USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 390 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 26 HIS HD1 : A 26 HIS ND1 : A 52 ZNZN :(H bumps) USER MOD Set 1.1: A 43 GLN : amide:sc= 0.794 K(o=1.3,f=0.6) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.516 K(o=1.3,f=0.6) USER MOD Single : A 1 ALA N :NH3+ 178:sc= 0.986 (180deg=0.982) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= 0.651 (180deg=-0.0218!) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0.0564 (180deg=-0.179) USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 1.87 (180deg=1.85) USER MOD Single : A 22 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= 1.03 (180deg=0.69) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 24:sc= 0.439 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.657 11.821 -6.281 1.00 0.00 N ATOM 2 CA ALA A 1 3.769 10.737 -6.741 1.00 0.00 C ATOM 3 C ALA A 1 3.620 9.647 -5.676 1.00 0.00 C ATOM 4 O ALA A 1 4.338 9.648 -4.680 1.00 0.00 O ATOM 5 CB ALA A 1 4.290 10.140 -8.053 1.00 0.00 C ATOM 0 H1 ALA A 1 4.764 12.527 -7.038 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.245 12.274 -5.441 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.589 11.428 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 1 2.782 11.165 -6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.624 9.341 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.327 10.917 -8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.291 9.737 -7.897 1.00 0.00 H new ATOM 13 N ARG A 2 2.693 8.709 -5.897 1.00 0.00 N ATOM 14 CA ARG A 2 2.573 7.496 -5.096 1.00 0.00 C ATOM 15 C ARG A 2 3.731 6.523 -5.362 1.00 0.00 C ATOM 16 O ARG A 2 4.620 6.805 -6.167 1.00 0.00 O ATOM 17 CB ARG A 2 1.189 6.863 -5.296 1.00 0.00 C ATOM 18 CG ARG A 2 0.975 6.289 -6.705 1.00 0.00 C ATOM 19 CD ARG A 2 -0.474 5.832 -6.914 1.00 0.00 C ATOM 20 NE ARG A 2 -0.820 4.665 -6.087 1.00 0.00 N ATOM 21 CZ ARG A 2 -1.411 4.685 -4.879 1.00 0.00 C ATOM 22 NH1 ARG A 2 -1.705 5.836 -4.258 1.00 0.00 N ATOM 23 NH2 ARG A 2 -1.707 3.527 -4.278 1.00 0.00 N ATOM 0 H ARG A 2 2.001 8.775 -6.644 1.00 0.00 H new ATOM 0 HA ARG A 2 2.654 7.761 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.053 6.067 -4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.423 7.613 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.230 7.044 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.649 5.447 -6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.149 6.654 -6.677 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.627 5.587 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.588 3.748 -6.469 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.480 6.727 -4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.153 5.821 -3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.484 2.643 -4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.155 3.528 -3.362 1.00 0.00 H new ATOM 37 N CYS A 3 3.707 5.376 -4.675 1.00 0.00 N ATOM 38 CA CYS A 3 4.804 4.418 -4.599 1.00 0.00 C ATOM 39 C CYS A 3 4.305 3.005 -4.914 1.00 0.00 C ATOM 40 O CYS A 3 3.102 2.752 -4.878 1.00 0.00 O ATOM 41 CB CYS A 3 5.362 4.520 -3.178 1.00 0.00 C ATOM 42 SG CYS A 3 6.873 3.607 -2.802 1.00 0.00 S ATOM 0 H CYS A 3 2.891 5.083 -4.138 1.00 0.00 H new ATOM 0 HA CYS A 3 5.582 4.635 -5.331 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.545 5.573 -2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.587 4.185 -2.489 1.00 0.00 H new ATOM 47 N LYS A 4 5.224 2.081 -5.218 1.00 0.00 N ATOM 48 CA LYS A 4 4.935 0.662 -5.363 1.00 0.00 C ATOM 49 C LYS A 4 4.886 -0.041 -4.004 1.00 0.00 C ATOM 50 O LYS A 4 4.030 -0.896 -3.783 1.00 0.00 O ATOM 51 CB LYS A 4 5.986 0.020 -6.274 1.00 0.00 C ATOM 52 CG LYS A 4 6.057 0.644 -7.676 1.00 0.00 C ATOM 53 CD LYS A 4 4.726 0.682 -8.446 1.00 0.00 C ATOM 54 CE LYS A 4 4.053 -0.687 -8.608 1.00 0.00 C ATOM 55 NZ LYS A 4 4.908 -1.646 -9.329 1.00 0.00 N ATOM 0 H LYS A 4 6.206 2.310 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 4 3.950 0.550 -5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.964 0.103 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.768 -1.044 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.434 1.663 -7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.784 0.087 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.040 1.353 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.903 1.106 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.809 -1.089 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.112 -0.566 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.413 -2.556 -9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.120 -1.277 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.795 -1.783 -8.804 1.00 0.00 H new ATOM 69 N VAL A 5 5.805 0.317 -3.102 1.00 0.00 N ATOM 70 CA VAL A 5 5.895 -0.242 -1.759 1.00 0.00 C ATOM 71 C VAL A 5 4.676 0.179 -0.938 1.00 0.00 C ATOM 72 O VAL A 5 3.782 -0.631 -0.697 1.00 0.00 O ATOM 73 CB VAL A 5 7.220 0.181 -1.101 1.00 0.00 C ATOM 74 CG1 VAL A 5 7.348 -0.325 0.342 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.408 -0.354 -1.903 1.00 0.00 C ATOM 0 H VAL A 5 6.520 1.019 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 5 5.893 -1.331 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 5 7.221 1.271 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.301 0.001 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.532 0.078 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.302 -1.414 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.338 -0.046 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.362 -1.442 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.372 0.045 -2.917 1.00 0.00 H new ATOM 85 N CYS A 6 4.644 1.444 -0.504 1.00 0.00 N ATOM 86 CA CYS A 6 3.664 1.921 0.463 1.00 0.00 C ATOM 87 C CYS A 6 2.318 2.252 -0.187 1.00 0.00 C ATOM 88 O CYS A 6 1.308 2.249 0.515 1.00 0.00 O ATOM 89 CB CYS A 6 4.221 3.098 