USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 597 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 Single : A 7 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= 0.357 (180deg=0.0775) USER MOD Single : A 11 MET CE :methyl -179:sc= -2.85! (180deg=-2.87!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.733 (180deg=-1.29) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.631 USER MOD Single : A 37 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-6.1!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -7.89! C(o=-7.9!,f=-6.5!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -58:sc= -0.263 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -170:sc=-0.00205 USER MOD Single : A 79 ASN : amide:sc= -2.92! K(o=-2.9!,f=-0.037) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 3.846 14.221 4.804 1.00 0.00 N ATOM 40 CA VAL A 4 3.009 13.195 5.418 1.00 0.00 C ATOM 41 C VAL A 4 3.025 11.918 4.582 1.00 0.00 C ATOM 42 O VAL A 4 2.520 11.898 3.459 1.00 0.00 O ATOM 43 CB VAL A 4 1.553 13.668 5.593 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.957 13.081 6.862 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.473 15.188 5.611 1.00 0.00 C ATOM 0 HA VAL A 4 3.426 12.995 6.405 1.00 0.00 H new ATOM 0 HB VAL A 4 0.972 13.313 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.072 13.423 6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.973 11.993 6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.542 13.405 7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.435 15.496 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.068 15.574 6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.859 15.584 4.672 1.00 0.00 H new ATOM 55 N VAL A 5 3.614 10.857 5.126 1.00 0.00 N ATOM 56 CA VAL A 5 3.707 9.590 4.408 1.00 0.00 C ATOM 57 C VAL A 5 2.846 8.508 5.056 1.00 0.00 C ATOM 58 O VAL A 5 3.023 8.182 6.227 1.00 0.00 O ATOM 59 CB VAL A 5 5.167 9.092 4.337 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.229 7.671 3.794 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.010 10.031 3.489 1.00 0.00 C ATOM 0 H VAL A 5 4.032 10.849 6.056 1.00 0.00 H new ATOM 0 HA VAL A 5 3.339 9.779 3.400 1.00 0.00 H new ATOM 0 HB VAL A 5 5.575 9.084 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.267 7.342 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.663 7.007 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.801 7.645 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.036 9.664 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.602 10.075 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.998 11.028 3.929 1.00 0.00 H new ATOM 71 N ALA A 6 1.930 7.937 4.276 1.00 0.00 N ATOM 72 CA ALA A 6 1.084 6.847 4.755 1.00 0.00 C ATOM 73 C ALA A 6 1.670 5.511 4.315 1.00 0.00 C ATOM 74 O ALA A 6 2.571 5.479 3.482 1.00 0.00 O ATOM 75 CB ALA A 6 -0.337 7.006 4.236 1.00 0.00 C ATOM 0 H ALA A 6 1.755 8.212 3.309 1.00 0.00 H new ATOM 0 HA ALA A 6 1.050 6.877 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.952 6.185 4.603 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.748 7.953 4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.330 6.995 3.146 1.00 0.00 H new ATOM 81 N THR A 7 1.174 4.410 4.875 1.00 0.00 N ATOM 82 CA THR A 7 1.682 3.094 4.501 1.00 0.00 C ATOM 83 C THR A 7 0.572 2.045 4.434 1.00 0.00 C ATOM 84 O THR A 7 -0.188 1.840 5.394 1.00 0.00 O ATOM 85 CB THR A 7 2.778 2.641 5.458 1.00 0.00 C ATOM 86 OG1 THR A 7 3.673 3.705 5.738 1.00 0.00 O ATOM 87 CG2 THR A 7 3.590 1.483 4.921 1.00 0.00 C ATOM 0 H THR A 7 0.434 4.402 5.577 1.00 0.00 H new ATOM 0 HA THR A 7 2.104 3.191 3.501 1.00 0.00 H new ATOM 0 HB THR A 7 2.262 2.317 6.362 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.368 3.394 6.355 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.354 1.206 5.648 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.934 0.631 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.068 1.776 3.986 1.00 0.00 H new ATOM 95 N ILE A 8 0.528 1.364 3.291 1.00 0.00 N ATOM 96 CA ILE A 8 -0.471 0.340 3.010 1.00 0.00 C ATOM 97 C ILE A 8 0.206 -1.003 2.695 1.00 0.00 C ATOM 98 O ILE A 8 0.856 -1.144 1.663 1.00 0.00 O ATOM 99 CB ILE A 8 -1.331 0.774 1.806 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.753 2.245 1.946 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.539 -0.124 1.657 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.939 2.469 2.864 1.00 0.00 C ATOM 0 H ILE A 8 1.190 1.510 2.529 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.102 0.218 3.891 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.729 0.678 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.906 2.820 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.994 2.637 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.131 0.201 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.211 -1.152 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.147 -0.069 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.170 3.533 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.803 1.925 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.698 2.110 3.865 1.00 0.00 H new ATOM 114 N LYS A 9 0.106 -1.965 3.618 1.00 0.00 N ATOM 115 CA LYS A 9 0.761 -3.269 3.451 1.00 0.00 C ATOM 116 C LYS A 9 -0.195 -4.337 2.929 1.00 0.00 C ATOM 117 O LYS A 9 -0.889 -4.991 3.703 1.00 0.00 O ATOM 118 CB LYS A 9 1.359 -3.738 4.773 1.00 0.00 C ATOM 119 CG LYS A 9 1.496 -2.640 5.815 1.00 0.00 C ATOM 120 CD LYS A 9 2.945 -2.272 6.056 1.00 0.00 C ATOM 121 CE LYS A 9 3.654 -3.310 6.912 1.00 0.00 C ATOM 122 NZ LYS A 9 3.416 -3.089 8.366 1.00 0.00 N ATOM 0 H LYS A 9 -0.420 -1.867 4.486 1.00 0.00 H new ATOM 0 HA LYS A 9 1.549 -3.130 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.736 -4.534 5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.342 -4.168 4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.946 -1.757 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.044 -2.968 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.460 -2.175 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.997 -1.300 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.308 -4.306 6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.725 -3.277 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.199 -3.501 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.360 -2.068 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.523 -3.543 8.645 1.00 0.00 H new ATOM 136 N VAL A 10 -0.178 -4.559 1.626 1.00 0.00 N ATOM 137 CA VAL A 10 -1.076 -5.533 1.005 1.00 0.00 C ATOM 138 C VAL A 10 -0.430 -6.920 0.922 1.00 0.00 C ATOM 139 O VAL A 10 0.740 -7.050 0.569 1.00 0.00 O ATOM 140 CB VAL A 10 -1.531 -5.056 -0.400 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.230 -3.574 -0.579 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.893 -5.872 -1.517 1.00 0.00 C ATOM 0 H VAL A 10 0.444 -4.082 0.974 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.958 -5.614 1.641 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.608 -5.210 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.555 -3.254 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.762 -3.000 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.158 -3.405 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.241 -5.502 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.192 -5.779 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.173 -6.920 -1.408 1.00 0.00 H new ATOM 152 N MET A 11 -1.200 -7.954 1.273 1.00 0.00 N ATOM 153 CA MET A 11 -0.690 -9.324 1.255 1.00 0.00 C ATOM 154 C MET A 11 -1.779 -10.330 0.840 1.00 0.00 C ATOM 155 O MET A 11 -2.859 -10.383 1.436 1.00 0.00 O ATOM 156 CB MET A 11 -0.102 -9.685 2.629 1.00 0.00 C ATOM 157 CG MET A 11 -1.130 -10.137 3.658 1.00 0.00 C ATOM 158 SD MET A 11 -0.569 -11.543 4.636 1.00 0.00 S ATOM 159 CE MET A 11 -0.708 -12.867 3.438 1.00 0.00 C ATOM 0 H MET A 11 -2.172 -7.868 1.571 1.00 0.00 H new ATOM 0 HA MET A 11 0.101 -9.381 0.508 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.635 -10.478 2.498 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.429 -8.818 3.022 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.360 -9.306 4.324 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.056 -10.402 3.147 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.412 -13.809 3.900 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.740 -12.940 3.094 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.057 -12.659 2.589 1.00 0.00 H new ATOM 169 N PRO A 12 -1.499 -11.144 -0.200 1.00 0.00 N ATOM 170 CA PRO A 12 -2.437 -12.152 -0.717 1.00 0.00 C ATOM 171 C PRO A 12 -2.602 -13.334 0.233 1.00 0.00 C ATOM 172 O PRO A 12 -1.618 -13.931 0.673 1.00 0.00 O ATOM 173 CB PRO A 12 -1.791 -12.617 -2.036 1.00 0.00 C ATOM 174 CG PRO A 12 -0.713 -11.626 -2.315 1.00 0.00 C ATOM 175 CD PRO A 12 -0.257 -11.130 -0.977 1.00 0.00 C ATOM 0 HA PRO A 12 -3.438 -11.739 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.385 -13.624 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.521 -12.642 -2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.109 -12.087 -2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.085 -10.806 