USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 596 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 6 THR OG1 : rot -33:sc= 0.2 USER MOD Single : A 8 TYR OH : rot 66:sc= 1.27 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= 0.989 F(o=0,f=0.99) USER MOD Single : A 46 ASN : amide:sc= -3.34! C(o=-3.3!,f=-5.7!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.42 K(o=-1.4,f=-2!) USER MOD Single : A 80 THR OG1 : rot -40:sc= 0.0392 USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= -0.336 (180deg=-0.652) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 141 TYR OH : rot 180:sc= -0.0024 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= -0.374 USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N THR A 6 -6.081 -18.207 -3.926 1.00 0.00 N ATOM 93 CA THR A 6 -6.405 -17.961 -2.523 1.00 0.00 C ATOM 94 C THR A 6 -6.413 -16.466 -2.227 1.00 0.00 C ATOM 95 O THR A 6 -6.035 -15.653 -3.069 1.00 0.00 O ATOM 96 CB THR A 6 -5.401 -18.668 -1.613 1.00 0.00 C ATOM 97 OG1 THR A 6 -4.073 -18.378 -2.010 1.00 0.00 O ATOM 98 CG2 THR A 6 -5.559 -20.173 -1.602 1.00 0.00 C ATOM 0 HA THR A 6 -7.401 -18.360 -2.328 1.00 0.00 H new ATOM 0 HB THR A 6 -5.605 -18.291 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.038 -18.272 -2.984 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.816 -20.612 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.558 -20.431 -1.251 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.417 -20.561 -2.611 1.00 0.00 H new ATOM 106 N TRP A 7 -6.863 -16.111 -1.025 1.00 0.00 N ATOM 107 CA TRP A 7 -6.936 -14.712 -0.619 1.00 0.00 C ATOM 108 C TRP A 7 -6.191 -14.468 0.690 1.00 0.00 C ATOM 109 O TRP A 7 -5.875 -15.405 1.424 1.00 0.00 O ATOM 110 CB TRP A 7 -8.396 -14.283 -0.472 1.00 0.00 C ATOM 111 CG TRP A 7 -9.167 -15.122 0.500 1.00 0.00 C ATOM 112 CD1 TRP A 7 -9.546 -14.774 1.764 1.00 0.00 C ATOM 113 CD2 TRP A 7 -9.654 -16.453 0.287 1.00 0.00 C ATOM 114 NE1 TRP A 7 -10.237 -15.805 2.351 1.00 0.00 N ATOM 115 CE2 TRP A 7 -10.317 -16.847 1.464 1.00 0.00 C ATOM 116 CE3 TRP A 7 -9.593 -17.349 -0.784 1.00 0.00 C ATOM 117 CZ2 TRP A 7 -10.916 -18.097 1.599 1.00 0.00 C ATOM 118 CZ3 TRP A 7 -10.187 -18.590 -0.650 1.00 0.00 C ATOM 119 CH2 TRP A 7 -10.841 -18.954 0.534 1.00 0.00 C ATOM 0 H TRP A 7 -7.182 -16.773 -0.317 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.457 -14.116 -1.396 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -8.431 -13.242 -0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -8.881 -14.331 -1.447 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.333 -13.825 2.234 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.627 -15.797 3.293 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -9.091 -17.076 -1.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.421 -18.380 2.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.146 -19.290 -1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.295 -19.931 0.608 1.00 0.00 H new ATOM 130 N TYR A 8 -5.921 -13.199 0.973 1.00 0.00 N ATOM 131 CA TYR A 8 -5.221 -12.815 2.195 1.00 0.00 C ATOM 132 C TYR A 8 -5.561 -11.380 2.585 1.00 0.00 C ATOM 133 O TYR A 8 -5.957 -10.574 1.744 1.00 0.00 O ATOM 134 CB TYR A 8 -3.708 -12.967 2.016 1.00 0.00 C ATOM 135 CG TYR A 8 -3.177 -12.339 0.749 1.00 0.00 C ATOM 136 CD1 TYR A 8 -3.153 -13.049 -0.445 1.00 0.00 C ATOM 137 CD2 TYR A 8 -2.694 -11.036 0.746 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.665 -12.479 -1.606 1.00 0.00 C ATOM 139 CE2 TYR A 8 -2.204 -10.459 -0.409 1.00 0.00 C ATOM 140 CZ TYR A 8 -2.191 -11.184 -1.582 1.00 0.00 C ATOM 141 OH TYR A 8 -1.704 -10.612 -2.736 1.00 0.00 O ATOM 0 H TYR A 8 -6.177 -12.416 0.372 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.549 -13.478 2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.204 -12.518 2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.456 -14.028 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.522 -14.064 -0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.702 -10.465 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.655 -13.044 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.833 -9.445 -0.394 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.432 -10.511 -3.384 1.00 0.00 H new ATOM 151 N THR A 9 -5.402 -11.069 3.868 1.00 0.00 N ATOM 152 CA THR A 9 -5.690 -9.732 4.375 1.00 0.00 C ATOM 153 C THR A 9 -4.784 -9.395 5.554 1.00 0.00 C ATOM 154 O THR A 9 -4.361 -10.284 6.292 1.00 0.00 O ATOM 155 CB THR A 9 -7.157 -9.628 4.797 1.00 0.00 C ATOM 156 OG1 THR A 9 -7.415 -10.454 5.918 1.00 0.00 O ATOM 157 CG2 THR A 9 -8.124 -10.023 3.702 1.00 0.00 C ATOM 0 H THR A 9 -5.075 -11.726 4.576 1.00 0.00 H new ATOM 0 HA THR A 9 -5.499 -9.016 3.575 1.00 0.00 H new ATOM 0 HB THR A 9 -7.316 -8.577 5.037 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.357 -10.373 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.146 -9.927 4.067 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.984 -9.371 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.939 -11.057 3.409 1.00 0.00 H new ATOM 165 N GLY A 10 -4.485 -8.110 5.729 1.00 0.00 N ATOM 166 CA GLY A 10 -3.626 -7.706 6.826 1.00 0.00 C ATOM 167 C GLY A 10 -3.580 -6.205 7.028 1.00 0.00 C ATOM 168 O GLY A 10 -4.433 -5.471 6.530 1.00 0.00 O ATOM 0 H GLY A 10 -4.819 -7.349 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.974 -8.179 7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.616 -8.072 6.642 1.00 0.00 H new ATOM 172 N ALA A 11 -2.566 -5.756 7.762 1.00 0.00 N ATOM 173 CA ALA A 11 -2.384 -4.337 8.038 1.00 0.00 C ATOM 174 C ALA A 11 -0.935 -3.925 7.796 1.00 0.00 C ATOM 175 O ALA A 11 -0.027 -4.752 7.891 1.00 0.00 O ATOM 176 CB ALA A 11 -2.797 -4.019 9.467 1.00 0.00 C ATOM 0 H ALA A 11 -1.856 -6.359 8.177 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.019 -3.769 7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.655 -2.955 9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.847 -4.277 9.608 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.185 -4.597 10.160 1.00 0.00 H new ATOM 182 N LYS A 12 -0.717 -2.654 7.475 1.00 0.00 N ATOM 183 CA LYS A 12 0.633 -2.168 7.212 1.00 0.00 C ATOM 184 C LYS A 12 0.883 -0.814 7.866 1.00 0.00 C ATOM 185 O LYS A 12 -0.029 -0.001 8.017 1.00 0.00 O ATOM 186 CB LYS A 12 0.872 -2.066 5.705 1.00 0.00 C ATOM 187 CG LYS A 12 -0.237 -1.341 4.960 1.00 0.00 C ATOM 188 CD LYS A 12 0.074 0.139 4.802 1.00 0.00 C ATOM 189 CE LYS A 12 1.167 0.373 3.773 1.00 0.00 C ATOM 190 NZ LYS A 12 1.713 1.756 3.846 1.00 0.00 N ATOM 0 H LYS A 12 -1.449 -1.948 7.391 1.00 0.00 H new ATOM 0 HA LYS A 12 1.331 -2.885 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.815 -1.548 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.978 -3.070 5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.372 -1.793 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.177 -1.461 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.829 0.671 4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.383 0.551 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.973 -0.344 3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.770 0.192 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.456 1.874 3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.950 2.440 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.115 1.921 4.791 1.00 0.00 H new ATOM 204 N LEU A 13 2.137 -0.581 8.239 1.00 0.00 N ATOM 205 CA LEU A 13 2.541 0.673 8.865 1.00 0.00 C ATOM 206 C LEU A 13 3.987 0.988 8.500 1.00 0.00 C ATOM 207 O LEU A 13 4.881 0.170 8.721 1.00 0.00 O ATOM 208 CB LEU A 13 2.387 0.586 10.386 1.00 0.00 C ATOM 209 CG LEU A 13 3.059 -0.624 11.036 1.00 0.00 C ATOM 210 CD1 LEU A 13 3.521 -0.284 12.445 1.00 0.00 C ATOM 211 CD2 LEU A 13 2.108 -1.811 11.058 1.00 0.00 C ATOM 0 H LEU A 13 2.897 -1.250 8.117 1.00 0.00 H new ATOM 0 HA LEU A 13 1.897 1.473 8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.798 1.493 10.830 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.324 0.566 10.628 1.00 0.00 H new ATOM 0 HG LEU A 13 3.933 -0.893 10.444 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.997 -1.157 12.892 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.235 0.538 12.405 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.662 0.010 13.048 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.601 -2.664 11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.216 -1.552 11.628 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.824 -2.069 10.038 1.00 0.00 H new ATOM 556 N ALA A 37 -0.109 4.633 8.944 1.00 0.00 N ATOM 557 CA ALA A 37 -0.693 3.313 9.147 1.00 0.00 C ATOM 558 C ALA A 37 -1.857 3.072 8.191 1.00 0.00 C ATOM 559 O ALA A 37 -2.453 4.016 7.670 1.00 0.00 O ATOM 560 CB ALA A 37 -1.152 3.154 10.588 1.00 0.00 C ATOM 0 HA ALA A 37 0.075 2.569 8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.586 2.163 10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.299 3.272 11.257 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.900 3.913 10.817 1.00 0.00 H new ATOM 566 N GLY A 38 -2.173 1.801 7.965 1.00 0.00 N ATOM 567 CA GLY A 38 -3.265 1.464 7.069 1.00 0.00 C ATOM 568 C GLY A 38 -3.582 -0.018 7.040 1.00 0.00 C ATOM 569 O