USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 437 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 101 ZNZN :(H bumps) USER MOD Set 1.1: A 53 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0522 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.018 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0.04) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.063) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -73:sc= 0.0653 USER MOD Single : A 46 SER OG : rot 85:sc= 1.1 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.593 -14.460 9.767 1.00 0.00 N ATOM 2 CA GLY A 1 18.420 -13.179 9.050 1.00 0.00 C ATOM 3 C GLY A 1 18.549 -13.341 7.542 1.00 0.00 C ATOM 4 O GLY A 1 19.160 -14.297 7.058 1.00 0.00 O ATOM 0 H1 GLY A 1 17.664 -14.819 10.065 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.046 -15.152 9.137 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.191 -14.311 10.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.441 -12.762 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.164 -12.465 9.402 1.00 0.00 H new ATOM 10 N SER A 2 17.991 -12.396 6.781 1.00 0.00 N ATOM 11 CA SER A 2 18.199 -12.259 5.326 1.00 0.00 C ATOM 12 C SER A 2 19.642 -11.827 4.976 1.00 0.00 C ATOM 13 O SER A 2 20.446 -11.483 5.851 1.00 0.00 O ATOM 14 CB SER A 2 17.190 -11.225 4.783 1.00 0.00 C ATOM 15 OG SER A 2 17.166 -10.027 5.560 1.00 0.00 O ATOM 0 H SER A 2 17.367 -11.685 7.162 1.00 0.00 H new ATOM 0 HA SER A 2 18.042 -13.233 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.444 -10.981 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.193 -11.666 4.770 1.00 0.00 H new ATOM 0 HG SER A 2 16.515 -9.402 5.178 1.00 0.00 H new ATOM 21 N GLU A 3 19.982 -11.828 3.681 1.00 0.00 N ATOM 22 CA GLU A 3 21.281 -11.348 3.176 1.00 0.00 C ATOM 23 C GLU A 3 21.554 -9.864 3.515 1.00 0.00 C ATOM 24 O GLU A 3 20.626 -9.056 3.631 1.00 0.00 O ATOM 25 CB GLU A 3 21.403 -11.619 1.661 1.00 0.00 C ATOM 26 CG GLU A 3 20.327 -10.944 0.794 1.00 0.00 C ATOM 27 CD GLU A 3 20.536 -11.268 -0.699 1.00 0.00 C ATOM 28 OE1 GLU A 3 20.130 -12.366 -1.151 1.00 0.00 O1- ATOM 29 OE2 GLU A 3 21.100 -10.423 -1.438 1.00 0.00 O ATOM 0 H GLU A 3 19.360 -12.164 2.946 1.00 0.00 H new ATOM 0 HA GLU A 3 22.054 -11.915 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 3 22.384 -11.283 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 3 21.360 -12.695 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.339 -11.280 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.359 -9.865 0.943 1.00 0.00 H new ATOM 36 N PHE A 4 22.836 -9.498 3.630 1.00 0.00 N ATOM 37 CA PHE A 4 23.305 -8.139 3.944 1.00 0.00 C ATOM 38 C PHE A 4 24.131 -7.550 2.788 1.00 0.00 C ATOM 39 O PHE A 4 24.817 -8.278 2.064 1.00 0.00 O ATOM 40 CB PHE A 4 24.142 -8.163 5.235 1.00 0.00 C ATOM 41 CG PHE A 4 23.359 -8.425 6.511 1.00 0.00 C ATOM 42 CD1 PHE A 4 22.596 -7.391 7.089 1.00 0.00 C ATOM 43 CD2 PHE A 4 23.424 -9.680 7.147 1.00 0.00 C ATOM 44 CE1 PHE A 4 21.904 -7.610 8.294 1.00 0.00 C ATOM 45 CE2 PHE A 4 22.735 -9.899 8.354 1.00 0.00 C ATOM 46 CZ PHE A 4 21.974 -8.864 8.927 1.00 0.00 C ATOM 0 H PHE A 4 23.602 -10.159 3.503 1.00 0.00 H new ATOM 0 HA PHE A 4 22.432 -7.502 4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.911 -8.929 5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.656 -7.207 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.542 -6.427 6.605 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.005 -10.477 6.707 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.319 -6.815 8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.790 -10.862 8.841 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.444 -9.032 9.853 1.00 0.00 H new ATOM 56 N THR A 5 24.079 -6.225 2.624 1.00 0.00 N ATOM 57 CA THR A 5 24.735 -5.496 1.521 1.00 0.00 C ATOM 58 C THR A 5 26.267 -5.585 1.587 1.00 0.00 C ATOM 59 O THR A 5 26.896 -6.043 0.631 1.00 0.00 O ATOM 60 CB THR A 5 24.296 -4.018 1.526 1.00 0.00 C ATOM 61 OG1 THR A 5 22.886 -3.918 1.607 1.00 0.00 O ATOM 62 CG2 THR A 5 24.737 -3.252 0.277 1.00 0.00 C ATOM 0 H THR A 5 23.572 -5.613 3.263 1.00 0.00 H new ATOM 0 HA THR A 5 24.421 -5.972 0.592 1.00 0.00 H new ATOM 0 HB THR A 5 24.779 -3.575 2.397 1.00 0.00 H new ATOM 0 HG1 THR A 5 22.625 -2.973 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 5 24.396 -2.219 0.344 1.00 0.00 H new ATOM 0 HG22 THR A 5 25.824 -3.271 0.203 1.00 0.00 H new ATOM 0 HG23 THR A 5 24.305 -3.720 -0.608 1.00 0.00 H new ATOM 70 N SER A 6 26.854 -5.193 2.727 1.00 0.00 N ATOM 71 CA SER A 6 28.305 -5.164 2.996 1.00 0.00 C ATOM 72 C SER A 6 28.590 -5.224 4.505 1.00 0.00 C ATOM 73 O SER A 6 27.760 -4.813 5.321 1.00 0.00 O ATOM 74 CB SER A 6 28.935 -3.861 2.470 1.00 0.00 C ATOM 75 OG SER A 6 28.866 -3.760 1.054 1.00 0.00 O ATOM 0 H SER A 6 26.307 -4.872 3.526 1.00 0.00 H new ATOM 0 HA SER A 6 28.733 -6.031 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.426 -3.008 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.977 -3.811 2.785 1.00 0.00 H new ATOM 0 HG SER A 6 29.276 -2.918 0.766 1.00 0.00 H new ATOM 81 N SER A 7 29.786 -5.686 4.883 1.00 0.00 N ATOM 82 CA SER A 7 30.327 -5.602 6.250 1.00 0.00 C ATOM 83 C SER A 7 31.001 -4.238 6.528 1.00 0.00 C ATOM 84 O SER A 7 31.347 -3.520 5.582 1.00 0.00 O ATOM 85 CB SER A 7 31.329 -6.751 6.450 1.00 0.00 C ATOM 86 OG SER A 7 32.418 -6.638 5.547 1.00 0.00 O ATOM 0 H SER A 7 30.425 -6.142 4.231 1.00 0.00 H new ATOM 0 HA SER A 7 29.503 -5.691 6.958 1.00 0.00 H new ATOM 0 HB2 SER A 7 31.699 -6.741 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 7 30.826 -7.707 6.302 1.00 0.00 H new ATOM 0 HG SER A 7 33.043 -7.378 5.694 1.00 0.00 H new ATOM 92 N PRO A 8 31.236 -3.858 7.804 1.00 0.00 N ATOM 93 CA PRO A 8 31.954 -2.626 8.164 1.00 0.00 C ATOM 94 C PRO A 8 33.485 -2.694 7.959 1.00 0.00 C ATOM 95 O PRO A 8 34.166 -1.682 8.143 1.00 0.00 O ATOM 96 CB PRO A 8 31.596 -2.374 9.634 1.00 0.00 C ATOM 97 CG PRO A 8 31.373 -3.779 10.187 1.00 0.00 C ATOM 98 CD PRO A 8 30.728 -4.507 9.009 1.00 0.00 C ATOM 0 HA PRO A 8 31.650 -1.813 7.505 1.00 0.00 H new ATOM 0 HB2 PRO A 8 32.398 -1.857 10.160 1.00 0.00 H new ATOM 0 HB3 PRO A 8 30.702 -1.757 9.730 1.00 0.00 H new ATOM 0 HG2 PRO A 8 32.309 -4.248 10.489 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.724 -3.771 11.062 1.00 0.00 H new ATOM 0 HD2 PRO A 8 30.984 -5.566 9.018 