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.503 -11.778 -0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.173 -10.130 -1.039 1.00 0.00 H new ATOM 183 N GLU A 13 -3.851 -13.661 0.551 1.00 0.00 N ATOM 184 CA GLU A 13 -4.153 -14.772 1.447 1.00 0.00 C ATOM 185 C GLU A 13 -3.579 -16.083 0.919 1.00 0.00 C ATOM 186 O GLU A 13 -3.170 -16.948 1.694 1.00 0.00 O ATOM 187 CB GLU A 13 -5.666 -14.907 1.630 1.00 0.00 C ATOM 188 CG GLU A 13 -6.150 -14.497 3.012 1.00 0.00 C ATOM 189 CD GLU A 13 -6.405 -15.687 3.916 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.451 -16.347 3.747 1.00 0.00 O ATOM 191 OE2 GLU A 13 -5.558 -15.958 4.793 1.00 0.00 O ATOM 0 H GLU A 13 -4.673 -13.170 0.200 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.689 -14.559 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.170 -14.296 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.955 -15.941 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.408 -13.846 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.067 -13.916 2.914 1.00 0.00 H new ATOM 198 N SER A 14 -3.587 -16.241 -0.400 1.00 0.00 N ATOM 199 CA SER A 14 -3.089 -17.458 -1.030 1.00 0.00 C ATOM 200 C SER A 14 -1.564 -17.466 -1.095 1.00 0.00 C ATOM 201 O SER A 14 -0.930 -16.410 -1.109 1.00 0.00 O ATOM 202 CB SER A 14 -3.671 -17.599 -2.438 1.00 0.00 C ATOM 203 OG SER A 14 -4.607 -18.661 -2.498 1.00 0.00 O ATOM 0 H SER A 14 -3.934 -15.540 -1.055 1.00 0.00 H new ATOM 0 HA SER A 14 -3.407 -18.304 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.154 -16.667 -2.730 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.867 -17.778 -3.151 1.00 0.00 H new ATOM 0 HG SER A 14 -4.966 -18.730 -3.407 1.00 0.00 H new ATOM 209 N PRO A 15 -0.950 -18.665 -1.152 1.00 0.00 N ATOM 210 CA PRO A 15 0.508 -18.802 -1.232 1.00 0.00 C ATOM 211 C PRO A 15 1.050 -18.346 -2.581 1.00 0.00 C ATOM 212 O PRO A 15 2.260 -18.349 -2.812 1.00 0.00 O ATOM 213 CB PRO A 15 0.738 -20.301 -1.038 1.00 0.00 C ATOM 214 CG PRO A 15 -0.526 -20.939 -1.498 1.00 0.00 C ATOM 215 CD PRO A 15 -1.627 -19.978 -1.147 1.00 0.00 C ATOM 0 HA PRO A 15 1.020 -18.185 -0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.592 -20.649 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.945 -20.538 0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.500 -21.127 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.678 -21.901 -1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.439 -20.014 -1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.061 -20.203 -0.173 1.00 0.00 H new ATOM 223 N ASP A 16 0.140 -17.971 -3.474 1.00 0.00 N ATOM 224 CA ASP A 16 0.513 -17.477 -4.790 1.00 0.00 C ATOM 225 C ASP A 16 0.668 -15.965 -4.746 1.00 0.00 C ATOM 226 O ASP A 16 0.190 -15.250 -5.626 1.00 0.00 O ATOM 227 CB ASP A 16 -0.538 -17.874 -5.829 1.00 0.00 C ATOM 228 CG ASP A 16 0.079 -18.285 -7.153 1.00 0.00 C ATOM 229 OD1 ASP A 16 1.320 -18.218 -7.278 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.679 -18.676 -8.065 1.00 0.00 O ATOM 0 H ASP A 16 -0.866 -18.001 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 16 1.464 -17.924 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.136 -18.698 -5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.217 -17.037 -5.993 1.00 0.00 H new ATOM 235 N VAL A 17 1.344 -15.495 -3.704 1.00 0.00 N ATOM 236 CA VAL A 17 1.556 -14.067 -3.494 1.00 0.00 C ATOM 237 C VAL A 17 2.400 -13.459 -4.616 1.00 0.00 C ATOM 238 O VAL A 17 3.604 -13.246 -4.458 1.00 0.00 O ATOM 239 CB VAL A 17 2.258 -13.807 -2.142 1.00 0.00 C ATOM 240 CG1 VAL A 17 2.562 -12.324 -1.962 1.00 0.00 C ATOM 241 CG2 VAL A 17 1.412 -14.328 -0.991 1.00 0.00 C ATOM 0 H VAL A 17 1.758 -16.088 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 17 0.573 -13.595 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 17 3.205 -14.346 -2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.056 -12.168 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.216 -11.986 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.632 -11.756 -1.988 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.923 -14.136 -0.048 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.447 -13.822 -0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.259 -15.401 -1.109 1.00 0.00 H new ATOM 251 N ASP A 18 1.770 -13.207 -5.758 1.00 0.00 N ATOM 252 CA ASP A 18 2.460 -12.593 -6.886 1.00 0.00 C ATOM 253 C ASP A 18 2.784 -11.138 -6.573 1.00 0.00 C ATOM 254 O ASP A 18 1.936 -10.259 -6.717 1.00 0.00 O ATOM 255 CB ASP A 18 1.608 -12.682 -8.153 1.00 0.00 C ATOM 256 CG ASP A 18 0.122 -12.610 -7.860 1.00 0.00 C ATOM 257 OD1 ASP A 18 -0.280 -11.777 -7.020 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.642 -13.389 -8.470 1.00 0.00 O ATOM 0 H ASP A 18 0.786 -13.418 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 18 3.390 -13.134 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.881 -11.871 -8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.828 -13.616 -8.670 1.00 0.00 H new ATOM 263 N LEU A 19 3.998 -10.899 -6.090 1.00 0.00 N ATOM 264 CA LEU A 19 4.420 -9.556 -5.715 1.00 0.00 C ATOM 265 C LEU A 19 4.433 -8.619 -6.921 1.00 0.00 C ATOM 266 O LEU A 19 3.934 -7.497 -6.846 1.00 0.00 O ATOM 267 CB LEU A 19 5.798 -9.601 -5.036 1.00 0.00 C ATOM 268 CG LEU A 19 6.983 -9.143 -5.891 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.444 -7.758 -5.462 1.00 0.00 C ATOM 270 CD2 LEU A 19 8.127 -10.140 -5.795 1.00 0.00 C ATOM 0 H LEU A 19 4.707 -11.619 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 19 3.696 -9.159 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.760 -8.980 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.986 -10.623 -4.708 1.00 0.00 H new ATOM 0 HG LEU A 19 6.659 -9.092 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.287 -7.448 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.625 -7.049 -5.582 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.751 -7.784 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.960 -9.798 -6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.451 -10.223 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.791 -11.114 -6.150 1.00 0.00 H new ATOM 282 N GLU A 20 4.956 -9.101 -8.045 1.00 0.00 N ATOM 283 CA GLU A 20 5.051 -8.284 -9.249 1.00 0.00 C ATOM 284 C GLU A 20 3.675 -8.044 -9.847 1.00 0.00 C ATOM 285 O GLU A 20 3.396 -6.967 -10.372 1.00 0.00 O ATOM 286 CB GLU A 20 5.965 -8.954 -10.273 1.00 0.00 C ATOM 287 CG GLU A 20 5.899 -8.332 -11.659 1.00 0.00 C ATOM 288 CD GLU A 20 6.307 -9.299 -12.753 1.00 0.00 C ATOM 289 OE1 GLU A 20 5.566 -10.276 -12.988 1.00 0.00 O ATOM 290 OE2 GLU A 20 7.368 -9.079 -13.374 1.00 0.00 O ATOM 0 H GLU A 20 5.319 -10.049 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 20 5.478 -7.319 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.993 -8.907 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.700 -10.009 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.884 -7.983 -11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.549 -7.457 -11.692 1.00 0.00 H new ATOM 297 N ALA A 21 2.812 -9.043 -9.753 1.00 0.00 N ATOM 298 CA ALA A 21 1.447 -8.892 -10.233 1.00 0.00 C ATOM 299 C ALA A 21 0.703 -7.910 -9.342 1.00 0.00 C ATOM 300 O ALA A 21 -0.103 -7.105 -9.810 1.00 0.00 O ATOM 301 CB ALA A 21 0.734 -10.234 -10.275 1.00 0.00 C ATOM 0 H ALA A 21 3.028 -9.957 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 21 1.470 -8.502 -11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.284 -10.094 -10.637 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.268 -10.909 -10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.707 -10.663 -9.273 1.00 0.00 H new ATOM 307 N LEU A 22 1.003 -7.982 -8.052 1.00 0.00 N ATOM 308 CA LEU A 22 0.421 -7.078 -7.070 1.00 0.00 C ATOM 309 C LEU A 22 0.898 -5.657 -7.324 1.00 0.00 C ATOM 310 O LEU A 22 0.207 -4.692 -7.011 1.00 0.00 O ATOM 311 CB LEU A 22 0.821 -7.520 -5.654 1.00 0.00 C ATOM 312 CG LEU A 22 -0.252 -7.407 -4.554 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.600 -6.954 -5.101 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.402 -8.735 -3.836 1.00 0.00 C ATOM 0 H LEU A 22 1.652 -8.664 -7.659 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.665 -7.107 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.147 -8.559 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.684 -6.930 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 22 0.084 -6.644 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.321 -6.890 -4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.493 -5.975 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.952 -7.672 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.163 -8.645 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.700 -9.503 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.549 -9.012 -3.381 1.00 0.00 H new ATOM 326 N LYS A 23 2.096 -5.548 -7.890 1.00 0.00 N ATOM 327 CA LYS A 23 2.696 -4.257 -8.203 1.00 0.00 C ATOM 328 C LYS A 23 1.772 -3.439 -9.091 1.00 0.00 C ATOM 329 O LYS A 23 1.544 -2.254 -8.847 1.00 0.00 O ATOM 330 CB LYS A 23 4.040 -4.460 -8.907 1.00 0.00 C ATOM 331 CG LYS A 23 5.247 -4.097 -8.057 1.00 0.00 C ATOM 332 CD LYS A 23 5.938 -5.333 -7.512 