GLY A 38 -3.005 -0.803 7.793 1.00 0.00 O ATOM 0 H GLY A 38 -1.696 1.002 8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.157 2.013 7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.014 1.794 6.061 1.00 0.00 H new ATOM 573 N ALA A 39 -4.500 -0.397 6.156 1.00 0.00 N ATOM 574 CA ALA A 39 -4.899 -1.792 6.014 1.00 0.00 C ATOM 575 C ALA A 39 -4.869 -2.212 4.550 1.00 0.00 C ATOM 576 O ALA A 39 -5.003 -1.375 3.658 1.00 0.00 O ATOM 577 CB ALA A 39 -6.286 -2.009 6.600 1.00 0.00 C ATOM 0 H ALA A 39 -4.982 0.244 5.526 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.189 -2.410 6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.569 -3.055 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.279 -1.748 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.005 -1.379 6.076 1.00 0.00 H new ATOM 583 N PHE A 40 -4.684 -3.504 4.298 1.00 0.00 N ATOM 584 CA PHE A 40 -4.632 -3.994 2.926 1.00 0.00 C ATOM 585 C PHE A 40 -4.921 -5.488 2.839 1.00 0.00 C ATOM 586 O PHE A 40 -4.865 -6.210 3.835 1.00 0.00 O ATOM 587 CB PHE A 40 -3.261 -3.691 2.312 1.00 0.00 C ATOM 588 CG PHE A 40 -2.145 -4.524 2.880 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.578 -4.207 4.103 1.00 0.00 C ATOM 590 CD2 PHE A 40 -1.665 -5.625 2.187 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.552 -4.971 4.626 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.639 -6.393 2.705 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.082 -6.066 3.926 1.00 0.00 C ATOM 0 H PHE A 40 -4.569 -4.221 5.014 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.409 -3.476 2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.311 -3.853 1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.029 -2.637 2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.942 -3.353 4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.097 -5.885 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.118 -4.713 5.581 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.273 -7.248 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.719 -6.665 4.333 1.00 0.00 H new ATOM 603 N GLY A 41 -5.223 -5.937 1.626 1.00 0.00 N ATOM 604 CA GLY A 41 -5.513 -7.336 1.386 1.00 0.00 C ATOM 605 C GLY A 41 -5.258 -7.710 -0.060 1.00 0.00 C ATOM 606 O GLY A 41 -5.188 -6.834 -0.921 1.00 0.00 O ATOM 0 H GLY A 41 -5.272 -5.347 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.897 -7.955 2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.553 -7.543 1.640 1.00 0.00 H new ATOM 610 N GLY A 42 -5.109 -8.999 -0.335 1.00 0.00 N ATOM 611 CA GLY A 42 -4.852 -9.420 -1.699 1.00 0.00 C ATOM 612 C GLY A 42 -5.219 -10.864 -1.970 1.00 0.00 C ATOM 613 O GLY A 42 -5.423 -11.652 -1.046 1.00 0.00 O ATOM 0 H GLY A 42 -5.160 -9.752 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.412 -8.778 -2.379 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.795 -9.275 -1.921 1.00 0.00 H new ATOM 617 N TYR A 43 -5.295 -11.204 -3.251 1.00 0.00 N ATOM 618 CA TYR A 43 -5.628 -12.556 -3.677 1.00 0.00 C ATOM 619 C TYR A 43 -4.497 -13.144 -4.510 1.00 0.00 C ATOM 620 O TYR A 43 -3.964 -12.482 -5.400 1.00 0.00 O ATOM 621 CB TYR A 43 -6.928 -12.556 -4.484 1.00 0.00 C ATOM 622 CG TYR A 43 -8.159 -12.258 -3.657 1.00 0.00 C ATOM 623 CD1 TYR A 43 -8.266 -11.074 -2.936 1.00 0.00 C ATOM 624 CD2 TYR A 43 -9.213 -13.160 -3.597 1.00 0.00 C ATOM 625 CE1 TYR A 43 -9.389 -10.799 -2.180 1.00 0.00 C ATOM 626 CE2 TYR A 43 -10.340 -12.892 -2.842 1.00 0.00 C ATOM 627 CZ TYR A 43 -10.422 -11.710 -2.136 1.00 0.00 C ATOM 628 OH TYR A 43 -11.543 -11.440 -1.385 1.00 0.00 O ATOM 0 H TYR A 43 -5.128 -10.554 -4.019 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.766 -13.172 -2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.850 -11.817 -5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.049 -13.529 -4.961 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.458 -10.358 -2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.152 -14.086 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.457 -9.874 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.151 -13.604 -2.805 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.176 -12.184 -1.463 1.00 0.00 H new ATOM 638 N GLN A 44 -4.138 -14.391 -4.228 1.00 0.00 N ATOM 639 CA GLN A 44 -3.076 -15.062 -4.964 1.00 0.00 C ATOM 640 C GLN A 44 -3.662 -15.896 -6.097 1.00 0.00 C ATOM 641 O GLN A 44 -4.537 -16.737 -5.873 1.00 0.00 O ATOM 642 CB GLN A 44 -2.256 -15.952 -4.027 1.00 0.00 C ATOM 643 CG GLN A 44 -1.024 -15.267 -3.461 1.00 0.00 C ATOM 644 CD GLN A 44 -0.585 -15.858 -2.136 1.00 0.00 C ATOM 645 OE1 GLN A 44 0.335 -16.815 -2.190 1.00 0.00 O flip ATOM 646 NE2 GLN A 44 -1.066 -15.461 -1.075 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.567 -14.957 -3.495 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.419 -14.303 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.890 -16.279 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.948 -16.847 -4.567 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.207 -15.346 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.231 -14.205 -3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.771 -14.723 -1.079 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.760 -15.869 -0.192 1.00 0.00 H new ATOM 655 N VAL A 45 -3.175 -15.655 -7.311 1.00 0.00 N ATOM 656 CA VAL A 45 -3.647 -16.378 -8.484 1.00 0.00 C ATOM 657 C VAL A 45 -2.778 -17.597 -8.760 1.00 0.00 C ATOM 658 O VAL A 45 -3.275 -18.655 -9.147 1.00 0.00 O ATOM 659 CB VAL A 45 -3.659 -15.478 -9.734 1.00 0.00 C ATOM 660 CG1 VAL A 45 -4.338 -16.184 -10.896 1.00 0.00 C ATOM 661 CG2 VAL A 45 -4.345 -14.154 -9.430 1.00 0.00 C ATOM 0 H VAL A 45 -2.452 -14.963 -7.507 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.666 -16.700 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.628 -15.271 -10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.336 -15.532 -11.769 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.800 -17.103 -11.128 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.366 -16.425 -10.625 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.345 -13.530 -10.324 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.373 -14.340 -9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.810 -13.642 -8.630 1.00 0.00 H new ATOM 671 N ASN A 46 -1.474 -17.438 -8.554 1.00 0.00 N ATOM 672 CA ASN A 46 -0.517 -18.513 -8.772 1.00 0.00 C ATOM 673 C ASN A 46 0.730 -18.291 -7.914 1.00 0.00 C ATOM 674 O ASN A 46 0.825 -17.298 -7.193 1.00 0.00 O ATOM 675 CB ASN A 46 -0.141 -18.596 -10.255 1.00 0.00 C ATOM 676 CG ASN A 46 -0.412 -19.966 -10.845 1.00 0.00 C ATOM 677 OD1 ASN A 46 -1.166 -20.759 -10.283 1.00 0.00 O ATOM 678 ND2 ASN A 46 0.206 -20.251 -11.987 1.00 0.00 N ATOM 0 H ASN A 46 -1.055 -16.565 -8.233 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.976 -19.457 -8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.703 -17.846 -10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.916 -18.355 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.063 -21.158 -12.432 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.823 -19.563 -12.418 1.00 0.00 H new ATOM 685 N PRO A 47 1.698 -19.221 -7.966 1.00 0.00 N ATOM 686 CA PRO A 47 2.931 -19.128 -7.174 1.00 0.00 C ATOM 687 C PRO A 47 3.761 -17.878 -7.475 1.00 0.00 C ATOM 688 O PRO A 47 4.567 -17.456 -6.646 1.00 0.00 O ATOM 689 CB PRO A 47 3.713 -20.386 -7.570 1.00 0.00 C ATOM 690 CG PRO A 47 2.694 -21.316 -8.128 1.00 0.00 C ATOM 691 CD PRO A 47 1.661 -20.447 -8.781 1.00 0.00 C ATOM 0 HA PRO A 47 2.703 -19.056 -6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.483 -20.156 -8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.217 -20.824 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.142 -22.000 -8.849 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.250 -21.927 -7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.904 -20.246 -9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.675 -20.912 -8.767 1.00 0.00 H new ATOM 699 N TYR A 48 3.590 -17.301 -8.663 1.00 0.00 N ATOM 700 CA TYR A 48 4.368 -16.120 -9.040 1.00 0.00 C ATOM 701 C TYR A 48 3.496 -14.957 -9.521 1.00 0.00 C ATOM 702 O TYR A 48 4.023 -13.917 -9.914 1.00 0.00 O ATOM 703 CB TYR A 48 5.376 -16.487 -10.129 1.00 0.00 C ATOM 704 CG TYR A 48 6.309 -17.610 -9.740 1.00 0.00 C ATOM 705 CD1 TYR A 48 5.944 -18.937 -9.923 1.00 0.00 C ATOM 706 CD2 TYR A 48 7.557 -17.343 -9.191 1.00 0.00 C ATOM 707 CE1 TYR A 48 6.794 -19.967 -9.568 1.00 0.00 C ATOM 708 CE2 TYR A 48 8.413 -18.367 -8.834 1.00 0.00 C ATOM 709 CZ TYR A 48 8.027 -19.677 -9.025 1.00 0.00 C ATOM 710 OH TYR A 48 8.877 -20.700 -8.670 1.00 0.00 O ATOM 0 H TYR A 48 2.931 -17.624 -9.372 1.00 0.00 H new ATOM 0 HA TYR A 48 4.884 -15.784 -8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.835 -16.772 -11.031 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.967 -15.605 -10.377 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.979 -19.168 -10.350 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.863 -16.318 -9.041 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.494 -20.994 -9.715 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.380 -18.143 -8.408 1.00 0.00 H new ATOM 