USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 404 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 42 HIS HE2 : A 42 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0795 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 39:sc= 0.353 USER MOD Single : A 9 LYS NZ :NH3+ 137:sc= -1.23 (180deg=-3.22!) USER MOD Single : A 10 CYS SG : rot 23:sc= 0.0397 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc=-0.00592 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.699 32.031 32.722 1.00 0.00 N ATOM 2 CA GLY A 1 3.388 31.475 31.418 1.00 0.00 C ATOM 3 C GLY A 1 1.981 30.915 31.347 1.00 0.00 C ATOM 4 O GLY A 1 1.619 30.029 32.121 1.00 0.00 O ATOM 0 H1 GLY A 1 4.671 32.400 32.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.036 32.803 32.937 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.613 31.289 33.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.507 32.248 30.659 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.102 30.686 31.183 1.00 0.00 H new ATOM 8 N SER A 2 1.185 31.434 30.418 1.00 0.00 N ATOM 9 CA SER A 2 -0.192 30.984 30.253 1.00 0.00 C ATOM 10 C SER A 2 -0.330 30.097 29.019 1.00 0.00 C ATOM 11 O SER A 2 0.501 30.144 28.112 1.00 0.00 O ATOM 12 CB SER A 2 -1.133 32.185 30.139 1.00 0.00 C ATOM 13 OG SER A 2 -2.469 31.767 29.918 1.00 0.00 O ATOM 0 H SER A 2 1.470 32.167 29.768 1.00 0.00 H new ATOM 0 HA SER A 2 -0.465 30.399 31.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.081 32.780 31.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.810 32.828 29.320 1.00 0.00 H new ATOM 0 HG SER A 2 -3.051 32.553 29.851 1.00 0.00 H new ATOM 19 N SER A 3 -1.385 29.290 28.993 1.00 0.00 N ATOM 20 CA SER A 3 -1.631 28.389 27.873 1.00 0.00 C ATOM 21 C SER A 3 -1.788 29.170 26.572 1.00 0.00 C ATOM 22 O SER A 3 -2.399 30.237 26.546 1.00 0.00 O ATOM 23 CB SER A 3 -2.883 27.549 28.132 1.00 0.00 C ATOM 24 OG SER A 3 -3.092 26.610 27.092 1.00 0.00 O ATOM 0 H SER A 3 -2.084 29.241 29.735 1.00 0.00 H new ATOM 0 HA SER A 3 -0.771 27.726 27.777 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.783 27.026 29.083 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.752 28.202 28.216 1.00 0.00 H new ATOM 0 HG SER A 3 -3.897 26.085 27.282 1.00 0.00 H new ATOM 30 N GLY A 4 -1.232 28.628 25.493 1.00 0.00 N ATOM 31 CA GLY A 4 -1.321 29.286 24.203 1.00 0.00 C ATOM 32 C GLY A 4 -1.357 28.302 23.051 1.00 0.00 C ATOM 33 O GLY A 4 -2.404 27.731 22.745 1.00 0.00 O ATOM 0 H GLY A 4 -0.722 27.745 25.489 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.218 29.905 24.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.468 29.954 24.080 1.00 0.00 H new ATOM 37 N SER A 5 -0.210 28.104 22.408 1.00 0.00 N ATOM 38 CA SER A 5 -0.115 27.186 21.279 1.00 0.00 C ATOM 39 C SER A 5 -0.552 25.781 21.683 1.00 0.00 C ATOM 40 O SER A 5 -0.564 25.439 22.866 1.00 0.00 O ATOM 41 CB SER A 5 1.316 27.152 20.740 1.00 0.00 C ATOM 42 OG SER A 5 1.664 28.387 20.139 1.00 0.00 O ATOM 0 H SER A 5 0.666 28.567 22.650 1.00 0.00 H new ATOM 0 HA SER A 5 -0.782 27.544 20.495 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.009 26.931 21.552 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.414 26.348 20.010 1.00 0.00 H new ATOM 0 HG SER A 5 2.584 28.340 19.804 1.00 0.00 H new ATOM 48 N SER A 6 -0.910 24.971 20.692 1.00 0.00 N ATOM 49 CA SER A 6 -1.351 23.604 20.943 1.00 0.00 C ATOM 50 C SER A 6 -1.543 22.846 19.633 1.00 0.00 C ATOM 51 O SER A 6 -2.474 23.117 18.876 1.00 0.00 O ATOM 52 CB SER A 6 -2.656 23.605 21.741 1.00 0.00 C ATOM 53 OG SER A 6 -3.633 24.422 21.120 1.00 0.00 O ATOM 0 H SER A 6 -0.903 25.238 19.708 1.00 0.00 H new ATOM 0 HA SER A 6 -0.579 23.100 21.524 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.033 22.586 21.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.467 23.964 22.753 1.00 0.00 H new ATOM 0 HG SER A 6 -3.582 24.312 20.148 1.00 0.00 H new ATOM 59 N GLY A 7 -0.653 21.892 19.372 1.00 0.00 N ATOM 60 CA GLY A 7 -0.741 21.109 18.154 1.00 0.00 C ATOM 61 C GLY A 7 0.272 19.982 18.114 1.00 0.00 C ATOM 62 O GLY A 7 1.374 20.147 17.589 1.00 0.00 O ATOM 0 H GLY A 7 0.127 21.648 19.983 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.745 20.694 18.064 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.588 21.762 17.294 1.00 0.00 H new ATOM 66 N LEU A 8 -0.099 18.835 18.672 1.00 0.00 N ATOM 67 CA LEU A 8 0.787 17.677 18.700 1.00 0.00 C ATOM 68 C LEU A 8 0.111 16.459 18.080 1.00 0.00 C ATOM 69 O LEU A 8 -0.425 15.605 18.786 1.00 0.00 O ATOM 70 CB LEU A 8 1.205 17.364 20.138 1.00 0.00 C ATOM 71 CG LEU A 8 2.241 16.252 20.310 1.00 0.00 C ATOM 72 CD1 LEU A 8 3.647 16.798 20.114 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.105 15.603 21.679 1.00 0.00 C ATOM 0 H LEU A 8 -1.007 18.682 19.111 1.00 0.00 H new ATOM 0 HA LEU A 8 1.674 17.916 18.113 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.602 18.275 20.586 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.313 17.093 20.703 1.00 0.00 H new ATOM 0 HG LEU A 8 2.059 15.492 19.550 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.371 15.993 20.240 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.739 17.215 19.111 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.840 17.578 20.850 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.850 14.814 21.783 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.260 16.353 22.454 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.108 15.176 21.782 1.00 0.00 H new ATOM 85 N LYS A 9 0.140 16.384 16.753 1.00 0.00 N ATOM 86 CA LYS A 9 -0.467 15.269 16.036 1.00 0.00 C ATOM 87 C LYS A 9 0.331 14.931 14.780 1.00 0.00 C ATOM 88 O LYS A 9 0.693 15.818 14.006 1.00 0.00 O ATOM 89 CB LYS A 9 -1.912 15.604 15.660 1.00 0.00 C ATOM 90 CG LYS A 9 -2.032 16.738 14.656 1.00 0.00 C ATOM 91 CD LYS A 9 -3.462 16.903 14.169 1.00 0.00 C ATOM 92 CE LYS A 9 -3.788 15.919 13.056 1.00 0.00 C ATOM 93 NZ LYS A 9 -4.038 14.549 13.583 1.00 0.00 N ATOM 0 H LYS A 9 0.578 17.083 16.153 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.461 14.400 16.694 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.387 14.714 15.248 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.461 15.870 16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.693 17.667 15.113 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.377 16.544 13.806 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.150 16.754 15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.610 17.922 13.811 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.667 16.265 12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.963 15.889 12.