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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 39:sc= 0.649 USER MOD Single : A 5 SER OG : rot -55:sc= 0.0139 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 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 23 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 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.565) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -5.14! C(o=-5.1!,f=-7.1!) USER MOD Single : A 47 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.69) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0458 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 8:sc= 0.23 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.714 16.141 26.552 1.00 0.00 N ATOM 2 CA GLY A 1 -10.803 17.244 26.305 1.00 0.00 C ATOM 3 C GLY A 1 -11.090 17.950 24.994 1.00 0.00 C ATOM 4 O GLY A 1 -11.356 17.305 23.980 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.477 15.691 27.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.690 16.498 26.587 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.629 15.442 25.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.874 17.961 27.123 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.779 16.871 26.297 1.00 0.00 H new ATOM 8 N SER A 2 -11.036 19.277 25.015 1.00 0.00 N ATOM 9 CA SER A 2 -11.297 20.072 23.820 1.00 0.00 C ATOM 10 C SER A 2 -10.006 20.337 23.052 1.00 0.00 C ATOM 11 O SER A 2 -8.910 20.225 23.600 1.00 0.00 O ATOM 12 CB SER A 2 -11.961 21.397 24.199 1.00 0.00 C ATOM 13 OG SER A 2 -13.242 21.183 24.765 1.00 0.00 O ATOM 0 H SER A 2 -10.814 19.825 25.846 1.00 0.00 H new ATOM 0 HA SER A 2 -11.972 19.507 23.177 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.331 21.933 24.909 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.052 22.028 23.315 1.00 0.00 H new ATOM 0 HG SER A 2 -13.644 22.045 25.000 1.00 0.00 H new ATOM 19 N SER A 3 -10.146 20.690 21.778 1.00 0.00 N ATOM 20 CA SER A 3 -8.991 20.969 20.931 1.00 0.00 C ATOM 21 C SER A 3 -9.401 21.776 19.703 1.00 0.00 C ATOM 22 O SER A 3 -10.055 21.261 18.797 1.00 0.00 O ATOM 23 CB SER A 3 -8.324 19.662 20.497 1.00 0.00 C ATOM 24 OG SER A 3 -9.239 18.825 19.812 1.00 0.00 O ATOM 0 H SER A 3 -11.047 20.790 21.310 1.00 0.00 H new ATOM 0 HA SER A 3 -8.279 21.557 21.510 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.473 19.881 19.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.934 19.141 21.372 1.00 0.00 H new ATOM 0 HG SER A 3 -9.809 19.370 19.231 1.00 0.00 H new ATOM 30 N GLY A 4 -9.009 23.047 19.680 1.00 0.00 N ATOM 31 CA GLY A 4 -9.344 23.906 18.559 1.00 0.00 C ATOM 32 C GLY A 4 -8.241 24.894 18.236 1.00 0.00 C ATOM 33 O GLY A 4 -7.841 25.032 17.080 1.00 0.00 O ATOM 0 H GLY A 4 -8.466 23.496 20.417 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.545 23.291 17.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.261 24.451 18.784 1.00 0.00 H new ATOM 37 N SER A 5 -7.748 25.584 19.260 1.00 0.00 N ATOM 38 CA SER A 5 -6.688 26.568 19.079 1.00 0.00 C ATOM 39 C SER A 5 -5.325 25.964 19.400 1.00 0.00 C ATOM 40 O SER A 5 -4.489 26.597 20.045 1.00 0.00 O ATOM 41 CB SER A 5 -6.939 27.789 19.966 1.00 0.00 C ATOM 42 OG SER A 5 -6.234 28.921 19.488 1.00 0.00 O ATOM 0 H SER A 5 -8.066 25.479 20.223 1.00 0.00 H new ATOM 0 HA SER A 5 -6.691 26.880 18.035 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.006 28.007 19.996 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.630 27.569 20.988 1.00 0.00 H new ATOM 0 HG SER A 5 -5.283 28.702 19.403 1.00 0.00 H new ATOM 48 N SER A 6 -5.108 24.734 18.945 1.00 0.00 N ATOM 49 CA SER A 6 -3.848 24.041 19.186 1.00 0.00 C ATOM 50 C SER A 6 -3.344 23.370 17.912 1.00 0.00 C ATOM 51 O SER A 6 -4.118 22.780 17.159 1.00 0.00 O ATOM 52 CB SER A 6 -4.019 22.997 20.292 1.00 0.00 C ATOM 53 OG SER A 6 -2.762 22.530 20.751 1.00 0.00 O ATOM 0 H SER A 6 -5.789 24.197 18.407 1.00 0.00 H new ATOM 0 HA SER A 6 -3.111 24.779 19.503 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.575 23.431 21.123 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.607 22.159 19.918 1.00 0.00 H new ATOM 0 HG SER A 6 -2.898 21.865 21.458 1.00 0.00 H new ATOM 59 N GLY A 7 -2.039 23.465 17.676 1.00 0.00 N ATOM 60 CA GLY A 7 -1.452 22.864 16.493 1.00 0.00 C ATOM 61 C GLY A 7 -0.606 21.649 16.818 1.00 0.00 C ATOM 62 O GLY A 7 0.569 21.776 17.163 1.00 0.00 O ATOM 0 H GLY A 7 -1.377 23.948 18.284 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.246 22.576 15.804 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.837 23.604 15.980 1.00 0.00 H new ATOM 66 N LEU A 8 -1.204 20.468 16.709 1.00 0.00 N ATOM 67 CA LEU A 8 -0.498 19.224 16.996 1.00 0.00 C ATOM 68 C LEU A 8 -0.890 18.134 16.004 1.00 0.00 C ATOM 69 O LEU A 8 -2.053 17.736 15.929 1.00 0.00 O ATOM 70 CB LEU A 8 -0.798 18.761 18.423 1.00 0.00 C ATOM 71 CG LEU A 8 -0.401 19.728 19.540 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.272 19.513 20.767 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.070 19.560 19.892 1.00 0.00 C ATOM 0 H LEU A 8 -2.176 20.345 16.424 1.00 0.00 H new ATOM 0 HA LEU A 8 0.571 19.412 16.898 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.867 18.565 18.503 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.286 17.813 18.591 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.556 20.747 19.185 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.975 20.210 21.