USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 Set 1.1: A 31 ASN : amide:sc= 0.556 K(o=1.3,f=-17!) USER MOD Set 1.2: A 34 LYS NZ :NH3+ 179:sc= 0.735 (180deg=0) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 TYR OH : rot 180:sc= -0.087 USER MOD Single : A 1 ALA N :NH3+ -133:sc= -0.479 (180deg=-3.25!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= 0.409 (180deg=0.0705) USER MOD Single : A 10 HIS : no HD1:sc=-0.00468 X(o=-0.0047,f=-0.24) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -4.57! K(o=-4.6!,f=-0.72) USER MOD Single : A 29 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 30 LYS NZ :NH3+ 141:sc= 0.357 (180deg=-0.000831) USER MOD Single : A 35 SER OG : rot 32:sc= 0.673 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -8.9! C(o=-8.9!,f=-5.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -6.51! C(o=-6.5!,f=-7.2!) USER MOD Single : A 56 ASN : amide:sc= -0.663 K(o=-0.66,f=-1.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-8.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.481 10.950 5.039 1.00 0.00 N ATOM 2 CA ALA A 1 -3.629 10.075 5.410 1.00 0.00 C ATOM 3 C ALA A 1 -3.105 8.713 5.867 1.00 0.00 C ATOM 4 O ALA A 1 -1.918 8.526 6.056 1.00 0.00 O ATOM 5 CB ALA A 1 -4.542 9.889 4.197 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.603 11.887 5.474 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.595 10.523 5.379 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.442 11.051 4.005 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.192 10.539 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.382 9.249 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.916 10.860 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.980 9.426 3.386 1.00 0.00 H new ATOM 13 N ARG A 2 -3.981 7.759 6.046 1.00 0.00 N ATOM 14 CA ARG A 2 -3.539 6.406 6.492 1.00 0.00 C ATOM 15 C ARG A 2 -4.087 5.348 5.532 1.00 0.00 C ATOM 16 O ARG A 2 -5.264 5.321 5.231 1.00 0.00 O ATOM 17 CB ARG A 2 -4.075 6.137 7.900 1.00 0.00 C ATOM 18 CG ARG A 2 -3.555 4.787 8.398 1.00 0.00 C ATOM 19 CD ARG A 2 -4.186 4.466 9.755 1.00 0.00 C ATOM 20 NE ARG A 2 -3.826 5.529 10.734 1.00 0.00 N ATOM 21 CZ ARG A 2 -4.590 5.750 11.769 1.00 0.00 C ATOM 22 NH1 ARG A 2 -5.669 5.037 11.947 1.00 0.00 N ATOM 23 NH2 ARG A 2 -4.276 6.683 12.626 1.00 0.00 N ATOM 0 H ARG A 2 -4.986 7.860 5.902 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.450 6.363 6.499 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.761 6.931 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.165 6.138 7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.796 4.005 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.469 4.814 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.270 4.399 9.657 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.837 3.496 10.110 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.982 6.085 10.596 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.915 4.308 11.277 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.266 5.209 12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.433 7.240 12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.874 6.855 13.434 1.00 0.00 H new ATOM 37 N ASP A 3 -3.242 4.472 5.057 1.00 0.00 N ATOM 38 CA ASP A 3 -3.709 3.410 4.124 1.00 0.00 C ATOM 39 C ASP A 3 -3.693 2.063 4.850 1.00 0.00 C ATOM 40 O ASP A 3 -2.946 1.864 5.788 1.00 0.00 O ATOM 41 CB ASP A 3 -2.790 3.354 2.904 1.00 0.00 C ATOM 42 CG ASP A 3 -3.619 3.031 1.660 1.00 0.00 C ATOM 43 OD1 ASP A 3 -4.663 2.418 1.810 1.00 0.00 O ATOM 44 OD2 ASP A 3 -3.196 3.402 0.577 1.00 0.00 O ATOM 0 H ASP A 3 -2.246 4.448 5.277 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.723 3.633 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.278 4.308 2.776 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.020 2.596 3.049 1.00 0.00 H new ATOM 49 N ALA A 4 -4.519 1.139 4.436 1.00 0.00 N ATOM 50 CA ALA A 4 -4.554 -0.185 5.119 1.00 0.00 C ATOM 51 C ALA A 4 -3.765 -1.223 4.318 1.00 0.00 C ATOM 52 O ALA A 4 -2.628 -1.521 4.622 1.00 0.00 O ATOM 53 CB ALA A 4 -6.007 -0.645 5.252 1.00 0.00 C ATOM 0 H ALA A 4 -5.169 1.244 3.657 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.101 -0.085 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.038 -1.613 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.567 0.083 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.453 -0.733 4.261 1.00 0.00 H new ATOM 59 N TYR A 5 -4.363 -1.791 3.308 1.00 0.00 N ATOM 60 CA TYR A 5 -3.649 -2.826 2.506 1.00 0.00 C ATOM 61 C TYR A 5 -3.092 -2.198 1.230 1.00 0.00 C ATOM 62 O TYR A 5 -2.409 -2.844 0.458 1.00 0.00 O ATOM 63 CB TYR A 5 -4.638 -3.926 2.122 1.00 0.00 C ATOM 64 CG TYR A 5 -5.510 -4.252 3.307 1.00 0.00 C ATOM 65 CD1 TYR A 5 -5.100 -5.211 4.240 1.00 0.00 C ATOM 66 CD2 TYR A 5 -6.734 -3.594 3.468 1.00 0.00 C ATOM 67 CE1 TYR A 5 -5.915 -5.511 5.338 1.00 0.00 C ATOM 68 CE2 TYR A 5 -7.550 -3.894 4.566 1.00 0.00 C ATOM 69 CZ TYR A 5 -7.140 -4.852 5.501 1.00 0.00 C ATOM 70 OH TYR A 5 -7.943 -5.148 6.583 1.00 0.00 O ATOM 0 H TYR A 5 -5.314 -1.584 3.003 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.831 -3.240 3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.253 -3.601 1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.100 -4.816 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.156 -5.719 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.049 -2.855 2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.599 -6.250 6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.495 -3.387 4.691 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.756 -4.601 6.547 1.00 0.00 H new ATOM 80 N ILE A 6 -3.390 -0.952 0.995 1.00 0.00 N ATOM 81 CA ILE A 6 -2.898 -0.286 -0.241 1.00 0.00 C ATOM 82 C ILE A 6 -1.778 0.697 0.102 1.00 0.00 C ATOM 83 O ILE A 6 -1.796 1.345 1.129 1.00 0.00 O ATOM 84 CB ILE A 6 -4.055 0.470 -0.894 1.00 0.00 C ATOM 85 CG1 ILE A 6 -5.209 -0.499 -1.158 1.00 0.00 C ATOM 86 CG2 ILE A 6 -3.589 1.073 -2.216 1.00 0.00 C ATOM 87 CD1 ILE A 6 -6.407 0.277 -1.705 1.00 0.00 C ATOM 0 H ILE A 6 -3.955 -0.364 1.608 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.510 -1.039 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.390 1.266 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.901 -1.264 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.484 -1.014 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.414 1.612 -2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.764 1.761 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.255 0.277 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.231 -0.411 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.719 1.025 -0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.126 0.771 -2.635 1.00 0.00 H new ATOM 99 N ALA A 7 -0.801 0.811 -0.754 1.00 0.00 N ATOM 100 CA ALA A 7 0.319 1.752 -0.488 1.00 0.00 C ATOM 101 C ALA A 7 0.690 2.471 -1.785 1.00 0.00 C ATOM 102 O ALA A 7 1.450 3.419 -1.789 1.00 0.00 O ATOM 103 CB ALA A 7 1.528 0.973 0.029 1.00 0.00 C ATOM 0 H ALA A 7 -0.731 0.291 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 7 0.014 2.483 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.349 1.663 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.261 