0 HH TYR A 48 9.705 -20.325 -8.304 1.00 0.00 H new ATOM 720 N VAL A 49 2.178 -15.119 -9.500 1.00 0.00 N ATOM 721 CA VAL A 49 1.288 -14.051 -9.950 1.00 0.00 C ATOM 722 C VAL A 49 0.084 -13.891 -9.030 1.00 0.00 C ATOM 723 O VAL A 49 -0.745 -14.793 -8.914 1.00 0.00 O ATOM 724 CB VAL A 49 0.793 -14.300 -11.387 1.00 0.00 C ATOM 725 CG1 VAL A 49 1.957 -14.279 -12.366 1.00 0.00 C ATOM 726 CG2 VAL A 49 0.036 -15.617 -11.472 1.00 0.00 C ATOM 0 H VAL A 49 1.706 -15.965 -9.182 1.00 0.00 H new ATOM 0 HA VAL A 49 1.874 -13.132 -9.925 1.00 0.00 H new ATOM 0 HB VAL A 49 0.108 -13.497 -11.659 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.587 -14.457 -13.376 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.449 -13.307 -12.326 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.671 -15.058 -12.099 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.306 -15.775 -12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.694 -16.435 -11.179 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.824 -15.586 -10.803 1.00 0.00 H new ATOM 736 N GLY A 50 -0.010 -12.732 -8.380 1.00 0.00 N ATOM 737 CA GLY A 50 -1.120 -12.471 -7.484 1.00 0.00 C ATOM 738 C GLY A 50 -1.596 -11.033 -7.553 1.00 0.00 C ATOM 739 O GLY A 50 -1.049 -10.227 -8.306 1.00 0.00 O ATOM 0 H GLY A 50 0.664 -11.971 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.947 -13.136 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.820 -12.702 -6.462 1.00 0.00 H new ATOM 743 N PHE A 51 -2.614 -10.709 -6.765 1.00 0.00 N ATOM 744 CA PHE A 51 -3.161 -9.357 -6.733 1.00 0.00 C ATOM 745 C PHE A 51 -3.253 -8.851 -5.299 1.00 0.00 C ATOM 746 O PHE A 51 -3.400 -9.640 -4.366 1.00 0.00 O ATOM 747 CB PHE A 51 -4.544 -9.328 -7.389 1.00 0.00 C ATOM 748 CG PHE A 51 -4.808 -8.076 -8.176 1.00 0.00 C ATOM 749 CD1 PHE A 51 -4.054 -7.774 -9.298 1.00 0.00 C ATOM 750 CD2 PHE A 51 -5.812 -7.201 -7.793 1.00 0.00 C ATOM 751 CE1 PHE A 51 -4.295 -6.624 -10.024 1.00 0.00 C ATOM 752 CE2 PHE A 51 -6.058 -6.048 -8.515 1.00 0.00 C ATOM 753 CZ PHE A 51 -5.299 -5.759 -9.632 1.00 0.00 C ATOM 0 H PHE A 51 -3.079 -11.366 -6.138 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.492 -8.702 -7.291 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.642 -10.190 -8.049 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.306 -9.429 -6.616 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.268 -8.446 -9.609 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.409 -7.422 -6.921 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.700 -6.401 -10.897 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.843 -5.374 -8.206 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.490 -4.859 -10.198 1.00 0.00 H new ATOM 763 N GLU A 52 -3.158 -7.537 -5.121 1.00 0.00 N ATOM 764 CA GLU A 52 -3.224 -6.953 -3.788 1.00 0.00 C ATOM 765 C GLU A 52 -3.771 -5.529 -3.820 1.00 0.00 C ATOM 766 O GLU A 52 -3.414 -4.731 -4.687 1.00 0.00 O ATOM 767 CB GLU A 52 -1.839 -6.961 -3.138 1.00 0.00 C ATOM 768 CG GLU A 52 -1.835 -6.451 -1.707 1.00 0.00 C ATOM 769 CD GLU A 52 -0.548 -5.736 -1.347 1.00 0.00 C ATOM 770 OE1 GLU A 52 0.115 -5.207 -2.265 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.202 -5.704 -0.148 1.00 0.00 O ATOM 0 H GLU A 52 -3.036 -6.862 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.908 -7.562 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.446 -7.977 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.163 -6.348 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.676 -5.772 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.984 -7.289 -1.026 1.00 0.00 H new ATOM 778 N MET A 53 -4.630 -5.220 -2.854 1.00 0.00 N ATOM 779 CA MET A 53 -5.225 -3.894 -2.741 1.00 0.00 C ATOM 780 C MET A 53 -4.999 -3.341 -1.338 1.00 0.00 C ATOM 781 O MET A 53 -4.784 -4.103 -0.396 1.00 0.00 O ATOM 782 CB MET A 53 -6.722 -3.951 -3.050 1.00 0.00 C ATOM 783 CG MET A 53 -7.518 -4.789 -2.062 1.00 0.00 C ATOM 784 SD MET A 53 -8.856 -5.707 -2.847 1.00 0.00 S ATOM 785 CE MET A 53 -10.276 -4.752 -2.318 1.00 0.00 C ATOM 0 H MET A 53 -4.931 -5.876 -2.133 1.00 0.00 H new ATOM 0 HA MET A 53 -4.748 -3.234 -3.465 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.121 -2.937 -3.057 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.862 -4.356 -4.052 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.848 -5.488 -1.562 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.932 -4.139 -1.292 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.185 -5.196 -2.724 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.328 -4.750 -1.229 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.180 -3.728 -2.678 1.00 0.00 H new ATOM 795 N GLY A 54 -5.039 -2.020 -1.195 1.00 0.00 N ATOM 796 CA GLY A 54 -4.825 -1.425 0.111 1.00 0.00 C ATOM 797 C GLY A 54 -5.372 -0.016 0.233 1.00 0.00 C ATOM 798 O GLY A 54 -5.599 0.666 -0.768 1.00 0.00 O ATOM 0 H GLY A 54 -5.214 -1.358 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.292 -2.054 0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.756 -1.411 0.324 1.00 0.00 H new ATOM 802 N TYR A 55 -5.584 0.412 1.474 1.00 0.00 N ATOM 803 CA TYR A 55 -6.106 1.745 1.755 1.00 0.00 C ATOM 804 C TYR A 55 -5.678 2.207 3.146 1.00 0.00 C ATOM 805 O TYR A 55 -5.657 1.420 4.093 1.00 0.00 O ATOM 806 CB TYR A 55 -7.633 1.751 1.646 1.00 0.00 C ATOM 807 CG TYR A 55 -8.264 3.082 1.992 1.00 0.00 C ATOM 808 CD1 TYR A 55 -7.685 4.276 1.580 1.00 0.00 C ATOM 809 CD2 TYR A 55 -9.438 3.143 2.731 1.00 0.00 C ATOM 810 CE1 TYR A 55 -8.258 5.493 1.896 1.00 0.00 C ATOM 811 CE2 TYR A 55 -10.019 4.357 3.051 1.00 0.00 C ATOM 812 CZ TYR A 55 -9.424 5.528 2.631 1.00 0.00 C ATOM 813 OH TYR A 55 -9.999 6.738 2.946 1.00 0.00 O ATOM 0 H TYR A 55 -5.401 -0.149 2.306 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.697 2.436 1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.917 1.478 0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.038 0.985 2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.772 4.252 1.003 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.905 2.227 3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.795 6.412 1.569 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.933 4.387 3.626 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.816 6.587 3.466 1.00 0.00 H new ATOM 1136 N VAL A 77 -8.697 4.663 -2.472 1.00 0.00 N ATOM 1137 CA VAL A 77 -8.310 3.257 -2.413 1.00 0.00 C ATOM 1138 C VAL A 77 -7.162 2.966 -3.373 1.00 0.00 C ATOM 1139 O VAL A 77 -6.933 3.713 -4.325 1.00 0.00 O ATOM 1140 CB VAL A 77 -9.495 2.332 -2.753 1.00 0.00 C ATOM 1141 CG1 VAL A 77 -9.120 0.875 -2.526 1.00 0.00 C ATOM 1142 CG2 VAL A 77 -10.721 2.706 -1.934 1.00 0.00 C ATOM 0 HA VAL A 77 -7.988 3.059 -1.391 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.738 2.462 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.970 0.238 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.275 0.613 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.847 0.728 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.546 2.041 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.493 2.610 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.004 3.736 -2.152 1.00 0.00 H new ATOM 1152 N GLN A 78 -6.443 1.877 -3.122 1.00 0.00 N ATOM 1153 CA GLN A 78 -5.320 1.493 -3.971 1.00 0.00 C ATOM 1154 C GLN A 78 -5.455 0.043 -4.427 1.00 0.00 C ATOM 1155 O GLN A 78 -5.785 -0.842 -3.638 1.00 0.00 O ATOM 1156 CB GLN A 78 -4.000 1.684 -3.223 1.00 0.00 C ATOM 1157 CG GLN A 78 -2.782 1.691 -4.132 1.00 0.00 C ATOM 1158 CD GLN A 78 -1.559 1.084 -3.474 1.00 0.00 C ATOM 1159 OE1 GLN A 78 -1.551 0.827 -2.270 1.00 0.00 O ATOM 1160 NE2 GLN A 78 -0.516 0.850 -4.263 1.00 0.00 N ATOM 0 H GLN A 78 -6.617 1.246 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.326 2.135 -4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.037 2.623 -2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.890 0.887 -2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.011 1.139 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.560 2.716 -4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.566 1.079 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.335 0.442 -3.876 1.00 0.00 H new ATOM 1169 N LEU A 79 -5.181 -0.187 -5.708 1.00 0.00 N ATOM 1170 CA LEU A 79 -5.254 -1.525 -6.284 1.00 0.00 C ATOM 1171 C LEU A 79 -3.985 -1.817 -7.077 1.00 0.00 C ATOM 1172 O LEU A 79 -3.554 -1.000 -7.890 1.00 0.00 O ATOM 1173 CB LEU A 79 -6.481 -1.652 -7.189 1.00 0.00 C ATOM 1174 CG LEU A 79 -6.560 -0.627 -8.322 1.00 0.00 C ATOM 1175 CD1 LEU A 79 -5.861 -1.152 -9.566 1.00 0.00 C ATOM 1176 CD2 LEU A 79 -8.010 -0.282 -8.627 1.00 0.00 C ATOM 0 H LEU A 79 -4.905 0.540 -6.369 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.345 -2.250 -5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.491 -2.652 -7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.377 -1.562 -6.575 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.051 0.282 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.927 -0.410 -10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.813 -1.348 -9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.341 -2.075 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.048 