1.274 1.00 0.00 C ATOM 90 SG CYS A 6 4.839 4.523 0.344 1.00 0.00 S ATOM 0 H CYS A 6 5.299 2.161 -0.816 1.00 0.00 H new ATOM 0 HA CYS A 6 3.469 1.105 1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.437 3.447 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.032 2.724 1.899 1.00 0.00 H new ATOM 95 N ARG A 7 2.286 2.519 -1.503 1.00 0.00 N ATOM 96 CA ARG A 7 1.051 2.751 -2.254 1.00 0.00 C ATOM 97 C ARG A 7 0.239 3.879 -1.612 1.00 0.00 C ATOM 98 O ARG A 7 -0.974 3.776 -1.437 1.00 0.00 O ATOM 99 CB ARG A 7 0.285 1.426 -2.411 1.00 0.00 C ATOM 100 CG ARG A 7 0.956 0.567 -3.492 1.00 0.00 C ATOM 101 CD ARG A 7 0.666 -0.921 -3.289 1.00 0.00 C ATOM 102 NE ARG A 7 1.451 -1.447 -2.164 1.00 0.00 N ATOM 103 CZ ARG A 7 1.374 -2.691 -1.668 1.00 0.00 C ATOM 104 NH1 ARG A 7 0.486 -3.572 -2.150 1.00 0.00 N ATOM 105 NH2 ARG A 7 2.206 -3.045 -0.681 1.00 0.00 N ATOM 0 H ARG A 7 3.127 2.579 -2.077 1.00 0.00 H new ATOM 0 HA ARG A 7 1.276 3.095 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.270 0.889 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.752 1.624 -2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.602 0.876 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.033 0.734 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.397 -1.068 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.907 -1.472 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 7 2.113 -0.810 -1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.144 -3.300 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.440 -4.514 -1.762 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.883 -2.373 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.163 -3.986 -0.291 1.00 0.00 H new ATOM 119 N LYS A 8 0.939 4.973 -1.295 1.00 0.00 N ATOM 120 CA LYS A 8 0.432 6.066 -0.489 1.00 0.00 C ATOM 121 C LYS A 8 1.296 7.293 -0.771 1.00 0.00 C ATOM 122 O LYS A 8 2.446 7.351 -0.340 1.00 0.00 O ATOM 123 CB LYS A 8 0.500 5.664 0.990 1.00 0.00 C ATOM 124 CG LYS A 8 -0.020 6.771 1.922 1.00 0.00 C ATOM 125 CD LYS A 8 0.585 6.670 3.328 1.00 0.00 C ATOM 126 CE LYS A 8 1.886 7.477 3.477 1.00 0.00 C ATOM 127 NZ LYS A 8 2.956 7.026 2.571 1.00 0.00 N ATOM 0 H LYS A 8 1.900 5.118 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.606 6.296 -0.730 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.085 4.758 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.531 5.426 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.217 7.745 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.106 6.708 1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.143 7.025 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.784 5.623 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.677 8.530 3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.236 7.403 4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.868 7.408 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.996 5.987 2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.761 7.365 1.607 1.00 0.00 H new ATOM 141 N LYS A 9 0.725 8.276 -1.475 1.00 0.00 N ATOM 142 CA LYS A 9 1.327 9.589 -1.636 1.00 0.00 C ATOM 143 C LYS A 9 1.279 10.306 -0.283 1.00 0.00 C ATOM 144 O LYS A 9 0.252 10.274 0.393 1.00 0.00 O ATOM 145 CB LYS A 9 0.535 10.366 -2.698 1.00 0.00 C ATOM 146 CG LYS A 9 1.202 11.702 -3.039 1.00 0.00 C ATOM 147 CD LYS A 9 0.267 12.579 -3.880 1.00 0.00 C ATOM 148 CE LYS A 9 0.949 13.871 -4.350 1.00 0.00 C ATOM 149 NZ LYS A 9 1.525 14.648 -3.236 1.00 0.00 N ATOM 0 H LYS A 9 -0.173 8.175 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 9 2.364 9.513 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.448 9.762 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.477 10.547 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.470 12.225 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.128 11.522 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.075 12.015 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.617 12.830 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.737 13.623 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.224 14.488 -4.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.088 15.436 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.758 15.025 -2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.136 14.032 -2.662 1.00 0.00 H new ATOM 163 N GLY A 10 2.384 10.943 0.118 1.00 0.00 N ATOM 164 CA GLY A 10 2.423 11.733 1.337 1.00 0.00 C ATOM 165 C GLY A 10 3.810 12.331 1.537 1.00 0.00 C ATOM 166 O GLY A 10 3.971 13.549 1.504 1.00 0.00 O ATOM 0 H GLY A 10 3.266 10.922 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.680 12.529 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.162 11.108 2.191 1.00 0.00 H new ATOM 170 N GLU A 11 4.807 11.463 1.734 1.00 0.00 N ATOM 171 CA GLU A 11 6.210 11.835 1.864 1.00 0.00 C ATOM 172 C GLU A 11 6.900 11.886 0.497 1.00 0.00 C ATOM 173 O GLU A 11 8.087 11.580 0.388 1.00 0.00 O ATOM 174 CB GLU A 11 6.927 10.904 2.863 1.00 0.00 C ATOM 175 CG GLU A 11 7.091 9.432 2.439 1.00 0.00 C ATOM 176 CD GLU A 11 5.783 8.650 2.418 1.00 0.00 C ATOM 177 OE1 GLU A 11 5.090 8.703 1.378 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.470 8.013 3.448 1.00 0.00 O ATOM 0 H GLU A 11 4.652 10.458 1.809 1.00 0.00 H new ATOM 0 HA GLU A 11 6.268 12.844 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.918 11.314 3.060 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.379 10.928 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.541 9.397 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.786 8.942 3.121 1.00 0.00 H new ATOM 185 N ASP A 12 6.168 12.291 -0.551 1.00 0.00 N ATOM 186 CA ASP A 12 6.609 12.193 -1.933 1.00 0.00 C ATOM 187 C ASP A 12 7.423 13.424 -2.337 1.00 0.00 C ATOM 188 O ASP A 12 7.138 14.089 -3.331 1.00 0.00 O ATOM 189 CB ASP A 12 5.413 11.902 -2.847 1.00 0.00 C ATOM 190 CG ASP A 12 4.371 13.010 -2.911 1.00 0.00 C ATOM 191 OD1 ASP A 12 3.798 13.343 -1.850 