USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 482 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 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 25 SER OG : rot 93:sc= 0.0858 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.0799 X(o=0.17,f=0.0051) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.072 (180deg=0) USER MOD Single : A 2 SER OG : rot 8:sc= 1.01 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.142 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 59:sc= 0.175 USER MOD Single : A 13 ASN : amide:sc= -6.71! C(o=-6.7!,f=-8.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.15! C(o=-2.1!,f=-2.1!) USER MOD Single : A 37 ASN : amide:sc= -3.54! C(o=-3.5!,f=-7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 46:sc= 0.295 USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 1.33 (180deg=-0.0892) USER MOD Single : A 67 SER OG : rot -120:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 41:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.804 -26.350 8.631 1.00 0.00 N ATOM 2 CA GLY A 1 2.920 -26.440 7.709 1.00 0.00 C ATOM 3 C GLY A 1 3.370 -25.082 7.208 1.00 0.00 C ATOM 4 O GLY A 1 2.644 -24.095 7.334 1.00 0.00 O ATOM 0 H1 GLY A 1 2.121 -26.613 9.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.441 -25.375 8.643 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.049 -26.997 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.755 -26.937 8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.636 -27.061 6.860 1.00 0.00 H new ATOM 8 N SER A 2 4.570 -25.029 6.640 1.00 0.00 N ATOM 9 CA SER A 2 5.118 -23.781 6.124 1.00 0.00 C ATOM 10 C SER A 2 4.122 -23.094 5.194 1.00 0.00 C ATOM 11 O SER A 2 3.778 -23.622 4.137 1.00 0.00 O ATOM 12 CB SER A 2 6.429 -24.043 5.381 1.00 0.00 C ATOM 13 OG SER A 2 6.191 -24.649 4.123 1.00 0.00 O ATOM 0 H SER A 2 5.182 -25.837 6.525 1.00 0.00 H new ATOM 0 HA SER A 2 5.314 -23.122 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.964 -23.104 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.069 -24.688 5.983 1.00 0.00 H new ATOM 0 HG SER A 2 5.228 -24.658 3.941 1.00 0.00 H new ATOM 19 N SER A 3 3.663 -21.913 5.597 1.00 0.00 N ATOM 20 CA SER A 3 2.704 -21.155 4.802 1.00 0.00 C ATOM 21 C SER A 3 2.867 -19.657 5.039 1.00 0.00 C ATOM 22 O SER A 3 3.424 -19.233 6.051 1.00 0.00 O ATOM 23 CB SER A 3 1.275 -21.584 5.143 1.00 0.00 C ATOM 24 OG SER A 3 0.342 -21.005 4.248 1.00 0.00 O ATOM 0 H SER A 3 3.940 -21.461 6.469 1.00 0.00 H new ATOM 0 HA SER A 3 2.897 -21.362 3.749 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.198 -22.670 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.037 -21.287 6.164 1.00 0.00 H new ATOM 0 HG SER A 3 -0.563 -21.296 4.486 1.00 0.00 H new ATOM 30 N GLY A 4 2.375 -18.858 4.096 1.00 0.00 N ATOM 31 CA GLY A 4 2.475 -17.416 4.220 1.00 0.00 C ATOM 32 C GLY A 4 3.579 -16.836 3.358 1.00 0.00 C ATOM 33 O GLY A 4 3.864 -17.347 2.275 1.00 0.00 O ATOM 0 H GLY A 4 1.909 -19.184 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.524 -16.963 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.657 -17.156 5.263 1.00 0.00 H new ATOM 37 N SER A 5 4.202 -15.764 3.838 1.00 0.00 N ATOM 38 CA SER A 5 5.277 -15.110 3.102 1.00 0.00 C ATOM 39 C SER A 5 6.158 -14.290 4.039 1.00 0.00 C ATOM 40 O SER A 5 5.663 -13.475 4.819 1.00 0.00 O ATOM 41 CB SER A 5 4.701 -14.210 2.007 1.00 0.00 C ATOM 42 OG SER A 5 3.971 -13.131 2.566 1.00 0.00 O ATOM 0 H SER A 5 3.980 -15.330 4.734 1.00 0.00 H new ATOM 0 HA SER A 5 5.890 -15.884 2.641 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.510 -13.824 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.051 -14.794 1.356 1.00 0.00 H new ATOM 0 HG SER A 5 4.258 -12.986 3.492 1.00 0.00 H new ATOM 48 N SER A 6 7.466 -14.511 3.958 1.00 0.00 N ATOM 49 CA SER A 6 8.416 -13.796 4.801 1.00 0.00 C ATOM 50 C SER A 6 9.378 -12.968 3.954 1.00 0.00 C ATOM 51 O SER A 6 10.413 -13.461 3.509 1.00 0.00 O ATOM 52 CB SER A 6 9.202 -14.781 5.669 1.00 0.00 C ATOM 53 OG SER A 6 9.951 -14.101 6.661 1.00 0.00 O ATOM 0 H SER A 6 7.892 -15.180 3.317 1.00 0.00 H new ATOM 0 HA SER A 6 7.854 -13.121 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.514 -15.481 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.872 -15.369 5.042 1.00 0.00 H new ATOM 0 HG SER A 6 10.443 -14.752 7.203 1.00 0.00 H new ATOM 59 N GLY A 7 9.027 -11.704 3.736 1.00 0.00 N ATOM 60 CA GLY A 7 9.868 -10.827 2.943 1.00 0.00 C ATOM 61 C GLY A 7 9.112 -9.628 2.405 1.00 0.00 C ATOM 62 O GLY A 7 8.239 -9.081 3.081 1.00 0.00 O ATOM 0 H GLY A 7 8.175 -11.272 4.095 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.704 -10.482 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.291 -11.389 2.110 1.00 0.00 H new ATOM 66 N CYS A 8 9.447 -9.218 1.187 1.00 0.00 N ATOM 67 CA CYS A 8 8.795 -8.075 0.559 1.00 0.00 C ATOM 68 C CYS A 8 7.709 -8.533 -0.410 1.00 0.00 C ATOM 69 O CYS A 8 8.000 -8.974 -1.522 1.00 0.00 O ATOM 70 CB CYS A 8 9.824 -7.217 -0.180 1.00 0.00 C ATOM 71 SG CYS A 8 9.109 -6.136 -1.460 1.00 0.00 S ATOM 0 H CYS A 8 10.166 -9.660 0.615 1.00 0.00 H new ATOM 0 HA CYS A 8 8.330 -7.478 1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.356 -6.601 0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.562 -7.872 -0.643 1.00 0.00 H new ATOM 76 N ALA A 9 6.456 -8.426 0.020 1.00 0.00 N ATOM 77 CA ALA A 9 5.326 -8.826 -0.809 1.00 0.00 C ATOM 78 C ALA A 9 5.473 -8.296 -2.231 1.00 0.00 C ATOM 79 O ALA A 9 4.885 -8.834 -3.168 1.00 0.00 O ATOM 80 CB ALA A 9 4.022 -8.340 -0.194 1.00 0.00 C ATOM 0 H ALA A 9 6.198 -8.065 0.939 1.00 0.00 H new ATOM 0 HA ALA A 9 5.309 -9.915 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.187 -8.646 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.905 -8.773 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.039 -7.253 -0.117 1.00 0.00 H new ATOM 86 N GLY A 10 6.262 -7.237 -2.384 1.00 0.00 N ATOM 87 CA GLY A 10 6.472 -6.651 -3.695 1.00 0.00 C ATOM 88 C GLY A 10 7.271 -7.555 -4.613 1.00 0.00 C ATOM 89 O GLY A 10 6.702 -8.329 -5.384 1.00 0.00 O ATOM 0 H GLY A 10 6.760 -6.774 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.506 -6.436 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.992 -5.699 -3.585 1.00 0.00 H new ATOM 93 N CYS A 11 8.594 -7.457 -4.533 1.00 0.00 N ATOM 94 CA CYS A 11 9.473 -8.270 -5.364 1.00 0.00 C ATOM 95 C CYS A 11 9.734 -9.626 -4.715 1.00 0.00 C ATOM 96 O CYS A 11 10.689 -10.321 -5.064 1.00 0.00 O ATOM 97 CB CYS A 11 10.798 -7.543 -5.603 1.00 0.00 C ATOM 98 SG CYS A 11 11.646 -7.021 -4.078 1.00 0.00 S ATOM 0 H CYS A 11 9.081 -6.822 -3.900 1.00 0.00 H new ATOM 0 HA CYS A 11 8.978 -8.434 -6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.462 -8.197 -6.169 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.612 -6.665 -6.221 1.00 0.00 H new ATOM 103 N THR A 12 8.878 -9.998 -3.768 1.00 0.00 N ATOM 104 CA THR A 12 9.015 -11.269 -3.070 1.00 0.00 C ATOM 105 C THR A 12 10.476 -11.571 -2.759 1.00 0.00 C ATOM 106 O THR A 12 10.993 -12.626 -3.122 1.00 0.00 O ATOM 107 CB THR A 12 8.428 -12.430 -3.896 1.00 0.00 C ATOM 108 OG1 THR A 12 9.135 -12.557 -5.134 1.00 0.00 O ATOM 109 CG2 THR A 12 6.949 -12.203 -4.172 1.00 0.00 C ATOM 0 H THR A 12 8.082 -9.436 -3.467 1.00 0.00 H new ATOM 0 HA THR A 12 8.459 -11.178 -2.137 1.00 0.00 H new ATOM 0 HB THR A 12 8.538 -13.349 -3.320 1.00 0.00 H new ATOM 0 HG1 THR A 12 10.085 -12.714 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.556 -13.035 