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.641 -4.441 9.058 1.00 0.00 H new ATOM 106 N ARG A 9 34.033 -3.863 7.580 1.00 0.00 N ATOM 107 CA ARG A 9 35.472 -4.141 7.360 1.00 0.00 C ATOM 108 C ARG A 9 36.399 -3.624 8.479 1.00 0.00 C ATOM 109 O ARG A 9 37.438 -3.010 8.219 1.00 0.00 O ATOM 110 CB ARG A 9 35.906 -3.688 5.948 1.00 0.00 C ATOM 111 CG ARG A 9 35.051 -4.299 4.824 1.00 0.00 C ATOM 112 CD ARG A 9 35.678 -4.079 3.441 1.00 0.00 C ATOM 113 NE ARG A 9 36.868 -4.932 3.239 1.00 0.00 N ATOM 114 CZ ARG A 9 37.747 -4.853 2.256 1.00 0.00 C ATOM 115 NH1 ARG A 9 37.662 -3.955 1.314 1.00 0.00 N1+ ATOM 116 NH2 ARG A 9 38.743 -5.691 2.199 1.00 0.00 N ATOM 0 H ARG A 9 33.456 -4.686 7.409 1.00 0.00 H new ATOM 0 HA ARG A 9 35.590 -5.223 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.849 -2.601 5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.949 -3.961 5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 9 34.929 -5.368 5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 9 34.055 -3.857 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 9 34.940 -4.295 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 9 35.958 -3.031 3.331 1.00 0.00 H new ATOM 0 HE ARG A 9 37.028 -5.661 3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.896 -3.281 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 9 38.361 -3.927 0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 9 38.846 -6.411 2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 9 39.420 -5.627 1.439 1.00 0.00 H new ATOM 130 N GLY A 10 36.016 -3.876 9.733 1.00 0.00 N ATOM 131 CA GLY A 10 36.767 -3.498 10.938 1.00 0.00 C ATOM 132 C GLY A 10 36.482 -4.406 12.141 1.00 0.00 C ATOM 133 O GLY A 10 35.611 -5.278 12.090 1.00 0.00 O ATOM 0 H GLY A 10 35.147 -4.365 9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.834 -3.525 10.716 1.00 0.00 H new ATOM 0 HA3 GLY A 10 36.522 -2.469 11.202 1.00 0.00 H new ATOM 137 N ASP A 11 37.223 -4.200 13.233 1.00 0.00 N ATOM 138 CA ASP A 11 37.255 -5.078 14.414 1.00 0.00 C ATOM 139 C ASP A 11 37.282 -4.252 15.715 1.00 0.00 C ATOM 140 O ASP A 11 38.349 -3.863 16.206 1.00 0.00 O ATOM 141 CB ASP A 11 38.466 -6.028 14.328 1.00 0.00 C ATOM 142 CG ASP A 11 38.329 -7.072 13.208 1.00 0.00 C ATOM 143 OD1 ASP A 11 37.637 -8.098 13.420 1.00 0.00 O1- ATOM 144 OD2 ASP A 11 38.936 -6.891 12.124 1.00 0.00 O ATOM 0 H ASP A 11 37.839 -3.392 13.326 1.00 0.00 H new ATOM 0 HA ASP A 11 36.346 -5.679 14.430 1.00 0.00 H new ATOM 0 HB2 ASP A 11 39.370 -5.442 14.163 1.00 0.00 H new ATOM 0 HB3 ASP A 11 38.588 -6.540 15.282 1.00 0.00 H new ATOM 149 N LYS A 12 36.096 -3.953 16.266 1.00 0.00 N ATOM 150 CA LYS A 12 35.918 -3.210 17.529 1.00 0.00 C ATOM 151 C LYS A 12 34.604 -3.588 18.230 1.00 0.00 C ATOM 152 O LYS A 12 33.575 -3.752 17.572 1.00 0.00 O ATOM 153 CB LYS A 12 35.946 -1.694 17.223 1.00 0.00 C ATOM 154 CG LYS A 12 36.415 -0.826 18.406 1.00 0.00 C ATOM 155 CD LYS A 12 37.931 -0.871 18.667 1.00 0.00 C ATOM 156 CE LYS A 12 38.726 -0.209 17.531 1.00 0.00 C ATOM 157 NZ LYS A 12 40.183 -0.184 17.820 1.00 0.00 N1+ ATOM 0 H LYS A 12 35.211 -4.226 15.838 1.00 0.00 H new ATOM 0 HA LYS A 12 36.731 -3.472 18.206 1.00 0.00 H new ATOM 0 HB2 LYS A 12 36.604 -1.517 16.372 1.00 0.00 H new ATOM 0 HB3 LYS A 12 34.947 -1.375 16.925 1.00 0.00 H new ATOM 0 HG2 LYS A 12 36.121 0.207 18.221 1.00 0.00 H new ATOM 0 HG3 LYS A 12 35.894 -1.150 19.307 1.00 0.00 H new ATOM 0 HD2 LYS A 12 38.153 -0.367 19.608 1.00 0.00 H new ATOM 0 HD3 LYS A 12 38.250 -1.907 18.778 1.00 0.00 H new ATOM 0 HE2 LYS A 12 38.549 -0.749 16.601 1.00 0.00 H new ATOM 0 HE3 LYS A 12 38.367 0.809 17.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 40.686 0.270 17.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 40.354 0.353 18.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 40.530 -1.157 17.937 1.00 0.00 H new ATOM 171 N ALA A 13 34.623 -3.662 19.564 1.00 0.00 N ATOM 172 CA ALA A 13 33.436 -3.894 20.403 1.00 0.00 C ATOM 173 C ALA A 13 32.573 -2.629 20.641 1.00 0.00 C ATOM 174 O ALA A 13 31.474 -2.714 21.197 1.00 0.00 O ATOM 175 CB ALA A 13 33.914 -4.493 21.733 1.00 0.00 C ATOM 0 H ALA A 13 35.481 -3.560 20.106 1.00 0.00 H new ATOM 0 HA ALA A 13 32.776 -4.581 19.873 1.00 0.00 H new ATOM 0 HB1 ALA A 13 33.055 -4.677 22.379 1.00 0.00 H new ATOM 0 HB2 ALA A 13 34.433 -5.432 21.543 1.00 0.00 H new ATOM 0 HB3 ALA A 13 34.593 -3.796 22.223 1.00 0.00 H new ATOM 181 N ALA A 14 33.056 -1.450 20.225 1.00 0.00 N ATOM 182 CA ALA A 14 32.432 -0.142 20.463 1.00 0.00 C ATOM 183 C ALA A 14 31.012 0.026 19.879 1.00 0.00 C ATOM 184 O ALA A 14 30.280 0.924 20.296 1.00 0.00 O ATOM 185 CB ALA A 14 33.375 0.932 19.906 1.00 0.00 C ATOM 0 H ALA A 14 33.924 -1.379 19.694 1.00 0.00 H new ATOM 0 HA ALA A 14 32.289 -0.045 21.539 1.00 0.00 H new ATOM 0 HB1 ALA A 14 32.939 1.918 20.067 1.00 0.00 H new ATOM 0 HB2 ALA A 14 34.336 0.872 20.416 1.00 0.00 H new ATOM 0 HB3 ALA A 14 33.520 0.770 18.838 1.00 0.00 H new ATOM 191 N TYR A 15 30.606 -0.823 18.930 1.00 0.00 N ATOM 192 CA TYR A 15 29.328 -0.715 18.215 1.00 0.00 C ATOM 193 C TYR A 15 28.170 -1.497 18.870 1.00 0.00 C ATOM 194 O TYR A 15 27.018 -1.327 18.467 1.00 0.00 O ATOM 195 CB TYR A 15 29.549 -1.145 16.756 1.00 0.00 C ATOM 196 CG TYR A 15 30.688 -0.404 16.070 1.00 0.00 C ATOM 197 CD1 TYR A 15 30.601 0.990 15.878 1.00 0.00 C ATOM 198 CD2 TYR A 15 31.851 -1.094 15.671 1.00 0.00 C ATOM 199 CE1 TYR A 15 31.675 1.694 15.301 1.00 0.00 C ATOM 200 CE2 TYR A 15 32.923 -0.394 15.081 1.00 0.00 C ATOM 201 CZ TYR A 15 32.840 1.005 14.902 1.00 0.00 C ATOM 202 OH TYR A 15 33.875 1.694 14.348 1.00 0.00 O ATOM 0 H TYR A 15 31.167 -1.621 18.630 1.00 0.00 H new ATOM 0 HA TYR A 15 29.009 0.326 18.261 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.754 -2.215 16.728 1.00 0.00 H new ATOM 0 HB3 TYR A 15 28.629 -0.982 16.194 1.00 0.00 H new ATOM 0 HD1 TYR A 15 29.708 1.519 16.174 1.00 0.00 H new ATOM 0 HD2 TYR A 15 31.921 -2.162 15.818 1.00 0.00 H new ATOM 0 HE1 TYR A 15 31.607 2.763 15.164 1.00 0.00 H new ATOM 0 HE2 TYR A 15 33.808 -0.927 14.766 1.00 0.00 H new ATOM 0 HH TYR A 15 34.601 1.074 14.130 1.00 0.00 H new ATOM 212 N ASP A 16 28.441 -2.326 19.887 1.00 0.00 N ATOM 213 CA ASP A 16 27.414 -3.098 20.609 1.00 0.00 C ATOM 214 C ASP A 16 26.697 -2.292 21.711 1.00 0.00 C ATOM 215 O ASP A 16 25.529 -2.562 22.006 1.00 0.00 O ATOM 216 CB ASP A 16 28.041 -4.361 21.215 1.00 0.00 C ATOM 217 CG ASP A 16 28.437 -5.383 20.136 1.00 0.00 C ATOM 218 OD1 ASP A 16 27.528 -5.985 19.515 1.00 0.00 O ATOM 219 OD2 ASP A 16 29.652 -5.610 19.919 1.00 0.00 O1- ATOM 0 H ASP A 16 29.386 -2.483 20.237 1.00 0.00 H new ATOM 0 HA ASP A 16 26.654 -3.363 19.874 1.00 0.00 H new ATOM 0 HB2 ASP A 16 28.922 -4.086 21.794 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.335 -4.820 21.907 1.00 0.00 H new ATOM 224 N ILE A 17 27.367 -1.298 22.313 1.00 0.00 N ATOM 225 CA ILE A 17 26.759 -0.371 23.289 1.00 0.00 C ATOM 226 C ILE A 17 25.812 0.633 22.613 1.00 0.00 C ATOM 227 O ILE A 17 24.752 0.944 23.160 1.00 0.00 O ATOM 228 CB ILE A 17 27.849 0.313 24.156 1.00 0.00 C ATOM 229 CG1 ILE A 17 27.273 1.250 25.249 1.00 0.00 C ATOM 230 CG2 ILE A 17 28.962 0.998 23.341 1.00 0.00 C ATOM 231 CD1 ILE A 17 27.046 2.727 24.875 1.00 0.00 C ATOM 0 H ILE A 17 28.354 -1.110 22.137 1.00 0.00 H new ATOM 0 HA ILE A 17 26.136 -0.955 23.967 1.00 0.00 H new ATOM 0 HB ILE A 17 28.328 -0.516 24.678 1.00 0.00 H new ATOM 0 HG12 ILE A 17 26.320 0.836 25.578 1.00 0.00 H new ATOM 0 HG13 ILE A 17 27.946 1.220 26.106 1.00 0.00 H new ATOM 0 HG21 ILE A 17 29.684 1.452 24.020 1.00 0.00 H new ATOM 0 HG22 ILE A 17 29.465 0.258 22.719 1.00 0.00 H new ATOM 0 HG23 ILE A 17 28.526 1.770 22.707 1.00 0.00 H new ATOM 0 HD11 ILE A 17 26.641 3.262 25.734 1.00 0.00 H new ATOM 0 HD12 ILE A 17 27.994 3.178 24.581 1.00 0.00 H new ATOM 0 HD13 ILE A 17 26.342 2.788 24.045 1.00 0.00 H new ATOM 243 N LEU A 18 26.166 1.110 21.413 1.00 0.00 N ATOM 244 CA LEU A 18 25.356 2.048 20.628 1.00 0.00 C ATOM 245 C LEU A 18 24.004 1.436 20.208 1.00 0.00 C ATOM 246 O LEU A 18 23.860 0.216 20.067 1.00 0.00 O ATOM 247 CB LEU A 18 26.135 2.508 19.374 1.00 0.00 C ATOM 248 CG LEU A 18 27.518 3.142 19.622 1.00 0.00 C ATOM 249 CD1 LEU A 18 28.131 3.592 18.295 1.00 0.00 C ATOM 250 CD2 LEU A 18 27.460 4.349 20.555 1.00 0.00 C ATOM 0 H LEU A 18 27.039 0.850 20.953 1.00 0.00 H new ATOM 0 HA LEU A 18 25.147 2.907 21.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 26.266 1.647 18.718 1.00 0.00 H new ATOM 0 HB3 LEU A 18 25.520 3.229 18.835 1.00 0.00 H new ATOM 0 HG LEU A 18 28.127 2.374 20.098 1.00 0.00 H new ATOM 0 HD11 LEU A 18 29.108 4.039 18.479 1.00 0.00 H new ATOM 0 HD12 LEU A 18 28.244 2.731 17.636 1.00 0.00 H new ATOM 0 HD13 LEU A 18 27.479 4.327 17.824 1.00 0.00 H new ATOM 0 HD21 LEU A 18 28.464 4.752 20.691 1.00 0.00 H new ATOM 0 HD22 LEU A 18 26.818 5.115 20.120 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.057 4.043 21.521 1.00 0.00 H new ATOM 262 N ARG A 19 23.041 2.311 19.902 1.00 0.00 N ATOM 263 CA ARG A 19 21.736 1.985 19.306 1.00 0.00 C ATOM 264 C ARG A 19 21.546 2.759 18.005 1.00 0.00 C ATOM 265 O ARG A 19 22.039 3.880 17.865 1.00 0.00 O ATOM 266 CB ARG A 19 20.613 2.308 20.314 1.00 0.00 C ATOM 267 CG ARG A 19 20.259 1.112 21.213 1.00 0.00 C ATOM 268 CD ARG A 19 19.325 0.099 20.526 1.00 0.00 C ATOM 269 NE ARG A 19 17.940 0.598 20.369 1.00 0.00 N ATOM 270 CZ ARG A 19 16.996 0.633 21.296 1.00 0.00 C ATOM 271 NH1 ARG A 19 17.201 0.217 22.516 1.00 0.00 N1+ ATOM 272 NH2 ARG A 19 15.813 1.098 21.013 1.00 0.00 N ATOM 0 H ARG A 19 23.152 3.311 20.069 1.00 0.00 H new ATOM 0 HA ARG A 19 21.697 0.921 19.073 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.921 3.147 20.938 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.723 2.625 19.770 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.177 0.606 21.513 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.783 1.477 22.123 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.728 -0.150 19.544 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.309 -0.823 21.107 1.00 0.00 H new ATOM 0 HE ARG A 19 17.686 0.953 19.447 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.114 -0.151 22.783 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.448 0.260 23.203 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.610 1.438 20.073 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.089 1.123 21.731 1.00 0.00 H new ATOM 286 N ARG A 20 20.805 2.150 17.073 1.00 0.00 N ATOM 287 CA ARG A 20 20.519 2.658 15.721 1.00 0.00 C ATOM 288 C ARG A 20 19.023 2.562 15.406 1.00 0.00 C ATOM 289 O ARG A 20 18.288 1.864 16.112 1.00 0.00 O ATOM 290 CB ARG A 20 21.412 1.919 14.699 1.00 0.00 C ATOM 291 CG ARG A 20 20.929 0.506 14.324 1.00 0.00 C ATOM 292 CD ARG A 20 22.020 -0.300 13.601 1.00 0.00 C ATOM 293 NE ARG A 20 23.021 -0.851 14.543 1.00 0.00 N ATOM 294 CZ ARG A 20 22.945 -1.996 15.205 1.00 0.00 C ATOM 295 NH1 ARG A 20 21.930 -2.807 15.078 1.00 0.00 N1+ ATOM 296 NH2 ARG A 20 23.895 -2.356 16.020 1.00 0.00 N ATOM 0 H ARG A 20 20.366 1.246 17.246 1.00 0.00 H new ATOM 0 HA ARG A 20 20.764 3.718 15.660 1.00 0.00 H new ATOM 0 HB2 ARG A 20 21.475 2.519 13.791 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.421 1.847 15.104 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.623 -0.024 15.226 1.00 0.00 H new ATOM 0 HG3 ARG A 20 20.049 0.581 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.559 -1.116 13.044 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.520 0.339 12.874 1.00 0.00 H new ATOM 0 HE ARG A 20 23.858 -0.289 14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 20 21.161 -2.567 14.453 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.906 -3.680 15.604 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.708 -1.754 16.154 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.826 -3.240 16.525 1.00 0.00 H new ATOM 310 N CYS A 21 18.587 3.244 14.348 1.00 0.00 N ATOM 311 CA CYS A 21 17.179 3.394 13.983 1.00 0.00 C ATOM 312 C CYS A 21 16.994 3.160 12.472 1.00 0.00 C ATOM 313 O CYS A 21 17.509 3.908 11.634 1.00 0.00 O ATOM 314 CB CYS A 21 16.743 4.789 14.462 1.00 0.00 C ATOM 315 SG CYS A 21 14.967 5.042 14.182 1.00 0.00 S ATOM 0 H CYS A 21 19.219 3.720 13.704 1.00 0.00 H new ATOM 0 HA CYS A 21 16.542 2.650 14.462 1.00 0.00 H new ATOM 0 HB2 CYS A 21 16.968 4.901 15.523 1.00 0.00 H new ATOM 0 HB3 CYS A 21 17.312 5.554 13.933 1.00 0.00 H new ATOM 320 N SER A 22 16.261 2.094 12.130 1.00 0.00 N ATOM 321 CA SER A 22 16.049 1.579 10.763 1.00 0.00 C ATOM 322 C SER A 22 15.320 2.535 9.801 1.00 0.00 C ATOM 323 O SER A 22 15.197 2.228 8.611 1.00 0.00 O ATOM 324 CB SER A 22 15.281 0.251 10.827 1.00 0.00 C ATOM 325 OG SER A 22 15.921 -0.679 11.692 1.00 0.00 O ATOM 0 H SER