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 44 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Set 1.2: A 94 TYR OH : rot 150:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 101:sc= 0.196 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 46 ASN : amide:sc= -6.84 K(o=-6.8,f=-5.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -136:sc= -3.72! (180deg=-6.81!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.97 K(o=-2,f=-8!) USER MOD Single : A 80 THR OG1 : rot 90:sc= 0.384 USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.553 (180deg=-1.14) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 95 THR OG1 : rot 34:sc= 1.11 USER MOD Single : A 100 MET CE :methyl -170:sc= 0 (180deg=-0.0983) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 137 THR OG1 : rot 113:sc= -0.724! USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 167 SER OG : rot 70:sc= -0.647 USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N THR A 6 -6.012 -18.315 -3.903 1.00 0.00 N ATOM 93 CA THR A 6 -6.241 -18.081 -2.478 1.00 0.00 C ATOM 94 C THR A 6 -6.272 -16.588 -2.175 1.00 0.00 C ATOM 95 O THR A 6 -5.931 -15.764 -3.023 1.00 0.00 O ATOM 96 CB THR A 6 -5.152 -18.761 -1.646 1.00 0.00 C ATOM 97 OG1 THR A 6 -3.894 -18.152 -1.875 1.00 0.00 O ATOM 98 CG2 THR A 6 -5.009 -20.239 -1.940 1.00 0.00 C ATOM 0 HA THR A 6 -7.208 -18.509 -2.214 1.00 0.00 H new ATOM 0 HB THR A 6 -5.464 -18.643 -0.608 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.211 -18.599 -1.333 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.220 -20.659 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.950 -20.745 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.754 -20.378 -2.991 1.00 0.00 H new ATOM 106 N TRP A 7 -6.700 -16.247 -0.960 1.00 0.00 N ATOM 107 CA TRP A 7 -6.793 -14.852 -0.547 1.00 0.00 C ATOM 108 C TRP A 7 -6.082 -14.609 0.782 1.00 0.00 C ATOM 109 O TRP A 7 -5.805 -15.542 1.535 1.00 0.00 O ATOM 110 CB TRP A 7 -8.260 -14.434 -0.433 1.00 0.00 C ATOM 111 CG TRP A 7 -9.003 -15.156 0.650 1.00 0.00 C ATOM 112 CD1 TRP A 7 -9.435 -16.451 0.625 1.00 0.00 C ATOM 113 CD2 TRP A 7 -9.402 -14.623 1.917 1.00 0.00 C ATOM 114 NE1 TRP A 7 -10.078 -16.756 1.800 1.00 0.00 N ATOM 115 CE2 TRP A 7 -10.071 -15.651 2.610 1.00 0.00 C ATOM 116 CE3 TRP A 7 -9.259 -13.377 2.535 1.00 0.00 C ATOM 117 CZ2 TRP A 7 -10.595 -15.470 3.888 1.00 0.00 C ATOM 118 CZ3 TRP A 7 -9.779 -13.199 3.804 1.00 0.00 C ATOM 119 CH2 TRP A 7 -10.440 -14.241 4.468 1.00 0.00 C ATOM 0 H TRP A 7 -6.987 -16.918 -0.247 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.299 -14.249 -1.308 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -8.311 -13.362 -0.245 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -8.757 -14.615 -1.386 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.292 -17.135 -0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.493 -17.658 2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.752 -12.568 2.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.105 -16.271 4.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.674 -12.241 4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.835 -14.070 5.458 1.00 0.00 H new ATOM 130 N TYR A 8 -5.805 -13.341 1.061 1.00 0.00 N ATOM 131 CA TYR A 8 -5.141 -12.949 2.299 1.00 0.00 C ATOM 132 C TYR A 8 -5.476 -11.505 2.657 1.00 0.00 C ATOM 133 O TYR A 8 -5.847 -10.710 1.793 1.00 0.00 O ATOM 134 CB TYR A 8 -3.624 -13.127 2.185 1.00 0.00 C ATOM 135 CG TYR A 8 -3.055 -12.742 0.836 1.00 0.00 C ATOM 136 CD1 TYR A 8 -3.244 -13.552 -0.277 1.00 0.00 C ATOM 137 CD2 TYR A 8 -2.324 -11.571 0.679 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.721 -13.205 -1.508 1.00 0.00 C ATOM 139 CE2 TYR A 8 -1.799 -11.218 -0.549 1.00 0.00 C ATOM 140 CZ TYR A 8 -2.000 -12.038 -1.639 1.00 0.00 C ATOM 141 OH TYR A 8 -1.477 -11.689 -2.863 1.00 0.00 O ATOM 0 H TYR A 8 -6.031 -12.562 0.443 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.506 -13.598 3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.140 -12.527 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.375 -14.169 2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.809 -14.467 -0.178 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -2.164 -10.926 1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.877 -13.845 -2.364 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.234 -10.304 -0.655 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.051 -11.016 -3.284 1.00 0.00 H new ATOM 151 N THR A 9 -5.343 -11.171 3.937 1.00 0.00 N ATOM 152 CA THR A 9 -5.631 -9.821 4.411 1.00 0.00 C ATOM 153 C THR A 9 -4.749 -9.470 5.603 1.00 0.00 C ATOM 154 O THR A 9 -4.332 -10.351 6.355 1.00 0.00 O ATOM 155 CB THR A 9 -7.106 -9.697 4.798 1.00 0.00 C ATOM 156 OG1 THR A 9 -7.484 -10.743 5.673 1.00 0.00 O ATOM 157 CG2 THR A 9 -8.040 -9.732 3.608 1.00 0.00 C ATOM 0 H THR A 9 -5.038 -11.817 4.665 1.00 0.00 H new ATOM 0 HA THR A 9 -5.417 -9.122 3.602 1.00 0.00 H new ATOM 0 HB THR A 9 -7.198 -8.725 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.430 -10.645 5.910 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.070 -9.640 3.951 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.806 -8.906 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.918 -10.676 3.077 1.00 0.00 H new ATOM 165 N GLY A 10 -4.463 -8.183 5.776 1.00 0.00 N ATOM 166 CA GLY A 10 -3.628 -7.766 6.886 1.00 0.00 C ATOM 167 C GLY A 10 -3.593 -6.266 7.081 1.00 0.00 C ATOM 168 O GLY A 10 -4.409 -5.532 6.519 1.00 0.00 O ATOM 0 H GLY A 10 -4.791 -7.428 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.991 -8.235 7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.613 -8.128 6.723 1.00 0.00 H new ATOM 172 N ALA A 11 -2.629 -5.814 7.876 1.00 0.00 N ATOM 173 CA ALA A 11 -2.457 -4.395 8.153 1.00 0.00 C ATOM 174 C ALA A 11 -1.013 -3.980 7.902 1.00 0.00 C ATOM 175 O ALA A 11 -0.102 -4.803 8.007 1.00 0.00 O ATOM 176 CB ALA A 11 -2.863 -4.080 9.584 1.00 0.00 C ATOM 0 H ALA A 11 -1.951 -6.416 8.342 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.102 -3.828 7.482 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.728 -3.015 9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.910 -4.346 9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.242 -4.653 10.273 1.00 0.00 H new ATOM 182 N LYS A 12 -0.797 -2.716 7.559 1.00 0.00 N ATOM 183 CA LYS A 12 0.553 -2.240 7.284 1.00 0.00 C ATOM 184 C LYS A 12 0.801 -0.854 7.867 1.00 0.00 C ATOM 185 O LYS A 12 -0.110 -0.033 7.976 1.00 0.00 O ATOM 186 CB LYS A 12 0.806 -2.220 5.776 1.00 0.00 C ATOM 187 CG LYS A 12 -0.291 -1.528 4.983 1.00 0.00 C ATOM 188 CD LYS A 12 0.070 -0.084 4.676 1.00 0.00 C ATOM 189 CE LYS A 12 -0.481 0.353 3.329 1.00 0.00 C ATOM 190 NZ LYS A 12 0.460 1.254 2.608 1.00 0.00 N ATOM 0 H LYS A 12 -1.528 -2.011 7.465 1.00 0.00 H new ATOM 0 HA LYS A 12 1.246 -2.931 7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.754 -1.719 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.909 -3.245 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.463 -2.067 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.224 -1.559 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.323 0.565 5.459 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.154 0.030 4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.682 -0.526 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.433 0.864 3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.046 1.529 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.632 2.105 3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.360 0.758 2.445 1.00 0.00 H new ATOM 204 N LEU A 13 2.059 -0.605 8.212 1.00 0.00 N ATOM 205 CA LEU A 13 2.481 0.678 8.760 1.00 0.00 C ATOM 206 C LEU A 13 3.823 1.054 8.144 1.00 0.00 C ATOM 207 O LEU A 13 4.810 0.342 8.326 1.00 0.00 O ATOM 208 CB LEU A 13 2.602 0.597 10.285 1.00 0.00 C ATOM 209 CG LEU A 13 1.481 1.286 11.066 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.233 0.417 11.086 1.00 0.00 C ATOM 211 CD2 LEU A 13 1.936 1.598 12.484 1.00 0.00 C ATOM 0 H LEU A 13 2.813 -1.285 8.120 1.00 0.00 H new ATOM 0 HA LEU A 13 1.738 1.439 8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.633 -0.453 10.576 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.554 1.038 10.582 1.00 0.00 H new ATOM 0 HG LEU A 13 1.239 2.224 10.567 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.554 0.923 11.646 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.104 0.241 10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.461 -0.537 11.562 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.127 2.088 13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.205 0.672 12.992 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.803 2.258 12.451 1.00 0.00 H new ATOM 556 N ALA A 37 0.212 4.493 8.721 1.00 0.00 N ATOM 557 CA ALA A 37 -0.548 3.286 9.025 1.00 0.00 C ATOM 558 C ALA A 37 -1.649 3.038 7.998 1.00 0.00 C ATOM 559 O ALA A 37 -2.197 3.974 7.417 1.00 0.00 O ATOM 560 CB ALA A 37 -1.143 3.379 10.422 1.00 0.00 C ATOM 0 HA ALA A 37 0.140 2.442 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.708 2.472 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.341 3.489 11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.806 