0.448 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.543 -1.184 -8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.479 0.137 -7.737 1.00 0.00 H new ATOM 1188 N THR A 80 -3.378 -2.974 -6.831 1.00 0.00 N ATOM 1189 CA THR A 80 -2.148 -3.337 -7.527 1.00 0.00 C ATOM 1190 C THR A 80 -1.994 -4.850 -7.658 1.00 0.00 C ATOM 1191 O THR A 80 -2.761 -5.626 -7.087 1.00 0.00 O ATOM 1192 CB THR A 80 -0.934 -2.760 -6.790 1.00 0.00 C ATOM 1193 OG1 THR A 80 -0.539 -3.614 -5.730 1.00 0.00 O ATOM 1194 CG2 THR A 80 -1.175 -1.386 -6.201 1.00 0.00 C ATOM 0 H THR A 80 -3.712 -3.669 -6.163 1.00 0.00 H new ATOM 0 HA THR A 80 -2.205 -2.916 -8.531 1.00 0.00 H new ATOM 0 HB THR A 80 -0.156 -2.677 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.335 -3.970 -5.283 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.272 -1.043 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.432 -0.688 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.995 -1.436 -5.485 1.00 0.00 H new ATOM 1202 N ALA A 81 -0.969 -5.245 -8.406 1.00 0.00 N ATOM 1203 CA ALA A 81 -0.658 -6.654 -8.620 1.00 0.00 C ATOM 1204 C ALA A 81 0.596 -7.032 -7.843 1.00 0.00 C ATOM 1205 O ALA A 81 1.537 -6.243 -7.760 1.00 0.00 O ATOM 1206 CB ALA A 81 -0.475 -6.939 -10.104 1.00 0.00 C ATOM 0 H ALA A 81 -0.334 -4.602 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.490 -7.258 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.244 -7.995 -10.246 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.393 -6.694 -10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.343 -6.333 -10.493 1.00 0.00 H new ATOM 1212 N LYS A 82 0.611 -8.228 -7.264 1.00 0.00 N ATOM 1213 CA LYS A 82 1.759 -8.679 -6.486 1.00 0.00 C ATOM 1214 C LYS A 82 2.540 -9.764 -7.220 1.00 0.00 C ATOM 1215 O LYS A 82 1.976 -10.775 -7.640 1.00 0.00 O ATOM 1216 CB LYS A 82 1.301 -9.199 -5.121 1.00 0.00 C ATOM 1217 CG LYS A 82 1.409 -8.167 -4.010 1.00 0.00 C ATOM 1218 CD LYS A 82 1.910 -8.789 -2.717 1.00 0.00 C ATOM 1219 CE LYS A 82 2.897 -7.877 -2.006 1.00 0.00 C ATOM 1220 NZ LYS A 82 2.208 -6.792 -1.253 1.00 0.00 N ATOM 0 H LYS A 82 -0.155 -8.900 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 82 2.421 -7.824 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.266 -9.532 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.898 -10.071 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.086 -7.370 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.434 -7.710 -3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.065 -8.995 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.387 -9.745 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.505 -8.466 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.576 -7.437 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.911 -6.233 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.702 -6.174 -1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.529 -7.210 -0.585 1.00 0.00 H new ATOM 1234 N LEU A 83 3.843 -9.545 -7.363 1.00 0.00 N ATOM 1235 CA LEU A 83 4.717 -10.498 -8.035 1.00 0.00 C ATOM 1236 C LEU A 83 5.941 -10.796 -7.174 1.00 0.00 C ATOM 1237 O LEU A 83 6.797 -9.934 -6.976 1.00 0.00 O ATOM 1238 CB LEU A 83 5.155 -9.952 -9.396 1.00 0.00 C ATOM 1239 CG LEU A 83 4.014 -9.536 -10.325 1.00 0.00 C ATOM 1240 CD1 LEU A 83 4.533 -8.649 -11.446 1.00 0.00 C ATOM 1241 CD2 LEU A 83 3.317 -10.763 -10.892 1.00 0.00 C ATOM 0 H LEU A 83 4.319 -8.710 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 83 4.162 -11.424 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.803 -9.091 -9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.754 -10.711 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 83 3.289 -8.965 -9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.706 -8.363 -12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.986 -7.753 -11.021 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.279 -9.193 -12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.507 -10.450 -11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.033 -11.360 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.910 -11.360 -10.076 1.00 0.00 H new ATOM 1253 N GLY A 84 6.009 -12.016 -6.654 1.00 0.00 N ATOM 1254 CA GLY A 84 7.127 -12.393 -5.808 1.00 0.00 C ATOM 1255 C GLY A 84 7.725 -13.736 -6.176 1.00 0.00 C ATOM 1256 O GLY A 84 7.154 -14.486 -6.968 1.00 0.00 O ATOM 0 H GLY A 84 5.314 -12.748 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.900 -11.627 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.796 -12.422 -4.770 1.00 0.00 H new ATOM 1260 N TYR A 85 8.879 -14.038 -5.590 1.00 0.00 N ATOM 1261 CA TYR A 85 9.564 -15.299 -5.848 1.00 0.00 C ATOM 1262 C TYR A 85 9.806 -16.055 -4.542 1.00 0.00 C ATOM 1263 O TYR A 85 10.183 -15.459 -3.532 1.00 0.00 O ATOM 1264 CB TYR A 85 10.894 -15.046 -6.560 1.00 0.00 C ATOM 1265 CG TYR A 85 10.755 -14.848 -8.052 1.00 0.00 C ATOM 1266 CD1 TYR A 85 10.404 -13.611 -8.578 1.00 0.00 C ATOM 1267 CD2 TYR A 85 10.976 -15.896 -8.936 1.00 0.00 C ATOM 1268 CE1 TYR A 85 10.275 -13.425 -9.941 1.00 0.00 C ATOM 1269 CE2 TYR A 85 10.850 -15.719 -10.300 1.00 0.00 C ATOM 1270 CZ TYR A 85 10.499 -14.482 -10.797 1.00 0.00 C ATOM 1271 OH TYR A 85 10.373 -14.302 -12.156 1.00 0.00 O ATOM 0 H TYR A 85 9.360 -13.425 -4.932 1.00 0.00 H new ATOM 0 HA TYR A 85 8.929 -15.908 -6.492 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.366 -14.164 -6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.561 -15.888 -6.374 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.229 -12.781 -7.910 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.251 -16.866 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.000 -12.457 -10.333 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.025 -16.545 -10.973 1.00 0.00 H new ATOM 0 HH TYR A 85 10.566 -15.145 -12.617 1.00 0.00 H new ATOM 1281 N PRO A 86 9.585 -17.382 -4.543 1.00 0.00 N ATOM 1282 CA PRO A 86 9.773 -18.214 -3.358 1.00 0.00 C ATOM 1283 C PRO A 86 11.221 -18.660 -3.178 1.00 0.00 C ATOM 1284 O PRO A 86 11.667 -19.620 -3.805 1.00 0.00 O ATOM 1285 CB PRO A 86 8.878 -19.413 -3.650 1.00 0.00 C ATOM 1286 CG PRO A 86 8.926 -19.563 -5.133 1.00 0.00 C ATOM 1287 CD PRO A 86 9.124 -18.177 -5.699 1.00 0.00 C ATOM 0 HA PRO A 86 9.530 -17.684 -2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.241 -20.310 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.860 -19.242 -3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.741 -20.223 -5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.004 -20.007 -5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.860 -18.176 -6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.198 -17.779 -6.113 1.00 0.00 H new ATOM 1295 N ILE A 87 11.945 -17.966 -2.306 1.00 0.00 N ATOM 1296 CA ILE A 87 13.337 -18.302 -2.034 1.00 0.00 C ATOM 1297 C ILE A 87 13.422 -19.457 -1.043 1.00 0.00 C ATOM 1298 O ILE A 87 14.313 -20.301 -1.127 1.00 0.00 O ATOM 1299 CB ILE A 87 14.110 -17.094 -1.470 1.00 0.00 C ATOM 1300 CG1 ILE A 87 13.900 -15.866 -2.358 1.00 0.00 C ATOM 1301 CG2 ILE A 87 15.592 -17.422 -1.352 1.00 0.00 C ATOM 1302 CD1 ILE A 87 14.631 -14.634 -1.870 1.00 0.00 C ATOM 0 H ILE A 87 11.591 -17.169 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 87 13.791 -18.595 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 87 13.727 -16.869 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 87 14.232 -16.098 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.834 -15.647 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 87 16.125 -16.559 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 87 15.724 -18.272 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 87 15.989 -17.670 -2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 87 14.436 -13.803 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 87 14.282 -14.376 -0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 87 15.702 -14.834 -1.840 1.00 0.00 H new ATOM 1314 N THR A 88 12.476 -19.484 -0.111 1.00 0.00 N ATOM 1315 CA THR A 88 12.420 -20.533 0.900 1.00 0.00 C ATOM 1316 C THR A 88 10.972 -20.814 1.287 1.00 0.00 C ATOM 1317 O THR A 88 10.078 -20.025 0.976 1.00 0.00 O ATOM 1318 CB THR A 88 13.229 -20.126 2.133 1.00 0.00 C ATOM 1319 OG1 THR A 88 14.539 -19.733 1.765 1.00 0.00 O ATOM 1320 CG2 THR A 88 13.352 -21.231 3.159 1.00 0.00 C ATOM 0 H THR A 88 11.734 -18.788 -0.035 1.00 0.00 H new ATOM 0 HA THR A 88 12.854 -21.442 0.484 1.00 0.00 H new ATOM 0 HB THR A 88 12.679 -19.298 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.040 -19.475 2.566 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.937 -20.876 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 88 12.359 -21.523 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.849 -22.091 2.710 1.00 0.00 H new ATOM 1328 N ASP A 89 10.736 -21.938 1.953 1.00 0.00 N ATOM 1329 CA ASP A 89 9.386 -22.310 2.363 1.00 0.00 C ATOM 1330 C ASP A 89 8.775 -21.263 3.291 1.00 0.00 C ATOM 1331 O ASP A 89 7.553 -21.120 3.353 1.00 0.00 O ATOM 1332 CB ASP A 89 9.399 -23.673 3.055 1.00 0.00 C ATOM 1333 CG ASP A 89 9.849 -24.787 2.130 1.00 0.00 C ATOM 1334 OD1 ASP A 89 9.180 -25.008 1.098 1.00 0.00 O ATOM 1335 OD2 ASP A 89 10.869 -25.439 2.437 