A 22 15.773 1.536 12.831 1.00 0.00 H new ATOM 0 HA SER A 22 17.050 1.453 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.264 0.434 11.175 1.00 0.00 H new ATOM 0 HB3 SER A 22 15.204 -0.175 9.826 1.00 0.00 H new ATOM 0 HG SER A 22 15.407 -1.513 11.713 1.00 0.00 H new ATOM 331 N GLN A 23 14.856 3.690 10.290 1.00 0.00 N ATOM 332 CA GLN A 23 14.184 4.740 9.509 1.00 0.00 C ATOM 333 C GLN A 23 14.846 6.131 9.646 1.00 0.00 C ATOM 334 O GLN A 23 14.350 7.096 9.054 1.00 0.00 O ATOM 335 CB GLN A 23 12.679 4.752 9.846 1.00 0.00 C ATOM 336 CG GLN A 23 12.362 5.108 11.309 1.00 0.00 C ATOM 337 CD GLN A 23 10.862 5.129 11.606 1.00 0.00 C ATOM 338 OE1 GLN A 23 10.041 5.608 10.832 1.00 0.00 O ATOM 339 NE2 GLN A 23 10.434 4.611 12.740 1.00 0.00 N ATOM 0 H GLN A 23 14.940 3.930 11.278 1.00 0.00 H new ATOM 0 HA GLN A 23 14.299 4.496 8.453 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.178 5.467 9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.261 3.770 9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.847 4.386 11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.786 6.085 11.540 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.099 4.207 13.399 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.438 4.614 12.958 1.00 0.00 H new ATOM 348 N CYS A 24 15.984 6.222 10.354 1.00 0.00 N ATOM 349 CA CYS A 24 16.736 7.464 10.586 1.00 0.00 C ATOM 350 C CYS A 24 18.236 7.358 10.206 1.00 0.00 C ATOM 351 O CYS A 24 18.837 8.350 9.788 1.00 0.00 O ATOM 352 CB CYS A 24 16.607 7.872 12.064 1.00 0.00 C ATOM 353 SG CYS A 24 14.899 7.912 12.695 1.00 0.00 S ATOM 0 H CYS A 24 16.418 5.410 10.793 1.00 0.00 H new ATOM 0 HA CYS A 24 16.301 8.222 9.934 1.00 0.00 H new ATOM 0 HB2 CYS A 24 17.188 7.177 12.671 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.052 8.859 12.195 1.00 0.00 H new ATOM 358 N GLY A 25 18.852 6.177 10.361 1.00 0.00 N ATOM 359 CA GLY A 25 20.248 5.884 9.985 1.00 0.00 C ATOM 360 C GLY A 25 21.336 6.379 10.958 1.00 0.00 C ATOM 361 O GLY A 25 22.486 5.944 10.861 1.00 0.00 O ATOM 0 H GLY A 25 18.378 5.370 10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.353 4.805 9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 25 20.438 6.324 9.006 1.00 0.00 H new ATOM 365 N ILE A 26 20.990 7.267 11.898 1.00 0.00 N ATOM 366 CA ILE A 26 21.876 7.785 12.957 1.00 0.00 C ATOM 367 C ILE A 26 22.129 6.747 14.072 1.00 0.00 C ATOM 368 O ILE A 26 21.313 5.844 14.288 1.00 0.00 O ATOM 369 CB ILE A 26 21.289 9.117 13.492 1.00 0.00 C ATOM 370 CG1 ILE A 26 22.286 9.891 14.386 1.00 0.00 C ATOM 371 CG2 ILE A 26 19.945 8.905 14.206 1.00 0.00 C ATOM 372 CD1 ILE A 26 21.859 11.335 14.691 1.00 0.00 C ATOM 0 H ILE A 26 20.051 7.662 11.947 1.00 0.00 H new ATOM 0 HA ILE A 26 22.861 7.984 12.535 1.00 0.00 H new ATOM 0 HB ILE A 26 21.103 9.740 12.617 1.00 0.00 H new ATOM 0 HG12 ILE A 26 22.409 9.353 15.326 1.00 0.00 H new ATOM 0 HG13 ILE A 26 23.260 9.906 13.898 1.00 0.00 H new ATOM 0 HG21 ILE A 26 19.569 9.863 14.565 1.00 0.00 H new ATOM 0 HG22 ILE A 26 19.227 8.471 13.509 1.00 0.00 H new ATOM 0 HG23 ILE A 26 20.084 8.230 15.051 1.00 0.00 H new ATOM 0 HD11 ILE A 26 22.609 11.811 15.322 1.00 0.00 H new ATOM 0 HD12 ILE A 26 21.764 11.891 13.758 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.900 11.329 15.209 1.00 0.00 H new ATOM 384 N LEU A 27 23.246 6.899 14.800 1.00 0.00 N ATOM 385 CA LEU A 27 23.613 6.092 15.974 1.00 0.00 C ATOM 386 C LEU A 27 23.795 6.986 17.212 1.00 0.00 C ATOM 387 O LEU A 27 24.427 8.041 17.122 1.00 0.00 O ATOM 388 CB LEU A 27 24.918 5.302 15.720 1.00 0.00 C ATOM 389 CG LEU A 27 24.780 4.015 14.885 1.00 0.00 C ATOM 390 CD1 LEU A 27 24.594 4.257 13.384 1.00 0.00 C ATOM 391 CD2 LEU A 27 26.039 3.162 15.052 1.00 0.00 C ATOM 0 H LEU A 27 23.942 7.611 14.580 1.00 0.00 H new ATOM 0 HA LEU A 27 22.801 5.387 16.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 25.626 5.962 15.219 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.354 5.040 16.684 1.00 0.00 H new ATOM 0 HG LEU A 27 23.883 3.521 15.258 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.505 3.300 12.869 1.00 0.00 H new ATOM 0 HD12 LEU A 27 23.690 4.843 13.219 1.00 0.00 H new ATOM 0 HD13 LEU A 27 25.455 4.800 12.994 1.00 0.00 H new ATOM 0 HD21 LEU A 27 25.942 2.251 14.461 1.00 0.00 H new ATOM 0 HD22 LEU A 27 26.908 3.725 14.711 1.00 0.00 H new ATOM 0 HD23 LEU A 27 26.165 2.901 16.103 1.00 0.00 H new ATOM 403 N LEU A 28 23.283 6.541 18.366 1.00 0.00 N ATOM 404 CA LEU A 28 23.358 7.229 19.668 1.00 0.00 C ATOM 405 C LEU A 28 23.860 6.257 20.762 1.00 0.00 C ATOM 406 O LEU A 28 23.622 5.051 20.643 1.00 0.00 O ATOM 407 CB LEU A 28 21.967 7.771 20.084 1.00 0.00 C ATOM 408 CG LEU A 28 21.304 8.918 19.293 1.00 0.00 C ATOM 409 CD1 LEU A 28 22.250 10.087 19.025 1.00 0.00 C ATOM 410 CD2 LEU A 28 20.664 8.474 17.978 1.00 0.00 C ATOM 0 H LEU A 28 22.783 5.654 18.424 1.00 0.00 H new ATOM 0 HA LEU A 28 24.055 8.061 19.565 1.00 0.00 H new ATOM 0 HB2 LEU A 28 21.276 6.928 20.069 1.00 0.00 H new ATOM 0 HB3 LEU A 28 22.047 8.099 21.120 1.00 0.00 H new ATOM 0 HG LEU A 28 20.507 9.258 19.955 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.724 10.860 18.465 1.00 0.00 H new ATOM 0 HD12 LEU A 28 22.598 10.498 19.973 1.00 0.00 H new ATOM 0 HD13 LEU A 28 23.105 9.738 18.445 1.00 0.00 H new ATOM 0 HD21 LEU A 28 20.219 9.336 17.481 1.00 0.00 H new ATOM 0 HD22 LEU A 28 21.425 8.035 17.333 1.00 0.00 H new ATOM 0 HD23 LEU A 28 19.890 7.734 18.182 1.00 0.00 H new ATOM 422 N PRO A 29 24.520 6.740 21.837 1.00 0.00 N ATOM 423 CA PRO A 29 25.025 5.881 22.911 1.00 0.00 C ATOM 424 C PRO A 29 23.913 5.350 23.833 1.00 0.00 C ATOM 425 O PRO A 29 23.611 4.159 23.785 1.00 0.00 O ATOM 426 CB PRO A 29 26.078 6.722 23.646 1.00 0.00 C ATOM 427 CG PRO A 29 25.637 8.165 23.399 1.00 0.00 C ATOM 428 CD PRO A 29 24.983 8.112 22.018 1.00 0.00 C ATOM 0 HA PRO A 29 25.466 4.968 22.512 1.00 0.00 H new ATOM 0 HB2 PRO A 29 26.103 6.489 24.710 1.00 0.00 H new ATOM 0 HB3 PRO A 29 27.079 6.538 23.256 1.00 0.00 H new ATOM 0 HG2 PRO A 29 24.936 8.506 24.161 1.00 0.00 H new ATOM 0 HG3 PRO A 29 26.484 8.851 23.415 1.00 0.00 H new ATOM 0 HD2 PRO A 29 24.152 8.814 21.954 1.00 0.00 H new ATOM 0 HD3 PRO A 29 25.695 8.388 21.240 1.00 0.00 H new ATOM 436 N LEU A 30 23.294 6.211 24.657 1.00 0.00 N ATOM 437 CA LEU A 30 22.231 5.849 25.612 1.00 0.00 C ATOM 438 C LEU A 30 21.421 7.067 26.119 1.00 0.00 C ATOM 439 O LEU A 30 20.207 7.066 25.923 1.00 0.00 O ATOM 440 CB LEU A 30 22.829 5.028 26.786 1.00 0.00 C ATOM 441 CG LEU A 30 22.370 3.555 26.805 1.00 0.00 C ATOM 442 CD1 LEU A 30 23.282 2.732 27.718 1.00 0.00 C ATOM 443 CD2 LEU A 30 20.933 3.423 27.312 1.00 0.00 C ATOM 0 H LEU A 30 23.524 7.204 24.679 1.00 0.00 H new ATOM 0 HA LEU A 30 21.513 5.229 25.075 1.00 0.00 H new ATOM 0 HB2 LEU A 30 23.917 5.060 26.724 1.00 0.00 H new ATOM 0 HB3 LEU A 30 22.549 5.499 27.728 1.00 0.00 H new ATOM 0 HG LEU A 30 22.422 3.185 25.781 1.00 0.00 H new ATOM 0 HD11 LEU A 30 22.949 1.694 27.724 1.00 0.00 H new ATOM 0 HD12 LEU A 30 24.307 2.783 27.350 1.00 0.00 H new ATOM 0 HD13 LEU A 30 23.240 3.133 28.731 1.00 0.00 H new ATOM 0 HD21 LEU A 30 20.642 2.372 27.312 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.867 3.818 28.