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.409 -12.136 -3.228 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.821 -11.275 -4.730 1.00 0.00 H new ATOM 117 N ASN A 13 11.137 -10.636 -2.083 1.00 0.00 N ATOM 118 CA ASN A 13 12.541 -10.803 -1.723 1.00 0.00 C ATOM 119 C ASN A 13 12.748 -10.585 -0.227 1.00 0.00 C ATOM 120 O ASN A 13 11.952 -9.929 0.446 1.00 0.00 O ATOM 121 CB ASN A 13 13.412 -9.828 -2.517 1.00 0.00 C ATOM 122 CG ASN A 13 14.519 -9.223 -1.675 1.00 0.00 C ATOM 123 OD1 ASN A 13 14.260 -8.598 -0.647 1.00 0.00 O ATOM 124 ND2 ASN A 13 15.760 -9.407 -2.109 1.00 0.00 N ATOM 0 H ASN A 13 10.724 -9.756 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 13 12.834 -11.824 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.850 -10.348 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.787 -9.030 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.546 -9.023 -1.584 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.928 -9.932 -2.967 1.00 0.00 H new ATOM 131 N PRO A 14 13.843 -11.146 0.307 1.00 0.00 N ATOM 132 CA PRO A 14 14.181 -11.025 1.728 1.00 0.00 C ATOM 133 C PRO A 14 14.603 -9.610 2.106 1.00 0.00 C ATOM 134 O PRO A 14 15.596 -9.091 1.594 1.00 0.00 O ATOM 135 CB PRO A 14 15.353 -11.996 1.897 1.00 0.00 C ATOM 136 CG PRO A 14 15.967 -12.087 0.543 1.00 0.00 C ATOM 137 CD PRO A 14 14.835 -11.941 -0.436 1.00 0.00 C ATOM 0 HA PRO A 14 13.329 -11.247 2.370 1.00 0.00 H new ATOM 0 HB2 PRO A 14 16.069 -11.629 2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.012 -12.972 2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 14 16.711 -11.304 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.478 -13.041 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 14 15.154 -11.435 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.433 -12.910 -0.733 1.00 0.00 H new ATOM 145 N ILE A 15 13.844 -8.990 3.003 1.00 0.00 N ATOM 146 CA ILE A 15 14.141 -7.635 3.450 1.00 0.00 C ATOM 147 C ILE A 15 15.198 -7.638 4.549 1.00 0.00 C ATOM 148 O ILE A 15 16.160 -6.871 4.501 1.00 0.00 O ATOM 149 CB ILE A 15 12.878 -6.924 3.970 1.00 0.00 C ATOM 150 CG1 ILE A 15 11.801 -6.892 2.884 1.00 0.00 C ATOM 151 CG2 ILE A 15 13.216 -5.514 4.431 1.00 0.00 C ATOM 152 CD1 ILE A 15 10.414 -6.605 3.416 1.00 0.00 C ATOM 0 H ILE A 15 13.018 -9.405 3.435 1.00 0.00 H new ATOM 0 HA ILE A 15 14.522 -7.094 2.584 1.00 0.00 H new ATOM 0 HB ILE A 15 12.490 -7.481 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.063 -6.133 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.791 -7.851 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.313 -5.024 4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 15 13.953 -5.560 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.624 -4.946 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.702 -6.598 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.132 -7.377 4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.408 -5.633 3.910 1.00 0.00 H new ATOM 164 N SER A 16 15.014 -8.507 5.537 1.00 0.00 N ATOM 165 CA SER A 16 15.951 -8.609 6.650 1.00 0.00 C ATOM 166 C SER A 16 17.389 -8.668 6.146 1.00 0.00 C ATOM 167 O SER A 16 17.665 -9.227 5.085 1.00 0.00 O ATOM 168 CB SER A 16 15.643 -9.848 7.492 1.00 0.00 C ATOM 169 OG SER A 16 16.324 -9.804 8.734 1.00 0.00 O ATOM 0 H SER A 16 14.225 -9.151 5.590 1.00 0.00 H new ATOM 0 HA SER A 16 15.838 -7.720 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.569 -9.916 7.665 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.935 -10.745 6.945 1.00 0.00 H new ATOM 0 HG SER A 16 16.109 -10.606 9.254 1.00 0.00 H new ATOM 175 N GLY A 17 18.304 -8.085 6.915 1.00 0.00 N ATOM 176 CA GLY A 17 19.704 -8.081 6.530 1.00 0.00 C ATOM 177 C GLY A 17 20.627 -7.821 7.704 1.00 0.00 C ATOM 178 O GLY A 17 21.173 -8.754 8.293 1.00 0.00 O ATOM 0 H GLY A 17 18.101 -7.616 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 17 19.956 -9.041 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.866 -7.318 5.768 1.00 0.00 H new ATOM 182 N LEU A 18 20.803 -6.549 8.044 1.00 0.00 N ATOM 183 CA LEU A 18 21.669 -6.167 9.155 1.00 0.00 C ATOM 184 C LEU A 18 20.849 -5.637 10.327 1.00 0.00 C ATOM 185 O LEU A 18 21.010 -6.082 11.463 1.00 0.00 O ATOM 186 CB LEU A 18 22.675 -5.108 8.702 1.00 0.00 C ATOM 187 CG LEU A 18 23.790 -4.774 9.694 1.00 0.00 C ATOM 188 CD1 LEU A 18 24.779 -5.925 9.792 1.00 0.00 C ATOM 189 CD2 LEU A 18 24.500 -3.492 9.287 1.00 0.00 C ATOM 0 H LEU A 18 20.358 -5.765 7.567 1.00 0.00 H new ATOM 0 HA LEU A 18 22.209 -7.055 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 18 23.132 -5.445 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.130 -4.191 8.476 1.00 0.00 H new ATOM 0 HG LEU A 18 23.343 -4.621 10.676 1.00 0.00 H new ATOM 0 HD11 LEU A 18 25.565 -5.670 10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 18 24.261 -6.822 10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 25.221 -6.110 8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 18 25.290 -3.270 10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 18 24.935 -3.616 8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 18 23.785 -2.670 9.269 1.00 0.00 H new ATOM 201 N GLY A 19 19.966 -4.685 10.043 1.00 0.00 N ATOM 202 CA GLY A 19 19.132 -4.112 11.083 1.00 0.00 C ATOM 203 C GLY A 19 18.835 -2.644 10.846 1.00 0.00 C ATOM 204 O GLY A 19 19.730 -1.869 10.512 1.00 0.00 O ATOM 0 H GLY A 19 19.813 -4.300 9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.194 -4.665 11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 19 19.628 -4.228 12.047 1.00 0.00 H new ATOM 208 N GLY A 20 17.574 -2.261 11.018 1.00 0.00 N ATOM 209 CA GLY A 20 17.184 -0.878 10.814 1.00 0.00 C ATOM 210 C GLY A 20 17.251 -0.466 9.357 1.00 0.00 C ATOM 211 O GLY A 20 17.991 0.450 8.996 1.00 0.00 O ATOM 0 H GLY A 20 16.815 -2.884 11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 20 16.169 -0.732 11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.834 -0.230 11.402 1.00 0.00 H new ATOM 215 N THR A 21 16.477 -1.144 8.515 1.00 0.00 N ATOM 216 CA THR A 21 16.453 -0.845 7.089 1.00 0.00 C ATOM 217 C THR A 21 15.276 0.056 6.735 1.00 0.00 C ATOM 218 O THR A 21 14.254 0.058 7.423 1.00 0.00 O ATOM 219 CB THR A 21 16.372 -2.132 6.247 1.00 0.00 C ATOM 220 OG1 THR A 21 17.383 -3.056 6.665 1.00 0.00 O ATOM 221 CG2 THR A 21 16.542 -1.822 4.767 1.00 0.00 C ATOM 0 H THR A 21 15.858 -1.904 8.797 1.00 0.00 H new ATOM 0 HA THR A 21 17.384 -0.327 6.859 1.00 0.00 H new ATOM 0 HB THR A 21 15.389 -2.577 6.398 1.00 0.00 H new ATOM 0 HG1 THR A 21 17.323 -3.872 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.481 -2.746 4.192 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.754 -1.142 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.513 -1.356 4.602 1.00 0.00 H new ATOM 229 N LYS A 22 15.423 0.820 5.659 1.00 0.00 N ATOM 230 CA LYS A 22 14.371 1.725 5.212 1.00 0.00 C ATOM 231 C LYS A 22 13.340 0.984 4.366 1.00 0.00 C ATOM 232 O LYS A 22 13.221 1.223 3.164 1.00 0.00 O ATOM 233 CB LYS A 22 14.971 2.880 4.407 1.00 0.00 C ATOM 234 CG LYS A 22 15.956 3.724 5.196 1.00 0.00 C ATOM 235 CD LYS A 22 16.195 5.070 4.532 1.00 0.00 C ATOM 236 CE LYS A 22 15.027 6.018 4.758 1.00 0.00 C ATOM 237 NZ LYS A 22 15.114 7.223 3.887 1.00 0.00 N ATOM 0 H LYS A 22 16.262 0.831 5.079 1.00 0.00 H new ATOM 0 HA LYS A 22 13.872 2.126 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.474 2.477 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.164 3.519 