0.457 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.837 0.243 -0.719 1.00 0.00 H new ATOM 109 N LYS A 8 0.154 2.024 -2.887 1.00 0.00 N ATOM 110 CA LYS A 8 0.464 2.672 -4.190 1.00 0.00 C ATOM 111 C LYS A 8 -0.739 3.517 -4.620 1.00 0.00 C ATOM 112 O LYS A 8 -1.849 3.284 -4.188 1.00 0.00 O ATOM 113 CB LYS A 8 0.745 1.589 -5.239 1.00 0.00 C ATOM 114 CG LYS A 8 1.055 0.263 -4.538 1.00 0.00 C ATOM 115 CD LYS A 8 1.792 -0.667 -5.506 1.00 0.00 C ATOM 116 CE LYS A 8 0.938 -0.886 -6.756 1.00 0.00 C ATOM 117 NZ LYS A 8 1.240 -2.224 -7.336 1.00 0.00 N ATOM 0 H LYS A 8 -0.489 1.234 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 8 1.342 3.311 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.117 1.472 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.586 1.886 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.665 0.442 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.131 -0.206 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.754 -0.234 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.999 -1.622 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.120 -0.818 -6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.141 -0.106 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.149 -2.182 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.211 -2.500 -7.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.572 -2.925 -6.958 1.00 0.00 H new ATOM 131 N PRO A 9 -0.517 4.495 -5.460 1.00 0.00 N ATOM 132 CA PRO A 9 -1.588 5.404 -5.961 1.00 0.00 C ATOM 133 C PRO A 9 -2.946 4.702 -6.132 1.00 0.00 C ATOM 134 O PRO A 9 -3.599 4.359 -5.166 1.00 0.00 O ATOM 135 CB PRO A 9 -1.018 5.870 -7.298 1.00 0.00 C ATOM 136 CG PRO A 9 0.457 5.933 -7.075 1.00 0.00 C ATOM 137 CD PRO A 9 0.791 4.854 -6.035 1.00 0.00 C ATOM 0 HA PRO A 9 -1.810 6.215 -5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.269 5.176 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.418 6.843 -7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.997 5.755 -8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.753 6.920 -6.718 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.275 3.992 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.472 5.232 -5.272 1.00 0.00 H new ATOM 145 N HIS A 10 -3.387 4.496 -7.343 1.00 0.00 N ATOM 146 CA HIS A 10 -4.702 3.827 -7.550 1.00 0.00 C ATOM 147 C HIS A 10 -4.497 2.313 -7.602 1.00 0.00 C ATOM 148 O HIS A 10 -5.433 1.552 -7.751 1.00 0.00 O ATOM 149 CB HIS A 10 -5.314 4.305 -8.870 1.00 0.00 C ATOM 150 CG HIS A 10 -5.572 5.784 -8.798 1.00 0.00 C ATOM 151 ND1 HIS A 10 -4.591 6.722 -9.091 1.00 0.00 N ATOM 152 CD2 HIS A 10 -6.695 6.505 -8.472 1.00 0.00 C ATOM 153 CE1 HIS A 10 -5.138 7.943 -8.937 1.00 0.00 C ATOM 154 NE2 HIS A 10 -6.415 7.864 -8.562 1.00 0.00 N ATOM 0 H HIS A 10 -2.895 4.761 -8.196 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.373 4.076 -6.728 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.640 4.083 -9.697 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.245 3.772 -9.065 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.648 6.082 -8.190 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.608 8.870 -9.097 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.053 8.639 -8.379 1.00 0.00 H new ATOM 163 N ASN A 11 -3.274 1.872 -7.490 1.00 0.00 N ATOM 164 CA ASN A 11 -2.996 0.408 -7.541 1.00 0.00 C ATOM 165 C ASN A 11 -2.685 -0.106 -6.133 1.00 0.00 C ATOM 166 O ASN A 11 -2.244 0.633 -5.275 1.00 0.00 O ATOM 167 CB ASN A 11 -1.793 0.161 -8.449 1.00 0.00 C ATOM 168 CG ASN A 11 -2.078 0.735 -9.838 1.00 0.00 C ATOM 169 OD1 ASN A 11 -3.078 0.413 -10.449 1.00 0.00 O ATOM 170 ND2 ASN A 11 -1.242 1.592 -10.359 1.00 0.00 N ATOM 0 H ASN A 11 -2.453 2.464 -7.365 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.868 -0.117 -7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.903 0.627 -8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.590 -0.908 -8.520 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.428 1.991 -11.279 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.403 1.862 -9.846 1.00 0.00 H new ATOM 177 N CYS A 12 -2.910 -1.370 -5.890 1.00 0.00 N ATOM 178 CA CYS A 12 -2.629 -1.937 -4.540 1.00 0.00 C ATOM 179 C CYS A 12 -1.392 -2.836 -4.618 1.00 0.00 C ATOM 180 O CYS A 12 -0.994 -3.266 -5.682 1.00 0.00 O ATOM 181 CB CYS A 12 -3.825 -2.770 -4.075 1.00 0.00 C ATOM 182 SG CYS A 12 -5.362 -1.891 -4.447 1.00 0.00 S ATOM 0 H CYS A 12 -3.277 -2.035 -6.570 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.453 -1.125 -3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.820 -3.740 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.754 -2.960 -3.004 1.00 0.00 H new ATOM 187 N VAL A 13 -0.782 -3.126 -3.501 1.00 0.00 N ATOM 188 CA VAL A 13 0.424 -4.000 -3.520 1.00 0.00 C ATOM 189 C VAL A 13 0.024 -5.409 -3.956 1.00 0.00 C ATOM 190 O VAL A 13 -0.955 -5.960 -3.492 1.00 0.00 O ATOM 191 CB VAL A 13 1.041 -4.052 -2.121 1.00 0.00 C ATOM 192 CG1 VAL A 13 2.307 -4.910 -2.153 1.00 0.00 C ATOM 193 CG2 VAL A 13 1.400 -2.634 -1.674 1.00 0.00 C ATOM 0 H VAL A 13 -1.066 -2.796 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 13 1.154 -3.596 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 13 0.326 -4.486 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.747 -4.947 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.054 -5.920 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.024 -4.475 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.840 -2.667 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.117 -2.203 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.499 -2.020 -1.653 1.00 0.00 H new ATOM 203 N TYR A 14 0.773 -5.997 -4.848 1.00 0.00 N ATOM 204 CA TYR A 14 0.435 -7.370 -5.319 1.00 0.00 C ATOM 205 C TYR A 14 0.878 -8.392 -4.272 1.00 0.00 C ATOM 206 O TYR A 14 0.238 -9.403 -4.065 1.00 0.00 O ATOM 207 CB TYR A 14 1.145 -7.645 -6.647 1.00 0.00 C ATOM 208 CG TYR A 14 2.621 -7.852 -6.404 1.00 0.00 C ATOM 209 CD1 TYR A 14 3.472 -6.747 -6.295 1.00 0.00 C ATOM 210 CD2 TYR A 14 3.138 -9.148 -6.289 1.00 0.00 C ATOM 211 CE1 TYR A 14 4.841 -6.937 -6.072 1.00 0.00 C ATOM 212 CE2 TYR A 14 4.507 -9.338 -6.067 1.00 0.00 C ATOM 213 CZ TYR A 14 5.359 -8.233 -5.958 1.00 0.00 C ATOM 214 OH TYR A 14 6.708 -8.421 -5.739 1.00 0.00 O ATOM 0 H TYR A 14 1.605 -5.586 -5.271 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.642 -7.450 -5.466 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.718 -8.528 -7.122 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.993 -6.810 -7.331 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.073 -5.747 -6.383 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.481 -10.001 -6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.498 -6.084 -5.988 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.906 -10.338 -5.980 1.00 0.00 H new ATOM 0 HH TYR A 14 6.900 -9.380 -5.684 1.00 0.00 H new ATOM 224 N GLU A 15 1.968 -8.132 -3.604 1.00 0.00 N ATOM 225 CA GLU A 15 2.451 -9.082 -2.566 1.00 0.00 C ATOM 226 C GLU A 15 3.540 -8.407 -1.741 1.00 0.00 C ATOM 227 O GLU A 15 4.697 -8.415 -2.108 1.00 0.00 O ATOM 228 CB GLU A 15 3.042 -10.323 -3.234 1.00 0.00 C ATOM 229 CG GLU A 15 3.277 -11.408 -2.180 1.00 0.00 C ATOM 