1.00 0.00 C ATOM 333 CE LYS A 23 7.406 -5.360 -7.901 1.00 0.00 C ATOM 334 NZ LYS A 23 7.650 -6.218 -9.094 1.00 0.00 N ATOM 0 H LYS A 23 2.675 -6.348 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 23 2.855 -3.717 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.124 -5.503 -9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.056 -3.860 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.952 -3.518 -8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.932 -3.461 -7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.847 -5.354 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.442 -6.227 -7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.745 -4.345 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.997 -5.728 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.581 -5.992 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.629 -7.219 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.911 -6.043 -9.805 1.00 0.00 H new ATOM 348 N LYS A 24 1.250 -4.082 -10.128 1.00 0.00 N ATOM 349 CA LYS A 24 0.343 -3.421 -11.055 1.00 0.00 C ATOM 350 C LYS A 24 -0.947 -3.030 -10.348 1.00 0.00 C ATOM 351 O LYS A 24 -1.472 -1.935 -10.550 1.00 0.00 O ATOM 352 CB LYS A 24 0.032 -4.333 -12.244 1.00 0.00 C ATOM 353 CG LYS A 24 1.157 -5.297 -12.591 1.00 0.00 C ATOM 354 CD LYS A 24 1.148 -5.660 -14.066 1.00 0.00 C ATOM 355 CE LYS A 24 0.516 -7.022 -14.302 1.00 0.00 C ATOM 356 NZ LYS A 24 1.153 -7.742 -15.440 1.00 0.00 N ATOM 0 H LYS A 24 1.440 -5.060 -10.347 1.00 0.00 H new ATOM 0 HA LYS A 24 0.830 -2.518 -11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.869 -4.905 -12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.187 -3.716 -13.116 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.115 -4.847 -12.332 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.058 -6.203 -11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.599 -4.902 -14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.169 -5.661 -14.448 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.603 -7.624 -13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.548 -6.898 -14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.693 -8.666 -15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.048 -7.180 -16.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.164 -7.883 -15.239 1.00 0.00 H new ATOM 370 N GLU A 25 -1.459 -3.940 -9.526 1.00 0.00 N ATOM 371 CA GLU A 25 -2.687 -3.687 -8.782 1.00 0.00 C ATOM 372 C GLU A 25 -2.475 -2.579 -7.759 1.00 0.00 C ATOM 373 O GLU A 25 -3.394 -1.833 -7.426 1.00 0.00 O ATOM 374 CB GLU A 25 -3.156 -4.963 -8.079 1.00 0.00 C ATOM 375 CG GLU A 25 -3.223 -6.173 -8.997 1.00 0.00 C ATOM 376 CD GLU A 25 -4.593 -6.824 -9.008 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.600 -6.090 -8.934 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.657 -8.069 -9.093 1.00 0.00 O ATOM 0 H GLU A 25 -1.044 -4.857 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.454 -3.369 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.481 -5.182 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.142 -4.789 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.961 -5.870 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.480 -6.905 -8.681 1.00 0.00 H new ATOM 385 N ILE A 26 -1.256 -2.499 -7.248 1.00 0.00 N ATOM 386 CA ILE A 26 -0.903 -1.491 -6.263 1.00 0.00 C ATOM 387 C ILE A 26 -1.063 -0.092 -6.843 1.00 0.00 C ATOM 388 O ILE A 26 -1.558 0.813 -6.175 1.00 0.00 O ATOM 389 CB ILE A 26 0.544 -1.687 -5.758 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.573 -2.736 -4.645 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.133 -0.372 -5.263 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.922 -3.397 -4.469 1.00 0.00 C ATOM 0 H ILE A 26 -0.491 -3.124 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.582 -1.604 -5.418 1.00 0.00 H new ATOM 0 HB ILE A 26 1.154 -2.036 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.284 -2.265 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.172 -3.502 -4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.152 -0.538 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.143 0.352 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.526 0.013 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.866 -4.129 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.205 -3.898 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.668 -2.641 -4.222 1.00 0.00 H new ATOM 404 N GLN A 27 -0.616 0.081 -8.079 1.00 0.00 N ATOM 405 CA GLN A 27 -0.704 1.372 -8.744 1.00 0.00 C ATOM 406 C GLN A 27 -2.156 1.802 -8.908 1.00 0.00 C ATOM 407 O GLN A 27 -2.480 2.984 -8.785 1.00 0.00 O ATOM 408 CB GLN A 27 -0.020 1.313 -10.111 1.00 0.00 C ATOM 409 CG GLN A 27 1.409 0.801 -10.055 1.00 0.00 C ATOM 410 CD GLN A 27 2.416 1.826 -10.536 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.441 2.183 -11.715 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.252 2.308 -9.625 1.00 0.00 N ATOM 0 H GLN A 27 -0.189 -0.656 -8.640 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.195 2.108 -8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.602 0.670 -10.771 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.023 2.310 -10.553 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.648 0.515 -9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.493 -0.099 -10.665 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.196 1.984 -8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.950 3.002 -9.890 1.00 0.00 H new ATOM 421 N GLU A 28 -3.017 0.843 -9.228 1.00 0.00 N ATOM 422 CA GLU A 28 -4.431 1.134 -9.440 1.00 0.00 C ATOM 423 C GLU A 28 -5.170 1.319 -8.119 1.00 0.00 C ATOM 424 O GLU A 28 -6.246 1.916 -8.079 1.00 0.00 O ATOM 425 CB GLU A 28 -5.080 0.018 -10.259 1.00 0.00 C ATOM 426 CG GLU A 28 -5.353 -1.250 -9.470 1.00 0.00 C ATOM 427 CD GLU A 28 -6.133 -2.279 -10.266 1.00 0.00 C ATOM 428 OE1 GLU A 28 -5.544 -2.891 -11.183 1.00 0.00 O ATOM 429 OE2 GLU A 28 -7.331 -2.473 -9.973 1.00 0.00 O ATOM 0 H GLU A 28 -2.763 -0.138 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.501 2.071 -9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.019 0.385 -10.673 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.432 -0.223 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.406 -1.685 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.909 -0.998 -8.567 1.00 0.00 H new ATOM 436 N ARG A 29 -4.598 0.789 -7.045 1.00 0.00 N ATOM 437 CA ARG A 29 -5.217 0.880 -5.730 1.00 0.00 C ATOM 438 C ARG A 29 -4.762 2.138 -4.991 1.00 0.00 C ATOM 439 O ARG A 29 -5.324 2.494 -3.954 1.00 0.00 O ATOM 440 CB ARG A 29 -4.893 -0.370 -4.909 1.00 0.00 C ATOM 441 CG ARG A 29 -3.517 -0.337 -4.270 1.00 0.00 C ATOM 442 CD ARG A 29 -3.561 -0.766 -2.812 1.00 0.00 C ATOM 443 NE ARG A 29 -3.003 0.258 -1.932 1.00 0.00 N ATOM 444 CZ ARG A 29 -1.734 0.657 -1.974 1.00 0.00 C ATOM 445 NH1 ARG A 29 -0.891 0.113 -2.840 1.00 0.00 N ATOM 446 NH2 ARG A 29 -1.307 1.599 -1.146 1.00 0.00 N ATOM 0 H ARG A 29 -3.707 0.292 -7.059 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.297 0.945 -5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.644 -0.486 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.964 -1.246 -5.553 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.844 -0.993 -4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.108 0.671 -4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.592 -0.972 -2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.004 -1.695 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.621 0.692 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.214 -0.615 -3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.081 0.422 -2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.951 2.019 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.334 1.904 -1.179 1.00 0.00 H new ATOM 460 N ILE A 30 -3.730 2.796 -5.517 1.00 0.00 N ATOM 461 CA ILE A 30 -3.203 4.011 -4.897 1.00 0.00 C ATOM 462 C ILE A 30 -4.268 5.106 -4.826 1.00 0.00 C ATOM 463 O ILE A 30 -4.995 5.334 -5.793 1.00 0.00 O ATOM 464 CB ILE A 30 -1.975 4.553 -5.660 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.785 3.602 -5.492 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.616 5.961 -5.186 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.180 3.612 -4.103 1.00 0.00 C ATOM 0 H ILE A 30 -3.244 2.510 -6.367 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.900 3.737 -3.886 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.225 4.611 -6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.107 2.588 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.014 3.870 -6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.748 6.321 -5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.459 6.629 -5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.384 5.938 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.656 2.914 -4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.175 4.615 -3.868 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.935 3.314 -3.375 1.00 0.00 H new ATOM 479 N PRO A 31 -4.346 5.826 -3.690 1.00 0.00 N ATOM 480 CA PRO A 31 -5.300 6.924 -3.513 1.00 0.00 C ATOM 481 C PRO A 31 -5.221 7.942 -4.647 1.00 0.00 C ATOM 482 O PRO A 31 -4.200 8.606 -4.830 1.00 0.00 O ATOM 483 CB PRO A 31 -4.880 7.566 -2.182 1.00 0.00 C ATOM 484 CG PRO A 31 -3.536 6.998 -1.867 1.00 0.00 C ATOM 485 CD PRO A 31 -3.514 5.639 -2.492 1.00 0.00 C ATOM 0 HA PRO A 31 -6.331 6.570 -3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.836 8.652 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.597 7.337 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.741 7.627 -2.269 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.380 6.936 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.501 5.326 -2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.925 4.880 -1.827 1.00 0.00 H new ATOM 493 N GLU A 32 -6.302 8.042 -5.418 1.00 0.00 N ATOM 494 CA GLU A 32 -6.371 8.965 -6.550 1.00 0.00 C ATOM 495 C GLU A 32 -6.174 10.422 -6.126 1.00 0.00 C ATOM 496 O GLU A 32 -6.260 11.328 -6.956 1.00 0.00 O ATOM 497 CB GLU A 32 -7.715 8.817 -7.263 1.00 0.00 C ATOM 498 CG GLU A 32 -7.601 8.232 -8.661 1.00 0.00 C ATOM 499 CD GLU A 32 -8.777 8.598 -9.545 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.930 8.437 -9.094 1.00 0.00 O ATOM 501 OE2 GLU A 32 -8.544 9.043 -10.688 1.00 0.00 O ATOM 0 H GLU A 32 -7.149 7.491 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.557 8.706 -7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.366 8.181 -6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.193 9.794 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.680 8.585 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.528 7.147 -8.592 1.00 0.00 H new ATOM 508 N GLY A 33 -5.912 10.648 -4.843 1.00 0.00 N ATOM 509 CA GLY A 33 -5.735 12.004 -4.354 1.00 0.00 C ATOM 510 C GLY A 33 -4.335 12.536 -4.586 1.00 0.00 C ATOM 511 O GLY A 33 -4.164 13.682 -5.003 1.00 0.00 O ATOM 0 H GLY A 33 -5.819 9.920 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.454 12.659 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.957 12.032 -3.287 1.00 0.00 H new ATOM 515 N THR A 34 -3.329 11.711 -4.312 1.00 0.00 N ATOM 516 CA THR A 34 -1.940 12.119 -4.492 1.00 0.00 C ATOM 517 C THR A 34 -1.156 11.072 -5.284 1.00 0.00 C ATOM 518 O THR A 34 -1.639 10.560 -6.294 1.00 0.00 O ATOM 519 CB THR A 34 -1.284 12.363 -3.130 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.252 12.749 -2.170 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.216 13.436 -3.163 1.00 0.00 C ATOM 0 H THR A 34 -3.449 10.759 -3.966 1.00 0.00 H new ATOM 0 HA THR A 34 -1.927 13.048 -5.063 1.00 0.00 H new ATOM 0 HB THR A 34 -0.816 11.416 -2.861 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.883 13.455 -1.599 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.208 13.558 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.571 13.145 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.657 14.378 -3.488 1.00 0.00 H new ATOM 529 N GLU A 35 0.053 10.759 -4.822 1.00 0.00 N ATOM 530 CA GLU A 35 0.904 9.784 -5.494 1.00 0.00 C ATOM 531 C GLU A 35 1.528 8.826 -4.489 1.00 0.00 C ATOM 532 O GLU A 35 1.452 9.041 -3.279 1.00 0.00 O ATOM 533 CB GLU A 35 2.004 10.498 -6.282 1.00 0.00 C ATOM 534 CG GLU A 35 2.824 11.464 -5.442 1.00 0.00 C ATOM 535 CD GLU A 35 3.060 12.790 -6.140 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.885 12.830 -7.076 1.00 0.00 O ATOM 537 OE2 GLU A 35 2.421 13.788 -5.747 1.00 0.00 O ATOM 0 H GLU A 35 0.464 11.168 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 35 0.285 9.209 -6.182 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.670 9.753 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.551 11.043 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.312 11.642 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.785 11.007 -5.204 1.00 0.00 H new ATOM 544 N LEU A 36 2.145 7.768 -5.000 1.00 0.00 N ATOM 545 CA LEU A 36 2.780 6.768 -4.147 1.00 0.00 C ATOM 546 C LEU A 36 4.108 7.283 -3.597 1.00 0.00 C ATOM 547 O LEU A 36 4.479 8.435 -3.819 1.00 0.00 O ATOM 548 CB LEU A 36 3.007 5.460 -4.915 1.00 0.00 C ATOM 549 CG LEU A 36 2.794 5.538 -6.430 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.997 6.175 -7.108 1.00 0.00 C ATOM 551 CD2 LEU A 36 2.528 4.153 -7.002 1.00 0.00 C ATOM 0 H LEU A 36 2.220 7.579 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 36 2.108 6.573 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.025 5.120 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.338 4.701 -4.510 1.00 0.00 H new ATOM 0 HG LEU A 36 1.922 6.164 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.826 6.221 -8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.142 7.183 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.886 5.578 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.379 4.227 -8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.380 3.505 -6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.634 3.734 -6.540 1.00 0.00 H new ATOM 563 N HIS A 37 4.814 6.420 -2.868 1.00 0.00 N ATOM 564 CA HIS A 37 6.097 6.775 -2.273 1.00 0.00 C ATOM 565 C HIS A 37 7.151 5.721 -2.575 1.00 0.00 C ATOM 566 O HIS A 37 7.999 5.898 -3.450 1.00 0.00 O ATOM 567 CB HIS A 37 5.946 6.911 -0.758 1.00 0.00 C ATOM 568 CG HIS A 37 7.220 7.248 -0.047 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.724 8.526 -0.043 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.045 6.443 0.667 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.838 8.475 0.665 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.073 7.233 1.114 1.00 0.00 N ATOM 0 H HIS A 37 4.515 5.464 -2.676 1.00 0.00 H new ATOM 0 HA HIS A 37 6.417 7.724 -2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.207 7.684 -0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.554 5.976 -0.357 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.917 5.386 0.848 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.477 9.324 0.858 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.866 6.933 1.681 1.00 0.00 H new ATOM 580 N LYS A 38 7.073 4.619 -1.844 1.00 0.00 N ATOM 581 CA LYS A 38 8.020 3.527 -1.985 1.00 0.00 C ATOM 582 C LYS A 38 7.473 2.275 -1.301 1.00 0.00 C ATOM 583 O LYS A 38 7.015 2.332 -0.159 1.00 0.00 O ATOM 584 CB LYS A 38 9.373 3.940 -1.389 1.00 0.00 C ATOM 585 CG LYS A 38 10.040 2.867 -0.547 1.00 0.00 C ATOM 586 CD LYS A 38 10.653 1.788 -1.422 1.00 0.00 C ATOM 587 CE LYS A 38 12.117 1.560 -1.087 1.00 0.00 C ATOM 588 NZ LYS A 38 12.537 0.158 -1.358 1.00 0.00 N ATOM 0 H LYS A 38 6.353 4.458 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 38 8.166 3.299 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.045 4.217 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.230 4.830 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.813 3.317 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.308 2.421 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.101 0.857 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.559 2.072 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.734 2.243 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.290 1.794 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.542 0.044 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.966 -0.493 -0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.397 -0.058 -2.366 1.00 0.00 H new ATOM 602 N ILE A 39 7.486 1.155 -2.019 1.00 0.00 N ATOM 603 CA ILE A 39 6.928 -0.091 -1.503 1.00 0.00 C ATOM 604 C ILE A 39 7.977 -0.955 -0.806 1.00 0.00 C ATOM 605 O ILE A 39 9.175 -0.821 -1.053 1.00 0.00 O ATOM 606 CB ILE A 39 6.263 -0.902 -2.624 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.497 0.037 -3.564 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.337 -1.950 -2.026 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.531 -0.668 -4.491 1.00 0.00 C ATOM 0 H ILE A 39 7.876 1.085 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 39 6.179 0.192 -0.764 1.00 0.00 H new ATOM 0 HB ILE A 39 7.030 -1.415 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.945 0.762 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.214 0.598 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.869 -2.522 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.912 -2.622 -1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.566 -1.458 -1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.030 0.067 -5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.077 -1.373 -5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.789 -1.206 -3.902 1.00 0.00 H new ATOM 621 N ASP A 40 7.509 -1.851 0.061 1.00 0.00 N ATOM 622 CA ASP A 40 8.392 -2.733 0.819 1.00 0.00 C ATOM 623 C ASP A 40 8.046 -4.200 0.597 1.00 0.00 C ATOM 624 O ASP A 40 6.889 -4.594 0.697 1.00 0.00 O ATOM 625 CB ASP A 40 8.277 -2.420 2.307 1.00 0.00 C ATOM 626 CG ASP A 40 9.624 -2.380 3.003 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.624 -2.809 2.389 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.680 -1.918 4.162 1.00 0.00 O ATOM 0 H ASP A 40 6.517 -1.985 0.256 1.00 0.00 H new ATOM 0 HA ASP A 40 9.410 -2.561 0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.778 -1.459 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.648 -3.171 2.785 1.00 0.00 H new ATOM 633 N GLU A 41 9.057 -5.007 0.307 1.00 0.00 N ATOM 634 