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.316 19.684 20.506 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.150 18.491 21.125 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.335 20.256 20.688 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.249 18.539 20.228 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.680 19.765 19.013 1.00 0.00 H new ATOM 85 N LYS A 9 0.088 17.654 15.244 1.00 0.00 N ATOM 86 CA LYS A 9 -0.152 16.607 14.257 1.00 0.00 C ATOM 87 C LYS A 9 1.161 15.979 13.800 1.00 0.00 C ATOM 88 O LYS A 9 2.072 16.677 13.355 1.00 0.00 O ATOM 89 CB LYS A 9 -0.904 17.176 13.052 1.00 0.00 C ATOM 90 CG LYS A 9 -1.058 16.188 11.909 1.00 0.00 C ATOM 91 CD LYS A 9 -1.554 16.870 10.645 1.00 0.00 C ATOM 92 CE LYS A 9 -1.155 16.094 9.400 1.00 0.00 C ATOM 93 NZ LYS A 9 -2.047 14.924 9.166 1.00 0.00 N ATOM 0 H LYS A 9 1.055 17.973 15.292 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.761 15.834 14.725 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.893 17.504 13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.377 18.059 12.690 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.100 15.706 11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.756 15.402 12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.639 16.965 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.147 17.880 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.188 16.755 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.125 15.751 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.742 14.421 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.996 14.280 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.026 15.253 9.045 1.00 0.00 H new ATOM 107 N CYS A 10 1.250 14.658 13.912 1.00 0.00 N ATOM 108 CA CYS A 10 2.451 13.936 13.510 1.00 0.00 C ATOM 109 C CYS A 10 2.128 12.481 13.185 1.00 0.00 C ATOM 110 O CYS A 10 1.495 11.783 13.977 1.00 0.00 O ATOM 111 CB CYS A 10 3.506 14.002 14.616 1.00 0.00 C ATOM 112 SG CYS A 10 5.190 13.665 14.051 1.00 0.00 S ATOM 0 H CYS A 10 0.505 14.066 14.278 1.00 0.00 H new ATOM 0 HA CYS A 10 2.846 14.411 12.612 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.478 14.992 15.071 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.245 13.286 15.395 1.00 0.00 H new ATOM 0 HG CYS A 10 6.010 13.746 15.057 1.00 0.00 H new ATOM 118 N SER A 11 2.565 12.031 12.013 1.00 0.00 N ATOM 119 CA SER A 11 2.317 10.661 11.580 1.00 0.00 C ATOM 120 C SER A 11 3.088 10.347 10.301 1.00 0.00 C ATOM 121 O SER A 11 3.319 11.226 9.470 1.00 0.00 O ATOM 122 CB SER A 11 0.821 10.437 11.355 1.00 0.00 C ATOM 123 OG SER A 11 0.585 9.226 10.657 1.00 0.00 O ATOM 0 H SER A 11 3.092 12.595 11.347 1.00 0.00 H new ATOM 0 HA SER A 11 2.663 9.990 12.366 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.305 10.413 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.406 11.272 10.791 1.00 0.00 H new ATOM 0 HG SER A 11 -0.379 9.106 10.528 1.00 0.00 H new ATOM 129 N THR A 12 3.484 9.087 10.150 1.00 0.00 N ATOM 130 CA THR A 12 4.230 8.656 8.975 1.00 0.00 C ATOM 131 C THR A 12 4.122 7.148 8.777 1.00 0.00 C ATOM 132 O THR A 12 4.248 6.377 9.728 1.00 0.00 O ATOM 133 CB THR A 12 5.718 9.043 9.080 1.00 0.00 C ATOM 134 OG1 THR A 12 6.446 8.494 7.976 1.00 0.00 O ATOM 135 CG2 THR A 12 6.316 8.544 10.387 1.00 0.00 C ATOM 0 H THR A 12 3.300 8.347 10.827 1.00 0.00 H new ATOM 0 HA THR A 12 3.789 9.165 8.118 1.00 0.00 H new ATOM 0 HB THR A 12 5.790 10.130 9.058 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.390 8.746 8.049 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.367 8.829 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.778 8.987 11.226 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.232 7.458 10.435 1.00 0.00 H new ATOM 143 N VAL A 13 3.888 6.734 7.536 1.00 0.00 N ATOM 144 CA VAL A 13 3.765 5.317 7.213 1.00 0.00 C ATOM 145 C VAL A 13 4.789 4.902 6.163 1.00 0.00 C ATOM 146 O VAL A 13 5.160 5.693 5.295 1.00 0.00 O ATOM 147 CB VAL A 13 2.353 4.980 6.700 1.00 0.00 C ATOM 148 CG1 VAL A 13 2.178 5.455 5.266 1.00 0.00 C ATOM 149 CG2 VAL A 13 2.089 3.486 6.811 1.00 0.00 C ATOM 0 H VAL A 13 3.780 7.359 6.738 1.00 0.00 H new ATOM 0 HA VAL A 13 3.950 4.764 8.134 1.00 0.00 H new ATOM 0 HB VAL A 13 1.625 5.502 7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.174 5.208 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.322 6.534 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.912 4.963 4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.087 3.265 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.822 2.942 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.169 3.179 7.854 1.00 0.00 H new ATOM 159 N VAL A 14 5.241 3.655 6.246 1.00 0.00 N ATOM 160 CA VAL A 14 6.221 3.133 5.301 1.00 0.00 C ATOM 161 C VAL A 14 5.746 1.822 4.685 1.00 0.00 C ATOM 162 O VAL A 14 4.969 1.084 5.290 1.00 0.00 O ATOM 163 CB VAL A 14 7.586 2.904 5.978 1.00 0.00 C ATOM 164 CG1 VAL A 14 8.171 4.222 6.461 1.00 0.00 C ATOM 165 CG2 VAL A 14 7.452 1.917 7.128 1.00 0.00 C ATOM 0 H VAL A 14 4.944 2.987 6.958 1.00 0.00 H new ATOM 0 HA VAL A 14 6.333 3.881 4.516 1.00 0.00 H new ATOM 0 HB VAL A 14 8.269 2.479 5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.135 4.040 6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.306 4.893 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.492 4.679 7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.426 1.767 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.753 2.311 7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.081 0.965 6.749 1.00 0.00 H new ATOM 175 N CYS A 15 6.219 1.538 3.476 1.00 0.00 N ATOM 176 CA CYS A 15 5.843 0.316 2.775 1.00 0.00 C ATOM 177 C CYS A 15 5.760 -0.862 3.742 1.00 0.00 C ATOM 178 O CYS A 15 6.734 -1.193 4.419 1.00 0.00 O ATOM 179 CB CYS A 15 6.850 0.009 1.665 1.00 0.00 C ATOM 180 SG CYS A 15 6.275 -1.232 0.461 1.00 0.00 S ATOM 0 H CYS A 15 6.864 2.138 2.961 1.00 0.00 H new ATOM 0 HA CYS A 15 4.859 0.469 2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.083 0.933 1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.777 -0.342 2.117 1.00 0.00 H new ATOM 185 N VAL A 16 4.591 -1.492 3.800 1.00 0.00 N ATOM 186 CA VAL A 16 4.381 -2.633 4.682 1.00 0.00 C ATOM 187 C VAL A 16 5.099 -3.872 4.158 1.00 0.00 C ATOM 188 O VAL A 16 4.909 -4.975 4.672 1.00 0.00 O ATOM 189 CB VAL A 16 2.882 -2.951 4.842 1.00 0.00 C ATOM 190 CG1 VAL A 16 2.140 -1.751 5.410 1.00 0.00 C ATOM 191 CG2 VAL A 16 2.284 -3.378 3.510 1.00 0.00 C ATOM 0 H VAL A 16 3.775 -1.231 3.246 1.00 0.00 H new ATOM 0 HA VAL A 16 4.793 -2.362 5.654 1.00 0.00 H new ATOM 0 HB VAL A 16 2.776 -3.778 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.083 -1.994 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.554 -1.496 