USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=21 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 Set 1.1: A 78 GLN : amide:sc= -1.03 K(o=-1.1,f=-4.6!) USER MOD Set 1.2: A 100 MET CE :methyl 155:sc= -0.0778 (180deg=0) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0192) USER MOD Set 2.2: A 163 SER OG : rot -51:sc= 1.29 USER MOD Single : A 6 THR OG1 : rot 25:sc= 0.672 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0947 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 46 ASN : amide:sc= -1.85 K(o=-1.8,f=-2.5!) 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 80 THR OG1 : rot -170:sc= -0.176 USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= 0.0884 (180deg=0.00287) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.63 USER MOD Single : A 94 TYR OH : rot 180:sc= -1.67 USER MOD Single : A 95 THR OG1 : rot -49:sc= 0.184 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= -1.52 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N THR A 6 -5.510 -18.542 -3.603 1.00 0.00 N ATOM 93 CA THR A 6 -6.051 -18.175 -2.294 1.00 0.00 C ATOM 94 C THR A 6 -5.993 -16.669 -2.064 1.00 0.00 C ATOM 95 O THR A 6 -5.430 -15.924 -2.868 1.00 0.00 O ATOM 96 CB THR A 6 -5.285 -18.898 -1.186 1.00 0.00 C ATOM 97 OG1 THR A 6 -4.732 -20.111 -1.667 1.00 0.00 O ATOM 98 CG2 THR A 6 -6.142 -19.229 0.016 1.00 0.00 C ATOM 0 HA THR A 6 -7.098 -18.479 -2.272 1.00 0.00 H new ATOM 0 HB THR A 6 -4.504 -18.204 -0.875 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.608 -20.052 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.537 -19.741 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.543 -18.309 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.964 -19.876 -0.290 1.00 0.00 H new ATOM 106 N TRP A 7 -6.592 -16.231 -0.957 1.00 0.00 N ATOM 107 CA TRP A 7 -6.626 -14.815 -0.609 1.00 0.00 C ATOM 108 C TRP A 7 -6.065 -14.567 0.791 1.00 0.00 C ATOM 109 O TRP A 7 -5.887 -15.497 1.578 1.00 0.00 O ATOM 110 CB TRP A 7 -8.059 -14.286 -0.692 1.00 0.00 C ATOM 111 CG TRP A 7 -8.776 -14.705 -1.940 1.00 0.00 C ATOM 112 CD1 TRP A 7 -9.028 -13.933 -3.038 1.00 0.00 C ATOM 113 CD2 TRP A 7 -9.335 -15.993 -2.217 1.00 0.00 C ATOM 114 NE1 TRP A 7 -9.709 -14.663 -3.982 1.00 0.00 N ATOM 115 CE2 TRP A 7 -9.909 -15.931 -3.501 1.00 0.00 C ATOM 116 CE3 TRP A 7 -9.405 -17.194 -1.505 1.00 0.00 C ATOM 117 CZ2 TRP A 7 -10.545 -17.024 -4.086 1.00 0.00 C ATOM 118 CZ3 TRP A 7 -10.036 -18.277 -2.087 1.00 0.00 C ATOM 119 CH2 TRP A 7 -10.598 -18.186 -3.367 1.00 0.00 C ATOM 0 H TRP A 7 -7.061 -16.840 -0.286 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.999 -14.284 -1.325 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -8.619 -14.637 0.175 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -8.040 -13.197 -0.640 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -8.735 -12.899 -3.148 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.016 -14.318 -4.892 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.974 -17.274 -0.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -10.981 -16.956 -5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.097 -19.210 -1.546 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.083 -19.051 -3.795 1.00 0.00 H new ATOM 130 N TYR A 8 -5.799 -13.300 1.090 1.00 0.00 N ATOM 131 CA TYR A 8 -5.268 -12.907 2.393 1.00 0.00 C ATOM 132 C TYR A 8 -5.604 -11.450 2.709 1.00 0.00 C ATOM 133 O TYR A 8 -5.953 -10.675 1.819 1.00 0.00 O ATOM 134 CB TYR A 8 -3.752 -13.122 2.455 1.00 0.00 C ATOM 135 CG TYR A 8 -3.035 -12.857 1.149 1.00 0.00 C ATOM 136 CD1 TYR A 8 -3.016 -13.811 0.139 1.00 0.00 C ATOM 137 CD2 TYR A 8 -2.373 -11.656 0.930 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.359 -13.574 -1.054 1.00 0.00 C ATOM 139 CE2 TYR A 8 -1.714 -11.411 -0.260 1.00 0.00 C ATOM 140 CZ TYR A 8 -1.710 -12.373 -1.249 1.00 0.00 C ATOM 141 OH TYR A 8 -1.055 -12.133 -2.434 1.00 0.00 O ATOM 0 H TYR A 8 -5.943 -12.523 0.445 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.741 -13.540 3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.335 -12.472 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.554 -14.148 2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.523 -14.753 0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.373 -10.901 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.354 -14.326 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.205 -10.471 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.651 -11.240 -2.410 1.00 0.00 H new ATOM 151 N THR A 9 -5.487 -11.087 3.982 1.00 0.00 N ATOM 152 CA THR A 9 -5.769 -9.724 4.427 1.00 0.00 C ATOM 153 C THR A 9 -4.898 -9.362 5.627 1.00 0.00 C ATOM 154 O THR A 9 -4.489 -10.240 6.387 1.00 0.00 O ATOM 155 CB THR A 9 -7.247 -9.579 4.792 1.00 0.00 C ATOM 156 OG1 THR A 9 -8.070 -10.158 3.793 1.00 0.00 O ATOM 157 CG2 THR A 9 -7.682 -8.140 4.966 1.00 0.00 C ATOM 0 H THR A 9 -5.198 -11.720 4.728 1.00 0.00 H new ATOM 0 HA THR A 9 -5.539 -9.042 3.609 1.00 0.00 H new ATOM 0 HB THR A 9 -7.361 -10.095 5.746 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.011 -10.056 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.741 -8.109 5.224 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.100 -7.678 5.764 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.519 -7.596 4.036 1.00 0.00 H new ATOM 165 N GLY A 10 -4.611 -8.072 5.801 1.00 0.00 N ATOM 166 CA GLY A 10 -3.786 -7.660 6.919 1.00 0.00 C ATOM 167 C GLY A 10 -3.720 -6.158 7.097 1.00 0.00 C ATOM 168 O GLY A 10 -4.569 -5.421 6.596 1.00 0.00 O ATOM 0 H GLY A 10 -4.931 -7.317 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.174 -8.110 7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.777 -8.046 6.778 1.00 0.00 H new ATOM 172 N ALA A 11 -2.694 -5.710 7.814 1.00 0.00 N ATOM 173 CA ALA A 11 -2.491 -4.289 8.067 1.00 0.00 C ATOM 174 C ALA A 11 -1.039 -3.900 7.812 1.00 0.00 C ATOM 175 O ALA A 11 -0.141 -4.737 7.910 1.00 0.00 O ATOM 176 CB ALA A 11 -2.891 -3.945 9.494 1.00 0.00 C ATOM 0 H ALA A 11 -1.987 -6.315 8.232 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.122 -3.723 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.734 -2.881 9.669 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.943 -4.187 9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.283 -4.521 10.191 1.00 0.00 H new ATOM 182 N LYS A 12 -0.807 -2.635 7.479 1.00 0.00 N ATOM 183 CA LYS A 12 0.546 -2.167 7.205 1.00 0.00 C ATOM 184 C LYS A 12 0.806 -0.802 7.836 1.00 0.00 C ATOM 185 O LYS A 12 -0.101 0.016 7.977 1.00 0.00 O ATOM 186 CB LYS A 12 0.783 -2.092 5.696 1.00 0.00 C ATOM 187 CG LYS A 12 1.062 -3.443 5.056 1.00 0.00 C ATOM 188 CD LYS A 12 2.547 -3.641 4.796 1.00 0.00 C ATOM 189 CE LYS A 12 2.902 -3.345 3.347 1.00 0.00 C ATOM 190 NZ LYS A 12 2.595 -1.938 2.975 1.00 0.00 N ATOM 0 H LYS A 12 -1.531 -1.921 7.393 1.00 0.00 H new ATOM 0 HA LYS A 12 1.239 -2.882 7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.092 -1.648 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.624 -1.426 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.697 -4.237 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.514 -3.522 4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.123 -2.990 5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.827 -4.666 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.962 -3.539 3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.351 -4.021 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.944 -1.749 2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.566 -1.787 3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.059 -1.292 3.645 1.00 0.00 H new ATOM 204 N LEU A 13 2.064 -0.568 8.197 1.00 0.00 N ATOM 205 CA LEU A 13 2.475 0.695 8.799 1.00 0.00 C ATOM 206 C LEU A 13 3.914 1.006 8.406 1.00 0.00 C ATOM 207 O LEU A 13 4.805 0.175 8.587 1.00 0.00 O ATOM 208 CB LEU A 13 2.347 0.630 10.322 1.00 0.00 C ATOM 209 CG LEU A 13 1.019 0.075 10.837 1.00 0.00 C ATOM 210 CD1 LEU A 13 1.052 -1.446 10.868 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.710 0.631 12.219 1.00 0.00 C ATOM 0 H LEU A 13 2.821 -1.242 8.082 1.00 0.00 H new ATOM 0 HA LEU A 13 1.823 1.488 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.157 0.014 10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.485 1.633 10.726 1.00 0.00 H new ATOM 0 HG LEU A 13 0.228 0.387 10.156 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.098 -1.823 11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.228 -1.827 9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.854 -1.779 11.527 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.239 0.226 12.570 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.504 0.349 12.911 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.643 1.718 12.167 1.00 0.00 H new ATOM 556 N ALA A 37 -0.007 4.698 8.706 1.00 0.00 N ATOM 557 CA ALA A 37 -0.560 3.364 8.917 1.00 0.00 C ATOM 558 C ALA A 37 -1.790 3.129 8.045 1.00 0.00 C ATOM 559 O ALA A 37 -2.367 4.070 7.499 1.00 0.00 O ATOM 560 CB ALA A 37 -0.906 3.165 10.385 1.00 0.00 C ATOM 0 HA ALA A 37 0.198 2.635 8.629 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.318 2.166 10.530 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.006 3.278 10.989 