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 20.264 3.984 26.660 1.00 0.00 H new ATOM 455 N PRO A 31 22.021 8.128 26.710 1.00 0.00 N ATOM 456 CA PRO A 31 21.246 9.272 27.212 1.00 0.00 C ATOM 457 C PRO A 31 20.751 10.222 26.105 1.00 0.00 C ATOM 458 O PRO A 31 19.654 10.769 26.213 1.00 0.00 O ATOM 459 CB PRO A 31 22.159 9.982 28.215 1.00 0.00 C ATOM 460 CG PRO A 31 23.569 9.628 27.748 1.00 0.00 C ATOM 461 CD PRO A 31 23.408 8.227 27.158 1.00 0.00 C ATOM 0 HA PRO A 31 20.324 8.924 27.678 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.996 11.060 28.210 1.00 0.00 H new ATOM 0 HB3 PRO A 31 21.978 9.637 29.233 1.00 0.00 H new ATOM 0 HG2 PRO A 31 23.936 10.337 27.005 1.00 0.00 H new ATOM 0 HG3 PRO A 31 24.280 9.636 28.575 1.00 0.00 H new ATOM 0 HD2 PRO A 31 24.097 8.073 26.327 1.00 0.00 H new ATOM 0 HD3 PRO A 31 23.632 7.463 27.903 1.00 0.00 H new ATOM 469 N ILE A 32 21.509 10.398 25.011 1.00 0.00 N ATOM 470 CA ILE A 32 21.059 11.181 23.837 1.00 0.00 C ATOM 471 C ILE A 32 19.955 10.436 23.058 1.00 0.00 C ATOM 472 O ILE A 32 19.093 11.068 22.441 1.00 0.00 O ATOM 473 CB ILE A 32 22.254 11.590 22.933 1.00 0.00 C ATOM 474 CG1 ILE A 32 23.333 12.378 23.719 1.00 0.00 C ATOM 475 CG2 ILE A 32 21.787 12.481 21.765 1.00 0.00 C ATOM 476 CD1 ILE A 32 24.521 11.514 24.155 1.00 0.00 C ATOM 0 H ILE A 32 22.446 10.007 24.910 1.00 0.00 H new ATOM 0 HA ILE A 32 20.616 12.108 24.202 1.00 0.00 H new ATOM 0 HB ILE A 32 22.680 10.659 22.558 1.00 0.00 H new ATOM 0 HG12 ILE A 32 23.697 13.197 23.099 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.875 12.825 24.601 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.644 12.752 21.149 1.00 0.00 H new ATOM 0 HG22 ILE A 32 21.062 11.937 21.159 1.00 0.00 H new ATOM 0 HG23 ILE A 32 21.324 13.385 22.160 1.00 0.00 H new ATOM 0 HD11 ILE A 32 25.238 12.129 24.700 1.00 0.00 H new ATOM 0 HD12 ILE A 32 24.168 10.710 24.801 1.00 0.00 H new ATOM 0 HD13 ILE A 32 25.003 11.088 23.275 1.00 0.00 H new ATOM 488 N LEU A 33 19.910 9.096 23.145 1.00 0.00 N ATOM 489 CA LEU A 33 18.852 8.274 22.541 1.00 0.00 C ATOM 490 C LEU A 33 17.449 8.650 23.049 1.00 0.00 C ATOM 491 O LEU A 33 16.496 8.459 22.304 1.00 0.00 O ATOM 492 CB LEU A 33 19.147 6.776 22.770 1.00 0.00 C ATOM 493 CG LEU A 33 18.266 5.795 21.965 1.00 0.00 C ATOM 494 CD1 LEU A 33 18.626 5.764 20.478 1.00 0.00 C ATOM 495 CD2 LEU A 33 18.434 4.379 22.516 1.00 0.00 C ATOM 0 H LEU A 33 20.614 8.550 23.641 1.00 0.00 H new ATOM 0 HA LEU A 33 18.853 8.475 21.470 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.191 6.587 22.522 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.027 6.558 23.831 1.00 0.00 H new ATOM 0 HG LEU A 33 17.239 6.145 22.066 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.976 5.058 19.961 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.495 6.758 20.051 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.664 5.453 20.361 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.811 3.690 21.945 1.00 0.00 H new ATOM 0 HD22 LEU A 33 19.478 4.078 22.433 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.133 4.358 23.563 1.00 0.00 H new ATOM 507 N ASN A 34 17.289 9.225 24.249 1.00 0.00 N ATOM 508 CA ASN A 34 15.981 9.673 24.757 1.00 0.00 C ATOM 509 C ASN A 34 15.251 10.625 23.790 1.00 0.00 C ATOM 510 O ASN A 34 14.066 10.420 23.519 1.00 0.00 O ATOM 511 CB ASN A 34 16.151 10.320 26.144 1.00 0.00 C ATOM 512 CG ASN A 34 16.321 9.291 27.249 1.00 0.00 C ATOM 513 OD1 ASN A 34 17.415 8.858 27.580 1.00 0.00 O ATOM 514 ND2 ASN A 34 15.237 8.855 27.855 1.00 0.00 N ATOM 0 H ASN A 34 18.060 9.393 24.895 1.00 0.00 H new ATOM 0 HA ASN A 34 15.349 8.789 24.843 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.019 10.980 26.130 1.00 0.00 H new ATOM 0 HB3 ASN A 34 15.282 10.941 26.361 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.312 8.159 28.597 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.322 9.213 27.583 1.00 0.00 H new ATOM 521 N GLN A 35 15.956 11.612 23.218 1.00 0.00 N ATOM 522 CA GLN A 35 15.397 12.525 22.208 1.00 0.00 C ATOM 523 C GLN A 35 14.992 11.777 20.927 1.00 0.00 C ATOM 524 O GLN A 35 13.936 12.044 20.352 1.00 0.00 O ATOM 525 CB GLN A 35 16.413 13.639 21.899 1.00 0.00 C ATOM 526 CG GLN A 35 15.836 14.710 20.959 1.00 0.00 C ATOM 527 CD GLN A 35 16.830 15.840 20.697 1.00 0.00 C ATOM 528 OE1 GLN A 35 16.961 16.784 21.466 1.00 0.00 O ATOM 529 NE2 GLN A 35 17.568 15.798 19.606 1.00 0.00 N ATOM 0 H GLN A 35 16.933 11.801 23.443 1.00 0.00 H new ATOM 0 HA GLN A 35 14.490 12.972 22.614 1.00 0.00 H new ATOM 0 HB2 GLN A 35 16.729 14.108 22.831 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.302 13.201 21.445 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.555 14.248 20.013 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.926 15.122 21.395 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.472 15.019 18.955 1.00 0.00 H new ATOM 0 HE22 GLN A 35 18.236 16.545 19.413 1.00 0.00 H new ATOM 538 N HIS A 36 15.809 10.813 20.491 1.00 0.00 N ATOM 539 CA HIS A 36 15.502 9.983 19.327 1.00 0.00 C ATOM 540 C HIS A 36 14.278 9.084 19.566 1.00 0.00 C ATOM 541 O HIS A 36 13.404 8.977 18.706 1.00 0.00 O ATOM 542 CB HIS A 36 16.729 9.137 18.958 1.00 0.00 C ATOM 543 CG HIS A 36 16.650 8.673 17.530 1.00 0.00 C ATOM 544 ND1 HIS A 36 17.196 9.332 16.460 1.00 0.00 N ATOM 545 CD2 HIS A 36 15.891 7.648 17.031 1.00 0.00 C ATOM 546 CE1 HIS A 36 16.776 8.731 15.341 1.00 0.00 C ATOM 547 NE2 HIS A 36 15.955 7.696 15.625 1.00 0.00 N ATOM 0 H HIS A 36 16.699 10.588 