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.577 3.878 6.206 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.902 3.190 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.108 5.515 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.347 4.927 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.091 5.495 4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.006 6.326 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.300 7.844 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.995 7.737 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.108 6.931 2.889 1.00 0.00 H new ATOM 251 N TYR A 23 12.596 0.086 5.002 1.00 0.00 N ATOM 252 CA TYR A 23 11.575 -0.690 4.308 1.00 0.00 C ATOM 253 C TYR A 23 10.219 -0.543 4.992 1.00 0.00 C ATOM 254 O TYR A 23 10.117 0.041 6.071 1.00 0.00 O ATOM 255 CB TYR A 23 11.974 -2.166 4.256 1.00 0.00 C ATOM 256 CG TYR A 23 11.745 -2.902 5.557 1.00 0.00 C ATOM 257 CD1 TYR A 23 12.593 -2.717 6.641 1.00 0.00 C ATOM 258 CD2 TYR A 23 10.679 -3.782 5.701 1.00 0.00 C ATOM 259 CE1 TYR A 23 12.388 -3.387 7.831 1.00 0.00 C ATOM 260 CE2 TYR A 23 10.465 -4.455 6.888 1.00 0.00 C ATOM 261 CZ TYR A 23 11.323 -4.255 7.950 1.00 0.00 C ATOM 262 OH TYR A 23 11.114 -4.924 9.134 1.00 0.00 O ATOM 0 H TYR A 23 12.681 -0.123 5.997 1.00 0.00 H new ATOM 0 HA TYR A 23 11.492 -0.306 3.291 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.408 -2.659 3.465 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.028 -2.239 3.987 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.427 -2.037 6.552 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.007 -3.942 4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.058 -3.232 8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.631 -5.134 6.984 1.00 0.00 H new ATOM 0 HH TYR A 23 10.322 -5.495 9.052 1.00 0.00 H new ATOM 272 N ILE A 24 9.182 -1.076 4.355 1.00 0.00 N ATOM 273 CA ILE A 24 7.833 -1.006 4.902 1.00 0.00 C ATOM 274 C ILE A 24 7.437 -2.323 5.561 1.00 0.00 C ATOM 275 O ILE A 24 7.652 -3.398 5.001 1.00 0.00 O ATOM 276 CB ILE A 24 6.801 -0.659 3.812 1.00 0.00 C ATOM 277 CG1 ILE A 24 7.312 0.491 2.943 1.00 0.00 C ATOM 278 CG2 ILE A 24 5.464 -0.300 4.444 1.00 0.00 C ATOM 279 CD1 ILE A 24 7.188 1.848 3.601 1.00 0.00 C ATOM 0 H ILE A 24 9.250 -1.561 3.460 1.00 0.00 H new ATOM 0 HA ILE A 24 7.837 -0.215 5.652 1.00 0.00 H new ATOM 0 HB ILE A 24 6.657 -1.533 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.358 0.311 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.759 0.500 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.745 -0.057 3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.097 -1.147 5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.591 0.561 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.570 2.615 2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.140 2.050 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.765 1.858 4.526 1.00 0.00 H new ATOM 291 N SER A 25 6.856 -2.231 6.752 1.00 0.00 N ATOM 292 CA SER A 25 6.431 -3.416 7.489 1.00 0.00 C ATOM 293 C SER A 25 5.019 -3.238 8.037 1.00 0.00 C ATOM 294 O SER A 25 4.685 -2.193 8.598 1.00 0.00 O ATOM 295 CB SER A 25 7.403 -3.706 8.634 1.00 0.00 C ATOM 296 OG SER A 25 6.877 -4.686 9.513 1.00 0.00 O ATOM 0 H SER A 25 6.668 -1.349 7.228 1.00 0.00 H new ATOM 0 HA SER A 25 6.430 -4.261 6.800 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.355 -4.049 8.229 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.604 -2.788 9.186 1.00 0.00 H new ATOM 0 HG SER A 25 7.194 -5.573 9.241 1.00 0.00 H new ATOM 302 N PHE A 26 4.192 -4.265 7.872 1.00 0.00 N ATOM 303 CA PHE A 26 2.815 -4.223 8.349 1.00 0.00 C ATOM 304 C PHE A 26 2.544 -5.359 9.330 1.00 0.00 C ATOM 305 O PHE A 26 3.405 -6.205 9.568 1.00 0.00 O ATOM 306 CB PHE A 26 1.842 -4.308 7.171 1.00 0.00 C ATOM 307 CG PHE A 26 0.441 -3.894 7.520 1.00 0.00 C ATOM 308 CD1 PHE A 26 0.173 -2.607 7.958 1.00 0.00 C ATOM 309 CD2 PHE A 26 -0.609 -4.792 7.410 1.00 0.00 C ATOM 310 CE1 PHE A 26 -1.115 -2.223 8.280 1.00 0.00 C ATOM 311 CE2 PHE A 26 -1.899 -4.413 7.730 1.00 0.00 C ATOM 312 CZ PHE A 26 -2.152 -3.127 8.166 1.00 0.00 C ATOM 0 H PHE A 26 4.452 -5.137 7.411 1.00 0.00 H new ATOM 0 HA PHE A 26 2.665 -3.276 8.867 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.208 -3.676 6.361 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.827 -5.331 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.980 -1.895 8.049 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.417 -5.799 7.070 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.310 -1.217 8.620 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.709 -5.122 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.159 -2.829 8.417 1.00 0.00 H new ATOM 322 N GLU A 27 1.341 -5.371 9.896 1.00 0.00 N ATOM 323 CA GLU A 27 0.957 -6.402 10.853 1.00 0.00 C ATOM 324 C GLU A 27 1.605 -7.738 10.501 1.00 0.00 C ATOM 325 O GLU A 27 2.193 -8.399 11.357 1.00 0.00 O ATOM 326 CB GLU A 27 -0.565 -6.555 10.888 1.00 0.00 C ATOM 327 CG GLU A 27 -1.286 -5.338 11.442 1.00 0.00 C ATOM 328 CD GLU A 27 -1.439 -5.386 12.950 1.00 0.00 C ATOM 329 OE1 GLU A 27 -1.719 -6.481 13.482 1.00 0.00 O ATOM 330 OE2 GLU A 27 -1.278 -4.331 13.598 1.00 0.00 O ATOM 0 H GLU A 27 0.616 -4.679 9.708 1.00 0.00 H new ATOM 0 HA GLU A 27 1.307 -6.096 11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.925 -6.752 9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.821 -7.425 11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.737 -4.438 11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.272 -5.264 10.983 1.00 0.00 H new ATOM 337 N GLU A 28 1.492 -8.129 9.235 1.00 0.00 N ATOM 338 CA GLU A 28 2.066 -9.387 8.771 1.00 0.00 C ATOM 339 C GLU A 28 2.799 -9.195 7.447 1.00 0.00 C ATOM 340 O GLU A 28 3.907 -9.698 7.259 1.00 0.00 O ATOM 341 CB GLU A 28 0.971 -10.444 8.612 1.00 0.00 C ATOM 342 CG GLU A 28 0.352 -10.883 9.928 1.00 0.00 C ATOM 343 CD GLU A 28 -0.153 -12.312 9.888 1.00 0.00 C ATOM 344 OE1 GLU A 28 0.680 -13.233 9.754 1.00 0.00 O ATOM 345 OE2 GLU A 28 -1.382 -12.509 9.990 1.00 0.00 O ATOM 0 H GLU A 28 1.009 -7.594 8.514 1.00 0.00 H new ATOM 0 HA GLU A 28 2.784 -9.727 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.187 -10.049 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.390 -11.316 8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.091 -10.785 10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.474 -10.217 10.177 1.00 0.00 H new ATOM 352 N ARG A 29 2.172 -8.463 6.531 1.00 0.00 N ATOM 353 CA ARG A 29 2.764 -8.205 5.224 1.00 0.00 C ATOM 354 C ARG A 29 3.822 -7.109 5.312 1.00 0.00 C ATOM 355 O ARG A 29 3.887 -6.375 6.297 1.00 0.00 O ATOM 356 CB ARG A 29 1.680 -7.803 4.221 1.00 0.00 C ATOM 357 CG ARG A 29 0.819 -8.966 3.756 1.00 0.00 C ATOM 358 CD ARG A 29 0.287 -8.738 2.350 1.00 0.00 C ATOM 359 NE ARG A 29 -0.669 -9.768 1.953 1.00 0.00 N ATOM 360 CZ ARG A 29 -0.937 -10.074 0.688 1.00 0.00 C ATOM 361 NH1 ARG A 29 -0.324 -9.431 -0.297 1.00 0.00 N ATOM 362 NH2 ARG A 29 -1.819 -11.024 0.406 1.00 0.00 N ATOM 0 H ARG A 29 1.255 -8.039 6.670 1.00 0.00 H new ATOM 0 HA ARG A 29 3.244 -9.122 4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.040 -7.047 4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.152 -7.342 3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.404 -9.886 3.780 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.015 -9.101 4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.191 -7.760 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.119 -8.724 1.646 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.158 -10.281 2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.355 -8.700 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.531 -9.668 -1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.292 -11.521 1.161 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.024 -11.258 -0.566 1.00 0.00 H new ATOM 376 N GLN A 30 4.648 -7.006 4.276 1.00 0.00 N ATOM 377 CA GLN A 30 5.703 -6.001 4.238 1.00 0.00 C ATOM 378 C GLN A 30 6.065 -5.646 2.799 1.00 0.00 C ATOM 379 O GLN A 30 5.694 -6.354 1.863 1.00 0.00 O ATOM 380 CB GLN A 30 6.943 -6.505 4.978 1.00 0.00 C ATOM 381 CG GLN A 30 6.640 -7.077 6.354 1.00 0.00 C ATOM 382 CD GLN A 30 7.877 -7.614 7.048 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.379 -7.014 7.999 1.00 0.00 O ATOM 384 NE2 GLN A 30 8.375 -8.750 6.574 1.00 0.00 N ATOM 0 H GLN A 30 4.607 -7.606 3.452 1.00 0.00 H new ATOM 0 HA GLN A 30 5.333 -5.103 4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.430 -7.271 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.652 -5.684 5.083 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.188 -6.303 6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.906 -7.877 6.257 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.926 -9.213 5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.206 -9.159 7.000 1.00 0.00 H new ATOM 393 N TRP A 31 6.789 -4.545 2.632 1.00 0.00 N ATOM 394 CA TRP A 31 7.200 -4.096 1.306 1.00 0.00 C ATOM 395 C TRP A 31 8.463 -3.246 1.387 1.00 0.00 C ATOM 396 O TRP A 31 8.969 -2.970 2.476 1.00 0.00 O ATOM 397 CB TRP A 31 6.075 -3.298 0.645 1.00 0.00 C ATOM 398 CG TRP A 31 4.814 -4.086 0.465 1.00 0.00 C ATOM 399 CD1 TRP A 31 4.446 -4.804 -0.638 1.00 0.00 C ATOM 400 CD2 TRP A 31 3.753 -4.235 1.415 1.00 0.00 C ATOM 401 NE1 TRP A 31 3.221 -5.390 -0.430 1.00 0.00 N ATOM 402 CE2 TRP A 31 2.775 -5.057 0.822 1.00 0.00 C ATOM 403 CE3 TRP A 31 3.536 -3.756 2.709 1.00 0.00 C ATOM 404 CZ2 TRP A 31 1.599 -5.408 1.480 1.00 0.00 C ATOM 405 CZ3 TRP A 31 2.368 -4.104 3.361 1.00 0.00 C ATOM 406 CH2 TRP A 31 1.412 -4.924 2.746 1.00 0.00 C ATOM 0 H TRP A 31 7.103 -3.947 3.397 1.00 0.00 H new ATOM 0 HA TRP A 31 7.416 -4.977 0.701 1.00 0.00 H new ATOM 0 HB2 TRP A 31 5.861 -2.417 1.250 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.415 -2.942 -0.328 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.032 -4.897 -1.540 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.724 -5.978 -1.099 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.268 -3.125 3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 0.861 -6.040 1.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 2.189 -3.738 4.361 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.510 -5.179 3.282 1.00 0.00 H new ATOM 417 N HIS A 32 8.969 -2.832 0.230 1.00 0.00 N ATOM 418 CA HIS A 32 10.174 -2.013 0.171 1.00 0.00 C ATOM 419 C HIS A 32 9.820 -0.537 0.009 1.00 0.00 C ATOM 420 O HIS A 32 8.703 -0.196 -0.379 1.00 0.00 O ATOM 421 CB HIS A 32 11.067 -2.464 -0.985 1.00 0.00 C ATOM 422 CG HIS A 32 11.895 -3.671 -0.665 1.00 0.00 C ATOM 423 ND1 HIS A 32 12.254 -4.609 -1.611 1.00 0.00 N ATOM 424 CD2 HIS A 32 12.435 -4.091 0.503 1.00 0.00 C ATOM 425 CE1 HIS A 32 12.978 -5.554 -1.037 1.00 0.00 C ATOM 426 NE2 HIS A 32 13.103 -5.262 0.245 1.00 0.00 N ATOM 0 H HIS A 32 8.563 -3.050 -0.680 1.00 0.00 H new ATOM 0 HA HIS A 32 10.715 -2.139 1.109 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.443 -2.681 -1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.728 -1.644 -1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.355 -3.597 1.460 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.396 -6.418 -1.532 1.00 0.00 H new ATOM 0 HE2 HIS A 32 13.613 -5.817 0.932 1.00 0.00 H new ATOM 434 N ASN A 33 10.779 0.333 0.309 1.00 0.00 N ATOM 435 CA ASN A 33 10.567 1.771 0.197 1.00 0.00 C ATOM 436 C ASN A 33 10.125 2.149 -1.213 1.00 0.00 C ATOM 437 O ASN A 33 9.501 3.190 -1.422 1.00 0.00 O ATOM 438 CB ASN A 33 11.848 2.526 0.562 1.00 0.00 C ATOM 439 CG ASN A 33 11.564 3.855 1.233 1.00 0.00 C ATOM 440 OD1 ASN A 33 11.584 4.905 0.591 1.00 0.00 O ATOM 441 ND2 ASN A 33 11.299 3.816 2.534 1.00 0.00 N ATOM 0 H ASN A 33 11.710 0.067 0.631 1.00 0.00 H new ATOM 0 HA ASN A 33 9.776 2.051 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 33 12.454 1.909 1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.436 2.696 -0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.101 4.679 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.293 2.923 3.027 1.00 0.00 H new ATOM 448 N ASP A 34 10.452 1.296 -2.178 1.00 0.00 N ATOM 449 CA ASP A 34 10.088 1.539 -3.569 1.00 0.00 C ATOM 450 C ASP A 34 8.927 0.643 -3.990 1.00 0.00 C ATOM 451 O ASP A 34 7.931 1.116 -4.539 1.00 0.00 O ATOM 452 CB ASP A 34 11.291 1.300 -4.483 1.00 0.00 C ATOM 453 CG ASP A 34 10.918 1.334 -5.952 1.00 0.00 C ATOM 454 OD1 ASP A 34 10.494 0.286 -6.481 1.00 0.00 O ATOM 455 OD2 ASP A 34 11.051 2.410 -6.573 1.00 0.00 O ATOM 0 H ASP A 34 10.968 0.430 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 34 9.774 2.579 -3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.049 2.058 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.737 0.334 -4.247 1.00 0.00 H new ATOM 460 N CYS A 35 9.062 -0.653 -3.732 1.00 0.00 N ATOM 461 CA CYS A 35 8.027 -1.617 -4.085 1.00 0.00 C ATOM 462 C CYS A 35 6.676 -1.200 -3.509 1.00 0.00 C ATOM 463 O CYS A 35 5.653 -1.260 -4.191 1.00 0.00 O ATOM 464 CB CYS A 35 8.402 -3.010 -3.577 1.00 0.00 C ATOM 465 SG CYS A 35 9.929 -3.682 -4.308 1.00 0.00 S ATOM 0 H CYS A 35 9.880 -1.061 -3.279 1.00 0.00 H new ATOM 0 HA CYS A 35 7.947 -1.644 -5.172 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.517 -2.971 -2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.580 -3.695 -3.786 1.00 0.00 H new ATOM 470 N PHE A 36 6.682 -0.776 -2.250 1.00 0.00 N ATOM 471 CA PHE A 36 5.459 -0.349 -1.581 1.00 0.00 C ATOM 472 C PHE A 36 4.729 0.707 -2.405 1.00 0.00 C ATOM 473 O PHE A 36 5.124 1.872 -2.431 1.00 0.00 O ATOM 474 CB PHE A 36 5.779 0.203 -0.190 1.00 0.00 C ATOM 475 CG PHE A 36 4.595 0.220 0.735 1.00 0.00 C ATOM 476 CD1 PHE A 36 3.801 -0.906 0.885 1.00 0.00 C ATOM 477 CD2 PHE A 36 4.278 1.361 1.454 1.00 0.00 C ATOM 478 CE1 PHE A 36 2.712 -0.892 1.735 1.00 0.00 C ATOM 479 CE2 PHE A 36 3.189 1.379 2.306 1.00 0.00 C ATOM 480 CZ PHE A 36 2.406 0.251 2.448 1.00 0.00 C ATOM 0 H PHE A 36 7.521 -0.719 -1.672 1.00 0.00 H new ATOM 0 HA PHE A 36 4.808 -1.217 -1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.571 -0.398 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.166 1.217 -0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.036 -1.803 0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.888 2.246 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.100 -1.775 1.842 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.951 2.275 2.860 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.556 0.262 3.115 1.00 0.00 H new ATOM 490 N ASN A 37 3.661 0.291 -3.077 1.00 0.00 N ATOM 491 CA ASN A 37 2.875 1.200 -3.904 1.00 0.00 C ATOM 492 C ASN A 37 1.441 0.702 -4.048 1.00 0.00 C ATOM 493 O ASN A 37 1.186 -0.503 -4.035 1.00 0.00 O ATOM 494 CB ASN A 37 3.517 1.351 -5.284 1.00 0.00 C ATOM 495 CG ASN A 37 4.907 1.952 -5.214 1.00 0.00 C ATOM 496 OD1 ASN A 37 5.117 2.987 -4.580 1.00 0.00 O ATOM 497 ND2 ASN A 37 5.865 1.304 -5.866 1.00 