1.00 0.00 O ATOM 192 OD2 ASP A 12 4.107 13.466 -4.045 1.00 0.00 O ATOM 0 H ASP A 12 5.239 12.701 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 12 7.291 11.350 -2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.782 11.712 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.929 10.987 -2.507 1.00 0.00 H new ATOM 197 N ASP A 13 8.470 13.687 -1.551 1.00 0.00 N ATOM 198 CA ASP A 13 9.480 14.702 -1.787 1.00 0.00 C ATOM 199 C ASP A 13 10.295 14.364 -3.036 1.00 0.00 C ATOM 200 O ASP A 13 10.367 15.158 -3.972 1.00 0.00 O ATOM 201 CB ASP A 13 10.353 14.785 -0.531 1.00 0.00 C ATOM 202 CG ASP A 13 11.549 15.714 -0.704 1.00 0.00 C ATOM 203 OD1 ASP A 13 11.337 16.854 -1.167 1.00 0.00 O ATOM 204 OD2 ASP A 13 12.663 15.254 -0.380 1.00 0.00 O ATOM 0 H ASP A 13 8.638 13.166 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 13 9.023 15.674 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.746 15.133 0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.708 13.787 -0.274 1.00 0.00 H new ATOM 209 N LYS A 14 10.911 13.179 -3.031 1.00 0.00 N ATOM 210 CA LYS A 14 11.859 12.724 -4.036 1.00 0.00 C ATOM 211 C LYS A 14 11.718 11.206 -4.180 1.00 0.00 C ATOM 212 O LYS A 14 12.371 10.447 -3.466 1.00 0.00 O ATOM 213 CB LYS A 14 13.292 13.126 -3.649 1.00 0.00 C ATOM 214 CG LYS A 14 13.556 14.629 -3.828 1.00 0.00 C ATOM 215 CD LYS A 14 15.050 14.978 -3.747 1.00 0.00 C ATOM 216 CE LYS A 14 15.669 14.829 -2.350 1.00 0.00 C ATOM 217 NZ LYS A 14 15.153 15.828 -1.398 1.00 0.00 N ATOM 0 H LYS A 14 10.753 12.489 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 14 11.646 13.196 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.474 12.851 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.000 12.562 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.163 14.951 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.015 15.183 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.596 14.340 -4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.188 16.006 -4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.464 13.828 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.752 14.926 -2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.637 15.719 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.326 16.784 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.131 15.687 -1.267 1.00 0.00 H new ATOM 231 N LEU A 15 10.861 10.769 -5.111 1.00 0.00 N ATOM 232 CA LEU A 15 10.775 9.373 -5.523 1.00 0.00 C ATOM 233 C LEU A 15 12.038 9.004 -6.305 1.00 0.00 C ATOM 234 O LEU A 15 12.353 9.628 -7.317 1.00 0.00 O ATOM 235 CB LEU A 15 9.521 9.114 -6.375 1.00 0.00 C ATOM 236 CG LEU A 15 8.208 8.926 -5.592 1.00 0.00 C ATOM 237 CD1 LEU A 15 8.166 7.580 -4.858 1.00 0.00 C ATOM 238 CD2 LEU A 15 7.928 10.055 -4.600 1.00 0.00 C ATOM 0 H LEU A 15 10.207 11.381 -5.599 1.00 0.00 H new ATOM 0 HA LEU A 15 10.697 8.749 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.395 9.948 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.693 8.223 -6.980 1.00 0.00 H new ATOM 0 HG LEU A 15 7.424 8.947 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.223 7.489 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.251 6.769 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.994 7.525 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.989 9.860 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.738 10.110 -3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.857 11.001 -5.136 1.00 0.00 H new ATOM 250 N ILE A 16 12.753 7.991 -5.809 1.00 0.00 N ATOM 251 CA ILE A 16 13.888 7.355 -6.457 1.00 0.00 C ATOM 252 C ILE A 16 13.386 6.115 -7.200 1.00 0.00 C ATOM 253 O ILE A 16 13.173 5.058 -6.608 1.00 0.00 O ATOM 254 CB ILE A 16 14.993 7.071 -5.417 1.00 0.00 C ATOM 255 CG1 ILE A 16 16.129 6.236 -6.033 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.465 6.416 -4.129 1.00 0.00 C ATOM 257 CD1 ILE A 16 17.450 6.420 -5.276 1.00 0.00 C ATOM 0 H ILE A 16 12.541 7.577 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 16 14.348 8.007 -7.199 1.00 0.00 H new ATOM 0 HB ILE A 16 15.390 8.043 -5.124 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.850 5.182 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 16 16.265 6.522 -7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 16 15.294 6.244 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.735 7.075 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.992 5.465 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 16 18.225 5.813 -5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.743 7.469 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 16 17.322 6.109 -4.239 1.00 0.00 H new ATOM 269 N LEU A 17 13.173 6.253 -8.514 1.00 0.00 N ATOM 270 CA LEU A 17 12.767 5.145 -9.363 1.00 0.00 C ATOM 271 C LEU A 17 13.933 4.165 -9.508 1.00 0.00 C ATOM 272 O LEU A 17 15.078 4.580 -9.683 1.00 0.00 O ATOM 273 CB LEU A 17 12.321 5.665 -10.737 1.00 0.00 C ATOM 274 CG LEU A 17 10.863 6.157 -10.766 1.00 0.00 C ATOM 275 CD1 LEU A 17 10.603 7.315 -9.796 1.00 0.00 C ATOM 276 CD2 LEU A 17 10.513 6.597 -12.191 1.00 0.00 C ATOM 0 H LEU A 17 13.279 7.138 -9.011 1.00 0.00 H new ATOM 0 HA LEU A 17 11.923 4.628 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.977 6.482 -11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.442 4.871 -11.474 1.00 0.00 H new ATOM 0 HG LEU A 17 10.233 5.327 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.558 7.618 -9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.824 6.994 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.242 8.159 -10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.481 6.947 -12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.179 7.404 -12.497 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.629 5.753 -12.871 1.00 0.00 H new ATOM 288 N CYS A 18 13.635 2.862 -9.438 1.00 0.00 N ATOM 289 CA CYS A 18 14.590 1.818 -9.772 1.00 0.00 C ATOM 290 C CYS A 18 14.837 1.837 -11.277 1.00 