USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 TYR OH : rot 166:sc= 1.11 USER MOD Set 1.2: A 30 GLN : amide:sc= -0.349 K(o=0.76,f=-4.1!) USER MOD Set 2.1: A 4 SER OG : rot -7:sc= 0.478 USER MOD Set 2.2: A 7 THR OG1 : rot -128:sc= 1.84 USER MOD Single : A 17 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.1) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0422 K(o=-0.042,f=-1.1!) USER MOD Single : A 31 GLN : amide:sc= 0.54 K(o=0.54,f=-0.054) USER MOD Single : A 35 LYS NZ :NH3+ -135:sc= 1.18 (180deg=0.863) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 8.689 9.526 11.617 1.00 0.00 N ATOM 2 CA PRO A 1 9.330 8.457 10.895 1.00 0.00 C ATOM 3 C PRO A 1 9.757 8.992 9.549 1.00 0.00 C ATOM 4 O PRO A 1 9.545 10.169 9.270 1.00 0.00 O ATOM 5 CB PRO A 1 8.351 7.318 10.740 1.00 0.00 C ATOM 6 CG PRO A 1 7.346 7.582 11.809 1.00 0.00 C ATOM 7 CD PRO A 1 7.381 9.075 12.100 1.00 0.00 C ATOM 0 H2 PRO A 1 8.577 10.339 11.012 1.00 0.00 H new ATOM 0 H3 PRO A 1 9.271 9.816 12.403 1.00 0.00 H new ATOM 0 HA PRO A 1 10.206 8.087 11.428 1.00 0.00 H new ATOM 0 HB2 PRO A 1 7.894 7.312 9.751 1.00 0.00 H new ATOM 0 HB3 PRO A 1 8.835 6.350 10.873 1.00 0.00 H new ATOM 0 HG2 PRO A 1 6.351 7.276 11.486 1.00 0.00 H new ATOM 0 HG3 PRO A 1 7.580 7.009 12.707 1.00 0.00 H new ATOM 0 HD2 PRO A 1 6.571 9.596 11.589 1.00 0.00 H new ATOM 0 HD3 PRO A 1 7.265 9.272 13.166 1.00 0.00 H new ATOM 17 N ARG A 2 10.347 8.163 8.723 1.00 0.00 N ATOM 18 CA ARG A 2 10.807 8.602 7.422 1.00 0.00 C ATOM 19 C ARG A 2 10.098 7.839 6.333 1.00 0.00 C ATOM 20 O ARG A 2 9.295 6.948 6.615 1.00 0.00 O ATOM 21 CB ARG A 2 12.326 8.437 7.278 1.00 0.00 C ATOM 22 CG ARG A 2 13.155 9.268 8.245 1.00 0.00 C ATOM 23 CD ARG A 2 12.800 10.742 8.163 1.00 0.00 C ATOM 24 NE ARG A 2 12.927 11.268 6.805 1.00 0.00 N ATOM 25 CZ ARG A 2 12.176 12.246 6.284 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.232 12.842 7.021 1.00 0.00 N ATOM 27 NH2 ARG A 2 12.371 12.627 5.024 1.00 0.00 N ATOM 0 H ARG A 2 10.522 7.179 8.926 1.00 0.00 H new ATOM 0 HA ARG A 2 10.574 9.663 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.577 7.386 7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.610 8.700 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.995 8.911 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 2 14.214 9.136 8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.778 10.887 8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 2 13.449 11.308 8.832 1.00 0.00 H new ATOM 0 HE ARG A 2 13.644 10.857 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.080 12.552 7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.664 13.586 6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 2 13.090 12.174 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.801 13.372 4.622 1.00 0.00 H new ATOM 41 N GLY A 3 10.387 8.169 5.108 1.00 0.00 N ATOM 42 CA GLY A 3 9.775 7.498 4.013 1.00 0.00 C ATOM 43 C GLY A 3 9.570 8.417 2.851 1.00 0.00 C ATOM 44 O GLY A 3 9.919 9.601 2.914 1.00 0.00 O ATOM 0 H GLY A 3 11.046 8.903 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.397 6.657 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.815 7.088 4.327 1.00 0.00 H new ATOM 48 N SER A 4 9.007 7.885 1.829 1.00 0.00 N ATOM 49 CA SER A 4 8.706 8.573 0.620 1.00 0.00 C ATOM 50 C SER A 4 7.190 8.338 0.345 1.00 0.00 C ATOM 51 O SER A 4 6.554 7.619 1.123 1.00 0.00 O ATOM 52 CB SER A 4 9.639 7.996 -0.466 1.00 0.00 C ATOM 53 OG SER A 4 9.530 6.586 -0.542 1.00 0.00 O ATOM 0 H SER A 4 8.727 6.904 1.809 1.00 0.00 H new ATOM 0 HA SER A 4 8.873 9.650 0.653 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.391 8.435 -1.432 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.670 8.272 -0.246 1.00 0.00 H new ATOM 0 HG SER A 4 8.967 6.261 0.192 1.00 0.00 H new ATOM 59 N PRO A 5 6.562 8.893 -0.725 1.00 0.00 N ATOM 60 CA PRO A 5 5.096 8.740 -0.948 1.00 0.00 C ATOM 61 C PRO A 5 4.686 7.353 -1.446 1.00 0.00 C ATOM 62 O PRO A 5 3.527 7.114 -1.750 1.00 0.00 O ATOM 63 CB PRO A 5 4.833 9.734 -2.048 1.00 0.00 C ATOM 64 CG PRO A 5 6.079 9.702 -2.822 1.00 0.00 C ATOM 65 CD PRO A 5 7.157 9.725 -1.796 1.00 0.00 C ATOM 0 HA PRO A 5 4.543 8.887 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.973 9.448 -2.654 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.628 10.729 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.139 8.806 -3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 5 6.151 10.558 -3.493 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.090 9.305 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.378 10.737 -1.455 1.00 0.00 H new ATOM 73 N ARG A 6 5.634 6.478 -1.557 1.00 0.00 N ATOM 74 CA ARG A 6 5.376 5.116 -2.036 1.00 0.00 C ATOM 75 C ARG A 6 5.444 4.117 -0.907 1.00 0.00 C ATOM 76 O ARG A 6 4.843 3.039 -0.970 1.00 0.00 O ATOM 77 CB ARG A 6 6.381 4.707 -3.118 1.00 0.00 C ATOM 78 CG ARG A 6 7.842 4.851 -2.712 1.00 0.00 C ATOM 79 CD ARG A 6 8.778 4.214 -3.723 1.00 0.00 C ATOM 80 NE ARG A 6 10.185 4.530 -3.433 1.00 0.00 N ATOM 81 CZ ARG A 6 11.213 3.665 -3.507 1.00 0.00 C ATOM 82 NH1 ARG A 6 10.999 2.349 -3.591 1.00 0.00 N ATOM 83 NH2 ARG A 6 12.460 4.122 -3.417 1.00 0.00 N ATOM 0 H ARG A 6 6.610 6.664 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 6 4.371 5.116 -2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.195 3.669 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.203 5.311 -4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.087 5.908 -2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.994 4.390 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.639 3.133 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.525 4.563 -4.724 1.00 0.00 H new ATOM 0 HE ARG A 6 10.400 5.487 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.045 1.987 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.789 1.706 -3.646 