4.242 10.478 1.00 0.00 H new ATOM 566 N GLY A 38 -1.963 1.763 7.783 1.00 0.00 N ATOM 567 CA GLY A 38 -2.995 1.407 6.826 1.00 0.00 C ATOM 568 C GLY A 38 -3.341 -0.070 6.839 1.00 0.00 C ATOM 569 O GLY A 38 -2.760 -0.848 7.596 1.00 0.00 O ATOM 0 H GLY A 38 -1.522 0.972 8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.894 1.986 7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.665 1.687 5.826 1.00 0.00 H new ATOM 573 N ALA A 39 -4.287 -0.452 5.986 1.00 0.00 N ATOM 574 CA ALA A 39 -4.715 -1.843 5.883 1.00 0.00 C ATOM 575 C ALA A 39 -4.671 -2.310 4.434 1.00 0.00 C ATOM 576 O ALA A 39 -4.790 -1.499 3.515 1.00 0.00 O ATOM 577 CB ALA A 39 -6.115 -2.010 6.455 1.00 0.00 C ATOM 0 H ALA A 39 -4.773 0.185 5.354 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.028 -2.460 6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.420 -3.053 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.117 -1.715 7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.812 -1.382 5.900 1.00 0.00 H new ATOM 583 N PHE A 40 -4.492 -3.612 4.219 1.00 0.00 N ATOM 584 CA PHE A 40 -4.429 -4.136 2.860 1.00 0.00 C ATOM 585 C PHE A 40 -4.724 -5.631 2.804 1.00 0.00 C ATOM 586 O PHE A 40 -4.717 -6.324 3.822 1.00 0.00 O ATOM 587 CB PHE A 40 -3.051 -3.856 2.253 1.00 0.00 C ATOM 588 CG PHE A 40 -1.941 -4.666 2.863 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.663 -4.576 4.217 1.00 0.00 C ATOM 590 CD2 PHE A 40 -1.179 -5.517 2.079 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.643 -5.322 4.779 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.158 -6.265 2.636 1.00 0.00 C ATOM 593 CZ PHE A 40 0.110 -6.167 3.987 1.00 0.00 C ATOM 0 H PHE A 40 -4.390 -4.311 4.955 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.199 -3.627 2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.089 -4.057 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.822 -2.797 2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.249 -3.917 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.385 -5.597 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.435 -5.244 5.836 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.429 -6.925 2.015 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.907 -6.750 4.424 1.00 0.00 H new ATOM 603 N GLY A 41 -4.976 -6.112 1.591 1.00 0.00 N ATOM 604 CA GLY A 41 -5.266 -7.517 1.376 1.00 0.00 C ATOM 605 C GLY A 41 -4.924 -7.942 -0.037 1.00 0.00 C ATOM 606 O GLY A 41 -4.783 -7.098 -0.920 1.00 0.00 O ATOM 0 H GLY A 41 -4.984 -5.545 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.700 -8.120 2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.322 -7.706 1.569 1.00 0.00 H new ATOM 610 N GLY A 42 -4.777 -9.244 -0.258 1.00 0.00 N ATOM 611 CA GLY A 42 -4.438 -9.716 -1.588 1.00 0.00 C ATOM 612 C GLY A 42 -4.933 -11.119 -1.879 1.00 0.00 C ATOM 613 O GLY A 42 -5.290 -11.866 -0.969 1.00 0.00 O ATOM 0 H GLY A 42 -4.885 -9.972 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.858 -9.032 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.355 -9.690 -1.709 1.00 0.00 H new ATOM 617 N TYR A 43 -4.949 -11.466 -3.161 1.00 0.00 N ATOM 618 CA TYR A 43 -5.396 -12.781 -3.603 1.00 0.00 C ATOM 619 C TYR A 43 -4.403 -13.377 -4.593 1.00 0.00 C ATOM 620 O TYR A 43 -3.987 -12.713 -5.542 1.00 0.00 O ATOM 621 CB TYR A 43 -6.781 -12.678 -4.249 1.00 0.00 C ATOM 622 CG TYR A 43 -7.329 -14.001 -4.741 1.00 0.00 C ATOM 623 CD1 TYR A 43 -6.779 -14.634 -5.849 1.00 0.00 C ATOM 624 CD2 TYR A 43 -8.398 -14.611 -4.100 1.00 0.00 C ATOM 625 CE1 TYR A 43 -7.280 -15.841 -6.302 1.00 0.00 C ATOM 626 CE2 TYR A 43 -8.904 -15.818 -4.545 1.00 0.00 C ATOM 627 CZ TYR A 43 -8.342 -16.428 -5.647 1.00 0.00 C ATOM 628 OH TYR A 43 -8.842 -17.630 -6.094 1.00 0.00 O ATOM 0 H TYR A 43 -4.655 -10.849 -3.918 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.457 -13.435 -2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -7.478 -12.254 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.729 -11.983 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.947 -14.176 -6.364 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.842 -14.135 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.842 -16.321 -7.164 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.735 -16.281 -4.033 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.588 -17.907 -5.522 1.00 0.00 H new ATOM 638 N GLN A 44 -4.037 -14.638 -4.383 1.00 0.00 N ATOM 639 CA GLN A 44 -3.108 -15.320 -5.275 1.00 0.00 C ATOM 640 C GLN A 44 -3.881 -16.075 -6.350 1.00 0.00 C ATOM 641 O GLN A 44 -4.744 -16.901 -6.041 1.00 0.00 O ATOM 642 CB GLN A 44 -2.223 -16.288 -4.487 1.00 0.00 C ATOM 643 CG GLN A 44 -0.827 -16.444 -5.066 1.00 0.00 C ATOM 644 CD GLN A 44 0.173 -16.959 -4.049 1.00 0.00 C ATOM 645 OE1 GLN A 44 -0.184 -17.695 -3.128 1.00 0.00 O ATOM 646 NE2 GLN A 44 1.433 -16.573 -4.208 1.00 0.00 N ATOM 0 H GLN A 44 -4.369 -15.207 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.469 -14.576 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.143 -15.938 -3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.706 -17.265 -4.456 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.864 -17.129 -5.913 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.487 -15.482 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.685 -15.963 -4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.149 -16.887 -3.553 1.00 0.00 H new ATOM 655 N VAL A 45 -3.578 -15.772 -7.610 1.00 0.00 N ATOM 656 CA VAL A 45 -4.255 -16.404 -8.736 1.00 0.00 C ATOM 657 C VAL A 45 -3.469 -17.594 -9.274 1.00 0.00 C ATOM 658 O VAL A 45 -4.037 -18.647 -9.564 1.00 0.00 O ATOM 659 CB VAL A 45 -4.492 -15.402 -9.882 1.00 0.00 C ATOM 660 CG1 VAL A 45 -5.370 -16.018 -10.959 1.00 0.00 C ATOM 661 CG2 VAL A 45 -5.111 -14.119 -9.348 1.00 0.00 C ATOM 0 H VAL A 45 -2.866 -15.091 -7.876 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.215 -16.756 -8.359 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.529 -15.156 -10.330 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.526 -15.295 -11.759 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.883 -16.906 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.332 -16.296 -10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.272 -13.423 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.066 -14.346 -8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.440 -13.668 -8.617 1.00 0.00 H new ATOM 671 N ASN A 46 -2.158 -17.418 -9.408 1.00 0.00 N ATOM 672 CA ASN A 46 -1.284 -18.469 -9.913 1.00 0.00 C ATOM 673 C ASN A 46 0.125 -18.307 -9.348 1.00 0.00 C ATOM 674 O ASN A 46 0.462 -17.258 -8.796 1.00 0.00 O ATOM 675 CB ASN A 46 -1.250 -18.449 -11.446 1.00 0.00 C ATOM 676 CG ASN A 46 -1.139 -17.047 -12.014 1.00 0.00 C ATOM 677 OD1 ASN A 46 -0.091 -16.655 -12.527 1.00 0.00 O ATOM 678 ND2 ASN A 46 -2.224 -16.285 -11.933 1.00 0.00 N ATOM 0 H ASN A 46 -1.676 -16.551 -9.172 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.680 -19.432 -9.589 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.406 -19.045 -11.794 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.154 -18.921 -11.831 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.209 -15.335 -12.304 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.072 -16.650 -11.500 1.00 0.00 H new ATOM 685 N PRO A 47 0.967 -19.349 -9.465 1.00 0.00 N ATOM 686 CA PRO A 47 2.339 -19.325 -8.952 1.00 0.00 C ATOM 687 C PRO A 47 3.057 -17.993 -9.173 1.00 0.00 C ATOM 688 O PRO A 47 3.201 -17.527 -10.303 1.00 0.00 O ATOM 689 CB PRO A 47 3.011 -20.436 -9.752 1.00 0.00 C ATOM 690 CG PRO A 47 1.928 -21.433 -9.976 1.00 0.00 C ATOM 691 CD PRO A 47 0.645 -20.647 -10.094 1.00 0.00 C ATOM 0 HA PRO A 47 2.367 -19.459 -7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 47 3.409 -20.062 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.846 -20.872 -9.204 1.00 0.00 H new ATOM 0 HG2 PRO A 47 2.114 -22.012 -10.881 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.875 -22.142 -9.149 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.346 -20.524 -11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.178 -21.146 -9.583 1.00 0.00 H new ATOM 699 N TYR A 48 3.523 -17.405 -8.074 1.00 0.00 N ATOM 700 CA TYR A 48 4.255 -16.139 -8.111 1.00 0.00 C ATOM 701 C TYR A 48 3.432 -15.007 -8.729 1.00 0.00 C ATOM 702 O TYR A 48 3.990 -13.985 -9.129 1.00 0.00 O ATOM 703 CB TYR A 48 5.562 -16.307 -8.894 1.00 0.00 C ATOM 704 CG TYR A 48 6.221 -17.657 -8.708 1.00 0.00 C ATOM 705 CD1 TYR A 48 6.157 -18.325 -7.492 1.00 0.00 C ATOM 706 CD2 TYR A 48 6.910 -18.263 -9.752 1.00 0.00 C ATOM 707 CE1 TYR A 48 6.759 -19.557 -7.321 1.00 0.00 C ATOM 708 CE2 TYR A 48 7.514 -19.495 -9.590 1.00 0.00 C ATOM 709 CZ TYR A 48 7.436 -20.137 -8.373 1.00 0.00 C ATOM 710 OH TYR A 48 8.036 -21.365 -8.207 1.00 0.00 O ATOM 0 H TYR A 48 3.405 -17.789 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 48 4.471 -15.866 -7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.360 -16.155 -9.954 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.260 -15.528 -8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.628 -17.874 -6.666 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.974 -17.762 -10.707 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.700 -20.063 -6.369 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.044 -19.952 -10.412 1.00 0.00 H new ATOM 0 HH TYR A 48 8.470 -21.633 -9.044 1.00 0.00 H new ATOM 720 N VAL A 49 2.117 -15.177 -8.810 1.00 0.00 N ATOM 721 CA VAL A 49 1.260 -14.145 -9.385 1.00 0.00 C ATOM 722 C VAL A 49 -0.001 -13.941 -8.554 1.00 0.00 C ATOM 723 O VAL A 49 -0.845 -14.832 -8.464 1.00 0.00 O ATOM 724 CB VAL A 49 0.854 -14.491 -10.829 1.00 0.00 C ATOM 725 CG1 VAL A 49 0.106 -13.330 -11.469 1.00 0.00 C ATOM 726 CG2 VAL A 49 2.077 -14.865 -11.654 1.00 0.00 C ATOM 0 H VAL A 49 1.624 -16.010 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 49 1.842 -13.223 -9.386 1.00 0.00 H new ATOM 0 HB VAL A 49 0.186 -15.352 -10.801 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.172 -13.595 -12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.793 -13.114 -10.892 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.747 -12.449 -11.485 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.770 -15.106 -12.672 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.773 -14.026 -11.674 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.566 -15.731 -11.208 1.00 0.00 H new ATOM 736 N GLY A 50 -0.125 -12.763 -7.949 1.00 0.00 N ATOM 737 CA GLY A 50 -1.290 -12.468 -7.137 1.00 0.00 C ATOM 738 C GLY A 50 -1.709 -11.013 -7.227 1.00 0.00 C ATOM 739 O GLY A 50 -1.108 -10.231 -7.963 1.00 0.00 O ATOM 0 H GLY A 50 0.560 -12.009 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.119 -13.101 -7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.077 -12.717 -6.098 1.00 0.00 H new ATOM 743 N PHE A 51 -2.737 -10.648 -6.469 1.00 0.00 N ATOM 744 CA PHE A 51 -3.232 -9.276 -6.457 1.00 0.00 C ATOM 745 C PHE A 51 -3.246 -8.734 -5.032 1.00 0.00 C ATOM 746 O PHE A 51 -3.371 -9.498 -4.076 1.00 0.00 O ATOM 747 CB PHE A 51 -4.638 -9.210 -7.059 1.00 0.00 C ATOM 748 CG PHE A 51 -4.652 -8.800 -8.505 1.00 0.00 C ATOM 749 CD1 PHE A 51 -3.829 -9.429 -9.425 1.00 0.00 C ATOM 750 CD2 PHE A 51 -5.491 -7.788 -8.943 1.00 0.00 C ATOM 751 CE1 PHE A 51 -3.841 -9.055 -10.755 1.00 0.00 C ATOM 752 CE2 PHE A 51 -5.507 -7.409 -10.271 1.00 0.00 C ATOM 753 CZ PHE A 51 -4.681 -8.043 -11.179 1.00 0.00 C ATOM 0 H PHE A 51 -3.245 -11.284 -5.854 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.565 -8.661 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.113 -10.186 -6.962 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.238 -8.505 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.171 -10.221 -9.099 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.140 -7.290 -8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.195 -9.553 -11.462 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.165 -6.618 -10.599 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.692 -7.748 -12.218 1.00 0.00 H new ATOM 763 N GLU A 52 -3.109 -7.420 -4.889 1.00 0.00 N ATOM 764 CA GLU A 52 -3.100 -6.804 -3.567 1.00 0.00 C ATOM 765 C GLU A 52 -3.723 -5.411 -3.594 1.00 0.00 C ATOM 766 O GLU A 52 -3.427 -4.600 -4.471 1.00 0.00 O ATOM 767 CB GLU A 52 -1.667 -6.718 -3.037 1.00 0.00 C ATOM 768 CG GLU A 52 -1.213 -7.969 -2.304 1.00 0.00 C ATOM 769 CD GLU A 52 -1.268 -7.813 -0.797 1.00 0.00 C ATOM 770 OE1 GLU A 52 -0.364 -7.162 -0.233 1.00 0.00 O ATOM 771 OE2 GLU A 52 -2.215 -8.344 -0.180 1.00 0.00 O ATOM 0 H GLU A 52 -3.004 -6.766 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.698 -7.430 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.991 -6.530 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.588 -5.864 -2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.841 -8.809 -2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.193 -8.212 -2.604 1.00 0.00 H new ATOM 778 N MET A 53 -4.578 -5.144 -2.613 1.00 0.00 N ATOM 779 CA MET A 53 -5.244 -3.852 -2.498 1.00 0.00 C ATOM 780 C MET A 53 -5.028 -3.271 -1.105 1.00 0.00 C ATOM 781 O MET A 53 -4.846 -4.016 -0.142 1.00 0.00 O ATOM 782 CB MET A 53 -6.741 -3.996 -2.781 1.00 0.00 C ATOM 783 CG MET A 53 -7.466 -2.667 -2.915 1.00 0.00 C ATOM 784 SD MET A 53 -9.240 -2.811 -2.620 1.00 0.00 S ATOM 785 CE MET A 53 -9.621 -4.288 -3.558 1.00 0.00 C ATOM 0 H MET A 53 -4.827 -5.810 -1.882 1.00 0.00 H new ATOM 0 HA MET A 53 -4.814 -3.173 -3.234 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.875 -4.568 -3.699 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.200 -4.571 -1.977 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.041 -1.953 -2.210 1.00 0.00 H new ATOM 0 HG3 MET A 53 -7.299 -2.266 -3.915 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.537 -4.131 -4.128 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.801 -4.506 -4.242 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.758 -5.127 -2.876 1.00 0.00 H new ATOM 795 N GLY A 54 -5.040 -1.947 -0.997 1.00 0.00 N ATOM 796 CA GLY A 54 -4.835 -1.321 0.297 1.00 0.00 C ATOM 797 C GLY A 54 -5.396 0.086 0.377 1.00 0.00 C ATOM 798 O GLY A 54 -5.579 0.753 -0.642 1.00 0.00 O ATOM 0 H GLY A 54 -5.186 -1.301 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.301 -1.935 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.767 -1.292 0.514 1.00 0.00 H new ATOM 802 N TYR A 55 -5.666 0.531 1.600 1.00 0.00 N ATOM 803 CA TYR A 55 -6.208 1.863 1.833 1.00 0.00 C ATOM 804 C TYR A 55 -5.891 2.335 3.249 1.00 0.00 C ATOM 805 O TYR A 55 -5.469 1.548 4.097 1.00 0.00 O ATOM 806 CB TYR A 55 -7.720 1.869 1.608 1.00 0.00 C ATOM 807 CG TYR A 55 -8.449 0.770 2.349 1.00 0.00 C ATOM 808 CD1 TYR A 55 -8.651 0.848 3.721 1.00 0.00 C ATOM 809 CD2 TYR A 55 -8.932 -0.345 1.678 1.00 0.00 C ATOM 810 CE1 TYR A 55 -9.315 -0.154 4.403 1.00 0.00 C ATOM 811 CE2 TYR A 55 -9.598 -1.351 2.352 1.00 0.00 C ATOM 812 CZ TYR A 55 -9.786 -1.251 3.713 1.00 0.00 C ATOM 813 OH TYR A 55 -10.448 -2.250 4.389 1.00 0.00 O ATOM 0 H TYR A 55 -5.517 -0.015 2.448 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.741 2.548 1.125 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.121 2.833 1.920 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.920 1.770 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.283 1.706 4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.785 -0.428 0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.464 -0.078 5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.969 -2.211 1.815 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.716 -2.950 3.758 1.00 0.00 H new ATOM 1136 N VAL A 77 -8.508 4.858 -2.251 1.00 0.00 N ATOM 1137 CA VAL A 77 -8.130 3.450 -2.222 1.00 0.00 C ATOM 1138 C VAL A 77 -7.039 3.154 -3.245 1.00 0.00 C ATOM 1139 O VAL A 77 -6.850 3.909 -4.200 1.00 0.00 O ATOM 1140 CB VAL A 77 -9.340 2.538 -2.501 1.00 0.00 C ATOM 1141 CG1 VAL A 77 -8.975 1.080 -2.269 1.00 0.00 C ATOM 1142 CG2 VAL A 77 -10.524 2.943 -1.638 1.00 0.00 C ATOM 0 HA VAL A 77 -7.752 3.244 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.626 2.654 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.842 0.451 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.160 0.799 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.661 0.944 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.369 2.288 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.253 2.858 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.800 3.974 -1.860 1.00 0.00 H new ATOM 1152 N GLN A 78 -6.320 2.055 -3.040 1.00 0.00 N ATOM 1153 CA GLN A 78 -5.247 1.668 -3.948 1.00 0.00 C ATOM 1154 C GLN A 78 -5.396 0.214 -4.383 1.00 0.00 C ATOM 1155 O GLN A 78 -5.716 -0.660 -3.577 1.00 0.00 O ATOM 1156 CB GLN A 78 -3.886 1.874 -3.279 1.00 0.00 C ATOM 1157 CG GLN A 78 -2.762 2.157 -4.261 1.00 0.00 C ATOM 1158 CD GLN A 78 -1.412 1.691 -3.751 1.00 0.00 C ATOM 1159 OE1 GLN A 78 -0.861 0.702 -4.234 1.00 0.00 O ATOM 1160 NE2 GLN A 78 -0.872 2.403 -2.768 1.00 0.00 N ATOM 0 H GLN A 78 -6.461 1.419 -2.255 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.311 2.301 -4.833 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.959 2.702 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.636 0.984 -2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.979 1.663 -5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.721 3.228 -4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.364 3.216 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.035 2.137 -2.384 1.00 0.00 H new ATOM 1169 N LEU A 79 -5.147 -0.035 -5.665 1.00 0.00 N ATOM 1170 CA LEU A 79 -5.233 -1.378 -6.224 1.00 0.00 C ATOM 1171 C LEU A 79 -3.961 -1.698 -7.000 1.00 0.00 C ATOM 1172 O LEU A 79 -3.514 -0.897 -7.820 1.00 0.00 O ATOM 1173 CB LEU A 79 -6.453 -1.500 -7.141 1.00 0.00 C ATOM 1174 CG LEU A 79 -7.798 -1.597 -6.419 1.00 0.00 C ATOM 1175 CD1 LEU A 79 -8.888 -0.907 -7.226 1.00 0.00 C ATOM 1176 CD2 LEU A 79 -8.161 -3.052 -6.163 1.00 0.00 C ATOM 0 H LEU A 79 -4.882 0.682 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.342 -2.091 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.476 -0.637 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.330 -2.383 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.711 -1.090 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.838 -0.986 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.633 0.144 -7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.976 -1.384 