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.643 3.909 10.689 1.00 0.00 H new ATOM 566 N GLY A 38 -2.185 1.865 7.922 1.00 0.00 N ATOM 567 CA GLY A 38 -3.345 1.534 7.115 1.00 0.00 C ATOM 568 C GLY A 38 -3.626 0.046 7.051 1.00 0.00 C ATOM 569 O GLY A 38 -3.055 -0.738 7.808 1.00 0.00 O ATOM 0 H GLY A 38 -1.725 1.069 8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.219 2.045 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.195 1.912 6.104 1.00 0.00 H new ATOM 573 N ALA A 39 -4.507 -0.339 6.131 1.00 0.00 N ATOM 574 CA ALA A 39 -4.870 -1.740 5.952 1.00 0.00 C ATOM 575 C ALA A 39 -4.514 -2.215 4.548 1.00 0.00 C ATOM 576 O ALA A 39 -4.459 -1.415 3.613 1.00 0.00 O ATOM 577 CB ALA A 39 -6.353 -1.940 6.223 1.00 0.00 C ATOM 0 H ALA A 39 -4.983 0.303 5.497 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.302 -2.336 6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.610 -2.990 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.579 -1.642 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.935 -1.331 5.531 1.00 0.00 H new ATOM 583 N PHE A 40 -4.262 -3.513 4.401 1.00 0.00 N ATOM 584 CA PHE A 40 -3.899 -4.060 3.101 1.00 0.00 C ATOM 585 C PHE A 40 -4.251 -5.538 2.996 1.00 0.00 C ATOM 586 O PHE A 40 -4.113 -6.295 3.956 1.00 0.00 O ATOM 587 CB PHE A 40 -2.401 -3.866 2.849 1.00 0.00 C ATOM 588 CG PHE A 40 -2.087 -2.739 1.905 1.00 0.00 C ATOM 589 CD1 PHE A 40 -2.020 -1.432 2.362 1.00 0.00 C ATOM 590 CD2 PHE A 40 -1.856 -2.988 0.562 1.00 0.00 C ATOM 591 CE1 PHE A 40 -1.729 -0.396 1.496 1.00 0.00 C ATOM 592 CE2 PHE A 40 -1.563 -1.956 -0.308 1.00 0.00 C ATOM 593 CZ PHE A 40 -1.500 -0.657 0.159 1.00 0.00 C ATOM 0 H PHE A 40 -4.302 -4.197 5.157 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.470 -3.523 2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.903 -3.680 3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.987 -4.791 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.197 -1.221 3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.906 -4.001 0.191 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.681 0.618 1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.383 -2.164 -1.352 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.272 0.152 -0.519 1.00 0.00 H new ATOM 603 N GLY A 41 -4.697 -5.936 1.810 1.00 0.00 N ATOM 604 CA GLY A 41 -5.055 -7.319 1.572 1.00 0.00 C ATOM 605 C GLY A 41 -4.619 -7.777 0.197 1.00 0.00 C ATOM 606 O GLY A 41 -4.428 -6.959 -0.701 1.00 0.00 O ATOM 0 H GLY A 41 -4.817 -5.320 1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.593 -7.951 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.134 -7.439 1.671 1.00 0.00 H new ATOM 610 N GLY A 42 -4.453 -9.082 0.029 1.00 0.00 N ATOM 611 CA GLY A 42 -4.031 -9.604 -1.255 1.00 0.00 C ATOM 612 C GLY A 42 -4.443 -11.044 -1.467 1.00 0.00 C ATOM 613 O GLY A 42 -4.822 -11.733 -0.525 1.00 0.00 O ATOM 0 H GLY A 42 -4.602 -9.784 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.455 -8.989 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.947 -9.526 -1.335 1.00 0.00 H new ATOM 617 N TYR A 43 -4.371 -11.495 -2.710 1.00 0.00 N ATOM 618 CA TYR A 43 -4.741 -12.863 -3.044 1.00 0.00 C ATOM 619 C TYR A 43 -3.879 -13.411 -4.172 1.00 0.00 C ATOM 620 O TYR A 43 -3.595 -12.715 -5.146 1.00 0.00 O ATOM 621 CB TYR A 43 -6.219 -12.938 -3.430 1.00 0.00 C ATOM 622 CG TYR A 43 -6.666 -11.831 -4.359 1.00 0.00 C ATOM 623 CD1 TYR A 43 -6.747 -10.516 -3.917 1.00 0.00 C ATOM 624 CD2 TYR A 43 -7.011 -12.103 -5.678 1.00 0.00 C ATOM 625 CE1 TYR A 43 -7.157 -9.503 -4.762 1.00 0.00 C ATOM 626 CE2 TYR A 43 -7.422 -11.094 -6.529 1.00 0.00 C ATOM 627 CZ TYR A 43 -7.493 -9.797 -6.067 1.00 0.00 C ATOM 628 OH TYR A 43 -7.902 -8.791 -6.911 1.00 0.00 O ATOM 0 H TYR A 43 -4.060 -10.935 -3.504 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.572 -13.477 -2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.412 -13.899 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.823 -12.905 -2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -6.485 -10.282 -2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -6.957 -13.118 -6.043 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.214 -8.486 -4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.686 -11.321 -7.551 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.100 -9.166 -7.795 1.00 0.00 H new ATOM 638 N GLN A 44 -3.483 -14.673 -4.042 1.00 0.00 N ATOM 639 CA GLN A 44 -2.675 -15.329 -5.057 1.00 0.00 C ATOM 640 C GLN A 44 -3.580 -16.104 -6.006 1.00 0.00 C ATOM 641 O GLN A 44 -4.377 -16.941 -5.567 1.00 0.00 O ATOM 642 CB GLN A 44 -1.659 -16.271 -4.409 1.00 0.00 C ATOM 643 CG GLN A 44 -0.466 -15.553 -3.802 1.00 0.00 C ATOM 644 CD GLN A 44 0.774 -15.646 -4.670 1.00 0.00 C ATOM 645 OE1 GLN A 44 0.698 -15.538 -5.895 1.00 0.00 O ATOM 646 NE2 GLN A 44 1.925 -15.849 -4.040 1.00 0.00 N ATOM 0 H GLN A 44 -3.711 -15.261 -3.240 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.128 -14.571 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.157 -16.851 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.304 -16.980 -5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.718 -14.504 -3.647 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.251 -15.978 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.942 -15.933 -3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.792 -15.921 -4.572 1.00 0.00 H new ATOM 655 N VAL A 45 -3.461 -15.811 -7.299 1.00 0.00 N ATOM 656 CA VAL A 45 -4.278 -16.465 -8.315 1.00 0.00 C ATOM 657 C VAL A 45 -3.529 -17.604 -8.993 1.00 0.00 C ATOM 658 O VAL A 45 -4.113 -18.637 -9.324 1.00 0.00 O ATOM 659 CB VAL A 45 -4.742 -15.464 -9.390 1.00 0.00 C ATOM 660 CG1 VAL A 45 -5.809 -14.535 -8.830 1.00 0.00 C ATOM 661 CG2 VAL A 45 -3.561 -14.671 -9.927 1.00 0.00 C ATOM 0 H VAL A 45 -2.804 -15.123 -7.667 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.148 -16.870 -7.798 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.179 -16.024 -10.217 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.124 -13.835 -9.604 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.666 -15.122 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.402 -13.981 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.909 -13.969 -10.685 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.091 -14.121 -9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.836 -15.354 -10.370 1.00 0.00 H new ATOM 671 N ASN A 46 -2.231 -17.407 -9.202 1.00 0.00 N ATOM 672 CA ASN A 46 -1.389 -18.408 -9.844 1.00 0.00 C ATOM 673 C ASN A 46 0.043 -18.318 -9.314 1.00 0.00 C ATOM 674 O ASN A 46 0.386 -17.380 -8.595 1.00 0.00 O ATOM 675 CB ASN A 46 -1.409 -18.213 -11.362 1.00 0.00 C ATOM 676 CG ASN A 46 -2.287 -19.229 -12.065 1.00 0.00 C ATOM 677 OD1 ASN A 46 -1.795 -20.126 -12.749 1.00 0.00 O ATOM 678 ND2 ASN A 46 -3.598 -19.091 -11.901 1.00 0.00 N ATOM 0 H ASN A 46 -1.737 -16.556 -8.933 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.781 -19.398 -9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.765 -17.209 -11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.392 -18.287 -11.748 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.240 -19.744 -12.351 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.963 -18.332 -11.325 1.00 0.00 H new ATOM 685 N PRO A 47 0.898 -19.299 -9.651 1.00 0.00 N ATOM 686 CA PRO A 47 2.291 -19.330 -9.196 1.00 0.00 C ATOM 687 C PRO A 47 3.022 -18.003 -9.399 1.00 0.00 C ATOM 688 O PRO A 47 3.163 -17.520 -10.522 1.00 0.00 O ATOM 689 CB PRO A 47 2.937 -20.434 -10.051 1.00 0.00 C ATOM 690 CG PRO A 47 1.920 -20.804 -11.080 1.00 0.00 C ATOM 691 CD PRO A 47 0.584 -20.464 -10.489 1.00 0.00 C ATOM 0 HA PRO A 47 2.347 -19.514 -8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.855 -20.078 -10.519 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.205 -21.295 -9.439 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.087 -20.255 -12.007 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.980 -21.865 -11.323 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.151 -20.226 -11.257 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.177 -21.288 -9.903 1.00 0.00 H new ATOM 699 N TYR A 48 3.501 -17.437 -8.295 1.00 0.00 N ATOM 700 CA TYR A 48 4.247 -16.178 -8.319 1.00 0.00 C ATOM 701 C TYR A 48 3.438 -15.035 -8.933 1.00 0.00 C ATOM 702 O TYR A 48 4.007 -14.019 -9.333 1.00 0.00 O ATOM 703 CB TYR A 48 5.555 -16.354 -9.095 1.00 0.00 C ATOM 704 CG TYR A 48 6.205 -17.710 -8.910 1.00 0.00 C ATOM 705 CD1 TYR A 48 6.146 -18.370 -7.689 1.00 0.00 C ATOM 706 CD2 TYR A 48 6.874 -18.327 -9.958 1.00 0.00 C ATOM 707 CE1 TYR A 48 6.737 -19.608 -7.517 1.00 0.00 C ATOM 708 CE2 TYR A 48 7.467 -19.565 -9.795 1.00 0.00 C ATOM 709 CZ TYR A 48 7.395 -20.201 -8.573 1.00 0.00 C ATOM 710 OH TYR A 48 7.985 -21.433 -8.407 1.00 0.00 O ATOM 0 H TYR A 48 3.385 -17.834 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 48 4.461 -15.914 -7.283 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.360 -16.198 -10.156 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.257 -15.581 -8.783 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.630 -17.908 -6.860 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.932 -17.832 -10.916 