0.00 C ATOM 291 O CYS A 18 13.937 1.516 -12.050 1.00 0.00 O ATOM 292 CB CYS A 18 14.060 0.455 -9.319 1.00 0.00 C ATOM 293 SG CYS A 18 15.066 -0.950 -9.855 1.00 0.00 S ATOM 0 H CYS A 18 12.723 2.510 -9.147 1.00 0.00 H new ATOM 0 HA CYS A 18 15.533 1.997 -9.255 1.00 0.00 H new ATOM 0 HB2 CYS A 18 13.995 0.447 -8.231 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.047 0.327 -9.699 1.00 0.00 H new ATOM 298 N ASP A 19 16.057 2.206 -11.683 1.00 0.00 N ATOM 299 CA ASP A 19 16.451 2.321 -13.080 1.00 0.00 C ATOM 300 C ASP A 19 16.207 1.011 -13.834 1.00 0.00 C ATOM 301 O ASP A 19 15.638 1.016 -14.923 1.00 0.00 O ATOM 302 CB ASP A 19 17.925 2.735 -13.148 1.00 0.00 C ATOM 303 CG ASP A 19 18.391 2.904 -14.590 1.00 0.00 C ATOM 304 OD1 ASP A 19 18.140 3.995 -15.145 1.00 0.00 O ATOM 305 OD2 ASP A 19 18.986 1.936 -15.113 1.00 0.00 O ATOM 0 H ASP A 19 16.808 2.436 -11.032 1.00 0.00 H new ATOM 0 HA ASP A 19 15.841 3.083 -13.565 1.00 0.00 H new ATOM 0 HB2 ASP A 19 18.067 3.670 -12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.539 1.983 -12.652 1.00 0.00 H new ATOM 310 N GLU A 20 16.621 -0.103 -13.222 1.00 0.00 N ATOM 311 CA GLU A 20 16.681 -1.415 -13.841 1.00 0.00 C ATOM 312 C GLU A 20 15.290 -1.885 -14.277 1.00 0.00 C ATOM 313 O GLU A 20 15.066 -2.102 -15.466 1.00 0.00 O ATOM 314 CB GLU A 20 17.326 -2.399 -12.858 1.00 0.00 C ATOM 315 CG GLU A 20 18.792 -2.045 -12.580 1.00 0.00 C ATOM 316 CD GLU A 20 19.387 -2.965 -11.519 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.653 -4.137 -11.863 1.00 0.00 O ATOM 318 OE2 GLU A 20 19.554 -2.483 -10.378 1.00 0.00 O ATOM 0 H GLU A 20 16.932 -0.108 -12.251 1.00 0.00 H new ATOM 0 HA GLU A 20 17.290 -1.363 -14.743 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.767 -2.397 -11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.266 -3.409 -13.263 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.370 -2.125 -13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.863 -1.009 -12.249 1.00 0.00 H new ATOM 325 N CYS A 21 14.368 -2.053 -13.317 1.00 0.00 N ATOM 326 CA CYS A 21 13.073 -2.691 -13.537 1.00 0.00 C ATOM 327 C CYS A 21 11.889 -1.738 -13.309 1.00 0.00 C ATOM 328 O CYS A 21 10.756 -2.207 -13.195 1.00 0.00 O ATOM 329 CB CYS A 21 12.973 -3.985 -12.718 1.00 0.00 C ATOM 330 SG CYS A 21 13.069 -3.816 -10.918 1.00 0.00 S ATOM 0 H CYS A 21 14.508 -1.743 -12.355 1.00 0.00 H new ATOM 0 HA CYS A 21 13.008 -2.962 -14.591 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.029 -4.472 -12.964 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.771 -4.654 -13.040 1.00 0.00 H new ATOM 335 N ASN A 22 12.141 -0.419 -13.257 1.00 0.00 N ATOM 336 CA ASN A 22 11.131 0.638 -13.285 1.00 0.00 C ATOM 337 C ASN A 22 10.064 0.467 -12.203 1.00 0.00 C ATOM 338 O ASN A 22 8.935 0.072 -12.492 1.00 0.00 O ATOM 339 CB ASN A 22 10.533 0.743 -14.697 1.00 0.00 C ATOM 340 CG ASN A 22 9.594 1.940 -14.862 1.00 0.00 C ATOM 341 OD1 ASN A 22 9.546 2.834 -14.020 1.00 0.00 O ATOM 342 ND2 ASN A 22 8.840 1.959 -15.961 1.00 0.00 N ATOM 0 H ASN A 22 13.091 -0.052 -13.192 1.00 0.00 H new ATOM 0 HA ASN A 22 11.620 1.583 -13.048 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.342 0.820 -15.423 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.988 -0.173 -14.924 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.196 2.733 -16.125 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.907 1.199 -16.638 1.00 0.00 H new ATOM 349 N LYS A 23 10.421 0.786 -10.954 1.00 0.00 N ATOM 350 CA LYS A 23 9.529 0.768 -9.816 1.00 0.00 C ATOM 351 C LYS A 23 9.747 2.043 -9.002 1.00 0.00 C ATOM 352 O LYS A 23 10.875 2.332 -8.607 1.00 0.00 O ATOM 353 CB LYS A 23 9.844 -0.476 -8.984 1.00 0.00 C ATOM 354 CG LYS A 23 9.431 -1.753 -9.727 1.00 0.00 C ATOM 355 CD LYS A 23 9.708 -3.004 -8.885 1.00 0.00 C ATOM 356 CE LYS A 23 9.198 -4.271 -9.584 1.00 0.00 C ATOM 357 NZ LYS A 23 9.826 -4.483 -10.901 1.00 0.00 N ATOM 0 H LYS A 23 11.370 1.071 -10.712 1.00 0.00 H new ATOM 0 HA LYS A 23 8.486 0.732 -10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.911 -0.509 -8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.321 -0.421 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.370 -1.706 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.974 -1.819 -10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.779 -3.093 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.227 -2.904 -7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.393 -5.135 -8.949 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.117 -4.203 -9.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.708 -5.476 -11.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.374 -3.865 -11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.840 -4.257 -10.843 1.00 0.00 H new ATOM 371 N ALA A 24 8.667 2.791 -8.747 1.00 0.00 N ATOM 372 CA ALA A 24 8.675 3.964 -7.884 1.00 0.00 C ATOM 373 C ALA A 24 8.871 3.541 -6.426 1.00 0.00 C ATOM 374 O ALA A 24 7.983 2.933 -5.832 1.00 0.00 O ATOM 375 CB ALA A 24 7.367 4.742 -8.069 1.00 0.00 C ATOM 0 H ALA A 24 7.750 2.589 -9.145 1.00 0.00 H new ATOM 0 HA ALA A 24 9.505 4.616 -8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.372 5.620 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.274 5.056 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.524 4.103 -7.807 1.00 0.00 H new ATOM 381 N PHE A 25 10.043 3.864 -5.868 1.00 0.00 N ATOM 382 CA PHE A 25 10.361 3.746 -4.452 1.00 0.00 C ATOM 383 C PHE A 25 10.669 5.130 -3.887 1.00 0.00 C ATOM 384 O PHE A 25 11.239 5.964 -4.586 1.00 0.00 O ATOM 385 CB PHE A 25 11.600 2.854 -4.281 1.00 0.00 C ATOM 386 CG PHE A 25 11.318 1.365 -4.209 1.00 0.00 C ATOM 387 CD1 PHE A 25 10.932 0.656 -5.362 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.520 0.671 -3.001 1.00 0.00 C ATOM 389 CE1 PHE A 25 10.732 -0.734 -5.301 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.372 -0.725 -2.956 1.00 0.00 C ATOM 391 CZ PHE A 25 10.951 -1.426 -4.098 1.00 0.00 C ATOM 0 H PHE A 25 10.822 4.228 -6.417 1.00 0.00 H new ATOM 0 HA PHE A 25 9.513 3.309 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.279 3.039 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.121 3.153 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.789 1.181 -6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.789 1.213 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.409 -1.271 -6.181 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.582 -1.260 -2.042 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.796 -2.494 -4.052 1.00 0.00 H new ATOM 401 N HIS A 26 10.283 5.387 -2.633 1.00 0.00 N ATOM 402 CA HIS A 26 10.750 6.567 -1.920 1.00 0.00 C ATOM 403 C HIS A 26 12.164 6.283 -1.415 1.00 0.00 C ATOM 404 O HIS A 26 12.568 5.128 -1.282 1.00 0.00 O ATOM 405 CB HIS A 26 9.859 6.905 -0.722 1.00 0.00 C ATOM 406 CG HIS A 26 8.470 7.378 -1.054 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.318 6.592 -1.021 1.00 0.00 N ATOM 408 CD2 HIS A 26 8.128 8.680 -1.281 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.304 7.448 -1.224 1.00 0.00 C ATOM 410 NE2 HIS A 26 6.757 8.703 -1.388 1.00 0.00 N ATOM 0 H HIS A 26 9.650 4.792 -2.097 1.00 0.00 H new ATOM 0 HA HIS A 26 10.725 7.416 -2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.780 6.020 -0.090 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.354 7.676 -0.131 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.799 9.522 -1.361 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.262 7.166 -1.252 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.184 9.529 -1.562 1.00 0.00 H new ATOM 418 N LEU A 27 12.900 7.351 -1.098 1.00 0.00 N ATOM 419 CA LEU A 27 14.174 7.271 -0.403 1.00 0.00 C ATOM 420 C LEU A 27 14.001 6.498 0.907 1.00 0.00 C ATOM 421 O LEU A 27 14.735 5.545 1.162 1.00 0.00 O ATOM 422 CB LEU A 27 14.698 8.691 -0.168 1.00 0.00 C ATOM 423 CG LEU A 27 15.074 9.399 -1.481 1.00 0.00 C ATOM 424 CD1 LEU A 27 15.225 10.901 -1.232 1.00 0.00 C ATOM 425 CD2 LEU A 27 16.397 8.879 -2.052 1.00 0.00 C ATOM 0 H LEU A 27 12.619 8.305 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 27 14.906 6.731 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.939 9.275 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.571 8.651 0.483 1.00 0.00 H new ATOM 0 HG LEU A 27 14.276 9.197 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.491 11.399 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.283 11.305 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.008 11.070 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.625 9.405 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.197 9.050 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 27 16.312 7.811 -2.253 1.00 0.00 H new ATOM 437 N PHE A 28 12.982 6.876 1.689 1.00 0.00 N ATOM 438 CA PHE A 28 12.518 6.150 2.862 1.00 0.00 C ATOM 439 C PHE A 28 12.361 4.650 2.588 1.00 0.00 C ATOM 440 O PHE A 28 12.895 3.830 3.334 1.00 0.00 O ATOM 441 CB PHE A 28 11.192 6.749 3.347 1.00 0.00 C ATOM 442 CG PHE A 28 11.235 8.241 3.621 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.816 8.723 4.809 1.00 0.00 C ATOM 444 CD2 PHE A 28 10.685 9.151 2.696 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.813 10.101 5.085 1.00 0.00 C ATOM 446 CE2 PHE A 28 10.724 10.531 2.952 1.00 0.00 C ATOM 447 CZ PHE A 28 11.270 11.005 4.156 1.00 0.00 C ATOM 0 H PHE A 28 12.445 7.725 1.511 1.00 0.00 H new ATOM 0 HA PHE A 28 13.273 6.254 3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.424 6.552 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.888 6.234 4.258 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.264 8.033 5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 28 10.232 8.785 1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.229 10.466 6.013 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.335 11.227 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.273 12.064 4.368 1.00 0.00 H new ATOM 457 N CYS A 29 11.621 4.297 1.526 1.00 0.00 N ATOM 458 CA CYS A 29 11.234 2.921 1.235 1.00 0.00 C ATOM 459 C CYS A 29 12.448 2.069 0.857 1.00 0.00 C ATOM 460 O CYS A 29 12.456 0.876 1.156 1.00 0.00 O ATOM 461 CB CYS A 29 10.156 2.875 0.145 1.00 0.00 C ATOM 462 SG CYS A 29 8.597 3.698 0.574 1.00 0.00 S ATOM 0 H CYS A 29 11.274 4.970 0.843 1.00 0.00 H new ATOM 0 HA CYS A 29 10.808 2.494 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.555 3.334 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.946 1.832 -0.093 1.00 0.00 H new ATOM 467 N LEU A 30 13.466 2.656 0.206 1.00 0.00 N ATOM 468 CA LEU A 30 14.742 1.976 0.022 1.00 0.00 C ATOM 469 C LEU A 30 15.384 1.744 1.389 1.00 0.00 C ATOM 470 O LEU A 30 15.519 0.602 1.824 1.00 0.00 O ATOM 471 CB LEU A 30 15.699 2.767 -0.882 1.00 0.00 C ATOM 472 CG LEU A 30 15.271 2.926 -2.346 1.00 0.00 C ATOM 473 CD1 LEU A 30 16.407 3.632 -3.093 1.00 0.00 C ATOM 474 CD2 LEU A 30 15.000 1.590 -3.039 1.00 0.00 C ATOM 0 H LEU A 30 13.423 3.593 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 30 14.550 1.025 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.832 3.761 -0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.673 2.278 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 30 14.342 3.495 -2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.130 3.759 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.586 4.609 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.314 3.031 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.701 1.770 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.905 0.982 -3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.201 1.065 -2.516 1.00 0.00 H new ATOM 486 N ARG A 31 15.798 2.835 2.042 1.00 0.00 N ATOM 487 CA ARG A 31 16.522 2.820 3.304 1.00 0.00 C ATOM 488 C ARG A 31 16.160 4.097 4.072 1.00 0.00 C ATOM 489 O ARG A 31 16.327 5.186 3.528 1.00 0.00 O ATOM 490 CB ARG A 31 18.040 2.752 3.060 1.00 0.00 C ATOM 491 CG ARG A 31 18.471 