0.00 N ATOM 0 H ASN A 37 3.319 -0.670 -3.065 1.00 0.00 H new ATOM 0 HA ASN A 37 2.854 2.173 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.571 0.374 -5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.883 1.980 -5.909 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.821 1.660 -5.854 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.645 0.450 -6.378 1.00 0.00 H new ATOM 504 N CYS A 38 0.507 1.637 -4.187 1.00 0.00 N ATOM 505 CA CYS A 38 -0.903 1.294 -4.335 1.00 0.00 C ATOM 506 C CYS A 38 -1.082 0.137 -5.314 1.00 0.00 C ATOM 507 O CYS A 38 -0.149 -0.241 -6.023 1.00 0.00 O ATOM 508 CB CYS A 38 -1.697 2.511 -4.815 1.00 0.00 C ATOM 509 SG CYS A 38 -3.502 2.333 -4.648 1.00 0.00 S ATOM 0 H CYS A 38 0.701 2.638 -4.200 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.280 0.983 -3.361 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.375 3.387 -4.252 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -1.456 2.699 -5.861 1.00 0.00 H new ATOM 514 N LYS A 39 -2.287 -0.421 -5.347 1.00 0.00 N ATOM 515 CA LYS A 39 -2.591 -1.534 -6.239 1.00 0.00 C ATOM 516 C LYS A 39 -3.541 -1.097 -7.350 1.00 0.00 C ATOM 517 O LYS A 39 -3.721 -1.805 -8.341 1.00 0.00 O ATOM 518 CB LYS A 39 -3.208 -2.692 -5.452 1.00 0.00 C ATOM 519 CG LYS A 39 -3.186 -4.014 -6.198 1.00 0.00 C ATOM 520 CD LYS A 39 -4.473 -4.238 -6.974 1.00 0.00 C ATOM 521 CE LYS A 39 -4.230 -5.058 -8.232 1.00 0.00 C ATOM 522 NZ LYS A 39 -4.270 -6.521 -7.956 1.00 0.00 N ATOM 0 H LYS A 39 -3.070 -0.121 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.658 -1.868 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.671 -2.807 -4.510 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.239 -2.442 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.339 -4.032 -6.884 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.040 -4.830 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.197 -4.749 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.908 -3.276 -7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.983 -4.809 -8.979 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.261 -4.795 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.100 -7.045 -8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.535 -6.764 -7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.203 -6.777 -7.575 1.00 0.00 H new ATOM 536 N LYS A 40 -4.146 0.074 -7.178 1.00 0.00 N ATOM 537 CA LYS A 40 -5.075 0.607 -8.167 1.00 0.00 C ATOM 538 C LYS A 40 -4.398 1.660 -9.039 1.00 0.00 C ATOM 539 O LYS A 40 -4.599 1.699 -10.253 1.00 0.00 O ATOM 540 CB LYS A 40 -6.297 1.214 -7.473 1.00 0.00 C ATOM 541 CG LYS A 40 -7.588 1.044 -8.256 1.00 0.00 C ATOM 542 CD LYS A 40 -8.803 1.370 -7.404 1.00 0.00 C ATOM 543 CE LYS A 40 -10.005 0.528 -7.802 1.00 0.00 C ATOM 544 NZ LYS A 40 -10.679 1.062 -9.018 1.00 0.00 N ATOM 0 H LYS A 40 -4.009 0.672 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.397 -0.215 -8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.413 0.753 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.120 2.277 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.572 1.693 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.662 0.019 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.569 1.198 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.048 2.427 -7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.685 -0.498 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.716 0.497 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.493 0.460 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.007 2.032 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.008 1.067 -9.813 1.00 0.00 H new ATOM 558 N CYS A 41 -3.593 2.511 -8.412 1.00 0.00 N ATOM 559 CA CYS A 41 -2.884 3.564 -9.130 1.00 0.00 C ATOM 560 C CYS A 41 -1.374 3.365 -9.036 1.00 0.00 C ATOM 561 O CYS A 41 -0.607 4.011 -9.749 1.00 0.00 O ATOM 562 CB CYS A 41 -3.265 4.936 -8.572 1.00 0.00 C ATOM 563 SG CYS A 41 -2.645 5.252 -6.888 1.00 0.00 S ATOM 0 H CYS A 41 -3.415 2.492 -7.408 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.174 3.513 -10.179 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.881 5.707 -9.240 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.351 5.027 -8.571 1.00 0.00 H new ATOM 568 N SER A 42 -0.955 2.467 -8.150 1.00 0.00 N ATOM 569 CA SER A 42 0.463 2.185 -7.959 1.00 0.00 C ATOM 570 C SER A 42 1.226 3.456 -7.600 1.00 0.00 C ATOM 571 O SER A 42 2.288 3.736 -8.158 1.00 0.00 O ATOM 572 CB SER A 42 1.055 1.561 -9.224 1.00 0.00 C ATOM 573 OG SER A 42 0.947 0.148 -9.195 1.00 0.00 O ATOM 0 H SER A 42 -1.577 1.922 -7.553 1.00 0.00 H new ATOM 0 HA SER A 42 0.560 1.479 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.538 1.950 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.103 1.847 -9.318 1.00 0.00 H new ATOM 0 HG SER A 42 1.331 -0.226 -10.015 1.00 0.00 H new ATOM 579 N LEU A 43 0.677 4.224 -6.665 1.00 0.00 N ATOM 580 CA LEU A 43 1.304 5.467 -6.230 1.00 0.00 C ATOM 581 C LEU A 43 2.168 5.237 -4.994 1.00 0.00 C ATOM 582 O LEU A 43 1.945 4.295 -4.235 1.00 0.00 O ATOM 583 CB LEU A 43 0.238 6.522 -5.932 1.00 0.00 C ATOM 584 CG LEU A 43 0.735 7.811 -5.275 1.00 0.00 C ATOM 585 CD1 LEU A 43 1.573 8.620 -6.253 1.00 0.00 C ATOM 586 CD2 LEU A 43 -0.438 8.636 -4.765 1.00 0.00 C ATOM 0 H LEU A 43 -0.201 4.008 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 43 1.944 5.824 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.258 6.782 -6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.516 6.075 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 43 1.363 7.544 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.918 9.533 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.433 8.030 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.969 8.877 -7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.066 9.549 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.092 8.893 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.998 8.057 -4.030 1.00 0.00 H new ATOM 598 N SER A 44 3.155 6.106 -4.799 1.00 0.00 N ATOM 599 CA SER A 44 4.054 5.997 -3.655 1.00 0.00 C ATOM 600 C SER A 44 3.270 5.995 -2.346 1.00 0.00 C ATOM 601 O SER A 44 2.647 6.992 -1.980 1.00 0.00 O ATOM 602 CB SER A 44 5.059 7.150 -3.659 1.00 0.00 C ATOM 603 OG SER A 44 5.977 7.029 -2.586 1.00 0.00 O ATOM 0 H SER A 44 3.353 6.893 -5.418 1.00 0.00 H new ATOM 0 HA SER A 44 4.593 5.053 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.600 7.162 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.529 8.099 -3.583 1.00 0.00 H new ATOM 0 HG SER A 44 6.610 7.777 -2.611 1.00 0.00 H new ATOM 609 N LEU A 45 3.306 4.867 -1.645 1.00 0.00 N ATOM 610 CA LEU A 45 2.599 4.733 -0.376 1.00 0.00 C ATOM 611 C LEU A 45 3.562 4.863 0.800 1.00 0.00 C ATOM 612 O LEU A 45 3.148 5.121 1.930 1.00 0.00 O ATOM 613 CB LEU A 45 1.877 3.386 -0.312 1.00 0.00 C ATOM 614 CG LEU A 45 0.612 3.261 -1.161 1.00 0.00 C ATOM 615 CD1 LEU A 45 -0.022 1.891 -0.978 1.00 0.00 C ATOM 616 CD2 LEU A 45 -0.379 4.361 -0.806 1.00 0.00 C ATOM 0 H LEU A 45 3.817 4.033 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 45 1.864 5.536 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.575 2.607 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.614 3.186 0.727 1.00 0.00 H new ATOM 0 HG LEU A 45 0.889 3.373 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.921 1.821 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.685 1.119 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.285 