CA GLU A 41 8.864 -6.440 0.116 1.00 0.00 C ATOM 635 C GLU A 41 9.048 -7.181 1.437 1.00 0.00 C ATOM 636 O GLU A 41 10.060 -7.851 1.648 1.00 0.00 O ATOM 637 CB GLU A 41 9.846 -6.968 -0.929 1.00 0.00 C ATOM 638 CG GLU A 41 11.251 -6.423 -0.761 1.00 0.00 C ATOM 639 CD GLU A 41 12.299 -7.282 -1.442 1.00 0.00 C ATOM 640 OE1 GLU A 41 12.050 -7.730 -2.581 1.00 0.00 O ATOM 641 OE2 GLU A 41 13.367 -7.508 -0.835 1.00 0.00 O ATOM 0 H GLU A 41 10.022 -4.694 0.198 1.00 0.00 H new ATOM 0 HA GLU A 41 7.848 -6.612 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.877 -8.056 -0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.481 -6.711 -1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.295 -5.413 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.483 -6.349 0.302 1.00 0.00 H new ATOM 648 N GLU A 42 8.089 -7.017 2.341 1.00 0.00 N ATOM 649 CA GLU A 42 8.171 -7.643 3.654 1.00 0.00 C ATOM 650 C GLU A 42 7.258 -8.858 3.755 1.00 0.00 C ATOM 651 O GLU A 42 6.194 -8.893 3.146 1.00 0.00 O ATOM 652 CB GLU A 42 7.836 -6.629 4.744 1.00 0.00 C ATOM 653 CG GLU A 42 9.068 -6.078 5.443 1.00 0.00 C ATOM 654 CD GLU A 42 10.302 -6.077 4.560 1.00 0.00 C ATOM 655 OE1 GLU A 42 10.334 -5.297 3.585 1.00 0.00 O ATOM 656 OE2 GLU A 42 11.236 -6.855 4.844 1.00 0.00 O ATOM 0 H GLU A 42 7.249 -6.458 2.189 1.00 0.00 H new ATOM 0 HA GLU A 42 9.195 -7.990 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.275 -5.804 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.186 -7.099 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.865 -5.060 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.268 -6.671 6.336 1.00 0.00 H new ATOM 663 N PRO A 43 7.674 -9.878 4.526 1.00 0.00 N ATOM 664 CA PRO A 43 6.924 -11.116 4.680 1.00 0.00 C ATOM 665 C PRO A 43 5.919 -11.063 5.819 1.00 0.00 C ATOM 666 O PRO A 43 6.044 -10.258 6.742 1.00 0.00 O ATOM 667 CB PRO A 43 8.010 -12.156 4.966 1.00 0.00 C ATOM 668 CG PRO A 43 9.240 -11.391 5.374 1.00 0.00 C ATOM 669 CD PRO A 43 8.925 -9.918 5.284 1.00 0.00 C ATOM 0 HA PRO A 43 6.324 -11.335 3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.696 -12.836 5.758 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.207 -12.764 4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.534 -11.656 6.389 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.078 -11.642 4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.809 -9.472 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.718 -9.369 4.777 1.00 0.00 H new ATOM 677 N ILE A 44 4.912 -11.925 5.732 1.00 0.00 N ATOM 678 CA ILE A 44 3.851 -11.969 6.729 1.00 0.00 C ATOM 679 C ILE A 44 3.661 -13.379 7.280 1.00 0.00 C ATOM 680 O ILE A 44 4.183 -13.715 8.343 1.00 0.00 O ATOM 681 CB ILE A 44 2.518 -11.476 6.135 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.773 -10.347 5.130 1.00 0.00 C ATOM 683 CG2 ILE A 44 1.581 -11.016 7.243 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.374 -9.102 5.753 1.00 0.00 C ATOM 0 H ILE A 44 4.809 -12.604 4.978 1.00 0.00 H new ATOM 0 HA ILE A 44 4.151 -11.310 7.543 1.00 0.00 H new ATOM 0 HB ILE A 44 2.040 -12.302 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.441 -10.711 4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.832 -10.083 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.644 -10.671 6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.382 -11.847 7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.046 -10.200 7.797 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.526 -8.347 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.697 -8.713 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.331 -9.350 6.212 1.00 0.00 H new ATOM 696 N ALA A 45 2.892 -14.191 6.561 1.00 0.00 N ATOM 697 CA ALA A 45 2.623 -15.563 6.977 1.00 0.00 C ATOM 698 C ALA A 45 3.888 -16.416 6.913 1.00 0.00 C ATOM 699 O ALA A 45 4.998 -15.908 7.068 1.00 0.00 O ATOM 700 CB ALA A 45 1.522 -16.168 6.116 1.00 0.00 C ATOM 0 H ALA A 45 2.443 -13.922 5.686 1.00 0.00 H new ATOM 0 HA ALA A 45 2.286 -15.545 8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.331 -17.192 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.611 -15.578 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.835 -16.167 5.072 1.00 0.00 H new ATOM 706 N PHE A 46 3.714 -17.713 6.675 1.00 0.00 N ATOM 707 CA PHE A 46 4.843 -18.631 6.592 1.00 0.00 C ATOM 708 C PHE A 46 5.633 -18.405 5.307 1.00 0.00 C ATOM 709 O PHE A 46 6.841 -18.636 5.263 1.00 0.00 O ATOM 710 CB PHE A 46 4.351 -20.079 6.660 1.00 0.00 C ATOM 711 CG PHE A 46 4.184 -20.602 8.063 1.00 0.00 C ATOM 712 CD1 PHE A 46 3.701 -19.783 9.073 1.00 0.00 C ATOM 713 CD2 PHE A 46 4.502 -21.916 8.367 1.00 0.00 C ATOM 714 CE1 PHE A 46 3.548 -20.264 10.360 1.00 0.00 C ATOM 715 CE2 PHE A 46 4.349 -22.401 9.652 1.00 0.00 C ATOM 716 CZ PHE A 46 3.872 -21.575 10.649 1.00 0.00 C ATOM 0 H PHE A 46 2.803 -18.150 6.537 1.00 0.00 H new ATOM 0 HA PHE A 46 5.503 -18.439 7.438 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.396 -20.153 6.139 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.055 -20.717 6.126 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.442 -18.758 8.851 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.874 -22.569 7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.175 -19.615 11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.603 -23.427 9.876 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.752 -21.953 11.654 1.00 0.00 H new ATOM 726 N GLY A 47 4.948 -17.931 4.271 1.00 0.00 N ATOM 727 CA GLY A 47 5.607 -17.677 3.001 1.00 0.00 C ATOM 728 C GLY A 47 4.932 -16.587 2.187 1.00 0.00 C ATOM 729 O GLY A 47 5.304 -16.348 1.038 1.00 0.00 O ATOM 0 H GLY A 47 3.951 -17.718 4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.643 -17.395 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.627 -18.598 2.418 1.00 0.00 H new ATOM 733 N LEU A 48 3.930 -15.934 2.770 1.00 0.00 N ATOM 734 CA LEU A 48 3.206 -14.874 2.076 1.00 0.00 C ATOM 735 C LEU A 48 3.809 -13.506 2.381 1.00 0.00 C ATOM 736 O LEU A 48 3.628 -12.965 3.471 1.00 0.00 O ATOM 737 CB LEU A 48 1.722 -14.897 2.463 1.00 0.00 C ATOM 738 CG LEU A 48 1.114 -16.290 2.680 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.405 -16.205 2.756 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.535 -17.245 1.574 1.00 0.00 C ATOM 0 H LEU A 48 3.602 -16.120 3.718 1.00 0.00 H new ATOM 0 HA LEU A 48 3.294 -15.053 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.595 -14.318 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.154 -14.390 1.683 1.00 0.00 H new ATOM 0 HG LEU A 48 1.489 -16.678 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.818 -17.202 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.692 -15.561 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.793 -15.791 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.091 -18.225 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.195 -16.861 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.621 -17.335 1.565 1.00 0.00 H new ATOM 752 N VAL A 49 4.514 -12.945 1.401 1.00 0.00 N ATOM 753 CA VAL A 49 5.165 -11.649 1.564 1.00 0.00 C ATOM 754 C VAL A 49 4.281 -10.507 1.071 1.00 0.00 C ATOM 755 O VAL A 49 3.868 -10.480 -0.088 1.00 0.00 O ATOM 756 CB VAL A 49 6.512 -11.609 0.812 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.094 -10.202 0.790 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.494 -12.589 1.434 1.00 0.00 C ATOM 0 H VAL A 49 4.649 -13.370 0.484 1.00 0.00 H new ATOM 0 HA VAL A 49 5.342 -11.517 2.632 1.00 0.00 H new ATOM 0 HB VAL A 49 6.330 -11.906 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.042 -10.209 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.398 -9.528 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.258 -9.860 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.439 -12.550 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.662 -12.323 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.086 -13.598 1.378 1.00 0.00 H new ATOM 768 N ALA A 50 4.087 -9.515 1.932 1.00 0.00 N ATOM 769 CA ALA A 50 3.275 -8.352 1.604 1.00 0.00 C ATOM 770 C ALA A 50 4.130 -7.208 1.082 1.00 0.00 C ATOM 771 O ALA A 50 5.353 -7.212 1.219 1.00 0.00 O ATOM 772 CB ALA A 50 2.523 -7.883 2.835 1.00 0.00 C ATOM 0 H ALA A 50 4.486 -9.495 2.871 1.00 0.00 H new ATOM 0 HA ALA A 50 2.573 -8.647 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.918 -7.013 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.876 -8.684 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.235 -7.615 3.616 1.00 0.00 H new ATOM 778 N LEU A 51 3.466 -6.218 0.503 1.00 0.00 N ATOM 779 CA LEU A 51 4.138 -5.043 -0.022 1.00 0.00 C ATOM 780 C LEU A 51 3.621 -3.789 0.674 1.00 0.00 C ATOM 781 O LEU A 51 2.436 -3.468 0.593 1.00 0.00 O ATOM 782 CB LEU A 51 3.916 -4.941 -1.532 1.00 0.00 C ATOM 783 CG LEU A 51 4.897 -5.746 -2.388 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.744 -7.234 -2.116 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.688 -5.446 -3.864 1.00 0.00 C ATOM 0 H LEU A 51 2.453 -6.208 0.385 1.00 0.00 H new ATOM 0 HA LEU A 51 5.207 -5.133 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.903 -5.274 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.980 -3.892 -1.823 1.00 0.00 H new ATOM 0 HG LEU A 51 5.911 -5.451 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.449 -7.791 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.946 -7.434 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.727 -7.545 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.394 -6.027 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.670 -5.712 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.850 -4.384 -4.046 1.00 0.00 H new ATOM 797 N ASN A 52 4.515 -3.089 1.362 1.00 0.00 N ATOM 798 CA ASN A 52 4.145 -1.880 2.084 1.00 0.00 C ATOM 799 C ASN A 52 4.284 -0.665 1.184 1.00 0.00 C ATOM 800 O ASN A 52 5.346 -0.049 1.100 1.00 0.00 O ATOM 801 CB ASN A 52 5.018 -1.716 3.331 1.00 0.00 C ATOM 802 CG ASN A 52 5.352 -3.043 3.989 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.425 -3.207 4.570 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.430 -3.996 3.910 1.00 0.00 N ATOM 0 H ASN A 52 5.501 -3.339 1.435 1.00 0.00 H new ATOM 0 HA ASN A 52 3.104 -1.967 2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.943 -1.207 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.503 -1.078 4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.598 -4.905 4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.554 -3.818 3.419 1.00 0.00 H new ATOM 811 N VAL A 53 3.187 -0.324 0.527 1.00 0.00 N ATOM 812 CA VAL A 53 3.159 0.791 -0.403 1.00 0.00 C ATOM 813 C VAL A 53 2.863 2.105 0.308 1.00 0.00 C ATOM 814 O VAL A 53 1.709 2.423 0.595 1.00 0.00 O ATOM 815 CB VAL A 53 2.098 0.569 -1.496 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.317 1.529 -2.656 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.116 -0.875 -1.975 1.00 0.00 C ATOM 0 H VAL A 53 2.296 -0.810 0.623 1.00 0.00 H new ATOM 0 HA VAL A 53 4.148 0.847 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 53 1.116 0.771 -1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.558 1.357 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.245 2.556 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.305 1.363 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.359 -1.012 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.098 -1.110 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.903 -1.539 -1.137 1.00 0.00 H new ATOM 827 N MET A 54 3.910 2.890 0.530 1.00 0.00 N ATOM 828 CA MET A 54 3.773 4.185 1.179 1.00 0.00 C ATOM 829 C MET A 54 3.399 5.250 0.160 1.00 0.00 C ATOM 830 O MET A 54 3.489 5.023 -1.046 1.00 0.00 O ATOM 831 CB MET A 54 5.079 4.569 1.877 1.00 0.00 C ATOM 832 CG MET A 54 5.510 3.583 2.950 1.00 0.00 C ATOM 833 SD MET A 54 7.272 3.208 2.882 1.00 0.00 S ATOM 834 CE MET A 54 7.411 1.996 4.191 1.00 0.00 C ATOM 0 H MET A 54 4.866 2.650 0.268 1.00 0.00 H new ATOM 0 HA MET A 54 2.980 4.116 1.924 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.870 4.649 1.131 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.964 5.555 2.327 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.267 3.991 3.931 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.942 2.660 2.839 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.447 1.666 4.273 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.097 2.442 5.135 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.775 1.141 3.964 1.00 0.00 H new ATOM 844 N VAL A 55 2.948 6.401 0.647 1.00 0.00 N ATOM 845 CA VAL A 55 2.535 7.488 -0.233 1.00 0.00 C ATOM 846 C VAL A 55 2.997 8.844 0.301 1.00 0.00 C ATOM 847 O VAL A 55 2.891 9.121 1.496 1.00 0.00 O ATOM 848 CB VAL A 55 1.002 7.499 -0.427 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.485 6.093 -0.678 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.299 8.117 0.773 1.00 0.00 C ATOM 0 H VAL A 55 2.859 6.605 1.642 1.00 0.00 H new ATOM 0 HA VAL A 55 3.010 7.314 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 55 0.781 8.113 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.596 6.121 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.952 5.689 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.728 5.458 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.778 8.111 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.532 7.540 1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.640 9.144 0.905 1.00 0.00 H new ATOM 860 N VAL A 56 3.537 9.675 -0.587 1.00 0.00 N ATOM 861 CA VAL A 56 4.002 11.004 -0.202 1.00 0.00 C ATOM 862 C VAL A 56 2.941 12.060 -0.492 1.00 0.00 C ATOM 863 O VAL A 56 2.576 12.284 -1.645 1.00 0.00 O ATOM 864 CB VAL A 56 5.308 11.397 -0.923 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.363 11.829 0.085 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.824 10.254 -1.784 1.00 0.00 C ATOM 0 H VAL A 56 3.663 9.452 -1.574 1.00 0.00 H new ATOM 0 HA VAL A 56 4.197 10.961 0.870 1.00 0.00 H new ATOM 0 HB VAL A 56 5.091 12.239 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.278 12.103 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.998 12.687 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.570 11.007 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.745 10.559 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.021 9.385 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.076 9.997 -2.534 1.00 0.00 H new ATOM 876 N VAL A 57 2.453 12.712 0.560 1.00 0.00 N ATOM 877 CA VAL A 57 1.442 13.753 0.409 1.00 0.00 C ATOM 878 C VAL A 57 1.840 15.018 1.163 1.00 0.00 C ATOM 879 O VAL A 57 2.512 14.952 2.194 1.00 0.00 O ATOM 880 CB VAL A 57 0.056 13.278 0.897 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.315 11.955 0.246 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.023 13.159 2.414 1.00 0.00 C ATOM 0 H VAL A 57 2.741 12.538 1.523 1.00 0.00 H new ATOM 0 HA VAL A 57 1.376 13.977 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.681 14.025 0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.295 11.636 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.345 12.078 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.428 11.201 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.964 12.823 2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.773 12.438 2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.236 14.131 2.860 1.00 0.00 H new ATOM 892 N GLY A 58 1.433 16.167 0.636 1.00 0.00 N ATOM 893 CA GLY A 58 1.759 17.432 1.269 1.00 0.00 C ATOM 894 C GLY A 58 0.956 18.584 0.699 1.00 0.00 C ATOM 895 O GLY A 58 0.079 19.130 1.369 1.00 0.00 O ATOM 0 H GLY A 58 0.883 16.246 -0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.574 17.358 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.822 17.636 1.143 1.00 0.00 H new ATOM 899 N ASP A 59 1.248 18.946 -0.545 1.00 0.00 N ATOM 900 CA ASP A 59 0.540 20.032 -1.213 1.00 0.00 C ATOM 901 C ASP A 59 -0.787 19.540 -1.775 1.00 0.00 C ATOM 902 O ASP A 59 -1.585 20.322 -2.294 1.00 0.00 O ATOM 903 CB ASP A 59 1.400 20.616 -2.335 1.00 0.00 C ATOM 904 CG ASP A 59 0.894 21.963 -2.813 1.00 0.00 C ATOM 905 OD1 ASP A 59 0.474 22.775 -1.963 1.00 0.00 O ATOM 906 OD2 ASP A 59 0.923 22.207 -4.038 1.00 0.00 O ATOM 0 H ASP A 59 1.971 18.503 -1.112 1.00 0.00 H new ATOM 0 HA ASP A 59 0.339 20.813 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.427 20.721 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.419 19.920 -3.174 1.00 0.00 H new ATOM 911 N ALA A 60 -1.012 18.234 -1.674 1.00 0.00 N ATOM 912 CA ALA A 60 -2.241 17.623 -2.163 1.00 0.00 C ATOM 913 C ALA A 60 -3.446 18.062 -1.336 1.00 0.00 C ATOM 914 O ALA A 60 -3.477 19.170 -0.801 1.00 0.00 O ATOM 915 CB ALA A 60 -2.106 16.109 -2.150 1.00 0.00 C ATOM 0 H ALA A 60 -0.355 17.576 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.406 17.957 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.028 15.658 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.277 15.812 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.916 15.769 -1.132 1.00 0.00 H new ATOM 921 N GLU A 61 -4.436 17.179 -1.229 1.00 0.00 N ATOM 922 CA GLU A 61 -5.646 17.470 -0.470 1.00 0.00 C ATOM 923 C GLU A 61 -6.203 16.204 0.165 1.00 0.00 C ATOM 924 O GLU A 61 -5.527 15.177 0.223 1.00 0.00 O ATOM 925 CB GLU A 61 -6.705 18.104 -1.376 1.00 0.00 C ATOM 926 CG GLU A 61 -6.465 17.868 -2.858 1.00 0.00 C ATOM 927 CD GLU A 61 -7.311 18.769 -3.737 1.00 0.00 C ATOM 928 OE1 GLU A 61 -7.206 20.005 -3.595 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.080 18.238 -4.567 1.00 0.00 O ATOM 0 H GLU A 61 -4.422 16.255 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.387 18.173 0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.684 17.707 -1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.735 19.177 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.411 18.033 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.682 16.827 -3.096 1.00 0.00 H new ATOM 936 N GLY A 62 -7.447 16.279 0.626 1.00 0.00 N ATOM 937 CA GLY A 62 -8.083 15.122 1.224 1.00 0.00 C ATOM 938 C GLY A 62 -8.635 14.183 0.173 1.00 0.00 C ATOM 939 O GLY A 62 -9.440 13.302 0.474 1.00 0.00 O ATOM 0 H GLY A 62 -8.025 17.119 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.362 14.590 1.845 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.890 15.448 1.881 1.00 0.00 H new ATOM 943 N GLY A 63 -8.197 14.379 -1.068 1.00 0.00 N ATOM 944 CA GLY A 63 -8.652 13.541 -2.161 1.00 0.00 C ATOM 945 C GLY A 63 -8.103 12.133 -2.081 1.00 0.00 C ATOM 946 O GLY A 63 -8.456 11.276 -2.892 1.00 0.00 O ATOM 0 H GLY A 63 -7.533 15.106 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.741 13.503 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.353 13.991 -3.108 1.00 0.00 H new ATOM 950 N THR A 64 -7.240 11.886 -1.099 1.00 0.00 N ATOM 951 CA THR A 64 -6.655 10.563 -0.918 1.00 0.00 C ATOM 952 C THR A 64 -7.686 9.610 -0.330 1.00 0.00 C ATOM 953 O THR A 64 -7.422 8.420 -0.159 1.00 0.00 O ATOM 954 CB THR A 64 -5.425 10.631 -0.013 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.805 10.621 1.352 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.573 11.860 -0.246 1.00 0.00 C ATOM 0 H THR A 64 -6.932 12.582 -0.420 1.00 0.00 H new ATOM 0 HA THR A 64 -6.342 10.191 -1.894 1.00 0.00 H new ATOM 0 HB THR A 64 -4.834 9.750 -0.265 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.004 10.663 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.718 11.843 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.220 11.868 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.166 12.755 -0.058 1.00 0.00 H new ATOM 964 N GLU A 65 -8.863 10.148 -0.023 1.00 0.00 N ATOM 965 CA GLU A 65 -9.962 9.351 0.505 1.00 0.00 C ATOM 966 C GLU A 65 -10.271 8.194 -0.428 1.00 0.00 C ATOM 967 O GLU A 65 -10.808 7.165 -0.015 1.00 0.00 O ATOM 968 CB GLU A 65 -11.205 10.221 0.663 1.00 0.00 C ATOM 969 CG GLU A 65 -11.600 10.958 -0.606 1.00 0.00 C ATOM 970 CD GLU A 65 -13.091 10.904 -0.875 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.685 9.818 -0.704 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.663 11.945 -1.255 1.00 0.00 O ATOM 0 H GLU A 65 -9.079 11.139 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.668 8.955 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.038 9.595 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.030 10.948 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.287 11.999 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.066 10.526 -1.453 1.00 0.00 H new ATOM 979 N ALA A 66 -9.904 8.374 -1.688 1.00 0.00 N ATOM 980 CA ALA A 66 -10.143 7.367 -2.715 1.00 0.00 C ATOM 981 C ALA A 66 -9.517 6.031 -2.332 1.00 0.00 C ATOM 982 O ALA A 66 -9.996 4.976 -2.741 1.00 0.00 O ATOM 983 CB ALA A 66 -9.598 7.839 -4.054 1.00 0.00 C ATOM 0 H ALA A 66 -9.436 9.214 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.220 7.223 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.783 7.077 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.094 8.766 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.525 8.013 -3.969 1.00 0.00 H new ATOM 989 N ALA A 67 -8.477 6.081 -1.507 1.00 0.00 N ATOM 990 CA ALA A 67 -7.806 4.868 -1.060 1.00 0.00 C ATOM 991 C ALA A 67 -8.772 3.984 -0.284 1.00 0.00 C ATOM 992 O ALA A 67 -8.999 2.828 -0.646 1.00 0.00 O ATOM 993 CB ALA A 67 -6.596 5.212 -0.204 1.00 0.00 C ATOM 0 H ALA A 67 -8.082 6.945 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.462 4.320 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.107 4.294 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.895 5.809 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.917 5.780 0.669 1.00 0.00 H new ATOM 999 N GLU A 68 -9.370 4.547 0.761 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.343 3.820 1.565 1.00 0.00 C ATOM 1001 C GLU A 68 -11.508 3.353 0.698 1.00 0.00 C ATOM 1002 O GLU A 68 -12.087 2.294 0.936 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.859 4.702 2.702 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.756 5.262 3.585 1.00 0.00 C ATOM 1005 CD GLU A 68 -9.983 4.975 5.057 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -9.804 3.809 5.468 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.340 5.915 5.797 1.00 0.00 O ATOM 0 H GLU A 68 -9.197 5.504 1.070 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.851 2.946 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.430 5.529 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.547 4.122 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.800 4.837 3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.688 6.340 3.435 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.861 4.167 -0.295 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.939 3.829 -1.215 1.00 0.00 C ATOM 1016 C GLU A 69 -12.608 2.551 -1.971 1.00 0.00 C ATOM 1017 O GLU A 69 -13.410 1.617 -2.020 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.176 4.975 -2.200 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.628 5.417 -2.284 1.00 0.00 C ATOM 1020 CD GLU A 69 -14.789 6.774 -2.941 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -13.815 7.557 -2.935 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -15.889 7.056 -3.461 1.00 0.00 O ATOM 0 H GLU A 69 -11.415 5.065 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.849 3.669 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.562 5.827 -1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.841 4.666 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.197 4.676 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.052 5.451 -1.280 1.00 0.00 H new ATOM 1029 N SER A 70 -11.422 2.526 -2.570 1.00 0.00 N ATOM 1030 CA SER A 70 -10.960 1.362 -3.311 1.00 0.00 C ATOM 1031 C SER A 70 -10.800 0.169 -2.380 1.00 0.00 C ATOM 1032 O SER A 70 -10.798 -0.978 -2.823 1.00 0.00 O ATOM 1033 CB SER A 70 -9.631 1.669 -4.006 1.00 0.00 C ATOM 1034 OG SER A 70 -8.532 1.297 -3.193 1.00 0.00 O ATOM 0 H SER A 70 -10.762 3.303 -2.555 1.00 0.00 H new ATOM 0 HA SER A 70 -11.704 1.116 -4.068 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.582 1.136 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.574 2.733 -4.235 1.00 0.00 H new ATOM 0 HG SER A 70 -8.587 1.766 -2.334 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.685 0.450 -1.086 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.525 -0.595 -0.083 1.00 0.00 C ATOM 1042 C LEU A 71 -11.834 -1.346 0.120 1.00 0.00 C ATOM 1043 O LEU A 71 -11.840 -2.526 0.473 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.064 0.016 1.243 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.649 -0.367 1.687 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.531 -1.874 1.853 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.618 0.148 0.694 1.00 0.00 C ATOM 0 H LEU A 71 -10.700 1.397 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.770 -1.299 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.120 1.102 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.764 -0.282 2.023 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.454 0.099 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.519 -2.127 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.242 -2.214 2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.748 -2.363 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.619 -0.134 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.809 -0.286 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.686 1.234 0.630 1.00 0.00 H new ATOM 1059 N SER A 72 -12.942 -0.654 -0.119 1.00 0.00 N ATOM 1060 CA SER A 72 -14.266 -1.246 0.019 1.00 0.00 C ATOM 1061 C SER A 72 -14.471 -2.368 -0.996 1.00 0.00 C ATOM 1062 O SER A 72 -15.412 -3.156 -0.888 1.00 0.00 O ATOM 1063 CB SER A 72 -15.338 -0.172 -0.163 1.00 0.00 C ATOM 1064 OG SER A 72 -16.438 -0.394 0.703 1.00 0.00 O ATOM 0 H SER A 72 -12.948 0.323 -0.411 1.00 0.00 H new ATOM 0 HA SER A 72 -14.349 -1.672 1.019 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.909 0.811 0.034 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.681 -0.169 -1.198 1.00 0.00 H new ATOM 0 HG SER A 72 -17.108 0.308 0.567 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.576 -2.436 -1.978 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.656 -3.465 -3.000 1.00 0.00 C ATOM 1072 C GLY A 73 -12.290 -3.812 -3.555 1.00 0.00 C ATOM 1073 O GLY A 73 -12.163 -4.261 -4.695 1.00 0.00 O ATOM 0 H GLY A 73 -12.792 -1.792 -2.084 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.116 -4.360 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.302 -3.124 -3.809 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.270 -3.592 -2.737 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.889 -3.855 -3.122 1.00 0.00 C ATOM 1079 C ILE A 74 -9.602 -5.359 -3.155 1.00 0.00 C ATOM 1080 O ILE A 74 -10.527 -6.171 -3.176 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.920 -3.144 -2.148 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.594 -2.818 -2.839 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.690 -3.979 -0.896 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -6.956 -1.539 -2.343 1.00 0.00 C ATOM 0 H ILE A 74 -11.375 -3.227 -1.790 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.735 -3.461 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.382 -2.205 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.900 -3.645 -2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.763 -2.738 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.005 -3.455 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.640 -4.140 