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.121 -3.102 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.230 -3.582 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.393 -3.515 -5.544 1.00 0.00 H new ATOM 1188 N THR A 80 -3.369 -2.858 -6.732 1.00 0.00 N ATOM 1189 CA THR A 80 -2.137 -3.242 -7.412 1.00 0.00 C ATOM 1190 C THR A 80 -1.996 -4.757 -7.527 1.00 0.00 C ATOM 1191 O THR A 80 -2.776 -5.520 -6.956 1.00 0.00 O ATOM 1192 CB THR A 80 -0.924 -2.670 -6.669 1.00 0.00 C ATOM 1193 OG1 THR A 80 -0.558 -3.510 -5.588 1.00 0.00 O ATOM 1194 CG2 THR A 80 -1.151 -1.282 -6.109 1.00 0.00 C ATOM 0 H THR A 80 -3.717 -3.540 -6.058 1.00 0.00 H new ATOM 0 HA THR A 80 -2.182 -2.831 -8.421 1.00 0.00 H new ATOM 0 HB THR A 80 -0.134 -2.613 -7.418 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.090 -4.177 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.250 -0.944 -5.598 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.386 -0.595 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.981 -1.306 -5.403 1.00 0.00 H new ATOM 1202 N ALA A 81 -0.968 -5.168 -8.262 1.00 0.00 N ATOM 1203 CA ALA A 81 -0.668 -6.581 -8.462 1.00 0.00 C ATOM 1204 C ALA A 81 0.586 -6.960 -7.684 1.00 0.00 C ATOM 1205 O ALA A 81 1.528 -6.172 -7.599 1.00 0.00 O ATOM 1206 CB ALA A 81 -0.491 -6.883 -9.942 1.00 0.00 C ATOM 0 H ALA A 81 -0.322 -4.535 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.503 -7.175 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.268 -7.942 -10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.409 -6.637 -10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.331 -6.287 -10.339 1.00 0.00 H new ATOM 1212 N LYS A 82 0.599 -8.159 -7.109 1.00 0.00 N ATOM 1213 CA LYS A 82 1.745 -8.616 -6.332 1.00 0.00 C ATOM 1214 C LYS A 82 2.516 -9.710 -7.064 1.00 0.00 C ATOM 1215 O LYS A 82 1.946 -10.726 -7.463 1.00 0.00 O ATOM 1216 CB LYS A 82 1.284 -9.130 -4.967 1.00 0.00 C ATOM 1217 CG LYS A 82 2.295 -8.898 -3.856 1.00 0.00 C ATOM 1218 CD LYS A 82 2.081 -9.860 -2.698 1.00 0.00 C ATOM 1219 CE LYS A 82 2.963 -9.509 -1.511 1.00 0.00 C ATOM 1220 NZ LYS A 82 2.454 -8.317 -0.776 1.00 0.00 N ATOM 0 H LYS A 82 -0.168 -8.829 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 82 2.413 -7.766 -6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.347 -8.641 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.077 -10.198 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.304 -9.020 -4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.214 -7.872 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.034 -9.838 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.297 -10.877 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.014 -10.360 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.978 -9.316 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.226 -7.895 -0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.094 -7.617 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.686 -8.605 -0.137 1.00 0.00 H new ATOM 1234 N LEU A 83 3.818 -9.496 -7.227 1.00 0.00 N ATOM 1235 CA LEU A 83 4.681 -10.460 -7.901 1.00 0.00 C ATOM 1236 C LEU A 83 5.917 -10.748 -7.054 1.00 0.00 C ATOM 1237 O LEU A 83 6.754 -9.870 -6.843 1.00 0.00 O ATOM 1238 CB LEU A 83 5.099 -9.933 -9.275 1.00 0.00 C ATOM 1239 CG LEU A 83 3.943 -9.534 -10.193 1.00 0.00 C ATOM 1240 CD1 LEU A 83 4.353 -8.381 -11.097 1.00 0.00 C ATOM 1241 CD2 LEU A 83 3.485 -10.725 -11.021 1.00 0.00 C ATOM 0 H LEU A 83 4.300 -8.659 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 83 4.123 -11.387 -8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.747 -9.068 -9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.693 -10.698 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 83 3.109 -9.205 -9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.518 -8.111 -11.743 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.633 -7.522 -10.487 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.203 -8.683 -11.709 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.662 -10.423 -11.669 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.314 -11.084 -11.631 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.151 -11.523 -10.357 1.00 0.00 H new ATOM 1253 N GLY A 84 6.018 -11.977 -6.559 1.00 0.00 N ATOM 1254 CA GLY A 84 7.151 -12.343 -5.729 1.00 0.00 C ATOM 1255 C GLY A 84 7.734 -13.700 -6.067 1.00 0.00 C ATOM 1256 O GLY A 84 7.164 -14.455 -6.853 1.00 0.00 O ATOM 0 H GLY A 84 5.340 -12.722 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.928 -11.586 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.842 -12.339 -4.684 1.00 0.00 H new ATOM 1260 N TYR A 85 8.875 -14.006 -5.457 1.00 0.00 N ATOM 1261 CA TYR A 85 9.550 -15.279 -5.677 1.00 0.00 C ATOM 1262 C TYR A 85 9.876 -15.948 -4.344 1.00 0.00 C ATOM 1263 O TYR A 85 10.321 -15.289 -3.403 1.00 0.00 O ATOM 1264 CB TYR A 85 10.832 -15.068 -6.485 1.00 0.00 C ATOM 1265 CG TYR A 85 10.594 -14.496 -7.864 1.00 0.00 C ATOM 1266 CD1 TYR A 85 9.679 -15.078 -8.730 1.00 0.00 C ATOM 1267 CD2 TYR A 85 11.285 -13.371 -8.298 1.00 0.00 C ATOM 1268 CE1 TYR A 85 9.457 -14.557 -9.991 1.00 0.00 C ATOM 1269 CE2 TYR A 85 11.070 -12.843 -9.557 1.00 0.00 C ATOM 1270 CZ TYR A 85 10.155 -13.440 -10.400 1.00 0.00 C ATOM 1271 OH TYR A 85 9.938 -12.918 -11.653 1.00 0.00 O ATOM 0 H TYR A 85 9.353 -13.386 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 85 8.882 -15.930 -6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.493 -14.400 -5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.351 -16.022 -6.581 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.131 -15.953 -8.413 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.002 -12.902 -7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.741 -15.022 -10.652 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.615 -11.968 -9.879 1.00 0.00 H new ATOM 0 HH TYR A 85 10.508 -12.132 -11.783 1.00 0.00 H new ATOM 1281 N PRO A 86 9.651 -17.270 -4.236 1.00 0.00 N ATOM 1282 CA PRO A 86 9.915 -18.017 -3.008 1.00 0.00 C ATOM 1283 C PRO A 86 11.371 -18.454 -2.879 1.00 0.00 C ATOM 1284 O PRO A 86 11.803 -19.406 -3.529 1.00 0.00 O ATOM 1285 CB PRO A 86 9.007 -19.233 -3.161 1.00 0.00 C ATOM 1286 CG PRO A 86 8.967 -19.486 -4.630 1.00 0.00 C ATOM 1287 CD PRO A 86 9.110 -18.140 -5.300 1.00 0.00 C ATOM 0 HA PRO A 86 9.729 -17.420 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.401 -20.093 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.011 -19.037 -2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.772 -20.157 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.030 -19.964 -4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.783 -18.189 -6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.152 -17.773 -5.668 1.00 0.00 H new ATOM 1295 N ILE A 87 12.119 -17.762 -2.024 1.00 0.00 N ATOM 1296 CA ILE A 87 13.521 -18.093 -1.798 1.00 0.00 C ATOM 1297 C ILE A 87 13.634 -19.301 -0.876 1.00 0.00 C ATOM 1298 O ILE A 87 14.507 -20.152 -1.045 1.00 0.00 O ATOM 1299 CB ILE A 87 14.296 -16.913 -1.175 1.00 0.00 C ATOM 1300 CG1 ILE A 87 13.855 -15.585 -1.798 1.00 0.00 C ATOM 1301 CG2 ILE A 87 15.794 -17.115 -1.347 1.00 0.00 C ATOM 1302 CD1 ILE A 87 13.117 -14.683 -0.834 1.00 0.00 C ATOM 0 H ILE A 87 11.778 -16.971 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 87 13.959 -18.319 -2.770 1.00 0.00 H new ATOM 0 HB ILE A 87 14.071 -16.878 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 87 14.733 -15.060 -2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.214 -15.790 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 87 16.328 -16.275 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 87 16.096 -18.039 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 87 16.033 -17.176 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.835 -13.761 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.221 -15.189 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 87 13.763 -14.448 0.012 1.00 0.00 H new ATOM 1314 N THR A 88 12.726 -19.367 0.091 1.00 0.00 N ATOM 1315 CA THR A 88 12.688 -20.470 1.043 1.00 0.00 C ATOM 1316 C THR A 88 11.258 -20.695 1.522 1.00 0.00 C ATOM 1317 O THR A 88 10.372 -19.887 1.243 1.00 0.00 O ATOM 1318 CB THR A 88 13.621 -20.203 2.232 1.00 0.00 C ATOM 1319 OG1 THR A 88 13.174 -20.891 3.388 1.00 0.00 O ATOM 1320 CG2 THR A 88 13.746 -18.740 2.592 1.00 0.00 C ATOM 0 H THR A 88 12.001 -18.664 0.236 1.00 0.00 H new ATOM 0 HA THR A 88 13.038 -21.372 0.541 1.00 0.00 H new ATOM 0 HB THR A 88 14.598 -20.561 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.784 -20.709 4.133 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.421 -18.631 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.142 -18.188 1.740 1.00 0.00 H new ATOM 0 HG23 THR A 88 12.765 -18.345 2.856 1.00 0.00 H new ATOM 1328 N ASP A 89 11.026 -21.795 2.227 1.00 0.00 N ATOM 1329 CA ASP A 89 9.690 -22.115 2.719 1.00 0.00 C ATOM 1330 C ASP A 89 9.183 -21.070 3.711 1.00 0.00 C ATOM 1331 O ASP A 89 7.977 -20.951 3.929 1.00 0.00 O ATOM 1332 CB ASP A 89 9.689 -23.496 3.377 1.00 0.00 C ATOM 1333 CG ASP A 89 9.406 -24.608 2.385 1.00 0.00 C ATOM 1334 OD1 ASP A 89 8.216 -24.895 2.139 1.00 0.00 O ATOM 1335 OD2 ASP A 89 10.374 -25.192 1.856 1.00 0.00 O