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.630 5.120 -3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.246 3.474 -3.472 1.00 0.00 H new ATOM 97 N THR A 7 6.142 4.509 0.120 1.00 0.00 N ATOM 98 CA THR A 7 6.490 3.694 1.240 1.00 0.00 C ATOM 99 C THR A 7 5.324 2.897 1.855 1.00 0.00 C ATOM 100 O THR A 7 5.449 1.705 2.017 1.00 0.00 O ATOM 101 CB THR A 7 7.171 4.570 2.274 1.00 0.00 C ATOM 102 OG1 THR A 7 8.212 5.285 1.614 1.00 0.00 O ATOM 103 CG2 THR A 7 7.793 3.746 3.339 1.00 0.00 C ATOM 0 H THR A 7 6.502 5.460 0.199 1.00 0.00 H new ATOM 0 HA THR A 7 7.166 2.920 0.876 1.00 0.00 H new ATOM 0 HB THR A 7 6.433 5.235 2.723 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.052 5.166 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.275 4.397 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.025 3.152 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.537 3.082 2.898 1.00 0.00 H new ATOM 111 N GLU A 8 4.196 3.535 2.134 1.00 0.00 N ATOM 112 CA GLU A 8 3.071 2.854 2.792 1.00 0.00 C ATOM 113 C GLU A 8 2.549 1.711 1.941 1.00 0.00 C ATOM 114 O GLU A 8 2.257 0.622 2.444 1.00 0.00 O ATOM 115 CB GLU A 8 1.925 3.810 3.072 1.00 0.00 C ATOM 116 CG GLU A 8 0.790 3.158 3.839 1.00 0.00 C ATOM 117 CD GLU A 8 -0.345 4.082 4.102 1.00 0.00 C ATOM 118 OE1 GLU A 8 -0.370 4.732 5.153 1.00 0.00 O ATOM 119 OE2 GLU A 8 -1.252 4.178 3.276 1.00 0.00 O ATOM 0 H GLU A 8 4.028 4.518 1.920 1.00 0.00 H new ATOM 0 HA GLU A 8 3.453 2.465 3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.299 4.662 3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.543 4.199 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.427 2.298 3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.171 2.781 4.788 1.00 0.00 H new ATOM 126 N TYR A 9 2.467 1.959 0.664 1.00 0.00 N ATOM 127 CA TYR A 9 1.964 1.029 -0.278 1.00 0.00 C ATOM 128 C TYR A 9 2.961 -0.112 -0.459 1.00 0.00 C ATOM 129 O TYR A 9 2.616 -1.292 -0.338 1.00 0.00 O ATOM 130 CB TYR A 9 1.728 1.794 -1.576 1.00 0.00 C ATOM 131 CG TYR A 9 1.572 0.950 -2.780 1.00 0.00 C ATOM 132 CD1 TYR A 9 0.373 0.375 -3.098 1.00 0.00 C ATOM 133 CD2 TYR A 9 2.656 0.727 -3.587 1.00 0.00 C ATOM 134 CE1 TYR A 9 0.251 -0.423 -4.209 1.00 0.00 C ATOM 135 CE2 TYR A 9 2.564 -0.059 -4.701 1.00 0.00 C ATOM 136 CZ TYR A 9 1.355 -0.639 -5.015 1.00 0.00 C ATOM 137 OH TYR A 9 1.253 -1.452 -6.122 1.00 0.00 O ATOM 0 H TYR A 9 2.760 2.843 0.249 1.00 0.00 H new ATOM 0 HA TYR A 9 1.029 0.579 0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.833 2.406 -1.462 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.563 2.476 -1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.487 0.550 -2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.603 1.182 -3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.698 -0.878 -4.452 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.428 -0.223 -5.327 1.00 0.00 H new ATOM 0 HH TYR A 9 2.037 -1.323 -6.696 1.00 0.00 H new ATOM 147 N GLU A 10 4.183 0.268 -0.708 1.00 0.00 N ATOM 148 CA GLU A 10 5.283 -0.633 -0.940 1.00 0.00 C ATOM 149 C GLU A 10 5.525 -1.535 0.274 1.00 0.00 C ATOM 150 O GLU A 10 5.551 -2.764 0.151 1.00 0.00 O ATOM 151 CB GLU A 10 6.500 0.208 -1.249 1.00 0.00 C ATOM 152 CG GLU A 10 7.736 -0.553 -1.610 1.00 0.00 C ATOM 153 CD GLU A 10 8.826 0.383 -2.000 1.00 0.00 C ATOM 154 OE1 GLU A 10 8.886 0.770 -3.192 1.00 0.00 O ATOM 155 OE2 GLU A 10 9.641 0.763 -1.135 1.00 0.00 O ATOM 0 H GLU A 10 4.453 1.250 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 10 5.060 -1.295 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.256 0.880 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.719 0.831 -0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.056 -1.162 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.523 -1.236 -2.432 1.00 0.00 H new ATOM 162 N ALA A 11 5.639 -0.924 1.444 1.00 0.00 N ATOM 163 CA ALA A 11 5.884 -1.642 2.683 1.00 0.00 C ATOM 164 C ALA A 11 4.738 -2.572 3.007 1.00 0.00 C ATOM 165 O ALA A 11 4.946 -3.618 3.608 1.00 0.00 O ATOM 166 CB ALA A 11 6.116 -0.679 3.833 1.00 0.00 C ATOM 0 H ALA A 11 5.564 0.087 1.560 1.00 0.00 H new ATOM 0 HA ALA A 11 6.785 -2.239 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.297 -1.242 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.982 -0.053 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.236 -0.049 3.963 1.00 0.00 H new ATOM 172 N CYS A 12 3.539 -2.197 2.592 1.00 0.00 N ATOM 173 CA CYS A 12 2.357 -3.019 2.799 1.00 0.00 C ATOM 174 C CYS A 12 2.491 -4.316 2.010 1.00 0.00 C ATOM 175 O CYS A 12 2.253 -5.418 2.540 1.00 0.00 O ATOM 176 CB CYS A 12 1.107 -2.265 2.350 1.00 0.00 C ATOM 177 SG CYS A 12 -0.467 -3.114 2.674 1.00 0.00 S ATOM 0 H CYS A 12 3.358 -1.319 2.105 1.00 0.00 H new ATOM 0 HA CYS A 12 2.266 -3.250 3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.088 -1.296 2.849 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.184 -2.072 1.280 1.00 0.00 H new ATOM 182 N ARG A 13 2.927 -4.189 0.754 1.00 0.00 N ATOM 183 CA ARG A 13 3.097 -5.340 -0.111 1.00 0.00 C ATOM 184 C ARG A 13 4.200 -6.234 0.427 1.00 0.00 C ATOM 185 O ARG A 13 4.049 -7.451 0.464 1.00 0.00 O ATOM 186 CB ARG A 13 3.386 -4.927 -1.562 1.00 0.00 C ATOM 187 CG ARG A 13 2.294 -4.072 -2.194 1.00 0.00 C ATOM 188 CD ARG A 13 2.552 -3.816 -3.675 1.00 0.00 C ATOM 189 NE ARG A 13 2.501 -5.058 -4.463 1.00 0.00 N ATOM 190 CZ ARG A 13 2.299 -5.142 -5.785 1.00 0.00 C ATOM 191 NH1 ARG A 13 2.177 -4.044 -6.532 1.00 0.00 N ATOM 192 NH2 ARG A 13 2.231 -6.338 -6.359 1.00 0.00 N ATOM 0 H ARG A 13 3.166 -3.297 0.321 1.00 0.00 H new ATOM 0 HA ARG A 13 2.160 -5.897 -0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.326 -4.377 -1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.523 -5.825 -2.164 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.331 -4.568 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.229 -3.120 -1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.811 -3.113 -4.056 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.529 -3.348 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 13 2.631 -5.934 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.237 -3.123 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.024 -4.125 -7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.332 -7.181 -5.794 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.078 -6.413 -7.365 1.00 0.00 H new ATOM 206 N VAL A 14 5.285 -5.620 0.878 1.00 0.00 N ATOM 207 CA VAL A 14 6.408 -6.347 1.475 1.00 0.00 C ATOM 208 C VAL A 14 5.968 -7.067 2.760 1.00 0.00 C ATOM 209 O VAL A 14 6.240 -8.259 2.933 1.00 0.00 O ATOM 210 CB VAL A 14 7.608 -5.400 1.775 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.748 -6.144 2.464 1.00 0.00 C ATOM 212 CG2 VAL A 14 8.108 -4.764 0.489 1.00 0.00 C ATOM 0 H VAL A 14 5.416 -4.609 0.843 1.00 0.00 H new ATOM 0 HA VAL A 14 6.738 -7.090 0.749 1.00 0.00 H new ATOM 0 HB VAL A 14 7.256 -4.621 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.568 -5.453 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.393 -6.561 3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.098 -6.951 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.947 -4.104 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.432 -5.544 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.304 -4.187 0.032 1.00 0.00 H new ATOM 222 N ARG A 15 5.240 -6.348 3.617 1.00 0.00 N ATOM 223 CA ARG A 15 4.741 -6.875 4.893 1.00 0.00 C ATOM 224 C ARG A 15 3.943 -8.138 4.647 1.00 0.00 C ATOM 225 O ARG A 15 4.245 -9.201 5.181 1.00 0.00 O ATOM 226 CB ARG A 15 3.833 -5.838 5.570 1.00 0.00 C ATOM 227 CG ARG A 15 3.377 -6.206 6.976 1.00 0.00 C ATOM 228 CD ARG A 15 2.356 -5.202 7.499 1.00 0.00 C ATOM 229 NE ARG A 15 1.063 -5.299 6.787 1.00 0.00 N ATOM 230 CZ ARG A 15 0.366 -4.273 6.267 1.00 0.00 C ATOM 231 NH1 ARG A 15 0.897 -3.051 6.207 1.00 0.00 N ATOM 232 NH2 ARG A 15 -0.852 -4.491 5.780 1.00 0.00 N ATOM 0 H ARG A 15 4.977 -5.377 3.446 1.00 0.00 H new ATOM 0 HA ARG A 15 5.592 -7.094 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.362 -4.886 5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 15 2.952 -5.685 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.941 -7.205 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.237 -6.237 7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.196 -5.370 8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.753 -4.193 7.392 1.00 0.00 H new ATOM 0 HE ARG A 15 0.663 -6.231 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.841 -2.887 6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.359 -2.280 5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.250 -5.430 5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.388 -3.719 5.384 1.00 0.00 H new ATOM 246 N CYS A 16 2.965 -8.027 3.783 1.00 0.00 N ATOM 247 CA CYS A 16 2.099 -9.134 3.479 1.00 0.00 C ATOM 248 C CYS A 16 2.784 -10.203 2.620 1.00 0.00 C ATOM 249 O CYS A 16 2.321 -11.331 2.548 1.00 0.00 O ATOM 250 CB CYS A 16 0.801 -8.642 2.855 1.00 0.00 C ATOM 251 SG CYS A 16 -0.162 -7.572 3.982 1.00 0.00 S ATOM 0 H CYS A 16 2.749 -7.170 3.274 1.00 0.00 H new ATOM 0 HA CYS A 16 1.855 -9.625 4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.027 -8.091 1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.193 -9.500 2.567 1.00 0.00 H new ATOM 256 N GLN A 17 3.898 -9.875 2.019 1.00 0.00 N ATOM 257 CA GLN A 17 4.605 -10.848 1.229 1.00 0.00 C ATOM 258 C GLN A 17 5.355 -11.788 2.153 1.00 0.00 C ATOM 259 O GLN A 17 5.418 -12.995 1.918 1.00 0.00 O ATOM 260 CB GLN A 17 5.572 -10.175 0.255 1.00 0.00 C ATOM 261 CG GLN A 17 6.167 -11.127 -0.760 1.00 0.00 C ATOM 262 CD GLN A 17 5.099 -11.804 -1.599 1.00 0.00 C ATOM 263 OE1 GLN A 17 4.027 -11.242 -1.845 1.00 0.00 O ATOM 264 NE2 GLN A 17 5.361 -12.998 -2.030 1.00 0.00 N ATOM 0 H GLN A 17 4.331 -8.952 2.060 1.00 0.00 H new ATOM 0 HA GLN A 17 3.883 -11.412 0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.048 -9.377 -0.271 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.379 -9.709 0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.849 -10.582 -1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.757 -11.885 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.256 -13.435 -1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.672 -13.501 -2.590 1.00 0.00 H new ATOM 273 N VAL A 18 5.894 -11.232 3.213 1.00 0.00 N ATOM 274 CA VAL A 18 6.636 -12.005 4.184 1.00 0.00 C ATOM 275 C VAL A 18 5.683 -12.667 5.183 1.00 0.00 C ATOM 276 O VAL A 18 5.696 -13.892 5.356 1.00 0.00 O ATOM 277 CB VAL A 18 7.650 -11.114 4.962 1.00 0.00 C ATOM 278 CG1 VAL A 18 8.490 -11.944 5.928 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.544 -10.341 4.005 1.00 0.00 C ATOM 0 H VAL A 18 5.832 -10.237 3.427 1.00 0.00 H new ATOM 0 HA VAL A 18 7.187 -12.771 3.638 1.00 0.00 H new ATOM 0 HB VAL A 18 7.074 -10.397 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.187 -11.293 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.836 -12.435 6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.047 -12.697 5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.242 -9.727 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.101 -11.041 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.931 -9.700 3.372 1.00 0.00 H new ATOM 289 N ALA A 19 4.838 -11.854 5.792 1.00 0.00 N ATOM 290 CA ALA A 19 3.962 -12.298 6.864 1.00 0.00 C ATOM 291 C ALA A 19 2.769 -13.122 6.384 1.00 0.00 C ATOM 292 O ALA A 19 2.396 -14.095 7.035 1.00 0.00 O ATOM 293 CB ALA A 19 3.492 -11.114 7.690 1.00 0.00 C ATOM 0 H ALA A 19 4.739 -10.866 5.558 1.00 0.00 H new ATOM 0 HA ALA A 19 4.559 -12.966 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.837 -11.464 