USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 499 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 36 HIS HE2 : A 36 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HE2 : A 40 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc=-0.00137 USER MOD Single : A 16 LYS NZ :NH3+ -143:sc=-0.00407 (180deg=-0.183) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.133) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 130:sc= 0.756 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc=-0.00928 (180deg=-0.206) USER MOD Single : A 32 ASN : amide:sc= -2.1! K(o=-2.1!,f=-0.8) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.0783 (180deg=-0.613) USER MOD Single : A 38 THR OG1 : rot -101:sc= 0.926 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.019) USER MOD Single : A 54 GLN : amide:sc= -0.826 K(o=-0.83,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0243 K(o=-0.024,f=-1.9!) USER MOD Single : A 60 ASN : amide:sc= -0.974 K(o=-0.97,f=-0.39) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 78:sc= 0.331 USER MOD Single : A 65 THR OG1 : rot -20:sc= 0.551 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 11 51.983 -17.123 17.560 1.00 1.00 N ATOM 2 CA MET A 11 52.993 -16.354 16.782 1.00 1.00 C ATOM 3 C MET A 11 52.302 -15.208 16.048 1.00 1.00 C ATOM 4 O MET A 11 52.944 -14.456 15.318 1.00 1.00 O ATOM 5 CB MET A 11 53.685 -17.285 15.780 1.00 1.00 C ATOM 6 CG MET A 11 52.631 -18.061 14.989 1.00 1.00 C ATOM 7 SD MET A 11 53.444 -19.045 13.707 1.00 1.00 S ATOM 8 CE MET A 11 51.942 -19.643 12.893 1.00 1.00 C ATOM 0 HA MET A 11 53.743 -15.942 17.457 1.00 1.00 H new ATOM 0 HB2 MET A 11 54.310 -16.705 15.101 1.00 1.00 H new ATOM 0 HB3 MET A 11 54.343 -17.977 16.306 1.00 1.00 H new ATOM 0 HG2 MET A 11 52.065 -18.710 15.657 1.00 1.00 H new ATOM 0 HG3 MET A 11 51.919 -17.371 14.536 1.00 1.00 H new ATOM 0 HE1 MET A 11 52.213 -20.284 12.054 1.00 1.00 H new ATOM 0 HE2 MET A 11 51.344 -20.212 13.605 1.00 1.00 H new ATOM 0 HE3 MET A 11 51.363 -18.794 12.529 1.00 1.00 H new ATOM 18 N THR A 12 50.994 -15.080 16.248 1.00 1.00 N ATOM 19 CA THR A 12 50.224 -14.024 15.604 1.00 1.00 C ATOM 20 C THR A 12 50.594 -12.669 16.198 1.00 1.00 C ATOM 21 O THR A 12 50.785 -12.537 17.407 1.00 1.00 O ATOM 22 CB THR A 12 48.728 -14.278 15.799 1.00 1.00 C ATOM 23 OG1 THR A 12 48.434 -14.297 17.189 1.00 1.00 O ATOM 24 CG2 THR A 12 48.345 -15.625 15.178 1.00 1.00 C ATOM 0 H THR A 12 50.446 -15.694 16.851 1.00 1.00 H new ATOM 0 HA THR A 12 50.454 -14.021 14.538 1.00 1.00 H new ATOM 0 HB THR A 12 48.160 -13.485 15.313 1.00 1.00 H new ATOM 0 HG1 THR A 12 47.476 -14.458 17.319 1.00 1.00 H new ATOM 0 HG21 THR A 12 47.279 -15.801 15.320 1.00 1.00 H new ATOM 0 HG22 THR A 12 48.572 -15.612 14.112 1.00 1.00 H new ATOM 0 HG23 THR A 12 48.911 -16.422 15.660 1.00 1.00 H new ATOM 32 N HIS A 13 50.698 -11.657 15.342 1.00 1.00 N ATOM 33 CA HIS A 13 51.054 -10.313 15.783 1.00 1.00 C ATOM 34 C HIS A 13 49.954 -9.717 16.664 1.00 1.00 C ATOM 35 O HIS A 13 50.224 -9.003 17.630 1.00 1.00 O ATOM 36 CB HIS A 13 51.302 -9.423 14.560 1.00 1.00 C ATOM 37 CG HIS A 13 52.498 -9.946 13.805 1.00 1.00 C ATOM 38 ND1 HIS A 13 53.796 -9.734 14.243 1.00 1.00 N ATOM 39 CD2 HIS A 13 52.609 -10.688 12.653 1.00 1.00 C ATOM 40 CE1 HIS A 13 54.624 -10.339 13.370 1.00 1.00 C ATOM 41 NE2 HIS A 13 53.951 -10.935 12.382 1.00 1.00 N ATOM 0 H HIS A 13 50.541 -11.743 14.338 1.00 1.00 H new ATOM 0 HA HIS A 13 51.965 -10.368 16.379 1.00 1.00 H new ATOM 0 HB2 HIS A 13 50.423 -9.417 13.915 1.00 1.00 H new ATOM 0 HB3 HIS A 13 51.475 -8.393 14.873 1.00 1.00 H new ATOM 0 HD2 HIS A 13 51.780 -11.028 12.050 1.00 1.00 H new ATOM 0 HE1 HIS A 13 55.700 -10.342 13.458 1.00 1.00 H new ATOM 0 HE2 HIS A 13 54.338 -11.459 11.597 1.00 1.00 H new ATOM 50 N SER A 14 48.700 -10.012 16.335 1.00 1.00 N ATOM 51 CA SER A 14 47.552 -9.503 17.103 1.00 1.00 C ATOM 52 C SER A 14 46.438 -10.542 17.172 1.00 1.00 C ATOM 53 O SER A 14 46.276 -11.371 16.277 1.00 1.00 O ATOM 54 CB SER A 14 47.023 -8.220 16.459 1.00 1.00 C ATOM 55 OG SER A 14 45.875 -7.779 17.171 1.00 1.00 O ATOM 0 H SER A 14 48.445 -10.601 15.542 1.00 1.00 H new ATOM 0 HA SER A 14 47.887 -9.290 18.118 1.00 1.00 H new ATOM 0 HB2 SER A 14 47.793 -7.448 16.472 1.00 1.00 H new ATOM 0 HB3 SER A 14 46.771 -8.401 15.414 1.00 1.00 H new ATOM 0 HG SER A 14 45.533 -6.956 16.763 1.00 1.00 H new ATOM 61 N ASP A 15 45.657 -10.508 18.247 1.00 1.00 N ATOM 62 CA ASP A 15 44.567 -11.458 18.424 1.00 1.00 C ATOM 63 C ASP A 15 43.549 -11.338 17.298 1.00 1.00 C ATOM 64 O ASP A 15 42.646 -12.167 17.182 1.00 1.00 O ATOM 65 CB ASP A 15 43.884 -11.234 19.780 1.00 1.00 C ATOM 66 CG ASP A 15 42.922 -12.384 20.093 1.00 1.00 C ATOM 67 OD1 ASP A 15 42.841 -13.303 19.296 1.00 1.00 O ATOM 68 OD2 ASP A 15 42.285 -12.330 21.132 1.00 1.00 O ATOM 0 H ASP A 15 45.759 -9.834 19.006 1.00 1.00 H new ATOM 0 HA ASP A 15 44.986 -12.464 18.398 1.00 1.00 H new ATOM 0 HB2 ASP A 15 44.637 -11.158 20.565 1.00 1.00 H new ATOM 0 HB3 ASP A 15 43.340 -10.290 19.768 1.00 1.00 H new ATOM 73 N LYS A 16 43.687 -10.318 16.457 1.00 1.00 N ATOM 74 CA LYS A 16 42.786 -10.088 15.314 1.00 1.00 C ATOM 75 C LYS A 16 43.560 -10.277 14.000 1.00 1.00 C ATOM 76 O LYS A 16 43.990 -9.300 13.386 1.00 1.00 O ATOM 77 CB LYS A 16 42.192 -8.652 15.372 1.00 1.00 C ATOM 78 CG LYS A 16 40.956 -8.600 16.304 1.00 1.00 C ATOM 79 CD LYS A 16 41.378 -8.687 17.782 1.00 1.00 C ATOM 80 CE LYS A 16 40.207 -8.278 18.687 1.00 1.00 C ATOM 81 NZ LYS A 16 40.067 -6.799 18.654 1.00 1.00 N ATOM 0 H LYS A 16 44.427 -9.621 16.542 1.00 1.00 H new ATOM 0 HA LYS A 16 41.968 -10.807 15.361 1.00 1.00 H new ATOM 0 HB2 LYS A 16 42.950 -7.955 15.729 1.00 1.00 H new ATOM 0 HB3 LYS A 16 41.910 -8.331 14.369 1.00 1.00 H new ATOM 0 HG2 LYS A 16 40.405 -7.675 16.133 1.00 1.00 H new ATOM 0 HG3 LYS A 16 40.281 -9.422 16.065 1.00 1.00 H new ATOM 0 HD2 LYS A 16 41.694 -9.703 18.019 1.00 1.00 H new ATOM 0 HD3 LYS A 16 42.233 -8.036 17.964 1.00 1.00 H new ATOM 0 HE2 LYS A 16 39.286 -8.752 18.348 1.00 1.00 H new ATOM 0 HE3 LYS A 16 40.383 -8.617 19.708 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 39.798 -6.455 19.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 40.972 -6.371 18.374 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 39.332 -6.535 17.967 1.00 1.00 H new ATOM 95 N PRO A 17 43.738 -11.489 13.548 1.00 1.00 N ATOM 96 CA PRO A 17 44.471 -11.754 12.277 1.00 1.00 C ATOM 97 C PRO A 17 43.625 -11.409 11.045 1.00 1.00 C ATOM 98 O PRO A 17 44.140 -11.325 9.930 1.00 1.00 O ATOM 99 CB PRO A 17 44.807 -13.259 12.358 1.00 1.00 C ATOM 100 CG PRO A 17 43.722 -13.852 13.214 1.00 1.00 C ATOM 101 CD PRO A 17 43.273 -12.746 14.182 1.00 1.00 C ATOM 0 HA PRO A 17 45.362 -11.136 12.167 1.00 1.00 H new ATOM 0 HB2 PRO A 17 44.822 -13.714 11.368 1.00 1.00 H new ATOM 0 HB3 PRO A 17 45.791 -13.421 12.798 1.00 1.00 H new ATOM 0 HG2 PRO A 17 42.888 -14.193 12.601 1.00 1.00 H new ATOM 0 HG3 PRO A 17 44.091 -14.720 13.761 1.00 1.00 H new ATOM 0 HD2 PRO A 17 42.191 -12.748 14.313 1.00 1.00 H new ATOM 0 HD3 PRO A 17 43.714 -12.879 15.170 1.00 1.00 H new ATOM 109 N TYR A 18 42.324 -11.220 11.249 1.00 1.00 N ATOM 110 CA TYR A 18 41.408 -10.897 10.137 1.00 1.00 C ATOM 111 C TYR A 18 40.836 -9.496 10.284 1.00 1.00 C ATOM 112 O TYR A 