1.00 0.00 O ATOM 0 H ASP A 89 11.459 -22.606 2.220 1.00 0.00 H new ATOM 0 HA ASP A 89 8.771 -22.367 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.062 -23.632 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.400 -23.897 3.430 1.00 0.00 H new ATOM 1340 N ASP A 90 9.620 -20.547 4.025 1.00 0.00 N ATOM 1341 CA ASP A 90 9.140 -19.537 4.962 1.00 0.00 C ATOM 1342 C ASP A 90 9.508 -18.123 4.518 1.00 0.00 C ATOM 1343 O ASP A 90 8.761 -17.178 4.764 1.00 0.00 O ATOM 1344 CB ASP A 90 9.702 -19.802 6.359 1.00 0.00 C ATOM 1345 CG ASP A 90 9.093 -21.032 7.003 1.00 0.00 C ATOM 1346 OD1 ASP A 90 8.880 -22.033 6.288 1.00 0.00 O ATOM 1347 OD2 ASP A 90 8.827 -20.992 8.224 1.00 0.00 O ATOM 0 H ASP A 90 10.635 -20.646 3.990 1.00 0.00 H new ATOM 0 HA ASP A 90 8.052 -19.607 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.783 -19.926 6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.518 -18.934 6.993 1.00 0.00 H new ATOM 1352 N LEU A 91 10.665 -17.977 3.880 1.00 0.00 N ATOM 1353 CA LEU A 91 11.118 -16.663 3.431 1.00 0.00 C ATOM 1354 C LEU A 91 10.912 -16.477 1.929 1.00 0.00 C ATOM 1355 O LEU A 91 11.399 -17.267 1.121 1.00 0.00 O ATOM 1356 CB LEU A 91 12.595 -16.468 3.779 1.00 0.00 C ATOM 1357 CG LEU A 91 13.099 -15.027 3.678 1.00 0.00 C ATOM 1358 CD1 LEU A 91 14.188 -14.769 4.708 1.00 0.00 C ATOM 1359 CD2 LEU A 91 13.612 -14.740 2.274 1.00 0.00 C ATOM 0 H LEU A 91 11.302 -18.744 3.663 1.00 0.00 H new ATOM 0 HA LEU A 91 10.518 -15.914 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.764 -16.825 4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.194 -17.094 3.117 1.00 0.00 H new ATOM 0 HG LEU A 91 12.266 -14.355 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.534 -13.739 4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.789 -14.935 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 91 15.022 -15.448 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.967 -13.711 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.432 -15.419 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.805 -14.884 1.555 1.00 0.00 H new ATOM 1371 N ASP A 92 10.185 -15.422 1.568 1.00 0.00 N ATOM 1372 CA ASP A 92 9.911 -15.129 0.166 1.00 0.00 C ATOM 1373 C ASP A 92 10.097 -13.643 -0.136 1.00 0.00 C ATOM 1374 O ASP A 92 10.131 -12.812 0.771 1.00 0.00 O ATOM 1375 CB ASP A 92 8.489 -15.558 -0.197 1.00 0.00 C ATOM 1376 CG ASP A 92 8.189 -16.982 0.231 1.00 0.00 C ATOM 1377 OD1 ASP A 92 8.992 -17.882 -0.091 1.00 0.00 O ATOM 1378 OD2 ASP A 92 7.148 -17.195 0.890 1.00 0.00 O ATOM 0 H ASP A 92 9.777 -14.758 2.226 1.00 0.00 H new ATOM 0 HA ASP A 92 10.623 -15.692 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.776 -14.882 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.349 -15.468 -1.274 1.00 0.00 H new ATOM 1383 N ILE A 93 10.195 -13.322 -1.423 1.00 0.00 N ATOM 1384 CA ILE A 93 10.354 -11.940 -1.861 1.00 0.00 C ATOM 1385 C ILE A 93 9.187 -11.539 -2.755 1.00 0.00 C ATOM 1386 O ILE A 93 8.685 -12.355 -3.528 1.00 0.00 O ATOM 1387 CB ILE A 93 11.677 -11.733 -2.628 1.00 0.00 C ATOM 1388 CG1 ILE A 93 11.726 -12.636 -3.864 1.00 0.00 C ATOM 1389 CG2 ILE A 93 12.864 -12.004 -1.716 1.00 0.00 C ATOM 1390 CD1 ILE A 93 11.581 -11.881 -5.168 1.00 0.00 C ATOM 0 H ILE A 93 10.167 -14.003 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 93 10.374 -11.314 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 93 11.729 -10.696 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.671 -13.179 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.932 -13.379 -3.793 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.790 -11.854 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.834 -11.321 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.819 -13.032 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.625 -12.582 -6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.624 -11.360 -5.182 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.390 -11.156 -5.261 1.00 0.00 H new ATOM 1402 N TYR A 94 8.734 -10.293 -2.637 1.00 0.00 N ATOM 1403 CA TYR A 94 7.603 -9.839 -3.435 1.00 0.00 C ATOM 1404 C TYR A 94 7.742 -8.388 -3.881 1.00 0.00 C ATOM 1405 O TYR A 94 8.450 -7.587 -3.268 1.00 0.00 O ATOM 1406 CB TYR A 94 6.304 -10.009 -2.644 1.00 0.00 C ATOM 1407 CG TYR A 94 5.593 -11.316 -2.917 1.00 0.00 C ATOM 1408 CD1 TYR A 94 6.024 -12.499 -2.331 1.00 0.00 C ATOM 1409 CD2 TYR A 94 4.491 -11.365 -3.762 1.00 0.00 C ATOM 1410 CE1 TYR A 94 5.379 -13.695 -2.580 1.00 0.00 C ATOM 1411 CE2 TYR A 94 3.840 -12.557 -4.016 1.00 0.00 C ATOM 1412 CZ TYR A 94 4.286 -13.718 -3.422 1.00 0.00 C ATOM 1413 OH TYR A 94 3.639 -14.907 -3.671 1.00 0.00 O ATOM 0 H TYR A 94 9.126 -9.592 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 94 7.581 -10.455 -4.334 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.526 -9.942 -1.579 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.633 -9.184 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.878 -12.484 -1.670 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.138 -10.457 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.728 -14.607 -2.118 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.986 -12.579 -4.677 1.00 0.00 H new ATOM 0 HH TYR A 94 2.890 -14.750 -4.283 1.00 0.00 H new ATOM 1423 N THR A 95 7.025 -8.069 -4.955 1.00 0.00 N ATOM 1424 CA THR A 95 7.003 -6.728 -5.523 1.00 0.00 C ATOM 1425 C THR A 95 5.586 -6.406 -5.982 1.00 0.00 C ATOM 1426 O THR A 95 4.926 -7.250 -6.588 1.00 0.00 O ATOM 1427 CB THR A 95 7.977 -6.623 -6.697 1.00 0.00 C ATOM 1428 OG1 THR A 95 9.291 -6.960 -6.291 1.00 0.00 O ATOM 1429 CG2 THR A 95 8.027 -5.241 -7.312 1.00 0.00 C ATOM 0 H THR A 95 6.441 -8.738 -5.457 1.00 0.00 H new ATOM 0 HA THR A 95 7.314 -6.011 -4.763 1.00 0.00 H new ATOM 0 HB THR A 95 7.603 -7.323 -7.445 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.898 -6.888 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.737 -5.236 -8.139 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.038 -4.971 -7.682 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.342 -4.519 -6.559 1.00 0.00 H new ATOM 1437 N ARG A 96 5.106 -5.201 -5.695 1.00 0.00 N ATOM 1438 CA ARG A 96 3.755 -4.817 -6.090 1.00 0.00 C ATOM 1439 C ARG A 96 3.772 -3.634 -7.050 1.00 0.00 C ATOM 1440 O ARG A 96 4.549 -2.694 -6.883 1.00 0.00 O ATOM 1441 CB ARG A 96 2.920 -4.475 -4.855 1.00 0.00 C ATOM 1442 CG ARG A 96 3.398 -3.230 -4.123 1.00 0.00 C ATOM 1443 CD ARG A 96 2.398 -2.091 -4.244 1.00 0.00 C ATOM 1444 NE ARG A 96 2.336 -1.286 -3.026 1.00 0.00 N ATOM 1445 CZ ARG A 96 1.666 -1.645 -1.933 1.00 0.00 C ATOM 1446 NH1 ARG A 96 1.000 -2.793 -1.902 1.00 0.00 N ATOM 1447 NH2 ARG A 96 1.663 -0.855 -0.869 1.00 0.00 N ATOM 0 H ARG A 96 5.626 -4.479 -5.195 1.00 0.00 H new ATOM 0 HA ARG A 96 3.305 -5.665 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.882 -4.333 -5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.940 -5.321 -4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.557 -3.465 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.360 -2.915 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.673 -1.455 -5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.410 -2.497 -4.461 1.00 0.00 H new ATOM 0 HE ARG A 96 2.835 -0.397 -3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.000 -3.405 -2.718 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.488 -3.063 -1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.174 0.028 -0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.150 -1.130 -0.031 1.00 0.00 H new ATOM 1461 N LEU A 97 2.906 -3.691 -8.057 1.00 0.00 N ATOM 1462 CA LEU A 97 2.808 -2.631 -9.052 1.00 0.00 C ATOM 1463 C LEU A 97 1.352 -2.378 -9.430 1.00 0.00 C ATOM 1464 O LEU A 97 0.665 -3.269 -9.931 1.00 0.00 O ATOM 1465 CB LEU A 97 3.615 -2.997 -10.299 1.00 0.00 C ATOM 1466 CG LEU A 97 5.104 -3.251 -10.056 1.00 0.00 C ATOM 1467 CD1 LEU A 97 5.345 -4.711 -9.704 1.00 0.00 C ATOM 1468 CD2 LEU A 97 5.919 -2.853 -11.277 1.00 0.00 C ATOM 0 H LEU A 97 2.259 -4.465 -8.205 1.00 0.00 H new ATOM 0 HA LEU A 97 3.218 -1.719 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.178 -3.890 -10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.514 -2.193 -11.028 1.00 0.00 H new ATOM 0 HG LEU A 97 5.426 -2.638 -9.214 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.409 -4.873 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.791 -4.964 -8.800 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.008 -5.344 -10.525 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.976 -3.041 -11.086 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.596 -3.440 -12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.770 -1.793 -11.484 1.00 0.00 H new ATOM 1480 N GLY A 98 0.887 -1.157 -9.184 1.00 0.00 N ATOM 1481 CA GLY A 98 -0.484 -0.805 -9.501 1.00 0.00 C ATOM 1482 C GLY A 98 -0.717 0.692 -9.462 1.00 0.00 C ATOM 1483 O GLY A 98 0.137 1.474 -9.879 1.00 0.00 O ATOM 0 H GLY A 98 1.437 -0.404 -8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.734 -1.184 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.155 -1.293 -8.794 1.00 0.00 H new ATOM 1487 N GLY A 99 -1.886 1.088 -8.963 1.00 0.00 N ATOM 1488 CA GLY A 99 -2.214 2.498 -8.887 1.00 0.00 C ATOM 1489 C GLY A 99 -3.172 2.832 -7.758 1.00 0.00 C ATOM 1490 O GLY A 99 -3.986 2.001 -7.352 1.00 0.00 O ATOM 0 H GLY A 99 -2.608 0.459 -8.612 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.296 3.071 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.654 2.813 -9.833 1.00 0.00 H new ATOM 1494 N MET A 100 -3.064 4.057 -7.256 1.00 0.00 N ATOM 1495 CA MET A 100 -3.918 4.519 -6.168 1.00 0.00 C ATOM 1496 C MET A 100 -5.006 5.452 -6.688 1.00 0.00 C ATOM 1497 O MET A 100 -4.717 6.473 -7.311 1.00 0.00 O ATOM 1498 CB MET A 100 -3.082 5.236 -5.105 1.00 0.00 C ATOM 1499 CG MET A 100 -3.808 5.421 -3.783 1.00 0.00 C ATOM 1500 SD MET A 100 -3.200 6.837 -2.849 1.00 0.00 S ATOM 1501 CE MET A 100 -4.742 7.587 -2.327 1.00 0.00 C ATOM 0 H MET A 100 -2.392 4.750 -7.586 1.00 0.00 H new ATOM 0 HA MET A 100 -4.395 3.648 -5.720 1.00 0.00 H new ATOM 0 HB2 MET A 100 -2.167 4.670 -4.931 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.785 6.213 -5.486 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.874 5.547 -3.973 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.695 4.519 -3.182 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.531 8.479 -1.736 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.328 7.863 -3.204 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.306 6.876 -1.723 1.00 0.00 H new ATOM 1842 N PHE A 123 4.544 1.506 -7.177 1.00 0.00 N ATOM 1843 CA PHE A 123 5.020 0.140 -6.992 1.00 0.00 C ATOM 1844 C PHE A 123 5.761 -0.003 -5.666 1.00 0.00 C ATOM 1845 O PHE A 123 6.149 0.990 -5.051 1.00 0.00 O ATOM 1846 CB PHE A 123 5.937 -0.264 -8.148 1.00 0.00 C ATOM 1847 CG PHE A 123 6.961 0.778 -8.494 1.00 0.00 C ATOM 1848 CD1 PHE A 123 6.592 1.938 -9.156 1.00 0.00 C ATOM 1849 CD2 PHE A 123 8.294 0.598 -8.158 1.00 0.00 C ATOM 1850 CE1 PHE A 123 7.532 2.898 -9.476 1.00 0.00 C ATOM 1851 CE2 PHE A 123 9.238 1.555 -8.475 1.00 0.00 C ATOM 1852 CZ PHE A 123 8.857 2.707 -9.135 1.00 0.00 C ATOM 0 HA PHE A 123 4.154 -0.521 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.448 -1.191 -7.889 1.00 0.00 H new ATOM 0 HB3 PHE A 123 5.329 -0.470 -9.029 1.00 0.00 H new ATOM 0 HD1 PHE A 123 5.558 2.093 -9.425 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.598 -0.301 -7.642 1.00 0.00 H new ATOM 0 HE1 PHE A 123 7.231 3.798 -9.993 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.273 1.403 -8.207 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.593 3.457 -9.384 1.00 0.00 H new ATOM 1862 N ALA A 124 5.953 -1.245 -5.230 1.00 0.00 N ATOM 1863 CA ALA A 124 6.648 -1.512 -3.976 1.00 0.00 C ATOM 1864 C ALA A 124 7.533 -2.749 -4.087 1.00 0.00 C ATOM 1865 O ALA A 124 7.387 -3.552 -5.009 1.00 0.00 O ATOM 1866 CB ALA A 124 5.646 -1.678 -2.843 1.00 0.00 C ATOM 0 H ALA A 124 5.638 -2.079 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 124 7.290 -0.659 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.178 -1.877 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 124 5.061 -0.764 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 124 4.980 -2.512 -3.065 1.00 0.00 H new ATOM 1872 N GLY A 125 8.448 -2.900 -3.135 1.00 0.00 N ATOM 1873 CA GLY A 125 9.344 -4.043 -3.133 1.00 0.00 C ATOM 1874 C GLY A 125 9.742 -4.454 -1.729 1.00 0.00 C ATOM 1875 O GLY A 125 9.954 -3.600 -0.869 1.00 0.00 O ATOM 0 H GLY A 125 8.586 -2.249 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 125 8.861 -4.883 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.239 -3.803 -3.707 1.00 0.00 H new ATOM 1879 N GLY A 126 9.848 -5.758 -1.489 1.00 0.00 N ATOM 1880 CA GLY A 126 10.226 -6.221 -0.167 1.00 0.00 C ATOM 1881 C GLY A 126 10.238 -7.730 -0.040 1.00 0.00 C ATOM 1882 O GLY A 126 10.406 -8.447 -1.026 1.00 0.00 O ATOM 0 H GLY A 126 9.681 -6.493 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.216 -5.835 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.534 -5.807 0.567 1.00 0.00 H new ATOM 1886 N VAL A 127 10.061 -8.208 1.189 1.00 0.00 N ATOM 1887 CA VAL A 127 10.053 -9.639 1.460 1.00 0.00 C ATOM 1888 C VAL A 127 8.976 -10.003 2.476 1.00 0.00 C ATOM 1889 O VAL A 127 8.653 -9.216 3.367 1.00 0.00 O ATOM 1890 CB VAL A 127 11.419 -10.119 1.983 1.00 0.00 C ATOM 1891 CG1 VAL A 127 12.488 -9.958 0.913 1.00 0.00 C ATOM 1892 CG2 VAL A 127 11.802 -9.364 3.247 1.00 0.00 C ATOM 0 H VAL A 127 9.921 -7.623 2.013 1.00 0.00 H new ATOM 0 HA VAL A 127 9.838 -10.137 0.515 1.00 0.00 H new ATOM 0 HB VAL A 127 11.341 -11.178 2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 127 13.446 -10.303 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 127 12.218 -10.548 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 127 12.567 -8.908 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 127 12.770 -9.717 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 127 11.862 -8.298 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 127 11.049 -9.536 4.016 1.00 0.00 H new ATOM 1902 N GLU A 128 8.429 -11.205 2.330 1.00 0.00 N ATOM 1903 CA GLU A 128 7.389 -11.690 3.230 1.00 0.00 C ATOM 1904 C GLU A 128 7.794 -13.022 3.851 1.00 0.00 C ATOM 1905 O GLU A 128 8.247 -13.933 3.156 1.00 0.00 O ATOM 1906 CB GLU A 128 6.063 -11.849 2.481 1.00 0.00 C ATOM 1907 CG GLU A 128 5.827 -10.790 1.414 1.00 0.00 C ATOM 1908 CD GLU A 128 4.536 -11.009 0.650 1.00 0.00 C ATOM 1909 OE1 GLU A 128 4.467 -11.982 -0.131 1.00 0.00 O ATOM 1910 OE2 GLU A 128 3.595 -10.210 0.832 1.00 0.00 O ATOM 0 H GLU A 128 8.689 -11.863 1.595 1.00 0.00 H new ATOM 0 HA GLU A 128 7.261 -10.956 4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 128 6.037 -12.834 2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.244 -11.815 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.805 -9.806 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 128 6.663 -10.791 0.715 1.00 0.00 H new ATOM 1917 N TYR A 129 7.639 -13.123 5.168 1.00 0.00 N ATOM 1918 CA TYR A 129 7.998 -14.339 5.887 1.00 0.00 C ATOM 1919 C TYR A 129 6.850 -14.826 6.766 1.00 0.00 C ATOM 1920 O TYR A 129 6.066 -14.028 7.282 1.00 0.00 O ATOM 1921 CB TYR A 129 9.242 -14.097 6.745 1.00 0.00 C ATOM 1922 CG TYR A 129 9.744 -15.336 7.451 1.00 0.00 C ATOM 1923 CD1 TYR A 129 9.195 -15.738 8.662 1.00 0.00 C ATOM 1924 CD2 TYR A 129 10.766 -16.102 6.907 1.00 0.00 C ATOM 1925 CE1 TYR A 129 9.651 -16.869 9.311 1.00 0.00 C ATOM 1926 CE2 TYR A 129 11.228 -17.235 7.550 1.00 0.00 C ATOM 1927 CZ TYR A 129 10.667 -17.614 8.751 1.00 0.00 C ATOM 1928 OH TYR A 129 11.124 -18.742 9.394 1.00 0.00 O ATOM 0 H TYR A 129 7.268 -12.378 5.757 1.00 0.00 H new ATOM 0 HA TYR A 129 8.211 -15.112 5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 129 10.037 -13.702 6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 129 9.017 -13.332 7.488 1.00 0.00 H new ATOM 0 HD1 TYR A 129 8.399 -15.157 9.103 1.00 0.00 H new ATOM 0 HD2 TYR A 129 11.207 -15.808 5.966 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.214 -17.168 10.252 1.00 0.00 H new ATOM 0 HE2 TYR A 129 12.024 -17.820 7.114 1.00 0.00 H new ATOM 0 HH TYR A 129 11.841 -19.152 8.866 1.00 0.00 H new ATOM 1938 N ALA A 130 6.764 -16.142 6.934 1.00 0.00 N ATOM 1939 CA ALA A 130 5.720 -16.744 7.756 1.00 0.00 C ATOM 1940 C ALA A 130 6.264 -17.128 9.127 1.00 0.00 C ATOM 1941 O ALA A 130 7.143 -17.983 9.238 1.00 0.00 O ATOM 1942 CB ALA A 130 5.133 -17.961 7.056 1.00 0.00 C ATOM 0 H ALA A 130 7.406 -16.813 6.511 1.00 0.00 H new ATOM 0 HA ALA A 130 4.929 -16.008 7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.355 -18.400 7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.704 -17.659 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.919 -18.696 6.885 1.00 0.00 H new ATOM 1948 N ILE A 131 5.737 -16.496 10.169 1.00 0.00 N ATOM 1949 CA ILE A 131 6.173 -16.777 11.532 1.00 0.00 C ATOM 1950 C ILE A 131 5.361 -17.920 12.139 1.00 0.00 C ATOM 1951 O ILE A 131 5.890 -18.740 12.889 1.00 0.00 O ATOM 1952 CB ILE A 131 6.052 -15.529 12.430 1.00 0.00 C ATOM 1953 CG1 ILE A 131 6.550 -15.835 13.845 1.00 0.00 C ATOM 1954 CG2 ILE A 131 4.613 -15.033 12.464 1.00 0.00 C ATOM 1955 CD1 ILE A 131 8.037 -16.098 13.919 1.00 0.00 C ATOM 0 H ILE A 131 5.008 -15.786 10.097 1.00 0.00 H new ATOM 0 HA ILE A 131 7.222 -17.070 11.480 1.00 0.00 H new ATOM 0 HB ILE A 131 6.677 -14.741 12.010 1.00 0.00 H new ATOM 0 HG12 ILE A 131 6.305 -14.996 14.497 1.00 0.00 H new ATOM 0 HG13 ILE A 131 6.016 -16.704 14.229 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.547 -14.152 13.102 1.00 0.00 H new ATOM 0 HG22 ILE A 131 4.293 -14.774 11.455 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.967 -15.817 12.859 1.00 0.00 H new ATOM 0 HD11 ILE A 131 8.319 -16.307 14.951 1.00 0.00 H new ATOM 0 HD12 ILE A 131 8.286 -16.955 13.294 1.00 0.00 H new ATOM 0 HD13 ILE A 131 8.580 -15.221 13.566 1.00 0.00 H new ATOM 1967 N THR A 132 4.077 -17.964 11.806 1.00 0.00 N ATOM 1968 CA THR A 132 3.189 -19.005 12.315 1.00 0.00 C ATOM 1969 C THR A 132 1.919 -19.097 11.471 1.00 0.00 C ATOM 1970 O THR A 132 1.618 -18.195 10.690 1.00 0.00 O ATOM 1971 CB THR A 132 2.828 -18.729 13.777 1.00 0.00 C ATOM 1972 OG1 THR A 132 3.100 -17.381 14.118 1.00 0.00 O ATOM 1973 CG2 THR A 132 3.579 -19.609 14.754 1.00 0.00 C ATOM 0 H THR A 132 3.626 -17.291 11.186 