1.749 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.274 4.257 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.650 4.281 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.076 5.334 -0.990 1.00 0.00 H new ATOM 628 N VAL A 46 4.851 4.684 0.525 1.00 0.00 N ATOM 629 CA VAL A 46 5.874 4.785 1.559 1.00 0.00 C ATOM 630 C VAL A 46 5.837 6.149 2.238 1.00 0.00 C ATOM 631 O VAL A 46 6.207 7.160 1.644 1.00 0.00 O ATOM 632 CB VAL A 46 7.282 4.550 0.981 1.00 0.00 C ATOM 633 CG1 VAL A 46 7.465 5.331 -0.311 1.00 0.00 C ATOM 634 CG2 VAL A 46 8.346 4.929 1.999 1.00 0.00 C ATOM 0 H VAL A 46 5.211 4.468 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 46 5.657 4.010 2.294 1.00 0.00 H new ATOM 0 HB VAL A 46 7.391 3.489 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.466 5.153 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.724 5.005 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.337 6.395 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.335 4.756 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.242 5.982 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.225 4.320 2.895 1.00 0.00 H new ATOM 644 N GLY A 47 5.387 6.170 3.489 1.00 0.00 N ATOM 645 CA GLY A 47 5.310 7.416 4.229 1.00 0.00 C ATOM 646 C GLY A 47 3.939 8.058 4.143 1.00 0.00 C ATOM 647 O GLY A 47 3.797 9.263 4.352 1.00 0.00 O ATOM 0 H GLY A 47 5.074 5.346 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.556 7.230 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.058 8.110 3.845 1.00 0.00 H new ATOM 651 N ARG A 48 2.929 7.253 3.831 1.00 0.00 N ATOM 652 CA ARG A 48 1.563 7.750 3.714 1.00 0.00 C ATOM 653 C ARG A 48 0.598 6.885 4.519 1.00 0.00 C ATOM 654 O ARG A 48 1.004 5.918 5.161 1.00 0.00 O ATOM 655 CB ARG A 48 1.134 7.782 2.246 1.00 0.00 C ATOM 656 CG ARG A 48 2.069 8.583 1.355 1.00 0.00 C ATOM 657 CD ARG A 48 1.384 9.002 0.063 1.00 0.00 C ATOM 658 NE ARG A 48 2.091 10.094 -0.601 1.00 0.00 N ATOM 659 CZ ARG A 48 2.015 11.362 -0.212 1.00 0.00 C ATOM 660 NH1 ARG A 48 1.268 11.696 0.832 1.00 0.00 N ATOM 661 NH2 ARG A 48 2.687 12.300 -0.868 1.00 0.00 N ATOM 0 H ARG A 48 3.031 6.254 3.655 1.00 0.00 H new ATOM 0 HA ARG A 48 1.536 8.763 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.076 6.760 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.131 8.204 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.413 9.468 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.952 7.987 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.324 8.146 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.361 9.310 0.278 1.00 0.00 H new ATOM 0 HE ARG A 48 2.675 9.871 -1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.750 10.978 1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.212 12.670 1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.262 12.048 -1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.628 13.273 -0.569 1.00 0.00 H new ATOM 675 N GLY A 49 -0.682 7.241 4.480 1.00 0.00 N ATOM 676 CA GLY A 49 -1.685 6.488 5.210 1.00 0.00 C ATOM 677 C GLY A 49 -2.324 5.404 4.366 1.00 0.00 C ATOM 678 O GLY A 49 -3.545 5.362 4.217 1.00 0.00 O ATOM 0 H GLY A 49 -1.043 8.038 3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.227 6.036 6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.458 7.169 5.567 1.00 0.00 H new ATOM 682 N PHE A 50 -1.497 4.524 3.809 1.00 0.00 N ATOM 683 CA PHE A 50 -1.989 3.436 2.973 1.00 0.00 C ATOM 684 C PHE A 50 -3.044 2.617 3.710 1.00 0.00 C ATOM 685 O PHE A 50 -3.016 2.506 4.937 1.00 0.00 O ATOM 686 CB PHE A 50 -0.832 2.530 2.545 1.00 0.00 C ATOM 687 CG PHE A 50 -0.151 1.845 3.695 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.898 2.457 4.362 1.00 0.00 C ATOM 689 CD2 PHE A 50 -0.559 0.587 4.109 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.527 1.829 5.420 1.00 0.00 C ATOM 691 CE2 PHE A 50 0.065 -0.046 5.168 1.00 0.00 C ATOM 692 CZ PHE A 50 1.110 0.576 5.823 1.00 0.00 C ATOM 0 H PHE A 50 -0.483 4.544 3.922 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.448 3.873 2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.208 1.776 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.098 3.124 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.228 3.437 4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.374 0.095 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.344 2.318 5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.264 -1.025 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.600 0.083 6.649 1.00 0.00 H new ATOM 702 N LEU A 51 -3.976 2.046 2.954 1.00 0.00 N ATOM 703 CA LEU A 51 -5.042 1.238 3.535 1.00 0.00 C ATOM 704 C LEU A 51 -4.738 -0.250 3.390 1.00 0.00 C ATOM 705 O LEU A 51 -3.672 -0.633 2.906 1.00 0.00 O ATOM 706 CB LEU A 51 -6.378 1.564 2.865 1.00 0.00 C ATOM 707 CG LEU A 51 -6.737 3.047 2.771 1.00 0.00 C ATOM 708 CD1 LEU A 51 -6.205 3.644 1.477 1.00 0.00 C ATOM 709 CD2 LEU A 51 -8.244 3.239 2.869 1.00 0.00 C ATOM 0 H LEU A 51 -4.015 2.128 1.938 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.107 1.475 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.367 1.149 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.170 1.053 3.412 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.270 3.568 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.470 4.700 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.120 3.540 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.643 3.120 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.481 4.301 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.733 2.705 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.599 2.849 3.823 1.00 0.00 H new ATOM 721 N THR A 52 -5.682 -1.086 3.811 1.00 0.00 N ATOM 722 CA THR A 52 -5.516 -2.531 3.727 1.00 0.00 C ATOM 723 C THR A 52 -6.725 -3.187 3.070 1.00 0.00 C ATOM 724 O THR A 52 -7.755 -3.395 3.711 1.00 0.00 O ATOM 725 CB THR A 52 -5.304 -3.154 5.120 1.00 0.00 C ATOM 726 OG1 THR A 52 -6.295 -2.666 6.031 1.00 0.00 O ATOM 727 CG2 THR A 52 -3.916 -2.830 5.652 1.00 0.00 C ATOM 0 H THR A 52 -6.570 -0.786 4.214 1.00 0.00 H new ATOM 0 HA THR A 52 -4.631 -2.712 3.117 1.00 0.00 H new ATOM 0 HB THR A 52 -5.397 -4.236 5.028 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.177 -2.701 5.605 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.789 -3.280 6.637 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.163 -3.228 4.971 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.799 -1.749 5.730 1.00 0.00 H new ATOM 735 N GLU A 53 -6.593 -3.510 1.787 1.00 0.00 N ATOM 736 CA GLU A 53 -7.676 -4.142 1.043 1.00 0.00 C ATOM 737 C GLU A 53 -7.764 -5.630 1.369 1.00 0.00 C ATOM 738 O GLU A 53 -6.838 -6.207 1.938 1.00 0.00 O ATOM 739 CB GLU A 53 -7.472 -3.949 -0.461 1.00 0.00 C ATOM 740 CG GLU A 53 -8.770 -3.873 -1.247 1.00 0.00 C ATOM 741 CD GLU A 53 -8.541 -3.748 -2.741 1.00 0.00 C ATOM 742 OE1 GLU A 53 -7.601 -3.028 -3.138 1.00 0.00 O ATOM 743 OE2 GLU A 53 -9.302 -4.369 -3.512 1.00 0.00 O ATOM 0 H GLU A 53 -5.747 -3.344 1.242 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.611 -3.667 1.339 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.902 -3.035 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.872 -4.773 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.364 -4.765 -1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.351 -3.019 -0.900 1.00 0.00 H new ATOM 750 N ARG A 54 -8.885 -6.244 1.005 1.00 0.00 N ATOM 751 CA ARG A 54 -9.096 -7.664 1.261 1.00 0.00 C ATOM 752 C ARG A 54 -7.783 -8.434 1.164 1.00 0.00 C ATOM 753 O ARG A 54 -7.253 -8.908 2.170 1.00 0.00 O ATOM 754 CB ARG A 54 -10.110 -8.237 0.269 1.00 0.00 C ATOM 755 CG ARG A 54 -11.520 -7.703 0.463 1.00 0.00 C ATOM 756 CD ARG A 54 -12.016 -7.942 1.880 1.00 0.00 C ATOM 757 NE ARG A 54 -13.465 -7.795 1.985 1.00 0.00 N ATOM 758 CZ ARG A 54 -14.110 -7.671 3.140 1.00 0.00 C ATOM 759 NH1 ARG A 54 -13.437 -7.676 4.282 1.00 0.00 N ATOM 760 NH2 ARG A 54 -15.430 -7.541 3.154 1.00 0.00 N ATOM 0 H ARG A 54 -9.661 -5.781 0.532 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.487 -7.772 2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.781 -8.011 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.125 -9.323 0.364 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.539 -6.635 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.194 -8.185 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.729 -8.944 2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.530 -7.239 2.557 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.012 -7.787 1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.422 -7.775 4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.934 -7.581 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.951 -7.536 2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.924 -7.446 4.041 1.00 0.00 H new ATOM 774 N ASP A 55 -7.263 -8.557 -0.053 1.00 0.00 N ATOM 775 CA ASP A 55 -6.011 -9.269 -0.281 1.00 0.00 C ATOM 776 C ASP A 55 -5.000 -8.376 -0.993 1.00 0.00 C ATOM 777 O ASP A 55 -4.106 -8.863 -1.686 1.00 0.00 O ATOM 778 CB ASP A 55 -6.262 -10.533 -1.104 1.00 0.00 C ATOM 779 CG ASP A 55 -6.730 -11.696 -0.251 1.00 0.00 C ATOM 780 OD1 ASP A 55 -7.916 -11.707 0.137 1.00 0.00 O ATOM 781 OD2 ASP A 55 -5.909 -12.595 0.029 1.00 0.00 O ATOM 0 H ASP A 55 -7.689 -8.173 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.600 -9.551 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.010 -10.323 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.345 -10.813 -1.623 1.00 0.00 H new ATOM 786 N ASP A 56 -5.147 -7.068 -0.818 1.00 0.00 N ATOM 787 CA ASP A 56 -4.246 -6.106 -1.443 1.00 0.00 C ATOM 788 C ASP A 56 -4.242 -4.787 -0.677 1.00 0.00 C ATOM 789 O ASP A 56 -5.004 -4.608 0.274 1.00 0.00 O ATOM 790 CB ASP A 56 -4.655 -5.864 -2.897 1.00 0.00 C ATOM 791 CG ASP A 56 -4.340 -7.047 -3.792 1.00 0.00 C ATOM 792 OD1 ASP A 56 -3.143 -7.292 -4.052 1.00 0.00 O ATOM 793 OD2 ASP A 56 -5.290 -7.728 -4.230 1.00 0.00 O ATOM 0 H ASP A 56 -5.882 -6.649 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.238 -6.521 -1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.724 -5.654 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.141 -4.980 -3.274 1.00 0.00 H new ATOM 798 N ILE A 57 -3.379 -3.868 -1.096 1.00 0.00 N ATOM 799 CA ILE A 57 -3.276 -2.567 -0.449 1.00 0.00 C ATOM 800 C ILE A 57 -3.677 -1.446 -1.401 1.00 0.00 C ATOM 801 O ILE A 57 -3.690 -1.626 -2.620 1.00 0.00 O ATOM 802 CB ILE A 57 -1.847 -2.303 0.062 1.00 0.00 C ATOM 803 CG1 ILE A 57 -0.825 -2.601 -1.037 1.00 0.00 C ATOM 804 CG2 ILE A 57 -1.563 -3.145 1.298 1.00 0.00 C ATOM 805 CD1 ILE A 57 0.578 -2.150 -0.697 1.00 0.00 C ATOM 0 H ILE A 57 -2.741 -4.001 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.960 -2.583 0.400 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.763 -1.251 0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.816 -3.673 -1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.142 -2.112 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.550 -2.948 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.274 -2.889 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.662 -4.202 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.248 -2.394 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.584 -1.073 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.915 -2.658 0.207 1.00 0.00 H new ATOM 817 N LEU A 58 -4.003 -0.287 -0.839 1.00 0.00 N ATOM 818 CA LEU A 58 -4.403 0.866 -1.638 1.00 0.00 C ATOM 819 C LEU A 58 -4.024 2.169 -0.942 1.00 0.00 C ATOM 820 O LEU A 58 -3.629 2.171 0.224 1.00 0.00 O ATOM 821 CB LEU A 58 -5.911 0.832 -1.898 1.00 0.00 C ATOM 822 CG LEU A 58 -6.455 -0.450 -2.527 1.00 0.00 C ATOM 823 CD1 LEU A 58 -7.923 -0.636 -2.176 1.00 0.00 C ATOM 824 CD2 LEU A 58 -6.265 -0.427 -4.037 1.00 0.00 C ATOM 0 H LEU A 58 -3.998 -0.121 0.167 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.875 0.818 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.426 0.995 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.166 1.669 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.896 -1.294 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.293 -1.554 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.033 -0.699 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.497 0.212 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.658 -1.348 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.797 0.426 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.203 -0.343 -4.269 1.00 0.00 H new ATOM 836 N CYS A 59 -4.149 3.277 -1.665 1.00 0.00 N ATOM 837 CA CYS A 59 -3.822 4.588 -1.117 1.00 0.00 C ATOM 838 C CYS A 59 -5.089 5.371 -0.785 1.00 0.00 C ATOM 839 O CYS A 59 -6.165 5.119 -1.329 1.00 0.00 O ATOM 840 CB CYS A 59 -2.967 5.379 -2.109 1.00 0.00 C ATOM 841 SG CYS A 59 -3.889 6.012 -3.547 1.00 0.00 S ATOM 0 H CYS A 59 -4.474 3.293 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.257 4.439 -0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.508 6.219 -1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.157 4.742 -2.463 1.00 0.00 H new ATOM 846 N PRO A 60 -4.961 6.343 0.130 1.00 0.00 N ATOM 847 CA PRO A 60 -6.085 7.183 0.555 1.00 0.00 C ATOM 848 C PRO A 60 -6.876 7.734 -0.626 1.00 0.00 C ATOM 849 O PRO A 60 -8.105 7.793 -0.588 1.00 0.00 O ATOM 850 CB PRO A 60 -5.406 8.321 1.323 1.00 0.00 C ATOM 851 CG PRO A 60 -4.127 7.737 1.814 1.00 0.00 C ATOM 852 CD PRO A 60 -3.709 6.698 0.819 1.00 0.00 C ATOM 0 HA PRO A 60 -6.811 6.625 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.226 9.182 0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.027 8.666 2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.363 8.508 1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.259 7.294 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.966 7.088 0.123 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.263 5.832 1.309 1.00 0.00 H new ATOM 860 N ASP A 61 -6.164 8.136 -1.673 1.00 0.00 N ATOM 861 CA ASP A 61 -6.801 8.681 -2.866 1.00 0.00 C ATOM 862 C ASP A 61 -7.752 7.663 -3.488 1.00 0.00 C ATOM 863 O ASP A 61 -8.807 8.022 -4.012 1.00 0.00 O ATOM 864 CB ASP A 61 -5.743 9.100 -3.888 1.00 0.00 C ATOM 865 CG ASP A 61 -4.714 10.046 -3.302 1.00 0.00 C ATOM 866 OD1 ASP A 61 -5.073 10.823 -2.392 1.00 0.00 O ATOM 867 OD2 ASP A 61 -3.550 10.011 -3.753 1.00 0.00 O ATOM 0 H ASP A 61 -5.146 8.095 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.378 9.557 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.240 8.212 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.231 9.579 -4.736 1.00 0.00 H new ATOM 872 N CYS A 62 -7.372 6.392 -3.427 1.00 0.00 N ATOM 873 CA CYS A 62 -8.189 5.321 -3.985 1.00 0.00 C ATOM 874 C CYS A 62 -9.178 4.795 -2.948 1.00 0.00 C ATOM 875 O CYS A 62 -10.388 4.805 -3.169 1.00 0.00 O ATOM 876 CB CYS A 62 -7.300 4.179 -4.483 1.00 0.00 C ATOM 877 SG CYS A 62 -6.326 4.589 -5.967 1.00 0.00 S ATOM 