230 CD GLU A 15 3.966 -12.609 -2.828 1.00 0.00 C ATOM 231 OE1 GLU A 15 4.247 -12.538 -4.013 1.00 0.00 O ATOM 232 OE2 GLU A 15 4.203 -13.581 -2.128 1.00 0.00 O ATOM 0 H GLU A 15 2.545 -7.301 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 15 1.616 -9.372 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.365 -10.691 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.981 -10.071 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.892 -11.016 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.328 -11.714 -1.740 1.00 0.00 H new ATOM 239 N CYS A 16 3.195 -7.828 -0.628 1.00 0.00 N ATOM 240 CA CYS A 16 4.240 -7.172 0.194 1.00 0.00 C ATOM 241 C CYS A 16 5.263 -8.228 0.606 1.00 0.00 C ATOM 242 O CYS A 16 4.936 -9.385 0.779 1.00 0.00 O ATOM 243 CB CYS A 16 3.618 -6.546 1.441 1.00 0.00 C ATOM 244 SG CYS A 16 4.764 -6.741 2.829 1.00 0.00 S ATOM 0 H CYS A 16 2.246 -7.781 -0.257 1.00 0.00 H new ATOM 0 HA CYS A 16 4.721 -6.384 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.410 -5.490 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.666 -7.025 1.668 1.00 0.00 H new ATOM 249 N PHE A 17 6.496 -7.840 0.756 1.00 0.00 N ATOM 250 CA PHE A 17 7.550 -8.814 1.147 1.00 0.00 C ATOM 251 C PHE A 17 8.103 -8.435 2.522 1.00 0.00 C ATOM 252 O PHE A 17 7.851 -7.356 3.021 1.00 0.00 O ATOM 253 CB PHE A 17 8.663 -8.790 0.098 1.00 0.00 C ATOM 254 CG PHE A 17 9.930 -9.367 0.681 1.00 0.00 C ATOM 255 CD1 PHE A 17 10.158 -10.748 0.632 1.00 0.00 C ATOM 256 CD2 PHE A 17 10.877 -8.522 1.268 1.00 0.00 C ATOM 257 CE1 PHE A 17 11.334 -11.282 1.171 1.00 0.00 C ATOM 258 CE2 PHE A 17 12.053 -9.055 1.806 1.00 0.00 C ATOM 259 CZ PHE A 17 12.282 -10.435 1.758 1.00 0.00 C ATOM 0 H PHE A 17 6.822 -6.883 0.624 1.00 0.00 H new ATOM 0 HA PHE A 17 7.133 -9.820 1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.361 -9.364 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.839 -7.767 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.427 -11.401 0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.700 -7.457 1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.510 -12.347 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.784 -8.402 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 17 13.190 -10.847 2.174 1.00 0.00 H new ATOM 269 N ASP A 18 8.837 -9.316 3.146 1.00 0.00 N ATOM 270 CA ASP A 18 9.382 -8.998 4.498 1.00 0.00 C ATOM 271 C ASP A 18 9.907 -7.563 4.509 1.00 0.00 C ATOM 272 O ASP A 18 10.547 -7.115 3.579 1.00 0.00 O ATOM 273 CB ASP A 18 10.520 -9.967 4.832 1.00 0.00 C ATOM 274 CG ASP A 18 9.960 -11.384 4.968 1.00 0.00 C ATOM 275 OD1 ASP A 18 8.750 -11.517 5.048 1.00 0.00 O ATOM 276 OD2 ASP A 18 10.751 -12.312 4.991 1.00 0.00 O ATOM 0 H ASP A 18 9.082 -10.237 2.782 1.00 0.00 H new ATOM 0 HA ASP A 18 8.593 -9.100 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.278 -9.938 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.007 -9.667 5.760 1.00 0.00 H new ATOM 281 N ALA A 19 9.628 -6.836 5.555 1.00 0.00 N ATOM 282 CA ALA A 19 10.093 -5.424 5.634 1.00 0.00 C ATOM 283 C ALA A 19 11.613 -5.381 5.784 1.00 0.00 C ATOM 284 O ALA A 19 12.222 -4.332 5.705 1.00 0.00 O ATOM 285 CB ALA A 19 9.439 -4.740 6.836 1.00 0.00 C ATOM 0 H ALA A 19 9.095 -7.161 6.362 1.00 0.00 H new ATOM 0 HA ALA A 19 9.812 -4.903 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.778 -3.706 6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.355 -4.760 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.717 -5.266 7.749 1.00 0.00 H new ATOM 291 N PHE A 20 12.237 -6.507 5.998 1.00 0.00 N ATOM 292 CA PHE A 20 13.719 -6.506 6.148 1.00 0.00 C ATOM 293 C PHE A 20 14.332 -5.758 4.963 1.00 0.00 C ATOM 294 O PHE A 20 15.225 -4.948 5.122 1.00 0.00 O ATOM 295 CB PHE A 20 14.235 -7.947 6.168 1.00 0.00 C ATOM 296 CG PHE A 20 15.715 -7.947 6.465 1.00 0.00 C ATOM 297 CD1 PHE A 20 16.163 -7.904 7.791 1.00 0.00 C ATOM 298 CD2 PHE A 20 16.640 -7.989 5.415 1.00 0.00 C ATOM 299 CE1 PHE A 20 17.536 -7.903 8.066 1.00 0.00 C ATOM 300 CE2 PHE A 20 18.012 -7.988 5.691 1.00 0.00 C ATOM 301 CZ PHE A 20 18.461 -7.945 7.017 1.00 0.00 C ATOM 0 H PHE A 20 11.789 -7.420 6.075 1.00 0.00 H new ATOM 0 HA PHE A 20 13.997 -6.016 7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.702 -8.525 6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.046 -8.426 5.207 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.450 -7.872 8.601 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.295 -8.022 4.392 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.881 -7.870 9.089 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.725 -8.020 4.881 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.520 -7.944 7.230 1.00 0.00 H new ATOM 311 N SER A 21 13.850 -6.013 3.778 1.00 0.00 N ATOM 312 CA SER A 21 14.388 -5.305 2.585 1.00 0.00 C ATOM 313 C SER A 21 13.647 -3.978 2.421 1.00 0.00 C ATOM 314 O SER A 21 13.827 -3.268 1.451 1.00 0.00 O ATOM 315 CB SER A 21 14.181 -6.165 1.338 1.00 0.00 C ATOM 316 OG SER A 21 14.922 -7.371 1.470 1.00 0.00 O ATOM 0 H SER A 21 13.105 -6.683 3.585 1.00 0.00 H new ATOM 0 HA SER A 21 15.454 -5.120 2.717 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.122 -6.388 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.504 -5.622 0.450 1.00 0.00 H new ATOM 0 HG SER A 21 14.790 -7.925 0.673 1.00 0.00 H new ATOM 322 N SER A 22 12.808 -3.643 3.363 1.00 0.00 N ATOM 323 CA SER A 22 12.044 -2.367 3.268 1.00 0.00 C ATOM 324 C SER A 22 11.276 -2.326 1.946 1.00 0.00 C ATOM 325 O SER A 22 10.891 -1.275 1.473 1.00 0.00 O ATOM 326 CB SER A 22 13.014 -1.186 3.329 1.00 0.00 C ATOM 327 OG SER A 22 13.807 -1.292 4.504 1.00 0.00 O ATOM 0 H SER A 22 12.618 -4.200 4.196 1.00 0.00 H new ATOM 0 HA SER A 22 11.340 -2.305 4.098 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.652 -1.178 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.462 -0.246 3.332 1.00 0.00 H new ATOM 0 HG SER A 22 14.431 -0.538 4.546 1.00 0.00 H new ATOM 333 N TYR A 23 11.052 -3.461 1.341 1.00 0.00 N ATOM 334 CA TYR A 23 10.310 -3.478 0.048 1.00 0.00 C ATOM 335 C TYR A 23 8.927 -2.854 0.237 1.00 0.00 C ATOM 336 O TYR A 23 8.519 -1.989 -0.513 1.00 0.00 O ATOM 337 CB TYR A 23 10.146 -4.921 -0.426 1.00 0.00 C ATOM 338 CG TYR A 23 9.424 -4.930 -1.749 1.00 0.00 C ATOM 339 CD1 TYR A 23 8.024 -4.955 -1.778 1.00 0.00 C ATOM 340 CD2 TYR A 23 10.150 -4.915 -2.945 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.351 -4.964 -3.006 1.00 0.00 C ATOM 342 CE2 TYR A 23 9.477 -4.923 -4.172 1.00 0.00 C ATOM 343 CZ TYR A 23 8.077 -4.948 -4.202 1.00 0.00 C ATOM 344 OH TYR A 23 7.414 -4.957 -5.413 1.00 0.00 O ATOM 0 H TYR A 23 11.350 -4.374 1.685 1.00 0.00 H new ATOM 0 HA TYR A 23 10.870 -2.907 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.122 -5.396 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.586 -5.497 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.464 -4.967 -0.855 1.00 0.00 H new ATOM 0 HD2 TYR A 23 11.230 -4.897 -2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.271 -4.983 -3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.037 -4.910 -5.095 1.00 0.00 H new ATOM 0 HH TYR A 23 8.067 -4.943 -6.144 1.00 0.00 H new ATOM 354 N CYS A 24 8.207 -3.278 1.237 1.00 0.00 N ATOM 355 CA CYS A 24 