ATOM 0 H ASP A 89 11.742 -22.479 2.471 1.00 0.00 H new ATOM 0 HA ASP A 89 9.017 -22.116 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.656 -23.671 3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.939 -23.518 4.168 1.00 0.00 H new ATOM 1340 N ASP A 90 10.098 -20.330 4.332 1.00 0.00 N ATOM 1341 CA ASP A 90 9.710 -19.323 5.316 1.00 0.00 C ATOM 1342 C ASP A 90 9.986 -17.900 4.833 1.00 0.00 C ATOM 1343 O ASP A 90 9.302 -16.962 5.241 1.00 0.00 O ATOM 1344 CB ASP A 90 10.446 -19.570 6.635 1.00 0.00 C ATOM 1345 CG ASP A 90 10.274 -20.991 7.134 1.00 0.00 C ATOM 1346 OD1 ASP A 90 9.172 -21.320 7.623 1.00 0.00 O ATOM 1347 OD2 ASP A 90 11.242 -21.775 7.039 1.00 0.00 O ATOM 0 H ASP A 90 11.103 -20.407 4.174 1.00 0.00 H new ATOM 0 HA ASP A 90 8.634 -19.416 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.507 -19.361 6.501 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.077 -18.875 7.390 1.00 0.00 H new ATOM 1352 N LEU A 91 10.995 -17.733 3.984 1.00 0.00 N ATOM 1353 CA LEU A 91 11.345 -16.404 3.486 1.00 0.00 C ATOM 1354 C LEU A 91 11.000 -16.237 2.008 1.00 0.00 C ATOM 1355 O LEU A 91 11.422 -17.026 1.164 1.00 0.00 O ATOM 1356 CB LEU A 91 12.835 -16.133 3.706 1.00 0.00 C ATOM 1357 CG LEU A 91 13.169 -14.730 4.217 1.00 0.00 C ATOM 1358 CD1 LEU A 91 14.402 -14.766 5.105 1.00 0.00 C ATOM 1359 CD2 LEU A 91 13.377 -13.776 3.050 1.00 0.00 C ATOM 0 H LEU A 91 11.579 -18.490 3.629 1.00 0.00 H new ATOM 0 HA LEU A 91 10.754 -15.680 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 91 13.221 -16.864 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.361 -16.295 2.765 1.00 0.00 H new ATOM 0 HG LEU A 91 12.330 -14.369 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.625 -13.760 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 91 14.217 -15.418 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 91 15.250 -15.146 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.614 -12.782 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.200 -14.133 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 91 12.467 -13.728 2.452 1.00 0.00 H new ATOM 1371 N ASP A 92 10.227 -15.198 1.708 1.00 0.00 N ATOM 1372 CA ASP A 92 9.820 -14.920 0.334 1.00 0.00 C ATOM 1373 C ASP A 92 10.016 -13.446 -0.012 1.00 0.00 C ATOM 1374 O ASP A 92 10.007 -12.583 0.866 1.00 0.00 O ATOM 1375 CB ASP A 92 8.357 -15.313 0.125 1.00 0.00 C ATOM 1376 CG ASP A 92 8.109 -16.784 0.394 1.00 0.00 C ATOM 1377 OD1 ASP A 92 8.057 -17.170 1.581 1.00 0.00 O ATOM 1378 OD2 ASP A 92 7.968 -17.550 -0.582 1.00 0.00 O ATOM 0 H ASP A 92 9.870 -14.535 2.396 1.00 0.00 H new ATOM 0 HA ASP A 92 10.450 -15.514 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.726 -14.715 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.064 -15.079 -0.898 1.00 0.00 H new ATOM 1383 N ILE A 93 10.173 -13.168 -1.302 1.00 0.00 N ATOM 1384 CA ILE A 93 10.349 -11.801 -1.781 1.00 0.00 C ATOM 1385 C ILE A 93 9.195 -11.420 -2.700 1.00 0.00 C ATOM 1386 O ILE A 93 8.715 -12.247 -3.474 1.00 0.00 O ATOM 1387 CB ILE A 93 11.680 -11.628 -2.539 1.00 0.00 C ATOM 1388 CG1 ILE A 93 11.860 -12.747 -3.566 1.00 0.00 C ATOM 1389 CG2 ILE A 93 12.847 -11.604 -1.561 1.00 0.00 C ATOM 1390 CD1 ILE A 93 13.144 -12.639 -4.359 1.00 0.00 C ATOM 0 H ILE A 93 10.182 -13.874 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 93 10.366 -11.147 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 93 11.656 -10.677 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.840 -13.708 -3.052 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.015 -12.736 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.780 -11.481 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.723 -10.773 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 93 12.874 -12.541 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.205 -13.465 -5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.158 -11.694 -4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.996 -12.680 -3.680 1.00 0.00 H new ATOM 1402 N TYR A 94 8.731 -10.178 -2.599 1.00 0.00 N ATOM 1403 CA TYR A 94 7.611 -9.735 -3.422 1.00 0.00 C ATOM 1404 C TYR A 94 7.741 -8.278 -3.855 1.00 0.00 C ATOM 1405 O TYR A 94 8.478 -7.490 -3.261 1.00 0.00 O ATOM 1406 CB TYR A 94 6.298 -9.926 -2.661 1.00 0.00 C ATOM 1407 CG TYR A 94 5.747 -11.331 -2.743 1.00 0.00 C ATOM 1408 CD1 TYR A 94 6.331 -12.371 -2.029 1.00 0.00 C ATOM 1409 CD2 TYR A 94 4.642 -11.620 -3.535 1.00 0.00 C ATOM 1410 CE1 TYR A 94 5.830 -13.657 -2.103 1.00 0.00 C ATOM 1411 CE2 TYR A 94 4.135 -12.903 -3.614 1.00 0.00 C ATOM 1412 CZ TYR A 94 4.733 -13.917 -2.896 1.00 0.00 C ATOM 1413 OH TYR A 94 4.231 -15.196 -2.972 1.00 0.00 O ATOM 0 H TYR A 94 9.106 -9.471 -1.967 1.00 0.00 H new ATOM 0 HA TYR A 94 7.617 -10.346 -4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.454 -9.667 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.556 -9.231 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.190 -12.171 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.171 -10.828 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.296 -14.454 -1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.276 -13.110 -4.234 1.00 0.00 H new ATOM 0 HH TYR A 94 3.266 -15.159 -3.137 1.00 0.00 H new ATOM 1423 N THR A 95 6.985 -7.943 -4.895 1.00 0.00 N ATOM 1424 CA THR A 95 6.950 -6.594 -5.446 1.00 0.00 C ATOM 1425 C THR A 95 5.521 -6.257 -5.858 1.00 0.00 C ATOM 1426 O THR A 95 4.827 -7.096 -6.431 1.00 0.00 O ATOM 1427 CB THR A 95 7.888 -6.479 -6.649 1.00 0.00 C ATOM 1428 OG1 THR A 95 8.030 -7.731 -7.295 1.00 0.00 O ATOM 1429 CG2 THR A 95 9.273 -5.991 -6.283 1.00 0.00 C ATOM 0 H THR A 95 6.377 -8.602 -5.381 1.00 0.00 H new ATOM 0 HA THR A 95 7.286 -5.889 -4.686 1.00 0.00 H new ATOM 0 HB THR A 95 7.424 -5.745 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.188 -8.229 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.887 -5.932 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.202 -5.004 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.729 -6.685 -5.577 1.00 0.00 H new ATOM 1437 N ARG A 96 5.071 -5.041 -5.567 1.00 0.00 N ATOM 1438 CA ARG A 96 3.715 -4.636 -5.919 1.00 0.00 C ATOM 1439 C ARG A 96 3.723 -3.474 -6.906 1.00 0.00 C ATOM 1440 O ARG A 96 4.488 -2.522 -6.755 1.00 0.00 O ATOM 1441 CB ARG A 96 2.937 -4.241 -4.662 1.00 0.00 C ATOM 1442 CG ARG A 96 2.477 -5.430 -3.834 1.00 0.00 C ATOM 1443 CD ARG A 96 1.653 -4.987 -2.635 1.00 0.00 C ATOM 1444 NE ARG A 96 0.364 -4.426 -3.033 1.00 0.00 N ATOM 1445 CZ ARG A 96 -0.386 -3.659 -2.245 1.00 0.00 C ATOM 1446 NH1 ARG A 96 0.020 -3.359 -1.017 1.00 0.00 N ATOM 1447 NH2 ARG A 96 -1.546 -3.191 -2.685 1.00 0.00 N ATOM 0 H ARG A 96 5.620 -4.324 -5.092 1.00 0.00 H new ATOM 0 HA ARG A 96 3.226 -5.486 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.564 -3.599 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.067 -3.653 -4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.885 -6.101 -4.456 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.345 -5.995 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.489 -5.838 -1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.212 -4.244 -2.066 1.00 0.00 H new ATOM 0 HE ARG A 96 0.019 -4.634 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.911 -3.717 -0.673 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.559 -2.771 -0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.863 -3.419 -3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.121 -2.603 -2.081 1.00 0.00 H new ATOM 1461 N LEU A 97 2.867 -3.564 -7.919 1.00 0.00 N ATOM 1462 CA LEU A 97 2.768 -2.526 -8.938 1.00 0.00 C ATOM 1463 C LEU A 97 1.314 -2.287 -9.331 1.00 0.00 C ATOM 1464 O LEU A 97 0.633 -3.193 -9.813 1.00 0.00 O ATOM 1465 CB LEU A 97 3.586 -2.913 -10.171 1.00 0.00 C ATOM 1466 CG LEU A 97 4.135 -1.736 -10.979 1.00 0.00 C ATOM 1467 CD1 LEU A 97 5.108 -2.226 -12.041 1.00 0.00 C ATOM 1468 CD2 LEU A 97 2.998 -0.951 -11.616 1.00 0.00 C ATOM 0 H LEU A 97 2.230 -4.349 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 97 3.169 -1.602 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.421 -3.537 -9.853 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.963 -3.524 -10.825 1.00 0.00 H new ATOM 0 HG LEU A 97 4.673 -1.073 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.489 -1.375 -12.606 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.939 -2.744 -11.562 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.595 -2.910 -12.717 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.407 -0.117 -12.187 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.433 -1.604 -12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.339 -0.569 -10.837 1.00 0.00 H new ATOM 1480 N GLY A 98 0.844 -1.063 -9.119 1.00 0.00 N ATOM 1481 CA GLY A 98 -0.527 -0.724 -9.455 1.00 0.00 C ATOM 1482 C GLY A 98 -0.766 0.773 -9.460 1.00 0.00 C ATOM 1483 O GLY A 98 0.103 1.549 -9.858 1.00 0.00 O ATOM 0 H GLY A 98 1.388 -0.298 -8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.769 -1.131 -10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.201 -1.195 -8.739 1.00 0.00 H new ATOM 1487 N GLY A 99 -1.956 1.174 -9.021 1.00 0.00 N ATOM 1488 CA GLY A 99 -2.294 2.584 -8.989 1.00 0.00 C ATOM 1489 C GLY A 99 -3.265 2.943 -7.881 