6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.251 -0.902 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.225 -3.599 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.400 -2.573 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.798 -4.269 3.149 1.00 0.00 H new ATOM 201 N ILE A 17 5.923 -3.682 3.134 1.00 0.00 N ATOM 202 CA ILE A 17 6.671 -4.784 2.541 1.00 0.00 C ATOM 203 C ILE A 17 8.172 -4.602 2.743 1.00 0.00 C ATOM 204 O ILE A 17 8.839 -5.456 3.327 1.00 0.00 O ATOM 205 CB ILE A 17 6.379 -4.917 1.035 1.00 0.00 C ATOM 206 CG1 ILE A 17 4.870 -4.942 0.786 1.00 0.00 C ATOM 207 CG2 ILE A 17 7.035 -6.171 0.477 1.00 0.00 C ATOM 208 CD1 ILE A 17 4.154 -6.050 1.526 1.00 0.00 C ATOM 0 H ILE A 17 6.090 -2.775 2.697 1.00 0.00 H new ATOM 0 HA ILE A 17 6.347 -5.693 3.047 1.00 0.00 H new ATOM 0 HB ILE A 17 6.798 -4.052 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.445 -3.983 1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.688 -5.053 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.819 -6.251 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.113 -6.115 0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.643 -7.047 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.088 -6.007 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.552 -7.014 1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.305 -5.928 2.599 1.00 0.00 H new ATOM 220 N CYS A 18 8.696 -3.482 2.256 1.00 0.00 N ATOM 221 CA CYS A 18 10.118 -3.185 2.384 1.00 0.00 C ATOM 222 C CYS A 18 10.349 -2.048 3.375 1.00 0.00 C ATOM 223 O CYS A 18 11.480 -1.796 3.795 1.00 0.00 O ATOM 224 CB CYS A 18 10.707 -2.816 1.021 1.00 0.00 C ATOM 225 SG CYS A 18 10.057 -1.263 0.325 1.00 0.00 S ATOM 0 H CYS A 18 8.157 -2.765 1.769 1.00 0.00 H new ATOM 0 HA CYS A 18 10.618 -4.078 2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.790 -2.734 1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.509 -3.627 0.320 1.00 0.00 H new ATOM 230 N LEU A 19 9.272 -1.364 3.744 1.00 0.00 N ATOM 231 CA LEU A 19 9.356 -0.254 4.687 1.00 0.00 C ATOM 232 C LEU A 19 10.193 0.885 4.112 1.00 0.00 C ATOM 233 O LEU A 19 11.160 1.329 4.729 1.00 0.00 O ATOM 234 CB LEU A 19 9.959 -0.727 6.010 1.00 0.00 C ATOM 235 CG LEU A 19 9.148 -1.767 6.784 1.00 0.00 C ATOM 236 CD1 LEU A 19 9.377 -3.157 6.209 1.00 0.00 C ATOM 237 CD2 LEU A 19 9.508 -1.733 8.262 1.00 0.00 C ATOM 0 H LEU A 19 8.330 -1.558 3.405 1.00 0.00 H new ATOM 0 HA LEU A 19 8.346 0.115 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.946 -1.142 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.104 0.142 6.651 1.00 0.00 H new ATOM 0 HG LEU A 19 8.090 -1.524 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.792 -3.884 6.772 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.068 -3.174 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.435 -3.410 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.921 -2.480 8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 19 10.569 -1.951 8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.292 -0.744 8.666 1.00 0.00 H new ATOM 249 N GLU A 20 9.811 1.354 2.928 1.00 0.00 N ATOM 250 CA GLU A 20 10.526 2.443 2.272 1.00 0.00 C ATOM 251 C GLU A 20 9.554 3.508 1.772 1.00 0.00 C ATOM 252 O GLU A 20 8.368 3.241 1.578 1.00 0.00 O ATOM 253 CB GLU A 20 11.357 1.906 1.105 1.00 0.00 C ATOM 254 CG GLU A 20 12.436 0.923 1.527 1.00 0.00 C ATOM 255 CD GLU A 20 13.633 0.937 0.597 1.00 0.00 C ATOM 256 OE1 GLU A 20 13.464 0.594 -0.592 1.00 0.00 O ATOM 257 OE2 GLU A 20 14.739 1.289 1.058 1.00 0.00 O ATOM 0 H GLU A 20 9.012 0.998 2.404 1.00 0.00 H new ATOM 0 HA GLU A 20 11.193 2.899 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.693 1.419 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.823 2.744 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.764 1.161 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.015 -0.082 1.557 1.00 0.00 H new ATOM 264 N LYS A 21 10.066 4.716 1.565 1.00 0.00 N ATOM 265 CA LYS A 21 9.246 5.823 1.086 1.00 0.00 C ATOM 266 C LYS A 21 8.281 5.356 0.001 1.00 0.00 C ATOM 267 O LYS A 21 8.652 5.180 -1.160 1.00 0.00 O ATOM 268 CB LYS A 21 10.134 6.946 0.545 1.00 0.00 C ATOM 269 CG LYS A 21 10.700 7.849 1.628 1.00 0.00 C ATOM 270 CD LYS A 21 11.954 8.565 1.157 1.00 0.00 C ATOM 271 CE LYS A 21 11.616 9.792 0.323 1.00 0.00 C ATOM 272 NZ LYS A 21 11.482 11.014 1.163 1.00 0.00 N ATOM 0 H LYS A 21 11.045 4.954 1.721 1.00 0.00 H new ATOM 0 HA LYS A 21 8.664 6.201 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.958 6.507 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.556 7.550 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.949 8.583 1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.929 7.257 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.550 8.863 2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.565 7.881 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.394 9.949 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.685 9.619 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.252 11.828 0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.723 10.875 1.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.378 11.194 1.659 1.00 0.00 H new ATOM 286 N PRO A 22 7.012 5.152 0.385 1.00 0.00 N ATOM 287 CA PRO A 22 5.968 4.705 -0.542 1.00 0.00 C ATOM 288 C PRO A 22 5.592 5.781 -1.554 1.00 0.00 C ATOM 289 O PRO A 22 5.133 6.863 -1.185 1.00 0.00 O ATOM 290 CB PRO A 22 4.784 4.400 0.379 1.00 0.00 C ATOM 291 CG PRO A 22 5.008 5.253 1.580 1.00 0.00 C ATOM 292 CD PRO A 22 6.499 5.342 1.752 1.00 0.00 C ATOM 0 HA PRO A 22 6.291 3.853 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.836 4.637 -0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.751 3.343 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.571 6.242 1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.539 4.817 2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.799 6.306 2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 22 6.872 4.575 2.431 1.00 0.00 H new ATOM 300 N LYS A 23 5.787 5.478 -2.833 1.00 0.00 N ATOM 301 CA LYS A 23 