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.864 14.138 13.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.204 13.953 13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.222 14.599 14.605 1.00 0.00 H new ATOM 107 N CYS A 10 0.601 13.645 14.585 1.00 0.00 N ATOM 108 CA CYS A 10 1.356 13.191 13.422 1.00 0.00 C ATOM 109 C CYS A 10 1.083 11.717 13.140 1.00 0.00 C ATOM 110 O CYS A 10 0.882 10.925 14.060 1.00 0.00 O ATOM 111 CB CYS A 10 2.853 13.412 13.642 1.00 0.00 C ATOM 112 SG CYS A 10 3.553 12.436 14.993 1.00 0.00 S ATOM 0 H CYS A 10 0.309 12.899 15.216 1.00 0.00 H new ATOM 0 HA CYS A 10 1.034 13.774 12.559 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.384 13.171 12.721 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.028 14.469 13.843 1.00 0.00 H new ATOM 0 HG CYS A 10 2.808 11.392 15.206 1.00 0.00 H new ATOM 118 N SER A 11 1.077 11.356 11.860 1.00 0.00 N ATOM 119 CA SER A 11 0.823 9.979 11.456 1.00 0.00 C ATOM 120 C SER A 11 1.570 9.644 10.168 1.00 0.00 C ATOM 121 O SER A 11 1.294 10.212 9.110 1.00 0.00 O ATOM 122 CB SER A 11 -0.677 9.749 11.263 1.00 0.00 C ATOM 123 OG SER A 11 -0.941 8.420 10.849 1.00 0.00 O ATOM 0 H SER A 11 1.245 11.999 11.086 1.00 0.00 H new ATOM 0 HA SER A 11 1.185 9.322 12.247 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.202 9.953 12.196 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.062 10.448 10.520 1.00 0.00 H new ATOM 0 HG SER A 11 -1.907 8.299 10.734 1.00 0.00 H new ATOM 129 N THR A 12 2.519 8.718 10.264 1.00 0.00 N ATOM 130 CA THR A 12 3.307 8.308 9.109 1.00 0.00 C ATOM 131 C THR A 12 3.301 6.792 8.950 1.00 0.00 C ATOM 132 O THR A 12 3.390 6.054 9.931 1.00 0.00 O ATOM 133 CB THR A 12 4.764 8.795 9.222 1.00 0.00 C ATOM 134 OG1 THR A 12 4.791 10.199 9.501 1.00 0.00 O ATOM 135 CG2 THR A 12 5.529 8.513 7.938 1.00 0.00 C ATOM 0 H THR A 12 2.760 8.238 11.131 1.00 0.00 H new ATOM 0 HA THR A 12 2.846 8.764 8.233 1.00 0.00 H new ATOM 0 HB THR A 12 5.243 8.254 10.038 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.721 10.500 9.573 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.555 8.865 8.041 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.531 7.440 7.744 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.049 9.031 7.107 1.00 0.00 H new ATOM 143 N VAL A 13 3.196 6.333 7.707 1.00 0.00 N ATOM 144 CA VAL A 13 3.180 4.903 7.419 1.00 0.00 C ATOM 145 C VAL A 13 4.208 4.547 6.350 1.00 0.00 C ATOM 146 O VAL A 13 4.555 5.374 5.507 1.00 0.00 O ATOM 147 CB VAL A 13 1.787 4.441 6.950 1.00 0.00 C ATOM 148 CG1 VAL A 13 1.481 4.986 5.564 1.00 0.00 C ATOM 149 CG2 VAL A 13 1.698 2.922 6.966 1.00 0.00 C ATOM 0 H VAL A 13 3.121 6.930 6.883 1.00 0.00 H new ATOM 0 HA VAL A 13 3.432 4.390 8.347 1.00 0.00 H new ATOM 0 HB VAL A 13 1.041 4.834 7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.493 4.649 5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.502 6.076 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.229 4.625 4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.708 2.612 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.453 2.506 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.870 2.558 7.979 1.00 0.00 H new ATOM 159 N VAL A 14 4.691 3.309 6.392 1.00 0.00 N ATOM 160 CA VAL A 14 5.678 2.842 5.426 1.00 0.00 C ATOM 161 C VAL A 14 5.233 1.539 4.772 1.00 0.00 C ATOM 162 O VAL A 14 4.442 0.785 5.340 1.00 0.00 O ATOM 163 CB VAL A 14 7.053 2.627 6.088 1.00 0.00 C ATOM 164 CG1 VAL A 14 7.607 3.945 6.607 1.00 0.00 C ATOM 165 CG2 VAL A 14 6.950 1.604 7.209 1.00 0.00 C ATOM 0 H VAL A 14 4.415 2.612 7.084 1.00 0.00 H new ATOM 0 HA VAL A 14 5.766 3.616 4.664 1.00 0.00 H new ATOM 0 HB VAL A 14 7.742 2.241 5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.578 3.774 7.071 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.719 4.644 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.921 4.363 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.930 1.464 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.246 1.959 7.962 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.600 0.655 6.804 1.00 0.00 H new ATOM 175 N CYS A 15 5.746 1.279 3.574 1.00 0.00 N ATOM 176 CA CYS A 15 5.402 0.067 2.841 1.00 0.00 C ATOM 177 C CYS A 15 5.197 -1.106 3.794 1.00 0.00 C ATOM 178 O CYS A 15 6.048 -1.391 4.638 1.00 0.00 O ATOM 179 CB CYS A 15 6.498 -0.270 1.828 1.00 0.00 C ATOM 180 SG CYS A 15 6.003 -1.498 0.577 1.00 0.00 S ATOM 0 H CYS A 15 6.402 1.892 3.090 1.00 0.00 H new ATOM 0 HA CYS A 15 4.468 0.247 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.804 0.646 1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.370 -0.644 2.364 1.00 0.00 H new ATOM 185 N VAL A 16 4.063 -1.785 3.654 1.00 0.00 N ATOM 186 CA VAL A 16 3.746 -2.928 4.502 1.00 0.00 C ATOM 187 C VAL A 16 4.465 -4.184 4.022 1.00 0.00 C ATOM 188 O VAL A 16 4.092 -5.301 4.383 1.00 0.00 O ATOM 189 CB VAL A 16 2.230 -3.199 4.536 1.00 0.00 C ATOM 190 CG1 VAL A 16 1.487 -2.004 5.113 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.718 -3.533 3.143 1.00 0.00 C ATOM 0 H VAL A 16 3.348 -1.563 2.961 1.00 0.00 H new ATOM 0 HA VAL A 16 4.086 -2.680 5.508 1.00 0.00 H new ATOM 0 HB VAL A 16 2.046 -4.057 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.417 -2.214 5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.835 -1.815 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.675 -1.126 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.645 -3.722 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.913 -2.696 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.228 -4.422 2.771 1.00 0.00 H new ATOM 201 N ILE A 17 5.496 -3.993 3.206 1.00 0.00 N ATOM 202 CA ILE A 17 6.269 -5.111 2.678 1.00 0.00 C ATOM 203 C ILE A 17 7.760 -4.919 2.935 1.00 0.00 C ATOM 204 O ILE A 17 8.407 -5.761 3.559 1.00 0.00 O ATOM 205 CB ILE A 17 6.039 -5.289 1.166 1.00 0.00 C ATOM 206 CG1 ILE A 17 4.549 -5.167 0.836 1.00 0.00 C ATOM 207 CG2 ILE A 17 6.581 -6.633 0.702 1.00 0.00 C ATOM 208 CD1 ILE A 17 3.729 -6.350 1.301 1.00 0.00 C ATOM 0 H ILE A 17 5.815 -3.075 2.896 1.00 0.00 H new ATOM 0 HA ILE A 17 5.926 -6.006 3.198 1.00 0.00 H new ATOM 0 HB ILE A 17 6.575 -4.501 0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.156 -4.260 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.432 -5.055 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.411 -6.744 -0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.650 -6.684 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.071 -7.435 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.684 -6.196 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.096 -7.258 0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.816 -6.450 2.383 1.00 0.00 H new ATOM 220 N CYS A 18 8.299 -3.805 2.451 1.00 0.00 N ATOM 221 CA CYS A 18 9.714 -3.501 2.628 1.00 0.00 C ATOM 222 C CYS A 18 9.905 -2.373 3.638 1.00 0.00 C ATOM 223 O CYS A 18 11.021 -2.108 4.087 1.00 0.00 O ATOM 224 CB CYS A 18 10.345 -3.114 1.290 1.00 0.00 C ATOM 225 SG CYS A 18 9.752 -1.527 0.619 1.00 0.00 S ATOM 0 H CYS A 18 7.777 -3.098 1.933 1.00 0.00 H new ATOM 0 HA CYS A 18 10.207 -4.395 3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.427 -3.063 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.143 -3.901 0.564 1.00 0.00 H new ATOM 230 N LEU A 19 8.808 -1.712 3.992 1.00 0.00 N ATOM 231 CA LEU A 19 8.854 -0.612 4.950 1.00 0.00 C ATOM 232 C LEU A 19 9.732 0.523 4.434 1.00 0.00 C ATOM 233 O LEU A 19 10.625 0.997 5.136 1.00 0.00 O ATOM 234 CB LEU A 19 9.378 -1.106 6.299 1.00 0.00 C ATOM 235 CG LEU A 19 8.405 -1.939 7.134 1.00 0.00 C ATOM 236 CD1 LEU A 19 8.108 -3.262 6.445 1.00 0.00 C ATOM 237 CD2 LEU A 19 8.966 -2.176 8.528 1.00 0.00 C ATOM 0 H LEU A 19 7.877 -1.918 3.631 1.00 0.00 H new ATOM 0 HA LEU A 19 7.840 -0.232 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.274 -1.700 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.681 -0.240 6.888 1.00 0.00 H new ATOM 0 HG LEU A 19 7.471 -1.385 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.414 -3.841 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.663 -3.072 5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.034 -3.822 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.260 -2.770 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.914 -2.709 8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.127 -1.218 9.023 1.00 0.00 H new ATOM 249 N GLU A 20 9.471 0.955 3.204 1.00 0.00 N ATOM 250 CA GLU A 20 10.238 2.036 2.596 1.00 0.00 C ATOM 251 C GLU A 20 9.316 3.151 2.110 1.00 0.00 C ATOM 252 O GLU A 20 8.115 2.946 1.935 1.00 0.00 O ATOM 253 CB GLU A 20 11.073 1.505 1.429 1.00 0.00 C ATOM 254 CG GLU A 20 12.201 0.582 1.859 1.00 0.00 C ATOM 255 CD GLU A 20 13.513 1.317 2.056 1.00 0.00 C ATOM 256 OE1 GLU A 20 13.554 2.246 2.889 1.00 0.00 O ATOM 257 OE2 GLU A 20 14.499 0.962 1.376 1.00 0.00 O ATOM 0 H GLU A 20 8.735 0.573 2.610 1.00 0.00 H new ATOM 0 HA GLU A 20 10.905 2.445 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.420 0.970 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.493 2.348 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.924 0.085 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.334 -0.197 1.108 1.00 0.00 H new ATOM 264 N LYS A 21 9.887 4.331 1.894 1.00 0.00 N ATOM 265 CA LYS A 21 9.119 5.479 1.428 1.00 0.00 C ATOM 266 C LYS A 21 8.161 5.076 0.312 1.00 0.00 C ATOM 267 O LYS A 21 8.553 4.897 -0.842 1.00 0.00 O ATOM 268 CB LYS A 21 10.059 6.581 0.934 1.00 0.00 C ATOM 269 CG LYS A 21 10.653 7.420 2.052 1.00 0.00 C ATOM 270 CD LYS A 21 11.989 8.022 1.648 1.00 0.00 C ATOM 271 CE LYS A 21 12.744 8.561 2.853 1.00 0.00 C ATOM 272 NZ LYS A 21 13.842 9.484 2.452 1.00 0.00 N ATOM 0 H LYS A 21 10.880 4.517 2.034 1.00 0.00 H new ATOM 0 HA LYS A 21 8.534 5.857 2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.868 6.127 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.514 7.233 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.959 8.217 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.785 6.803 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.593 7.266 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.825 8.826 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.051 9.085 3.511 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.158 7.730 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.332 9.830 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.517 8.977 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.444 10.290 1.930 1.00 0.00 H new ATOM 286 N PRO A 22 6.874 4.930 0.660 1.00 0.00 N ATOM 287 CA PRO A 22 5.833 4.548 -0.300 1.00 0.00 C ATOM 288 C PRO A 22 5.537 5.655 -1.305 1.00 0.00 C ATOM 289 O PRO A 22 5.097 6.744 -0.935 1.00 0.00 O ATOM 290 CB PRO A 22 4.612 4.290 0.586 1.00 0.00 C ATOM 291 CG PRO A 22 4.847 5.114 1.805 1.00 0.00 C ATOM 292 CD PRO A 22 6.335 5.126 2.016 1.00 0.00 C ATOM 0 HA PRO A 22 6.129 3.689 -0.902 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.690 4.581 0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.520 3.233 0.835 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.464 6.126 1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.334 4.689 2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.672 6.068 2.450 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.651 4.332 2.693 1.00 0.00 H new ATOM 300 N LYS A 23 5.780 5.371 -2.580 1.00 0.00 N ATOM 301 CA LYS A 23 5.539 6.341 -3.641 1.00 0.00 C ATOM 302 C LYS A 23 4.053 6.419 -3.979 1.00 0.00 C ATOM 303 O LYS A 23 3.550 7.473 -4.368 1.00 0.00 O ATOM 304 CB LYS A 23 6.339 