6.853 -2.699 1.472 1.00 0.00 C ATOM 356 C CYS A 24 6.996 -1.226 1.843 1.00 0.00 C ATOM 357 O CYS A 24 6.321 -0.369 1.307 1.00 0.00 O ATOM 358 CB CYS A 24 6.163 -3.450 2.614 1.00 0.00 C ATOM 359 SG CYS A 24 4.612 -2.614 3.037 1.00 0.00 S ATOM 0 H CYS A 24 8.495 -3.998 1.900 1.00 0.00 H new ATOM 0 HA CYS A 24 6.253 -2.793 0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.964 -4.480 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.817 -3.489 3.485 1.00 0.00 H new ATOM 364 N ASN A 25 7.875 -0.925 2.755 1.00 0.00 N ATOM 365 CA ASN A 25 8.070 0.491 3.163 1.00 0.00 C ATOM 366 C ASN A 25 8.501 1.309 1.947 1.00 0.00 C ATOM 367 O ASN A 25 8.104 2.444 1.774 1.00 0.00 O ATOM 368 CB ASN A 25 9.152 0.565 4.241 1.00 0.00 C ATOM 369 CG ASN A 25 8.723 -0.281 5.440 1.00 0.00 C ATOM 370 OD1 ASN A 25 9.339 -0.232 6.487 1.00 0.00 O ATOM 371 ND2 ASN A 25 7.690 -1.070 5.327 1.00 0.00 N ATOM 0 H ASN A 25 8.468 -1.601 3.237 1.00 0.00 H new ATOM 0 HA ASN A 25 7.137 0.892 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.101 0.203 3.846 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.307 1.599 4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.399 -1.646 6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.173 -1.111 4.449 1.00 0.00 H new ATOM 378 N GLY A 26 9.311 0.737 1.099 1.00 0.00 N ATOM 379 CA GLY A 26 9.766 1.477 -0.110 1.00 0.00 C ATOM 380 C GLY A 26 8.554 1.849 -0.963 1.00 0.00 C ATOM 381 O GLY A 26 8.456 2.946 -1.474 1.00 0.00 O ATOM 0 H GLY A 26 9.677 -0.211 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.308 2.376 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.456 0.862 -0.688 1.00 0.00 H new ATOM 385 N VAL A 27 7.624 0.944 -1.116 1.00 0.00 N ATOM 386 CA VAL A 27 6.416 1.252 -1.933 1.00 0.00 C ATOM 387 C VAL A 27 5.640 2.389 -1.270 1.00 0.00 C ATOM 388 O VAL A 27 5.193 3.313 -1.920 1.00 0.00 O ATOM 389 CB VAL A 27 5.530 0.008 -2.022 1.00 0.00 C ATOM 390 CG1 VAL A 27 4.234 0.358 -2.755 1.00 0.00 C ATOM 391 CG2 VAL A 27 6.269 -1.089 -2.790 1.00 0.00 C ATOM 0 H VAL A 27 7.649 0.008 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 27 6.717 1.552 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 27 5.296 -0.345 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.602 -0.528 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.707 1.141 -2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.468 0.710 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.639 -1.976 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.502 -0.736 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.194 -1.338 -2.269 1.00 0.00 H new ATOM 401 N CYS A 28 5.484 2.328 0.023 1.00 0.00 N ATOM 402 CA CYS A 28 4.745 3.404 0.740 1.00 0.00 C ATOM 403 C CYS A 28 5.515 4.721 0.603 1.00 0.00 C ATOM 404 O CYS A 28 4.937 5.789 0.559 1.00 0.00 O ATOM 405 CB CYS A 28 4.621 3.033 2.221 1.00 0.00 C ATOM 406 SG CYS A 28 3.454 4.152 3.036 1.00 0.00 S ATOM 0 H CYS A 28 5.838 1.577 0.616 1.00 0.00 H new ATOM 0 HA CYS A 28 3.750 3.518 0.311 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.281 2.002 2.320 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.596 3.095 2.704 1.00 0.00 H new ATOM 411 N THR A 29 6.817 4.649 0.540 1.00 0.00 N ATOM 412 CA THR A 29 7.634 5.890 0.413 1.00 0.00 C ATOM 413 C THR A 29 7.242 6.646 -0.858 1.00 0.00 C ATOM 414 O THR A 29 7.137 7.857 -0.863 1.00 0.00 O ATOM 415 CB THR A 29 9.118 5.518 0.347 1.00 0.00 C ATOM 416 OG1 THR A 29 9.453 4.717 1.471 1.00 0.00 O ATOM 417 CG2 THR A 29 9.966 6.790 0.351 1.00 0.00 C ATOM 0 H THR A 29 7.352 3.781 0.571 1.00 0.00 H new ATOM 0 HA THR A 29 7.453 6.527 1.278 1.00 0.00 H new ATOM 0 HB THR A 29 9.313 4.959 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.039 3.834 1.378 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.022 6.524 0.304 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.707 7.402 -0.513 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.774 7.352 1.265 1.00 0.00 H new ATOM 425 N LYS A 30 7.023 5.946 -1.936 1.00 0.00 N ATOM 426 CA LYS A 30 6.636 6.634 -3.202 1.00 0.00 C ATOM 427 C LYS A 30 5.349 7.425 -2.973 1.00 0.00 C ATOM 428 O LYS A 30 5.128 8.456 -3.576 1.00 0.00 O ATOM 429 CB LYS A 30 6.416 5.599 -4.310 1.00 0.00 C ATOM 430 CG LYS A 30 7.763 5.154 -4.888 1.00 0.00 C ATOM 431 CD LYS A 30 8.465 4.229 -3.897 1.00 0.00 C ATOM 432 CE LYS A 30 9.713 3.639 -4.553 1.00 0.00 C ATOM 433 NZ LYS A 30 10.686 3.235 -3.499 1.00 0.00 N ATOM 0 H LYS A 30 7.095 4.930 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 30 7.433 7.313 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.879 4.738 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.796 6.025 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.611 4.639 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.387 6.024 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.739 4.781 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.791 3.430 -3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.443 2.777 -5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.167 4.372 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.141 2.341 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.410 3.974 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.186 3.108 -2.596 1.00 0.00 H new ATOM 447 N ASN A 31 4.500 6.954 -2.103 1.00 0.00 N ATOM 448 CA ASN A 31 3.232 7.687 -1.834 1.00 0.00 C ATOM 449 C ASN A 31 3.562 9.142 -1.497 1.00 0.00 C ATOM 450 O ASN A 31 2.831 10.051 -1.836 1.00 0.00 O ATOM 451 CB ASN A 31 2.505 7.040 -0.654 1.00 0.00 C ATOM 452 CG ASN A 31 1.114 7.659 -0.510 1.00 0.00 C ATOM 453 OD1 ASN A 31 0.877 8.447 0.384 1.00 0.00 O ATOM 454 ND2 ASN A 31 0.177 7.333 -1.359 1.00 0.00 N ATOM 0 H ASN A 31 4.629 6.095 -1.568 1.00 0.00 H new ATOM 0 HA ASN A 31 2.590 7.648 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.422 5.964 -0.810 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.076 7.186 0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.754 7.740 -1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.376 6.671 -2.109 1.00 0.00 H new ATOM 461 N GLY A 32 4.663 9.368 -0.832 1.00 0.00 N ATOM 462 CA GLY A 32 5.045 10.762 -0.473 1.00 0.00 C ATOM 463 C GLY A 32 5.995 10.743 0.724 1.00 0.00 C ATOM 464 O GLY A 32 6.898 11.548 0.824 1.00 0.00 O ATOM 0 H GLY A 32 5.314 8.646 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.524 11.248 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.155 11.343 -0.234 1.00 0.00 H new ATOM 468 N ALA A 33 5.796 9.831 1.638 1.00 0.00 N ATOM 469 CA ALA A 33 6.682 9.763 2.833 1.00 0.00 C ATOM 470 C ALA A 33 5.992 8.961 3.928 1.00 0.00 C ATOM 471 O ALA A 33 6.593 8.587 4.916 1.00 0.00 O ATOM 472 CB ALA A 33 6.942 11.174 3.347 1.00 0.00 C ATOM 0 H ALA A 33 5.056 9.129 1.607 1.00 0.00 H new ATOM 0 HA ALA A 33 7.623 9.286 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.590 11.129 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.426 11.762 2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.996 11.642 3.620 1.00 0.00 H new ATOM 478 N LYS A 34 4.728 8.703 3.765 1.00 0.00 N ATOM 479 CA LYS A 34 3.991 7.937 4.804 1.00 0.00 C ATOM 480 C LYS A 34 4.839 6.767 5.287 1.00 0.00 C ATOM 481 O LYS A 34 5.478 6.085 4.511 1.00 0.00 O