5.467 6.418 -3.900 1.00 0.00 C ATOM 302 C LYS A 23 3.963 6.465 -4.151 1.00 0.00 C ATOM 303 O LYS A 23 3.401 7.528 -4.418 1.00 0.00 O ATOM 304 CB LYS A 23 6.198 6.029 -5.188 1.00 0.00 C ATOM 305 CG LYS A 23 7.697 6.267 -5.132 1.00 0.00 C ATOM 306 CD LYS A 23 8.418 5.121 -4.442 1.00 0.00 C ATOM 307 CE LYS A 23 9.835 4.956 -4.969 1.00 0.00 C ATOM 308 NZ LYS A 23 10.750 4.396 -3.936 1.00 0.00 N ATOM 0 H LYS A 23 6.166 4.588 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 23 5.797 7.409 -3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.013 4.975 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.779 6.596 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.085 6.386 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.899 7.197 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.447 5.302 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.862 4.196 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.825 4.299 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.213 5.922 -5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.706 4.299 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.780 5.035 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.404 3.463 -3.635 1.00 0.00 H new ATOM 322 N TYR A 24 3.317 5.308 -4.062 1.00 0.00 N ATOM 323 CA TYR A 24 1.878 5.217 -4.281 1.00 0.00 C ATOM 324 C TYR A 24 1.224 4.321 -3.234 1.00 0.00 C ATOM 325 O TYR A 24 1.907 3.668 -2.445 1.00 0.00 O ATOM 326 CB TYR A 24 1.587 4.680 -5.683 1.00 0.00 C ATOM 327 CG TYR A 24 2.623 5.075 -6.710 1.00 0.00 C ATOM 328 CD1 TYR A 24 3.813 4.368 -6.833 1.00 0.00 C ATOM 329 CD2 TYR A 24 2.414 6.156 -7.557 1.00 0.00 C ATOM 330 CE1 TYR A 24 4.763 4.725 -7.770 1.00 0.00 C ATOM 331 CE2 TYR A 24 3.358 6.520 -8.498 1.00 0.00 C ATOM 332 CZ TYR A 24 4.531 5.802 -8.600 1.00 0.00 C ATOM 333 OH TYR A 24 5.474 6.162 -9.535 1.00 0.00 O ATOM 0 H TYR A 24 3.767 4.420 -3.840 1.00 0.00 H new ATOM 0 HA TYR A 24 1.458 6.219 -4.189 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.526 3.593 -5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.611 5.042 -6.006 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.998 3.524 -6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.497 6.722 -7.479 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.682 4.164 -7.852 1.00 0.00 H new ATOM 0 HE2 TYR A 24 3.178 7.362 -9.150 1.00 0.00 H new ATOM 0 HH TYR A 24 5.155 6.940 -10.039 1.00 0.00 H new ATOM 343 N ARG A 25 -0.105 4.294 -3.235 1.00 0.00 N ATOM 344 CA ARG A 25 -0.853 3.479 -2.286 1.00 0.00 C ATOM 345 C ARG A 25 -1.977 2.721 -2.987 1.00 0.00 C ATOM 346 O ARG A 25 -2.598 3.233 -3.919 1.00 0.00 O ATOM 347 CB ARG A 25 -1.432 4.355 -1.173 1.00 0.00 C ATOM 348 CG ARG A 25 -0.410 4.763 -0.125 1.00 0.00 C ATOM 349 CD ARG A 25 -1.077 5.382 1.093 1.00 0.00 C ATOM 350 NE ARG A 25 -1.406 4.381 2.104 1.00 0.00 N ATOM 351 CZ ARG A 25 -1.553 4.661 3.394 1.00 0.00 C ATOM 352 NH1 ARG A 25 -1.400 5.904 3.828 1.00 0.00 N ATOM 353 NH2 ARG A 25 -1.853 3.695 4.254 1.00 0.00 N ATOM 0 H ARG A 25 -0.685 4.827 -3.882 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.166 2.754 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.864 5.253 -1.616 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.245 3.818 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.168 3.891 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.292 5.476 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.415 6.132 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.986 5.899 0.785 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.530 3.414 1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.169 6.649 3.171 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.514 6.116 4.819 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.971 2.737 3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.966 3.911 5.245 1.00 0.00 H new ATOM 367 N CYS A 26 -2.231 1.498 -2.534 1.00 0.00 N ATOM 368 CA CYS A 26 -3.278 0.668 -3.118 1.00 0.00 C ATOM 369 C CYS A 26 -4.589 1.442 -3.224 1.00 0.00 C ATOM 370 O CYS A 26 -5.112 1.965 -2.239 1.00 0.00 O ATOM 371 CB CYS A 26 -3.484 -0.594 -2.279 1.00 0.00 C ATOM 372 SG CYS A 26 -4.625 -1.803 -3.024 1.00 0.00 S ATOM 0 H CYS A 26 -1.726 1.060 -1.764 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.963 0.381 -4.122 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -2.518 -1.073 -2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.864 -0.308 -1.298 1.00 0.00 H new ATOM 377 N PRO A 27 -5.135 1.516 -4.447 1.00 0.00 N ATOM 378 CA PRO A 27 -6.392 2.222 -4.711 1.00 0.00 C ATOM 379 C PRO A 27 -7.597 1.506 -4.110 1.00 0.00 C ATOM 380 O PRO A 27 -8.743 1.863 -4.381 1.00 0.00 O ATOM 381 CB PRO A 27 -6.482 2.229 -6.239 1.00 0.00 C ATOM 382 CG PRO A 27 -5.679 1.050 -6.670 1.00 0.00 C ATOM 383 CD PRO A 27 -4.567 0.916 -5.666 1.00 0.00 C ATOM 0 HA PRO A 27 -6.401 3.217 -4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.516 2.149 -6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.083 3.154 -6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.292 0.149 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.282 1.195 -7.675 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.290 -0.127 -5.509 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.667 1.439 -5.990 1.00 0.00 H new ATOM 391 N ALA A 28 -7.330 0.494 -3.291 1.00 0.00 N ATOM 392 CA ALA A 28 -8.392 -0.271 -2.650 1.00 0.00 C ATOM 393 C ALA A 28 -8.333 -0.127 -1.133 1.00 0.00 C ATOM 394 O ALA A 28 -9.234 0.444 -0.518 1.00 0.00 O ATOM 395 CB ALA A 28 -8.301 -1.737 -3.046 1.00 0.00 C ATOM 0 H ALA A 28 -6.387 0.185 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.348 0.127 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.101 -2.296 -2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.400 -1.829 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.337 -2.139 -2.735 1.00 0.00 H new ATOM 401 N CYS A 29 -7.268 -0.648 -0.534 1.00 0.00 N ATOM 402 CA CYS A 29 -7.091 -0.579 0.911 1.00 0.00 C ATOM 403 C CYS A 29 -6.283 0.655 1.302 1.00 0.00 C ATOM 404 O CYS A 29 -6.302 1.082 2.457 1.00 