5.971 -4.892 1.00 0.00 C ATOM 305 CG LYS A 23 7.842 5.979 -4.677 1.00 0.00 C ATOM 306 CD LYS A 23 8.591 5.671 -5.962 1.00 0.00 C ATOM 307 CE LYS A 23 8.817 4.176 -6.131 1.00 0.00 C ATOM 308 NZ LYS A 23 9.572 3.867 -7.377 1.00 0.00 N ATOM 0 H LYS A 23 6.144 4.475 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 23 5.865 7.319 -3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.034 4.980 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.091 6.669 -5.691 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.151 6.954 -4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.105 5.244 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.028 6.053 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.551 6.187 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.364 3.792 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.855 3.663 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.706 2.839 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.038 4.211 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.500 4.335 -7.346 1.00 0.00 H new ATOM 322 N TYR A 24 3.357 5.298 -3.827 1.00 0.00 N ATOM 323 CA TYR A 24 1.930 5.240 -4.117 1.00 0.00 C ATOM 324 C TYR A 24 1.214 4.309 -3.144 1.00 0.00 C ATOM 325 O TYR A 24 1.847 3.645 -2.323 1.00 0.00 O ATOM 326 CB TYR A 24 1.699 4.768 -5.554 1.00 0.00 C ATOM 327 CG TYR A 24 2.797 5.178 -6.510 1.00 0.00 C ATOM 328 CD1 TYR A 24 4.024 4.526 -6.510 1.00 0.00 C ATOM 329 CD2 TYR A 24 2.608 6.218 -7.411 1.00 0.00 C ATOM 330 CE1 TYR A 24 5.030 4.897 -7.380 1.00 0.00 C ATOM 331 CE2 TYR A 24 3.608 6.595 -8.286 1.00 0.00 C ATOM 332 CZ TYR A 24 4.817 5.932 -8.267 1.00 0.00 C ATOM 333 OH TYR A 24 5.817 6.306 -9.136 1.00 0.00 O ATOM 0 H TYR A 24 3.758 4.417 -3.505 1.00 0.00 H new ATOM 0 HA TYR A 24 1.521 6.243 -4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.610 3.682 -5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.750 5.168 -5.911 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.194 3.715 -5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.663 6.741 -7.428 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.978 4.380 -7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.444 7.405 -8.981 1.00 0.00 H new ATOM 0 HH TYR A 24 5.505 7.049 -9.693 1.00 0.00 H new ATOM 343 N ARG A 25 -0.111 4.265 -3.242 1.00 0.00 N ATOM 344 CA ARG A 25 -0.915 3.417 -2.371 1.00 0.00 C ATOM 345 C ARG A 25 -1.918 2.601 -3.181 1.00 0.00 C ATOM 346 O ARG A 25 -2.210 2.923 -4.333 1.00 0.00 O ATOM 347 CB ARG A 25 -1.652 4.267 -1.334 1.00 0.00 C ATOM 348 CG ARG A 25 -0.816 4.589 -0.106 1.00 0.00 C ATOM 349 CD ARG A 25 -1.575 5.478 0.867 1.00 0.00 C ATOM 350 NE ARG A 25 -1.740 6.835 0.354 1.00 0.00 N ATOM 351 CZ ARG A 25 -0.747 7.715 0.270 1.00 0.00 C ATOM 352 NH1 ARG A 25 0.474 7.380 0.663 1.00 0.00 N ATOM 353 NH2 ARG A 25 -0.976 8.931 -0.208 1.00 0.00 N ATOM 0 H ARG A 25 -0.650 4.807 -3.917 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.244 2.729 -1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.971 5.199 -1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.555 3.742 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.529 3.663 0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.105 5.085 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.555 5.044 1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.043 5.512 1.818 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.668 7.124 0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.653 6.446 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.234 8.057 0.598 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.914 9.191 -0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.214 9.606 -0.272 1.00 0.00 H new ATOM 367 N CYS A 26 -2.442 1.543 -2.572 1.00 0.00 N ATOM 368 CA CYS A 26 -3.411 0.680 -3.235 1.00 0.00 C ATOM 369 C CYS A 26 -4.732 1.412 -3.455 1.00 0.00 C ATOM 370 O CYS A 26 -5.321 1.971 -2.529 1.00 0.00 O ATOM 371 CB CYS A 26 -3.649 -0.586 -2.409 1.00 0.00 C ATOM 372 SG CYS A 26 -4.715 -1.818 -3.224 1.00 0.00 S ATOM 0 H CYS A 26 -2.211 1.263 -1.619 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.004 0.401 -4.207 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.687 -1.046 -2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.099 -0.306 -1.456 1.00 0.00 H new ATOM 377 N PRO A 27 -5.208 1.411 -4.708 1.00 0.00 N ATOM 378 CA PRO A 27 -6.464 2.070 -5.079 1.00 0.00 C ATOM 379 C PRO A 27 -7.684 1.354 -4.510 1.00 0.00 C ATOM 380 O PRO A 27 -8.820 1.655 -4.877 1.00 0.00 O ATOM 381 CB PRO A 27 -6.466 1.996 -6.608 1.00 0.00 C ATOM 382 CG PRO A 27 -5.613 0.819 -6.931 1.00 0.00 C ATOM 383 CD PRO A 27 -4.558 0.765 -5.861 1.00 0.00 C ATOM 0 HA PRO A 27 -6.522 3.086 -4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.477 1.871 -6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.065 2.909 -7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.202 -0.098 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.163 0.923 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.267 -0.261 -5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.654 1.294 -6.161 1.00 0.00 H new ATOM 391 N ALA A 28 -7.442 0.406 -3.610 1.00 0.00 N ATOM 392 CA ALA A 28 -8.522 -0.351 -2.989 1.00 0.00 C ATOM 393 C ALA A 28 -8.488 -0.210 -1.471 1.00 0.00 C ATOM 394 O ALA A 28 -9.372 0.405 -0.874 1.00 0.00 O ATOM 395 CB ALA A 28 -8.436 -1.817 -3.387 1.00 0.00 C ATOM 0 H ALA A 28 -6.508 0.144 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.469 0.055 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.249 -2.370 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.517 -1.905 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.481 -2.227 -3.060 1.00 0.00 H new ATOM 401 N CYS A 29 -7.463 -0.785 -0.851 1.00 0.00 N ATOM 402 CA CYS A 29 -7.313 -0.725 0.598 1.00 0.00 C ATOM 403 C CYS A 29 -6.526 0.514 1.013 1.00 0.00 C ATOM 404 O CYS A 29 -6.522 0.897 2.183 1.00 0.00 O ATOM 405 CB CYS A 29 -6.612 -1.984 1.112 1.00 0.00 C ATOM 406 SG CYS A 29 -5.000 -2.309 0.329 1.00 0.00 S ATOM 0 H CYS A 29 -6.723 -1.298 -1.330 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.308 -0.666 1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.469 -1.894 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.263 -2.842 0.948 1.00 0.00 H new ATOM 411 N ARG A 30 -5.860 1.136 0.046 1.00 0.00 N ATOM 412 CA ARG A 30 -5.068 2.332 0.310 1.00 0.00 C ATOM 413 C ARG A 30 -3.890 2.012 1.226 1.00 0.00 C ATOM 414 O ARG A 30 -3.690 2.666 2.249 1.00 0.00 O ATOM 415 CB ARG A 30 -5.940 3.417 0.943 1.00 0.00 C ATOM 416 CG ARG A 30 -7.108 3.846 0.071 1.00 0.00 C ATOM 417 CD ARG A 30 -8.173 2.763 -0.006 1.00 0.00 C ATOM 418 NE ARG A 30 -9.506 3.320 -0.221 1.00 0.00 N ATOM 419 CZ ARG A 30 -10.189 3.973 0.712 1.00 0.00 C ATOM 420 NH1 ARG A 30 -9.668 4.150 1.918 1.00 0.00 N ATOM 421 NH2 ARG A 30 -11.397 4.451 0.440 1.00 0.00 N ATOM 0 H ARG A 30 -5.853 0.832 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.679 2.697 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.324 3.053 1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.321 4.288 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.546 4.760 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.749 4.077 -0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.933 2.075 -0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.167 2.183 0.917 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.936 3.201 -1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.740 3.784 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.195 4.652 2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.802 4.317 -0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.921 4.952 1.158 1.00 0.00 H new ATOM 435 N VAL A 31 -3.113 1.000 0.851 1.00 0.00 N ATOM 436 CA VAL A 31 -1.955 0.593 1.638 1.00 0.00 C ATOM 437 C VAL A 31 -0.665 1.150 1.045 1.00 0.00 C ATOM 438 O VAL A 31 -0.554 1.377 -0.160 1.00 0.00 O ATOM 439 CB VAL A 31 -1.847 -0.941 1.725 1.00 0.00 C ATOM 440 CG1 VAL A 31 -3.014 -1.515 2.513 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.781 -1.550 0.333 1.00 0.00 C ATOM 0 H VAL A 31 -3.265 0.447 0.007 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.095 0.997 2.641 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.926 -1.194 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.920 -2.600 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.009 -1.103 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.950 -1.254 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.705 -2.634 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.683 -1.290 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.908 -1.163 -0.192 1.00 0.00 H new ATOM 451 N PRO A 32 0.335 1.374 1.910 1.00 0.00 N ATOM 452 CA PRO A 32 1.636 1.906 1.496 1.00 0.00 C ATOM 453 C PRO A 32 2.439 0.901 0.677 1.00 0.00 C ATOM 454 O PRO A 32 2.681 -0.222 1.120 1.00 0.00 O ATOM 455 CB PRO A 32 2.339 2.199 2.823 1.00 0.00 C ATOM 456 CG PRO A 32 1.702 1.274 3.802 1.00 0.00 C ATOM 457 CD PRO A 32 0.272 1.126 3.361 1.00 0.00 C ATOM 0 HA PRO A 32 1.533 2.779 0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.412 2.021 2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.208 3.240 3.119 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.209 0.309 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.759 1.676 4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.116 0.132 3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.379 1.841 3.863 1.00 0.00 H new ATOM 465 N TYR A 33 2.851 1.311 -0.517 1.00 0.00 N ATOM 466 CA TYR A 33 3.626 0.445 -1.398 1.00 0.00 C ATOM 467 C TYR A 33 4.529 1.267 -2.313 1.00 0.00 C ATOM 468 O TYR A 33 4.067 2.165 -3.017 1.00 0.00 O ATOM 469 CB TYR A 33 2.693 -0.430 -2.236 1.00 0.00 C ATOM 470 CG TYR A 33 2.314 0.186 -3.564 1.00 0.00 C ATOM 471 CD1 TYR A 33 3.252 0.327 -4.579 1.00 0.00 C ATOM 472 CD2 TYR A 33 1.018 0.627 -3.803 1.00 0.00 C ATOM 473 CE1 TYR A 33 2.911 0.891 -5.793 1.00 0.00 C ATOM 474 CE2 TYR A 33 0.668 1.190 -5.015 1.00 0.00 C ATOM 475 CZ TYR A 33 1.617 1.320 -6.006 1.00 0.00 C ATOM 476 OH TYR A 33 1.273 1.881 -7.215 1.00 0.00 O ATOM 0 H TYR A 33 2.661 2.238 -0.898 1.00 0.00 H new ATOM 0 HA TYR A 33 4.254 -0.195 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.174 -1.391 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.786 -0.629 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.265 -0.010 -4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.272 0.528 -3.028 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.653 0.996 -6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.344 1.527 -5.185 1.00 0.00 H new ATOM 0 HH TYR A 33 0.325 2.129 -7.203 1.00 0.00 H new ATOM 486 N CYS A 34 5.820 0.952 -2.296 1.00 0.00 N ATOM 487 CA CYS A 34 6.790 1.658 -3.123 1.00 0.00 C ATOM 488 C CYS A 34 6.486 1.464 -4.606 1.00 0.00 C ATOM 489 O CYS A 34 6.005 2.377 -5.276 1.00 0.00 O ATOM 490 CB CYS A 34 8.207 1.170 -2.814 1.00 0.00 C ATOM 491 SG CYS A 34 8.326 -0.623 -2.516 1.00 0.00 S ATOM 0 H CYS A 34 6.218 0.212 -1.718 1.00 0.00 H new ATOM 0 HA CYS A 34 6.720 2.721 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.860 1.434 -3.646 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.579 1.699 -1.937 1.00 0.00 H new ATOM 496 N SER A 35 6.769 0.267 -5.110 1.00 0.00 N ATOM 497 CA SER A 35 6.529 -0.047 -6.514 1.00 0.00 C ATOM 498 C SER A 35 5.502 -1.166 -6.652 1.00 0.00 C ATOM 499 O SER A 35 4.971 -1.664 -5.659 1.00 0.00 O ATOM 500 CB SER A 35 7.836 -0.452 -7.199 1.00 0.00 C ATOM 501 OG SER A 35 8.827 0.549 -7.039 1.00 0.00 O ATOM 0 H SER A 35 7.164 -0.501 -4.568 1.00 0.00 H new ATOM 0 HA SER A 35 6.135 0.847 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.194 -1.393 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.656 -0.624 -8.260 1.00 0.00 H new ATOM 0 HG SER A 35 9.653 0.266 -7.484 1.00 0.00 H new ATOM 507 N VAL A 36 5.225 -1.558 -7.892 1.00 0.00 N ATOM 508 CA VAL A 36 4.263 -2.619 -8.162 1.00 0.00 C ATOM 509 C VAL A 36 4.679 -3.923 -7.492 1.00 0.00 C ATOM 510 O VAL A 36 3.853 -4.627 -6.912 1.00 0.00 O ATOM 511 CB VAL A 36 4.103 -2.860 -9.675 1.00 0.00 C ATOM 512 CG1 VAL A 36 5.252 -3.704 -10.205 1.00 0.00 C ATOM 513 CG2 VAL A 36 2.765 -3.521 -9.971 1.00 0.00 C ATOM 0 H VAL A 36 5.654 -1.156 -8.726 1.00 0.00 H new ATOM 0 HA VAL A 36 3.308 -2.292 -7.751 1.00 0.00 H new ATOM 0 HB VAL A 36 4.126 -1.896 -10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.122 -3.864 -11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.195 -3.187 -10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.263 -4.666 -9.693 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.669 -3.684 -11.045 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.709 -4.478 -9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.956 -2.875 -9.628 1.00 0.00 H new ATOM 523 N VAL A 37 5.968 -4.239 -7.575 1.00 0.00 N ATOM 524 CA VAL A 37 6.496 -5.458 -6.974 1.00 0.00 C ATOM 525 C VAL A 37 5.857 -5.724 -5.616 1.00 0.00 C ATOM 526 O VAL A 37 5.125 -6.699 -5.442 1.00 0.00 O ATOM 527 CB VAL A 37 8.025 -5.383 -6.804 1.00 0.00 C ATOM 528 CG1 VAL A 37 8.548 -6.637 -6.121 1.00 0.00 C ATOM 529 CG2 VAL A 37 8.701 -5.178 -8.151 1.00 0.00 C ATOM 0 H VAL A 37 6.665 -3.668 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 37 6.253 -6.276 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 37 8.262 -4.528 -6.171 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.630 -6.566 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.087 -6.735 -5.138 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.302 -7.510 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.781 -5.127 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.459 -6.011 -8.810 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.349 -4.248 -8.597 1.00 0.00 H new ATOM 539 N CYS A 38 6.137 -4.849 -4.655 1.00 0.00 N ATOM 540 CA CYS A 38 5.590 -4.988 -3.311 1.00 0.00 C ATOM 541 C CYS A 38 4.070 -5.116 -3.353 1.00 0.00 C ATOM 542 O CYS A 38 3.473 -5.830 -2.547 1.00 0.00 O ATOM 543 CB CYS A 38 5.988 -3.787 -2.450 1.00 0.00 C ATOM 544 SG CYS A 38 7.605 -3.964 -1.631 1.00 0.00 S ATOM 0 H CYS A 38 6.740 -4.036 -4.783 1.00 0.00 H new ATOM 0 HA CYS A 38 6.001 -5.896 -2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.005 -2.895 -3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.223 -3.629 -1.690 1.00 0.00 H new ATOM 549 N PHE A 39 3.449 -4.418 -4.299 1.00 0.00 N ATOM 550 CA PHE A 39 1.998 -4.453 -4.447 1.00 0.00 C ATOM 551 C PHE A 39 1.535 -5.817 -4.949 1.00 0.00 C ATOM 552 O PHE A 39 0.425 -6.257 -4.648 1.00 0.00 O ATOM 553 CB PHE A 39 1.536 -3.358 -5.410 1.00 0.00 C ATOM 554 CG PHE A 39 0.097 -3.488 -5.820 1.00 0.00 C ATOM 555 CD1 PHE A 39 -0.919 -3.321 -4.892 1.00 0.00 C ATOM 556 CD2 PHE A 39 -0.240 -3.779 -7.132 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.244 -3.440 -5.266 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.564 -3.898 -7.511 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.567 -3.730 -6.577 1.00 0.00 C ATOM 0 H PHE A 39 3.928 -3.822 -4.974 1.00 0.00 H new ATOM 0 HA PHE A 39 1.554 -4.277 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.685 -2.386 -4.940 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.163 -3.381 -6.301 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.672 -3.095 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.540 -3.914 -7.866 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.026 -3.306 -4.534 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.814 -4.122 -8.537 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.602 -3.825 -6.871 1.00 0.00 H new ATOM 569 N ARG A 40 2.393 -6.481 -5.717 1.00 0.00 N ATOM 570 CA ARG A 40 2.072 -7.794 -6.263 1.00 0.00 C ATOM 571 C ARG A 40 1.724 -8.776 -5.149 1.00 0.00 C ATOM 572 O ARG A 40 0.611 -9.301 -5.093 1.00 0.00 O ATOM 573 CB ARG A 40 3.248 -8.331 -7.082 1.00 0.00 C ATOM 574 CG ARG A 40 3.579 -7.483 -8.299 1.00 0.00 C ATOM 575 CD ARG A 40 4.583 -8.179 -9.205 1.00 0.00 C ATOM 576 NE ARG A 40 3.932 -9.064 -10.167 1.00 0.00 N ATOM 577 CZ ARG A 40 3.676 -10.346 -9.931 1.00 0.00 C ATOM 578 NH1 ARG A 40 4.015 -10.890 -8.770 1.00 0.00 N ATOM 579 NH2 ARG A 40 3.079 -11.086 -10.856 1.00 0.00 N ATOM 0 H ARG A 40 3.316 -6.131 -5.975 1.00 0.00 H new ATOM 0 HA ARG A 40 1.204 -7.687 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.128 -8.392 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.020 -9.346 -7.408 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.667 -7.274 -8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.982 -6.523 -7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.168 -7.431 -9.739 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.281 -8.755 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 40 3.659 -8.676 -11.070 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.473 -10.324 -8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.817 -11.875 -8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.816 -10.671 -11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.883 -12.070 -10.674 1.00 0.00 H new ATOM 593 N LYS A 41 2.683 -9.021 -4.262 1.00 0.00 N ATOM 594 CA LYS A 41 2.479 -9.940 -3.148 1.00 0.00 C ATOM 595 C LYS A 41 1.248 -9.547 -2.338 1.00 0.00 C ATOM 596 O LYS A 41 0.375 -10.375 -2.075 1.00 0.00 O ATOM 597 CB LYS A 41 3.714 -9.959 -2.244 1.00 0.00 C ATOM 598 CG LYS A 41 4.986 -10.380 -2.959 1.00 0.00 C ATOM 599 CD LYS A 41 6.213 -10.162 -2.090 1.00 0.00 C ATOM 600 CE LYS A 41 7.382 -11.018 -2.552 1.00 0.00 C ATOM 601 NZ LYS A 41 8.375 -11.235 -1.464 1.00 0.00 N ATOM 0 H LYS A 41 3.610 -8.596 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 41 2.320 -10.938 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.858 -8.966 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.534 -10.639 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.918 -11.432 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.089 -9.813 -3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.498 -9.110 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.973 -10.400 -1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.011 -11.981 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.871 -10.538 -3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.156 -11.823 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.749 -10.318 -1.