18 39.936 -9.248 11.087 1.00 1.00 O ATOM 113 CB TYR A 18 40.266 -11.918 10.113 1.00 1.00 C ATOM 114 CG TYR A 18 40.830 -13.317 9.918 1.00 1.00 C ATOM 115 CD1 TYR A 18 41.322 -13.707 8.664 1.00 1.00 C ATOM 116 CD2 TYR A 18 40.860 -14.223 10.988 1.00 1.00 C ATOM 117 CE1 TYR A 18 41.839 -14.999 8.483 1.00 1.00 C ATOM 118 CE2 TYR A 18 41.378 -15.511 10.806 1.00 1.00 C ATOM 119 CZ TYR A 18 41.869 -15.899 9.556 1.00 1.00 C ATOM 120 OH TYR A 18 42.375 -17.172 9.378 1.00 1.00 O ATOM 0 H TYR A 18 41.874 -11.282 12.162 1.00 1.00 H new ATOM 0 HA TYR A 18 41.969 -10.938 9.203 1.00 1.00 H new ATOM 0 HB2 TYR A 18 39.703 -11.870 11.045 1.00 1.00 H new ATOM 0 HB3 TYR A 18 39.571 -11.681 9.308 1.00 1.00 H new ATOM 0 HD1 TYR A 18 41.303 -13.013 7.837 1.00 1.00 H new ATOM 0 HD2 TYR A 18 40.482 -13.926 11.955 1.00 1.00 H new ATOM 0 HE1 TYR A 18 42.214 -15.300 7.516 1.00 1.00 H new ATOM 0 HE2 TYR A 18 41.398 -16.206 11.633 1.00 1.00 H new ATOM 0 HH TYR A 18 42.323 -17.666 10.223 1.00 1.00 H new ATOM 130 N LYS A 19 41.365 -8.564 9.499 1.00 1.00 N ATOM 131 CA LYS A 19 40.908 -7.177 9.539 1.00 1.00 C ATOM 132 C LYS A 19 40.868 -6.606 8.131 1.00 1.00 C ATOM 133 O LYS A 19 41.612 -7.026 7.245 1.00 1.00 O ATOM 134 CB LYS A 19 41.847 -6.355 10.435 1.00 1.00 C ATOM 135 CG LYS A 19 43.298 -6.533 9.985 1.00 1.00 C ATOM 136 CD LYS A 19 44.244 -5.870 11.001 1.00 1.00 C ATOM 137 CE LYS A 19 45.686 -6.274 10.690 1.00 1.00 C ATOM 138 NZ LYS A 19 46.099 -5.675 9.391 1.00 1.00 N ATOM 0 H LYS A 19 42.111 -8.742 8.827 1.00 1.00 H new ATOM 0 HA LYS A 19 39.901 -7.134 9.955 1.00 1.00 H new ATOM 0 HB2 LYS A 19 41.572 -5.301 10.392 1.00 1.00 H new ATOM 0 HB3 LYS A 19 41.739 -6.670 11.473 1.00 1.00 H new ATOM 0 HG2 LYS A 19 43.533 -7.594 9.894 1.00 1.00 H new ATOM 0 HG3 LYS A 19 43.440 -6.090 8.999 1.00 1.00 H new ATOM 0 HD2 LYS A 19 44.141 -4.786 10.957 1.00 1.00 H new ATOM 0 HD3 LYS A 19 43.980 -6.175 12.014 1.00 1.00 H new ATOM 0 HE2 LYS A 19 46.350 -5.936 11.486 1.00 1.00 H new ATOM 0 HE3 LYS A 19 45.769 -7.360 10.645 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 47.119 -5.819 9.251 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 45.575 -6.131 8.617 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 45.891 -4.656 9.397 1.00 1.00 H new ATOM 152 N CYS A 20 39.986 -5.637 7.909 1.00 1.00 N ATOM 153 CA CYS A 20 39.850 -5.031 6.589 1.00 1.00 C ATOM 154 C CYS A 20 40.926 -3.981 6.349 1.00 1.00 C ATOM 155 O CYS A 20 40.874 -2.885 6.906 1.00 1.00 O ATOM 156 CB CYS A 20 38.472 -4.387 6.468 1.00 1.00 C ATOM 157 SG CYS A 20 38.210 -3.845 4.764 1.00 1.00 S ATOM 0 H CYS A 20 39.360 -5.257 8.619 1.00 1.00 H new ATOM 0 HA CYS A 20 39.966 -5.813 5.839 1.00 1.00 H new ATOM 0 HB2 CYS A 20 37.699 -5.099 6.758 1.00 1.00 H new ATOM 0 HB3 CYS A 20 38.394 -3.538 7.147 1.00 1.00 H new ATOM 162 N ASP A 21 41.902 -4.313 5.508 1.00 1.00 N ATOM 163 CA ASP A 21 42.981 -3.382 5.197 1.00 1.00 C ATOM 164 C ASP A 21 42.417 -2.143 4.499 1.00 1.00 C ATOM 165 O ASP A 21 42.971 -1.048 4.585 1.00 1.00 O ATOM 166 CB ASP A 21 44.041 -4.051 4.305 1.00 1.00 C ATOM 167 CG ASP A 21 43.408 -4.604 3.030 1.00 1.00 C ATOM 168 OD1 ASP A 21 42.217 -4.861 3.043 1.00 1.00 O ATOM 169 OD2 ASP A 21 44.129 -4.762 2.056 1.00 1.00 O ATOM 0 H ASP A 21 41.967 -5.213 5.033 1.00 1.00 H new ATOM 0 HA ASP A 21 43.457 -3.083 6.131 1.00 1.00 H new ATOM 0 HB2 ASP A 21 44.815 -3.328 4.048 1.00 1.00 H new ATOM 0 HB3 ASP A 21 44.528 -4.857 4.854 1.00 1.00 H new ATOM 174 N ARG A 22 41.297 -2.307 3.803 1.00 1.00 N ATOM 175 CA ARG A 22 40.656 -1.200 3.094 1.00 1.00 C ATOM 176 C ARG A 22 40.068 -0.193 4.087 1.00 1.00 C ATOM 177 O ARG A 22 39.777 0.951 3.738 1.00 1.00 O ATOM 178 CB ARG A 22 39.542 -1.741 2.181 1.00 1.00 C ATOM 179 CG ARG A 22 40.045 -2.959 1.387 1.00 1.00 C ATOM 180 CD ARG A 22 41.264 -2.582 0.533 1.00 1.00 C ATOM 181 NE ARG A 22 41.011 -1.334 -0.179 1.00 1.00 N ATOM 182 CZ ARG A 22 41.930 -0.787 -0.971 1.00 1.00 C ATOM 183 NH1 ARG A 22 43.089 -1.371 -1.131 1.00 1.00 N ATOM 184 NH2 ARG A 22 41.667 0.334 -1.591 1.00 1.00 N ATOM 0 H ARG A 22 40.811 -3.199 3.713 1.00 1.00 H new ATOM 0 HA ARG A 22 41.408 -0.694 2.488 1.00 1.00 H new ATOM 0 HB2 ARG A 22 38.676 -2.022 2.780 1.00 1.00 H new ATOM 0 HB3 ARG A 22 39.215 -0.961 1.494 1.00 1.00 H new ATOM 0 HG2 ARG A 22 40.310 -3.763 2.073 1.00 1.00 H new ATOM 0 HG3 ARG A 22 39.248 -3.336 0.746 1.00 1.00 H new ATOM 0 HD2 ARG A 22 42.144 -2.476 1.168 1.00 1.00 H new ATOM 0 HD3 ARG A 22 41.479 -3.379 -0.179 1.00 1.00 H new ATOM 0 HE ARG A 22 40.109 -0.870 -0.067 1.00 1.00 H new ATOM 0 HH11 ARG A 22 43.290 -2.247 -0.648 1.00 1.00 H new ATOM 0 HH12 ARG A 22 43.792 -0.951 -1.738 1.00 1.00 H new ATOM 0 HH21 ARG A 22 40.761 0.785 -1.466 1.00 1.00 H new ATOM 0 HH22 ARG A 22 42.368 0.757 -2.199 1.00 1.00 H new ATOM 198 N CYS A 23 39.892 -0.629 5.331 1.00 1.00 N ATOM 199 CA CYS A 23 39.334 0.224 6.385 1.00 1.00 C ATOM 200 C CYS A 23 40.121 0.044 7.673 1.00 1.00 C ATOM 201 O CYS A 23 41.155 -0.621 7.703 1.00 1.00 O ATOM 202 CB CYS A 23 37.867 -0.140 6.616 1.00 1.00 C ATOM 203 SG CYS A 23 36.998 -0.148 5.030 1.00 1.00 S ATOM 0 H CYS A 23 40.128 -1.572 5.639 1.00 1.00 H new ATOM 0 HA CYS A 23 39.402 1.267 6.074 1.00 1.00 H new ATOM 0 HB2 CYS A 23 37.793 -1.119 7.089 1.00 1.00 H new ATOM 0 HB3 CYS A 23 37.404 0.577 7.294 1.00 1.00 H new ATOM 208 N GLN A 24 39.643 0.646 8.758 1.00 1.00 N ATOM 209 CA GLN A 24 40.317 0.554 10.060 1.00 1.00 C ATOM 210 C GLN A 24 39.707 -0.539 10.938 1.00 1.00 C ATOM 211 O GLN A 24 40.323 -0.954 11.920 1.00 1.00 O ATOM 212 CB GLN A 24 40.232 1.904 10.782 1.00 1.00 C ATOM 213 CG GLN A 24 38.768 2.326 10.949 1.00 1.00 C ATOM 214 CD GLN A 24 38.694 3.684 11.644 1.00 1.00 C ATOM 215 OE1 GLN A 24 39.556 4.010 12.460 1.00 1.00 O ATOM 216 NE2 GLN A 24 37.711 4.497 11.367 1.00 1.00 N ATOM 0 H GLN A 24 38.790 1.205 8.767 1.00 1.00 H new ATOM 0 HA GLN A 24 41.360 0.293 9.879 1.00 1.00 H new ATOM 0 HB2 GLN A 24 40.711 1.833 11.759 1.00 1.00 H new ATOM 0 HB3 GLN A 24 40.774 2.662 10.216 1.00 1.00 H new ATOM 0 HG2 GLN A 24 38.283 2.380 9.975 1.00 1.00 H new ATOM 0 HG3 GLN A 24 38.230 1.579 11.533 1.00 1.00 H new ATOM 0 HE21 GLN A 24 36.998 4.224 10.690 1.00 1.00 H new ATOM 0 HE22 GLN A 24 37.656 5.406 11.827 1.00 1.00 H new ATOM 225 N ALA A 25 38.514 -1.008 10.592 1.00 1.00 N ATOM 226 CA ALA A 25 37.829 -2.046 11.356 1.00 1.00 C ATOM 227 C ALA A 25 38.668 -3.314 11.454 1.00 1.00 C ATOM 228 O ALA A 25 39.473 -3.627 10.576 1.00 1.00 O ATOM 229 CB ALA A 25 36.489 -2.381 10.695 1.00 1.00 C ATOM 0 H ALA A 25 37.995 -0.681 9.777 1.00 1.00 H new ATOM 0 HA ALA A 25 37.665 -1.662 12.363 1.00 1.00 H new ATOM 0 HB1 ALA A 25 35.983 -3.156 11.270 1.00 1.00 H new ATOM 0 HB2 ALA A 25 35.865 -1.488 10.663 1.00 1.00 H new ATOM 0 HB3 ALA A 25 36.663 -2.738 9.680 1.00 1.00 H new ATOM 235 N SER A 26 38.490 -4.059 12.539 1.00 1.00 N ATOM 236 CA SER A 26 39.230 -5.311 12.767 1.00 1.00 C ATOM 237 C SER A 26 38.284 -6.434 13.183 1.00 1.00 C ATOM 238 O SER A 26 37.229 -6.185 13.767 1.00 1.00 O ATOM 239 CB SER A 26 40.288 -5.097 13.849 1.00 1.00 C ATOM 240 OG SER A 26 41.240 -4.144 13.392 1.00 1.00 O ATOM 0 H SER A 26 37.836 -3.821 13.285 1.00 1.00 H new ATOM 0 HA SER A 26 39.716 -5.599 11.835 1.00 1.00 H new ATOM 0 HB2 SER A 26 39.819 -4.748 14.769 