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.683 -20.107 -6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.984 -20.032 -10.620 1.00 0.00 H new ATOM 0 HH TYR A 48 8.406 -21.710 -9.248 1.00 0.00 H new ATOM 720 N VAL A 49 2.120 -15.188 -9.008 1.00 0.00 N ATOM 721 CA VAL A 49 1.274 -14.145 -9.578 1.00 0.00 C ATOM 722 C VAL A 49 -0.004 -13.960 -8.769 1.00 0.00 C ATOM 723 O VAL A 49 -0.858 -14.845 -8.728 1.00 0.00 O ATOM 724 CB VAL A 49 0.903 -14.453 -11.040 1.00 0.00 C ATOM 725 CG1 VAL A 49 2.086 -14.192 -11.959 1.00 0.00 C ATOM 726 CG2 VAL A 49 0.420 -15.888 -11.176 1.00 0.00 C ATOM 0 H VAL A 49 1.618 -16.015 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 49 1.855 -13.223 -9.545 1.00 0.00 H new ATOM 0 HB VAL A 49 0.090 -13.790 -11.336 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.804 -14.416 -12.988 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.382 -13.146 -11.883 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.922 -14.827 -11.666 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.162 -16.088 -12.216 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.210 -16.569 -10.861 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.459 -16.037 -10.549 1.00 0.00 H new ATOM 736 N GLY A 50 -0.130 -12.802 -8.124 1.00 0.00 N ATOM 737 CA GLY A 50 -1.310 -12.526 -7.326 1.00 0.00 C ATOM 738 C GLY A 50 -1.726 -11.069 -7.387 1.00 0.00 C ATOM 739 O GLY A 50 -1.172 -10.290 -8.163 1.00 0.00 O ATOM 0 H GLY A 50 0.562 -12.053 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.133 -13.150 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.116 -12.802 -6.289 1.00 0.00 H new ATOM 743 N PHE A 51 -2.700 -10.698 -6.564 1.00 0.00 N ATOM 744 CA PHE A 51 -3.186 -9.323 -6.523 1.00 0.00 C ATOM 745 C PHE A 51 -3.188 -8.799 -5.090 1.00 0.00 C ATOM 746 O PHE A 51 -3.323 -9.569 -4.141 1.00 0.00 O ATOM 747 CB PHE A 51 -4.596 -9.239 -7.112 1.00 0.00 C ATOM 748 CG PHE A 51 -4.614 -9.133 -8.610 1.00 0.00 C ATOM 749 CD1 PHE A 51 -4.028 -8.052 -9.248 1.00 0.00 C ATOM 750 CD2 PHE A 51 -5.216 -10.116 -9.380 1.00 0.00 C ATOM 751 CE1 PHE A 51 -4.044 -7.953 -10.627 1.00 0.00 C ATOM 752 CE2 PHE A 51 -5.236 -10.022 -10.758 1.00 0.00 C ATOM 753 CZ PHE A 51 -4.648 -8.938 -11.383 1.00 0.00 C ATOM 0 H PHE A 51 -3.169 -11.330 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.516 -8.705 -7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.160 -10.122 -6.811 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.107 -8.375 -6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.554 -7.279 -8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.675 -10.966 -8.897 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.584 -7.105 -11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.710 -10.794 -11.346 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.661 -8.862 -12.460 1.00 0.00 H new ATOM 763 N GLU A 52 -3.028 -7.487 -4.937 1.00 0.00 N ATOM 764 CA GLU A 52 -3.004 -6.879 -3.611 1.00 0.00 C ATOM 765 C GLU A 52 -3.631 -5.488 -3.623 1.00 0.00 C ATOM 766 O GLU A 52 -3.357 -4.676 -4.507 1.00 0.00 O ATOM 767 CB GLU A 52 -1.566 -6.792 -3.096 1.00 0.00 C ATOM 768 CG GLU A 52 -1.071 -8.074 -2.447 1.00 0.00 C ATOM 769 CD GLU A 52 -1.037 -7.987 -0.934 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.960 -7.377 -0.354 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.088 -8.527 -0.329 1.00 0.00 O ATOM 0 H GLU A 52 -2.914 -6.830 -5.708 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.592 -7.512 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.907 -6.537 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.497 -5.979 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.716 -8.900 -2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.071 -8.301 -2.817 1.00 0.00 H new ATOM 778 N MET A 53 -4.470 -5.223 -2.626 1.00 0.00 N ATOM 779 CA MET A 53 -5.137 -3.934 -2.501 1.00 0.00 C ATOM 780 C MET A 53 -4.960 -3.380 -1.090 1.00 0.00 C ATOM 781 O MET A 53 -4.755 -4.140 -0.143 1.00 0.00 O ATOM 782 CB MET A 53 -6.626 -4.069 -2.827 1.00 0.00 C ATOM 783 CG MET A 53 -7.333 -2.737 -3.017 1.00 0.00 C ATOM 784 SD MET A 53 -9.127 -2.899 -3.038 1.00 0.00 S ATOM 785 CE MET A 53 -9.531 -2.421 -1.360 1.00 0.00 C ATOM 0 H MET A 53 -4.704 -5.889 -1.890 1.00 0.00 H new ATOM 0 HA MET A 53 -4.684 -3.242 -3.211 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.738 -4.662 -3.734 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.116 -4.619 -2.024 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.043 -2.059 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.002 -2.285 -3.952 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.610 -2.471 -1.217 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.041 -3.098 -0.661 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.188 -1.402 -1.179 1.00 0.00 H new ATOM 795 N GLY A 54 -5.035 -2.061 -0.950 1.00 0.00 N ATOM 796 CA GLY A 54 -4.874 -1.457 0.360 1.00 0.00 C ATOM 797 C GLY A 54 -5.431 -0.050 0.443 1.00 0.00 C ATOM 798 O GLY A 54 -5.610 0.621 -0.576 1.00 0.00 O ATOM 0 H GLY A 54 -5.203 -1.404 -1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.369 -2.081 1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.815 -1.437 0.616 1.00 0.00 H new ATOM 802 N TYR A 55 -5.707 0.393 1.665 1.00 0.00 N ATOM 803 CA TYR A 55 -6.248 1.726 1.897 1.00 0.00 C ATOM 804 C TYR A 55 -5.628 2.356 3.140 1.00 0.00 C ATOM 805 O TYR A 55 -5.268 1.658 4.088 1.00 0.00 O ATOM 806 CB TYR A 55 -7.770 1.662 2.047 1.00 0.00 C ATOM 807 CG TYR A 55 -8.413 3.008 2.293 1.00 0.00 C ATOM 808 CD1 TYR A 55 -8.364 3.604 3.547 1.00 0.00 C ATOM 809 CD2 TYR A 55 -9.072 3.681 1.272 1.00 0.00 C ATOM 810 CE1 TYR A 55 -8.952 4.834 3.775 1.00 0.00 C ATOM 811 CE2 TYR A 55 -9.662 4.911 1.492 1.00 0.00 C ATOM 812 CZ TYR A 55 -9.600 5.483 2.745 1.00 0.00 C ATOM 813 OH TYR A 55 -10.186 6.707 2.969 1.00 0.00 O ATOM 0 H TYR A 55 -5.564 -0.155 2.513 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.001 2.347 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.197 1.225 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.017 0.995 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.859 3.098 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.124 3.235 0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.904 5.285 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.169 5.422 0.687 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.599 7.028 2.140 1.00 0.00 H new ATOM 1136 N VAL A 77 -8.302 4.956 -2.203 1.00 0.00 N ATOM 1137 CA VAL A 77 -8.031 3.524 -2.225 1.00 0.00 C ATOM 1138 C VAL A 77 -6.902 3.195 -3.196 1.00 0.00 C ATOM 1139 O VAL A 77 -6.665 3.927 -4.156 1.00 0.00 O ATOM 1140 CB VAL A 77 -9.285 2.720 -2.622 1.00 0.00 C ATOM 1141 CG1 VAL A 77 -9.033 1.227 -2.476 1.00 0.00 C ATOM 1142 CG2 VAL A 77 -10.485 3.150 -1.790 1.00 0.00 C ATOM 0 HA VAL A 77 -7.733 3.242 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.507 2.926 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.930 0.677 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.206 0.933 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.782 1.000 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.359 2.570 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.276 2.978 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.680 4.210 -1.953 1.00 0.00 H new ATOM 1152 N GLN A 78 -6.208 2.090 -2.942 1.00 0.00 N ATOM 1153 CA GLN A 78 -5.105 1.669 -3.797 1.00 0.00 C ATOM 1154 C GLN A 78 -5.272 0.217 -4.231 1.00 0.00 C ATOM 1155 O GLN A 78 -5.590 -0.654 -3.421 1.00 0.00 O ATOM 1156 CB GLN A 78 -3.771 1.846 -3.069 1.00 0.00 C ATOM 1157 CG GLN A 78 -2.564 1.809 -3.992 1.00 0.00 C ATOM 1158 CD GLN A 78 -1.440 2.709 -3.518 1.00 0.00 C ATOM 1159 OE1 GLN A 78 -1.671 3.843 -3.098 1.00 0.00 O ATOM 1160 NE2 GLN A 78 -0.213 2.205 -3.582 1.00 0.00 N ATOM 0 H GLN A 78 -6.390 1.471 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.112 2.297 -4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.781 2.797 -2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.669 1.061 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.198 0.785 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.868 2.111 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.068 1.260 -3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.584 2.763 -3.276 1.00 0.00 H new ATOM 1169 N LEU A 79 -5.040 -0.033 -5.516 1.00 0.00 N ATOM 1170 CA LEU A 79 -5.147 -1.378 -6.071 1.00 0.00 C ATOM 1171 C LEU A 79 -3.904 -1.701 -6.890 1.00 0.00 C ATOM 1172 O LEU A 79 -3.481 -0.903 -7.726 1.00 0.00 O ATOM 1173 CB LEU A 79 -6.398 -1.498 -6.945 1.00 0.00 C ATOM 1174 CG LEU A 79 -7.082 -2.865 -6.913 1.00 0.00 C ATOM 1175 CD1 LEU A 79 -8.583 -2.716 -7.102 1.00 0.00 C ATOM 1176 CD2 LEU A 79 -6.496 -3.778 -7.981 1.00 0.00 C ATOM 0 H LEU A 79 -4.776 0.681 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.228 -2.090 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.117 -0.742 -6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.126 -1.269 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.903 -3.317 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.052 -3.699 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.991 -2.098 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.784 -2.243 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.994 -4.747 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.644 -3.330 -8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.429 -3.911 -7.800 1.00 0.00 H new ATOM 1188 N THR A 80 -3.307 -2.863 -6.641 1.00 0.00 N ATOM 1189 CA THR A 80 -2.100 -3.252 -7.360 1.00 0.00 C ATOM 1190 C THR A 80 -1.971 -4.768 -7.482 1.00 0.00 C ATOM 1191 O THR A 80 -2.735 -5.528 -6.888 1.00 0.00 O ATOM 1192 CB THR A 80 -0.860 -2.688 -6.659 1.00 0.00 C ATOM 1193 OG1 THR A 80 -0.450 -3.539 -5.603 1.00 0.00 O ATOM 1194 CG2 THR A 80 -1.067 -1.305 -6.075 1.00 0.00 C ATOM 0 H THR A 80 -3.635 -3.544 -5.956 1.00 0.00 H new ATOM 0 HA THR A 80 -2.176 -2.838 -8.366 1.00 0.00 H new ATOM 0 HB THR A 80 -0.100 -2.623 -7.438 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.239 -3.090 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.147 -0.971 -5.595 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.334 -0.610 -6.871 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.869 -1.338 -5.338 1.00 0.00 H new ATOM 1202 N ALA A 81 -0.969 -5.185 -8.251 1.00 0.00 N ATOM 1203 CA ALA A 81 -0.683 -6.598 -8.463 1.00 0.00 C ATOM 1204 C ALA A 81 0.586 -6.990 -7.717 1.00 0.00 C ATOM 1205 O ALA A 81 1.521 -6.195 -7.615 1.00 0.00 O ATOM 1206 CB ALA A 81 -0.545 -6.896 -9.948 1.00 0.00 C ATOM 0 H ALA A 81 -0.335 -4.555 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.513 -7.187 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.332 -7.956 -10.088 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.474 -6.643 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.270 -6.304 -10.364 1.00 0.00 H new ATOM 1212 N LYS A 82 0.620 -8.209 -7.186 1.00 0.00 N ATOM 1213 CA LYS A 82 1.783 -8.680 -6.443 1.00 0.00 C ATOM 1214 C LYS A 82 2.532 -9.767 -7.208 1.00 0.00 C ATOM 1215 O LYS A 82 1.952 -10.783 -7.594 1.00 0.00 O ATOM 1216 CB LYS A 82 1.353 -9.213 -5.075 1.00 0.00 C ATOM 1217 CG LYS A 82 2.501 -9.358 -4.089 1.00 0.00 C ATOM 1218 CD LYS A 82 2.430 -10.677 -3.334 1.00 0.00 C ATOM 1219 CE LYS A 82 2.578 -10.473 -1.835 1.00 0.00 C ATOM 1220 NZ LYS A 82 3.458 -11.504 -1.217 1.00 0.00 N ATOM 0 H LYS A 82 -0.141 -8.885 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 82 2.457 -7.834 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.605 -8.543 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.874 -10.183 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.449 -9.295 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.478 -8.531 -3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.478 -11.166 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.215 -11.343 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.990 -9.482 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.595 -10.506 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.215 -11.610 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.323 -12.413 -1.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.452 -11.210 -1.304 1.00 0.00 H new ATOM 1234 N LEU A 83 3.827 -9.548 -7.416 1.00 0.00 N ATOM 1235 CA LEU A 83 4.669 -10.504 -8.124 1.00 0.00 C ATOM 1236 C LEU A 83 5.942 -10.777 -7.329 1.00 0.00 C ATOM 1237 O LEU A 83 6.803 -9.907 -7.200 1.00 0.00 O ATOM 1238 CB LEU A 83 5.024 -9.974 -9.516 1.00 0.00 C ATOM 1239 CG LEU A 83 5.781 -10.959 -10.409 1.00 0.00 C ATOM 1240 CD1 LEU A 83 4.808 -11.803 -11.217 1.00 0.00 C ATOM 1241 CD2 LEU A 83 6.737 -10.215 -11.330 1.00 0.00 C ATOM 0 H LEU A 83 4.318 -8.711 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 83 4.115 -11.436 -8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.104 -9.681 -10.022 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.626 -9.073 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 83 6.364 -11.624 -9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.364 -12.498 -11.846 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.163 -12.363 -10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.198 -11.154 -11.845 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.268 -10.930 -11.958 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.174 -9.527 -11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.456 -9.654 -10.732 1.00 0.00 H new ATOM 1253 N GLY A 84 6.047 -11.984 -6.783 1.00 0.00 N ATOM 1254 CA GLY A 84 7.215 -12.329 -5.995 1.00 0.00 C ATOM 1255 C GLY A 84 7.770 -13.705 -6.299 1.00 0.00 C ATOM 1256 O GLY A 84 7.192 -14.462 -7.079 1.00 0.00 O ATOM 0 H GLY A 84 5.350 -12.724 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.993 -11.586 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.957 -12.277 -4.937 1.00 0.00 H new ATOM 1260 N TYR A 85 8.897 -14.025 -5.671 1.00 0.00 N ATOM 1261 CA TYR A 85 9.545 -15.316 -5.860 1.00 0.00 C ATOM 1262 C TYR A 85 9.846 -15.968 -4.512 1.00 0.00 C ATOM 1263 O TYR A 85 10.247 -15.292 -3.561 1.00 0.00 O ATOM 1264 CB TYR A 85 10.838 -15.149 -6.661 1.00 0.00 C ATOM 1265 CG TYR A 85 10.618 -14.638 -8.067 1.00 0.00 C ATOM 1266 CD1 TYR A 85 9.987 -15.425 -9.022 1.00 0.00 C ATOM 1267 CD2 TYR A 85 11.043 -13.370 -8.440 1.00 0.00 C ATOM 1268 CE1 TYR A 85 9.785 -14.962 -10.309 1.00 0.00 C ATOM 1269 CE2 TYR A 85 10.845 -12.899 -9.724 1.00 0.00 C ATOM 1270 CZ TYR A 85 10.216 -13.699 -10.654 1.00 0.00 C ATOM 1271 OH TYR A 85 10.016 -13.234 -11.934 1.00 0.00 O ATOM 0 H TYR A 85 9.382 -13.403 -5.024 1.00 0.00 H new ATOM 0 HA TYR A 85 8.866 -15.962 -6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.497 -14.460 -6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.352 -16.109 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.649 -16.415 -8.755 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.537 -12.741 -7.714 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.292 -15.586 -11.040 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.181 -11.910 -9.997 1.00 0.00 H new ATOM 0 HH TYR A 85 10.377 -12.326 -12.012 1.00 0.00 H new ATOM 1281 N PRO A 86 9.646 -17.294 -4.406 1.00 0.00 N ATOM 1282 CA PRO A 86 9.889 -18.034 -3.171 1.00 0.00 C ATOM 1283 C PRO A 86 11.337 -18.495 -3.035 1.00 0.00 C ATOM 1284 O PRO A 86 11.753 -19.461 -3.675 1.00 0.00 O ATOM 1285 CB PRO A 86 8.960 -19.232 -3.322 1.00 0.00 C ATOM 1286 CG PRO A 86 8.940 -19.506 -4.789 1.00 0.00 C ATOM 1287 CD PRO A 86 9.158 -18.180 -5.481 1.00 0.00 C ATOM 0 HA PRO A 86 9.709 -17.430 -2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.327 -20.092 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.961 -19.010 -2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.720 -20.217 -5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.989 -19.947 -5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.885 -18.266 -6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.235 -17.803 -5.921 1.00 0.00 H new ATOM 1295 N ILE A 87 12.095 -17.810 -2.187 1.00 0.00 N ATOM 1296 CA ILE A 87 13.490 -18.165 -1.956 1.00 0.00 C ATOM 1297 C ILE A 87 13.586 -19.322 -0.969 1.00 0.00 C ATOM 1298 O ILE A 87 14.470 -20.173 -1.069 1.00 0.00 O ATOM 1299 CB ILE A 87 14.303 -16.969 -1.422 1.00 0.00 C ATOM 1300 CG1 ILE A 87 13.667 -16.418 -0.145 1.00 0.00 C ATOM 1301 CG2 ILE A 87 14.403 -15.882 -2.481 1.00 0.00 C ATOM 1302 CD1 ILE A 87 14.517 -15.379 0.552 1.00 0.00 C ATOM 0 H ILE A 87 11.768 -17.007 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 87 13.911 -18.464 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 87 15.310 -17.312 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.700 -15.980 -0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.478 -17.242 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 87 14.980 -15.044 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 87 14.898 -16.281 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 87 13.403 -15.541 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 87 14.005 -15.032 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 87 15.475 -15.819 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 87 14.684 -14.536 -0.119 1.00 0.00 H new ATOM 1314 N THR A 88 12.655 -19.348 -0.020 1.00 0.00 N ATOM 1315 CA THR A 88 12.607 -20.400 0.988 1.00 0.00 C ATOM 1316 C THR A 88 11.161 -20.682 1.385 1.00 0.00 C ATOM 1317 O THR A 88 10.267 -19.888 1.090 1.00 0.00 O ATOM 1318 CB THR A 88 13.429 -20.007 2.220 1.00 0.00 C ATOM 1319 OG1 THR A 88 14.132 -18.798 1.993 1.00 0.00 O ATOM 1320 CG2 THR A 88 14.440 -21.057 2.623 1.00 0.00 C ATOM 0 H THR A 88 11.919 -18.647 0.071 1.00 0.00 H new ATOM 0 HA THR A 88 13.039 -21.306 0.562 1.00 0.00 H new ATOM 0 HB THR A 88 12.704 -19.894 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 88 14.649 -18.565 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.988 -20.716 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.924 -21.988 2.856 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.138 -21.224 1.802 1.00 0.00 H new ATOM 1328 N ASP A 89 10.927 -21.813 2.041 1.00 0.00 N ATOM 1329 CA ASP A 89 9.579 -22.186 2.456 1.00 0.00 C ATOM 1330 C ASP A 89 8.978 -21.155 3.408 1.00 0.00 C ATOM 1331 O ASP A 89 7.757 -21.040 3.514 1.00 0.00 O ATOM 1332 CB ASP A 89 9.595 -23.561 3.125 1.00 0.00 C ATOM 1333 CG ASP A 89 9.395 -24.690 