20.935 1.00 0.00 H new ATOM 0 HA HIS A 36 15.254 10.645 18.498 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.637 9.722 19.105 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.794 8.275 19.622 1.00 0.00 H new ATOM 0 HD1 HIS A 36 17.816 10.141 16.508 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.338 6.927 17.615 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.056 9.033 14.343 1.00 0.00 H new ATOM 555 N GLN A 37 14.199 8.458 20.744 1.00 0.00 N ATOM 556 CA GLN A 37 13.127 7.546 21.131 1.00 0.00 C ATOM 557 C GLN A 37 11.774 8.262 21.153 1.00 0.00 C ATOM 558 O GLN A 37 10.825 7.780 20.536 1.00 0.00 O ATOM 559 CB GLN A 37 13.450 6.903 22.499 1.00 0.00 C ATOM 560 CG GLN A 37 12.905 5.469 22.631 1.00 0.00 C ATOM 561 CD GLN A 37 13.926 4.398 22.228 1.00 0.00 C ATOM 562 OE1 GLN A 37 14.215 3.465 22.966 1.00 0.00 O ATOM 563 NE2 GLN A 37 14.529 4.475 21.059 1.00 0.00 N ATOM 0 H GLN A 37 14.902 8.578 21.474 1.00 0.00 H new ATOM 0 HA GLN A 37 13.057 6.752 20.387 1.00 0.00 H new ATOM 0 HB2 GLN A 37 14.530 6.890 22.643 1.00 0.00 H new ATOM 0 HB3 GLN A 37 13.030 7.520 23.293 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.596 5.298 23.662 1.00 0.00 H new ATOM 0 HG3 GLN A 37 12.015 5.366 22.010 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.310 5.241 20.422 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.215 3.769 20.791 1.00 0.00 H new ATOM 572 N GLU A 38 11.686 9.439 21.789 1.00 0.00 N ATOM 573 CA GLU A 38 10.451 10.232 21.765 1.00 0.00 C ATOM 574 C GLU A 38 10.108 10.751 20.358 1.00 0.00 C ATOM 575 O GLU A 38 8.932 10.744 20.002 1.00 0.00 O ATOM 576 CB GLU A 38 10.453 11.349 22.826 1.00 0.00 C ATOM 577 CG GLU A 38 11.412 12.515 22.557 1.00 0.00 C ATOM 578 CD GLU A 38 11.343 13.572 23.678 1.00 0.00 C ATOM 579 OE1 GLU A 38 11.792 13.298 24.818 1.00 0.00 O1- ATOM 580 OE2 GLU A 38 10.843 14.697 23.425 1.00 0.00 O ATOM 0 H GLU A 38 12.448 9.859 22.321 1.00 0.00 H new ATOM 0 HA GLU A 38 9.644 9.552 22.038 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.442 11.746 22.912 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.706 10.909 23.791 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.431 12.138 22.473 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.164 12.979 21.602 1.00 0.00 H new ATOM 587 N LYS A 39 11.090 11.129 19.523 1.00 0.00 N ATOM 588 CA LYS A 39 10.844 11.587 18.142 1.00 0.00 C ATOM 589 C LYS A 39 10.264 10.486 17.243 1.00 0.00 C ATOM 590 O LYS A 39 9.210 10.702 16.635 1.00 0.00 O ATOM 591 CB LYS A 39 12.133 12.198 17.551 1.00 0.00 C ATOM 592 CG LYS A 39 12.065 12.503 16.042 1.00 0.00 C ATOM 593 CD LYS A 39 10.973 13.511 15.634 1.00 0.00 C ATOM 594 CE LYS A 39 10.537 13.329 14.174 1.00 0.00 C ATOM 595 NZ LYS A 39 11.640 13.572 13.204 1.00 0.00 N1+ ATOM 0 H LYS A 39 12.076 11.126 19.784 1.00 0.00 H new ATOM 0 HA LYS A 39 10.079 12.362 18.182 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.360 13.121 18.085 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.961 11.513 17.733 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.033 12.887 15.719 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.897 11.570 15.504 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.109 13.393 16.288 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.345 14.526 15.777 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.157 12.317 14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.714 14.010 13.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.287 13.435 12.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.988 14.546 13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.417 12.905 13.387 1.00 0.00 H new ATOM 609 N CYS A 40 10.912 9.320 17.168 1.00 0.00 N ATOM 610 CA CYS A 40 10.423 8.178 16.391 1.00 0.00 C ATOM 611 C CYS A 40 9.032 7.720 16.885 1.00 0.00 C ATOM 612 O CYS A 40 8.133 7.485 16.071 1.00 0.00 O ATOM 613 CB CYS A 40 11.466 7.044 16.430 1.00 0.00 C ATOM 614 SG CYS A 40 12.867 7.381 15.311 1.00 0.00 S ATOM 0 H CYS A 40 11.795 9.141 17.647 1.00 0.00 H new ATOM 0 HA CYS A 40 10.292 8.478 15.351 1.00 0.00 H new ATOM 0 HB2 CYS A 40 11.834 6.923 17.449 1.00 0.00 H new ATOM 0 HB3 CYS A 40 10.993 6.104 16.148 1.00 0.00 H new ATOM 619 N ARG A 41 8.820 7.665 18.211 1.00 0.00 N ATOM 620 CA ARG A 41 7.521 7.338 18.829 1.00 0.00 C ATOM 621 C ARG A 41 6.440 8.366 18.484 1.00 0.00 C ATOM 622 O ARG A 41 5.349 7.959 18.094 1.00 0.00 O ATOM 623 CB ARG A 41 7.716 7.154 20.347 1.00 0.00 C ATOM 624 CG ARG A 41 6.567 6.458 21.097 1.00 0.00 C ATOM 625 CD ARG A 41 5.370 7.359 21.436 1.00 0.00 C ATOM 626 NE ARG A 41 4.435 6.665 22.344 1.00 0.00 N ATOM 627 CZ ARG A 41 3.345 7.169 22.897 1.00 0.00 C ATOM 628 NH1 ARG A 41 2.962 8.397 22.682 1.00 0.00 N1+ ATOM 629 NH2 ARG A 41 2.611 6.439 23.687 1.00 0.00 N ATOM 0 H ARG A 41 9.555 7.849 18.894 1.00 0.00 H new ATOM 0 HA ARG A 41 7.155 6.398 18.415 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.629 6.580 20.509 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.873 8.136 20.794 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.213 5.622 20.493 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.960 6.038 22.023 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.722 8.279 21.902 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.852 7.643 20.520 1.00 0.00 H new ATOM 0 HE ARG A 41 4.653 5.694 22.568 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.509 9.002 22.070 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.115 8.752 23.126 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.876 5.473 23.882 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.771 6.833 24.111 1.00 0.00 H new ATOM 643 N TRP A 42 6.729 9.667 18.578 1.00 0.00 N ATOM 644 CA TRP A 42 5.772 10.753 18.312 1.00 0.00 C ATOM 645 C TRP A 42 5.200 10.698 16.892 1.00 0.00 C ATOM 646 O TRP A 42 3.983 10.786 16.722 1.00 0.00 O ATOM 647 CB TRP A 42 6.430 12.117 18.578 1.00 0.00 C ATOM 648 CG TRP A 42 5.516 13.308 18.573 1.00 0.00 C ATOM 649 CD1 TRP A 42 5.002 13.886 19.683 1.00 0.00 C ATOM 650 CD2 TRP A 42 5.013 14.099 17.445 1.00 0.00 C ATOM 651 NE1 TRP A 42 4.216 14.965 19.330 1.00 0.00 N ATOM 652 CE2 TRP A 42 4.180 15.139 17.963 1.00 0.00 C ATOM 653 CE3 TRP A 42 5.175 14.056 16.040 1.00 0.00 C ATOM 654 CZ2 TRP A 42 3.536 16.074 17.138 1.00 0.00 C ATOM 655 CZ3 TRP A 42 4.526 14.985 15.202 1.00 0.00 C ATOM 656 CH2 TRP A 42 3.707 15.991 15.746 1.00 0.00 C ATOM 0 H TRP A 42 7.653 10.005 18.846 1.00 0.00 H new ATOM 0 HA TRP A 42 4.933 10.618 18.994 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.930 12.073 19.546 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.204 12.276 17.827 1.00 0.00 H new ATOM 0 HD1 TRP A 42 5.180 13.553 20.695 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.724 15.559 19.997 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.807 13.298 15.