1.00 0.00 H new ATOM 0 HA THR A 132 3.714 -19.958 12.253 1.00 0.00 H new ATOM 0 HB THR A 132 1.763 -18.948 13.857 1.00 0.00 H new ATOM 0 HG1 THR A 132 2.861 -17.226 15.056 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.277 -19.363 15.772 1.00 0.00 H new ATOM 0 HG22 THR A 132 3.351 -20.655 14.551 1.00 0.00 H new ATOM 0 HG23 THR A 132 4.651 -19.443 14.643 1.00 0.00 H new ATOM 1981 N PRO A 133 1.154 -20.193 11.618 1.00 0.00 N ATOM 1982 CA PRO A 133 -0.087 -20.395 10.868 1.00 0.00 C ATOM 1983 C PRO A 133 -1.061 -19.236 11.049 1.00 0.00 C ATOM 1984 O PRO A 133 -1.187 -18.685 12.142 1.00 0.00 O ATOM 1985 CB PRO A 133 -0.673 -21.687 11.457 1.00 0.00 C ATOM 1986 CG PRO A 133 0.073 -21.919 12.728 1.00 0.00 C ATOM 1987 CD PRO A 133 1.432 -21.315 12.526 1.00 0.00 C ATOM 0 HA PRO A 133 0.096 -20.455 9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.742 -21.584 11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.548 -22.524 10.770 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -0.439 -21.455 13.571 1.00 0.00 H new ATOM 0 HG3 PRO A 133 0.148 -22.984 12.948 1.00 0.00 H new ATOM 0 HD2 PRO A 133 1.869 -20.977 13.466 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.131 -22.027 12.088 1.00 0.00 H new ATOM 1995 N GLU A 134 -1.750 -18.875 9.972 1.00 0.00 N ATOM 1996 CA GLU A 134 -2.717 -17.784 10.009 1.00 0.00 C ATOM 1997 C GLU A 134 -2.066 -16.472 10.446 1.00 0.00 C ATOM 1998 O GLU A 134 -2.754 -15.545 10.872 1.00 0.00 O ATOM 1999 CB GLU A 134 -3.868 -18.132 10.955 1.00 0.00 C ATOM 2000 CG GLU A 134 -5.004 -18.883 10.279 1.00 0.00 C ATOM 2001 CD GLU A 134 -6.369 -18.417 10.745 1.00 0.00 C ATOM 2002 OE1 GLU A 134 -6.499 -17.229 11.108 1.00 0.00 O ATOM 2003 OE2 GLU A 134 -7.309 -19.240 10.745 1.00 0.00 O ATOM 0 H GLU A 134 -1.656 -19.323 9.061 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.104 -17.649 8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.482 -18.736 11.777 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.260 -17.213 11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.929 -18.753 9.199 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.900 -19.949 10.480 1.00 0.00 H new ATOM 2010 N ILE A 135 -0.741 -16.397 10.344 1.00 0.00 N ATOM 2011 CA ILE A 135 -0.020 -15.194 10.740 1.00 0.00 C ATOM 2012 C ILE A 135 1.244 -14.994 9.909 1.00 0.00 C ATOM 2013 O ILE A 135 2.203 -15.758 10.019 1.00 0.00 O ATOM 2014 CB ILE A 135 0.365 -15.235 12.233 1.00 0.00 C ATOM 2015 CG1 ILE A 135 -0.855 -15.584 13.088 1.00 0.00 C ATOM 2016 CG2 ILE A 135 0.958 -13.902 12.665 1.00 0.00 C ATOM 2017 CD1 ILE A 135 -0.559 -15.639 14.571 1.00 0.00 C ATOM 0 H ILE A 135 -0.150 -17.150 9.993 1.00 0.00 H new ATOM 0 HA ILE A 135 -0.697 -14.358 10.564 1.00 0.00 H new ATOM 0 HB ILE A 135 1.119 -16.009 12.377 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -1.637 -14.846 12.909 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.248 -16.549 12.768 1.00 0.00 H new ATOM 0 HG21 ILE A 135 1.224 -13.947 13.721 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.850 -13.692 12.074 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.225 -13.110 12.509 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.469 -15.892 15.115 1.00 0.00 H new ATOM 0 HD12 ILE A 135 0.200 -16.397 14.763 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -0.194 -14.668 14.906 1.00 0.00 H new ATOM 2029 N ALA A 136 1.234 -13.954 9.083 1.00 0.00 N ATOM 2030 CA ALA A 136 2.375 -13.638 8.232 1.00 0.00 C ATOM 2031 C ALA A 136 2.847 -12.208 8.467 1.00 0.00 C ATOM 2032 O ALA A 136 2.079 -11.359 8.919 1.00 0.00 O ATOM 2033 CB ALA A 136 2.015 -13.843 6.768 1.00 0.00 C ATOM 0 H ALA A 136 0.446 -13.314 8.985 1.00 0.00 H new ATOM 0 HA ALA A 136 3.191 -14.313 8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 136 2.876 -13.603 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.728 -14.882 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.183 -13.191 6.503 1.00 0.00 H new ATOM 2039 N THR A 137 4.113 -11.942 8.159 1.00 0.00 N ATOM 2040 CA THR A 137 4.677 -10.610 8.336 1.00 0.00 C ATOM 2041 C THR A 137 5.645 -10.288 7.203 1.00 0.00 C ATOM 2042 O THR A 137 6.447 -11.134 6.809 1.00 0.00 O ATOM 2043 CB THR A 137 5.396 -10.511 9.683 1.00 0.00 C ATOM 2044 OG1 THR A 137 4.540 -10.910 10.739 1.00 0.00 O ATOM 2045 CG2 THR A 137 5.892 -9.116 9.996 1.00 0.00 C ATOM 0 H THR A 137 4.766 -12.631 7.786 1.00 0.00 H new ATOM 0 HA THR A 137 3.862 -9.886 8.318 1.00 0.00 H new ATOM 0 HB THR A 137 6.257 -11.175 9.600 1.00 0.00 H new ATOM 0 HG1 THR A 137 5.018 -10.841 11.592 1.00 0.00 H new ATOM 0 HG21 THR A 137 6.392 -9.116 10.965 1.00 0.00 H new ATOM 0 HG22 THR A 137 6.594 -8.798 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 137 5.048 -8.427 10.024 1.00 0.00 H new ATOM 2053 N ARG A 138 5.561 -9.075 6.669 1.00 0.00 N ATOM 2054 CA ARG A 138 6.434 -8.681 5.571 1.00 0.00 C ATOM 2055 C ARG A 138 6.802 -7.204 5.635 1.00 0.00 C ATOM 2056 O ARG A 138 6.098 -6.396 6.241 1.00 0.00 O ATOM 2057 CB ARG A 138 5.762 -8.986 4.231 1.00 0.00 C ATOM 2058 CG ARG A 138 4.492 -8.184 3.992 1.00 0.00 C ATOM 2059 CD ARG A 138 4.474 -7.565 2.603 1.00 0.00 C ATOM 2060 NE ARG A 138 3.605 -6.393 2.538 1.00 0.00 N ATOM 2061 CZ ARG A 138 3.889 -5.227 3.115 1.00 0.00 C ATOM 2062 NH1 ARG A 138 5.016 -5.075 3.800 1.00 0.00 N ATOM 2063 NH2 ARG A 138 3.045 -4.210 3.006 1.00 0.00 N ATOM 0 H ARG A 138 4.906 -8.355 6.974 1.00 0.00 H new ATOM 0 HA ARG A 138 7.354 -9.258 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 138 6.467 -8.783 3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 138 5.525 -10.049 4.186 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.624 -8.832 4.114 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.411 -7.398 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.487 -7.281 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.137 -8.307 1.880 1.00 0.00 H new ATOM 0 HE ARG A 138 2.730 -6.472 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.669 -5.854 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 138 5.229 -4.180 4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 138 2.178 -4.321 2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 138 3.263 -3.317 3.448 1.00 0.00 H new ATOM 2077 N LEU A 139 7.911 -6.866 4.986 1.00 0.00 N ATOM 2078 CA LEU A 139 8.393 -5.491 4.935 1.00 0.00 C ATOM 2079 C LEU A 139 8.650 -5.093 3.487 1.00 0.00 C ATOM 2080 O LEU A 139 9.151 -5.898 2.701 1.00 0.00 O ATOM 2081 CB LEU A 139 9.676 -5.344 5.757 1.00 0.00 C ATOM 2082 CG LEU A 139 9.889 -3.965 6.383 1.00 0.00 C ATOM 2083 CD1 LEU A 139 10.803 -4.064 7.595 1.00 0.00 C ATOM 2084 CD2 LEU A 139 10.463 -2.998 5.359 1.00 0.00 C ATOM 0 H LEU A 139 8.497 -7.533 4.484 1.00 0.00 H new ATOM 0 HA LEU A 139 7.634 -4.834 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 139 9.668 -6.090 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 139 10.528 -5.571 5.116 1.00 0.00 H new ATOM 0 HG LEU A 139 8.922 -3.584 6.712 1.00 0.00 H new ATOM 0 HD11 LEU A 139 10.943 -3.073 8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 139 10.353 -4.723 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 139 11.769 -4.467 7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 139 10.608 -2.022 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 139 11.420 -3.375 4.999 1.00 0.00 H new ATOM 0 HD23 LEU A 139 9.772 -2.903 4.521 1.00 0.00 H new ATOM 2096 N GLU A 140 8.297 -3.863 3.124 1.00 0.00 N ATOM 2097 CA GLU A 140 8.492 -3.407 1.753 1.00 0.00 C ATOM 2098 C GLU A 140 8.801 -1.918 1.694 1.00 0.00 C ATOM 2099 O GLU A 140 8.486 -1.165 2.615 1.00 0.00 O ATOM 2100 CB GLU A 140 7.251 -3.712 0.914 1.00 0.00 C ATOM 2101 CG GLU A 140 6.767 -5.147 1.041 1.00 0.00 C ATOM 2102 CD GLU A 140 5.483 -5.400 0.276 1.00 0.00 C ATOM 2103 OE1 GLU A 140 4.508 -4.649 0.489 1.00 0.00 O ATOM 2104 OE2 GLU A 140 5.452 -6.347 -0.537 1.00 0.00 O ATOM 0 H GLU A 140 7.881 -3.174 3.750 1.00 0.00 H new ATOM 0 HA GLU A 140 9.348 -3.945 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 140 6.447 -3.039 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.470 -3.503 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 140 7.542 -5.821 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.610 -5.382 2.094 1.00 0.00 H new ATOM 2111 N TYR A 141 9.423 -1.505 0.595 1.00 0.00 N ATOM 2112 CA TYR A 141 9.784 -0.109 0.395 1.00 0.00 C ATOM 2113 C TYR A 141 9.213 0.417 -0.917 1.00 0.00 C ATOM 2114 O TYR A 141 8.897 -0.356 -1.822 1.00 0.00 O ATOM 2115 CB TYR A 141 11.306 0.051 0.405 1.00 0.00 C ATOM 2116 CG TYR A 141 11.981 -0.656 1.558 1.00 0.00 C ATOM 2117 CD1 TYR A 141 12.344 -1.993 1.462 1.00 0.00 C ATOM 2118 CD2 TYR A 141 12.256 0.014 2.745 1.00 0.00 C ATOM 2119 CE1 TYR A 141 12.961 -2.643 2.514 1.00 0.00 C ATOM 2120 CE2 TYR A 141 12.874 -0.628 3.801 1.00 0.00 C ATOM 2121 CZ TYR A 141 13.224 -1.957 3.680 1.00 0.00 C ATOM 2122 OH TYR A 141 13.839 -2.601 4.730 1.00 0.00 O ATOM 0 H TYR A 141 9.688 -2.121 -0.173 1.00 0.00 H new ATOM 0 HA TYR A 141 9.359 0.473 1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 141 11.710 -0.333 -0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 141 11.551 1.112 