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.783 -6.040 14.082 1.00 1.00 H new ATOM 0 HG SER A 26 41.919 -4.003 14.084 1.00 1.00 H new ATOM 246 N PHE A 27 38.656 -7.675 12.883 1.00 1.00 N ATOM 247 CA PHE A 27 37.828 -8.841 13.228 1.00 1.00 C ATOM 248 C PHE A 27 38.683 -10.044 13.626 1.00 1.00 C ATOM 249 O PHE A 27 39.809 -10.212 13.159 1.00 1.00 O ATOM 250 CB PHE A 27 36.947 -9.208 12.030 1.00 1.00 C ATOM 251 CG PHE A 27 35.950 -8.094 11.763 1.00 1.00 C ATOM 252 CD1 PHE A 27 34.722 -8.073 12.438 1.00 1.00 C ATOM 253 CD2 PHE A 27 36.255 -7.087 10.834 1.00 1.00 C ATOM 254 CE1 PHE A 27 33.801 -7.049 12.187 1.00 1.00 C ATOM 255 CE2 PHE A 27 35.333 -6.065 10.585 1.00 1.00 C ATOM 256 CZ PHE A 27 34.107 -6.045 11.259 1.00 1.00 C ATOM 0 H PHE A 27 39.525 -7.906 12.401 1.00 1.00 H new ATOM 0 HA PHE A 27 37.208 -8.576 14.085 1.00 1.00 H new ATOM 0 HB2 PHE A 27 37.567 -9.373 11.148 1.00 1.00 H new ATOM 0 HB3 PHE A 27 36.419 -10.141 12.228 1.00 1.00 H new ATOM 0 HD1 PHE A 27 34.486 -8.848 13.153 1.00 1.00 H new ATOM 0 HD2 PHE A 27 37.200 -7.101 10.312 1.00 1.00 H new ATOM 0 HE1 PHE A 27 32.855 -7.033 12.708 1.00 1.00 H new ATOM 0 HE2 PHE A 27 35.568 -5.290 9.871 1.00 1.00 H new ATOM 0 HZ PHE A 27 33.396 -5.255 11.064 1.00 1.00 H new ATOM 266 N ARG A 28 38.130 -10.890 14.491 1.00 1.00 N ATOM 267 CA ARG A 28 38.838 -12.086 14.958 1.00 1.00 C ATOM 268 C ARG A 28 38.529 -13.293 14.064 1.00 1.00 C ATOM 269 O ARG A 28 39.244 -14.295 14.086 1.00 1.00 O ATOM 270 CB ARG A 28 38.414 -12.391 16.404 1.00 1.00 C ATOM 271 CG ARG A 28 39.400 -13.382 17.039 1.00 1.00 C ATOM 272 CD ARG A 28 38.997 -13.677 18.485 1.00 1.00 C ATOM 273 NE ARG A 28 37.817 -14.541 18.502 1.00 1.00 N ATOM 274 CZ ARG A 28 37.931 -15.868 18.385 1.00 1.00 C ATOM 275 NH1 ARG A 28 39.112 -16.411 18.249 1.00 1.00 N ATOM 276 NH2 ARG A 28 36.865 -16.620 18.405 1.00 1.00 N ATOM 0 H ARG A 28 37.196 -10.773 14.884 1.00 1.00 H new ATOM 0 HA ARG A 28 39.910 -11.896 14.914 1.00 1.00 H new ATOM 0 HB2 ARG A 28 38.385 -11.470 16.986 1.00 1.00 H new ATOM 0 HB3 ARG A 28 37.407 -12.808 16.417 1.00 1.00 H new ATOM 0 HG2 ARG A 28 39.418 -14.307 16.463 1.00 1.00 H new ATOM 0 HG3 ARG A 28 40.409 -12.970 17.012 1.00 1.00 H new ATOM 0 HD2 ARG A 28 39.821 -14.160 19.011 1.00 1.00 H new ATOM 0 HD3 ARG A 28 38.785 -12.746 19.011 1.00 1.00 H new ATOM 0 HE ARG A 28 36.892 -14.124 18.605 1.00 1.00 H new ATOM 0 HH11 ARG A 28 39.945 -15.823 18.232 1.00 1.00 H new ATOM 0 HH12 ARG A 28 39.201 -17.423 18.160 1.00 1.00 H new ATOM 0 HH21 ARG A 28 35.943 -16.196 18.510 1.00 1.00 H new ATOM 0 HH22 ARG A 28 36.953 -17.632 18.316 1.00 1.00 H new ATOM 290 N TYR A 29 37.458 -13.197 13.284 1.00 1.00 N ATOM 291 CA TYR A 29 37.034 -14.294 12.388 1.00 1.00 C ATOM 292 C TYR A 29 37.193 -13.903 10.922 1.00 1.00 C ATOM 293 O TYR A 29 37.032 -12.741 10.547 1.00 1.00 O ATOM 294 CB TYR A 29 35.563 -14.633 12.667 1.00 1.00 C ATOM 295 CG TYR A 29 35.345 -14.765 14.163 1.00 1.00 C ATOM 296 CD1 TYR A 29 35.096 -13.620 14.932 1.00 1.00 C ATOM 297 CD2 TYR A 29 35.389 -16.025 14.783 1.00 1.00 C ATOM 298 CE1 TYR A 29 34.891 -13.729 16.314 1.00 1.00 C ATOM 299 CE2 TYR A 29 35.183 -16.133 16.164 1.00 1.00 C ATOM 300 CZ TYR A 29 34.934 -14.984 16.930 1.00 1.00 C ATOM 301 OH TYR A 29 34.726 -15.089 18.290 1.00 1.00 O ATOM 0 H TYR A 29 36.859 -12.373 13.246 1.00 1.00 H new ATOM 0 HA TYR A 29 37.666 -15.161 12.581 1.00 1.00 H new ATOM 0 HB2 TYR A 29 34.917 -13.854 12.263 1.00 1.00 H new ATOM 0 HB3 TYR A 29 35.293 -15.563 12.167 1.00 1.00 H new ATOM 0 HD1 TYR A 29 35.062 -12.650 14.458 1.00 1.00 H new ATOM 0 HD2 TYR A 29 35.582 -16.910 14.195 1.00 1.00 H new ATOM 0 HE1 TYR A 29 34.700 -12.844 16.903 1.00 1.00 H new ATOM 0 HE2 TYR A 29 35.216 -17.102 16.640 1.00 1.00 H new ATOM 0 HH TYR A 29 34.054 -15.780 18.466 1.00 1.00 H new ATOM 311 N LYS A 30 37.514 -14.884 10.085 1.00 1.00 N ATOM 312 CA LYS A 30 37.695 -14.647 8.657 1.00 1.00 C ATOM 313 C LYS A 30 36.362 -14.386 7.966 1.00 1.00 C ATOM 314 O LYS A 30 36.288 -13.588 7.031 1.00 1.00 O ATOM 315 CB LYS A 30 38.396 -15.850 8.014 1.00 1.00 C ATOM 316 CG LYS A 30 37.558 -17.120 8.203 1.00 1.00 C ATOM 317 CD LYS A 30 38.317 -18.318 7.626 1.00 1.00 C ATOM 318 CE LYS A 30 37.444 -19.573 7.709 1.00 1.00 C ATOM 319 NZ LYS A 30 37.252 -19.954 9.137 1.00 1.00 N ATOM 0 H LYS A 30 37.654 -15.853 10.372 1.00 1.00 H new ATOM 0 HA LYS A 30 38.315 -13.759 8.535 1.00 1.00 H new ATOM 0 HB2 LYS A 30 38.551 -15.664 6.951 1.00 1.00 H new ATOM 0 HB3 LYS A 30 39.381 -15.987 8.461 1.00 1.00 H new ATOM 0 HG2 LYS A 30 37.353 -17.280 9.262 1.00 1.00 H new ATOM 0 HG3 LYS A 30 36.595 -17.011 7.705 1.00 1.00 H new ATOM 0 HD2 LYS A 30 38.591 -18.122 6.589 1.00 1.00 H new ATOM 0 HD3 LYS A 30 39.245 -18.472 8.177 1.00 1.00 H new ATOM 0 HE2 LYS A 30 36.478 -19.388 7.238 1.00 1.00 H new ATOM 0 HE3 LYS A 30 37.913 -20.392 7.163 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 36.854 -20.913 9.190 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 38.168 -19.932 9.628 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 36.600 -19.283 9.591 1.00 1.00 H new ATOM 333 N GLY A 31 35.303 -15.052 8.416 1.00 1.00 N ATOM 334 CA GLY A 31 33.977 -14.879 7.835 1.00 1.00 C ATOM 335 C GLY A 31 33.449 -13.486 8.129 1.00 1.00 C ATOM 336 O GLY A 31 32.766 -12.874 7.308 1.00 1.00 O ATOM 0 H GLY A 31 35.339 -15.720 9.186 1.00 1.00 H new ATOM 0 HA2 GLY A 31 34.021 -15.038 6.758 1.00 1.00 H new ATOM 0 HA3 GLY A 31 33.295 -15.627 8.240 1.00 1.00 H new ATOM 340 N ASN A 32 33.772 -12.982 9.315 1.00 1.00 N ATOM 341 CA ASN A 32 33.335 -11.660 9.721 1.00 1.00 C ATOM 342 C ASN A 32 33.937 -10.625 8.783 1.00 1.00 C ATOM 343 O ASN A 32 33.283 -9.651 8.413 1.00 1.00 O ATOM 344 CB ASN A 32 33.771 -11.377 11.170 1.00 1.00 C ATOM 345 CG ASN A 32 32.896 -12.161 12.148 1.00 1.00 C ATOM 346 OD1 ASN A 32 32.947 -11.929 13.357 1.00 1.00 O ATOM 347 ND2 ASN A 32 32.098 -13.090 11.692 1.00 1.00 N ATOM 0 H ASN A 32 34.335 -13.473 10.009 1.00 1.00 H new ATOM 0 HA ASN A 32 32.247 -11.608 9.671 1.00 1.00 H new ATOM 0 HB2 ASN A 32 34.817 -11.654 11.303 1.00 1.00 H new ATOM 0 HB3 ASN A 32 33.695 -10.310 11.378 1.00 1.00 H new ATOM 0 HD21 ASN A 32 31.516 -13.624 12.337 1.00 1.00 H new ATOM 0 HD22 ASN A 32 32.057 -13.281 10.691 1.00 1.00 H new ATOM 354 N LEU A 33 35.191 -10.839 8.395 1.00 1.00 N ATOM 355 CA LEU A 33 35.878 -9.921 7.508 1.00 1.00 C ATOM 356 C LEU A 33 35.131 -9.841 6.180 1.00 1.00 C ATOM 357 O LEU A 33 34.918 -8.759 5.633 1.00 1.00 O ATOM 358 CB LEU A 33 37.329 -10.411 7.281 1.00 1.00 C ATOM 359 CG LEU A 33 38.284 -9.224 7.042 1.00 1.00 C ATOM 360 CD1 LEU A 33 39.685 -9.744 6.678 1.00 1.00 C ATOM 361 CD2 LEU A 33 37.755 -8.315 5.915 1.00 1.00 C ATOM 0 H LEU A 33 35.748 -11.643 8.684 1.00 1.00 H new ATOM 0 HA LEU A 33 35.907 -8.928 7.956 1.00 1.00 H new ATOM 0 HB2 LEU A 33 37.663 -10.982 8.147 1.00 1.00 H new ATOM 0 HB3 LEU A 33 37.359 -11.084 6.424 1.00 1.00 H new ATOM 0 HG LEU A 33 38.342 -8.639 7.960 1.00 1.00 H new ATOM 0 HD11 LEU A 33 40.354 -8.900 6.511 1.00 1.00 H new ATOM 0 HD12 LEU A 33 40.069 -10.356 7.494 1.00 1.00 H new ATOM 0 HD13 LEU A 33 39.626 -10.345 5.771 1.00 1.00 H new ATOM 0 HD21 LEU A 33 38.444 -7.484 5.764 1.00 1.00 H new ATOM 0 HD22 LEU A 33 37.672 -8.890 4.993 1.00 1.00 H new ATOM 0 HD23 