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.915 -11.716 -0.665 1.00 0.00 H new ATOM 615 N HIS A 42 1.184 -8.279 -1.945 1.00 0.00 N ATOM 616 CA HIS A 42 0.058 -7.776 -1.166 1.00 0.00 C ATOM 617 C HIS A 42 -1.265 -8.083 -1.862 1.00 0.00 C ATOM 618 O HIS A 42 -2.231 -8.505 -1.225 1.00 0.00 O ATOM 619 CB HIS A 42 0.194 -6.269 -0.946 1.00 0.00 C ATOM 620 CG HIS A 42 -1.120 -5.554 -0.867 1.00 0.00 C ATOM 621 ND1 HIS A 42 -1.843 -5.436 0.301 1.00 0.00 N ATOM 622 CD2 HIS A 42 -1.840 -4.916 -1.819 1.00 0.00 C ATOM 623 CE1 HIS A 42 -2.951 -4.758 0.064 1.00 0.00 C ATOM 624 NE2 HIS A 42 -2.973 -4.431 -1.215 1.00 0.00 N ATOM 0 H HIS A 42 1.898 -7.581 -2.153 1.00 0.00 H new ATOM 0 HA HIS A 42 0.065 -8.278 -0.199 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.750 -6.093 -0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.782 -5.843 -1.759 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.565 -5.814 1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.573 -4.809 -2.860 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.710 -4.513 0.792 1.00 0.00 H new ATOM 632 N LYS A 43 -1.302 -7.869 -3.172 1.00 0.00 N ATOM 633 CA LYS A 43 -2.505 -8.122 -3.956 1.00 0.00 C ATOM 634 C LYS A 43 -3.187 -9.410 -3.505 1.00 0.00 C ATOM 635 O LYS A 43 -4.391 -9.430 -3.255 1.00 0.00 O ATOM 636 CB LYS A 43 -2.160 -8.210 -5.445 1.00 0.00 C ATOM 637 CG LYS A 43 -3.374 -8.369 -6.342 1.00 0.00 C ATOM 638 CD LYS A 43 -4.314 -7.180 -6.224 1.00 0.00 C ATOM 639 CE LYS A 43 -5.585 -7.392 -7.032 1.00 0.00 C ATOM 640 NZ LYS A 43 -6.587 -8.202 -6.286 1.00 0.00 N ATOM 0 H LYS A 43 -0.512 -7.520 -3.714 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.193 -7.292 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.618 -7.311 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.488 -9.053 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.051 -8.477 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.906 -9.283 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.570 -7.020 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.808 -6.279 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.018 -6.425 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.340 -7.891 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.439 -8.324 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.183 -9.134 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.840 -7.714 -5.403 1.00 0.00 H new ATOM 654 N GLU A 44 -2.408 -10.482 -3.401 1.00 0.00 N ATOM 655 CA GLU A 44 -2.938 -11.773 -2.979 1.00 0.00 C ATOM 656 C GLU A 44 -3.654 -11.654 -1.636 1.00 0.00 C ATOM 657 O GLU A 44 -4.675 -12.302 -1.407 1.00 0.00 O ATOM 658 CB GLU A 44 -1.812 -12.804 -2.879 1.00 0.00 C ATOM 659 CG GLU A 44 -1.219 -12.925 -1.486 1.00 0.00 C ATOM 660 CD GLU A 44 -0.082 -13.926 -1.420 1.00 0.00 C ATOM 661 OE1 GLU A 44 1.015 -13.612 -1.928 1.00 0.00 O ATOM 662 OE2 GLU A 44 -0.289 -15.024 -0.862 1.00 0.00 O ATOM 0 H GLU A 44 -1.408 -10.482 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.658 -12.104 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.194 -13.777 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.021 -12.535 -3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.857 -11.949 -1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.001 -13.222 -0.787 1.00 0.00 H new ATOM 669 N GLN A 45 -3.110 -10.823 -0.754 1.00 0.00 N ATOM 670 CA GLN A 45 -3.695 -10.620 0.566 1.00 0.00 C ATOM 671 C GLN A 45 -4.336 -9.240 0.671 1.00 0.00 C ATOM 672 O GLN A 45 -4.453 -8.680 1.762 1.00 0.00 O ATOM 673 CB GLN A 45 -2.630 -10.785 1.651 1.00 0.00 C ATOM 674 CG GLN A 45 -1.656 -9.620 1.730 1.00 0.00 C ATOM 675 CD GLN A 45 -0.586 -9.825 2.784 1.00 0.00 C ATOM 676 OE1 GLN A 45 0.280 -10.690 2.646 1.00 0.00 O ATOM 677 NE2 GLN A 45 -0.638 -9.027 3.844 1.00 0.00 N ATOM 0 H GLN A 45 -2.265 -10.279 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.470 -11.373 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.122 -10.902 2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.072 -11.702 1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.182 -9.481 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.207 -8.705 1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.373 -8.324 3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.057 -9.117 4.585 1.00 0.00 H new ATOM 686 N CYS A 46 -4.748 -8.695 -0.469 1.00 0.00 N ATOM 687 CA CYS A 46 -5.375 -7.380 -0.506 1.00 0.00 C ATOM 688 C CYS A 46 -6.878 -7.488 -0.265 1.00 0.00 C ATOM 689 O CYS A 46 -7.647 -7.757 -1.187 1.00 0.00 O ATOM 690 CB CYS A 46 -5.110 -6.703 -1.852 1.00 0.00 C ATOM 691 SG CYS A 46 -6.076 -5.183 -2.123 1.00 0.00 S ATOM 0 H CYS A 46 -4.659 -9.145 -1.380 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.940 -6.774 0.289 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.049 -6.464 -1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.332 -7.409 -2.652 1.00 0.00 H new ATOM 696 N ASN A 47 -7.289 -7.275 0.981 1.00 0.00 N ATOM 697 CA ASN A 47 -8.700 -7.348 1.343 1.00 0.00 C ATOM 698 C ASN A 47 -9.240 -5.969 1.711 1.00 0.00 C ATOM 699 O ASN A 47 -8.988 -5.447 2.797 1.00 0.00 O ATOM 700 CB ASN A 47 -8.898 -8.314 2.513 1.00 0.00 C ATOM 701 CG ASN A 47 -8.321 -9.688 2.232 1.00 0.00 C ATOM 702 OD1 ASN A 47 -8.475 -10.226 1.135 1.00 0.00 O ATOM 703 ND2 ASN A 47 -7.652 -10.263 3.225 1.00 0.00 N ATOM 0 H ASN A 47 -6.665 -7.051 1.756 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.253 -7.716 0.478 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.428 -7.901 3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.963 -8.407 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.241 -11.187 3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.549 -9.780 4.118 1.00 0.00 H new ATOM 710 N PRO A 48 -9.999 -5.365 0.785 1.00 0.00 N ATOM 711 CA PRO A 48 -10.591 -4.040 0.990 1.00 0.00 C ATOM 712 