ATOM 482 CB LYS A 34 2.700 7.366 4.226 1.00 0.00 C ATOM 483 CG LYS A 34 1.747 8.488 3.831 1.00 0.00 C ATOM 484 CD LYS A 34 0.398 7.867 3.478 1.00 0.00 C ATOM 485 CE LYS A 34 -0.570 8.961 3.026 1.00 0.00 C ATOM 486 NZ LYS A 34 -1.161 8.588 1.709 1.00 0.00 N ATOM 0 H LYS A 34 4.173 8.989 2.958 1.00 0.00 H new ATOM 0 HA LYS A 34 3.768 8.615 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.926 6.750 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.222 6.717 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.636 9.198 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.144 9.042 2.981 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.523 7.128 2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.009 7.342 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.359 9.092 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.047 9.914 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.832 9.323 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.404 8.500 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.659 7.679 1.797 1.00 0.00 H new ATOM 500 N SER A 35 4.821 6.516 6.565 1.00 0.00 N ATOM 501 CA SER A 35 5.593 5.376 7.113 1.00 0.00 C ATOM 502 C SER A 35 4.652 4.485 7.924 1.00 0.00 C ATOM 503 O SER A 35 4.138 4.882 8.951 1.00 0.00 O ATOM 504 CB SER A 35 6.708 5.894 8.020 1.00 0.00 C ATOM 505 OG SER A 35 6.147 6.726 9.027 1.00 0.00 O ATOM 0 H SER A 35 4.300 7.057 7.255 1.00 0.00 H new ATOM 0 HA SER A 35 6.034 4.806 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.239 5.058 8.477 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.438 6.454 7.435 1.00 0.00 H new ATOM 0 HG SER A 35 5.245 6.412 9.246 1.00 0.00 H new ATOM 511 N GLY A 36 4.419 3.286 7.470 1.00 0.00 N ATOM 512 CA GLY A 36 3.515 2.368 8.217 1.00 0.00 C ATOM 513 C GLY A 36 4.165 0.985 8.326 1.00 0.00 C ATOM 514 O GLY A 36 5.357 0.864 8.524 1.00 0.00 O ATOM 0 H GLY A 36 4.816 2.901 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.316 2.767 9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.555 2.291 7.706 1.00 0.00 H new ATOM 518 N TYR A 37 3.389 -0.059 8.209 1.00 0.00 N ATOM 519 CA TYR A 37 3.965 -1.433 8.318 1.00 0.00 C ATOM 520 C TYR A 37 3.318 -2.350 7.281 1.00 0.00 C ATOM 521 O TYR A 37 2.359 -1.988 6.632 1.00 0.00 O ATOM 522 CB TYR A 37 3.682 -1.994 9.710 1.00 0.00 C ATOM 523 CG TYR A 37 3.882 -0.916 10.745 1.00 0.00 C ATOM 524 CD1 TYR A 37 5.175 -0.532 11.122 1.00 0.00 C ATOM 525 CD2 TYR A 37 2.769 -0.310 11.339 1.00 0.00 C ATOM 526 CE1 TYR A 37 5.354 0.462 12.091 1.00 0.00 C ATOM 527 CE2 TYR A 37 2.949 0.681 12.312 1.00 0.00 C ATOM 528 CZ TYR A 37 4.242 1.068 12.686 1.00 0.00 C ATOM 529 OH TYR A 37 4.419 2.045 13.645 1.00 0.00 O ATOM 0 H TYR A 37 2.383 -0.021 8.043 1.00 0.00 H new ATOM 0 HA TYR A 37 5.040 -1.381 8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.661 -2.373 9.759 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.344 -2.835 9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.033 -1.002 10.665 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.772 -0.606 11.047 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.351 0.761 12.380 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.091 1.147 12.774 1.00 0.00 H new ATOM 0 HH TYR A 37 3.545 2.362 13.955 1.00 0.00 H new ATOM 539 N CYS A 38 3.830 -3.542 7.129 1.00 0.00 N ATOM 540 CA CYS A 38 3.233 -4.481 6.144 1.00 0.00 C ATOM 541 C CYS A 38 2.324 -5.472 6.869 1.00 0.00 C ATOM 542 O CYS A 38 2.731 -6.139 7.799 1.00 0.00 O ATOM 543 CB CYS A 38 4.337 -5.248 5.420 1.00 0.00 C ATOM 544 SG CYS A 38 3.596 -6.596 4.468 1.00 0.00 S ATOM 0 H CYS A 38 4.633 -3.903 7.644 1.00 0.00 H new ATOM 0 HA CYS A 38 2.653 -3.912 5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.888 -4.579 4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.053 -5.645 6.140 1.00 0.00 H new ATOM 549 N GLN A 39 1.096 -5.568 6.445 1.00 0.00 N ATOM 550 CA GLN A 39 0.140 -6.510 7.094 1.00 0.00 C ATOM 551 C GLN A 39 -0.319 -7.550 6.072 1.00 0.00 C ATOM 552 O GLN A 39 0.133 -7.562 4.944 1.00 0.00 O ATOM 553 CB GLN A 39 -1.063 -5.731 7.625 1.00 0.00 C ATOM 554 CG GLN A 39 -0.594 -4.782 8.730 1.00 0.00 C ATOM 555 CD GLN A 39 -1.798 -4.050 9.327 1.00 0.00 C ATOM 556 OE1 GLN A 39 -1.653 -3.269 10.246 1.00 0.00 O ATOM 557 NE2 GLN A 39 -2.987 -4.272 8.842 1.00 0.00 N ATOM 0 H GLN A 39 0.709 -5.030 5.670 1.00 0.00 H new ATOM 0 HA GLN A 39 0.630 -7.017 7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.532 -5.167 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.815 -6.418 8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.075 -5.342 9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.118 -4.062 8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.109 -4.928 8.070 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.796 -3.790 9.234 1.00 0.00 H new ATOM 566 N ILE A 40 -1.203 -8.430 6.459 1.00 0.00 N ATOM 567 CA ILE A 40 -1.678 -9.478 5.511 1.00 0.00 C ATOM 568 C ILE A 40 -3.123 -9.197 5.098 1.00 0.00 C ATOM 569 O ILE A 40 -3.855 -8.508 5.781 1.00 0.00 O ATOM 570 CB ILE A 40 -1.587 -10.850 6.186 1.00 0.00 C ATOM 571 CG1 ILE A 40 -2.541 -10.905 7.385 1.00 0.00 C ATOM 572 CG2 ILE A 40 -0.155 -11.086 6.668 1.00 0.00 C ATOM 573 CD1 ILE A 40 -2.469 -12.290 8.030 1.00 0.00 C ATOM 0 H ILE A 40 -1.617 -8.468 7.391 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.051 -9.468 4.619 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.866 -11.621 5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.273 -10.139 8.112 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.561 -10.695 7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.089 -12.062 7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.525 -11.054 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.121 -10.310 7.383 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.147 -12.330 8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.758 -13.047 7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.450 -12.482 8.367 1.00 0.00 H new ATOM 585 N LEU A 41 -3.537 -9.725 3.976 1.00 0.00 N ATOM 586 CA LEU A 41 -4.926 -9.490 3.506 1.00 0.00 C ATOM 587 C LEU A 41 -5.885 -10.407 4.267 1.00 0.00 C ATOM 588 O LEU A 41 -5.556 -11.533 4.588 1.00 0.00 O ATOM 589 CB LEU A 41 -5.007 -9.801 2.011 1.00 0.00 C ATOM 590 CG LEU A 41 -3.965 -8.975 1.254 1.00 0.00 C ATOM 591 CD1 LEU A 41 -4.120 -9.212 -0.249 1.00 0.00 C ATOM 592 CD2 LEU A 41 -4.172 -7.489 1.557 1.00 0.00 C ATOM 0 H LEU A 41 -2.967 -10.311 3.365 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.202 -8.451 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.835 -10.864 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.006 -9.575 1.637 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.966 -9.276 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.378 -8.624 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.973 -10.270 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.120 -8.912 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.430 -6.901 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.171 -7.189 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.063 -7.317 2.628 1.00 0.00 H new ATOM 604 N GLY A 42 -7.068 -9.940 4.556 1.00 0.00 N ATOM 605 