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.354 -10.608 8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.946 -10.419 7.052 1.00 0.00 H new ATOM 299 N GLU A 20 2.174 -12.749 5.264 1.00 0.00 N ATOM 300 CA GLU A 20 0.990 -13.462 4.795 1.00 0.00 C ATOM 301 C GLU A 20 1.377 -14.564 3.818 1.00 0.00 C ATOM 302 O GLU A 20 1.184 -15.748 4.101 1.00 0.00 O ATOM 303 CB GLU A 20 0.017 -12.502 4.095 1.00 0.00 C ATOM 304 CG GLU A 20 -0.475 -11.344 4.941 1.00 0.00 C ATOM 305 CD GLU A 20 -1.325 -11.781 6.089 1.00 0.00 C ATOM 306 OE1 GLU A 20 -2.527 -12.019 5.887 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.823 -11.868 7.215 1.00 0.00 O ATOM 0 H GLU A 20 2.479 -11.976 4.672 1.00 0.00 H new ATOM 0 HA GLU A 20 0.505 -13.900 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.506 -12.100 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.846 -13.072 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.382 -10.789 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.045 -10.659 4.314 1.00 0.00 H new ATOM 314 N HIS A 21 1.985 -14.158 2.705 1.00 0.00 N ATOM 315 CA HIS A 21 2.359 -15.053 1.602 1.00 0.00 C ATOM 316 C HIS A 21 1.144 -15.852 1.095 1.00 0.00 C ATOM 317 O HIS A 21 0.855 -16.978 1.558 1.00 0.00 O ATOM 318 CB HIS A 21 3.545 -15.972 1.966 1.00 0.00 C ATOM 319 CG HIS A 21 4.028 -16.849 0.838 1.00 0.00 C ATOM 320 ND1 HIS A 21 4.115 -18.223 0.911 1.00 0.00 N ATOM 321 CD2 HIS A 21 4.473 -16.514 -0.400 1.00 0.00 C ATOM 322 CE1 HIS A 21 4.592 -18.673 -0.245 1.00 0.00 C ATOM 323 NE2 HIS A 21 4.831 -17.673 -1.086 1.00 0.00 N ATOM 0 H HIS A 21 2.237 -13.184 2.538 1.00 0.00 H new ATOM 0 HA HIS A 21 2.703 -14.423 0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.375 -15.354 2.309 1.00 0.00 H new ATOM 0 HB3 HIS A 21 3.253 -16.607 2.803 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.539 -15.509 -0.791 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.763 -19.715 -0.471 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.199 -17.739 -2.035 1.00 0.00 H new ATOM 331 N GLY A 22 0.416 -15.240 0.203 1.00 0.00 N ATOM 332 CA GLY A 22 -0.744 -15.854 -0.358 1.00 0.00 C ATOM 333 C GLY A 22 -1.468 -14.885 -1.237 1.00 0.00 C ATOM 334 O GLY A 22 -1.464 -13.697 -0.947 1.00 0.00 O ATOM 0 H GLY A 22 0.613 -14.304 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.456 -16.734 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.404 -16.197 0.439 1.00 0.00 H new ATOM 338 N VAL A 23 -2.101 -15.379 -2.286 1.00 0.00 N ATOM 339 CA VAL A 23 -2.758 -14.527 -3.275 1.00 0.00 C ATOM 340 C VAL A 23 -3.921 -13.755 -2.671 1.00 0.00 C ATOM 341 O VAL A 23 -4.008 -12.544 -2.825 1.00 0.00 O ATOM 342 CB VAL A 23 -3.263 -15.339 -4.500 1.00 0.00 C ATOM 343 CG1 VAL A 23 -3.926 -14.432 -5.530 1.00 0.00 C ATOM 344 CG2 VAL A 23 -2.129 -16.122 -5.130 1.00 0.00 C ATOM 0 H VAL A 23 -2.177 -16.377 -2.481 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.001 -13.820 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.013 -16.045 -4.144 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.268 -15.030 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.777 -13.926 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.207 -13.691 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.505 -16.683 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.351 -15.434 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.713 -16.814 -4.397 1.00 0.00 H new ATOM 354 N GLU A 24 -4.778 -14.449 -1.950 1.00 0.00 N ATOM 355 CA GLU A 24 -5.974 -13.860 -1.385 1.00 0.00 C ATOM 356 C GLU A 24 -5.600 -12.776 -0.380 1.00 0.00 C ATOM 357 O GLU A 24 -6.165 -11.676 -0.374 1.00 0.00 O ATOM 358 CB GLU A 24 -6.796 -14.941 -0.699 1.00 0.00 C ATOM 359 CG GLU A 24 -8.160 -14.487 -0.256 1.00 0.00 C ATOM 360 CD GLU A 24 -9.075 -14.190 -1.420 1.00 0.00 C ATOM 361 OE1 GLU A 24 -8.840 -13.215 -2.160 1.00 0.00 O ATOM 362 OE2 GLU A 24 -10.058 -14.921 -1.611 1.00 0.00 O ATOM 0 H GLU A 24 -4.664 -15.440 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.563 -13.409 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.909 -15.784 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.246 -15.305 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.611 -15.258 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.060 -13.594 0.361 1.00 0.00 H new ATOM 369 N ARG A 25 -4.615 -13.081 0.433 1.00 0.00 N ATOM 370 CA ARG A 25 -4.144 -12.157 1.434 1.00 0.00 C ATOM 371 C ARG A 25 -3.397 -10.987 0.800 1.00 0.00 C ATOM 372 O ARG A 25 -3.466 -9.856 1.290 1.00 0.00 O ATOM 373 CB ARG A 25 -3.298 -12.875 2.472 1.00 0.00 C ATOM 374 CG ARG A 25 -4.092 -13.875 3.298 1.00 0.00 C ATOM 375 CD ARG A 25 -3.228 -14.545 4.339 1.00 0.00 C ATOM 376 NE ARG A 25 -4.011 -15.393 5.236 1.00 0.00 N ATOM 377 CZ ARG A 25 -4.098 -15.236 6.565 1.00 0.00 C ATOM 378 NH1 ARG A 25 -3.565 -14.175 7.157 1.00 0.00 N ATOM 379 NH2 ARG A 25 -4.764 -16.123 7.283 1.00 0.00 N ATOM 0 H ARG A 25 -4.121 -13.973 0.418 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.010 -11.739 1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.481 -13.394 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.847 -12.139 3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.923 -13.366 3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.523 -14.630 2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.465 -15.147 3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.707 -13.785 4.921 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.532 -16.164 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.083 -13.469 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.637 -14.065 8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.207 -16.920 6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.835 -16.011 8.294 1.00 0.00 H new ATOM 393 N GLN A 26 -2.716 -11.256 -0.303 1.00 0.00 N ATOM 394 CA GLN A 26 -2.020 -10.231 -1.064 1.00 0.00 C ATOM 395 C GLN A 26 -3.032 -9.265 -1.656 1.00 0.00 C ATOM 396 O GLN A 26 -2.847 -8.055 -1.586 1.00 0.00 O ATOM 397 CB GLN A 26 -1.157 -10.879 -2.154 1.00 0.00 C ATOM 398 CG GLN A 26 -0.406 -9.923 -3.066 1.00 0.00 C ATOM 399 CD GLN A 26 0.559 -10.661 -3.978 1.00 0.00 C ATOM 400 OE1 GLN A 26 1.101 -11.705 -3.609 1.00 0.00 O ATOM 401 NE2 GLN A 26 0.768 -10.155 -5.158 1.00 0.00 N ATOM 0 H GLN A 26 -2.630 -12.193 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.356 -9.670 -0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.432 -11.536 -1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.798 -11.509 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.118 -9.360 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.143 -9.200 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.303 -9.289 -5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.397 -10.624 -5.810 1.00 0.00 H new ATOM 410 N ARG A 27 -4.129 -9.817 -2.190 1.00 0.00 N ATOM 411 CA ARG A 27 -5.227 -9.021 -2.743 1.00 0.00 C ATOM 412 C ARG A 27 -5.774 -8.094 -1.680 1.00 0.00 C ATOM 413 O ARG A 27 -5.956 -6.908 -1.927 1.00 0.00 O ATOM 414 CB ARG A 27 -6.380 -9.899 -3.236 1.00 0.00 C ATOM 415 CG ARG A 27 -6.058 -10.837 -4.376 1.00 0.00 C ATOM 416 CD ARG A 27 -7.280 -11.666 -4.737 1.00 0.00 C ATOM 417 NE ARG A 27 -8.378 -10.838 -5.263 1.00 0.00 N ATOM 418 CZ ARG A 27 -9.690 -11.022 -5.026 1.00 0.00 C ATOM 419 NH1 ARG A 27 -10.100 -11.852 -4.066 1.00 0.00 N ATOM 420 NH2 ARG A 27 -10.588 -10.311 -5.709 1.00 0.00 N ATOM 0 H ARG A 27 -4.278 -10.824 -2.250 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.821 -8.461 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.744 -10.491 -2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.198 -9.249 -3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.728 -10.266 -5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.235 -11.494 -4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.003 -12.414 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.625 -12.206 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.121 -10.053 -5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.416 -12.356 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.097 -11.983 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.279 -9.633 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.584 -10.445 -5.535 1.00 0.00 H new ATOM 434 N ARG A 28 -6.012 -8.655 -0.498 1.00 0.00 N ATOM 435 CA ARG A 28 -6.550 -7.927 0.647 1.00 0.00 C ATOM 436 C ARG A 28 -5.680 -6.725 1.001 1.00 0.00 C ATOM 437 O ARG A 28 -6.173 -5.580 1.037 1.00 0.00 O ATOM 438 CB ARG A 28 -6.654 -8.861 1.848 1.00 0.00 C ATOM 439 CG ARG A 28 -7.227 -8.216 3.099 1.00 0.00 C ATOM 440 CD ARG A 28 -7.253 -9.200 4.248 1.00 0.00 C ATOM 441 NE ARG A 28 -8.033 -10.398 3.912 1.00 0.00 N ATOM 442 CZ ARG A 28 -7.841 -11.616 4.424 1.00 0.00 C ATOM 443 NH1 ARG A 28 -6.898 -11.819 5.351 1.00 0.00 N ATOM 444 NH2 ARG A 28 -8.600 -12.632 4.016 1.00 0.00 N ATOM 0 H ARG A 28 -5.834 -9.641 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.541 -7.559 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.276 -9.714 1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.662 -9.250 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.628 -7.347 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.237 -7.857 2.899 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.234 -9.488 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.680 -8.721 5.129 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.784 -10.291 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.321 -11.041 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.756 -12.752 5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.325 -12.478 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.456 -13.564 4.405 1.00 0.00 H new ATOM 458 N CYS A 29 -4.398 -6.985 1.232 1.00 0.00 N ATOM 459 CA CYS A 29 -3.445 -5.952 1.591 1.00 0.00 C ATOM 460 C CYS A 29 -3.312 -4.927 0.479 1.00 0.00 C ATOM 461 O CYS A 29 -3.343 -3.716 0.726 1.00 0.00 O ATOM 462 CB CYS A 29 -2.083 -6.570 1.895 1.00 0.00 C ATOM 463 SG CYS A 29 -2.062 -7.725 3.301 1.00 0.00 S ATOM 0 H CYS A 29 -3.994 -7.920 1.175 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.814 -5.447 2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.732 -7.095 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.372 -5.768 2.092 1.00 0.00 H new ATOM 468 N GLN A 30 -3.215 -5.410 -0.753 1.00 0.00 N ATOM 469 CA GLN A 30 -3.077 -4.541 -1.896 1.00 0.00 C ATOM 470 C GLN A 30 -4.289 -3.636 -2.019 1.00 0.00 C ATOM 471 O GLN A 30 -4.144 -2.449 -2.095 1.00 0.00 O ATOM 472 CB GLN A 30 -2.874 -5.346 -3.188 1.00 0.00 C ATOM 473 CG GLN A 30 -2.680 -4.495 -4.443 1.00 0.00 C ATOM 474 CD GLN A 30 -1.386 -3.690 -4.460 1.00 0.00 C ATOM 475 OE1 GLN A 30 -0.851 -3.300 -3.425 1.00 0.00 O ATOM 476 NE2 GLN A 30 -0.886 -3.427 -5.636 1.00 0.00 N ATOM 0 H GLN A 30 -3.230 -6.405 -0.978 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.191 -3.924 -1.745 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.005 -5.992 -3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.737 -5.996 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.701 -5.147 -5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.522 -3.809 -4.537 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.354 -3.765 -6.477 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.027 -2.883 -5.715 1.00 0.00 H new ATOM 485 N GLN A 31 -5.472 -4.216 -1.943 1.00 0.00 N ATOM 486 CA GLN A 31 -6.719 -3.480 -2.116 1.00 0.00 C ATOM 487 C GLN A 31 -6.845 -2.313 -1.132 1.00 0.00 C ATOM 488 O GLN A 31 -7.282 -1.223 -1.510 1.00 0.00 O ATOM 489 CB GLN A 31 -7.926 -4.424 -2.001 1.00 0.00 C ATOM 490 CG GLN A 31 -9.281 -3.759 -2.212 1.00 0.00 C ATOM 491 CD GLN A 31 -9.411 -3.128 -3.580 