2.133 1.00 0.00 C ATOM 1334 OD1 ASP A 89 8.309 -24.757 1.521 1.00 0.00 O ATOM 1335 OD2 ASP A 89 10.325 -25.508 1.969 1.00 0.00 O ATOM 0 H ASP A 89 11.650 -22.486 2.296 1.00 0.00 H new ATOM 0 HA ASP A 89 8.957 -22.223 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.545 -23.699 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.811 -23.603 3.882 1.00 0.00 H new ATOM 1340 N ASP A 90 9.833 -20.419 4.110 1.00 0.00 N ATOM 1341 CA ASP A 90 9.362 -19.418 5.063 1.00 0.00 C ATOM 1342 C ASP A 90 9.698 -18.000 4.610 1.00 0.00 C ATOM 1343 O ASP A 90 8.972 -17.057 4.920 1.00 0.00 O ATOM 1344 CB ASP A 90 9.967 -19.678 6.443 1.00 0.00 C ATOM 1345 CG ASP A 90 9.860 -21.132 6.857 1.00 0.00 C ATOM 1346 OD1 ASP A 90 10.405 -21.996 6.138 1.00 0.00 O ATOM 1347 OD2 ASP A 90 9.231 -21.408 7.901 1.00 0.00 O ATOM 0 H ASP A 90 10.848 -20.495 4.039 1.00 0.00 H new ATOM 0 HA ASP A 90 8.277 -19.503 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.016 -19.381 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.462 -19.055 7.181 1.00 0.00 H new ATOM 1352 N LEU A 91 10.805 -17.848 3.890 1.00 0.00 N ATOM 1353 CA LEU A 91 11.225 -16.531 3.421 1.00 0.00 C ATOM 1354 C LEU A 91 10.911 -16.335 1.940 1.00 0.00 C ATOM 1355 O LEU A 91 11.337 -17.120 1.094 1.00 0.00 O ATOM 1356 CB LEU A 91 12.723 -16.338 3.663 1.00 0.00 C ATOM 1357 CG LEU A 91 13.184 -14.881 3.735 1.00 0.00 C ATOM 1358 CD1 LEU A 91 12.522 -14.169 4.905 1.00 0.00 C ATOM 1359 CD2 LEU A 91 14.699 -14.807 3.851 1.00 0.00 C ATOM 0 H LEU A 91 11.423 -18.613 3.620 1.00 0.00 H new ATOM 0 HA LEU A 91 10.666 -15.785 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.992 -16.835 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.272 -16.838 2.865 1.00 0.00 H new ATOM 0 HG LEU A 91 12.885 -14.379 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.862 -13.134 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.440 -14.191 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.790 -14.671 5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.010 -13.763 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.020 -15.325 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 91 15.154 -15.280 2.981 1.00 0.00 H new ATOM 1371 N ASP A 92 10.157 -15.283 1.639 1.00 0.00 N ATOM 1372 CA ASP A 92 9.781 -14.983 0.262 1.00 0.00 C ATOM 1373 C ASP A 92 10.032 -13.516 -0.076 1.00 0.00 C ATOM 1374 O ASP A 92 10.032 -12.655 0.803 1.00 0.00 O ATOM 1375 CB ASP A 92 8.308 -15.326 0.030 1.00 0.00 C ATOM 1376 CG ASP A 92 8.013 -16.795 0.257 1.00 0.00 C ATOM 1377 OD1 ASP A 92 8.107 -17.246 1.418 1.00 0.00 O ATOM 1378 OD2 ASP A 92 7.689 -17.495 -0.725 1.00 0.00 O ATOM 0 H ASP A 92 9.795 -14.625 2.329 1.00 0.00 H new ATOM 0 HA ASP A 92 10.402 -15.593 -0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.689 -14.727 0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.031 -15.056 -0.989 1.00 0.00 H new ATOM 1383 N ILE A 93 10.226 -13.243 -1.363 1.00 0.00 N ATOM 1384 CA ILE A 93 10.457 -11.883 -1.837 1.00 0.00 C ATOM 1385 C ILE A 93 9.415 -11.516 -2.884 1.00 0.00 C ATOM 1386 O ILE A 93 9.009 -12.362 -3.681 1.00 0.00 O ATOM 1387 CB ILE A 93 11.865 -11.724 -2.445 1.00 0.00 C ATOM 1388 CG1 ILE A 93 12.066 -12.724 -3.586 1.00 0.00 C ATOM 1389 CG2 ILE A 93 12.931 -11.910 -1.375 1.00 0.00 C ATOM 1390 CD1 ILE A 93 13.227 -12.378 -4.493 1.00 0.00 C ATOM 0 H ILE A 93 10.228 -13.949 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 93 10.377 -11.216 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 93 11.958 -10.716 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.227 -13.716 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.153 -12.774 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.919 -11.795 -1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.796 -11.162 -0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.843 -12.907 -0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.311 -13.129 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.058 -11.399 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 93 14.149 -12.356 -3.912 1.00 0.00 H new ATOM 1402 N TYR A 94 8.960 -10.265 -2.876 1.00 0.00 N ATOM 1403 CA TYR A 94 7.943 -9.847 -3.834 1.00 0.00 C ATOM 1404 C TYR A 94 7.999 -8.357 -4.153 1.00 0.00 C ATOM 1405 O TYR A 94 8.696 -7.579 -3.498 1.00 0.00 O ATOM 1406 CB TYR A 94 6.551 -10.211 -3.312 1.00 0.00 C ATOM 1407 CG TYR A 94 6.117 -9.393 -2.116 1.00 0.00 C ATOM 1408 CD1 TYR A 94 6.661 -9.622 -0.859 1.00 0.00 C ATOM 1409 CD2 TYR A 94 5.165 -8.390 -2.248 1.00 0.00 C ATOM 1410 CE1 TYR A 94 6.265 -8.875 0.235 1.00 0.00 C ATOM 1411 CE2 TYR A 94 4.766 -7.638 -1.159 1.00 0.00 C ATOM 1412 CZ TYR A 94 5.319 -7.884 0.080 1.00 0.00 C ATOM 1413 OH TYR A 94 4.925 -7.138 1.165 1.00 0.00 O ATOM 0 H TYR A 94 9.272 -9.538 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 94 8.149 -10.380 -4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.825 -10.078 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.538 -11.267 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.405 -10.395 -0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.730 -8.195 -3.217 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.695 -9.067 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.025 -6.862 -1.278 1.00 0.00 H new ATOM 0 HH TYR A 94 4.253 -6.482 0.884 1.00 0.00 H new ATOM 1423 N THR A 95 7.227 -7.986 -5.169 1.00 0.00 N ATOM 1424 CA THR A 95 7.123 -6.605 -5.622 1.00 0.00 C ATOM 1425 C THR A 95 5.680 -6.304 -6.013 1.00 0.00 C ATOM 1426 O THR A 95 4.998 -7.163 -6.575 1.00 0.00 O ATOM 1427 CB THR A 95 8.054 -6.357 -6.809 1.00 0.00 C ATOM 1428 OG1 THR A 95 7.537 -6.955 -7.985 1.00 0.00 O ATOM 1429 CG2 THR A 95 9.452 -6.896 -6.596 1.00 0.00 C ATOM 0 H THR A 95 6.653 -8.639 -5.703 1.00 0.00 H new ATOM 0 HA THR A 95 7.422 -5.943 -4.809 1.00 0.00 H new ATOM 0 HB THR A 95 8.112 -5.273 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.291 -7.885 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.061 -6.687 -7.476 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.898 -6.417 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.406 -7.973 -6.435 1.00 0.00 H new ATOM 1437 N ARG A 96 5.207 -5.099 -5.721 1.00 0.00 N ATOM 1438 CA ARG A 96 3.838 -4.723 -6.054 1.00 0.00 C ATOM 1439 C ARG A 96 3.815 -3.551 -7.030 1.00 0.00 C ATOM 1440 O ARG A 96 4.575 -2.594 -6.888 1.00 0.00 O ATOM 1441 CB ARG A 96 3.063 -4.365 -4.784 1.00 0.00 C ATOM 1442 CG ARG A 96 2.039 -5.415 -4.380 1.00 0.00 C ATOM 1443 CD ARG A 96 2.385 -6.050 -3.042 1.00 0.00 C ATOM 1444 NE ARG A 96 2.700 -5.047 -2.026 1.00 0.00 N ATOM 1445 CZ ARG A 96 1.793 -4.256 -1.460 1.00 0.00 C ATOM 1446 NH1 ARG A 96 0.514 -4.346 -1.804 1.00 0.00 N ATOM 1447 NH2 ARG A 96 2.165 -3.371 -0.544 1.00 0.00 N ATOM 0 H ARG A 96 5.747 -4.369 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 96 3.359 -5.577 -6.534 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.769 -4.224 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.555 -3.413 -4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.052 -4.957 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.987 -6.187 -5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.548 -6.660 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.236 -6.719 -3.167 1.00 0.00 H new ATOM 0 HE ARG A 96 3.672 -4.948 -1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.221 -5.025 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.176 -3.736 -1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.146 -3.298 -0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.470 -2.764 -0.109 1.00 0.00 H new ATOM 1461 N LEU A 97 2.934 -3.638 -8.022 1.00 0.00 N ATOM 1462 CA LEU A 97 2.804 -2.590 -9.028 1.00 0.00 C ATOM 1463 C LEU A 97 1.338 -2.346 -9.370 1.00 0.00 C ATOM 1464 O LEU A 97 0.640 -3.245 -9.839 1.00 0.00 O ATOM 1465 CB LEU A 97 3.577 -2.969 -10.293 1.00 0.00 C ATOM 1466 CG LEU A 97 4.196 -1.793 -11.049 1.00 0.00 C ATOM 1467 CD1 LEU A 97 5.344 -2.269 -11.928 1.00 0.00 C ATOM 1468 CD2 LEU A 97 3.142 -1.084 -11.885 1.00 0.00 C ATOM 0 H LEU A 97 2.298 -4.425 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 97 3.222 -1.671 -8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.371 -3.665 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.904 -3.500 -10.966 1.00 0.00 H new ATOM 0 HG LEU A 97 4.592 -1.085 -10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.773 -1.419 -12.459 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.110 -2.733 -11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.972 -2.997 -12.649 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.600 -0.250 -12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.717 -1.784 -12.605 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.352 -0.710 -11.234 1.00 0.00 H new ATOM 1480 N GLY A 98 0.877 -1.123 -9.128 1.00 0.00 N ATOM 1481 CA GLY A 98 -0.505 -0.780 -9.413 1.00 0.00 C ATOM 1482 C GLY A 98 -0.735 0.717 -9.416 1.00 0.00 C ATOM 1483 O GLY A 98 0.124 1.487 -9.844 1.00 0.00 O ATOM 0 H GLY A 98 1.436 -0.363 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.787 -1.191 -10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.153 -1.244 -8.670 1.00 0.00 H new ATOM 1487 N GLY