0.00 O ATOM 405 CB CYS A 29 -6.394 -1.841 1.422 1.00 0.00 C ATOM 406 SG CYS A 29 -4.867 -2.263 0.523 1.00 0.00 S ATOM 0 H CYS A 29 -6.513 -1.124 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.077 -0.506 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.157 -1.710 2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -7.087 -2.679 1.353 1.00 0.00 H new ATOM 411 N ARG A 30 -5.575 1.223 0.332 1.00 0.00 N ATOM 412 CA ARG A 30 -4.759 2.407 0.574 1.00 0.00 C ATOM 413 C ARG A 30 -3.521 2.056 1.394 1.00 0.00 C ATOM 414 O ARG A 30 -3.197 2.733 2.370 1.00 0.00 O ATOM 415 CB ARG A 30 -5.578 3.477 1.300 1.00 0.00 C ATOM 416 CG ARG A 30 -6.946 3.718 0.684 1.00 0.00 C ATOM 417 CD ARG A 30 -6.838 4.456 -0.642 1.00 0.00 C ATOM 418 NE ARG A 30 -8.102 5.079 -1.026 1.00 0.00 N ATOM 419 CZ ARG A 30 -8.389 5.455 -2.267 1.00 0.00 C ATOM 420 NH1 ARG A 30 -7.507 5.270 -3.240 1.00 0.00 N ATOM 421 NH2 ARG A 30 -9.560 6.015 -2.538 1.00 0.00 N ATOM 0 H ARG A 30 -5.550 0.883 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.436 2.798 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.705 3.181 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.019 4.413 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.450 2.764 0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.560 4.296 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.064 5.220 -0.569 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.526 3.759 -1.420 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.803 5.234 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.606 4.838 -3.036 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.730 5.560 -4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.242 6.158 -1.793 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.779 6.303 -3.492 1.00 0.00 H new ATOM 435 N VAL A 31 -2.832 0.993 0.990 1.00 0.00 N ATOM 436 CA VAL A 31 -1.629 0.552 1.686 1.00 0.00 C ATOM 437 C VAL A 31 -0.378 1.148 1.052 1.00 0.00 C ATOM 438 O VAL A 31 -0.302 1.352 -0.160 1.00 0.00 O ATOM 439 CB VAL A 31 -1.511 -0.983 1.684 1.00 0.00 C ATOM 440 CG1 VAL A 31 -2.582 -1.602 2.570 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.604 -1.523 0.265 1.00 0.00 C ATOM 0 H VAL A 31 -3.087 0.422 0.184 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.712 0.901 2.715 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.536 -1.255 2.089 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.483 -2.687 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.463 -1.240 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.568 -1.323 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.519 -2.610 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.563 -1.241 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.797 -1.105 -0.337 1.00 0.00 H new ATOM 451 N PRO A 32 0.630 1.436 1.889 1.00 0.00 N ATOM 452 CA PRO A 32 1.899 2.012 1.432 1.00 0.00 C ATOM 453 C PRO A 32 2.726 1.021 0.619 1.00 0.00 C ATOM 454 O PRO A 32 3.122 -0.031 1.121 1.00 0.00 O ATOM 455 CB PRO A 32 2.618 2.365 2.736 1.00 0.00 C ATOM 456 CG PRO A 32 2.042 1.438 3.750 1.00 0.00 C ATOM 457 CD PRO A 32 0.610 1.220 3.345 1.00 0.00 C ATOM 0 HA PRO A 32 1.745 2.864 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.696 2.230 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.450 3.406 3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.589 0.495 3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.104 1.866 4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.270 0.216 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.060 1.919 3.846 1.00 0.00 H new ATOM 465 N TYR A 33 2.983 1.364 -0.638 1.00 0.00 N ATOM 466 CA TYR A 33 3.762 0.504 -1.521 1.00 0.00 C ATOM 467 C TYR A 33 4.616 1.333 -2.475 1.00 0.00 C ATOM 468 O TYR A 33 4.114 2.219 -3.168 1.00 0.00 O ATOM 469 CB TYR A 33 2.835 -0.416 -2.318 1.00 0.00 C ATOM 470 CG TYR A 33 2.444 0.141 -3.668 1.00 0.00 C ATOM 471 CD1 TYR A 33 3.389 0.312 -4.672 1.00 0.00 C ATOM 472 CD2 TYR A 33 1.128 0.494 -3.941 1.00 0.00 C ATOM 473 CE1 TYR A 33 3.036 0.821 -5.906 1.00 0.00 C ATOM 474 CE2 TYR A 33 0.766 1.002 -5.173 1.00 0.00 C ATOM 475 CZ TYR A 33 1.723 1.164 -6.152 1.00 0.00 C ATOM 476 OH TYR A 33 1.367 1.670 -7.382 1.00 0.00 O ATOM 0 H TYR A 33 2.663 2.232 -1.069 1.00 0.00 H new ATOM 0 HA TYR A 33 4.424 -0.103 -0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.326 -1.379 -2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.933 -0.602 -1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.418 0.042 -4.484 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.375 0.369 -3.177 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.784 0.950 -6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.262 1.271 -5.369 1.00 0.00 H new ATOM 0 HH TYR A 33 0.406 1.860 -7.392 1.00 0.00 H new ATOM 486 N CYS A 34 5.912 1.039 -2.505 1.00 0.00 N ATOM 487 CA CYS A 34 6.839 1.756 -3.373 1.00 0.00 C ATOM 488 C CYS A 34 6.513 1.505 -4.842 1.00 0.00 C ATOM 489 O CYS A 34 6.047 2.401 -5.547 1.00 0.00 O ATOM 490 CB CYS A 34 8.279 1.329 -3.079 1.00 0.00 C ATOM 491 SG CYS A 34 8.474 -0.453 -2.752 1.00 0.00 S ATOM 0 H CYS A 34 6.344 0.309 -1.938 1.00 0.00 H new ATOM 0 HA CYS A 34 6.735 2.822 -3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.908 1.603 -3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.644 1.888 -2.217 1.00 0.00 H new ATOM 496 N SER A 35 6.760 0.281 -5.297 1.00 0.00 N ATOM 497 CA SER A 35 6.496 -0.087 -6.684 1.00 0.00 C ATOM 498 C SER A 35 5.439 -1.184 -6.763 1.00 0.00 C ATOM 499 O SER A 35 4.943 -1.659 -5.741 1.00 0.00 O ATOM 500 CB SER A 35 7.784 -0.554 -7.363 1.00 0.00 C ATOM 501 OG SER A 35 7.768 -0.254 -8.748 1.00 0.00 O ATOM 0 H SER A 35 7.142 -0.473 -4.726 1.00 0.00 H new ATOM 0 HA SER A 35 6.119 0.794 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.642 -0.072 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.905 -1.628 -7.222 1.00 0.00 H new ATOM 0 HG SER A 35 8.603 -0.561 -9.159 1.00 0.00 H new ATOM 507 N VAL A 36 5.098 -1.582 -7.984 1.00 0.00 N ATOM 508 CA VAL A 36 4.100 -2.623 -8.199 1.00 0.00 C ATOM 509 C VAL A 