1.00 0.00 C ATOM 492 OE1 GLN A 31 -9.844 -3.766 -4.532 1.00 0.00 O ATOM 493 NE2 GLN A 31 -9.045 -1.885 -3.689 1.00 0.00 N ATOM 0 H GLN A 31 -5.600 -5.211 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.704 -3.052 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.813 -5.226 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.914 -4.887 -1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.070 -4.500 -2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.430 -2.996 -1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.689 -1.385 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.114 -1.410 -4.589 1.00 0.00 H new ATOM 502 N VAL A 32 -6.439 -2.516 0.102 1.00 0.00 N ATOM 503 CA VAL A 32 -6.544 -1.450 1.068 1.00 0.00 C ATOM 504 C VAL A 32 -5.389 -0.448 0.916 1.00 0.00 C ATOM 505 O VAL A 32 -5.615 0.754 0.847 1.00 0.00 O ATOM 506 CB VAL A 32 -6.691 -1.960 2.548 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.503 -2.795 3.004 1.00 0.00 C ATOM 508 CG2 VAL A 32 -6.936 -0.803 3.507 1.00 0.00 C ATOM 0 H VAL A 32 -6.043 -3.388 0.453 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.474 -0.926 0.848 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.562 -2.615 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.660 -3.119 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.403 -3.668 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.594 -2.196 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.034 -1.187 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.098 -0.108 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.853 -0.285 3.225 1.00 0.00 H new ATOM 518 N CYS A 33 -4.176 -0.943 0.778 1.00 0.00 N ATOM 519 CA CYS A 33 -3.004 -0.088 0.717 1.00 0.00 C ATOM 520 C CYS A 33 -2.880 0.667 -0.600 1.00 0.00 C ATOM 521 O CYS A 33 -2.396 1.793 -0.622 1.00 0.00 O ATOM 522 CB CYS A 33 -1.749 -0.879 1.043 1.00 0.00 C ATOM 523 SG CYS A 33 -1.803 -1.597 2.727 1.00 0.00 S ATOM 0 H CYS A 33 -3.974 -1.940 0.705 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.130 0.681 1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.625 -1.679 0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.878 -0.229 0.955 1.00 0.00 H new ATOM 528 N GLU A 34 -3.343 0.068 -1.679 1.00 0.00 N ATOM 529 CA GLU A 34 -3.337 0.710 -2.978 1.00 0.00 C ATOM 530 C GLU A 34 -4.352 1.838 -2.964 1.00 0.00 C ATOM 531 O GLU A 34 -4.100 2.924 -3.485 1.00 0.00 O ATOM 532 CB GLU A 34 -3.691 -0.303 -4.068 1.00 0.00 C ATOM 533 CG GLU A 34 -3.608 0.218 -5.479 1.00 0.00 C ATOM 534 CD GLU A 34 -4.062 -0.801 -6.486 1.00 0.00 C ATOM 535 OE1 GLU A 34 -3.253 -1.648 -6.918 1.00 0.00 O ATOM 536 OE2 GLU A 34 -5.238 -0.752 -6.902 1.00 0.00 O ATOM 0 H GLU A 34 -3.733 -0.875 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.344 1.107 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.025 -1.161 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.704 -0.665 -3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.221 1.115 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.581 0.510 -5.697 1.00 0.00 H new ATOM 543 N LYS A 35 -5.485 1.591 -2.312 1.00 0.00 N ATOM 544 CA LYS A 35 -6.521 2.587 -2.214 1.00 0.00 C ATOM 545 C LYS A 35 -6.047 3.713 -1.302 1.00 0.00 C ATOM 546 O LYS A 35 -6.202 4.875 -1.636 1.00 0.00 O ATOM 547 CB LYS A 35 -7.838 1.980 -1.719 1.00 0.00 C ATOM 548 CG LYS A 35 -9.042 2.910 -1.856 1.00 0.00 C ATOM 549 CD LYS A 35 -10.339 2.237 -1.415 1.00 0.00 C ATOM 550 CE LYS A 35 -10.377 1.982 0.086 1.00 0.00 C ATOM 551 NZ LYS A 35 -10.481 3.239 0.860 1.00 0.00 N ATOM 0 H LYS A 35 -5.699 0.708 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.719 2.993 -3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.035 1.063 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.726 1.700 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.877 3.806 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.135 3.232 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.185 2.864 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.453 1.291 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.225 1.339 0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.477 1.445 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.813 3.213 1.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.254 4.046 0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.450 3.343 1.224 1.00 0.00 H new ATOM 565 N ARG A 36 -5.421 3.348 -0.169 1.00 0.00 N ATOM 566 CA ARG A 36 -4.830 4.326 0.762 1.00 0.00 C ATOM 567 C ARG A 36 -3.842 5.219 0.038 1.00 0.00 C ATOM 568 O ARG A 36 -3.862 6.440 0.200 1.00 0.00 O ATOM 569 CB ARG A 36 -4.120 3.634 1.936 1.00 0.00 C ATOM 570 CG ARG A 36 -5.051 2.984 2.937 1.00 0.00 C ATOM 571 CD ARG A 36 -4.299 2.221 4.020 1.00 0.00 C ATOM 572 NE ARG A 36 -3.357 3.067 4.782 1.00 0.00 N ATOM 573 CZ ARG A 36 -3.239 3.078 6.133 1.00 0.00 C ATOM 574 NH1 ARG A 36 -3.991 2.275 6.881 1.00 0.00 N ATOM 575 NH2 ARG A 36 -2.317 3.841 6.716 1.00 0.00 N ATOM 0 H ARG A 36 -5.311 2.378 0.125 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.648 4.928 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.446 2.875 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.504 4.368 2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.673 3.750 3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.722 2.302 2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.018 1.778 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.749 1.399 3.561 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.749 3.691 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.661 1.646 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.897 2.288 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.698 4.418 6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.229 3.848 7.732 1.00 0.00 H new ATOM 589 N LEU A 37 -3.007 4.595 -0.777 1.00 0.00 N ATOM 590 CA LEU A 37 -2.000 5.274 -1.569 1.00 0.00 C ATOM 591 C LEU A 37 -2.674 6.232 -2.547 1.00 0.00 C ATOM 592 O LEU A 37 -2.423 7.439 -2.518 1.00 0.00 O ATOM 593 CB LEU A 37 -1.156 4.197 -2.318 1.00 0.00 C ATOM 594 CG LEU A 37 0.122 4.623 -3.099 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.185 5.376 -4.387 1.00 0.00 C ATOM 596 CD2 LEU A 37 1.030 5.438 -2.211 1.00 0.00 C ATOM 0 H LEU A 37 -3.012 3.583 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.340 5.863 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.855 3.451 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.819 3.698 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 37 0.630 3.705 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.748 5.644 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.778 4.742 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.745 6.282 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.920 5.729 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.504 6.332 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.323 4.843 -1.346 1.00 0.00 H new ATOM 608 N ARG A 38 -3.559 5.691 -3.362 1.00 0.00 N ATOM 609 CA ARG A 38 -4.219 6.437 -4.419 1.00 0.00 C ATOM 610 C ARG A 38 -5.075 7.576 -3.867 1.00 0.00 C ATOM 611 O ARG A 38 -5.081 8.665 -4.421 1.00 0.00 O ATOM 612 CB ARG A 38 -5.055 5.492 -5.274 1.00 0.00 C ATOM 613 CG ARG A 38 -5.705 6.132 -6.490 1.00 0.00 C ATOM 614 CD ARG A 38 -6.532 5.109 -7.240 1.00 0.00 C ATOM 615 NE ARG A 38 -7.609 4.571 -6.393 1.00 0.00 N ATOM 616 CZ ARG A 38 -7.866 3.269 -6.198 1.00 0.00 C ATOM 617 NH1 ARG A 38 -7.142 2.349 -6.808 1.00 0.00 N ATOM 618 NH2 ARG A 38 -8.862 2.899 -5.391 1.00 0.00 N ATOM 0 H ARG A 38 -3.843 4.713 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.449 6.894 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.420 4.672 -5.609 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.836 5.056 -4.650 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.337 6.963 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.939 6.543 -7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.961 5.567 -8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.890 4.295 -7.577 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.209 5.243 -5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.383 2.627 -7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.341 1.360 -6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.428 3.606 -4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.057 1.909 -5.243 1.00 0.00 H new ATOM 632 N GLU A 39 -5.773 7.336 -2.771 1.00 0.00 N ATOM 633 CA GLU A 39 -6.601 8.371 -2.181 1.00 0.00 C ATOM 634 C GLU A 39 -5.752 9.446 -1.532 1.00 0.00 C ATOM 635 O GLU A 39 -6.114 10.615 -1.571 1.00 0.00 O ATOM 636 CB GLU A 39 -7.610 7.813 -1.179 1.00 0.00 C ATOM 637 CG GLU A 39 -8.630 6.859 -1.785 1.00 0.00 C ATOM 638 CD GLU A 39 -9.673 6.421 -0.788 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.800 6.981 -0.803 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.405 5.523 0.030 1.00 0.00 O ATOM 0 H GLU A 39 -5.783 6.444 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.168 8.817 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.070 7.294 -0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.139 8.644 -0.712 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.120 7.344 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.115 5.982 -2.176 1.00 0.00 H new ATOM 647 N ARG A 40 -4.618 9.054 -0.959 1.00 0.00 N ATOM 648 CA ARG A 40 -3.718 10.009 -0.324 1.00 0.00 C ATOM 649 C ARG A 40 -3.035 10.856 -1.367 1.00 0.00 C ATOM 650 O ARG A 40 -3.087 12.072 -1.305 1.00 0.00 O ATOM 651 CB ARG A 40 -2.662 9.316 0.534 1.00 0.00 C ATOM 652 CG ARG A 40 -1.688 10.276 1.197 1.00 0.00 C ATOM 653 CD ARG A 40 -0.651 9.540 2.009 1.00 0.00 C ATOM 654 NE ARG A 40 -1.202 8.902 3.200 1.00 0.00 N ATOM 655 CZ ARG A 40 -1.201 7.589 3.433 1.00 0.00 C ATOM 656 NH1 ARG A 40 -0.933 6.725 2.449 1.00 0.00 N ATOM 657 NH2 ARG A 40 -1.517 7.136 4.635 1.00 0.00 N ATOM 0 H ARG A 40 -4.302 8.085 -0.922 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.325 10.638 0.327 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.161 8.729 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.103 8.617 -0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.194 10.879 0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.235 10.964 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.180 8.782 1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.131 10.238 2.307 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.620 9.506 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.727 7.068 1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.934 5.722 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.760 7.790 5.379 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.518 6.133 4.818 1.00 0.00 H new ATOM 671 N GLU A 41 -2.419 10.210 -2.334 1.00 0.00 N ATOM 672 CA GLU A 41 -1.723 10.914 -3.386 1.00 0.00 C ATOM 673 C GLU A 41 -2.697 11.687 -4.254 1.00 0.00 C ATOM 674 O GLU A 41 -2.362 12.743 -4.767 1.00 0.00 O ATOM 675 CB GLU A 41 -0.866 9.969 -4.223 1.00 0.00 C ATOM 676 CG GLU A 41 0.302 9.354 -3.460 1.00 0.00 C ATOM 677 CD GLU A 41 1.247 10.398 -2.902 1.00 0.00 C ATOM 678 OE1 GLU A 41 1.339 10.539 -1.668 1.00 0.00 O ATOM 679 OE2 GLU A 41 1.902 11.111 -3.687 1.00 0.00 O ATOM 0 H GLU A 41 -2.387 9.193 -2.412 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.049 11.630 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.497 9.168 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.478 10.513 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.083 8.744 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.853 8.687 -4.123 1.00 0.00 H new ATOM 686 N GLY A 42 -3.910 11.176 -4.389 1.00 0.00 N ATOM 