A 99 -1.910 1.127 -8.944 1.00 0.00 N ATOM 1488 CA GLY A 99 -2.236 2.539 -8.908 1.00 0.00 C ATOM 1489 C GLY A 99 -3.229 2.898 -7.818 1.00 0.00 C ATOM 1490 O GLY A 99 -4.043 2.072 -7.404 1.00 0.00 O ATOM 0 H GLY A 99 -2.638 0.508 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.321 3.112 -8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.645 2.835 -9.874 1.00 0.00 H new ATOM 1494 N MET A 100 -3.148 4.141 -7.356 1.00 0.00 N ATOM 1495 CA MET A 100 -4.034 4.631 -6.307 1.00 0.00 C ATOM 1496 C MET A 100 -5.143 5.496 -6.894 1.00 0.00 C ATOM 1497 O MET A 100 -5.006 6.037 -7.992 1.00 0.00 O ATOM 1498 CB MET A 100 -3.241 5.431 -5.272 1.00 0.00 C ATOM 1499 CG MET A 100 -4.039 5.770 -4.024 1.00 0.00 C ATOM 1500 SD MET A 100 -3.121 6.814 -2.875 1.00 0.00 S ATOM 1501 CE MET A 100 -3.358 5.919 -1.342 1.00 0.00 C ATOM 0 H MET A 100 -2.475 4.830 -7.693 1.00 0.00 H new ATOM 0 HA MET A 100 -4.489 3.770 -5.818 1.00 0.00 H new ATOM 0 HB2 MET A 100 -2.357 4.862 -4.984 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.890 6.355 -5.731 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.960 6.277 -4.313 1.00 0.00 H new ATOM 0 HG3 MET A 100 -4.327 4.848 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.540 6.146 -0.658 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.303 6.218 -0.889 1.00 0.00 H new ATOM 0 HE3 MET A 100 -3.375 4.848 -1.545 1.00 0.00 H new ATOM 1842 N PHE A 123 4.855 1.636 -7.408 1.00 0.00 N ATOM 1843 CA PHE A 123 5.686 0.440 -7.328 1.00 0.00 C ATOM 1844 C PHE A 123 6.023 0.110 -5.877 1.00 0.00 C ATOM 1845 O PHE A 123 6.002 0.984 -5.011 1.00 0.00 O ATOM 1846 CB PHE A 123 6.972 0.632 -8.133 1.00 0.00 C ATOM 1847 CG PHE A 123 7.617 -0.658 -8.552 1.00 0.00 C ATOM 1848 CD1 PHE A 123 8.411 -1.371 -7.669 1.00 0.00 C ATOM 1849 CD2 PHE A 123 7.428 -1.158 -9.830 1.00 0.00 C ATOM 1850 CE1 PHE A 123 9.007 -2.558 -8.051 1.00 0.00 C ATOM 1851 CE2 PHE A 123 8.021 -2.344 -10.220 1.00 0.00 C ATOM 1852 CZ PHE A 123 8.811 -3.045 -9.329 1.00 0.00 C ATOM 0 HA PHE A 123 5.124 -0.393 -7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.750 1.223 -9.022 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.681 1.207 -7.537 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.566 -0.994 -6.669 1.00 0.00 H new ATOM 0 HD2 PHE A 123 6.810 -0.615 -10.530 1.00 0.00 H new ATOM 0 HE1 PHE A 123 9.624 -3.103 -7.352 1.00 0.00 H new ATOM 0 HE2 PHE A 123 7.867 -2.722 -11.220 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.275 -3.972 -9.631 1.00 0.00 H new ATOM 1862 N ALA A 124 6.335 -1.156 -5.619 1.00 0.00 N ATOM 1863 CA ALA A 124 6.676 -1.598 -4.273 1.00 0.00 C ATOM 1864 C ALA A 124 7.611 -2.803 -4.307 1.00 0.00 C ATOM 1865 O ALA A 124 7.530 -3.640 -5.207 1.00 0.00 O ATOM 1866 CB ALA A 124 5.414 -1.931 -3.491 1.00 0.00 C ATOM 0 H ALA A 124 6.359 -1.893 -6.324 1.00 0.00 H new ATOM 0 HA ALA A 124 7.197 -0.782 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 124 5.684 -2.260 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 124 4.782 -1.045 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 124 4.870 -2.727 -4.000 1.00 0.00 H new ATOM 1872 N GLY A 125 8.495 -2.887 -3.318 1.00 0.00 N ATOM 1873 CA GLY A 125 9.432 -3.994 -3.247 1.00 0.00 C ATOM 1874 C GLY A 125 9.748 -4.384 -1.817 1.00 0.00 C ATOM 1875 O GLY A 125 9.925 -3.517 -0.961 1.00 0.00 O ATOM 0 H GLY A 125 8.579 -2.207 -2.563 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.017 -4.854 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.354 -3.721 -3.760 1.00 0.00 H new ATOM 1879 N GLY A 126 9.824 -5.684 -1.550 1.00 0.00 N ATOM 1880 CA GLY A 126 10.125 -6.133 -0.203 1.00 0.00 C ATOM 1881 C GLY A 126 10.153 -7.642 -0.066 1.00 0.00 C ATOM 1882 O GLY A 126 10.341 -8.363 -1.046 1.00 0.00 O ATOM 0 H GLY A 126 9.684 -6.428 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.091 -5.730 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.381 -5.727 0.483 1.00 0.00 H new ATOM 1886 N VAL A 127 9.967 -8.116 1.163 1.00 0.00 N ATOM 1887 CA VAL A 127 9.974 -9.547 1.441 1.00 0.00 C ATOM 1888 C VAL A 127 8.869 -9.925 2.420 1.00 0.00 C ATOM 1889 O VAL A 127 8.502 -9.142 3.297 1.00 0.00 O ATOM 1890 CB VAL A 127 11.330 -10.000 2.015 1.00 0.00 C ATOM 1891 CG1 VAL A 127 12.435 -9.815 0.988 1.00 0.00 C ATOM 1892 CG2 VAL A 127 11.649 -9.239 3.295 1.00 0.00 C ATOM 0 H VAL A 127 9.810 -7.529 1.982 1.00 0.00 H new ATOM 0 HA VAL A 127 9.801 -10.053 0.491 1.00 0.00 H new ATOM 0 HB VAL A 127 11.265 -11.061 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 127 13.385 -10.141 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 127 12.211 -10.409 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 127 12.503 -8.763 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 127 12.610 -9.572 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 127 11.694 -8.171 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 127 10.871 -9.429 4.034 1.00 0.00 H new ATOM 1902 N GLU A 128 8.345 -11.136 2.259 1.00 0.00 N ATOM 1903 CA GLU A 128 7.282 -11.635 3.123 1.00 0.00 C ATOM 1904 C GLU A 128 7.674 -12.970 3.747 1.00 0.00 C ATOM 1905 O GLU A 128 8.132 -13.882 3.057 1.00 0.00 O ATOM 1906 CB GLU A 128 5.982 -11.789 2.329 1.00 0.00 C ATOM 1907 CG GLU A 128 4.829 -12.347 3.148 1.00 0.00 C ATOM 1908 CD GLU A 128 4.570 -13.814 2.867 1.00 0.00 C ATOM 1909 OE1 GLU A 128 3.985 -14.121 1.807 1.00 0.00 O ATOM 1910 OE2 GLU A 128 4.952 -14.655 3.707 1.00 0.00 O ATOM 0 H GLU A 128 8.641 -11.791 1.536 1.00 0.00 H new ATOM 0 HA GLU A 128 7.126 -10.912 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.694 -10.817 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.162 -12.445 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.045 -12.217 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.926 -11.775 2.934 1.00 0.00 H new ATOM 1917 N TYR A 129 7.499 -13.072 5.062 1.00 0.00 N ATOM 1918 CA TYR A 129 7.842 -14.289 5.786 1.00 0.00 C ATOM 1919 C TYR A 129 6.662 -14.783 6.617 1.00 0.00 C ATOM 1920 O TYR A 129 5.874 -13.987 7.131 1.00 0.00 O ATOM 1921 CB TYR A 129 9.051 -14.040 6.691 1.00 0.00 C ATOM 1922 CG TYR A 129 9.488 -15.258 7.473 1.00 0.00 C ATOM 1923 CD1 TYR A 129 8.850 -15.613 8.655 1.00 0.00 C ATOM 1924 CD2 TYR A 129 10.540 -16.050 7.032 1.00 0.00 C ATOM 1925 CE1 TYR A 129 9.247 -16.725 9.374 1.00 0.00 C ATOM 1926 CE2 TYR A 129 10.943 -17.163 7.745 1.00 0.00 C ATOM 1927 CZ TYR A 129 10.295 -17.496 8.915 1.00 0.00 C ATOM 1928 OH TYR A 129 10.693 -18.602 9.628 1.00 0.00 O ATOM 0 H TYR A 129 7.122 -12.326 5.646 1.00 0.00 H new ATOM 0 HA TYR A 129 8.092 -15.059 5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.885 -13.693 6.081 1.00 0.00 H new ATOM 0 HB3 TYR A 129 8.812 -13.238 7.389 1.00 0.00 H new ATOM 0 HD1 TYR A 129 8.031 -15.010 9.018 1.00 0.00 H new ATOM 0 HD2 TYR A 129 11.052 -15.792 6.117 1.00 0.00 H new ATOM 0 HE1 TYR A 129 8.739 -16.989 10.290 1.00 0.00 H new ATOM 0 HE2 TYR A 129 11.762 -17.769 7.387 1.00 0.00 H new ATOM 0 HH TYR A 129 11.442 -19.035 9.169 1.00 0.00 H new ATOM 1938 N ALA A 130 6.551 -16.100 6.748 1.00 0.00 N ATOM 1939 CA ALA A 130 5.472 -16.704 7.519 1.00 0.00 C ATOM 1940 C ALA A 130 5.948 -17.082 8.917 1.00 0.00 C ATOM 1941 O ALA A 130 6.811 -17.946 9.077 1.00 0.00 O ATOM 1942 CB ALA A 130 4.926 -17.926 6.796 1.00 0.00 C ATOM 0 H ALA A 130 7.196 -16.770 6.330 1.00 0.00 H new ATOM 0 HA ALA A 130 4.672 -15.970 7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.121 -18.367 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.543 -17.630 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.723 -18.658 6.666 1.00 0.00 H new ATOM 1948 N ILE A 131 5.376 -16.438 9.929 1.00 0.00 N ATOM 1949 CA ILE A 131 5.740 -16.716 11.312 1.00 0.00 C ATOM 1950 C ILE A 131 4.874 -17.833 11.883 1.00 0.00 C ATOM 1951 O ILE A 131 5.335 -18.644 12.686 1.00 0.00 O ATOM 1952 CB ILE A 131 5.595 -15.462 12.198 1.00 0.00 C ATOM 1953 CG1 ILE A 131 4.216 -14.830 12.006 1.00 0.00 C ATOM 1954 CG2 ILE A 131 6.694 -14.460 11.880 1.00 0.00 C ATOM 1955 CD1 ILE A 131 3.871 -13.801 13.061 1.00 0.00 C ATOM 0 H ILE A 131 4.659 -15.721 9.817 1.00 0.00 H new ATOM 0 HA ILE A 131 6.785 -17.027 11.312 1.00 0.00 H new ATOM 0 HB ILE A 131 5.693 -15.760 13.242 1.00 0.00 H new ATOM 0 HG12 ILE A 131 4.174 -14.360 11.024 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.461 -15.616 12.015 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.579 -13.580 12.513 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.667 -14.916 12.066 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.626 -14.165 10.833 1.00 0.00 H new ATOM 0 HD11 ILE A 131 2.879 -13.394 12.862 1.00 0.00 H new ATOM 0 HD12 ILE A 131 3.880 -14.271 14.044 1.00 0.00 H new ATOM 0 HD13 ILE A 131 4.605 -12.995 13.037 1.00 0.00 H new ATOM 1967 N THR A 132 3.616 -17.868 11.456 1.00 0.00 N ATOM 1968 CA THR A 132 2.676 -18.883 11.914 1.00 0.00 C ATOM 1969 C THR A 132 1.691 -19.244 10.801 1.00 0.00 C ATOM 1970 O THR A 132 1.682 -18.614 9.744 1.00 0.00 O ATOM 1971 CB THR A 132 1.923 -18.394 13.155 1.00 0.00 C ATOM 1972 OG1 THR A 132 2.408 -17.130 13.571 1.00 0.00 O ATOM 1973 CG2 THR A 132 2.041 -19.335 14.335 1.00 0.00 C ATOM 0 H THR A 132 3.223 -17.202 10.791 1.00 0.00 H new ATOM 0 