1.503 2.277 1.00 0.00 C ATOM 492 CD ARG A 31 19.991 1.296 2.293 1.00 0.00 C ATOM 493 NE ARG A 31 20.735 2.458 1.788 1.00 0.00 N ATOM 494 CZ ARG A 31 20.922 2.779 0.495 1.00 0.00 C ATOM 495 NH1 ARG A 31 20.343 2.082 -0.492 1.00 0.00 N ATOM 496 NH2 ARG A 31 21.700 3.821 0.180 1.00 0.00 N ATOM 0 H ARG A 31 15.630 3.778 1.691 1.00 0.00 H new ATOM 0 HA ARG A 31 16.243 1.939 3.883 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.354 3.642 2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.557 2.768 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 31 17.983 0.626 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.130 1.589 1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.312 1.081 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 31 20.239 0.423 1.690 1.00 0.00 H new ATOM 0 HE ARG A 31 21.149 3.080 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.744 1.287 -0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.501 2.347 -1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 31 22.146 4.366 0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 31 21.847 4.071 -0.798 1.00 0.00 H new ATOM 510 N PRO A 32 15.701 3.990 5.331 1.00 0.00 N ATOM 511 CA PRO A 32 15.120 5.100 6.081 1.00 0.00 C ATOM 512 C PRO A 32 16.076 6.291 6.211 1.00 0.00 C ATOM 513 O PRO A 32 15.632 7.437 6.198 1.00 0.00 O ATOM 514 CB PRO A 32 14.763 4.519 7.452 1.00 0.00 C ATOM 515 CG PRO A 32 15.798 3.411 7.642 1.00 0.00 C ATOM 516 CD PRO A 32 15.979 2.874 6.222 1.00 0.00 C ATOM 0 HA PRO A 32 14.248 5.501 5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.830 5.271 8.238 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.746 4.128 7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 32 16.732 3.795 8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.444 2.639 8.325 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.992 2.499 6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.300 2.043 6.030 1.00 0.00 H new ATOM 524 N ALA A 33 17.384 6.019 6.322 1.00 0.00 N ATOM 525 CA ALA A 33 18.423 7.026 6.480 1.00 0.00 C ATOM 526 C ALA A 33 18.562 7.945 5.262 1.00 0.00 C ATOM 527 O ALA A 33 19.097 9.045 5.396 1.00 0.00 O ATOM 528 CB ALA A 33 19.752 6.327 6.777 1.00 0.00 C ATOM 0 H ALA A 33 17.749 5.067 6.303 1.00 0.00 H new ATOM 0 HA ALA A 33 18.136 7.669 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.537 7.074 6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.660 5.746 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.006 5.663 5.951 1.00 0.00 H new ATOM 534 N LEU A 34 18.111 7.510 4.077 1.00 0.00 N ATOM 535 CA LEU A 34 18.046 8.375 2.909 1.00 0.00 C ATOM 536 C LEU A 34 16.919 9.394 3.086 1.00 0.00 C ATOM 537 O LEU A 34 15.745 9.026 3.126 1.00 0.00 O ATOM 538 CB LEU A 34 17.829 7.556 1.631 1.00 0.00 C ATOM 539 CG LEU A 34 18.923 6.527 1.318 1.00 0.00 C ATOM 540 CD1 LEU A 34 18.491 5.742 0.075 1.00 0.00 C ATOM 541 CD2 LEU A 34 20.283 7.195 1.078 1.00 0.00 C ATOM 0 H LEU A 34 17.786 6.558 3.910 1.00 0.00 H new ATOM 0 HA LEU A 34 18.995 8.902 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.875 7.035 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.747 8.243 0.789 1.00 0.00 H new ATOM 0 HG LEU A 34 19.044 5.862 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.252 5.002 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.545 5.238 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.368 6.427 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.030 6.432 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.208 7.881 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.579 7.748 1.969 1.00 0.00 H new ATOM 553 N TYR A 35 17.298 10.673 3.187 1.00 0.00 N ATOM 554 CA TYR A 35 16.401 11.823 3.147 1.00 0.00 C ATOM 555 C TYR A 35 16.632 12.602 1.853 1.00 0.00 C ATOM 556 O TYR A 35 15.679 13.031 1.205 1.00 0.00 O ATOM 557 CB TYR A 35 16.628 12.687 4.393 1.00 0.00 C ATOM 558 CG TYR A 35 16.510 11.903 5.687 1.00 0.00 C ATOM 559 CD1 TYR A 35 15.287 11.291 6.019 1.00 0.00 C ATOM 560 CD2 TYR A 35 17.652 11.644 6.468 1.00 0.00 C ATOM 561 CE1 TYR A 35 15.210 10.412 7.112 1.00 0.00 C ATOM 562 CE2 TYR A 35 17.572 10.772 7.567 1.00 0.00 C ATOM 563 CZ TYR A 35 16.359 10.133 7.872 1.00 0.00 C ATOM 564 OH TYR A 35 16.302 9.233 8.895 1.00 0.00 O ATOM 0 H TYR A 35 18.275 10.941 3.303 1.00 0.00 H new ATOM 0 HA TYR A 35 15.360 11.498 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 35 17.618 13.141 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 35 15.904 13.502 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.405 11.498 5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.592 12.116 6.222 1.00 0.00 H new ATOM 0 HE1 TYR A 35 14.268 9.951 7.368 1.00 0.00 H new ATOM 0 HE2 TYR A 35 18.444 10.593 8.178 1.00 0.00 H new ATOM 0 HH TYR A 35 17.184 9.158 9.315 1.00 0.00 H new ATOM 574 N GLU A 36 17.909 12.764 1.483 1.00 0.00 N ATOM 575 CA GLU A 36 18.349 13.269 0.192 1.00 0.00 C ATOM 576 C GLU A 36 18.827 12.102 -0.675 1.00 0.00 C ATOM 577 O GLU A 36 18.991 10.982 -0.190 1.00 0.00 O ATOM 578 CB GLU A 36 19.464 14.307 0.391 1.00 0.00 C ATOM 579 CG GLU A 36 18.975 15.546 1.152 1.00 0.00 C ATOM 580 CD GLU A 36 17.833 16.242 0.418 1.00 0.00 C ATOM 581 OE1 GLU A 36 18.097 16.769 -0.684 1.00 0.00 O ATOM 582 OE2 GLU A 36 16.701 16.200 0.944 1.00 0.00 O ATOM 0 H GLU A 36 18.686 12.536 2.103 1.00 0.00 H new ATOM 0 HA GLU A 36 17.519 13.759 -0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.290 13.850 0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 36 19.853 14.610 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.643 15.254 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.803 16.243 1.283 1.00 0.00 H new ATOM 589 N VAL A 37 19.032 12.370 -1.970 1.00 0.00 N ATOM 590 CA VAL A 37 19.281 11.342 -2.971 1.00 0.00 C ATOM 591 C VAL A 37 20.661 10.702 -2.752 1.00 0.00 C ATOM 592 O VAL A 37 21.600 11.407 -2.383 1.00 0.00 O ATOM 593 CB VAL A 37 19.115 