LEU A 33 36.774 -7.927 6.191 1.00 1.00 H new ATOM 373 N ALA A 34 34.726 -10.996 5.661 1.00 1.00 N ATOM 374 CA ALA A 34 33.995 -11.053 4.406 1.00 1.00 C ATOM 375 C ALA A 34 32.620 -10.436 4.591 1.00 1.00 C ATOM 376 O ALA A 34 32.097 -9.761 3.704 1.00 1.00 O ATOM 377 CB ALA A 34 33.867 -12.505 3.937 1.00 1.00 C ATOM 0 H ALA A 34 34.893 -11.905 6.093 1.00 1.00 H new ATOM 0 HA ALA A 34 34.539 -10.491 3.647 1.00 1.00 H new ATOM 0 HB1 ALA A 34 33.318 -12.536 2.996 1.00 1.00 H new ATOM 0 HB2 ALA A 34 34.860 -12.929 3.792 1.00 1.00 H new ATOM 0 HB3 ALA A 34 33.332 -13.084 4.689 1.00 1.00 H new ATOM 383 N SER A 35 32.031 -10.666 5.760 1.00 1.00 N ATOM 384 CA SER A 35 30.719 -10.122 6.069 1.00 1.00 C ATOM 385 C SER A 35 30.776 -8.604 6.017 1.00 1.00 C ATOM 386 O SER A 35 29.867 -7.950 5.508 1.00 1.00 O ATOM 387 CB SER A 35 30.274 -10.574 7.460 1.00 1.00 C ATOM 388 OG SER A 35 28.964 -10.084 7.716 1.00 1.00 O ATOM 0 H SER A 35 32.443 -11.225 6.507 1.00 1.00 H new ATOM 0 HA SER A 35 30.000 -10.486 5.335 1.00 1.00 H new ATOM 0 HB2 SER A 35 30.287 -11.662 7.523 1.00 1.00 H new ATOM 0 HB3 SER A 35 30.967 -10.203 8.215 1.00 1.00 H new ATOM 0 HG SER A 35 28.675 -10.373 8.607 1.00 1.00 H new ATOM 394 N HIS A 36 31.857 -8.039 6.544 1.00 1.00 N ATOM 395 CA HIS A 36 32.047 -6.596 6.552 1.00 1.00 C ATOM 396 C HIS A 36 32.226 -6.071 5.131 1.00 1.00 C ATOM 397 O HIS A 36 31.688 -5.019 4.786 1.00 1.00 O ATOM 398 CB HIS A 36 33.278 -6.246 7.424 1.00 1.00 C ATOM 399 CG HIS A 36 33.799 -4.864 7.092 1.00 1.00 C ATOM 400 ND1 HIS A 36 33.217 -3.704 7.574 1.00 1.00 N ATOM 401 CD2 HIS A 36 34.840 -4.461 6.298 1.00 1.00 C ATOM 402 CE1 HIS A 36 33.908 -2.661 7.065 1.00 1.00 C ATOM 403 NE2 HIS A 36 34.912 -3.068 6.278 1.00 1.00 N ATOM 0 H HIS A 36 32.619 -8.564 6.974 1.00 1.00 H new ATOM 0 HA HIS A 36 31.163 -6.119 6.975 1.00 1.00 H new ATOM 0 HB2 HIS A 36 33.007 -6.293 8.479 1.00 1.00 H new ATOM 0 HB3 HIS A 36 34.064 -6.984 7.264 1.00 1.00 H new ATOM 0 HD1 HIS A 36 32.413 -3.647 8.199 1.00 1.00 H new ATOM 0 HD2 HIS A 36 35.506 -5.124 5.766 1.00 1.00 H new ATOM 0 HE1 HIS A 36 33.679 -1.625 7.268 1.00 1.00 H new ATOM 411 N LYS A 37 32.988 -6.787 4.310 1.00 1.00 N ATOM 412 CA LYS A 37 33.240 -6.356 2.939 1.00 1.00 C ATOM 413 C LYS A 37 31.933 -6.129 2.184 1.00 1.00 C ATOM 414 O LYS A 37 31.894 -5.414 1.183 1.00 1.00 O ATOM 415 CB LYS A 37 34.099 -7.396 2.209 1.00 1.00 C ATOM 416 CG LYS A 37 34.519 -6.857 0.836 1.00 1.00 C ATOM 417 CD LYS A 37 35.469 -7.852 0.164 1.00 1.00 C ATOM 418 CE LYS A 37 35.895 -7.311 -1.205 1.00 1.00 C ATOM 419 NZ LYS A 37 36.629 -6.026 -1.031 1.00 1.00 N ATOM 0 H LYS A 37 33.440 -7.664 4.568 1.00 1.00 H new ATOM 0 HA LYS A 37 33.778 -5.409 2.975 1.00 1.00 H new ATOM 0 HB2 LYS A 37 34.982 -7.632 2.802 1.00 1.00 H new ATOM 0 HB3 LYS A 37 33.539 -8.323 2.089 1.00 1.00 H new ATOM 0 HG2 LYS A 37 33.640 -6.699 0.211 1.00 1.00 H new ATOM 0 HG3 LYS A 37 35.009 -5.890 0.948 1.00 1.00 H new ATOM 0 HD2 LYS A 37 36.346 -8.014 0.791 1.00 1.00 H new ATOM 0 HD3 LYS A 37 34.978 -8.818 0.048 1.00 1.00 H new ATOM 0 HE2 LYS A 37 36.530 -8.038 -1.712 1.00 1.00 H new ATOM 0 HE3 LYS A 37 35.019 -7.158 -1.835 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 37.212 -5.842 -1.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 35.947 -5.251 -0.906 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 37.241 -6.087 -0.193 1.00 1.00 H new ATOM 433 N THR A 38 30.846 -6.737 2.648 1.00 1.00 N ATOM 434 CA THR A 38 29.552 -6.592 1.994 1.00 1.00 C ATOM 435 C THR A 38 29.150 -5.123 1.910 1.00 1.00 C ATOM 436 O THR A 38 28.485 -4.717 0.957 1.00 1.00 O ATOM 437 CB THR A 38 28.478 -7.354 2.780 1.00 1.00 C ATOM 438 OG1 THR A 38 28.344 -6.777 4.073 1.00 1.00 O ATOM 439 CG2 THR A 38 28.870 -8.830 2.919 1.00 1.00 C ATOM 0 H THR A 38 30.836 -7.335 3.474 1.00 1.00 H new ATOM 0 HA THR A 38 29.636 -7.000 0.987 1.00 1.00 H new ATOM 0 HB THR A 38 27.531 -7.288 2.244 1.00 1.00 H new ATOM 0 HG1 THR A 38 28.826 -7.325 4.727 1.00 1.00 H new ATOM 0 HG21 THR A 38 28.099 -9.360 3.479 1.00 1.00 H new ATOM 0 HG22 THR A 38 28.970 -9.275 1.929 1.00 1.00 H new ATOM 0 HG23 THR A 38 29.820 -8.906 3.448 1.00 1.00 H new ATOM 447 N VAL A 39 29.557 -4.342 2.904 1.00 1.00 N ATOM 448 CA VAL A 39 29.233 -2.920 2.979 1.00 1.00 C ATOM 449 C VAL A 39 29.777 -2.132 1.781 1.00 1.00 C ATOM 450 O VAL A 39 29.084 -1.291 1.207 1.00 1.00 O ATOM 451 CB VAL A 39 29.808 -2.341 4.294 1.00 1.00 C ATOM 452 CG1 VAL A 39 31.335 -2.111 4.177 1.00 1.00 C ATOM 453 CG2 VAL A 39 29.122 -1.008 4.625 1.00 1.00 C ATOM 0 H VAL A 39 30.123 -4.677 3.684 1.00 1.00 H new ATOM 0 HA VAL A 39 28.148 -2.822 2.959 1.00 1.00 H new ATOM 0 HB VAL A 39 29.620 -3.062 5.090 1.00 1.00 H new ATOM 0 HG11 VAL A 39 31.714 -1.704 5.114 1.00 1.00 H new ATOM 0 HG12 VAL A 39 31.831 -3.059 3.966 1.00 1.00 H new ATOM 0 HG13 VAL A 39 31.536 -1.408 3.368 1.00 1.00 H new ATOM 0 HG21 VAL A 39 29.533 -0.608 5.552 1.00 1.00 H new ATOM 0 HG22 VAL A 39 29.295 -0.299 3.815 1.00 1.00 H new ATOM 0 HG23 VAL A 39 28.051 -1.170 4.743 1.00 1.00 H new ATOM 463 N HIS A 40 31.026 -2.387 1.406 1.00 1.00 N ATOM 464 CA HIS A 40 31.678 -1.679 0.284 1.00 1.00 C ATOM 465 C HIS A 40 32.279 -2.646 -0.732 1.00 1.00 C ATOM 466 O HIS A 40 33.287 -2.340 -1.368 1.00 1.00 O ATOM 467 CB HIS A 40 32.772 -0.757 0.838 1.00 1.00 C ATOM 468 CG HIS A 40 33.852 -1.573 1.503 1.00 1.00 C ATOM 469 ND1 HIS A 40 34.647 -2.461 0.799 1.00 1.00 N ATOM 470 CD2 HIS A 40 34.285 -1.634 2.804 1.00 1.00 C ATOM 471 CE1 HIS A 40 35.510 -3.015 1.672 1.00 1.00 C ATOM 472 NE2 HIS A 40 35.332 -2.544 2.910 1.00 1.00 N ATOM 0 H HIS A 40 31.619 -3.082 1.859 1.00 1.00 H new ATOM 0 HA HIS A 40 30.918 -1.095 -0.235 1.00 1.00 H new ATOM 0 HB2 HIS A 40 33.200 -0.162 0.031 1.00 1.00 H new ATOM 0 HB3 HIS A 40 32.341 -0.058 1.555 1.00 1.00 H new ATOM 0 HD1 HIS A 40 34.590 -2.660 -0.200 1.00 1.00 H new ATOM 0 HD2 HIS A 40 33.875 -1.061 3.623 1.00 1.00 H new ATOM 0 HE1 HIS A 40 36.255 -3.750 1.404 1.00 1.00 H new ATOM 480 N THR A 41 31.672 -3.815 -0.905 1.00 1.00 N ATOM 481 CA THR A 41 32.173 -4.806 -1.847 1.00 1.00 C ATOM 482 C THR A 41 32.214 -4.249 -3.268 1.00 1.00 C ATOM 483 O THR A 41 33.182 -4.457 -3.999 1.00 1.00 O ATOM 484 CB THR A 41 31.297 -6.070 -1.812 1.00 1.00 C ATOM 485 OG1 THR A 41 31.718 -6.952 -2.843 1.00 1.00 O ATOM 486 CG2 THR A 41 29.822 -5.705 -2.024 1.00 1.00 C ATOM 0 H THR A 41 30.830 -4.099 -0.403 1.00 1.00 H new ATOM 0 HA THR A 41 33.189 -5.062 -1.548 1.00 1.00 H new ATOM 0 HB THR A 41 31.402 -6.551 -0.840 1.00 1.00 H new ATOM 0 HG1 THR A 41 31.166 -7.761 -2.827 1.00 1.00 H new ATOM 0 HG21 THR A 41 29.216 -6.610 -1.997 1.00 1.00 H new ATOM 0 HG22 THR A 41 29.498 -5.027 -1.234 1.00 1.00 H new ATOM 0 HG23 THR A 41 29.703 -5.218 -2.992 1.00 1.00 H new ATOM 494 N GLY A 42 31.157 -3.544 -3.661 1.00 1.00 N ATOM 495 CA GLY A 42 31.076 -2.961 -5.003 1.00 1.00 C ATOM 496 C GLY A 42 29.622 -2.711 -5.392 1.00 1.00 C ATOM 497 O GLY A 42 29.092 -3.352 -6.298 1.00 1.00 O ATOM 0 H GLY A 42 30.344 -3.361 -3.073 1.00 1.00 H new ATOM 0 HA2 GLY A 42 31.632 -2.024 -5.033 1.00 1.00 H new ATOM 0 HA3 GLY A 42 31.541 -3.631 -5.726 1.00 1.00 H new ATOM 501 N GLU A 43 28.982 -1.771 -4.702 1.00 1.00 N ATOM 502 CA GLU A 43 27.579 -1.434 -4.966 1.00 1.00 C ATOM 503 C GLU A 43 27.446 -0.530 -6.183 1.00 1.00 C ATOM 504 O GLU A 43 26.353 -0.330 -6.711 1.00 1.00 O ATOM 505 CB GLU A 43 26.974 -0.742 -3.742 1.00 1.00 C ATOM 506 CG GLU A 43 26.946 -1.708 -2.528 1.00 1.00 C ATOM 507 CD GLU A 43 28.311 -1.770 -1.838 1.00 1.00 C ATOM 508 OE1 GLU A 43 29.234 -1.142 -2.325 1.00 1.00 O ATOM 509 OE2 GLU A 43 28.401 -2.426 -0.811 1.00 1.00 O ATOM 0 H GLU A 43 29.410 -1.226 -3.954 1.00 1.00 H new ATOM 0 HA GLU A 43 27.042 -2.360 -5.170 1.00 1.00 H new ATOM 0 HB2 GLU A 43 27.556 0.146 -3.494 1.00 1.00 H new ATOM 0 HB3 GLU A 43 25.962 -0.406 -3.970 1.00 1.00 H new ATOM 0 HG2 GLU A 43 26.190 -1.379 -1.815 1.00 1.00 H new ATOM 0 HG3 GLU A 43 26.658 -2.705 -2.860 1.00 1.00 H new ATOM 516 N LYS A 44 28.563 0.023 -6.645 1.00 1.00 N ATOM 517 CA LYS A 44 28.527 0.893 -7.817 1.00 1.00 C ATOM 518 C LYS A 44 29.955 1.146 -8.357 1.00 1.00 C ATOM 519 O LYS A 44 30.849 1.487 -7.583 1.00 1.00 O ATOM 520 CB LYS A 44 27.843 2.227 -7.446 1.00 1.00 C ATOM 521 CG LYS A 44 27.462 3.000 -8.720 1.00 1.00 C ATOM 522 CD LYS A 44 26.772 4.307 -8.319 1.00 1.00 C ATOM 523 CE LYS A 44 26.394 5.120 -9.565 1.00 1.00 C ATOM 524 NZ LYS A 44 25.531 6.270 -9.160 1.00 1.00 N ATOM 0 H LYS A 44 29.488 -0.111 -6.236 1.00 1.00 H new ATOM 0 HA LYS A 44 27.954 0.403 -8.605 1.00 1.00 H new ATOM 0 HB2 LYS A 44 26.952 2.034 -6.849 1.00 1.00 H new ATOM 0 HB3 LYS A 44 28.513 2.830 -6.833 1.00 1.00 H new ATOM 0 HG2 LYS A 44 28.352 3.210 -9.314 1.00 1.00 H new ATOM 0 HG3 LYS A 44 26.799 2.399 -9.342 1.00 1.00 H new ATOM 0 HD2 LYS A 44 25.878 4.089 -7.735 1.00 1.00 H new ATOM 0 HD3 LYS A 44 27.434 4.894 -7.682 1.00 1.00 H new ATOM 0 HE2 LYS A 44 27.293 5.483 -10.063 1.00 1.00 H new ATOM 0 HE3 LYS A 44 25.866 4.488 -10.279 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 25.217 6.784 -10.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 24.701 5.916 -8.643 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 26.073 6.912 -8.547 1.00 1.00 H new ATOM 538 N PRO A 45 30.185 0.995 -9.632 1.00 1.00 N ATOM 539 CA PRO A 45 31.550 1.218 -10.223 1.00 1.00 C ATOM 540 C PRO A 45 31.914 2.706 -10.359 1.00 1.00 C ATOM 541 O PRO A 45 32.368 3.343 -9.409 1.00 1.00 O ATOM 542 CB PRO A 45 31.446 0.518 -11.591 1.00 1.00 C ATOM 543 CG PRO A 45 30.012 0.712 -11.983 1.00 1.00 C ATOM 544 CD PRO A 45 29.216 0.586 -10.678 1.00 1.00 C ATOM 0 HA PRO A 45 32.347 0.824 -9.593 1.00 1.00 H new ATOM 0 HB2 PRO A 45 32.124 0.962 -12.320 1.00 1.00 H new ATOM 0 HB3 PRO A 45 31.702 -0.539 -11.520 1.00 1.00 H new ATOM 0 HG2 PRO A 45 29.859 1.687 -12.445 1.00 1.00 H new ATOM 0 HG3 PRO A 45 29.698 -0.037 -12.709 1.00 1.00 H new ATOM 0 HD2 PRO A 45 28.336 1.230 -10.682 1.00 1.00 H new ATOM 0 HD3 PRO A 45 28.864 -0.434 -10.521 1.00 1.00 H new ATOM 552 N TYR A 46 31.723 3.261 -11.552 1.00 1.00 N ATOM 553 CA TYR A 46 32.050 4.677 -11.803 1.00 1.00 C ATOM 554 C TYR A 46 30.974 5.335 -12.654 1.00 1.00 C ATOM 555 O TYR A 46 30.294 4.683 -13.445 1.00 1.00 O ATOM 556 CB TYR A 46 33.408 4.772 -12.513 1.00 1.00 C ATOM 557 CG TYR A 46 34.385 3.839 -11.830 1.00 1.00 C ATOM 558 CD1 TYR A 46 35.128 4.282 -10.727 1.00 1.00 C ATOM 559 CD2 TYR A 46 34.539 2.527 -12.295 1.00 1.00 C ATOM 560 CE1 TYR A 46 36.026 3.414 -10.093 1.00 1.00 C ATOM 561 CE2 TYR A 46 35.433 1.659 -11.660 1.00 1.00 C ATOM 562 CZ TYR A 46 36.178 2.101 -10.559 1.00 1.00 C ATOM 563 OH TYR A 46 37.060 1.246 -9.933 1.00 1.00 O ATOM 0 H TYR A 46 31.347 2.764 -12.360 1.00 1.00 H new ATOM 0 HA TYR A 46 32.100 5.200 -10.848 1.00 1.00 H new ATOM 0 HB2 TYR A 46 33.303 4.504 -13.564 1.00 1.00 H new ATOM 0 HB3 TYR A 46 33.779 5.796 -12.481 1.00 1.00 H new ATOM 0 HD1 TYR A 46 35.008 5.293 -10.366 1.00 1.00 H new ATOM 0 HD2 TYR A 46 33.967 2.185 -13.145 1.00 1.00 H new ATOM 0 HE1 TYR A 46 36.601 3.756 -9.245 1.00 1.00 H new ATOM 0 HE2 TYR A 46 35.549 0.647 -12.019 1.00 1.00 H new ATOM 0 HH TYR A 46 37.043 0.374 -10.380 1.00 1.00 H new ATOM 573 N ARG A 47 30.821 6.646 -12.492 1.00 1.00 N ATOM 574 CA ARG A 47 29.833 7.418 -13.252 1.00 1.00 C ATOM 575 C ARG A 47 30.433 8.749 -13.685 1.00 1.00 C ATOM 576 O ARG A 47 31.141 9.403 -12.919 1.00 1.00 O ATOM 577 CB ARG A 47 28.579 7.650 -12.398 1.00 1.00 C ATOM 578 CG ARG A 47 27.453 8.214 -13.272 1.00 1.00 C ATOM 579 CD ARG A 47 26.207 8.458 -12.417 1.00 1.00 C ATOM 580 NE ARG A 47 26.457 9.518 -11.446 1.00 1.00 N ATOM 581 CZ ARG A 47 25.542 9.848 -10.533 1.00 1.00 C ATOM 582 NH1 ARG A 47 24.396 9.216 -10.498 1.00 1.00 N ATOM 583 NH2 ARG A 47 25.788 10.803 -9.675 1.00 1.00 N ATOM 0 H ARG A 47 31.371 7.202 -11.837 1.00 1.00 H new ATOM 0 HA ARG A 47 29.550 6.856 -14.142 1.00 1.00 H new ATOM 0 HB2 ARG A 47 28.262 6.713 -11.940 1.00 1.00 H new ATOM 0 HB3 ARG A 47 28.803 8.342 -11.586 1.00 1.00 H new ATOM 0 HG2 ARG A 47 27.774 9.146 -13.738 1.00 1.00 H new ATOM 0 HG3 ARG A 47 27.222 7.517 -14.078 1.00 1.00 H new ATOM 0 HD2 ARG A 47 25.367 8.732 -13.056 1.00 1.00 H new ATOM 0 HD3 ARG A 47 25.928 7.540 -11.899 1.00 1.00 H new ATOM 0 HE ARG A 47 27.347 10.016 -11.466 1.00 1.00 H new ATOM 0 HH11 ARG A 47 24.203 8.472 -11.168 1.00 1.00 H new ATOM 0 HH12 ARG A 47 23.696 9.468 -9.800 1.00 1.00 H new ATOM 0 HH21 ARG A 47 26.680 11.297 -9.703 1.00 1.00 H new ATOM 0 HH22 ARG A 47 25.088 11.055 -8.977 1.00 1.00 H new ATOM 597 N CYS A 48 30.154 9.165 -14.916 1.00 1.00 N ATOM 598 CA CYS A 48 30.685 10.419 -15.444 1.00 1.00 C ATOM 599 C CYS A 48 29.939 11.621 -14.857 1.00 1.00 C ATOM 600 O CYS A 48 28.732 11.783 -15.041 1.00 1.00 O ATOM 601 CB CYS A 48 30.570 10.415 -16.973 1.00 1.00 C ATOM 602 SG CYS A 48 31.656 11.673 -17.675 1.00 1.00 S ATOM 0 H CYS A 48 29.562 8.651 -15.569 1.00 1.00 H new ATOM 0 HA CYS A 48 31.733 10.506 -15.158 1.00 1.00 H new ATOM 0 HB2 CYS A 48 30.837 9.433 -17.364 1.00 1.00 H new ATOM 0 HB3 CYS A 48 29.539 10.606 -17.269 1.00 1.00 H new ATOM 607 N ASN A 49 30.675 12.468 -14.146 1.00 1.00 N ATOM 608 CA ASN A 49 30.101 13.659 -13.528 1.00 1.00 C ATOM 609 C ASN A 49 29.710 14.695 -14.589 1.00 1.00 C ATOM 610 O ASN A 49 28.818 15.514 -14.375 1.00 1.00 O ATOM 611 CB ASN A 49 31.111 14.270 -12.554 1.00 1.00 C ATOM 612 CG ASN A 49 31.576 13.210 -11.559 1.00 1.00 C ATOM 613 OD1 ASN A 49 30.812 12.802 -10.683 1.00 1.00 O ATOM 614 ND2 ASN A 49 32.790 12.734 -11.644 1.00 1.00 N ATOM 0 H ASN A 49 31.675 12.351 -13.982 1.00 1.00 H new ATOM 0 HA ASN A 49 29.200 13.367 -12.988 1.00 1.00 H new ATOM 0 HB2 ASN A 49 31.965 14.666 -13.103 1.00 1.00 H new ATOM 0 HB3 ASN A 49 30.657 15.107 -12.023 1.00 1.00 H new ATOM 0 HD21 ASN A 49 33.106 12.023 -10.984 1.00 1.00 H new ATOM 0 HD22 ASN A 49 33.421 13.073 -12.370 1.00 1.00 H new ATOM 621 N ILE A 50 30.392 14.652 -15.729 1.00 1.00 N ATOM 622 CA ILE A 50 30.147 15.592 -16.825 1.00 1.00 C ATOM 623 C ILE A 50 28.726 15.444 -17.370 1.00 1.00 C ATOM 624 O ILE A 50 28.042 16.434 -17.623 1.00 1.00 O ATOM 625 CB ILE A 50 31.178 15.350 -17.955 1.00 1.00 C ATOM 626 CG1 ILE A 50 32.588 15.780 -17.483 1.00 1.00 C ATOM 627 CG2 ILE A 50 30.797 16.145 -19.232 1.00 1.00 C ATOM 628 CD1 ILE A 50 33.101 14.890 -16.332 1.00 1.00 C ATOM 0 H ILE A 50 31.126 13.971 -15.922 1.00 1.00 H new ATOM 0 HA ILE A 50 30.256 16.607 -16.442 1.00 1.00 H new ATOM 0 HB ILE A 50 31.178 14.286 -18.193 1.00 1.00 H new ATOM 0 HG12 ILE A 50 33.284 15.728 -18.321 1.00 1.00 H new ATOM 0 HG13 