0 H CYS A 62 -6.502 6.078 -2.996 1.00 0.00 H new ATOM 0 HA CYS A 62 -8.752 5.727 -4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.619 3.888 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.926 3.313 -4.700 1.00 0.00 H new ATOM 882 N GLY A 63 -8.652 4.335 -1.817 1.00 0.00 N ATOM 883 CA GLY A 63 -9.502 3.812 -0.763 1.00 0.00 C ATOM 884 C GLY A 63 -10.699 4.701 -0.488 1.00 0.00 C ATOM 885 O GLY A 63 -11.801 4.212 -0.240 1.00 0.00 O ATOM 0 H GLY A 63 -7.653 4.315 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.849 2.817 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.917 3.703 0.150 1.00 0.00 H new ATOM 889 N LYS A 64 -10.483 6.011 -0.531 1.00 0.00 N ATOM 890 CA LYS A 64 -11.552 6.971 -0.285 1.00 0.00 C ATOM 891 C LYS A 64 -12.841 6.541 -0.977 1.00 0.00 C ATOM 892 O LYS A 64 -13.935 6.939 -0.577 1.00 0.00 O ATOM 893 CB LYS A 64 -11.139 8.362 -0.772 1.00 0.00 C ATOM 894 CG LYS A 64 -11.191 8.517 -2.282 1.00 0.00 C ATOM 895 CD LYS A 64 -10.695 9.886 -2.719 1.00 0.00 C ATOM 896 CE LYS A 64 -11.332 10.316 -4.032 1.00 0.00 C ATOM 897 NZ LYS A 64 -10.883 9.468 -5.171 1.00 0.00 N ATOM 0 H LYS A 64 -9.577 6.432 -0.734 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.732 7.007 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.792 9.106 -0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.126 8.573 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.583 7.742 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.214 8.372 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.921 10.620 -1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.611 9.863 -2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.417 10.261 -3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.081 11.357 -4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.777 10.057 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.970 9.028 -4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.589 8.725 -5.350 1.00 0.00 H new ATOM 911 N ASP A 65 -12.704 5.724 -2.016 1.00 0.00 N ATOM 912 CA ASP A 65 -13.859 5.237 -2.763 1.00 0.00 C ATOM 913 C ASP A 65 -14.483 4.029 -2.071 1.00 0.00 C ATOM 914 O ASP A 65 -15.163 3.221 -2.705 1.00 0.00 O ATOM 915 CB ASP A 65 -13.451 4.869 -4.190 1.00 0.00 C ATOM 916 CG ASP A 65 -13.457 6.065 -5.121 1.00 0.00 C ATOM 917 OD1 ASP A 65 -12.954 7.134 -4.717 1.00 0.00 O ATOM 918 OD2 ASP A 65 -13.965 5.932 -6.254 1.00 0.00 O ATOM 0 H ASP A 65 -11.806 5.385 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.601 6.035 -2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.455 4.427 -4.177 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.132 4.109 -4.575 1.00 0.00 H new ATOM 923 N ILE A 66 -14.246 3.912 -0.769 1.00 0.00 N ATOM 924 CA ILE A 66 -14.785 2.802 0.008 1.00 0.00 C ATOM 925 C ILE A 66 -15.401 3.294 1.314 1.00 0.00 C ATOM 926 O ILE A 66 -14.812 3.145 2.385 1.00 0.00 O ATOM 927 CB ILE A 66 -13.699 1.758 0.327 1.00 0.00 C ATOM 928 CG1 ILE A 66 -12.846 1.483 -0.913 1.00 0.00 C ATOM 929 CG2 ILE A 66 -14.334 0.472 0.836 1.00 0.00 C ATOM 930 CD1 ILE A 66 -11.630 0.627 -0.632 1.00 0.00 C ATOM 0 H ILE A 66 -13.685 4.571 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.558 2.335 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 66 -13.052 2.155 1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.461 0.990 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.522 2.432 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -13.554 -0.256 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -14.903 0.681 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.001 0.069 0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -11.072 0.473 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -10.993 1.128 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.948 -0.337 -0.235 1.00 0.00 H new ATOM 942 N SER A 67 -16.590 3.879 1.218 1.00 0.00 N ATOM 943 CA SER A 67 -17.286 4.394 2.391 1.00 0.00 C ATOM 944 C SER A 67 -18.688 3.800 2.496 1.00 0.00 C ATOM 945 O SER A 67 -19.090 3.314 3.552 1.00 0.00 O ATOM 946 CB SER A 67 -17.370 5.920 2.331 1.00 0.00 C ATOM 947 OG SER A 67 -17.877 6.452 3.543 1.00 0.00 O ATOM 0 H SER A 67 -17.092 4.008 0.340 1.00 0.00 H new ATOM 0 HA SER A 67 -16.720 4.103 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.381 6.334 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.012 6.220 1.502 1.00 0.00 H new ATOM 0 HG SER A 67 -18.701 6.951 3.362 1.00 0.00 H new ATOM 953 N GLY A 68 -19.427 3.844 1.392 1.00 0.00 N ATOM 954 CA GLY A 68 -20.775 3.308 1.380 1.00 0.00 C ATOM 955 C GLY A 68 -21.823 4.379 1.157 1.00 0.00 C ATOM 956 O GLY A 68 -21.550 5.437 0.589 1.00 0.00 O ATOM 0 H GLY A 68 -19.116 4.241 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -20.856 2.556 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -20.971 2.804 2.327 1.00 0.00 H new ATOM 960 N PRO A 69 -23.057 4.109 1.609 1.00 0.00 N ATOM 961 CA PRO A 69 -24.175 5.046 1.467 1.00 0.00 C ATOM 962 C PRO A 69 -24.015 6.279 2.350 1.00 0.00 C ATOM 963 O PRO A 69 -24.744 7.259 2.201 1.00 0.00 O ATOM 964 CB PRO A 69 -25.387 4.223 1.912 1.00 0.00 C ATOM 965 CG PRO A 69 -24.826 3.187 2.824 1.00 0.00 C ATOM 966 CD PRO A 69 -23.455 2.869 2.296 1.00 0.00 C ATOM 0 HA PRO A 69 -24.255 5.433 0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -26.122 4.845 2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -25.892 3.769 1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -24.774 3.556 3.848 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -25.455 2.297 2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -22.764 2.616 3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -23.475 2.020 1.613 1.00 0.00 H new ATOM 974 N SER A 70 -23.056 6.223 3.268 1.00 0.00 N ATOM 975 CA SER A 70 -22.802 7.334 4.177 1.00 0.00 C ATOM 976 C SER A 70 -21.508 7.115 4.956 1.00 0.00 C ATOM 977 O SER A 70 -21.173 5.988 5.319 1.00 0.00 O ATOM 978 CB SER A 70 -23.972 7.503 5.149 1.00 0.00 C ATOM 979 OG SER A 70 -23.821 8.676 5.930 1.00 0.00 O ATOM 0 H SER A 70 -22.442 5.420 3.402 1.00 0.00 H new ATOM 0 HA SER A 70 -22.698 8.241 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 70 -24.908 7.551 4.592 1.00 0.00 H new ATOM 0 HB3 SER A 70 -24.035 6.633 5.802 1.00 0.00 H new ATOM 0 HG SER A 70 -24.582 8.762 6.542 1.00 0.00 H new ATOM 985 N SER A 71 -20.786 8.202 5.208 1.00 0.00 N ATOM 986 CA SER A 71 -19.526 8.129 5.939 1.00 0.00 C ATOM 987 C SER A 71 -19.751 8.354 7.431 1.00 0.00 C ATOM 988 O SER A 71 -19.908 9.488 7.883 1.00 0.00 O ATOM 989 CB SER A 71 -18.538 9.165 5.399 1.00 0.00 C ATOM 990 OG SER A 71 -19.096 10.467 5.431 1.00 0.00 O ATOM 0 H SER A 71 -21.051 9.143 4.917 1.00 0.00 H new ATOM 0 HA SER A 71 -19.109 7.132 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.623 9.143 5.992 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.261 8.910 4.376 1.00 0.00 H new ATOM 0 HG SER A 71 -19.600 10.587 6.263 1.00 0.00 H new ATOM 996 N GLY A 72 -19.765 7.264 8.192 1.00 0.00 N ATOM 997 CA GLY A 72 -19.971 7.362 9.625 1.00 0.00 C ATOM 998 C GLY A 72 -20.560 6.096 10.214 1.00 0.00 C ATOM 999 O GLY A 72 -20.166 5.706 11.313 1.00 0.00 O ATOM 0 H GLY A 72 -19.637 6.315 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -19.020 7.577 10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -20.634 8.200 9.837 1.00 0.00 H new TER 1003 GLY A 72 HETATM 1004 ZN ZN A 201 10.800 -5.325 -2.870 1.00 0.00 ZN HETATM 1005 ZN ZN A 401 -4.186 4.492 -5.287 1.00 0.00 ZN