HA THR A 132 3.239 -19.778 12.180 1.00 0.00 H new ATOM 0 HB THR A 132 0.877 -18.339 12.853 1.00 0.00 H new ATOM 0 HG1 THR A 132 1.913 -16.834 14.364 1.00 0.00 H new ATOM 0 HG21 THR A 132 1.485 -18.930 15.181 1.00 0.00 H new ATOM 0 HG22 THR A 132 1.633 -20.309 14.066 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.090 -19.445 14.609 1.00 0.00 H new ATOM 1981 N PRO A 133 0.852 -20.270 11.022 1.00 0.00 N ATOM 1982 CA PRO A 133 -0.132 -20.713 10.027 1.00 0.00 C ATOM 1983 C PRO A 133 -1.041 -19.583 9.552 1.00 0.00 C ATOM 1984 O PRO A 133 -1.061 -19.248 8.368 1.00 0.00 O ATOM 1985 CB PRO A 133 -0.946 -21.773 10.775 1.00 0.00 C ATOM 1986 CG PRO A 133 -0.034 -22.266 11.844 1.00 0.00 C ATOM 1987 CD PRO A 133 0.797 -21.083 12.252 1.00 0.00 C ATOM 0 HA PRO A 133 0.351 -21.083 9.123 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.857 -21.348 11.197 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.250 -22.581 10.110 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -0.599 -22.657 12.690 1.00 0.00 H new ATOM 0 HG3 PRO A 133 0.595 -23.078 11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 133 0.341 -20.535 13.077 1.00 0.00 H new ATOM 0 HD3 PRO A 133 1.792 -21.384 12.581 1.00 0.00 H new ATOM 1995 N GLU A 134 -1.803 -19.010 10.478 1.00 0.00 N ATOM 1996 CA GLU A 134 -2.724 -17.929 10.144 1.00 0.00 C ATOM 1997 C GLU A 134 -2.144 -16.562 10.496 1.00 0.00 C ATOM 1998 O GLU A 134 -2.888 -15.609 10.733 1.00 0.00 O ATOM 1999 CB GLU A 134 -4.055 -18.128 10.870 1.00 0.00 C ATOM 2000 CG GLU A 134 -4.843 -19.332 10.377 1.00 0.00 C ATOM 2001 CD GLU A 134 -5.960 -18.947 9.427 1.00 0.00 C ATOM 2002 OE1 GLU A 134 -6.528 -17.847 9.593 1.00 0.00 O ATOM 2003 OE2 GLU A 134 -6.267 -19.745 8.517 1.00 0.00 O ATOM 0 H GLU A 134 -1.801 -19.275 11.463 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.887 -17.957 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.864 -18.241 11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.663 -17.232 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.166 -20.024 9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.264 -19.861 11.232 1.00 0.00 H new ATOM 2010 N ILE A 135 -0.818 -16.465 10.532 1.00 0.00 N ATOM 2011 CA ILE A 135 -0.161 -15.204 10.859 1.00 0.00 C ATOM 2012 C ILE A 135 1.127 -15.019 10.061 1.00 0.00 C ATOM 2013 O ILE A 135 2.081 -15.782 10.212 1.00 0.00 O ATOM 2014 CB ILE A 135 0.169 -15.114 12.362 1.00 0.00 C ATOM 2015 CG1 ILE A 135 -1.056 -15.475 13.204 1.00 0.00 C ATOM 2016 CG2 ILE A 135 0.665 -13.719 12.712 1.00 0.00 C ATOM 2017 CD1 ILE A 135 -1.166 -16.953 13.510 1.00 0.00 C ATOM 0 H ILE A 135 -0.181 -17.239 10.340 1.00 0.00 H new ATOM 0 HA ILE A 135 -0.863 -14.413 10.595 1.00 0.00 H new ATOM 0 HB ILE A 135 0.961 -15.829 12.586 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -1.019 -14.920 14.141 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.955 -15.153 12.679 1.00 0.00 H new ATOM 0 HG21 ILE A 135 0.894 -13.671 13.777 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.564 -13.498 12.137 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -0.107 -12.988 12.474 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.058 -17.135 14.110 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.235 -17.513 12.578 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -0.284 -17.277 14.063 1.00 0.00 H new ATOM 2029 N ALA A 136 1.141 -13.995 9.214 1.00 0.00 N ATOM 2030 CA ALA A 136 2.308 -13.697 8.390 1.00 0.00 C ATOM 2031 C ALA A 136 2.734 -12.242 8.553 1.00 0.00 C ATOM 2032 O ALA A 136 1.938 -11.395 8.960 1.00 0.00 O ATOM 2033 CB ALA A 136 2.012 -14.002 6.929 1.00 0.00 C ATOM 0 H ALA A 136 0.357 -13.357 9.080 1.00 0.00 H new ATOM 0 HA ALA A 136 3.131 -14.330 8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 136 2.890 -13.775 6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.760 -15.057 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.173 -13.392 6.593 1.00 0.00 H new ATOM 2039 N THR A 137 3.992 -11.955 8.231 1.00 0.00 N ATOM 2040 CA THR A 137 4.517 -10.599 8.340 1.00 0.00 C ATOM 2041 C THR A 137 5.450 -10.295 7.174 1.00 0.00 C ATOM 2042 O THR A 137 6.245 -11.145 6.772 1.00 0.00 O ATOM 2043 CB THR A 137 5.259 -10.419 9.664 1.00 0.00 C ATOM 2044 OG1 THR A 137 6.486 -11.126 9.652 1.00 0.00 O ATOM 2045 CG2 THR A 137 4.467 -10.895 10.863 1.00 0.00 C ATOM 0 H THR A 137 4.665 -12.643 7.893 1.00 0.00 H new ATOM 0 HA THR A 137 3.679 -9.903 8.310 1.00 0.00 H new ATOM 0 HB THR A 137 5.423 -9.346 9.759 1.00 0.00 H new ATOM 0 HG1 THR A 137 6.946 -10.997 10.507 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.051 -10.739 11.770 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.535 -10.333 10.930 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.244 -11.956 10.754 1.00 0.00 H new ATOM 2053 N ARG A 138 5.346 -9.092 6.621 1.00 0.00 N ATOM 2054 CA ARG A 138 6.186 -8.713 5.491 1.00 0.00 C ATOM 2055 C ARG A 138 6.526 -7.227 5.507 1.00 0.00 C ATOM 2056 O ARG A 138 5.754 -6.403 5.996 1.00 0.00 O ATOM 2057 CB ARG A 138 5.488 -9.067 4.177 1.00 0.00 C ATOM 2058 CG ARG A 138 4.169 -8.340 3.974 1.00 0.00 C ATOM 2059 CD ARG A 138 3.000 -9.143 4.522 1.00 0.00 C ATOM 2060 NE ARG A 138 1.765 -8.363 4.546 1.00 0.00 N ATOM 2061 CZ ARG A 138 1.077 -8.028 3.456 1.00 0.00 C ATOM 2062 NH1 ARG A 138 1.500 -8.406 2.255 1.00 0.00 N ATOM 2063 NH2 ARG A 138 -0.036 -7.316 3.567 1.00 0.00 N ATOM 0 H ARG A 138 4.696 -8.370 6.932 1.00 0.00 H new ATOM 0 HA ARG A 138 7.119 -9.270 5.576 1.00 0.00 H new ATOM 0 HB2 ARG A 138 6.154 -8.832 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 138 5.309 -10.142 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 138 4.208 -7.369 4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.016 -8.152 2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 138 2.854 -10.034 3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 138 3.234 -9.482 5.531 1.00 0.00 H new ATOM 0 HE ARG A 138 1.408 -8.057 5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 138 2.355 -8.955 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.970 -8.147 1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -0.365 -7.025 4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -0.563 -7.060 2.732 1.00 0.00 H new ATOM 2077 N LEU A 139 7.687 -6.902 4.949 1.00 0.00 N ATOM 2078 CA LEU A 139 8.147 -5.521 4.870 1.00 0.00 C ATOM 2079 C LEU A 139 8.304 -5.114 3.410 1.00 0.00 C ATOM 2080 O LEU A 139 8.765 -5.907 2.587 1.00 0.00 O ATOM 2081 CB LEU A 139 9.477 -5.357 5.608 1.00 0.00 C ATOM 2082 CG LEU A 139 9.356 -5.086 7.109 1.00 0.00 C ATOM 2083 CD1 LEU A 139 8.939 -6.347 7.847 1.00 0.00 C ATOM 2084 CD2 LEU A 139 10.671 -4.554 7.659 1.00 0.00 C ATOM 0 H LEU A 139 8.330 -7.581 4.542 1.00 0.00 H new ATOM 0 HA LEU A 139 7.408 -4.876 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 139 10.069 -6.261 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 139 10.031 -4.537 5.150 1.00 0.00 H new ATOM 0 HG LEU A 139 8.586 -4.330 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 139 8.858 -6.135 8.913 1.00 0.00 H new ATOM 0 HD12 LEU A 139 7.974 -6.687 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 139 9.685 -7.125 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 139 10.569 -4.366 8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 139 11.459 -5.289 7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 139 10.929 -3.625 7.150 1.00 0.00 H new ATOM 2096 N GLU A 140 7.910 -3.888 3.083 1.00 0.00 N ATOM 2097 CA GLU A 140 8.005 -3.411 1.709 1.00 0.00 C ATOM 2098 C GLU A 140 8.387 -1.938 1.653 1.00 0.00 C ATOM 2099 O GLU A 140 8.059 -1.164 2.551 1.00 0.00 O ATOM 2100 CB GLU A 140 6.678 -3.635 0.980 1.00 0.00 C ATOM 2101 CG GLU A 140 6.751 -4.696 -0.105 1.00 0.00 C ATOM 2102 CD GLU A 140 6.010 -4.294 -1.365 1.00 0.00 C ATOM 2103 OE1 GLU A 140 4.899 -3.736 -1.248 1.00 0.00 O ATOM 2104 OE2 GLU A 140 6.542 -4.536 -2.469 1.00 0.00 O ATOM 0 H GLU A 140 7.526 -3.213 3.744 1.00 0.00 H new ATOM 0 HA GLU A 140 8.791 -3.981 1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.918 -3.922 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 140 6.354 -2.694 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 140 7.796 -4.890 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.334 -5.629 0.275 1.00 0.00 H new ATOM 2111 N TYR A 141 9.081 -1.562 0.586 1.00 0.00 N ATOM 2112 CA TYR A 141 9.513 -0.186 0.398 1.00 0.00 C ATOM 2113 C TYR A 141 8.955 0.387 -0.900 1.00 0.00 C ATOM 2114 O TYR A 141 8.608 -0.356 -1.819 1.00 0.00 O ATOM 2115 CB TYR A 141 11.041 -0.106 0.389 1.00 0.00 C ATOM 2116 CG TYR A 141 11.686 -0.687 1.627 1.00 0.00 C ATOM 2117 CD1 TYR A 141 11.634 -2.050 1.886 1.00 0.00 C ATOM 2118 CD2 TYR A 141 12.348 0.129 2.538 1.00 0.00 C ATOM 2119 CE1 TYR A 141 12.222 -2.585 3.017 1.00 0.00 C ATOM 2120 CE2 TYR A 141 12.937 -0.398 3.670 1.00 0.00 C ATOM 2121 CZ TYR A 141 12.872 -1.756 3.905 1.00 0.00 C ATOM 2122 OH TYR A 141 13.459 -2.285 5.032 1.00 0.00 O ATOM 0 H TYR A 141 9.357 -2.195 -0.165 1.00 0.00 H new ATOM 0 HA TYR A 141 9.130 0.406 1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 141 11.419 -0.632 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 141 11.341 0.937 