1.00 0.00 C ATOM 1490 O GLY A 99 -4.063 2.112 -7.444 1.00 0.00 O ATOM 0 H GLY A 99 -2.690 0.549 -8.688 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.381 3.167 -8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.727 2.869 -9.948 1.00 0.00 H new ATOM 1494 N MET A 100 -3.188 4.189 -7.428 1.00 0.00 N ATOM 1495 CA MET A 100 -4.057 4.678 -6.364 1.00 0.00 C ATOM 1496 C MET A 100 -5.186 5.533 -6.931 1.00 0.00 C ATOM 1497 O MET A 100 -4.942 6.485 -7.672 1.00 0.00 O ATOM 1498 CB MET A 100 -3.249 5.487 -5.348 1.00 0.00 C ATOM 1499 CG MET A 100 -3.922 5.604 -3.989 1.00 0.00 C ATOM 1500 SD MET A 100 -3.686 7.223 -3.234 1.00 0.00 S ATOM 1501 CE MET A 100 -1.899 7.298 -3.142 1.00 0.00 C ATOM 0 H MET A 100 -2.529 4.882 -7.783 1.00 0.00 H new ATOM 0 HA MET A 100 -4.497 3.815 -5.864 1.00 0.00 H new ATOM 0 HB2 MET A 100 -2.271 5.022 -5.221 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.077 6.487 -5.746 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.989 5.411 -4.099 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.526 4.836 -3.324 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.601 8.156 -2.540 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.520 6.384 -2.684 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.487 7.399 -4.146 1.00 0.00 H new ATOM 1842 N PHE A 123 4.870 1.652 -7.353 1.00 0.00 N ATOM 1843 CA PHE A 123 5.689 0.449 -7.270 1.00 0.00 C ATOM 1844 C PHE A 123 6.033 0.124 -5.820 1.00 0.00 C ATOM 1845 O PHE A 123 6.041 1.006 -4.962 1.00 0.00 O ATOM 1846 CB PHE A 123 6.973 0.623 -8.084 1.00 0.00 C ATOM 1847 CG PHE A 123 7.833 -0.607 -8.120 1.00 0.00 C ATOM 1848 CD1 PHE A 123 7.504 -1.674 -8.941 1.00 0.00 C ATOM 1849 CD2 PHE A 123 8.970 -0.697 -7.333 1.00 0.00 C ATOM 1850 CE1 PHE A 123 8.294 -2.808 -8.977 1.00 0.00 C ATOM 1851 CE2 PHE A 123 9.763 -1.828 -7.364 1.00 0.00 C ATOM 1852 CZ PHE A 123 9.425 -2.885 -8.187 1.00 0.00 C ATOM 0 HA PHE A 123 5.115 -0.380 -7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.711 0.903 -9.104 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.550 1.447 -7.665 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.620 -1.619 -9.560 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.239 0.126 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.028 -3.632 -9.622 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.646 -1.886 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 123 10.044 -3.770 -8.213 1.00 0.00 H new ATOM 1862 N ALA A 124 6.317 -1.147 -5.554 1.00 0.00 N ATOM 1863 CA ALA A 124 6.662 -1.586 -4.208 1.00 0.00 C ATOM 1864 C ALA A 124 7.596 -2.790 -4.244 1.00 0.00 C ATOM 1865 O ALA A 124 7.509 -3.630 -5.140 1.00 0.00 O ATOM 1866 CB ALA A 124 5.400 -1.917 -3.423 1.00 0.00 C ATOM 0 H ALA A 124 6.315 -1.890 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 124 7.185 -0.770 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 124 5.671 -2.244 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 124 4.769 -1.031 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 124 4.855 -2.714 -3.929 1.00 0.00 H new ATOM 1872 N GLY A 125 8.488 -2.870 -3.262 1.00 0.00 N ATOM 1873 CA GLY A 125 9.425 -3.975 -3.192 1.00 0.00 C ATOM 1874 C GLY A 125 9.757 -4.356 -1.763 1.00 0.00 C ATOM 1875 O GLY A 125 9.929 -3.483 -0.911 1.00 0.00 O ATOM 0 H GLY A 125 8.578 -2.186 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.005 -4.838 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.342 -3.705 -3.716 1.00 0.00 H new ATOM 1879 N GLY A 126 9.849 -5.653 -1.491 1.00 0.00 N ATOM 1880 CA GLY A 126 10.165 -6.094 -0.145 1.00 0.00 C ATOM 1881 C GLY A 126 10.201 -7.602 -0.003 1.00 0.00 C ATOM 1882 O GLY A 126 10.383 -8.326 -0.982 1.00 0.00 O ATOM 0 H GLY A 126 9.712 -6.401 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.132 -5.685 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.426 -5.688 0.546 1.00 0.00 H new ATOM 1886 N VAL A 127 10.030 -8.071 1.230 1.00 0.00 N ATOM 1887 CA VAL A 127 10.047 -9.501 1.512 1.00 0.00 C ATOM 1888 C VAL A 127 8.955 -9.881 2.505 1.00 0.00 C ATOM 1889 O VAL A 127 8.616 -9.109 3.403 1.00 0.00 O ATOM 1890 CB VAL A 127 11.411 -9.947 2.074 1.00 0.00 C ATOM 1891 CG1 VAL A 127 12.501 -9.775 1.028 1.00 0.00 C ATOM 1892 CG2 VAL A 127 11.747 -9.172 3.338 1.00 0.00 C ATOM 0 H VAL A 127 9.878 -7.481 2.048 1.00 0.00 H new ATOM 0 HA VAL A 127 9.866 -10.010 0.565 1.00 0.00 H new ATOM 0 HB VAL A 127 11.350 -11.005 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 127 13.457 -10.095 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 127 12.264 -10.380 0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 127 12.564 -8.726 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 127 12.713 -9.501 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 127 11.790 -8.107 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 127 10.979 -9.352 4.090 1.00 0.00 H new ATOM 1902 N GLU A 128 8.411 -11.082 2.334 1.00 0.00 N ATOM 1903 CA GLU A 128 7.357 -11.580 3.209 1.00 0.00 C ATOM 1904 C GLU A 128 7.735 -12.939 3.791 1.00 0.00 C ATOM 1905 O GLU A 128 8.165 -13.839 3.068 1.00 0.00 O ATOM 1906 CB GLU A 128 6.039 -11.689 2.444 1.00 0.00 C ATOM 1907 CG GLU A 128 6.181 -12.332 1.074 1.00 0.00 C ATOM 1908 CD GLU A 128 5.078 -13.330 0.780 1.00 0.00 C ATOM 1909 OE1 GLU A 128 5.178 -14.481 1.251 1.00 0.00 O ATOM 1910 OE2 GLU A 128 4.114 -12.959 0.078 1.00 0.00 O ATOM 0 H GLU A 128 8.684 -11.730 1.595 1.00 0.00 H new ATOM 0 HA GLU A 128 7.234 -10.873 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.332 -12.269 3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 128 5.614 -10.692 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.176 -11.555 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.146 -12.834 1.011 1.00 0.00 H new ATOM 1917 N TYR A 129 7.576 -13.076 5.104 1.00 0.00 N ATOM 1918 CA TYR A 129 7.904 -14.322 5.786 1.00 0.00 C ATOM 1919 C TYR A 129 6.733 -14.812 6.632 1.00 0.00 C ATOM 1920 O TYR A 129 5.947 -14.015 7.148 1.00 0.00 O ATOM 1921 CB TYR A 129 9.141 -14.134 6.668 1.00 0.00 C ATOM 1922 CG TYR A 129 9.074 -12.911 7.555 1.00 0.00 C ATOM 1923 CD1 TYR A 129 9.182 -11.634 7.020 1.00 0.00 C ATOM 1924 CD2 TYR A 129 8.903 -13.034 8.928 1.00 0.00 C ATOM 1925 CE1 TYR A 129 9.123 -10.514 7.826 1.00 0.00 C ATOM 1926 CE2 TYR A 129 8.842 -11.919 9.743 1.00 0.00 C ATOM 1927 CZ TYR A 129 8.952 -10.662 9.187 1.00 0.00 C ATOM 1928 OH TYR A 129 8.893 -9.549 9.994 1.00 0.00 O ATOM 0 H TYR A 129 7.222 -12.340 5.716 1.00 0.00 H new ATOM 0 HA TYR A 129 8.116 -15.074 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.269 -15.018 7.292 1.00 0.00 H new ATOM 0 HB3 TYR A 129 10.023 -14.063 6.031 1.00 0.00 H new ATOM 0 HD1 TYR A 129 9.314 -11.515 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 129 8.816 -14.017 9.366 1.00 0.00 H new ATOM 0 HE1 TYR A 129 9.210 -9.528 7.393 1.00 0.00 H new ATOM 0 HE2 TYR A 129 8.709 -12.032 10.809 1.00 0.00 H new ATOM 0 HH TYR A 129 8.769 -9.827 10.926 1.00 0.00 H new ATOM 1938 N ALA A 130 6.627 -16.129 6.773 1.00 0.00 N ATOM 1939 CA ALA A 130 5.557 -16.733 7.558 1.00 0.00 C ATOM 1940 C ALA A 130 6.052 -17.116 8.948 1.00 0.00 C ATOM 1941 O ALA A 130 6.926 -17.970 9.092 1.00 0.00 O ATOM 1942 CB ALA A 130 4.997 -17.950 6.840 1.00 0.00 C ATOM 0 H ALA A 130 7.271 -16.800 6.353 1.00 0.00 H new ATOM 0 HA ALA A 130 4.761 -15.997 7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.199 -18.390 7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.600 -17.650 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.790 -18.684 6.696 1.00 0.00 H new ATOM 1948 N ILE A 131 5.484 -16.486 9.971 1.00 0.00 N ATOM 1949 CA ILE A 131 5.865 -16.771 11.349 1.00 0.00 C ATOM 1950 C ILE A 131 5.023 -17.907 11.918 1.00 0.00 C ATOM 1951 O ILE A 131 5.503 -18.716 12.711 1.00 0.00 O ATOM 1952 CB ILE A 131 5.708 -15.529 12.246 1.00 0.00 C ATOM 1953 CG1 ILE A 131 6.395 -14.321 11.607 1.00 0.00 C ATOM 1954 CG2 ILE A 131 6.279 -15.799 13.631 1.00 0.00 C ATOM 1955 CD1 ILE A 131 6.191 -13.034 12.375 1.00 0.00 C ATOM 0 H ILE A 131 4.759 -15.775 9.872 1.00 0.00 H new ATOM 0 HA ILE A 131 6.914 -17.065 11.337 1.00 0.00 H new ATOM 0 HB ILE A 131 4.646 -15.306 12.350 1.00 0.00 H new ATOM 0 HG12 ILE A 131 7.463 -14.521 11.527 1.00 0.00 H new ATOM 0 HG13 ILE A 131 6.017 -14.193 10.593 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.160 -14.912 14.253 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.748 -16.635 14.087 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.338 -16.044 13.547 1.00 0.00 H new ATOM 0 HD11 ILE A 131 6.706 -12.220 11.864 1.00 0.00 H new ATOM 0 HD12 ILE A 131 5.126 -12.810 12.433 1.00 0.00 H new ATOM 0 HD13 ILE A 131 6.594 -13.143 13.382 1.00 0.00 H new ATOM 1967 N THR A 132 3.762 -17.961 11.502 1.00 0.00 N ATOM 1968 CA THR A 132 2.844 -18.996 11.961 1.00 0.00 C ATOM 1969 C THR A 132 1.820 -19.329 10.876 1.00 0.00 C ATOM 1970 O THR A 132 1.786 -18.684 9.828 1.00 0.00 O ATOM 1971 CB THR A 132 2.135 -18.552 13.245 1.00 0.00 C ATOM 1972 OG1 THR A 132 2.603 -17.281 13.664 1.00 0.00 O ATOM 1973 CG2 THR A 132 2.330 -19.511 14.398 1.00 0.00 C ATOM 0 H THR A 132 3.352 -17.297 10.845 1.00 0.00 H new ATOM 0 HA THR A 132 3.422 -19.895 12.176 1.00 0.00 H new ATOM 0 HB