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.917 16.848 17.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.659 14.924 14.132 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.211 16.697 15.096 1.00 0.00 H new ATOM 667 N LEU A 43 6.046 10.498 15.870 1.00 0.00 N ATOM 668 CA LEU A 43 5.560 10.299 14.500 1.00 0.00 C ATOM 669 C LEU A 43 4.783 8.985 14.349 1.00 0.00 C ATOM 670 O LEU A 43 3.710 8.996 13.749 1.00 0.00 O ATOM 671 CB LEU A 43 6.714 10.375 13.481 1.00 0.00 C ATOM 672 CG LEU A 43 7.093 11.802 13.036 1.00 0.00 C ATOM 673 CD1 LEU A 43 8.253 11.725 12.041 1.00 0.00 C ATOM 674 CD2 LEU A 43 5.947 12.533 12.327 1.00 0.00 C ATOM 0 H LEU A 43 7.061 10.470 15.967 1.00 0.00 H new ATOM 0 HA LEU A 43 4.866 11.112 14.289 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.594 9.899 13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.440 9.796 12.599 1.00 0.00 H new ATOM 0 HG LEU A 43 7.352 12.350 13.942 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.526 12.731 11.722 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.110 11.250 12.518 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.950 11.139 11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.276 13.531 12.038 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.655 11.976 11.437 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.094 12.612 13.001 1.00 0.00 H new ATOM 686 N ALA A 44 5.271 7.872 14.907 1.00 0.00 N ATOM 687 CA ALA A 44 4.599 6.574 14.808 1.00 0.00 C ATOM 688 C ALA A 44 3.189 6.568 15.439 1.00 0.00 C ATOM 689 O ALA A 44 2.248 6.043 14.837 1.00 0.00 O ATOM 690 CB ALA A 44 5.504 5.504 15.433 1.00 0.00 C ATOM 0 H ALA A 44 6.141 7.846 15.439 1.00 0.00 H new ATOM 0 HA ALA A 44 4.437 6.353 13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.017 4.531 15.367 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.453 5.472 14.897 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.686 5.748 16.480 1.00 0.00 H new ATOM 696 N SER A 45 3.014 7.184 16.615 1.00 0.00 N ATOM 697 CA SER A 45 1.706 7.310 17.277 1.00 0.00 C ATOM 698 C SER A 45 0.793 8.341 16.600 1.00 0.00 C ATOM 699 O SER A 45 -0.413 8.106 16.493 1.00 0.00 O ATOM 700 CB SER A 45 1.869 7.638 18.768 1.00 0.00 C ATOM 701 OG SER A 45 2.438 8.921 18.968 1.00 0.00 O ATOM 0 H SER A 45 3.778 7.612 17.138 1.00 0.00 H new ATOM 0 HA SER A 45 1.220 6.339 17.180 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.897 7.592 19.258 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.500 6.884 19.239 1.00 0.00 H new ATOM 0 HG SER A 45 3.391 8.896 18.739 1.00 0.00 H new ATOM 707 N SER A 46 1.346 9.444 16.075 1.00 0.00 N ATOM 708 CA SER A 46 0.588 10.443 15.297 1.00 0.00 C ATOM 709 C SER A 46 0.102 9.901 13.946 1.00 0.00 C ATOM 710 O SER A 46 -0.978 10.283 13.488 1.00 0.00 O ATOM 711 CB SER A 46 1.412 11.712 15.053 1.00 0.00 C ATOM 712 OG SER A 46 1.750 12.335 16.280 1.00 0.00 O ATOM 0 H SER A 46 2.335 9.672 16.177 1.00 0.00 H new ATOM 0 HA SER A 46 -0.284 10.683 15.905 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.320 11.462 14.505 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.845 12.405 14.432 1.00 0.00 H new ATOM 0 HG SER A 46 2.560 11.921 16.645 1.00 0.00 H new ATOM 718 N LYS A 47 0.858 8.985 13.319 1.00 0.00 N ATOM 719 CA LYS A 47 0.446 8.260 12.103 1.00 0.00 C ATOM 720 C LYS A 47 -0.779 7.378 12.367 1.00 0.00 C ATOM 721 O LYS A 47 -1.743 7.415 11.603 1.00 0.00 O ATOM 722 CB LYS A 47 1.626 7.411 11.577 1.00 0.00 C ATOM 723 CG LYS A 47 1.568 7.159 10.060 1.00 0.00 C ATOM 724 CD LYS A 47 2.027 8.364 9.216 1.00 0.00 C ATOM 725 CE LYS A 47 3.529 8.647 9.379 1.00 0.00 C ATOM 726 NZ LYS A 47 3.971 9.799 8.550 1.00 0.00 N1+ ATOM 0 H LYS A 47 1.787 8.722 13.647 1.00 0.00 H new ATOM 0 HA LYS A 47 0.165 8.991 11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.562 7.914 11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.635 6.453 12.097 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.192 6.299 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.546 6.900 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.806 8.175 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.459 9.247 9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.748 8.849 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.098 7.760 9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.990 9.956 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.786 9.596 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.447 10.652 8.833 1.00 0.00 H new ATOM 740 N GLY A 48 -0.740 6.608 13.461 1.00 0.00 N ATOM 741 CA GLY A 48 -1.763 5.650 13.907 1.00 0.00 C ATOM 742 C GLY A 48 -1.935 4.450 12.966 1.00 0.00 C ATOM 743 O GLY A 48 -1.569 3.322 13.308 1.00 0.00 O ATOM 0 H GLY A 48 0.055 6.638 14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.500 5.287 14.900 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.718 6.168 14.000 1.00 0.00 H new ATOM 747 N LYS A 49 -2.430 4.703 11.749 1.00 0.00 N ATOM 748 CA LYS A 49 -2.509 3.761 10.622 1.00 0.00 C ATOM 749 C LYS A 49 -1.126 3.624 9.963 1.00 0.00 C ATOM 750 O LYS A 49 -0.854 4.224 8.921 1.00 0.00 O ATOM 751 CB LYS A 49 -3.630 4.228 9.666 1.00 0.00 C ATOM 752 CG LYS A 49 -4.219 3.133 8.755 1.00 0.00 C ATOM 753 CD LYS A 49 -3.246 2.558 7.716 1.00 0.00 C ATOM 754 CE LYS A 49 -3.986 1.603 6.771 1.00 0.00 C ATOM 755 NZ LYS A 49 -3.062 1.005 5.772 1.00 0.00 N1+ ATOM 0 H LYS A 49 -2.807 5.620 11.509 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.777 2.757 10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.437 4.655 10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.239 5.028 9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.582 2.318 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.084 3.543 8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.792 3.368 7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.436 