C PRO A 48 -11.703 -4.056 2.033 1.00 0.00 C ATOM 713 O PRO A 48 -12.436 -3.079 2.187 1.00 0.00 O ATOM 714 CB PRO A 48 -11.157 -3.688 -0.389 1.00 0.00 C ATOM 715 CG PRO A 48 -11.408 -5.002 -1.042 1.00 0.00 C ATOM 716 CD PRO A 48 -10.340 -5.929 -0.531 1.00 0.00 C ATOM 0 HA PRO A 48 -9.862 -3.321 1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -12.075 -3.107 -0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.452 -3.088 -0.965 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.401 -5.377 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.361 -4.914 -2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.704 -6.953 -0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.476 -5.951 -1.195 1.00 0.00 H new ATOM 724 N GLU A 49 -11.821 -5.170 2.748 1.00 0.00 N ATOM 725 CA GLU A 49 -12.845 -5.312 3.777 1.00 0.00 C ATOM 726 C GLU A 49 -12.674 -4.254 4.864 1.00 0.00 C ATOM 727 O GLU A 49 -11.791 -3.400 4.782 1.00 0.00 O ATOM 728 CB GLU A 49 -12.786 -6.710 4.397 1.00 0.00 C ATOM 729 CG GLU A 49 -13.356 -7.797 3.502 1.00 0.00 C ATOM 730 CD GLU A 49 -13.844 -9.001 4.284 1.00 0.00 C ATOM 731 OE1 GLU A 49 -14.325 -8.815 5.422 1.00 0.00 O ATOM 732 OE2 GLU A 49 -13.745 -10.129 3.758 1.00 0.00 O ATOM 0 H GLU A 49 -11.221 -5.987 2.634 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.818 -5.172 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.749 -6.951 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.333 -6.704 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.182 -7.387 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.593 -8.115 2.792 1.00 0.00 H new ATOM 739 N THR A 50 -13.526 -4.317 5.882 1.00 0.00 N ATOM 740 CA THR A 50 -13.472 -3.365 6.984 1.00 0.00 C ATOM 741 C THR A 50 -13.841 -1.961 6.517 1.00 0.00 C ATOM 742 O THR A 50 -13.120 -0.999 6.781 1.00 0.00 O ATOM 743 CB THR A 50 -12.072 -3.328 7.626 1.00 0.00 C ATOM 744 OG1 THR A 50 -11.485 -4.634 7.595 1.00 0.00 O ATOM 745 CG2 THR A 50 -12.149 -2.835 9.063 1.00 0.00 C ATOM 0 H THR A 50 -14.262 -5.018 5.966 1.00 0.00 H new ATOM 0 HA THR A 50 -14.196 -3.700 7.727 1.00 0.00 H new ATOM 0 HB THR A 50 -11.452 -2.637 7.055 1.00 0.00 H new ATOM 0 HG1 THR A 50 -10.595 -4.602 8.003 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.149 -2.817 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.570 -1.830 9.081 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.784 -3.504 9.644 1.00 0.00 H new ATOM 753 N SER A 51 -14.968 -1.851 5.821 1.00 0.00 N ATOM 754 CA SER A 51 -15.431 -0.565 5.314 1.00 0.00 C ATOM 755 C SER A 51 -16.238 0.178 6.375 1.00 0.00 C ATOM 756 O SER A 51 -16.822 -0.433 7.268 1.00 0.00 O ATOM 757 CB SER A 51 -16.280 -0.764 4.058 1.00 0.00 C ATOM 758 OG SER A 51 -17.590 -1.192 4.389 1.00 0.00 O ATOM 0 H SER A 51 -15.577 -2.637 5.595 1.00 0.00 H new ATOM 0 HA SER A 51 -14.556 0.035 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 51 -16.330 0.170 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 51 -15.807 -1.501 3.409 1.00 0.00 H new ATOM 0 HG SER A 51 -18.113 -1.310 3.568 1.00 0.00 H new ATOM 764 N GLY A 52 -16.265 1.504 6.268 1.00 0.00 N ATOM 765 CA GLY A 52 -17.002 2.310 7.223 1.00 0.00 C ATOM 766 C GLY A 52 -16.603 3.771 7.178 1.00 0.00 C ATOM 767 O GLY A 52 -17.324 4.618 6.649 1.00 0.00 O ATOM 0 H GLY A 52 -15.790 2.033 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.069 2.222 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.834 1.922 8.228 1.00 0.00 H new ATOM 771 N PRO A 53 -15.430 4.086 7.746 1.00 0.00 N ATOM 772 CA PRO A 53 -14.910 5.457 7.783 1.00 0.00 C ATOM 773 C PRO A 53 -14.488 5.953 6.404 1.00 0.00 C ATOM 774 O PRO A 53 -14.516 5.204 5.428 1.00 0.00 O ATOM 775 CB PRO A 53 -13.696 5.351 8.708 1.00 0.00 C ATOM 776 CG PRO A 53 -13.263 3.929 8.605 1.00 0.00 C ATOM 777 CD PRO A 53 -14.519 3.129 8.396 1.00 0.00 C ATOM 0 HA PRO A 53 -15.661 6.169 8.124 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.902 6.030 8.398 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.956 5.612 9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.570 3.791 7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.744 3.612 9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.339 2.256 7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.925 2.765 9.340 1.00 0.00 H new ATOM 785 N SER A 54 -14.097 7.222 6.331 1.00 0.00 N ATOM 786 CA SER A 54 -13.672 7.819 5.071 1.00 0.00 C ATOM 787 C SER A 54 -14.790 7.754 4.034 1.00 0.00 C ATOM 788 O SER A 54 -14.555 7.420 2.873 1.00 0.00 O ATOM 789 CB SER A 54 -12.426 7.109 4.540 1.00 0.00 C ATOM 790 OG SER A 54 -11.301 7.368 5.363 1.00 0.00 O ATOM 0 H SER A 54 -14.066 7.856 7.130 1.00 0.00 H new ATOM 0 HA SER A 54 -13.433 8.866 5.256 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.607 6.035 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.220 7.441 3.522 1.00 0.00 H new ATOM 0 HG SER A 54 -10.518 6.901 5.003 1.00 0.00 H new ATOM 796 N SER A 55 -16.006 8.074 4.463 1.00 0.00 N ATOM 797 CA SER A 55 -17.162 8.048 3.575 1.00 0.00 C ATOM 798 C SER A 55 -17.306 6.682 2.911 1.00 0.00 C ATOM 799 O SER A 55 -17.582 6.585 1.716 1.00 0.00 O ATOM 800 CB SER A 55 -17.035 9.135 2.506 1.00 0.00 C ATOM 801 OG SER A 55 -17.258 10.421 3.058 1.00 0.00 O ATOM 0 H SER A 55 -16.217 8.355 5.421 1.00 0.00 H new ATOM 0 HA SER A 55 -18.053 8.238 4.173 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.042 9.095 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.753 8.949 1.707 1.00 0.00 H new ATOM 0 HG SER A 55 -17.170 11.098 2.355 1.00 0.00 H new ATOM 807 N GLY A 56 -17.118 5.626 3.698 1.00 0.00 N ATOM 808 CA GLY A 56 -17.231 4.279 3.171 1.00 0.00 C ATOM 809 C GLY A 56 -18.143 3.403 4.007 1.00 0.00 C ATOM 810 O GLY A 56 -19.360 3.574 3.944 1.00 0.00 O ATOM 0 H GLY A 56 -16.890 5.680 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.610 4.322 2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.241 3.826 3.124 1.00 0.00 H new TER 814 GLY A 56 HETATM 815 ZN ZN A 201 7.839 -1.728 -0.751 1.00 0.00 ZN HETATM 816 ZN ZN A 401 -4.823 -3.484 -1.513 1.00 0.00 ZN