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 141 12.141 -2.534 0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 141 11.982 1.054 2.843 1.00 0.00 H new ATOM 0 HE1 TYR A 141 13.236 -3.683 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 141 13.082 -0.093 4.716 1.00 0.00 H new ATOM 0 HH TYR A 141 13.953 -1.976 5.476 1.00 0.00 H new ATOM 2419 N LEU A 162 9.706 3.322 3.586 1.00 0.00 N ATOM 2420 CA LEU A 162 9.966 2.110 4.357 1.00 0.00 C ATOM 2421 C LEU A 162 8.738 1.742 5.184 1.00 0.00 C ATOM 2422 O LEU A 162 8.301 2.516 6.036 1.00 0.00 O ATOM 2423 CB LEU A 162 11.175 2.308 5.274 1.00 0.00 C ATOM 2424 CG LEU A 162 12.342 3.073 4.650 1.00 0.00 C ATOM 2425 CD1 LEU A 162 12.143 4.572 4.807 1.00 0.00 C ATOM 2426 CD2 LEU A 162 13.659 2.639 5.277 1.00 0.00 C ATOM 0 HA LEU A 162 10.184 1.298 3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 162 10.850 2.838 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 162 11.532 1.330 5.595 1.00 0.00 H new ATOM 0 HG LEU A 162 12.375 2.842 3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 162 12.984 5.100 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 162 11.219 4.870 4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 162 12.083 4.822 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 162 14.479 3.194 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 162 13.636 2.840 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 162 13.806 1.572 5.112 1.00 0.00 H new ATOM 2438 N SER A 163 8.170 0.564 4.922 1.00 0.00 N ATOM 2439 CA SER A 163 6.983 0.127 5.646 1.00 0.00 C ATOM 2440 C SER A 163 7.071 -1.339 6.056 1.00 0.00 C ATOM 2441 O SER A 163 7.801 -2.130 5.455 1.00 0.00 O ATOM 2442 CB SER A 163 5.733 0.351 4.795 1.00 0.00 C ATOM 2443 OG SER A 163 5.661 1.690 4.336 1.00 0.00 O ATOM 0 H SER A 163 8.510 -0.095 4.222 1.00 0.00 H new ATOM 0 HA SER A 163 6.920 0.724 6.556 1.00 0.00 H new ATOM 0 HB2 SER A 163 5.743 -0.329 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 163 4.844 0.116 5.380 1.00 0.00 H new ATOM 0 HG SER A 163 4.854 1.807 3.793 1.00 0.00 H new ATOM 2449 N LEU A 164 6.298 -1.686 7.079 1.00 0.00 N ATOM 2450 CA LEU A 164 6.241 -3.048 7.593 1.00 0.00 C ATOM 2451 C LEU A 164 4.807 -3.389 7.986 1.00 0.00 C ATOM 2452 O LEU A 164 4.163 -2.642 8.723 1.00 0.00 O ATOM 2453 CB LEU A 164 7.169 -3.206 8.798 1.00 0.00 C ATOM 2454 CG LEU A 164 7.121 -4.576 9.477 1.00 0.00 C ATOM 2455 CD1 LEU A 164 8.023 -5.562 8.751 1.00 0.00 C ATOM 2456 CD2 LEU A 164 7.525 -4.459 10.939 1.00 0.00 C ATOM 0 H LEU A 164 5.694 -1.031 7.575 1.00 0.00 H new ATOM 0 HA LEU A 164 6.572 -3.733 6.812 1.00 0.00 H new ATOM 0 HB2 LEU A 164 8.192 -3.012 8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 164 6.916 -2.443 9.535 1.00 0.00 H new ATOM 0 HG LEU A 164 6.098 -4.949 9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 164 7.977 -6.531 9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 164 7.690 -5.667 7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 164 9.049 -5.195 8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 164 7.485 -5.443 11.407 1.00 0.00 H new ATOM 0 HD22 LEU A 164 8.539 -4.066 11.006 1.00 0.00 H new ATOM 0 HD23 LEU A 164 6.840 -3.785 11.453 1.00 0.00 H new ATOM 2468 N GLY A 165 4.304 -4.509 7.477 1.00 0.00 N ATOM 2469 CA GLY A 165 2.943 -4.902 7.788 1.00 0.00 C ATOM 2470 C GLY A 165 2.766 -6.400 7.930 1.00 0.00 C ATOM 2471 O GLY A 165 3.595 -7.182 7.464 1.00 0.00 O ATOM 0 H GLY A 165 4.809 -5.146 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 165 2.636 -4.418 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 165 2.279 -4.538 7.004 1.00 0.00 H new ATOM 2475 N VAL A 166 1.671 -6.793 8.569 1.00 0.00 N ATOM 2476 CA VAL A 166 1.368 -8.206 8.766 1.00 0.00 C ATOM 2477 C VAL A 166 0.238 -8.636 7.841 1.00 0.00 C ATOM 2478 O VAL A 166 -0.652 -7.845 7.532 1.00 0.00 O ATOM 2479 CB VAL A 166 0.969 -8.500 10.224 1.00 0.00 C ATOM 2480 CG1 VAL A 166 2.167 -8.351 11.148 1.00 0.00 C ATOM 2481 CG2 VAL A 166 -0.167 -7.588 10.662 1.00 0.00 C ATOM 0 H VAL A 166 0.978 -6.154 8.960 1.00 0.00 H new ATOM 0 HA VAL A 166 2.271 -8.770 8.534 1.00 0.00 H new ATOM 0 HB VAL A 166 0.620 -9.531 10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 166 1.864 -8.563 12.173 1.00 0.00 H new ATOM 0 HG12 VAL A 166 2.947 -9.051 10.848 1.00 0.00 H new ATOM 0 HG13 VAL A 166 2.550 -7.332 11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -0.435 -7.811 11.695 1.00 0.00 H new ATOM 0 HG22 VAL A 166 0.151 -6.548 10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -1.032 -7.751 10.020 1.00 0.00 H new ATOM 2491 N SER A 167 0.277 -9.886 7.390 1.00 0.00 N ATOM 2492 CA SER A 167 -0.749 -10.395 6.488 1.00 0.00 C ATOM 2493 C SER A 167 -1.234 -11.777 6.912 1.00 0.00 C ATOM 2494 O SER A 167 -0.469 -12.588 7.435 1.00 0.00 O ATOM 2495 CB SER A 167 -0.213 -10.450 5.057 1.00 0.00 C ATOM 2496 OG SER A 167 0.592 -11.600 4.858 1.00 0.00 O ATOM 0 H SER A 167 1.003 -10.561 7.632 1.00 0.00 H new ATOM 0 HA SER A 167 -1.597 -9.712 6.533 1.00 0.00 H new ATOM 0 HB2 SER A 167 -1.046 -10.459 4.353 1.00 0.00 H new ATOM 0 HB3 SER A 167 0.371 -9.553 4.849 1.00 0.00 H new ATOM 0 HG SER A 167 0.921 -11.613 3.935 1.00 0.00 H new ATOM 2502 N TYR A 168 -2.518 -12.033 6.679 1.00 0.00 N ATOM 2503 CA TYR A 168 -3.123 -13.311 7.030 1.00 0.00 C ATOM 2504 C TYR A 168 -3.542 -14.074 5.777 1.00 0.00 C ATOM 2505 O TYR A 168 -4.187 -13.520 4.885 1.00 0.00 O ATOM 2506 CB TYR A 168 -4.336 -13.094 7.937 1.00 0.00 C ATOM 2507 CG TYR A 168 -3.980 -12.555 9.305 1.00 0.00 C ATOM 2508 CD1 TYR A 168 -3.355 -11.323 9.447 1.00 0.00 C ATOM 2509 CD2 TYR A 168 -4.271 -13.280 10.454 1.00 0.00 C ATOM 2510 CE1 TYR A 168 -3.027 -10.829 10.695 1.00 0.00 C ATOM 2511 CE2 TYR A 168 -3.948 -12.792 11.706 1.00 0.00 C ATOM 2512 CZ TYR A 168 -3.327 -11.566 11.821 1.00 0.00 C ATOM 2513 OH TYR A 168 -3.004 -11.076 13.065 1.00 0.00 O ATOM 0 H TYR A 168 -3.160 -11.369 6.247 1.00 0.00 H new ATOM 0 HA TYR A 168 -2.380 -13.902 7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -5.024 -12.402 7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -4.865 -14.040 8.055 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -3.121 -10.741 8.567 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -4.757 -14.240 10.367 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -2.538 -9.870 10.788 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -4.181 -13.368 12.590 1.00 0.00 H new ATOM 0 HH TYR A 168 -3.284 -11.717 13.752 1.00 0.00 H new ATOM 2523 N ARG A 169 -3.168 -15.348 5.720 1.00 0.00 N ATOM 2524 CA ARG A 169 -3.498 -16.195 4.579 1.00 0.00 C ATOM 2525 C ARG A 169 -4.560 -17.225 4.953 1.00 0.00 C ATOM 2526 O ARG A 169 -4.335 -18.080 5.811 1.00 0.00 O ATOM 2527 CB ARG A 169 -2.244 -16.902 4.063 1.00 0.00 C ATOM 2528 CG ARG A 169 -1.441 -17.590 5.156 1.00 0.00 C ATOM 2529 CD ARG A 169 -0.994 -18.981 4.730 1.00 0.00 C ATOM 2530 NE ARG A 169 -0.656 -19.822 5.875 1.00 0.00 N ATOM 2531 CZ ARG A 169 -0.588 -21.151 5.824 1.00 0.00 C ATOM 2532 NH1 ARG A 169 -0.835 -21.792 4.689 1.00 0.00 N ATOM 2533 NH2 ARG A 169 -0.273 -21.839 6.912 1.00 0.00 N ATOM 0 H ARG A 169 -2.635 -15.818 6.452 1.00 0.00 H new ATOM 0 HA ARG A 169 -3.899 -15.558 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -2.535 -17.642 3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -1.608 -16.174 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -0.568 -16.986 5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -2.044 -17.662 6.061 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -1.788 -19.456 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -0.128 -18.898 4.073 1.00 0.00 H new ATOM 0 HE ARG A 169 -0.461 -19.365 6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -1.079 -21.267 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -0.781 -22.810 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -0.083 -21.351 7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -0.221 -22.857 6.874 1.00 0.00 H new ATOM 2547 N PHE A 170 -5.715 -17.136 4.305 1.00 0.00 N ATOM 2548 CA PHE A 170 -6.813 -18.060 4.568 1.00 0.00 C ATOM 2549 C PHE A 170 -6.991 -19.038 3.412 1.00 0.00 C ATOM 2550 O PHE A 170 -7.038 -18.638 2.249 1.00 0.00 O ATOM 2551 CB PHE A 170 -8.112 -17.286 4.802 1.00 0.00 C ATOM 2552 CG PHE A 170 -9.137 -18.056 5.586 1.00 0.00 C ATOM 2553 CD1 PHE A 170 -8.790 -18.693 6.766 1.00 0.00 C ATOM 2554 CD2 PHE A 170 -10.447 -18.142 5.142 1.00 0.00 C ATOM 2555 CE1 PHE A 170 -9.731 -19.402 7.489 1.00 0.00 C ATOM 2556 CE2 PHE A 170 -11.392 -18.850 5.860 1.00 0.00 C ATOM 2557 CZ PHE A 170 -11.033 -19.480 7.036 1.00 0.00 C ATOM 0 H PHE A 170 -5.916 -16.434 3.593 1.00 0.00 H new ATOM 0 HA PHE A 170 -6.570 -18.629 5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -7.884 -16.360 5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -8.538 -17.007 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -7.773 -18.635 7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -10.733 -17.650 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -9.448 -19.895 8.408 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -12.409 -18.911 5.502 1.00 0.00 H new ATOM 0 HZ PHE A 170 -11.770 -20.033 7.600 1.00 0.00 H new