2.029 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.460 0.811 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.782 2.142 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.593 0.364 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.628 1.761 5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.317 0.471 6.264 1.00 0.00 H new ATOM 769 N GLN A 50 -0.224 2.877 10.604 1.00 0.00 N ATOM 770 CA GLN A 50 1.096 2.545 10.048 1.00 0.00 C ATOM 771 C GLN A 50 0.973 1.819 8.695 1.00 0.00 C ATOM 772 O GLN A 50 0.063 1.011 8.485 1.00 0.00 O ATOM 773 CB GLN A 50 1.896 1.682 11.039 1.00 0.00 C ATOM 774 CG GLN A 50 2.315 2.455 12.303 1.00 0.00 C ATOM 775 CD GLN A 50 3.170 1.621 13.263 1.00 0.00 C ATOM 776 OE1 GLN A 50 3.808 0.637 12.906 1.00 0.00 O ATOM 777 NE2 GLN A 50 3.222 1.981 14.529 1.00 0.00 N ATOM 0 H GLN A 50 -0.387 2.481 11.530 1.00 0.00 H new ATOM 0 HA GLN A 50 1.628 3.482 9.881 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.296 0.819 11.329 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.787 1.298 10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.872 3.345 12.009 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.421 2.797 12.825 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.699 2.796 14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.785 1.444 15.189 1.00 0.00 H new ATOM 786 N VAL A 51 1.908 2.081 7.776 1.00 0.00 N ATOM 787 CA VAL A 51 1.902 1.504 6.415 1.00 0.00 C ATOM 788 C VAL A 51 2.275 0.015 6.365 1.00 0.00 C ATOM 789 O VAL A 51 1.937 -0.654 5.390 1.00 0.00 O ATOM 790 CB VAL A 51 2.795 2.311 5.448 1.00 0.00 C ATOM 791 CG1 VAL A 51 2.236 3.724 5.248 1.00 0.00 C ATOM 792 CG2 VAL A 51 4.257 2.422 5.904 1.00 0.00 C ATOM 0 H VAL A 51 2.698 2.702 7.950 1.00 0.00 H new ATOM 0 HA VAL A 51 0.865 1.575 6.086 1.00 0.00 H new ATOM 0 HB VAL A 51 2.784 1.754 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.880 4.276 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.231 3.662 4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.199 4.240 6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.822 3.002 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.299 2.918 6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.689 1.425 5.988 1.00 0.00 H new ATOM 802 N ARG A 52 2.956 -0.518 7.395 1.00 0.00 N ATOM 803 CA ARG A 52 3.428 -1.924 7.507 1.00 0.00 C ATOM 804 C ARG A 52 4.076 -2.487 6.220 1.00 0.00 C ATOM 805 O ARG A 52 3.972 -3.680 5.928 1.00 0.00 O ATOM 806 CB ARG A 52 2.284 -2.816 8.040 1.00 0.00 C ATOM 807 CG ARG A 52 1.734 -2.365 9.403 1.00 0.00 C ATOM 808 CD ARG A 52 0.684 -3.363 9.906 1.00 0.00 C ATOM 809 NE ARG A 52 0.106 -2.942 11.198 1.00 0.00 N ATOM 810 CZ ARG A 52 -0.835 -3.576 11.879 1.00 0.00 C ATOM 811 NH1 ARG A 52 -1.359 -4.694 11.461 1.00 0.00 N1+ ATOM 812 NH2 ARG A 52 -1.274 -3.091 13.005 1.00 0.00 N ATOM 0 H ARG A 52 3.207 0.038 8.212 1.00 0.00 H new ATOM 0 HA ARG A 52 4.246 -1.929 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.471 -2.822 7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.644 -3.841 8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.548 -2.287 10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.291 -1.373 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.110 -3.459 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.140 -4.347 10.015 1.00 0.00 H new ATOM 0 HE ARG A 52 0.467 -2.079 11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.045 -5.107 10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.083 -5.155 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.892 -2.217 13.367 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.000 -3.585 13.525 1.00 0.00 H new ATOM 826 N ASN A 53 4.728 -1.609 5.448 1.00 0.00 N ATOM 827 CA ASN A 53 5.257 -1.834 4.095 1.00 0.00 C ATOM 828 C ASN A 53 4.304 -2.640 3.171 1.00 0.00 C ATOM 829 O ASN A 53 4.622 -3.744 2.721 1.00 0.00 O ATOM 830 CB ASN A 53 6.699 -2.374 4.203 1.00 0.00 C ATOM 831 CG ASN A 53 7.553 -1.996 3.001 1.00 0.00 C ATOM 832 OD1 ASN A 53 7.156 -2.117 1.850 1.00 0.00 O ATOM 833 ND2 ASN A 53 8.743 -1.477 3.227 1.00 0.00 N ATOM 0 H ASN A 53 4.913 -0.660 5.772 1.00 0.00 H new ATOM 0 HA ASN A 53 5.309 -0.881 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.162 -1.986 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.671 -3.459 4.298 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.326 -1.179 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.081 -1.373 4.184 1.00 0.00 H new ATOM 840 N PHE A 54 3.100 -2.101 2.925 1.00 0.00 N ATOM 841 CA PHE A 54 2.037 -2.735 2.122 1.00 0.00 C ATOM 842 C PHE A 54 2.367 -2.991 0.629 1.00 0.00 C ATOM 843 O PHE A 54 1.625 -3.728 -0.028 1.00 0.00 O ATOM 844 CB PHE A 54 0.724 -1.937 2.272 1.00 0.00 C ATOM 845 CG PHE A 54 0.692 -0.546 1.651 1.00 0.00 C ATOM 846 CD1 PHE A 54 0.514 -0.387 0.262 1.00 0.00 C ATOM 847 CD2 PHE A 54 0.782 0.603 2.464 1.00 0.00 C ATOM 848 CE1 PHE A 54 0.466 0.898 -0.308 1.00 0.00 C ATOM 849 CE2 PHE A 54 0.734 1.888 1.895 1.00 0.00 C ATOM 850 CZ PHE A 54 0.581 2.038 0.507 1.00 0.00 C ATOM 0 H PHE A 54 2.829 -1.187 3.288 1.00 0.00 H new ATOM 0 HA PHE A 54 1.931 -3.738 2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.083 -2.524 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.505 -1.840 3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.414 -1.258 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.889 0.495 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.340 1.009 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.815 2.761 2.526 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.552 3.024 0.068 1.00 0.00 H new ATOM 860 N SER A 55 3.459 -2.414 0.101 1.00 0.00 N ATOM 861 CA SER A 55 3.928 -2.472 -1.306 1.00 0.00 C ATOM 862 C SER A 55 2.833 -2.224 -2.364 1.00 0.00 C ATOM 863 O SER A 55 2.394 -3.173 -3.058 1.00 0.00 O ATOM 864 CB SER A 55 4.689 -3.779 -1.575 1.00 0.00 C ATOM 865 OG SER A 55 5.780 -3.923 -0.677 1.00 0.00 O ATOM 866 OXT SER A 55 2.453 -1.045 -2.537 1.00 0.00 O1- ATOM 0 H SER A 55 4.085 -1.855 0.680 1.00 0.00 H new ATOM 0 HA SER A 55 4.613 -1.631 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.012 -4.627 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.054 -3.787 -2.602 1.00 0.00 H new ATOM 0 HG SER A 55 6.250 -4.762 -0.865 1.00 0.00 H new TER 872 SER A 55 HETATM 873 ZN ZN A 101 14.569 6.966 14.402 1.00 0.00 ZN