687 CA GLY A 42 -4.932 11.870 -5.145 1.00 0.00 C ATOM 688 C GLY A 42 -5.406 13.111 -4.422 1.00 0.00 C ATOM 689 O GLY A 42 -5.846 14.082 -5.045 1.00 0.00 O ATOM 0 H GLY A 42 -4.207 10.287 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.539 12.145 -6.124 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.776 11.202 -5.317 1.00 0.00 H new ATOM 693 N ARG A 43 -5.289 13.079 -3.107 1.00 0.00 N ATOM 694 CA ARG A 43 -5.660 14.186 -2.235 1.00 0.00 C ATOM 695 C ARG A 43 -4.478 15.153 -2.107 1.00 0.00 C ATOM 696 O ARG A 43 -4.577 16.215 -1.508 1.00 0.00 O ATOM 697 CB ARG A 43 -6.077 13.608 -0.871 1.00 0.00 C ATOM 698 CG ARG A 43 -6.497 14.600 0.198 1.00 0.00 C ATOM 699 CD ARG A 43 -7.058 13.860 1.399 1.00 0.00 C ATOM 700 NE ARG A 43 -8.317 13.164 1.063 1.00 0.00 N ATOM 701 CZ ARG A 43 -8.577 11.853 1.246 1.00 0.00 C ATOM 702 NH1 ARG A 43 -7.642 11.031 1.716 1.00 0.00 N ATOM 703 NH2 ARG A 43 -9.773 11.377 0.947 1.00 0.00 N ATOM 0 H ARG A 43 -4.927 12.269 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.499 14.746 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.903 12.916 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.244 13.023 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.643 15.206 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.247 15.283 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.325 13.137 1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.235 14.564 2.212 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.061 13.729 0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.715 11.390 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.853 10.042 1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.493 12.000 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.976 10.387 1.083 1.00 0.00 H new ATOM 717 N ARG A 44 -3.372 14.770 -2.690 1.00 0.00 N ATOM 718 CA ARG A 44 -2.187 15.572 -2.701 1.00 0.00 C ATOM 719 C ARG A 44 -1.963 16.144 -4.086 1.00 0.00 C ATOM 720 O ARG A 44 -2.704 15.835 -5.041 1.00 0.00 O ATOM 721 CB ARG A 44 -0.966 14.762 -2.264 1.00 0.00 C ATOM 722 CG ARG A 44 -0.947 14.394 -0.795 1.00 0.00 C ATOM 723 CD ARG A 44 0.255 13.535 -0.474 1.00 0.00 C ATOM 724 NE ARG A 44 0.408 13.299 0.963 1.00 0.00 N ATOM 725 CZ ARG A 44 1.294 12.457 1.509 1.00 0.00 C ATOM 726 NH1 ARG A 44 1.949 11.576 0.746 1.00 0.00 N ATOM 727 NH2 ARG A 44 1.466 12.445 2.833 1.00 0.00 N ATOM 0 H ARG A 44 -3.273 13.879 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.322 16.388 -1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.923 13.847 -2.855 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.066 15.333 -2.494 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.925 15.299 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.861 13.860 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.162 12.578 -0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.154 14.017 -0.858 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.206 13.814 1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.775 11.543 -0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.623 10.937 1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.924 13.075 3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.140 11.805 3.254 1.00 0.00 H new ATOM 741 N GLU A 45 -0.972 16.969 -4.204 1.00 0.00 N ATOM 742 CA GLU A 45 -0.637 17.581 -5.449 1.00 0.00 C ATOM 743 C GLU A 45 0.777 17.158 -5.822 1.00 0.00 C ATOM 744 O GLU A 45 1.735 17.477 -5.119 1.00 0.00 O ATOM 745 CB GLU A 45 -0.776 19.096 -5.305 1.00 0.00 C ATOM 746 CG GLU A 45 -0.600 19.882 -6.581 1.00 0.00 C ATOM 747 CD GLU A 45 -0.962 21.326 -6.383 1.00 0.00 C ATOM 748 OE1 GLU A 45 -0.098 22.129 -5.980 1.00 0.00 O ATOM 749 OE2 GLU A 45 -2.123 21.691 -6.615 1.00 0.00 O ATOM 0 H GLU A 45 -0.366 17.239 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.306 17.265 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.761 19.317 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.042 19.445 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.434 19.806 -6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.223 19.452 -7.365 1.00 0.00 H new ATOM 756 N VAL A 46 0.899 16.399 -6.876 1.00 0.00 N ATOM 757 CA VAL A 46 2.177 15.858 -7.289 1.00 0.00 C ATOM 758 C VAL A 46 2.872 16.842 -8.227 1.00 0.00 C ATOM 759 O VAL A 46 2.212 17.549 -8.986 1.00 0.00 O ATOM 760 CB VAL A 46 2.009 14.447 -7.969 1.00 0.00 C ATOM 761 CG1 VAL A 46 1.246 14.511 -9.287 1.00 0.00 C ATOM 762 CG2 VAL A 46 3.340 13.727 -8.132 1.00 0.00 C ATOM 0 H VAL A 46 0.119 16.134 -7.477 1.00 0.00 H new ATOM 0 HA VAL A 46 2.798 15.716 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 46 1.399 13.858 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.162 13.509 -9.708 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.249 14.915 -9.111 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.780 15.155 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.175 12.759 -8.605 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.004 14.326 -8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.796 13.579 -7.153 1.00 0.00 H new ATOM 772 N ASP A 47 4.175 16.925 -8.135 1.00 0.00 N ATOM 773 CA ASP A 47 4.944 17.807 -8.994 1.00 0.00 C ATOM 774 C ASP A 47 5.433 17.045 -10.197 1.00 0.00 C ATOM 775 O ASP A 47 6.545 16.483 -10.148 1.00 0.00 O ATOM 776 CB ASP A 47 6.132 18.438 -8.250 1.00 0.00 C ATOM 777 CG ASP A 47 5.732 19.485 -7.250 1.00 0.00 C ATOM 778 OD1 ASP A 47 5.582 20.661 -7.632 1.00 0.00 O ATOM 779 OD2 ASP A 47 5.589 19.169 -6.053 1.00 0.00 O ATOM 780 OXT ASP A 47 4.696 16.963 -11.204 1.00 0.00 O ATOM 0 H ASP A 47 4.734 16.390 -7.470 1.00 0.00 H new ATOM 0 HA ASP A 47 4.289 18.618 -9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.687 17.652 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.810 18.884 -8.978 1.00 0.00 H new TER 785 ASP A 47