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.260 -4.941 -1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.020 -1.369 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.632 -0.702 -2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.756 -1.623 -1.275 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.319 -5.720 -3.154 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.905 -7.120 -3.171 1.00 0.00 C ATOM 1098 C GLU A 75 -8.610 -7.913 -2.072 1.00 0.00 C ATOM 1099 O GLU A 75 -8.155 -7.949 -0.929 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.389 -7.209 -2.983 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.625 -7.477 -4.269 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.631 -6.287 -5.208 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -4.797 -5.377 -5.020 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -6.472 -6.265 -6.133 1.00 0.00 O ATOM 0 H GLU A 75 -7.545 -5.056 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.182 -7.550 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.031 -6.276 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.167 -8.001 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.595 -7.740 -4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.063 -8.337 -4.775 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.727 -8.543 -2.430 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.481 -9.329 -1.470 1.00 0.00 C ATOM 1113 C GLY A 76 -9.679 -10.494 -0.927 1.00 0.00 C ATOM 1114 O GLY A 76 -9.912 -10.951 0.191 1.00 0.00 O ATOM 0 H GLY A 76 -10.123 -8.522 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.793 -8.689 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.388 -9.704 -1.943 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.727 -10.966 -1.724 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.864 -12.068 -1.319 1.00 0.00 C ATOM 1120 C VAL A 77 -6.642 -11.537 -0.586 1.00 0.00 C ATOM 1121 O VAL A 77 -6.198 -12.108 0.409 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.420 -12.909 -2.534 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.239 -12.272 -3.255 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -7.085 -14.329 -2.105 1.00 0.00 C ATOM 0 H VAL A 77 -8.534 -10.601 -2.657 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.436 -12.711 -0.650 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.253 -12.944 -3.236 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.954 -12.892 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.520 -11.280 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.396 -12.188 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.774 -14.908 -2.975 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.276 -14.307 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.965 -14.791 -1.657 1.00 0.00 H new ATOM 1134 N SER A 78 -6.136 -10.412 -1.068 1.00 0.00 N ATOM 1135 CA SER A 78 -4.979 -9.773 -0.471 1.00 0.00 C ATOM 1136 C SER A 78 -5.417 -8.672 0.483 1.00 0.00 C ATOM 1137 O SER A 78 -5.593 -7.522 0.076 1.00 0.00 O ATOM 1138 CB SER A 78 -4.083 -9.189 -1.568 1.00 0.00 C ATOM 1139 OG SER A 78 -4.188 -9.939 -2.766 1.00 0.00 O ATOM 0 H SER A 78 -6.514 -9.921 -1.878 1.00 0.00 H new ATOM 0 HA SER A 78 -4.417 -10.519 0.091 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.364 -8.153 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.047 -9.181 -1.230 1.00 0.00 H new ATOM 0 HG SER A 78 -3.496 -9.647 -3.396 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.617 -9.027 1.750 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.014 -8.033 2.742 1.00 0.00 C ATOM 1147 C ASN A 79 -4.812 -7.217 3.141 1.00 0.00 C ATOM 1148 O ASN A 79 -3.719 -7.747 3.344 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.638 -8.665 3.986 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.665 -7.751 4.648 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -8.794 -8.168 4.905 1.00 0.00 O ATOM 1152 ND2 ASN A 79 -7.288 -6.495 4.932 1.00 0.00 N ATOM 0 H ASN A 79 -5.513 -9.976 2.109 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.773 -7.399 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.116 -9.606 3.712 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.852 -8.903 4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.945 -5.853 5.375 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.344 -6.182 4.705 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.018 -5.925 3.239 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.943 -5.018 3.540 1.00 0.00 C ATOM 1161 C ILE A 80 -3.951 -4.573 4.991 1.00 0.00 C ATOM 1162 O ILE A 80 -5.007 -4.403 5.602 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.043 -3.774 2.652 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.237 -4.172 1.189 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.814 -2.913 2.820 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.623 -3.879 0.663 1.00 0.00 C ATOM 0 H ILE A 80 -5.927 -5.479 3.113 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.015 -5.557 3.350 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.913 -3.193 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.506 -3.644 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.034 -5.237 1.081 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.897 -2.032 2.184 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.727 -2.602 3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.929 -3.483 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.689 -4.187 -0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.359 -4.428 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.823 -2.810 0.739 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.758 -4.330 5.515 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.609 -3.766 6.839 1.00 0.00 C ATOM 1180 C GLU A 81 -2.686 -2.261 6.688 1.00 0.00 C ATOM 1181 O GLU A 81 -1.676 -1.557 6.732 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.276 -4.183 7.468 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.178 -3.868 8.951 1.00 0.00 C ATOM 1184 CD GLU A 81 -0.582 -5.009 9.753 1.00 0.00 C ATOM 1185 OE1 GLU A 81 0.416 -5.600 9.292 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -1.113 -5.309 10.843 1.00 0.00 O ATOM 0 H GLU A 81 -1.877 -4.518 5.036 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.394 -4.130 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.134 -5.254 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.463 -3.680 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.569 -2.975 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.172 -3.639 9.336 1.00 0.00 H new ATOM 1193 N VAL A 82 -3.891 -1.801 6.386 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.139 -0.404 6.091 1.00 0.00 C ATOM 1195 C VAL A 82 -4.254 0.414 7.374 1.00 0.00 C ATOM 1196 O VAL A 82 -5.235 1.124 7.602 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.422 -0.266 5.243 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.681 1.191 4.887 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.319 -1.110 3.985 1.00 0.00 C ATOM 0 H VAL A 82 -4.723 -2.389 6.339 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.294 -0.015 5.522 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.263 -0.626 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.590 1.264 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.800 1.773 5.801 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.839 1.581 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.231 -1.002 3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.466 -0.779 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.186 -2.157 4.259 1.00 0.00 H new ATOM 1209 N THR A 83 -3.256 0.263 8.233 1.00 0.00 N ATOM 1210 CA THR A 83 -3.214 0.989 9.491 1.00 0.00 C ATOM 1211 C THR A 83 -1.841 1.616 9.725 1.00 0.00 C ATOM 1212 O THR A 83 -1.576 2.141 10.807 1.00 0.00 O ATOM 1213 CB THR A 83 -3.561 0.053 10.650 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.549 -0.884 10.258 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.074 0.779 11.873 1.00 0.00 C ATOM 0 H THR A 83 -2.462 -0.359 8.079 1.00 0.00 H new ATOM 0 HA THR A 83 -3.950 1.791 9.439 1.00 0.00 H new ATOM 0 HB THR A 83 -2.627 -0.444 10.910 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.757 -1.475 11.012 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.301 0.056 12.657 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.314 1.474 12.229 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.978 1.331 11.616 1.00 0.00 H new ATOM 1223 N ASP A 84 -0.936 1.488 8.752 1.00 0.00 N ATOM 1224 CA ASP A 84 0.404 2.029 8.907 1.00 0.00 C ATOM 1225 C ASP A 84 0.456 3.496 8.507 1.00 0.00 C ATOM 1226 O ASP A 84 -0.206 3.918 7.558 1.00 0.00 O ATOM 1227 CB ASP A 84 1.403 1.211 8.094 1.00 0.00 C ATOM 1228 CG ASP A 84 1.635 -0.166 8.683 1.00 0.00 C ATOM 1229 OD1 ASP A 84 0.802 -1.064 8.440 1.00 0.00 O ATOM 1230 OD2 ASP A 84 2.649 -0.345 9.391 1.00 0.00 O ATOM 0 H ASP A 84 -1.109 1.020 7.862 1.00 0.00 H new ATOM 0 HA ASP A 84 0.676 1.964 9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.039 1.110 7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.351 1.746 8.043 1.00 0.00 H new