CA GLY A 42 -8.044 -10.793 5.293 1.00 0.00 C ATOM 606 C GLY A 42 -8.215 -12.117 4.548 1.00 0.00 C ATOM 607 O GLY A 42 -8.391 -13.161 5.146 1.00 0.00 O ATOM 0 H GLY A 42 -7.401 -9.007 4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.692 -10.976 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.003 -10.282 5.375 1.00 0.00 H new ATOM 611 N THR A 43 -8.157 -12.083 3.246 1.00 0.00 N ATOM 612 CA THR A 43 -8.308 -13.334 2.456 1.00 0.00 C ATOM 613 C THR A 43 -6.921 -13.909 2.160 1.00 0.00 C ATOM 614 O THR A 43 -6.162 -14.209 3.058 1.00 0.00 O ATOM 615 CB THR A 43 -9.026 -13.025 1.140 1.00 0.00 C ATOM 616 OG1 THR A 43 -8.305 -12.027 0.431 1.00 0.00 O ATOM 617 CG2 THR A 43 -10.441 -12.526 1.433 1.00 0.00 C ATOM 0 H THR A 43 -8.011 -11.238 2.694 1.00 0.00 H new ATOM 0 HA THR A 43 -8.893 -14.058 3.023 1.00 0.00 H new ATOM 0 HB THR A 43 -9.082 -13.930 0.535 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.763 -11.830 -0.413 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.951 -12.306 0.495 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.993 -13.294 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.390 -11.621 2.038 1.00 0.00 H new ATOM 625 N TYR A 44 -6.587 -14.060 0.906 1.00 0.00 N ATOM 626 CA TYR A 44 -5.249 -14.609 0.547 1.00 0.00 C ATOM 627 C TYR A 44 -4.415 -13.514 -0.117 1.00 0.00 C ATOM 628 O TYR A 44 -4.900 -12.772 -0.949 1.00 0.00 O ATOM 629 CB TYR A 44 -5.422 -15.777 -0.426 1.00 0.00 C ATOM 630 CG TYR A 44 -6.268 -16.847 0.219 1.00 0.00 C ATOM 631 CD1 TYR A 44 -5.687 -17.759 1.108 1.00 0.00 C ATOM 632 CD2 TYR A 44 -7.635 -16.930 -0.074 1.00 0.00 C ATOM 633 CE1 TYR A 44 -6.471 -18.751 1.707 1.00 0.00 C ATOM 634 CE2 TYR A 44 -8.421 -17.922 0.525 1.00 0.00 C ATOM 635 CZ TYR A 44 -7.838 -18.833 1.415 1.00 0.00 C ATOM 636 OH TYR A 44 -8.612 -19.811 2.005 1.00 0.00 O ATOM 0 H TYR A 44 -7.185 -13.826 0.114 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.744 -14.958 1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.893 -15.431 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.448 -16.184 -0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.632 -17.697 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.083 -16.229 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.022 -19.453 2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.476 -17.985 0.301 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.538 -19.727 1.695 1.00 0.00 H new ATOM 646 N GLY A 45 -3.165 -13.404 0.246 1.00 0.00 N ATOM 647 CA GLY A 45 -2.295 -12.354 -0.361 1.00 0.00 C ATOM 648 C GLY A 45 -1.656 -11.515 0.749 1.00 0.00 C ATOM 649 O GLY A 45 -1.684 -11.876 1.908 1.00 0.00 O ATOM 0 H GLY A 45 -2.708 -13.997 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.521 -12.817 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.883 -11.716 -1.021 1.00 0.00 H new ATOM 653 N ASN A 46 -1.084 -10.395 0.401 1.00 0.00 N ATOM 654 CA ASN A 46 -0.448 -9.530 1.431 1.00 0.00 C ATOM 655 C ASN A 46 -0.744 -8.066 1.101 1.00 0.00 C ATOM 656 O ASN A 46 -1.040 -7.726 -0.028 1.00 0.00 O ATOM 657 CB ASN A 46 1.065 -9.765 1.439 1.00 0.00 C ATOM 658 CG ASN A 46 1.602 -9.581 2.861 1.00 0.00 C ATOM 659 OD1 ASN A 46 0.994 -10.029 3.812 1.00 0.00 O ATOM 660 ND2 ASN A 46 2.723 -8.941 3.049 1.00 0.00 N ATOM 0 H ASN A 46 -1.030 -10.042 -0.555 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.848 -9.772 2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.290 -10.770 1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.556 -9.068 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.088 -8.818 3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.235 -8.564 2.251 1.00 0.00 H new ATOM 667 N GLY A 47 -0.669 -7.194 2.069 1.00 0.00 N ATOM 668 CA GLY A 47 -0.951 -5.756 1.793 1.00 0.00 C ATOM 669 C GLY A 47 0.048 -4.875 2.546 1.00 0.00 C ATOM 670 O GLY A 47 0.712 -5.317 3.464 1.00 0.00 O ATOM 0 H GLY A 47 -0.426 -7.413 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.885 -5.563 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.968 -5.511 2.099 1.00 0.00 H new ATOM 674 N CYS A 48 0.153 -3.629 2.166 1.00 0.00 N ATOM 675 CA CYS A 48 1.102 -2.714 2.857 1.00 0.00 C ATOM 676 C CYS A 48 0.325 -1.721 3.723 1.00 0.00 C ATOM 677 O CYS A 48 -0.715 -1.226 3.334 1.00 0.00 O ATOM 678 CB CYS A 48 1.926 -1.947 1.820 1.00 0.00 C ATOM 679 SG CYS A 48 3.426 -2.882 1.423 1.00 0.00 S ATOM 0 H CYS A 48 -0.379 -3.207 1.405 1.00 0.00 H new ATOM 0 HA CYS A 48 1.768 -3.302 3.489 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.336 -1.787 0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.191 -0.963 2.207 1.00 0.00 H new ATOM 684 N TRP A 49 0.824 -1.424 4.892 1.00 0.00 N ATOM 685 CA TRP A 49 0.123 -0.460 5.782 1.00 0.00 C ATOM 686 C TRP A 49 0.895 0.860 5.788 1.00 0.00 C ATOM 687 O TRP A 49 2.089 0.884 6.006 1.00 0.00 O ATOM 688 CB TRP A 49 0.061 -1.032 7.201 1.00 0.00 C ATOM 689 CG TRP A 49 -1.229 -0.637 7.847 1.00 0.00 C ATOM 690 CD1 TRP A 49 -1.390 0.410 8.688 1.00 0.00 C ATOM 691 CD2 TRP A 49 -2.538 -1.265 7.723 1.00 0.00 C ATOM 692 NE1 TRP A 49 -2.713 0.467 9.085 1.00 0.00 N ATOM 693 CE2 TRP A 49 -3.461 -0.544 8.517 1.00 0.00 C ATOM 694 CE3 TRP A 49 -3.008 -2.378 7.005 1.00 0.00 C ATOM 695 CZ2 TRP A 49 -4.804 -0.915 8.596 1.00 0.00 C ATOM 696 CZ3 TRP A 49 -4.360 -2.754 7.081 1.00 0.00 C ATOM 697 CH2 TRP A 49 -5.255 -2.024 7.875 1.00 0.00 C ATOM 0 H TRP A 49 1.690 -1.810 5.269 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.891 -0.288 5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.146 -2.118 7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.901 -0.663 7.789 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.611 1.091 8.999 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.090 1.170 9.720 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.326 -2.948 6.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.490 -0.349 9.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -4.711 -3.610 6.524 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.293 -2.318 7.930 1.00 0.00 H new ATOM 708 N CYS A 50 0.221 1.955 5.545 1.00 0.00 N ATOM 709 CA CYS A 50 0.912 3.281 5.536 1.00 0.00 C ATOM 710 C CYS A 50 0.352 4.140 6.672 1.00 0.00 C ATOM 711 O CYS A 50 -0.846 4.288 6.809 1.00 0.00 O ATOM 712 CB CYS A 50 0.661 3.975 4.194 1.00 0.00 C ATOM 713 SG CYS A 50 1.675 3.200 2.908 1.00 0.00 S ATOM 0 H CYS A 50 -0.780 1.989 5.352 1.00 0.00 H new ATOM 0 HA CYS A 50 1.984 3.143 5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.394 3.906 3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.902 5.035 4.271 1.00 0.00 H new ATOM 718 N ILE A 51 1.206 4.693 7.496 1.00 0.00 N ATOM 719 CA ILE A 51 0.713 5.525 8.630 1.00 0.00 C ATOM 720 C ILE A 51 1.379 6.901 8.608 1.00 0.00 C ATOM 721 O ILE A 51 2.563 7.027 8.366 1.00 0.00 O ATOM 722 CB ILE A 51 1.032 4.806 9.937 1.00 0.00 C ATOM 723 CG1 ILE A 51 0.410 3.410 9.881 1.00 0.00 C ATOM 724 CG2 ILE A 51 0.442 5.588 11.113 1.00 0.00 C ATOM 725 CD1 ILE A 51 0.877 2.577 11.072 1.00 0.00 C ATOM 0 H ILE A 51 2.220 4.603 7.431 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.364 5.668 8.540 1.00 0.00 H new ATOM 0 HB ILE A 51 2.111 4.731 10.072 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.677 