11.944 -4.380 1.00 0.00 C ATOM 594 CG1 VAL A 37 20.207 12.965 -4.727 1.00 0.00 C ATOM 595 CG2 VAL A 37 19.075 10.854 -5.458 1.00 0.00 C ATOM 0 H VAL A 37 19.028 13.317 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 37 18.550 10.539 -2.871 1.00 0.00 H new ATOM 0 HB VAL A 37 18.160 12.469 -4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 37 20.036 13.353 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 37 20.178 13.786 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 21.183 12.482 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.957 11.316 -6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 37 20.004 10.285 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.235 10.186 -5.269 1.00 0.00 H new ATOM 605 N PRO A 38 20.806 9.380 -2.952 1.00 0.00 N ATOM 606 CA PRO A 38 22.107 8.733 -2.990 1.00 0.00 C ATOM 607 C PRO A 38 22.717 8.947 -4.372 1.00 0.00 C ATOM 608 O PRO A 38 22.188 8.451 -5.365 1.00 0.00 O ATOM 609 CB PRO A 38 21.847 7.249 -2.705 1.00 0.00 C ATOM 610 CG PRO A 38 20.413 7.040 -3.181 1.00 0.00 C ATOM 611 CD PRO A 38 19.751 8.382 -2.873 1.00 0.00 C ATOM 0 HA PRO A 38 22.808 9.136 -2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.546 6.609 -3.243 1.00 0.00 H new ATOM 0 HB3 PRO A 38 21.955 7.019 -1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.371 6.804 -4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.928 6.220 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.956 8.598 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.296 8.374 -1.883 1.00 0.00 H new ATOM 619 N ASP A 39 23.829 9.687 -4.439 1.00 0.00 N ATOM 620 CA ASP A 39 24.634 9.795 -5.646 1.00 0.00 C ATOM 621 C ASP A 39 25.474 8.522 -5.803 1.00 0.00 C ATOM 622 O ASP A 39 26.690 8.537 -5.616 1.00 0.00 O ATOM 623 CB ASP A 39 25.487 11.071 -5.579 1.00 0.00 C ATOM 624 CG ASP A 39 26.318 11.291 -6.842 1.00 0.00 C ATOM 625 OD1 ASP A 39 25.808 10.959 -7.936 1.00 0.00 O ATOM 626 OD2 ASP A 39 27.449 11.803 -6.695 1.00 0.00 O ATOM 0 H ASP A 39 24.191 10.226 -3.653 1.00 0.00 H new ATOM 0 HA ASP A 39 24.003 9.880 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.836 11.931 -5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.152 11.014 -4.717 1.00 0.00 H new ATOM 631 N GLY A 40 24.806 7.409 -6.121 1.00 0.00 N ATOM 632 CA GLY A 40 25.419 6.094 -6.164 1.00 0.00 C ATOM 633 C GLY A 40 24.452 5.093 -6.785 1.00 0.00 C ATOM 634 O GLY A 40 24.410 4.963 -8.007 1.00 0.00 O ATOM 0 H GLY A 40 23.814 7.404 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 40 26.341 6.131 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.689 5.776 -5.157 1.00 0.00 H new ATOM 638 N GLU A 41 23.694 4.377 -5.947 1.00 0.00 N ATOM 639 CA GLU A 41 22.849 3.271 -6.374 1.00 0.00 C ATOM 640 C GLU A 41 21.419 3.763 -6.607 1.00 0.00 C ATOM 641 O GLU A 41 20.903 4.567 -5.831 1.00 0.00 O ATOM 642 CB GLU A 41 22.943 2.102 -5.376 1.00 0.00 C ATOM 643 CG GLU A 41 22.062 2.188 -4.120 1.00 0.00 C ATOM 644 CD GLU A 41 22.300 3.412 -3.239 1.00 0.00 C ATOM 645 OE1 GLU A 41 23.451 3.898 -3.202 1.00 0.00 O ATOM 646 OE2 GLU A 41 21.322 3.816 -2.573 1.00 0.00 O ATOM 0 H GLU A 41 23.654 4.556 -4.944 1.00 0.00 H new ATOM 0 HA GLU A 41 23.203 2.881 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.691 1.183 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 41 23.981 2.011 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.017 2.180 -4.428 1.00 0.00 H new ATOM 0 HG3 GLU A 41 22.224 1.292 -3.521 1.00 0.00 H new ATOM 653 N TRP A 42 20.797 3.293 -7.694 1.00 0.00 N ATOM 654 CA TRP A 42 19.515 3.782 -8.186 1.00 0.00 C ATOM 655 C TRP A 42 18.659 2.576 -8.567 1.00 0.00 C ATOM 656 O TRP A 42 18.275 2.405 -9.723 1.00 0.00 O ATOM 657 CB TRP A 42 19.750 4.753 -9.351 1.00 0.00 C ATOM 658 CG TRP A 42 20.663 5.902 -9.034 1.00 0.00 C ATOM 659 CD1 TRP A 42 20.465 6.806 -8.050 1.00 0.00 C ATOM 660 CD2 TRP A 42 21.946 6.253 -9.640 1.00 0.00 C ATOM 661 NE1 TRP A 42 21.532 7.675 -7.993 1.00 0.00 N ATOM 662 CE2 TRP A 42 22.477 7.384 -8.953 1.00 0.00 C ATOM 663 CE3 TRP A 42 22.725 5.723 -10.692 1.00 0.00 C ATOM 664 CZ2 TRP A 42 23.712 7.959 -9.287 1.00 0.00 C ATOM 665 CZ3 TRP A 42 23.967 6.292 -11.037 1.00 0.00 C ATOM 666 CH2 TRP A 42 24.461 7.406 -10.336 1.00 0.00 C ATOM 0 H TRP A 42 21.185 2.543 -8.266 1.00 0.00 H new ATOM 0 HA TRP A 42 18.977 4.343 -7.422 1.00 0.00 H new ATOM 0 HB2 TRP A 42 20.166 4.197 -10.191 1.00 0.00 H new ATOM 0 HB3 TRP A 42 18.788 5.150 -9.676 1.00 0.00 H new ATOM 0 HD1 TRP A 42 19.600 6.842 -7.405 1.00 0.00 H new ATOM 0 HE1 TRP A 42 21.613 8.440 -7.323 1.00 0.00 H new ATOM 0 HE3 TRP A 42 22.363 4.867 -11.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 24.081 8.816 -8.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 24.544 5.869 -11.846 1.00 0.00 H new ATOM 0 HH2 TRP A 42 25.415 7.835 -10.605 1.00 0.00 H new ATOM 677 N GLN A 43 18.382 1.732 -7.566 1.00 0.00 N ATOM 678 CA GLN A 43 17.777 0.420 -7.730 1.00 0.00 C ATOM 679 C GLN A 43 16.878 0.096 -6.535 1.00 0.00 C ATOM 680 O GLN A 43 16.881 0.825 -5.545 1.00 0.00 O ATOM 681 CB GLN A 43 18.880 -0.630 -7.921 1.00 0.00 C ATOM 682 CG GLN A 43 19.783 -0.765 -6.684 1.00 0.00 C ATOM 683 CD GLN A 43 20.904 -1.797 -6.827 1.00 0.00 C ATOM 684 OE1 GLN A 43 21.755 -1.883 -5.945 1.00 0.00 O ATOM 685 NE2 GLN A 43 20.919 -2.596 -7.896 1.00 0.00 N ATOM 0 H GLN A 43 18.582 1.958 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 43 17.145 0.413 -8.618 1.00 0.00 H new ATOM 0 HB2 GLN A 43 18.424 -1.595 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 43 19.489 -0.360 -8.784 1.00 0.00 H new ATOM 0 HG2 GLN A 43 20.226 0.207 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 43 19.166 -1.034 -5.827 1.00 0.00 H new ATOM 0 HE21 GLN A 43 20.200 -2.502 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.650 -3.300 -7.996 1.00 0.00 H new ATOM 694 N CYS A 44 16.116 -1.003 -6.636 1.00 0.00 N ATOM 695 CA CYS A 44 15.261 -1.510 -5.568 1.00 0.00 C ATOM 696 