36 4.538 -3.941 -7.569 1.00 0.00 C ATOM 510 O VAL A 36 3.710 -4.725 -7.105 1.00 0.00 O ATOM 511 CB VAL A 36 3.836 -2.847 -9.699 1.00 0.00 C ATOM 512 CG1 VAL A 36 2.832 -3.971 -9.903 1.00 0.00 C ATOM 513 CG2 VAL A 36 3.349 -1.562 -10.352 1.00 0.00 C ATOM 0 H VAL A 36 5.499 -1.199 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 36 3.180 -2.283 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 36 4.773 -3.138 -10.175 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.658 -4.115 -10.969 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.224 -4.892 -9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.893 -3.713 -9.414 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.167 -1.739 -11.412 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.424 -1.239 -9.874 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.106 -0.786 -10.238 1.00 0.00 H new ATOM 523 N VAL A 37 5.845 -4.179 -7.555 1.00 0.00 N ATOM 524 CA VAL A 37 6.394 -5.401 -6.980 1.00 0.00 C ATOM 525 C VAL A 37 5.846 -5.644 -5.579 1.00 0.00 C ATOM 526 O VAL A 37 5.144 -6.625 -5.336 1.00 0.00 O ATOM 527 CB VAL A 37 7.932 -5.350 -6.917 1.00 0.00 C ATOM 528 CG1 VAL A 37 8.482 -6.611 -6.268 1.00 0.00 C ATOM 529 CG2 VAL A 37 8.516 -5.159 -8.309 1.00 0.00 C ATOM 0 H VAL A 37 6.544 -3.541 -7.936 1.00 0.00 H new ATOM 0 HA VAL A 37 6.092 -6.221 -7.632 1.00 0.00 H new ATOM 0 HB VAL A 37 8.225 -4.497 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.570 -6.557 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.090 -6.700 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.181 -7.481 -6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.604 -5.125 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.215 -5.990 -8.947 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.148 -4.225 -8.733 1.00 0.00 H new ATOM 539 N CYS A 38 6.172 -4.742 -4.658 1.00 0.00 N ATOM 540 CA CYS A 38 5.713 -4.857 -3.279 1.00 0.00 C ATOM 541 C CYS A 38 4.194 -4.986 -3.220 1.00 0.00 C ATOM 542 O CYS A 38 3.648 -5.613 -2.312 1.00 0.00 O ATOM 543 CB CYS A 38 6.164 -3.641 -2.467 1.00 0.00 C ATOM 544 SG CYS A 38 7.847 -3.786 -1.783 1.00 0.00 S ATOM 0 H CYS A 38 6.752 -3.924 -4.842 1.00 0.00 H new ATOM 0 HA CYS A 38 6.153 -5.757 -2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.116 -2.756 -3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.463 -3.484 -1.648 1.00 0.00 H new ATOM 549 N PHE A 39 3.517 -4.389 -4.195 1.00 0.00 N ATOM 550 CA PHE A 39 2.060 -4.436 -4.255 1.00 0.00 C ATOM 551 C PHE A 39 1.579 -5.806 -4.723 1.00 0.00 C ATOM 552 O PHE A 39 0.534 -6.291 -4.289 1.00 0.00 O ATOM 553 CB PHE A 39 1.531 -3.349 -5.193 1.00 0.00 C ATOM 554 CG PHE A 39 0.050 -3.431 -5.430 1.00 0.00 C ATOM 555 CD1 PHE A 39 -0.833 -3.476 -4.364 1.00 0.00 C ATOM 556 CD2 PHE A 39 -0.458 -3.462 -6.718 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.197 -3.550 -4.578 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.820 -3.536 -6.939 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.691 -3.582 -5.867 1.00 0.00 C ATOM 0 H PHE A 39 3.954 -3.867 -4.955 1.00 0.00 H new ATOM 0 HA PHE A 39 1.674 -4.258 -3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.770 -2.371 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.049 -3.422 -6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.452 -3.453 -3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.218 -3.428 -7.559 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.875 -3.583 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.203 -3.558 -7.948 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.756 -3.643 -6.037 1.00 0.00 H new ATOM 569 N ARG A 40 2.350 -6.426 -5.611 1.00 0.00 N ATOM 570 CA ARG A 40 2.003 -7.739 -6.139 1.00 0.00 C ATOM 571 C ARG A 40 1.662 -8.707 -5.010 1.00 0.00 C ATOM 572 O ARG A 40 0.531 -9.183 -4.906 1.00 0.00 O ATOM 573 CB ARG A 40 3.157 -8.298 -6.974 1.00 0.00 C ATOM 574 CG ARG A 40 3.354 -7.581 -8.299 1.00 0.00 C ATOM 575 CD ARG A 40 4.147 -8.431 -9.280 1.00 0.00 C ATOM 576 NE ARG A 40 4.406 -7.724 -10.531 1.00 0.00 N ATOM 577 CZ ARG A 40 3.547 -7.684 -11.544 1.00 0.00 C ATOM 578 NH1 ARG A 40 2.380 -8.307 -11.454 1.00 0.00 N ATOM 579 NH2 ARG A 40 3.855 -7.020 -12.651 1.00 0.00 N ATOM 0 H ARG A 40 3.219 -6.039 -5.979 1.00 0.00 H new ATOM 0 HA ARG A 40 1.125 -7.626 -6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.078 -8.233 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.976 -9.355 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.383 -7.337 -8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.874 -6.638 -8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.094 -8.722 -8.825 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.599 -9.350 -9.489 1.00 0.00 H new ATOM 0 HE ARG A 40 5.295 -7.234 -10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.139 -8.819 -10.605 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.723 -8.274 -12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.752 -6.540 -12.725 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.195 -6.990 -13.428 1.00 0.00 H new ATOM 593 N LYS A 41 2.648 -8.995 -4.167 1.00 0.00 N ATOM 594 CA LYS A 41 2.453 -9.905 -3.044 1.00 0.00 C ATOM 595 C LYS A 41 1.198 -9.540 -2.258 1.00 0.00 C ATOM 596 O LYS A 41 0.288 -10.355 -2.109 1.00 0.00 O ATOM 597 CB LYS A 41 3.673 -9.876 -2.121 1.00 0.00 C ATOM 598 CG LYS A 41 4.983 -10.166 -2.833 1.00 0.00 C ATOM 599 CD LYS A 41 6.155 -9.488 -2.144 1.00 0.00 C ATOM 600 CE LYS A 41 6.713 -10.345 -1.019 1.00 0.00 C ATOM 601 NZ LYS A 41 7.567 -9.555 -0.090 1.00 0.00 N ATOM 0 H LYS A 41 3.590 -8.611 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 41 2.330 -10.912 -3.442 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.736 -8.896 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.533 -10.607 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.151 -11.243 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.920 -9.824 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.940 -9.287 -2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.836 -8.525 -1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.890 -10.794 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.296 -11.163 -1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.299 -10.171 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.019 -8.777 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.980 -9.164 0.674 1.00 0.00 H new ATOM 615 N HIS A 42 1.156 -8.309 -1.759 1.00 0.00 N ATOM 616 CA HIS A 42 0.011 -7.835 -0.990 1.00 0.00 C ATOM 617 C HIS A 42 -1.296 -8.145 -1.714 1.00 0.00 C ATOM 618 O HIS A 42 -2.243 -8.657 -1.116 1.00 0.00 O ATOM 619 CB HIS A 42 0.124 -6.331 -0.740 1.00 0.00 C ATOM 620 CG HIS A 42 -1.199 -5.632 -0.681 1.00 0.00 C ATOM 621 ND1 HIS A 42 -1.928 -5.498 0.482 1.00 0.00 N ATOM 622 CD2 HIS A 42 -1.923 -5.024 -1.649 1.00 0.00 C ATOM 623 CE1 HIS A 42 -3.045 -4.840 0.225 1.00 0.00 C ATOM 624 NE2 HIS A 42 -3.066 -4.541 -1.061 1.00 0.00 N ATOM 0 H HIS A 42 1.901 -7.622 -1.873 1.00 0.00 H new ATOM 0 HA HIS A 42 0.008 -8.356 -0.032 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.655 -6.166 0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.727 -5.884 -1.531 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -1.649 -5.851 1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.652 -4.935 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.810 -4.589 0.944 1.00 0.00 H new ATOM 632 N LYS A 43 -1.340 -7.831 -3.004 1.00 0.00 N ATOM 633 CA LYS A 43 -2.530 -8.076 -3.811 1.00 0.00 C ATOM 634 C LYS A 43 -3.067 -9.484 -3.575 1.00 0.00 C ATOM 635 O LYS A 43 -4.276 -9.709 -3.599 1.00 0.00 O ATOM 636 CB LYS A 43 -2.213 -7.881 -5.295 1.00 0.00 C ATOM 637 CG LYS A 43 -3.427 -8.015 -6.199 1.00 0.00 C ATOM 638 CD LYS A 43 -4.340 -6.805 -6.089 1.00 0.00 C ATOM 639 CE LYS A 43 -5.345 -6.759 -7.229 1.00 0.00 C ATOM 640 NZ LYS A 43 -5.861 -5.381 -7.459 1.00 0.00 N ATOM 0 H LYS A 43 -0.565 -7.406 -3.514 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.296 -7.360 -3.512 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.772 -6.895 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.463 -8.612 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.101 -8.133 -7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.981 -8.916 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.870 -6.833 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.741 -5.894 -6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.876 -7.128 -8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.178 -7.426 -7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.543 -5.392 -8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.331 -5.038 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.070 -4.749 -7.697 1.00 0.00 H new ATOM 654 N GLU A 44 -2.159 -10.428 -3.347 1.00 0.00 N ATOM 655 CA GLU A 44 -2.543 -11.814 -3.106 1.00 0.00 C ATOM 656 C GLU A 44 -3.568 -11.907 -1.979 1.00 0.00 C ATOM 657 O GLU A 44 -4.498 -12.711 -2.037 1.00 0.00 O ATOM 658 CB GLU A 44 -1.312 -12.656 -2.762 1.00 0.00 C ATOM 659 CG GLU A 44 -1.055 -12.776 -1.269 1.00 0.00 C ATOM 660 CD GLU A 44 0.045 -13.767 -0.945 1.00 0.00 C ATOM 661 OE1 GLU A 44 -0.259 -14.971 -0.813 1.00 0.00 O ATOM 662 OE2 GLU A 44 1.212 -13.338 -0.824 1.00 0.00 O ATOM 0 H GLU A 44 -1.153 -10.258 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.996 -12.202 -4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.436 -13.654 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.436 -12.216 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.787 -11.798 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.974 -13.083 -0.769 1.00 0.00 H new ATOM 669 N GLN A 45 -3.388 -11.079 -0.954 1.00 0.00 N ATOM 670 CA GLN A 45 -4.295 -11.069 0.187 1.00 0.00 C ATOM 671 C GLN A 45 -4.772 -9.652 0.490 1.00 0.00 C ATOM 672 O GLN A 45 -5.117 -9.332 1.628 1.00 0.00 O ATOM 673 CB GLN A 45 -3.608 -11.663 1.417 1.00 0.00 C ATOM 674 CG GLN A 45 -2.497 -10.788 1.975 1.00 0.00 C ATOM 675 CD GLN A 45 -1.136 -11.141 1.407 1.00 0.00 C ATOM 676 OE1 GLN A 45 -0.512 -10.337 0.713 1.00 0.00 O ATOM 677 NE2 GLN A 45 -0.667 -12.349 1.699 1.00 0.00 N ATOM 0 H GLN A 45 -2.623 -10.407 -0.891 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.163 -11.679 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.354 -11.829 2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.196 -12.638 1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.718 -9.743 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.471 -10.888 3.060 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.217 -12.984 2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.243 -12.642 1.345 1.00 0.00 H new ATOM 686 N CYS A 46 -4.789 -8.807 -0.535 1.00 0.00 N ATOM 687 CA CYS A 46 -5.222 -7.423 -0.378 1.00 0.00 C ATOM 688 C CYS A 46 -6.608 -7.356 0.257 1.00 0.00 C ATOM 689 O CYS A 46 -7.568 -7.924 -0.261 1.00 0.00 O ATOM 690 CB CYS A 46 -5.236 -6.715 -1.734 1.00 0.00 C ATOM 691 SG CYS A 46 -6.238 -5.194 -1.769 1.00 0.00 S ATOM 0 H CYS A 46 -4.508 -9.056 -1.483 1.00 0.00 H new ATOM 0 HA CYS A 46 -4.515 -6.919 0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.212 -6.469 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.615 -7.405 -2.488 1.00 0.00 H new ATOM 696 N ASN A 47 -6.703 -6.657 1.384 1.00 0.00 N ATOM 697 CA ASN A 47 -7.970 -6.515 2.091 1.00 0.00 C ATOM 698 C ASN A 47 -8.400 -5.052 2.148 1.00 0.00 C ATOM 699 O ASN A 47 -7.914 -4.268 2.964 1.00 0.00 O ATOM 700 CB ASN A 47 -7.854 -7.080 3.508 1.00 0.00 C ATOM 701 CG ASN A 47 -7.162 -8.430 3.537 1.00 0.00 C ATOM 702 OD1 ASN A 47 -6.063 -8.565 4.075 1.00 0.00 O ATOM 703 ND2 ASN A 47 -7.805 -9.436 2.956 1.00 0.00 N ATOM 0 H ASN A 47 -5.917 -6.180 1.827 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.727 -7.077 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.301 -6.378 4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.850 -7.176 3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.389 -10.367 2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.714 -9.277 2.522 1.00 0.00 H new ATOM 710 N PRO A 48 -9.335 -4.675 1.263 1.00 0.00 N ATOM 711 CA PRO A 48 -9.852 -3.305 1.194 1.00 0.00 C ATOM 