3.488 9.886 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.690 2.916 8.950 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.672 5.072 12.045 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.873 6.589 11.137 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.639 5.661 10.996 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.427 1.585 11.021 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.963 2.485 11.048 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.575 3.065 11.998 1.00 0.00 H new ATOM 737 N ALA A 52 0.624 7.936 8.863 1.00 0.00 N ATOM 738 CA ALA A 52 1.209 9.304 8.860 1.00 0.00 C ATOM 739 C ALA A 52 0.201 10.293 9.450 1.00 0.00 C ATOM 740 O ALA A 52 0.557 11.178 10.203 1.00 0.00 O ATOM 741 CB ALA A 52 1.542 9.709 7.425 1.00 0.00 C ATOM 0 H ALA A 52 -0.373 7.891 9.073 1.00 0.00 H new ATOM 0 HA ALA A 52 2.118 9.313 9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.971 10.711 7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.260 9.005 7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.633 9.701 6.824 1.00 0.00 H new ATOM 747 N LEU A 53 -1.053 10.144 9.116 1.00 0.00 N ATOM 748 CA LEU A 53 -2.089 11.071 9.658 1.00 0.00 C ATOM 749 C LEU A 53 -3.232 10.253 10.267 1.00 0.00 C ATOM 750 O LEU A 53 -3.412 9.095 9.947 1.00 0.00 O ATOM 751 CB LEU A 53 -2.635 11.942 8.525 1.00 0.00 C ATOM 752 CG LEU A 53 -1.963 13.315 8.565 1.00 0.00 C ATOM 753 CD1 LEU A 53 -0.463 13.159 8.307 1.00 0.00 C ATOM 754 CD2 LEU A 53 -2.573 14.213 7.486 1.00 0.00 C ATOM 0 H LEU A 53 -1.405 9.419 8.490 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.646 11.707 10.424 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.450 11.463 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.715 12.051 8.625 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.118 13.765 9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.015 14.138 8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.026 12.520 9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.307 12.708 7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.094 15.192 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.418 13.761 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.642 14.326 7.668 1.00 0.00 H new ATOM 766 N PRO A 54 -4.003 10.852 11.140 1.00 0.00 N ATOM 767 CA PRO A 54 -5.148 10.168 11.801 1.00 0.00 C ATOM 768 C PRO A 54 -5.959 9.313 10.822 1.00 0.00 C ATOM 769 O PRO A 54 -5.906 8.101 10.852 1.00 0.00 O ATOM 770 CB PRO A 54 -5.997 11.322 12.336 1.00 0.00 C ATOM 771 CG PRO A 54 -5.053 12.462 12.537 1.00 0.00 C ATOM 772 CD PRO A 54 -3.864 12.246 11.593 1.00 0.00 C ATOM 0 HA PRO A 54 -4.815 9.476 12.575 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.786 11.587 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -6.484 11.048 13.272 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -5.546 13.410 12.323 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.717 12.504 13.573 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.892 12.941 10.754 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.916 12.404 12.106 1.00 0.00 H new ATOM 780 N ASP A 55 -6.707 9.940 9.957 1.00 0.00 N ATOM 781 CA ASP A 55 -7.525 9.172 8.974 1.00 0.00 C ATOM 782 C ASP A 55 -8.211 10.142 8.011 1.00 0.00 C ATOM 783 O ASP A 55 -9.396 10.045 7.762 1.00 0.00 O ATOM 784 CB ASP A 55 -8.590 8.362 9.716 1.00 0.00 C ATOM 785 CG ASP A 55 -9.520 9.311 10.476 1.00 0.00 C ATOM 786 OD1 ASP A 55 -9.474 10.499 10.201 1.00 0.00 O ATOM 787 OD2 ASP A 55 -10.260 8.834 11.319 1.00 0.00 O ATOM 0 H ASP A 55 -6.788 10.954 9.888 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.876 8.498 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.164 7.763 9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.116 7.668 10.410 1.00 0.00 H new ATOM 792 N ASN A 56 -7.481 11.079 7.473 1.00 0.00 N ATOM 793 CA ASN A 56 -8.100 12.053 6.534 1.00 0.00 C ATOM 794 C ASN A 56 -7.769 11.663 5.092 1.00 0.00 C ATOM 795 O ASN A 56 -6.618 11.569 4.713 1.00 0.00 O ATOM 796 CB ASN A 56 -7.558 13.454 6.822 1.00 0.00 C ATOM 797 CG ASN A 56 -8.352 14.479 6.013 1.00 0.00 C ATOM 798 OD1 ASN A 56 -7.842 15.061 5.076 1.00 0.00 O ATOM 799 ND2 ASN A 56 -9.593 14.722 6.336 1.00 0.00 N ATOM 0 H ASN A 56 -6.484 11.212 7.643 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.182 12.046 6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.636 13.675 7.887 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.501 13.508 6.562 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.135 15.401 5.802 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.020 14.233 7.123 1.00 0.00 H new ATOM 806 N VAL A 57 -8.769 11.439 4.284 1.00 0.00 N ATOM 807 CA VAL A 57 -8.513 11.058 2.867 1.00 0.00 C ATOM 808 C VAL A 57 -7.618 9.817 2.822 1.00 0.00 C ATOM 809 O VAL A 57 -6.486 9.877 2.385 1.00 0.00 O ATOM 810 CB VAL A 57 -7.815 12.214 2.147 1.00 0.00 C ATOM 811 CG1 VAL A 57 -7.710 11.898 0.654 1.00 0.00 C ATOM 812 CG2 VAL A 57 -8.627 13.497 2.339 1.00 0.00 C ATOM 0 H VAL A 57 -9.753 11.504 4.545 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.461 10.839 2.375 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.816 12.349 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.213 12.722 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.133 10.984 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.709 11.763 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.131 14.322 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.626 13.361 1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.703 13.724 3.402 1.00 0.00 H new ATOM 822 N PRO A 58 -8.122 8.699 3.273 1.00 0.00 N ATOM 823 CA PRO A 58 -7.358 7.420 3.285 1.00 0.00 C ATOM 824 C PRO A 58 -7.218 6.819 1.884 1.00 0.00 C ATOM 825 O PRO A 58 -6.129 6.707 1.356 1.00 0.00 O ATOM 826 CB PRO A 58 -8.193 6.504 4.181 1.00 0.00 C ATOM 827 CG PRO A 58 -9.587 7.036 4.111 1.00 0.00 C ATOM 828 CD PRO A 58 -9.479 8.535 3.820 1.00 0.00 C ATOM 0 HA PRO A 58 -6.337 7.560 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.150 5.471 3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.821 6.513 5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.154 6.531 3.329 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.114 6.862 5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.238 8.858 3.107 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.618 9.127 4.724 1.00 0.00 H new ATOM 836 N ILE A 59 -8.313 6.442 1.276 1.00 0.00 N ATOM 837 CA ILE A 59 -8.248 5.858 -0.092 1.00 0.00 C ATOM 838 C ILE A 59 -9.062 6.729 -1.050 1.00 0.00 C ATOM 839 O ILE A 59 -10.268 6.821 -0.951 1.00 0.00 O ATOM 840 CB ILE A 59 -8.831 4.442 -0.069 1.00 0.00 C ATOM 841 CG1 ILE A 59 -8.056 3.590 0.938 1.00 0.00 C ATOM 842 CG2 ILE A 59 -8.713 3.811 -1.458 1.00 0.00 C ATOM 843 CD1 ILE A 59 -8.743 2.232 1.094 1.00 0.00 C ATOM 0 H ILE A 59 -9.251 6.515 1.671 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.211 5.818 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.881 4.491 0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.029 3.453 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.010 4.099 1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.129 2.804 