ILE A 50 32.561 16.819 -17.155 1.00 1.00 H new ATOM 0 HG21 ILE A 50 31.536 15.958 -20.011 1.00 1.00 H new ATOM 0 HG22 ILE A 50 29.815 15.825 -19.580 1.00 1.00 H new ATOM 0 HG23 ILE A 50 30.772 17.210 -19.003 1.00 1.00 H new ATOM 0 HD11 ILE A 50 34.093 15.224 -16.029 1.00 1.00 H new ATOM 0 HD12 ILE A 50 32.419 14.962 -15.485 1.00 1.00 H new ATOM 0 HD13 ILE A 50 33.153 13.855 -16.668 1.00 1.00 H new ATOM 640 N CYS A 51 28.276 14.209 -17.558 1.00 1.00 N ATOM 641 CA CYS A 51 26.928 13.935 -18.085 1.00 1.00 C ATOM 642 C CYS A 51 26.145 13.057 -17.117 1.00 1.00 C ATOM 643 O CYS A 51 25.107 13.472 -16.601 1.00 1.00 O ATOM 644 CB CYS A 51 27.039 13.252 -19.454 1.00 1.00 C ATOM 645 SG CYS A 51 28.128 11.812 -19.340 1.00 1.00 S ATOM 0 H CYS A 51 28.822 13.372 -17.355 1.00 1.00 H new ATOM 0 HA CYS A 51 26.394 14.878 -18.199 1.00 1.00 H new ATOM 0 HB2 CYS A 51 26.051 12.945 -19.798 1.00 1.00 H new ATOM 0 HB3 CYS A 51 27.428 13.955 -20.190 1.00 1.00 H new ATOM 650 N GLY A 52 26.631 11.846 -16.866 1.00 1.00 N ATOM 651 CA GLY A 52 25.964 10.919 -15.951 1.00 1.00 C ATOM 652 C GLY A 52 26.089 9.467 -16.415 1.00 1.00 C ATOM 653 O GLY A 52 25.485 8.574 -15.820 1.00 1.00 O ATOM 0 H GLY A 52 27.487 11.480 -17.283 1.00 1.00 H new ATOM 0 HA2 GLY A 52 26.395 11.020 -14.955 1.00 1.00 H new ATOM 0 HA3 GLY A 52 24.910 11.184 -15.871 1.00 1.00 H new ATOM 657 N ALA A 53 26.866 9.217 -17.464 1.00 1.00 N ATOM 658 CA ALA A 53 27.049 7.868 -17.994 1.00 1.00 C ATOM 659 C ALA A 53 27.685 6.943 -16.964 1.00 1.00 C ATOM 660 O ALA A 53 28.616 7.316 -16.253 1.00 1.00 O ATOM 661 CB ALA A 53 27.933 7.929 -19.247 1.00 1.00 C ATOM 0 H ALA A 53 27.384 9.937 -17.968 1.00 1.00 H new ATOM 0 HA ALA A 53 26.068 7.466 -18.245 1.00 1.00 H new ATOM 0 HB1 ALA A 53 28.071 6.923 -19.644 1.00 1.00 H new ATOM 0 HB2 ALA A 53 27.454 8.554 -20.000 1.00 1.00 H new ATOM 0 HB3 ALA A 53 28.903 8.353 -18.988 1.00 1.00 H new ATOM 667 N GLN A 54 27.172 5.719 -16.891 1.00 1.00 N ATOM 668 CA GLN A 54 27.680 4.710 -15.953 1.00 1.00 C ATOM 669 C GLN A 54 28.614 3.740 -16.674 1.00 1.00 C ATOM 670 O GLN A 54 28.379 3.374 -17.825 1.00 1.00 O ATOM 671 CB GLN A 54 26.508 3.944 -15.338 1.00 1.00 C ATOM 672 CG GLN A 54 25.681 4.887 -14.454 1.00 1.00 C ATOM 673 CD GLN A 54 24.486 4.145 -13.864 1.00 1.00 C ATOM 674 OE1 GLN A 54 23.594 3.719 -14.600 1.00 1.00 O ATOM 675 NE2 GLN A 54 24.413 3.965 -12.572 1.00 1.00 N ATOM 0 H GLN A 54 26.399 5.395 -17.473 1.00 1.00 H new ATOM 0 HA GLN A 54 28.239 5.211 -15.162 1.00 1.00 H new ATOM 0 HB2 GLN A 54 25.881 3.525 -16.125 1.00 1.00 H new ATOM 0 HB3 GLN A 54 26.878 3.107 -14.746 1.00 1.00 H new ATOM 0 HG2 GLN A 54 26.303 5.284 -13.652 1.00 1.00 H new ATOM 0 HG3 GLN A 54 25.336 5.738 -15.041 1.00 1.00 H new ATOM 0 HE21 GLN A 54 25.153 4.319 -11.965 1.00 1.00 H new ATOM 0 HE22 GLN A 54 23.616 3.471 -12.170 1.00 1.00 H new ATOM 684 N PHE A 55 29.683 3.330 -16.001 1.00 1.00 N ATOM 685 CA PHE A 55 30.662 2.403 -16.601 1.00 1.00 C ATOM 686 C PHE A 55 31.003 1.254 -15.660 1.00 1.00 C ATOM 687 O PHE A 55 31.050 1.406 -14.439 1.00 1.00 O ATOM 688 CB PHE A 55 31.941 3.170 -16.951 1.00 1.00 C ATOM 689 CG PHE A 55 31.654 4.147 -18.076 1.00 1.00 C ATOM 690 CD1 PHE A 55 31.655 3.699 -19.403 1.00 1.00 C ATOM 691 CD2 PHE A 55 31.380 5.492 -17.792 1.00 1.00 C ATOM 692 CE1 PHE A 55 31.383 4.594 -20.445 1.00 1.00 C ATOM 693 CE2 PHE A 55 31.111 6.385 -18.835 1.00 1.00 C ATOM 694 CZ PHE A 55 31.112 5.937 -20.160 1.00 1.00 C ATOM 0 H PHE A 55 29.902 3.616 -15.047 1.00 1.00 H new ATOM 0 HA PHE A 55 30.215 1.979 -17.500 1.00 1.00 H new ATOM 0 HB2 PHE A 55 32.308 3.705 -16.075 1.00 1.00 H new ATOM 0 HB3 PHE A 55 32.725 2.474 -17.251 1.00 1.00 H new ATOM 0 HD1 PHE A 55 31.866 2.663 -19.623 1.00 1.00 H new ATOM 0 HD2 PHE A 55 31.377 5.839 -16.769 1.00 1.00 H new ATOM 0 HE1 PHE A 55 31.382 4.248 -21.468 1.00 1.00 H new ATOM 0 HE2 PHE A 55 30.902 7.422 -18.617 1.00 1.00 H new ATOM 0 HZ PHE A 55 30.904 6.628 -20.964 1.00 1.00 H new ATOM 704 N ASN A 56 31.259 0.086 -16.238 1.00 1.00 N ATOM 705 CA ASN A 56 31.611 -1.100 -15.452 1.00 1.00 C ATOM 706 C ASN A 56 33.127 -1.207 -15.325 1.00 1.00 C ATOM 707 O ASN A 56 33.650 -2.018 -14.562 1.00 1.00 O ATOM 708 CB ASN A 56 31.060 -2.356 -16.136 1.00 1.00 C ATOM 709 CG ASN A 56 29.537 -2.372 -16.049 1.00 1.00 C ATOM 710 OD1 ASN A 56 28.955 -1.629 -15.260 1.00 1.00 O ATOM 711 ND2 ASN A 56 28.857 -3.186 -16.808 1.00 1.00 N ATOM 0 H ASN A 56 31.231 -0.069 -17.246 1.00 1.00 H new ATOM 0 HA ASN A 56 31.175 -1.011 -14.457 1.00 1.00 H new ATOM 0 HB2 ASN A 56 31.373 -2.379 -17.180 1.00 1.00 H new ATOM 0 HB3 ASN A 56 31.469 -3.248 -15.661 1.00 1.00 H new ATOM 0 HD21 ASN A 56 27.839 -3.208 -16.749 1.00 1.00 H new ATOM 0 HD22 ASN A 56 29.343 -3.800 -17.461 1.00 1.00 H new ATOM 718 N ARG A 57 33.846 -0.379 -16.076 1.00 1.00 N ATOM 719 CA ARG A 57 35.317 -0.381 -16.040 1.00 1.00 C ATOM 720 C ARG A 57 35.873 1.048 -16.206 1.00 1.00 C ATOM 721 O ARG A 57 35.292 1.846 -16.943 1.00 1.00 O ATOM 722 CB ARG A 57 35.863 -1.272 -17.163 1.00 1.00 C ATOM 723 CG ARG A 57 35.348 -2.705 -16.982 1.00 1.00 C ATOM 724 CD ARG A 57 36.068 -3.641 -17.957 1.00 1.00 C ATOM 725 NE ARG A 57 35.828 -3.208 -19.326 1.00 1.00 N ATOM 726 CZ ARG A 57 36.242 -3.928 -20.367 1.00 1.00 C ATOM 727 NH1 ARG A 57 36.874 -5.055 -20.176 1.00 1.00 N ATOM 728 NH2 ARG A 57 36.007 -3.506 -21.580 1.00 1.00 N ATOM 0 H ARG A 57 33.442 0.303 -16.718 1.00 1.00 H new ATOM 0 HA ARG A 57 35.634 -0.770 -15.072 1.00 1.00 H new ATOM 0 HB2 ARG A 57 35.552 -0.883 -18.133 1.00 1.00 H new ATOM 0 HB3 ARG A 57 36.953 -1.263 -17.151 1.00 1.00 H new ATOM 0 HG2 ARG A 57 35.515 -3.035 -15.957 1.00 1.00 H new ATOM 0 HG3 ARG A 57 34.273 -2.740 -17.157 1.00 1.00 H new ATOM 0 HD2 ARG A 57 37.138 -3.644 -17.749 1.00 1.00 H new ATOM 0 HD3 ARG A 57 35.714 -4.663 -17.822 1.00 1.00 H new ATOM 0 HE ARG A 57 35.331 -2.333 -19.492 1.00 1.00 H new ATOM 0 HH11 ARG A 57 37.052 -5.386 -19.228 1.00 1.00 H new ATOM 0 HH12 ARG A 57 37.190 -5.604 -20.975 1.00 1.00 H new ATOM 0 HH21 ARG A 57 35.508 -2.628 -21.727 1.00 1.00 H new ATOM 0 HH22 ARG A 57 36.322 -4.054 -22.381 1.00 1.00 H new ATOM 742 N PRO A 58 36.953 1.386 -15.557 1.00 1.00 N ATOM 743 CA PRO A 58 37.548 2.758 -15.671 1.00 1.00 C ATOM 744 C PRO A 58 38.121 3.019 -17.064 1.00 1.00 C ATOM 745 O PRO A 58 38.161 4.162 -17.519 1.00 1.00 O ATOM 746 CB PRO A 58 38.650 2.785 -14.584 1.00 1.00 C ATOM 747 CG PRO A 58 39.016 1.342 -14.365 1.00 1.00 C ATOM 748 CD PRO A 58 37.741 0.528 -14.646 1.00 1.00 C ATOM 0 HA PRO A 58 36.804 3.542 -15.527 1.00 1.00 H new ATOM 0 HB2 PRO A 58 39.513 3.366 -14.911 1.00 1.00 H new ATOM 0 HB3 PRO A 58 38.286 3.244 -13.665 1.00 1.00 H new ATOM 0 HG2 PRO A 58 39.825 1.040 -15.030 1.00 1.00 H new ATOM 0 HG3 PRO A 58 39.365 1.179 -13.345 1.00 1.00 H new ATOM 0 HD2 PRO A 58 37.975 -0.432 -15.107 1.00 1.00 H new ATOM 0 HD3 PRO A 58 37.194 0.316 -13.727 1.00 1.00 H new ATOM 756 N ALA A 59 38.564 1.962 -17.735 1.00 1.00 N ATOM 757 CA ALA A 59 39.134 2.091 -19.065 1.00 1.00 C ATOM 758 C ALA A 59 38.128 2.732 -20.001 1.00 1.00 C ATOM 759 O ALA A 59 38.464 3.640 -20.761 1.00 1.00 O ATOM 760 CB ALA A 59 39.533 0.717 -19.595 1.00 1.00 C ATOM 0 H ALA A 59 38.538 1.007 -17.377 1.00 1.00 H new ATOM 0 HA ALA A 59 40.020 2.723 -19.010 1.00 1.00 H