712 C PRO A 48 -10.712 -2.948 2.402 1.00 0.00 C ATOM 713 O PRO A 48 -10.867 -3.750 3.323 1.00 0.00 O ATOM 714 CB PRO A 48 -10.698 -3.310 -0.082 1.00 0.00 C ATOM 715 CG PRO A 48 -11.101 -4.732 -0.264 1.00 0.00 C ATOM 716 CD PRO A 48 -9.959 -5.557 0.263 1.00 0.00 C ATOM 0 HA PRO A 48 -9.050 -2.566 1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.568 -2.662 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.127 -2.948 -0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.022 -4.949 0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.290 -4.953 -1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.308 -6.488 0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -9.259 -5.826 -0.528 1.00 0.00 H new ATOM 724 N GLU A 49 -11.269 -1.741 2.391 1.00 0.00 N ATOM 725 CA GLU A 49 -12.112 -1.280 3.487 1.00 0.00 C ATOM 726 C GLU A 49 -13.587 -1.516 3.174 1.00 0.00 C ATOM 727 O GLU A 49 -14.289 -0.614 2.715 1.00 0.00 O ATOM 728 CB GLU A 49 -11.869 0.207 3.756 1.00 0.00 C ATOM 729 CG GLU A 49 -10.674 0.474 4.657 1.00 0.00 C ATOM 730 CD GLU A 49 -9.365 0.516 3.893 1.00 0.00 C ATOM 731 OE1 GLU A 49 -9.275 1.282 2.910 1.00 0.00 O ATOM 732 OE2 GLU A 49 -8.431 -0.218 4.278 1.00 0.00 O ATOM 0 H GLU A 49 -11.152 -1.066 1.636 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.851 -1.851 4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.719 0.720 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.761 0.636 4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.819 1.422 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.620 -0.301 5.421 1.00 0.00 H new ATOM 739 N THR A 50 -14.052 -2.736 3.426 1.00 0.00 N ATOM 740 CA THR A 50 -15.441 -3.093 3.171 1.00 0.00 C ATOM 741 C THR A 50 -16.307 -2.847 4.402 1.00 0.00 C ATOM 742 O THR A 50 -17.368 -2.229 4.312 1.00 0.00 O ATOM 743 CB THR A 50 -15.574 -4.568 2.751 1.00 0.00 C ATOM 744 OG1 THR A 50 -14.999 -5.417 3.751 1.00 0.00 O ATOM 745 CG2 THR A 50 -14.890 -4.814 1.415 1.00 0.00 C ATOM 0 H THR A 50 -13.485 -3.494 3.807 1.00 0.00 H new ATOM 0 HA THR A 50 -15.785 -2.458 2.355 1.00 0.00 H new ATOM 0 HB THR A 50 -16.634 -4.798 2.646 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.090 -6.353 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.997 -5.863 1.139 1.00 0.00 H new ATOM 0 HG22 THR A 50 -15.350 -4.189 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.832 -4.567 1.497 1.00 0.00 H new ATOM 753 N SER A 51 -15.847 -3.333 5.550 1.00 0.00 N ATOM 754 CA SER A 51 -16.581 -3.168 6.799 1.00 0.00 C ATOM 755 C SER A 51 -16.569 -1.710 7.248 1.00 0.00 C ATOM 756 O SER A 51 -17.590 -1.171 7.672 1.00 0.00 O ATOM 757 CB SER A 51 -15.979 -4.055 7.890 1.00 0.00 C ATOM 758 OG SER A 51 -16.242 -5.424 7.638 1.00 0.00 O ATOM 0 H SER A 51 -14.969 -3.844 5.641 1.00 0.00 H new ATOM 0 HA SER A 51 -17.615 -3.468 6.627 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.903 -3.892 7.942 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.391 -3.775 8.859 1.00 0.00 H new ATOM 0 HG SER A 51 -15.845 -5.970 8.349 1.00 0.00 H new ATOM 764 N GLY A 52 -15.404 -1.077 7.151 1.00 0.00 N ATOM 765 CA GLY A 52 -15.279 0.313 7.551 1.00 0.00 C ATOM 766 C GLY A 52 -13.883 0.654 8.031 1.00 0.00 C ATOM 767 O GLY A 52 -12.895 0.045 7.620 1.00 0.00 O ATOM 0 H GLY A 52 -14.544 -1.502 6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -15.537 0.955 6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.995 0.525 8.345 1.00 0.00 H new ATOM 771 N PRO A 53 -13.787 1.652 8.923 1.00 0.00 N ATOM 772 CA PRO A 53 -12.506 2.097 9.478 1.00 0.00 C ATOM 773 C PRO A 53 -11.893 1.066 10.420 1.00 0.00 C ATOM 774 O PRO A 53 -12.522 0.647 11.391 1.00 0.00 O ATOM 775 CB PRO A 53 -12.874 3.370 10.245 1.00 0.00 C ATOM 776 CG PRO A 53 -14.314 3.200 10.591 1.00 0.00 C ATOM 777 CD PRO A 53 -14.923 2.422 9.457 1.00 0.00 C ATOM 0 HA PRO A 53 -11.758 2.253 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.262 3.484 11.140 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.715 4.260 9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.428 2.668 11.535 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.804 4.167 10.709 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.724 1.769 9.802 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.352 3.081 8.702 1.00 0.00 H new ATOM 785 N SER A 54 -10.661 0.662 10.127 1.00 0.00 N ATOM 786 CA SER A 54 -9.964 -0.322 10.946 1.00 0.00 C ATOM 787 C SER A 54 -8.459 -0.074 10.931 1.00 0.00 C ATOM 788 O SER A 54 -7.825 -0.097 9.876 1.00 0.00 O ATOM 789 CB SER A 54 -10.264 -1.737 10.446 1.00 0.00 C ATOM 790 OG SER A 54 -11.580 -2.132 10.792 1.00 0.00 O ATOM 0 H SER A 54 -10.125 1.001 9.328 1.00 0.00 H new ATOM 0 HA SER A 54 -10.321 -0.223 11.971 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.142 -1.777 9.364 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.546 -2.437 10.874 1.00 0.00 H new ATOM 0 HG SER A 54 -12.060 -1.369 11.176 1.00 0.00 H new ATOM 796 N SER A 55 -7.893 0.164 12.110 1.00 0.00 N ATOM 797 CA SER A 55 -6.463 0.421 12.234 1.00 0.00 C ATOM 798 C SER A 55 -5.667 -0.467 11.283 1.00 0.00 C ATOM 799 O SER A 55 -4.936 0.023 10.423 1.00 0.00 O ATOM 800 CB SER A 55 -6.004 0.186 13.674 1.00 0.00 C ATOM 801 OG SER A 55 -6.774 0.949 14.586 1.00 0.00 O ATOM 0 H SER A 55 -8.403 0.184 12.993 1.00 0.00 H new ATOM 0 HA SER A 55 -6.282 1.462 11.968 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.090 -0.873 13.918 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.951 0.451 13.771 1.00 0.00 H new ATOM 0 HG SER A 55 -6.462 0.780 15.499 1.00 0.00 H new ATOM 807 N GLY A 56 -5.815 -1.779 11.444 1.00 0.00 N ATOM 808 CA GLY A 56 -5.105 -2.716 10.593 1.00 0.00 C ATOM 809 C GLY A 56 -3.732 -2.211 10.194 1.00 0.00 C ATOM 810 O GLY A 56 -2.779 -2.412 10.945 1.00 0.00 O ATOM 0 H GLY A 56 -6.414 -2.209 12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.002 -3.668 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.694 -2.905 9.696 1.00 0.00 H new TER 814 GLY A 56 HETATM 815 ZN ZN A 201 8.094 -1.529 -0.943 1.00 0.00 ZN HETATM 816 ZN ZN A 401 -4.853 -3.454 -1.304 1.00 0.00 ZN