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.262 4.415 -2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.663 3.764 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.191 1.625 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.762 2.379 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.766 1.723 0.130 1.00 0.00 H new ATOM 855 N ARG A 60 -8.409 7.363 -1.984 1.00 0.00 N ATOM 856 CA ARG A 60 -9.141 8.220 -2.957 1.00 0.00 C ATOM 857 C ARG A 60 -10.009 7.334 -3.847 1.00 0.00 C ATOM 858 O ARG A 60 -11.096 7.703 -4.247 1.00 0.00 O ATOM 859 CB ARG A 60 -8.129 8.971 -3.819 1.00 0.00 C ATOM 860 CG ARG A 60 -7.215 9.801 -2.917 1.00 0.00 C ATOM 861 CD ARG A 60 -5.758 9.516 -3.279 1.00 0.00 C ATOM 862 NE ARG A 60 -4.864 10.377 -2.455 1.00 0.00 N ATOM 863 CZ ARG A 60 -3.569 10.231 -2.526 1.00 0.00 C ATOM 864 NH1 ARG A 60 -3.057 9.329 -3.318 1.00 0.00 N ATOM 865 NH2 ARG A 60 -2.787 10.986 -1.804 1.00 0.00 N ATOM 0 H ARG A 60 -7.398 7.324 -2.115 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.771 8.934 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.539 8.266 -4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.646 9.619 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.431 10.862 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.397 9.556 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.528 8.465 -3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.591 9.709 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.264 11.081 -1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.669 8.738 -3.881 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.045 9.215 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.188 11.690 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.775 10.872 -1.859 1.00 0.00 H new ATOM 879 N ILE A 61 -9.523 6.168 -4.164 1.00 0.00 N ATOM 880 CA ILE A 61 -10.293 5.239 -5.033 1.00 0.00 C ATOM 881 C ILE A 61 -11.459 4.635 -4.234 1.00 0.00 C ATOM 882 O ILE A 61 -11.284 4.239 -3.099 1.00 0.00 O ATOM 883 CB ILE A 61 -9.361 4.117 -5.494 1.00 0.00 C ATOM 884 CG1 ILE A 61 -7.994 4.707 -5.858 1.00 0.00 C ATOM 885 CG2 ILE A 61 -9.954 3.419 -6.719 1.00 0.00 C ATOM 886 CD1 ILE A 61 -6.989 4.391 -4.749 1.00 0.00 C ATOM 0 H ILE A 61 -8.617 5.816 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.688 5.777 -5.894 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.246 3.393 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.648 4.293 -6.805 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.076 5.786 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.285 2.621 -7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.926 2.997 -6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.074 4.141 -7.527 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.017 4.811 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.334 4.826 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.899 3.311 -4.636 1.00 0.00 H new ATOM 898 N PRO A 62 -12.639 4.541 -4.810 1.00 0.00 N ATOM 899 CA PRO A 62 -13.813 3.950 -4.108 1.00 0.00 C ATOM 900 C PRO A 62 -13.459 2.631 -3.414 1.00 0.00 C ATOM 901 O PRO A 62 -14.261 2.056 -2.704 1.00 0.00 O ATOM 902 CB PRO A 62 -14.828 3.699 -5.223 1.00 0.00 C ATOM 903 CG PRO A 62 -14.476 4.650 -6.319 1.00 0.00 C ATOM 904 CD PRO A 62 -12.990 4.988 -6.172 1.00 0.00 C ATOM 0 HA PRO A 62 -14.185 4.609 -3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.779 2.667 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -15.845 3.869 -4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.673 4.203 -7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -15.083 5.553 -6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.391 4.475 -6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.812 6.056 -6.297 1.00 0.00 H new ATOM 912 N GLY A 63 -12.263 2.149 -3.617 1.00 0.00 N ATOM 913 CA GLY A 63 -11.853 0.869 -2.976 1.00 0.00 C ATOM 914 C GLY A 63 -11.879 -0.256 -4.012 1.00 0.00 C ATOM 915 O GLY A 63 -11.671 -1.411 -3.694 1.00 0.00 O ATOM 0 H GLY A 63 -11.551 2.588 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.852 0.966 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.525 0.633 -2.151 1.00 0.00 H new ATOM 919 N LYS A 64 -12.129 0.068 -5.253 1.00 0.00 N ATOM 920 CA LYS A 64 -12.162 -0.986 -6.304 1.00 0.00 C ATOM 921 C LYS A 64 -10.816 -1.710 -6.339 1.00 0.00 C ATOM 922 O LYS A 64 -10.746 -2.904 -6.549 1.00 0.00 O ATOM 923 CB LYS A 64 -12.418 -0.343 -7.667 1.00 0.00 C ATOM 924 CG LYS A 64 -13.770 0.370 -7.654 1.00 0.00 C ATOM 925 CD LYS A 64 -14.098 0.854 -9.066 1.00 0.00 C ATOM 926 CE LYS A 64 -13.015 1.831 -9.527 1.00 0.00 C ATOM 927 NZ LYS A 64 -13.610 2.828 -10.461 1.00 0.00 N ATOM 0 H LYS A 64 -12.311 1.016 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.958 -1.695 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.624 0.366 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.405 -1.104 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.548 -0.306 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.743 1.214 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.155 0.007 -9.750 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.073 1.341 -9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.578 2.338 -8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.209 1.290 -10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.874 3.492 -10.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.007 2.336 -11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.365 3.352 -9.974 1.00 0.00 H new ATOM 941 N CYS A 65 -9.746 -0.993 -6.131 1.00 0.00 N ATOM 942 CA CYS A 65 -8.402 -1.636 -6.151 1.00 0.00 C ATOM 943 C CYS A 65 -8.239 -2.447 -7.439 1.00 0.00 C ATOM 944 O CYS A 65 -7.698 -1.971 -8.418 1.00 0.00 O ATOM 945 CB CYS A 65 -8.273 -2.566 -4.944 1.00 0.00 C ATOM 946 SG CYS A 65 -6.648 -3.362 -4.963 1.00 0.00 S ATOM 0 H CYS A 65 -9.744 0.010 -5.948 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.629 -0.868 -6.109 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -8.402 -2.001 -4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.059 -3.321 -4.968 1.00 0.00 H new ATOM 951 N HIS A 66 -8.703 -3.666 -7.448 1.00 0.00 N ATOM 952 CA HIS A 66 -8.573 -4.503 -8.674 1.00 0.00 C ATOM 953 C HIS A 66 -9.503 -3.964 -9.763 1.00 0.00 C ATOM 954 O HIS A 66 -9.173 -4.119 -10.927 1.00 0.00 O ATOM 955 CB HIS A 66 -8.954 -5.948 -8.348 1.00 0.00 C ATOM 956 CG HIS A 66 -10.215 -5.956 -7.533 1.00 0.00 C ATOM 957 ND1 HIS A 66 -10.271 -5.418 -6.256 1.00 0.00 N ATOM 958 CD2 HIS A 66 -11.477 -6.427 -7.798 1.00 0.00 C ATOM 959 CE1 HIS A 66 -11.528 -5.576 -5.804 1.00 0.00 C ATOM 960 NE2 HIS A 66 -12.301 -6.185 -6.705 1.00 0.00 N ATOM 961 OXT HIS A 66 -10.530 -3.405 -9.414 1.00 0.00 O ATOM 0 H HIS A 66 -9.166 -4.119 -6.660 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.543 -4.469 -9.028 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.098 -6.515 -9.268 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.148 -6.433 -7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.782 -6.911 -8.714 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -11.869 -5.250 -4.832 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.288 -6.423 -6.611 1.00 0.00 H new TER 970 HIS A 66