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 141 11.126 -2.703 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 141 12.402 1.192 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 141 12.172 -3.648 3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 141 13.446 0.250 4.368 1.00 0.00 H new ATOM 0 HH TYR A 141 13.876 -1.566 5.552 1.00 0.00 H new ATOM 2419 N LEU A 162 9.600 3.207 3.554 1.00 0.00 N ATOM 2420 CA LEU A 162 9.835 2.002 4.344 1.00 0.00 C ATOM 2421 C LEU A 162 8.581 1.641 5.135 1.00 0.00 C ATOM 2422 O LEU A 162 8.129 2.414 5.979 1.00 0.00 O ATOM 2423 CB LEU A 162 11.015 2.208 5.297 1.00 0.00 C ATOM 2424 CG LEU A 162 12.200 2.973 4.704 1.00 0.00 C ATOM 2425 CD1 LEU A 162 11.992 4.473 4.844 1.00 0.00 C ATOM 2426 CD2 LEU A 162 13.497 2.549 5.377 1.00 0.00 C ATOM 0 HA LEU A 162 10.075 1.183 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 162 10.661 2.743 6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 162 11.364 1.232 5.635 1.00 0.00 H new ATOM 0 HG LEU A 162 12.268 2.734 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 162 12.845 5.000 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 162 11.084 4.765 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 162 11.898 4.730 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 162 14.330 3.103 4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 162 13.438 2.759 6.445 1.00 0.00 H new ATOM 0 HD23 LEU A 162 13.653 1.481 5.225 1.00 0.00 H new ATOM 2438 N SER A 163 8.012 0.470 4.849 1.00 0.00 N ATOM 2439 CA SER A 163 6.800 0.034 5.534 1.00 0.00 C ATOM 2440 C SER A 163 6.909 -1.407 6.020 1.00 0.00 C ATOM 2441 O SER A 163 7.664 -2.213 5.472 1.00 0.00 O ATOM 2442 CB SER A 163 5.590 0.179 4.610 1.00 0.00 C ATOM 2443 OG SER A 163 5.655 -0.741 3.535 1.00 0.00 O ATOM 0 H SER A 163 8.368 -0.187 4.154 1.00 0.00 H new ATOM 0 HA SER A 163 6.671 0.672 6.408 1.00 0.00 H new ATOM 0 HB2 SER A 163 4.674 0.016 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 163 5.546 1.196 4.220 1.00 0.00 H new ATOM 0 HG SER A 163 6.533 -0.679 3.104 1.00 0.00 H new ATOM 2449 N LEU A 164 6.125 -1.719 7.047 1.00 0.00 N ATOM 2450 CA LEU A 164 6.088 -3.056 7.626 1.00 0.00 C ATOM 2451 C LEU A 164 4.659 -3.399 8.037 1.00 0.00 C ATOM 2452 O LEU A 164 4.022 -2.650 8.780 1.00 0.00 O ATOM 2453 CB LEU A 164 7.018 -3.143 8.840 1.00 0.00 C ATOM 2454 CG LEU A 164 8.298 -2.311 8.740 1.00 0.00 C ATOM 2455 CD1 LEU A 164 8.001 -0.842 8.999 1.00 0.00 C ATOM 2456 CD2 LEU A 164 9.345 -2.826 9.717 1.00 0.00 C ATOM 0 H LEU A 164 5.499 -1.053 7.500 1.00 0.00 H new ATOM 0 HA LEU A 164 6.430 -3.771 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.466 -2.826 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 164 7.293 -4.187 8.993 1.00 0.00 H new ATOM 0 HG LEU A 164 8.694 -2.407 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.923 -0.266 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 164 7.285 -0.480 8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.581 -0.726 9.998 1.00 0.00 H new ATOM 0 HD21 LEU A 164 10.249 -2.223 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 164 8.958 -2.759 10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 164 9.579 -3.865 9.485 1.00 0.00 H new ATOM 2468 N GLY A 165 4.153 -4.523 7.538 1.00 0.00 N ATOM 2469 CA GLY A 165 2.796 -4.917 7.864 1.00 0.00 C ATOM 2470 C GLY A 165 2.625 -6.414 8.029 1.00 0.00 C ATOM 2471 O GLY A 165 3.471 -7.199 7.599 1.00 0.00 O ATOM 0 H GLY A 165 4.653 -5.162 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 165 2.493 -4.421 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 165 2.126 -4.567 7.079 1.00 0.00 H new ATOM 2475 N VAL A 166 1.515 -6.802 8.646 1.00 0.00 N ATOM 2476 CA VAL A 166 1.213 -8.211 8.863 1.00 0.00 C ATOM 2477 C VAL A 166 0.065 -8.649 7.965 1.00 0.00 C ATOM 2478 O VAL A 166 -0.819 -7.851 7.652 1.00 0.00 O ATOM 2479 CB VAL A 166 0.842 -8.492 10.331 1.00 0.00 C ATOM 2480 CG1 VAL A 166 2.043 -8.274 11.238 1.00 0.00 C ATOM 2481 CG2 VAL A 166 -0.326 -7.618 10.761 1.00 0.00 C ATOM 0 H VAL A 166 0.809 -6.160 9.005 1.00 0.00 H new ATOM 0 HA VAL A 166 2.112 -8.777 8.619 1.00 0.00 H new ATOM 0 HB VAL A 166 0.538 -9.535 10.417 1.00 0.00 H new ATOM 0 HG11 VAL A 166 1.761 -8.478 12.271 1.00 0.00 H new ATOM 0 HG12 VAL A 166 2.849 -8.946 10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 166 2.382 -7.242 11.151 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -0.575 -7.829 11.801 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -0.051 -6.568 10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -1.190 -7.829 10.131 1.00 0.00 H new ATOM 2491 N SER A 167 0.079 -9.908 7.538 1.00 0.00 N ATOM 2492 CA SER A 167 -0.970 -10.417 6.663 1.00 0.00 C ATOM 2493 C SER A 167 -1.445 -11.802 7.092 1.00 0.00 C ATOM 2494 O SER A 167 -0.670 -12.610 7.607 1.00 0.00 O ATOM 2495 CB SER A 167 -0.473 -10.465 5.217 1.00 0.00 C ATOM 2496 OG SER A 167 -1.327 -11.258 4.410 1.00 0.00 O ATOM 0 H SER A 167 0.799 -10.589 7.781 1.00 0.00 H new ATOM 0 HA SER A 167 -1.817 -9.735 6.737 1.00 0.00 H new ATOM 0 HB2 SER A 167 -0.421 -9.454 4.813 1.00 0.00 H new ATOM 0 HB3 SER A 167 0.538 -10.871 5.190 1.00 0.00 H new ATOM 0 HG SER A 167 -0.989 -11.271 3.490 1.00 0.00 H new ATOM 2502 N TYR A 168 -2.729 -12.061 6.873 1.00 0.00 N ATOM 2503 CA TYR A 168 -3.329 -13.342 7.227 1.00 0.00 C ATOM 2504 C TYR A 168 -3.753 -14.104 5.976 1.00 0.00 C ATOM 2505 O TYR A 168 -4.394 -13.547 5.084 1.00 0.00 O ATOM 2506 CB TYR A 168 -4.536 -13.128 8.143 1.00 0.00 C ATOM 2507 CG TYR A 168 -4.253 -12.217 9.316 1.00 0.00 C ATOM 2508 CD1 TYR A 168 -3.202 -12.479 10.185 1.00 0.00 C ATOM 2509 CD2 TYR A 168 -5.038 -11.095 9.553 1.00 0.00 C ATOM 2510 CE1 TYR A 168 -2.941 -11.649 11.259 1.00 0.00 C ATOM 2511 CE2 TYR A 168 -4.782 -10.260 10.624 1.00 0.00 C ATOM 2512 CZ TYR A 168 -3.733 -10.541 11.474 1.00 0.00 C ATOM 2513 OH TYR A 168 -3.475 -9.712 12.541 1.00 0.00 O ATOM 0 H TYR A 168 -3.377 -11.397 6.450 1.00 0.00 H new ATOM 0 HA TYR A 168 -2.582 -13.933 7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -5.355 -12.710 7.558 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -4.873 -14.095 8.518 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -2.579 -13.345 10.019 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -5.861 -10.872 8.890 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -2.121 -11.867 11.927 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -5.401 -9.391 10.795 1.00 0.00 H new ATOM 0 HH TYR A 168 -4.124 -8.978 12.549 1.00 0.00 H new ATOM 2523 N ARG A 169 -3.385 -15.381 5.917 1.00 0.00 N ATOM 2524 CA ARG A 169 -3.721 -16.223 4.775 1.00 0.00 C ATOM 2525 C ARG A 169 -4.794 -17.244 5.142 1.00 0.00 C ATOM 2526 O ARG A 169 -4.596 -18.080 6.023 1.00 0.00 O ATOM 2527 CB ARG A 169 -2.471 -16.943 4.264 1.00 0.00 C ATOM 2528 CG ARG A 169 -1.843 -17.874 5.287 1.00 0.00 C ATOM 2529 CD ARG A 169 -0.327 -17.772 5.280 1.00 0.00 C ATOM 2530 NE ARG A 169 0.219 -17.811 3.924 1.00 0.00 N ATOM 2531 CZ ARG A 169 1.443 -17.400 3.606 1.00 0.00 C ATOM 2532 NH1 ARG A 169 2.253 -16.916 4.540 1.00 0.00 N ATOM 2533 NH2 ARG A 169 1.860 -17.470 2.349 1.00 0.00 N ATOM 0 H ARG A 169 -2.854 -15.855 6.648 1.00 0.00 H new ATOM 0 HA ARG A 169 -4.114 -15.581 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -2.731 -17.517 3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -1.733 -16.200 3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -2.220 -17.631 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -2.140 -18.901 5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -0.024 -16.845 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 169 0.094 -18.590 5.864 1.00 0.00 H new ATOM 0 HE ARG A 169 -0.374 -18.175 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 169 1.938 -16.858 5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 169 3.191 -16.602 4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 169 1.242 -17.839 1.626 1.00 0.00 H new ATOM 0 HH22 ARG A 169 2.799 -17.155 2.105 1.00 0.00 H new ATOM 2547 N PHE A 170 -5.932 -17.167 4.459 1.00 0.00 N ATOM 2548 CA PHE A 170 -7.038 -18.083 4.711 1.00 0.00 C ATOM 2549 C PHE A 170 -6.828 -19.404 3.979 1.00 0.00 C ATOM 2550 O PHE A 170 -6.132 -19.461 2.965 1.00 0.00 O ATOM 2551 CB PHE A 170 -8.361 -17.451 4.276 1.00 0.00 C ATOM 2552 CG PHE A 170 -8.803 -16.318 5.157 1.00 0.00 C ATOM 2553 CD1 PHE A 170 -9.319 -16.566 6.420 1.00 0.00 C ATOM 2554 CD2 PHE A 170 -8.703 -15.006 4.723 1.00 0.00 C ATOM 2555 CE1 PHE A 170 -9.727 -15.525 7.232 1.00 0.00 C ATOM 2556 CE2 PHE A 170 -9.109 -13.961 5.532 1.00 0.00 C ATOM 2557 CZ PHE A 170 -9.622 -14.221 6.788 1.00 0.00 C ATOM 0 H PHE A 170 -6.112 -16.480 3.727 1.00 0.00 H new ATOM 0 HA PHE A 170 -7.074 -18.283 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -8.262 -17.088 3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -9.135 -18.218 4.268 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -9.403 -17.583 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -8.303 -14.797 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -10.128 -15.731 8.214 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -9.025 -12.943 5.182 1.00 0.00 H new ATOM 0 HZ PHE A 170 -9.940 -13.406 7.422 1.00 0.00 H new