THR A 132 1.075 -18.521 12.992 1.00 0.00 H new ATOM 0 HG1 THR A 132 2.137 -17.015 14.484 1.00 0.00 H new ATOM 0 HG21 THR A 132 1.802 -19.137 15.275 1.00 0.00 H new ATOM 0 HG22 THR A 132 1.936 -20.490 14.127 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.393 -19.598 14.623 1.00 0.00 H new ATOM 1981 N PRO A 133 0.974 -20.346 11.110 1.00 0.00 N ATOM 1982 CA PRO A 133 -0.047 -20.766 10.142 1.00 0.00 C ATOM 1983 C PRO A 133 -0.946 -19.617 9.697 1.00 0.00 C ATOM 1984 O PRO A 133 -0.996 -19.278 8.515 1.00 0.00 O ATOM 1985 CB PRO A 133 -0.858 -21.812 10.910 1.00 0.00 C ATOM 1986 CG PRO A 133 0.077 -22.335 11.943 1.00 0.00 C ATOM 1987 CD PRO A 133 0.950 -21.174 12.330 1.00 0.00 C ATOM 0 HA PRO A 133 0.401 -21.142 9.223 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.744 -21.369 11.366 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.203 -22.608 10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -0.468 -22.719 12.805 1.00 0.00 H new ATOM 0 HG3 PRO A 133 0.673 -23.159 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 133 0.539 -20.627 13.179 1.00 0.00 H new ATOM 0 HD3 PRO A 133 1.950 -21.500 12.615 1.00 0.00 H new ATOM 1995 N GLU A 134 -1.666 -19.029 10.648 1.00 0.00 N ATOM 1996 CA GLU A 134 -2.575 -17.928 10.346 1.00 0.00 C ATOM 1997 C GLU A 134 -1.965 -16.578 10.712 1.00 0.00 C ATOM 1998 O GLU A 134 -2.683 -15.641 11.061 1.00 0.00 O ATOM 1999 CB GLU A 134 -3.899 -18.117 11.088 1.00 0.00 C ATOM 2000 CG GLU A 134 -4.909 -18.957 10.324 1.00 0.00 C ATOM 2001 CD GLU A 134 -5.675 -19.908 11.223 1.00 0.00 C ATOM 2002 OE1 GLU A 134 -5.123 -20.976 11.564 1.00 0.00 O ATOM 2003 OE2 GLU A 134 -6.825 -19.586 11.587 1.00 0.00 O ATOM 0 H GLU A 134 -1.638 -19.296 11.632 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.756 -17.936 9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.702 -18.587 12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.334 -17.139 11.294 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -5.612 -18.298 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.392 -19.529 9.553 1.00 0.00 H new ATOM 2010 N ILE A 135 -0.641 -16.480 10.634 1.00 0.00 N ATOM 2011 CA ILE A 135 0.046 -15.237 10.964 1.00 0.00 C ATOM 2012 C ILE A 135 1.291 -15.038 10.105 1.00 0.00 C ATOM 2013 O ILE A 135 2.254 -15.800 10.197 1.00 0.00 O ATOM 2014 CB ILE A 135 0.452 -15.197 12.452 1.00 0.00 C ATOM 2015 CG1 ILE A 135 -0.759 -15.476 13.345 1.00 0.00 C ATOM 2016 CG2 ILE A 135 1.072 -13.852 12.800 1.00 0.00 C ATOM 2017 CD1 ILE A 135 -1.044 -16.949 13.540 1.00 0.00 C ATOM 0 H ILE A 135 -0.026 -17.242 10.347 1.00 0.00 H new ATOM 0 HA ILE A 135 -0.659 -14.430 10.761 1.00 0.00 H new ATOM 0 HB ILE A 135 1.196 -15.974 12.627 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.595 -15.015 14.319 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.638 -14.999 12.910 1.00 0.00 H new ATOM 0 HG21 ILE A 135 1.352 -13.842 13.853 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.959 -13.691 12.187 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.350 -13.058 12.609 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.916 -17.069 14.184 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.240 -17.413 12.573 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -0.182 -17.428 14.004 1.00 0.00 H new ATOM 2029 N ALA A 136 1.261 -14.003 9.272 1.00 0.00 N ATOM 2030 CA ALA A 136 2.382 -13.688 8.395 1.00 0.00 C ATOM 2031 C ALA A 136 2.815 -12.235 8.562 1.00 0.00 C ATOM 2032 O ALA A 136 2.028 -11.391 8.990 1.00 0.00 O ATOM 2033 CB ALA A 136 2.013 -13.968 6.946 1.00 0.00 C ATOM 0 H ALA A 136 0.469 -13.366 9.186 1.00 0.00 H new ATOM 0 HA ALA A 136 3.221 -14.325 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 136 2.859 -13.728 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.758 -15.022 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.157 -13.355 6.663 1.00 0.00 H new ATOM 2039 N THR A 137 4.067 -11.948 8.222 1.00 0.00 N ATOM 2040 CA THR A 137 4.594 -10.592 8.335 1.00 0.00 C ATOM 2041 C THR A 137 5.514 -10.278 7.161 1.00 0.00 C ATOM 2042 O THR A 137 6.298 -11.127 6.736 1.00 0.00 O ATOM 2043 CB THR A 137 5.352 -10.423 9.653 1.00 0.00 C ATOM 2044 OG1 THR A 137 6.127 -11.574 9.937 1.00 0.00 O ATOM 2045 CG2 THR A 137 4.444 -10.177 10.838 1.00 0.00 C ATOM 0 H THR A 137 4.734 -12.633 7.867 1.00 0.00 H new ATOM 0 HA THR A 137 3.756 -9.896 8.319 1.00 0.00 H new ATOM 0 HB THR A 137 5.984 -9.546 9.512 1.00 0.00 H new ATOM 0 HG1 THR A 137 7.079 -11.347 9.891 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.045 -10.066 11.740 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.868 -9.267 10.672 1.00 0.00 H new ATOM 0 HG23 THR A 137 3.764 -11.021 10.957 1.00 0.00 H new ATOM 2053 N ARG A 138 5.413 -9.065 6.627 1.00 0.00 N ATOM 2054 CA ARG A 138 6.240 -8.677 5.493 1.00 0.00 C ATOM 2055 C ARG A 138 6.558 -7.187 5.504 1.00 0.00 C ATOM 2056 O ARG A 138 5.757 -6.368 5.953 1.00 0.00 O ATOM 2057 CB ARG A 138 5.542 -9.047 4.182 1.00 0.00 C ATOM 2058 CG ARG A 138 4.251 -8.280 3.941 1.00 0.00 C ATOM 2059 CD ARG A 138 3.977 -8.105 2.457 1.00 0.00 C ATOM 2060 NE ARG A 138 3.599 -9.363 1.817 1.00 0.00 N ATOM 2061 CZ ARG A 138 2.433 -9.973 2.014 1.00 0.00 C ATOM 2062 NH1 ARG A 138 1.527 -9.444 2.828 1.00 0.00 N ATOM 2063 NH2 ARG A 138 2.170 -11.115 1.394 1.00 0.00 N ATOM 0 H ARG A 138 4.774 -8.342 6.957 1.00 0.00 H new ATOM 0 HA ARG A 138 7.182 -9.220 5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 138 6.224 -8.863 3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 138 5.325 -10.115 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.419 -8.810 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.313 -7.302 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 138 3.180 -7.375 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.865 -7.703 1.969 1.00 0.00 H new ATOM 0 HE ARG A 138 4.268 -9.799 1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 138 1.723 -8.565 3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 138 0.635 -9.917 2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 138 2.861 -11.526 0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 138 1.276 -11.583 1.545 1.00 0.00 H new ATOM 2077 N LEU A 139 7.735 -6.847 4.988 1.00 0.00 N ATOM 2078 CA LEU A 139 8.176 -5.461 4.911 1.00 0.00 C ATOM 2079 C LEU A 139 8.365 -5.061 3.453 1.00 0.00 C ATOM 2080 O LEU A 139 8.844 -5.858 2.646 1.00 0.00 O ATOM 2081 CB LEU A 139 9.483 -5.267 5.682 1.00 0.00 C ATOM 2082 CG LEU A 139 9.644 -6.145 6.925 1.00 0.00 C ATOM 2083 CD1 LEU A 139 10.379 -7.431 6.579 1.00 0.00 C ATOM 2084 CD2 LEU A 139 10.378 -5.389 8.022 1.00 0.00 C ATOM 0 H LEU A 139 8.405 -7.520 4.614 1.00 0.00 H new ATOM 0 HA LEU A 139 7.413 -4.826 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 139 10.316 -5.464 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 139 9.557 -4.222 5.983 1.00 0.00 H new ATOM 0 HG LEU A 139 8.651 -6.405 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 139 10.484 -8.042 7.475 1.00 0.00 H new ATOM 0 HD12 LEU A 139 9.814 -7.982 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 139 11.367 -7.191 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 139 10.483 -6.029 8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 139 11.366 -5.098 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 139 9.812 -4.497 8.291 1.00 0.00 H new ATOM 2096 N GLU A 140 7.981 -3.837 3.111 1.00 0.00 N ATOM 2097 CA GLU A 140 8.110 -3.365 1.738 1.00 0.00 C ATOM 2098 C GLU A 140 8.461 -1.885 1.686 1.00 0.00 C ATOM 2099 O GLU A 140 8.118 -1.119 2.587 1.00 0.00 O ATOM 2100 CB GLU A 140 6.813 -3.619 0.969 1.00 0.00 C ATOM 2101 CG GLU A 140 6.563 -5.086 0.662 1.00 0.00 C ATOM 2102 CD GLU A 140 5.097 -5.390 0.419 1.00 0.00 C ATOM 2103 OE1 GLU A 140 4.327 -5.425 1.401 1.00 0.00 O ATOM 2104 OE2 GLU A 140 4.721 -5.593 -0.755 1.00 0.00 O ATOM 0 H GLU A 140 7.581 -3.158 3.759 1.00 0.00 H new ATOM 0 HA GLU A 140 8.923 -3.921 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.975 -3.230 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 140 6.840 -3.060 0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 140 7.140 -5.373 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.923 -5.694 1.492 1.00 0.00 H new ATOM 2111 N TYR A 141 9.149 -1.493 0.619 1.00 0.00 N ATOM 2112 CA TYR A 141 9.553 -0.107 0.435 1.00 0.00 C ATOM 2113 C TYR A 141 9.063 0.431 -0.904 1.00 0.00 C ATOM 2114 O TYR A 141 8.717 -0.335 -1.803 1.00 0.00 O ATOM 2115 CB TYR A 141 11.076 0.018 0.524 1.00 0.00 C ATOM 2116 CG TYR A 141 11.815 -0.912 -0.412 1.00 0.00 C ATOM 2117 CD1 TYR A 141 11.780 -0.717 -1.787 1.00 0.00 C ATOM 2118 CD2 TYR A 141 12.547 -1.985 0.080 1.00 0.00 C ATOM 2119 CE1 TYR A 141 12.454 -1.565 -2.645 1.00 0.00 C ATOM 2120 CE2 TYR A 141 13.225 -2.837 -0.771 1.00 0.00 C ATOM 2121 CZ TYR A 141 13.175 -2.624 -2.132 1.00 0.00 C ATOM 2122 OH TYR A 141 13.848 -3.470 -2.984 1.00 0.00 O ATOM 0 H TYR A 141 9.438 -2.119 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 141 9.100 0.486 1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 141 11.362 1.046 0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 141 11.390 -0.186 1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 141 11.217 0.111 -2.192 