new ATOM 0 HB1 ALA A 59 39.960 0.822 -20.593 1.00 1.00 H new ATOM 0 HB2 ALA A 59 40.272 0.271 -18.929 1.00 1.00 H new ATOM 0 HB3 ALA A 59 38.653 0.076 -19.642 1.00 1.00 H new ATOM 766 N ASN A 60 36.885 2.266 -19.945 1.00 1.00 N ATOM 767 CA ASN A 60 35.829 2.806 -20.779 1.00 1.00 C ATOM 768 C ASN A 60 35.580 4.263 -20.421 1.00 1.00 C ATOM 769 O ASN A 60 35.279 5.076 -21.294 1.00 1.00 O ATOM 770 CB ASN A 60 34.544 1.999 -20.598 1.00 1.00 C ATOM 771 CG ASN A 60 34.805 0.535 -20.932 1.00 1.00 C ATOM 772 OD1 ASN A 60 34.174 -0.356 -20.364 1.00 1.00 O ATOM 773 ND2 ASN A 60 35.708 0.231 -21.828 1.00 1.00 N ATOM 0 H ASN A 60 36.588 1.512 -19.326 1.00 1.00 H new ATOM 0 HA ASN A 60 36.139 2.741 -21.822 1.00 1.00 H new ATOM 0 HB2 ASN A 60 34.188 2.090 -19.572 1.00 1.00 H new ATOM 0 HB3 ASN A 60 33.760 2.395 -21.244 1.00 1.00 H new ATOM 0 HD21 ASN A 60 35.890 -0.746 -22.057 1.00 1.00 H new ATOM 0 HD22 ASN A 60 36.230 0.971 -22.298 1.00 1.00 H new ATOM 780 N LEU A 61 35.702 4.604 -19.141 1.00 1.00 N ATOM 781 CA LEU A 61 35.479 5.970 -18.692 1.00 1.00 C ATOM 782 C LEU A 61 36.506 6.889 -19.347 1.00 1.00 C ATOM 783 O LEU A 61 36.176 7.965 -19.844 1.00 1.00 O ATOM 784 CB LEU A 61 35.593 6.051 -17.145 1.00 1.00 C ATOM 785 CG LEU A 61 34.589 7.060 -16.559 1.00 1.00 C ATOM 786 CD1 LEU A 61 34.746 7.107 -15.035 1.00 1.00 C ATOM 787 CD2 LEU A 61 34.807 8.458 -17.140 1.00 1.00 C ATOM 0 H LEU A 61 35.954 3.952 -18.399 1.00 1.00 H new ATOM 0 HA LEU A 61 34.477 6.287 -18.980 1.00 1.00 H new ATOM 0 HB2 LEU A 61 35.415 5.066 -16.714 1.00 1.00 H new ATOM 0 HB3 LEU A 61 36.606 6.342 -16.868 1.00 1.00 H new ATOM 0 HG LEU A 61 33.582 6.735 -16.821 1.00 1.00 H new ATOM 0 HD11 LEU A 61 34.036 7.821 -14.618 1.00 1.00 H new ATOM 0 HD12 LEU A 61 34.553 6.118 -14.619 1.00 1.00 H new ATOM 0 HD13 LEU A 61 35.761 7.415 -14.783 1.00 1.00 H new ATOM 0 HD21 LEU A 61 34.083 9.149 -16.707 1.00 1.00 H new ATOM 0 HD22 LEU A 61 35.816 8.796 -16.906 1.00 1.00 H new ATOM 0 HD23 LEU A 61 34.677 8.427 -18.222 1.00 1.00 H new ATOM 799 N LYS A 62 37.763 6.454 -19.349 1.00 1.00 N ATOM 800 CA LYS A 62 38.844 7.220 -19.950 1.00 1.00 C ATOM 801 C LYS A 62 38.574 7.395 -21.437 1.00 1.00 C ATOM 802 O LYS A 62 38.777 8.467 -22.007 1.00 1.00 O ATOM 803 CB LYS A 62 40.187 6.488 -19.754 1.00 1.00 C ATOM 804 CG LYS A 62 40.625 6.546 -18.279 1.00 1.00 C ATOM 805 CD LYS A 62 42.072 6.023 -18.121 1.00 1.00 C ATOM 806 CE LYS A 62 42.123 4.496 -18.271 1.00 1.00 C ATOM 807 NZ LYS A 62 43.493 4.018 -17.927 1.00 1.00 N ATOM 0 H LYS A 62 38.057 5.568 -18.937 1.00 1.00 H new ATOM 0 HA LYS A 62 38.899 8.196 -19.468 1.00 1.00 H new ATOM 0 HB2 LYS A 62 40.091 5.449 -20.070 1.00 1.00 H new ATOM 0 HB3 LYS A 62 40.951 6.943 -20.384 1.00 1.00 H new ATOM 0 HG2 LYS A 62 40.561 7.571 -17.915 1.00 1.00 H new ATOM 0 HG3 LYS A 62 39.948 5.948 -17.669 1.00 1.00 H new ATOM 0 HD2 LYS A 62 42.714 6.487 -18.869 1.00 1.00 H new ATOM 0 HD3 LYS A 62 42.462 6.310 -17.144 1.00 1.00 H new ATOM 0 HE2 LYS A 62 41.386 4.029 -17.617 1.00 1.00 H new ATOM 0 HE3 LYS A 62 41.870 4.210 -19.292 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 43.535 2.984 -18.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 44.185 4.456 -18.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 43.716 4.281 -16.946 1.00 1.00 H new ATOM 821 N THR A 63 38.099 6.325 -22.066 1.00 1.00 N ATOM 822 CA THR A 63 37.789 6.357 -23.484 1.00 1.00 C ATOM 823 C THR A 63 36.591 7.267 -23.730 1.00 1.00 C ATOM 824 O THR A 63 36.440 7.840 -24.809 1.00 1.00 O ATOM 825 CB THR A 63 37.500 4.934 -23.969 1.00 1.00 C ATOM 826 OG1 THR A 63 38.656 4.133 -23.762 1.00 1.00 O ATOM 827 CG2 THR A 63 37.151 4.949 -25.457 1.00 1.00 C ATOM 0 H THR A 63 37.922 5.428 -21.614 1.00 1.00 H new ATOM 0 HA THR A 63 38.639 6.753 -24.040 1.00 1.00 H new ATOM 0 HB THR A 63 36.657 4.525 -23.412 1.00 1.00 H new ATOM 0 HG1 THR A 63 38.715 3.882 -22.817 1.00 1.00 H new ATOM 0 HG21 THR A 63 36.947 3.932 -25.793 1.00 1.00 H new ATOM 0 HG22 THR A 63 36.268 5.568 -25.617 1.00 1.00 H new ATOM 0 HG23 THR A 63 37.988 5.357 -26.023 1.00 1.00 H new ATOM 835 N HIS A 64 35.741 7.390 -22.715 1.00 1.00 N ATOM 836 CA HIS A 64 34.555 8.244 -22.804 1.00 1.00 C ATOM 837 C HIS A 64 34.952 9.695 -22.535 1.00 1.00 C ATOM 838 O HIS A 64 34.456 10.627 -23.166 1.00 1.00 O ATOM 839 CB HIS A 64 33.509 7.785 -21.775 1.00 1.00 C ATOM 840 CG HIS A 64 32.383 8.774 -21.702 1.00 1.00 C ATOM 841 ND1 HIS A 64 31.386 8.845 -22.659 1.00 1.00 N ATOM 842 CD2 HIS A 64 32.106 9.756 -20.795 1.00 1.00 C ATOM 843 CE1 HIS A 64 30.559 9.848 -22.307 1.00 1.00 C ATOM 844 NE2 HIS A 64 30.952 10.438 -21.173 1.00 1.00 N ATOM 0 H HIS A 64 35.849 6.911 -21.821 1.00 1.00 H new ATOM 0 HA HIS A 64 34.126 8.169 -23.803 1.00 1.00 H new ATOM 0 HB2 HIS A 64 33.123 6.804 -22.051 1.00 1.00 H new ATOM 0 HB3 HIS A 64 33.974 7.680 -20.795 1.00 1.00 H new ATOM 0 HD1 HIS A 64 31.294 8.247 -23.480 1.00 1.00 H new ATOM 0 HD2 HIS A 64 32.694 9.972 -19.915 1.00 1.00 H new ATOM 0 HE1 HIS A 64 29.686 10.140 -22.871 1.00 1.00 H new ATOM 852 N THR A 65 35.866 9.885 -21.587 1.00 1.00 N ATOM 853 CA THR A 65 36.321 11.226 -21.248 1.00 1.00 C ATOM 854 C THR A 65 36.898 11.894 -22.489 1.00 1.00 C ATOM 855 O THR A 65 36.827 13.114 -22.644 1.00 1.00 O ATOM 856 CB THR A 65 37.383 11.163 -20.135 1.00 1.00 C ATOM 857 OG1 THR A 65 38.467 10.363 -20.584 1.00 1.00 O ATOM 858 CG2 THR A 65 36.796 10.554 -18.830 1.00 1.00 C ATOM 0 H THR A 65 36.300 9.136 -21.047 1.00 1.00 H new ATOM 0 HA THR A 65 35.476 11.811 -20.885 1.00 1.00 H new ATOM 0 HB THR A 65 37.720 12.176 -19.913 1.00 1.00 H new ATOM 0 HG1 THR A 65 38.168 9.790 -21.321 1.00 1.00 H new ATOM 0 HG21 THR A 65 37.570 10.523 -18.063 1.00 1.00 H new ATOM 0 HG22 THR A 65 35.966 11.169 -18.483 1.00 1.00 H new ATOM 0 HG23 THR A 65 36.441 9.543 -19.028 1.00 1.00 H new ATOM 866 N ARG A 66 37.462 11.083 -23.378 1.00 1.00 N ATOM 867 CA ARG A 66 38.029 11.587 -24.616 1.00 1.00 C ATOM 868 C ARG A 66 36.964 12.319 -25.425 1.00 1.00 C ATOM 869 O ARG A 66 37.262 13.321 -26.075 1.00 1.00 O ATOM 870 CB ARG A 66 38.605 10.422 -25.429 1.00 1.00 C ATOM 871 CG ARG A 66 39.217 10.934 -26.739 1.00 1.00 C ATOM 872 CD ARG A 66 39.751 9.756 -27.543 1.00 1.00 C ATOM 873 NE ARG A 66 38.669 8.832 -27.864 1.00 1.00 N ATOM 874 CZ ARG A 66 38.903 7.687 -28.508 1.00 1.00 C ATOM 875 NH1 ARG A 66 40.116 7.383 -28.887 1.00 1.00 N ATOM 876 NH2 ARG A 66 37.913 6.873 -28.766 1.00 1.00 N ATOM 0 H ARG A 66 37.537 10.073 -23.260 1.00 1.00 H new ATOM 0 HA ARG A 66 38.829 12.290 -24.382 1.00 1.00 H new ATOM 0 HB2 ARG A 66 39.364 9.903 -24.844 1.00 1.00 H new ATOM 0 HB3 ARG A 66 37.819 9.698 -25.646 1.00 1.00 H new ATOM 0 HG2 ARG A 66 38.467 11.473 -27.317 1.00 1.00 H new ATOM 0 HG3 ARG A 66 40.022 11.638 -26.527 1.00 1.00 H new ATOM 0 HD2 ARG A 66 40.217 10.114 -28.461 1.00 1.00 H new ATOM 0 HD3 ARG A 66 40.524 9.239 -26.974 1.00 1.00 H new ATOM 0 HE ARG A 66 37.714 9.066 -27.591 1.00 1.00 H new ATOM 0 HH11 ARG A 66 40.887 8.022 -28.691 1.00 1.00 H new ATOM 0 HH12 ARG A 66 40.292 6.507 -29.379 1.00 1.00 H new ATOM 0 HH21 ARG A 66 36.966 7.114 -28.475 1.00 1.00 H new ATOM 0 HH22 ARG A 66 38.088 5.997 -29.258 1.00 1.00 H new ATOM 890 N ILE A 67 35.728 11.832 -25.395 1.00 1.00 N ATOM 891 CA ILE A 67 34.640 12.445 -26.139 1.00 