C CYS A 44 15.976 -2.636 -4.802 1.00 0.00 C ATOM 697 O CYS A 44 16.967 -3.173 -5.300 1.00 0.00 O ATOM 698 CB CYS A 44 13.918 -1.967 -6.153 1.00 0.00 C ATOM 699 SG CYS A 44 13.961 -3.360 -7.304 1.00 0.00 S ATOM 0 H CYS A 44 16.081 -1.571 -7.482 1.00 0.00 H new ATOM 0 HA CYS A 44 15.056 -0.715 -4.851 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.259 -2.231 -5.326 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.464 -1.118 -6.664 1.00 0.00 H new ATOM 704 N PRO A 45 15.484 -3.024 -3.610 1.00 0.00 N ATOM 705 CA PRO A 45 16.028 -4.126 -2.826 1.00 0.00 C ATOM 706 C PRO A 45 16.100 -5.467 -3.562 1.00 0.00 C ATOM 707 O PRO A 45 16.923 -6.305 -3.204 1.00 0.00 O ATOM 708 CB PRO A 45 15.151 -4.227 -1.580 1.00 0.00 C ATOM 709 CG PRO A 45 14.730 -2.778 -1.362 1.00 0.00 C ATOM 710 CD PRO A 45 14.533 -2.283 -2.793 1.00 0.00 C ATOM 0 HA PRO A 45 17.071 -3.911 -2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.293 -4.881 -1.738 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.701 -4.624 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.814 -2.704 -0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.494 -2.207 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.511 -2.458 -3.129 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.712 -1.210 -2.863 1.00 0.00 H new ATOM 718 N ALA A 46 15.234 -5.686 -4.561 1.00 0.00 N ATOM 719 CA ALA A 46 15.137 -6.950 -5.270 1.00 0.00 C ATOM 720 C ALA A 46 16.315 -7.102 -6.231 1.00 0.00 C ATOM 721 O ALA A 46 16.862 -8.195 -6.362 1.00 0.00 O ATOM 722 CB ALA A 46 13.803 -7.026 -6.016 1.00 0.00 C ATOM 0 H ALA A 46 14.580 -4.979 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 46 15.176 -7.771 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.736 -7.976 -6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.982 -6.950 -5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.739 -6.206 -6.732 1.00 0.00 H new ATOM 728 N CYS A 47 16.700 -6.009 -6.903 1.00 0.00 N ATOM 729 CA CYS A 47 17.926 -5.961 -7.676 1.00 0.00 C ATOM 730 C CYS A 47 19.142 -6.053 -6.755 1.00 0.00 C ATOM 731 O CYS A 47 20.068 -6.821 -7.016 1.00 0.00 O ATOM 732 CB CYS A 47 17.991 -4.671 -8.491 1.00 0.00 C ATOM 733 SG CYS A 47 16.663 -4.395 -9.689 1.00 0.00 S ATOM 0 H CYS A 47 16.165 -5.141 -6.920 1.00 0.00 H new ATOM 0 HA CYS A 47 17.934 -6.812 -8.358 1.00 0.00 H new ATOM 0 HB2 CYS A 47 18.002 -3.831 -7.797 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.940 -4.655 -9.026 1.00 0.00 H new ATOM 738 N GLN A 48 19.136 -5.250 -5.687 1.00 0.00 N ATOM 739 CA GLN A 48 20.262 -5.084 -4.780 1.00 0.00 C ATOM 740 C GLN A 48 20.476 -6.361 -3.952 1.00 0.00 C ATOM 741 O GLN A 48 19.572 -7.192 -3.863 1.00 0.00 O ATOM 742 CB GLN A 48 19.955 -3.878 -3.885 1.00 0.00 C ATOM 743 CG GLN A 48 21.136 -3.407 -3.030 1.00 0.00 C ATOM 744 CD GLN A 48 20.837 -2.043 -2.413 1.00 0.00 C ATOM 745 OE1 GLN A 48 20.548 -1.940 -1.223 1.00 0.00 O ATOM 746 NE2 GLN A 48 20.892 -0.992 -3.232 1.00 0.00 N ATOM 0 H GLN A 48 18.326 -4.687 -5.428 1.00 0.00 H new ATOM 0 HA GLN A 48 21.185 -4.909 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.624 -3.051 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.124 -4.132 -3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 48 21.335 -4.134 -2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.035 -3.347 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.136 -1.123 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.690 -0.057 -2.877 1.00 0.00 H new ATOM 755 N PRO A 49 21.679 -6.559 -3.387 1.00 0.00 N ATOM 756 CA PRO A 49 21.904 -7.600 -2.390 1.00 0.00 C ATOM 757 C PRO A 49 21.185 -7.279 -1.072 1.00 0.00 C ATOM 758 O PRO A 49 21.817 -6.924 -0.077 1.00 0.00 O ATOM 759 CB PRO A 49 23.423 -7.711 -2.245 1.00 0.00 C ATOM 760 CG PRO A 49 23.892 -7.414 -3.665 1.00 0.00 C ATOM 761 CD PRO A 49 22.925 -6.314 -4.102 1.00 0.00 C ATOM 0 HA PRO A 49 21.486 -8.560 -2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 49 23.819 -6.995 -1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.731 -8.702 -1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 49 24.929 -7.078 -3.689 1.00 0.00 H new ATOM 0 HG3 PRO A 49 23.827 -8.292 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 49 23.323 -5.328 -3.863 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.767 -6.341 -5.180 1.00 0.00 H new ATOM 769 N ALA A 50 19.854 -7.405 -1.077 1.00 0.00 N ATOM 770 CA ALA A 50 18.969 -6.954 -0.015 1.00 0.00 C ATOM 771 C ALA A 50 17.610 -7.647 -0.161 1.00 0.00 C ATOM 772 O ALA A 50 17.428 -8.482 -1.048 1.00 0.00 O ATOM 773 CB ALA A 50 18.833 -5.428 -0.082 1.00 0.00 C ATOM 0 H ALA A 50 19.352 -7.840 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 50 19.380 -7.215 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.170 -5.087 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 50 19.814 -4.969 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 18.418 -5.142 -1.048 1.00 0.00 H new ATOM 779 N THR A 51 16.667 -7.310 0.727 1.00 0.00 N ATOM 780 CA THR A 51 15.332 -7.890 0.790 1.00 0.00 C ATOM 781 C THR A 51 14.301 -6.764 0.738 1.00 0.00 C ATOM 782 O THR A 51 14.407 -5.860 1.596 1.00 0.00 O ATOM 783 CB THR A 51 15.182 -8.705 2.084 1.00 0.00 C ATOM 784 OG1 THR A 51 15.505 -7.902 3.202 1.00 0.00 O ATOM 785 CG2 THR A 51 16.078 -9.947 2.078 1.00 0.00 C ATOM 786 OXT THR A 51 13.423 -6.828 -0.151 1.00 0.00 O ATOM 0 H THR A 51 16.824 -6.601 1.443 1.00 0.00 H new ATOM 0 HA THR A 51 15.173 -8.559 -0.056 1.00 0.00 H new ATOM 0 HB THR A 51 14.144 -9.032 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 51 15.381 -6.957 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 51 15.944 -10.497 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 51 15.808 -10.586 1.237 1.00 0.00 H new ATOM 0 HG23 THR A 51 17.120 -9.643 1.983 1.00 0.00 H new TER 794 THR A 51 HETATM 795 ZN ZN A 52 6.888 4.559 -0.707 1.00 0.00 ZN HETATM 796 ZN ZN A 53 14.726 -3.184 -9.459 1.00 0.00 ZN