1.00 0.00 H new ATOM 0 HD2 TYR A 141 12.587 -2.156 1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 141 12.417 -1.400 -3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 141 13.791 -3.666 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 141 14.306 -4.162 -2.463 1.00 0.00 H new ATOM 2419 N LEU A 162 9.649 3.300 3.568 1.00 0.00 N ATOM 2420 CA LEU A 162 9.880 2.084 4.346 1.00 0.00 C ATOM 2421 C LEU A 162 8.609 1.693 5.092 1.00 0.00 C ATOM 2422 O LEU A 162 8.109 2.456 5.919 1.00 0.00 O ATOM 2423 CB LEU A 162 11.029 2.292 5.335 1.00 0.00 C ATOM 2424 CG LEU A 162 11.895 1.058 5.590 1.00 0.00 C ATOM 2425 CD1 LEU A 162 12.686 0.695 4.342 1.00 0.00 C ATOM 2426 CD2 LEU A 162 12.830 1.298 6.765 1.00 0.00 C ATOM 0 HA LEU A 162 10.152 1.279 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 162 11.667 3.094 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 162 10.614 2.628 6.285 1.00 0.00 H new ATOM 0 HG LEU A 162 11.241 0.222 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 162 13.297 -0.185 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 162 11.998 0.481 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 162 13.331 1.529 4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 162 13.439 0.410 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 162 13.478 2.147 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 162 12.244 1.510 7.659 1.00 0.00 H new ATOM 2438 N SER A 163 8.076 0.508 4.790 1.00 0.00 N ATOM 2439 CA SER A 163 6.850 0.045 5.432 1.00 0.00 C ATOM 2440 C SER A 163 6.989 -1.375 5.975 1.00 0.00 C ATOM 2441 O SER A 163 7.787 -2.172 5.482 1.00 0.00 O ATOM 2442 CB SER A 163 5.684 0.106 4.444 1.00 0.00 C ATOM 2443 OG SER A 163 4.444 -0.071 5.106 1.00 0.00 O ATOM 0 H SER A 163 8.472 -0.142 4.111 1.00 0.00 H new ATOM 0 HA SER A 163 6.655 0.707 6.276 1.00 0.00 H new ATOM 0 HB2 SER A 163 5.690 1.066 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 163 5.807 -0.665 3.684 1.00 0.00 H new ATOM 0 HG SER A 163 3.715 -0.026 4.453 1.00 0.00 H new ATOM 2449 N LEU A 164 6.184 -1.675 6.990 1.00 0.00 N ATOM 2450 CA LEU A 164 6.172 -2.992 7.618 1.00 0.00 C ATOM 2451 C LEU A 164 4.753 -3.342 8.056 1.00 0.00 C ATOM 2452 O LEU A 164 4.120 -2.587 8.796 1.00 0.00 O ATOM 2453 CB LEU A 164 7.116 -3.018 8.823 1.00 0.00 C ATOM 2454 CG LEU A 164 7.539 -4.413 9.285 1.00 0.00 C ATOM 2455 CD1 LEU A 164 8.612 -4.318 10.358 1.00 0.00 C ATOM 2456 CD2 LEU A 164 6.337 -5.191 9.798 1.00 0.00 C ATOM 0 H LEU A 164 5.524 -1.014 7.399 1.00 0.00 H new ATOM 0 HA LEU A 164 6.515 -3.730 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 164 8.011 -2.447 8.576 1.00 0.00 H new ATOM 0 HB3 LEU A 164 6.632 -2.508 9.656 1.00 0.00 H new ATOM 0 HG LEU A 164 7.955 -4.947 8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.900 -5.321 10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 164 9.483 -3.800 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.223 -3.766 11.213 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.656 -6.181 10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.892 -4.660 10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.601 -5.290 9.001 1.00 0.00 H new ATOM 2468 N GLY A 165 4.248 -4.479 7.584 1.00 0.00 N ATOM 2469 CA GLY A 165 2.899 -4.878 7.937 1.00 0.00 C ATOM 2470 C GLY A 165 2.732 -6.376 8.096 1.00 0.00 C ATOM 2471 O GLY A 165 3.564 -7.159 7.638 1.00 0.00 O ATOM 0 H GLY A 165 4.744 -5.125 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 165 2.616 -4.388 8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 165 2.211 -4.524 7.169 1.00 0.00 H new ATOM 2475 N VAL A 166 1.637 -6.768 8.741 1.00 0.00 N ATOM 2476 CA VAL A 166 1.339 -8.178 8.956 1.00 0.00 C ATOM 2477 C VAL A 166 0.224 -8.630 8.021 1.00 0.00 C ATOM 2478 O VAL A 166 -0.668 -7.848 7.688 1.00 0.00 O ATOM 2479 CB VAL A 166 0.921 -8.453 10.413 1.00 0.00 C ATOM 2480 CG1 VAL A 166 2.077 -8.175 11.363 1.00 0.00 C ATOM 2481 CG2 VAL A 166 -0.297 -7.619 10.785 1.00 0.00 C ATOM 0 H VAL A 166 0.942 -6.127 9.124 1.00 0.00 H new ATOM 0 HA VAL A 166 2.249 -8.739 8.746 1.00 0.00 H new ATOM 0 HB VAL A 166 0.654 -9.506 10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 166 1.762 -8.375 12.387 1.00 0.00 H new ATOM 0 HG12 VAL A 166 2.919 -8.819 11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 166 2.379 -7.131 11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -0.578 -7.826 11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -0.059 -6.561 10.679 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -1.127 -7.872 10.125 1.00 0.00 H new ATOM 2491 N SER A 167 0.277 -9.887 7.589 1.00 0.00 N ATOM 2492 CA SER A 167 -0.734 -10.414 6.681 1.00 0.00 C ATOM 2493 C SER A 167 -1.213 -11.798 7.109 1.00 0.00 C ATOM 2494 O SER A 167 -0.453 -12.593 7.665 1.00 0.00 O ATOM 2495 CB SER A 167 -0.181 -10.477 5.256 1.00 0.00 C ATOM 2496 OG SER A 167 -0.379 -9.248 4.577 1.00 0.00 O ATOM 0 H SER A 167 1.003 -10.554 7.851 1.00 0.00 H new ATOM 0 HA SER A 167 -1.588 -9.738 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 167 0.883 -10.712 5.286 1.00 0.00 H new ATOM 0 HB3 SER A 167 -0.671 -11.282 4.708 1.00 0.00 H new ATOM 0 HG SER A 167 0.207 -8.563 4.962 1.00 0.00 H new ATOM 2502 N TYR A 168 -2.486 -12.072 6.841 1.00 0.00 N ATOM 2503 CA TYR A 168 -3.088 -13.354 7.190 1.00 0.00 C ATOM 2504 C TYR A 168 -3.483 -14.125 5.934 1.00 0.00 C ATOM 2505 O TYR A 168 -4.113 -13.579 5.028 1.00 0.00 O ATOM 2506 CB TYR A 168 -4.314 -13.142 8.079 1.00 0.00 C ATOM 2507 CG TYR A 168 -3.994 -12.498 9.409 1.00 0.00 C ATOM 2508 CD1 TYR A 168 -3.598 -11.168 9.481 1.00 0.00 C ATOM 2509 CD2 TYR A 168 -4.089 -13.220 10.592 1.00 0.00 C ATOM 2510 CE1 TYR A 168 -3.304 -10.576 10.695 1.00 0.00 C ATOM 2511 CE2 TYR A 168 -3.798 -12.635 11.809 1.00 0.00 C ATOM 2512 CZ TYR A 168 -3.406 -11.313 11.856 1.00 0.00 C ATOM 2513 OH TYR A 168 -3.115 -10.728 13.066 1.00 0.00 O ATOM 0 H TYR A 168 -3.122 -11.421 6.382 1.00 0.00 H new ATOM 0 HA TYR A 168 -2.349 -13.938 7.739 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -5.034 -12.520 7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -4.794 -14.104 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -3.519 -10.587 8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -4.395 -14.255 10.560 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -2.996 -9.542 10.734 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -3.877 -13.210 12.720 1.00 0.00 H new ATOM 0 HH TYR A 168 -3.238 -11.383 13.784 1.00 0.00 H new ATOM 2523 N ARG A 169 -3.104 -15.399 5.890 1.00 0.00 N ATOM 2524 CA ARG A 169 -3.412 -16.252 4.748 1.00 0.00 C ATOM 2525 C ARG A 169 -4.483 -17.278 5.104 1.00 0.00 C ATOM 2526 O ARG A 169 -4.287 -18.116 5.984 1.00 0.00 O ATOM 2527 CB ARG A 169 -2.149 -16.966 4.263 1.00 0.00 C ATOM 2528 CG ARG A 169 -1.152 -16.041 3.582 1.00 0.00 C ATOM 2529 CD ARG A 169 -0.004 -16.821 2.962 1.00 0.00 C ATOM 2530 NE ARG A 169 -0.449 -17.657 1.849 1.00 0.00 N ATOM 2531 CZ ARG A 169 0.369 -18.168 0.932 1.00 0.00 C ATOM 2532 NH1 ARG A 169 1.674 -17.929 0.991 1.00 0.00 N ATOM 2533 NH2 ARG A 169 -0.117 -18.919 -0.047 1.00 0.00 N ATOM 0 H ARG A 169 -2.582 -15.863 6.633 1.00 0.00 H new ATOM 0 HA ARG A 169 -3.795 -15.618 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -1.664 -17.447 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -2.432 -17.756 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -1.659 -15.462 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -0.760 -15.329 4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 169 0.759 -16.126 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 169 0.461 -17.448 3.723 1.00 0.00 H new ATOM 0 HE ARG A 169 -1.445 -17.861 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 169 2.053 -17.352 1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 169 2.297 -18.323 0.286 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -1.119 -19.105 -0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 169 0.511 -19.310 -0.749 1.00 0.00 H new ATOM 2547 N PHE A 170 -5.617 -17.206 4.414 1.00 0.00 N ATOM 2548 CA PHE A 170 -6.720 -18.129 4.657 1.00 0.00 C ATOM 2549 C PHE A 170 -6.721 -19.256 3.629 1.00 0.00 C ATOM 2550 O PHE A 170 -5.941 -19.243 2.677 1.00 0.00 O ATOM 2551 CB PHE A 170 -8.055 -17.382 4.617 1.00 0.00 C ATOM 2552 CG PHE A 170 -8.596 -17.047 5.978 1.00 0.00 C ATOM 2553 CD1 PHE A 170 -7.796 -16.424 6.922 1.00 0.00 C ATOM 2554 CD2 PHE A 170 -9.905 -17.358 6.313 1.00 0.00 C ATOM 2555 CE1 PHE A 170 -8.292 -16.115 8.175 1.00 0.00 C ATOM 2556 CE2 PHE A 170 -10.405 -17.052 7.564 1.00 0.00 C ATOM 2557 CZ PHE A 170 -9.598 -16.430 8.496 1.00 0.00 C ATOM 0 H PHE A 170 -5.796 -16.518 3.682 1.00 0.00 H new ATOM 0 HA PHE A 170 -6.587 -18.565 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -7.930 -16.461 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -8.786 -17.989 4.084 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -6.774 -16.177 6.676 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -10.541 -17.845 5.588 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -7.659 -15.628 8.902 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -11.426 -17.299 7.813 1.00 0.00 H new ATOM 0 HZ PHE A 170 -9.987 -16.190 9.474 1.00 0.00 H new