1.00 C ATOM 892 C ILE A 67 34.413 13.870 -25.643 1.00 1.00 C ATOM 893 O ILE A 67 34.208 14.788 -26.436 1.00 1.00 O ATOM 894 CB ILE A 67 33.355 11.619 -25.986 1.00 1.00 C ATOM 895 CG1 ILE A 67 33.631 10.160 -26.396 1.00 1.00 C ATOM 896 CG2 ILE A 67 32.285 12.197 -26.910 1.00 1.00 C ATOM 897 CD1 ILE A 67 32.414 9.281 -26.079 1.00 1.00 C ATOM 0 H ILE A 67 35.456 11.008 -24.858 1.00 1.00 H new ATOM 0 HA ILE A 67 34.908 12.474 -27.195 1.00 1.00 H new ATOM 0 HB ILE A 67 33.018 11.652 -24.950 1.00 1.00 H new ATOM 0 HG12 ILE A 67 33.857 10.110 -27.461 1.00 1.00 H new ATOM 0 HG13 ILE A 67 34.507 9.785 -25.867 1.00 1.00 H new ATOM 0 HG21 ILE A 67 31.367 11.618 -26.810 1.00 1.00 H new ATOM 0 HG22 ILE A 67 32.091 13.235 -26.638 1.00 1.00 H new ATOM 0 HG23 ILE A 67 32.632 12.151 -27.942 1.00 1.00 H new ATOM 0 HD11 ILE A 67 32.622 8.252 -26.373 1.00 1.00 H new ATOM 0 HD12 ILE A 67 32.207 9.318 -25.009 1.00 1.00 H new ATOM 0 HD13 ILE A 67 31.547 9.648 -26.629 1.00 1.00 H new ATOM 909 N HIS A 68 34.454 14.069 -24.330 1.00 1.00 N ATOM 910 CA HIS A 68 34.266 15.402 -23.756 1.00 1.00 C ATOM 911 C HIS A 68 35.432 16.324 -24.138 1.00 1.00 C ATOM 912 O HIS A 68 35.722 17.301 -23.448 1.00 1.00 O ATOM 913 CB HIS A 68 34.158 15.302 -22.225 1.00 1.00 C ATOM 914 CG HIS A 68 32.837 14.685 -21.847 1.00 1.00 C ATOM 915 ND1 HIS A 68 31.664 15.011 -22.505 1.00 1.00 N ATOM 916 CD2 HIS A 68 32.489 13.775 -20.884 1.00 1.00 C ATOM 917 CE1 HIS A 68 30.670 14.309 -21.935 1.00 1.00 C ATOM 918 NE2 HIS A 68 31.114 13.538 -20.940 1.00 1.00 N ATOM 0 H HIS A 68 34.615 13.331 -23.644 1.00 1.00 H new ATOM 0 HA HIS A 68 33.344 15.825 -24.155 1.00 1.00 H new ATOM 0 HB2 HIS A 68 34.977 14.700 -21.832 1.00 1.00 H new ATOM 0 HB3 HIS A 68 34.248 16.293 -21.779 1.00 1.00 H new ATOM 0 HD1 HIS A 68 31.571 15.665 -23.282 1.00 1.00 H new ATOM 0 HD2 HIS A 68 33.173 13.312 -20.188 1.00 1.00 H new ATOM 0 HE1 HIS A 68 29.637 14.362 -22.245 1.00 1.00 H new ATOM 926 N SER A 69 36.090 16.013 -25.250 1.00 1.00 N ATOM 927 CA SER A 69 37.209 16.814 -25.718 1.00 1.00 C ATOM 928 C SER A 69 36.763 18.249 -25.976 1.00 1.00 C ATOM 929 O SER A 69 37.442 19.200 -25.588 1.00 1.00 O ATOM 930 CB SER A 69 37.781 16.211 -27.004 1.00 1.00 C ATOM 931 OG SER A 69 38.622 17.161 -27.635 1.00 1.00 O ATOM 0 H SER A 69 35.866 15.213 -25.841 1.00 1.00 H new ATOM 0 HA SER A 69 37.981 16.818 -24.948 1.00 1.00 H new ATOM 0 HB2 SER A 69 38.344 15.306 -26.776 1.00 1.00 H new ATOM 0 HB3 SER A 69 36.972 15.923 -27.675 1.00 1.00 H new ATOM 0 HG SER A 69 38.990 16.776 -28.458 1.00 1.00 H new ATOM 937 N GLY A 70 35.619 18.415 -26.633 1.00 1.00 N ATOM 938 CA GLY A 70 35.086 19.743 -26.933 1.00 1.00 C ATOM 939 C GLY A 70 35.809 20.374 -28.115 1.00 1.00 C ATOM 940 O GLY A 70 35.546 20.035 -29.270 1.00 1.00 O ATOM 0 H GLY A 70 35.041 17.645 -26.969 1.00 1.00 H new ATOM 0 HA2 GLY A 70 34.021 19.669 -27.153 1.00 1.00 H new ATOM 0 HA3 GLY A 70 35.187 20.384 -26.057 1.00 1.00 H new ATOM 944 N GLU A 71 36.722 21.294 -27.821 1.00 1.00 N ATOM 945 CA GLU A 71 37.478 21.977 -28.861 1.00 1.00 C ATOM 946 C GLU A 71 38.309 20.978 -29.662 1.00 1.00 C ATOM 947 O GLU A 71 39.092 20.208 -29.105 1.00 1.00 O ATOM 948 CB GLU A 71 38.393 23.023 -28.218 1.00 1.00 C ATOM 949 CG GLU A 71 39.102 23.847 -29.297 1.00 1.00 C ATOM 950 CD GLU A 71 39.962 24.928 -28.646 1.00 1.00 C ATOM 951 OE1 GLU A 71 39.783 25.172 -27.463 1.00 1.00 O ATOM 952 OE2 GLU A 71 40.790 25.495 -29.339 1.00 1.00 O ATOM 0 H GLU A 71 36.955 21.583 -26.871 1.00 1.00 H new ATOM 0 HA GLU A 71 36.783 22.469 -29.541 1.00 1.00 H new ATOM 0 HB2 GLU A 71 37.808 23.681 -27.575 1.00 1.00 H new ATOM 0 HB3 GLU A 71 39.130 22.530 -27.584 1.00 1.00 H new ATOM 0 HG2 GLU A 71 39.724 23.197 -29.913 1.00 1.00 H new ATOM 0 HG3 GLU A 71 38.367 24.305 -29.959 1.00 1.00 H new ATOM 959 N LYS A 72 38.137 20.994 -30.980 1.00 1.00 N ATOM 960 CA LYS A 72 38.871 20.094 -31.863 1.00 1.00 C ATOM 961 C LYS A 72 38.659 20.504 -33.325 1.00 1.00 C ATOM 962 O LYS A 72 38.240 19.690 -34.148 1.00 1.00 O ATOM 963 CB LYS A 72 38.407 18.642 -31.641 1.00 1.00 C ATOM 964 CG LYS A 72 39.427 17.663 -32.237 1.00 1.00 C ATOM 965 CD LYS A 72 38.898 16.234 -32.104 1.00 1.00 C ATOM 966 CE LYS A 72 39.898 15.254 -32.725 1.00 1.00 C ATOM 967 NZ LYS A 72 39.473 13.859 -32.421 1.00 1.00 N ATOM 0 H LYS A 72 37.494 21.622 -31.461 1.00 1.00 H new ATOM 0 HA LYS A 72 39.934 20.160 -31.633 1.00 1.00 H new ATOM 0 HB2 LYS A 72 38.287 18.450 -30.575 1.00 1.00 H new ATOM 0 HB3 LYS A 72 37.432 18.489 -32.104 1.00 1.00 H new ATOM 0 HG2 LYS A 72 39.605 17.900 -33.286 1.00 1.00 H new ATOM 0 HG3 LYS A 72 40.383 17.758 -31.722 1.00 1.00 H new ATOM 0 HD2 LYS A 72 38.740 15.991 -31.053 1.00 1.00 H new ATOM 0 HD3 LYS A 72 37.932 16.146 -32.600 1.00 1.00 H new ATOM 0 HE2 LYS A 72 39.950 15.404 -33.803 1.00 1.00 H new ATOM 0 HE3 LYS A 72 40.897 15.436 -32.329 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 40.150 13.191 -32.841 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 39.445 13.721 -31.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 38.527 13.690 -32.819 1.00 1.00 H new ATOM 981 N PRO A 73 38.931 21.735 -33.666 1.00 1.00 N ATOM 982 CA PRO A 73 38.753 22.242 -35.062 1.00 1.00 C ATOM 983 C PRO A 73 39.699 21.558 -36.051 1.00 1.00 C ATOM 984 O PRO A 73 39.471 21.617 -37.260 1.00 1.00 O ATOM 985 CB PRO A 73 39.034 23.761 -34.951 1.00 1.00 C ATOM 986 CG PRO A 73 39.886 23.905 -33.721 1.00 1.00 C ATOM 987 CD PRO A 73 39.430 22.793 -32.763 1.00 1.00 C ATOM 0 HA PRO A 73 37.757 22.031 -35.451 1.00 1.00 H new ATOM 0 HB2 PRO A 73 39.550 24.133 -35.836 1.00 1.00 H new ATOM 0 HB3 PRO A 73 38.108 24.329 -34.860 1.00 1.00 H new ATOM 0 HG2 PRO A 73 40.944 23.803 -33.964 1.00 1.00 H new ATOM 0 HG3 PRO A 73 39.757 24.888 -33.269 1.00 1.00 H new ATOM 0 HD2 PRO A 73 40.253 22.436 -32.144 1.00 1.00 H new ATOM 0 HD3 PRO A 73 38.650 23.142 -32.086 1.00 1.00 H new ATOM 995 N TYR A 74 40.749 20.920 -35.546 1.00 1.00 N ATOM 996 CA TYR A 74 41.708 20.238 -36.399 1.00 1.00 C ATOM 997 C TYR A 74 41.032 19.104 -37.166 1.00 1.00 C ATOM 998 O TYR A 74 40.679 19.318 -38.314 1.00 1.00 O ATOM 999 CB TYR A 74 42.842 19.666 -35.544 1.00 1.00 C ATOM 1000 CG TYR A 74 43.594 20.793 -34.855 1.00 1.00 C ATOM 1001 CD1 TYR A 74 43.182 21.248 -33.592 1.00 1.00 C ATOM 1002 CD2 TYR A 74 44.713 21.374 -35.471 1.00 1.00 C ATOM 1003 CE1 TYR A 74 43.886 22.278 -32.952 1.00 1.00 C ATOM 1004 CE2 TYR A 74 45.413 22.404 -34.830 1.00 1.00 C ATOM 1005 CZ TYR A 74 45.001 22.854 -33.571 1.00 1.00 C ATOM 1006 OH TYR A 74 45.696 23.868 -32.937 1.00 1.00 O ATOM 1007 OXT TYR A 74 40.876 18.038 -36.592 1.00 1.00 O ATOM 0 H TYR A 74 40.956 20.862 -34.549 1.00 1.00 H new ATOM 0 HA TYR A 74 42.110 20.957 -37.113 1.00 1.00 H new ATOM 0 HB2 TYR A 74 42.437 18.980 -34.800 1.00 1.00 H new ATOM 0 HB3 TYR A 74 43.525 19.091 -36.169 1.00 1.00 H new ATOM 0 HD1 TYR A 74 42.322 20.804 -33.113 1.00 1.00 H new ATOM 0 HD2 TYR A 74 45.035 21.026 -36.441 1.00 1.00 H new ATOM 0 HE1 TYR A 74 43.568 22.627 -31.981 1.00 1.00 H new ATOM 0 HE2 TYR A 74 46.272 22.851 -35.308 1.00 1.00 H new ATOM 0 HH TYR A 74 46.443 24.156 -33.502 1.00 1.00 H new TER 1017 TYR A 74 HETATM 1018 ZN ZN A 200 36.343 -2.402 4.808 1.00 1.00 ZN HETATM 1019 ZN ZN A 300 30.454 11.920 -19.691 1.00 1.00 ZN