USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ -137:sc= -0.62 (180deg=-3.05!) USER MOD Set 1.2: A 163 SER OG : rot -28:sc= 0.191 USER MOD Set 2.1: A 8 TYR OH : rot -116:sc= 0.0497 USER MOD Set 2.2: A 82 LYS NZ :NH3+ 161:sc= -1.53 (180deg=-1.61) USER MOD Single : A 6 THR OG1 : rot 28:sc= 0.525 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00379 X(o=-0.0038,f=-0.35) USER MOD Single : A 46 ASN : amide:sc= -3.02! C(o=-3!,f=-5.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -2.14 K(o=-2.1,f=-9.9!) USER MOD Single : A 80 THR OG1 : rot -40:sc= 0.17 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0391 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -150:sc= -2.68 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 174:sc= 0.198 USER MOD Single : A 168 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N THR A 6 -6.014 -18.269 -3.808 1.00 0.00 N ATOM 93 CA THR A 6 -6.339 -18.019 -2.406 1.00 0.00 C ATOM 94 C THR A 6 -6.363 -16.524 -2.117 1.00 0.00 C ATOM 95 O THR A 6 -5.954 -15.714 -2.948 1.00 0.00 O ATOM 96 CB THR A 6 -5.324 -18.711 -1.494 1.00 0.00 C ATOM 97 OG1 THR A 6 -4.867 -19.918 -2.077 1.00 0.00 O ATOM 98 CG2 THR A 6 -5.877 -19.042 -0.125 1.00 0.00 C ATOM 0 HA THR A 6 -7.330 -18.427 -2.208 1.00 0.00 H new ATOM 0 HB THR A 6 -4.509 -17.997 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.922 -19.851 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.106 -19.531 0.470 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.192 -18.124 0.372 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.732 -19.710 -0.230 1.00 0.00 H new ATOM 106 N TRP A 7 -6.860 -16.163 -0.936 1.00 0.00 N ATOM 107 CA TRP A 7 -6.952 -14.763 -0.541 1.00 0.00 C ATOM 108 C TRP A 7 -6.239 -14.507 0.784 1.00 0.00 C ATOM 109 O TRP A 7 -5.942 -15.437 1.534 1.00 0.00 O ATOM 110 CB TRP A 7 -8.418 -14.341 -0.431 1.00 0.00 C ATOM 111 CG TRP A 7 -9.172 -15.078 0.633 1.00 0.00 C ATOM 112 CD1 TRP A 7 -9.458 -16.413 0.660 1.00 0.00 C ATOM 113 CD2 TRP A 7 -9.738 -14.522 1.825 1.00 0.00 C ATOM 114 NE1 TRP A 7 -10.167 -16.721 1.797 1.00 0.00 N ATOM 115 CE2 TRP A 7 -10.351 -15.577 2.528 1.00 0.00 C ATOM 116 CE3 TRP A 7 -9.785 -13.233 2.368 1.00 0.00 C ATOM 117 CZ2 TRP A 7 -11.003 -15.382 3.744 1.00 0.00 C ATOM 118 CZ3 TRP A 7 -10.432 -13.043 3.574 1.00 0.00 C ATOM 119 CH2 TRP A 7 -11.032 -14.111 4.251 1.00 0.00 C ATOM 0 H TRP A 7 -7.205 -16.822 -0.238 1.00 0.00 H new ATOM 0 HA TRP A 7 -6.459 -14.169 -1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -8.466 -13.272 -0.225 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -8.908 -14.503 -1.391 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.169 -17.123 -0.101 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.501 -17.650 2.054 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -9.324 -12.402 1.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.469 -16.204 4.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.476 -12.052 4.002 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.528 -13.928 5.193 1.00 0.00 H new ATOM 130 N TYR A 8 -5.976 -13.234 1.065 1.00 0.00 N ATOM 131 CA TYR A 8 -5.306 -12.842 2.300 1.00 0.00 C ATOM 132 C TYR A 8 -5.652 -11.405 2.675 1.00 0.00 C ATOM 133 O TYR A 8 -6.025 -10.601 1.819 1.00 0.00 O ATOM 134 CB TYR A 8 -3.791 -13.000 2.161 1.00 0.00 C ATOM 135 CG TYR A 8 -3.218 -12.329 0.932 1.00 0.00 C ATOM 136 CD1 TYR A 8 -2.794 -11.007 0.975 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.099 -13.019 -0.268 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.267 -10.391 -0.144 1.00 0.00 C ATOM 139 CE2 TYR A 8 -2.574 -12.409 -1.392 1.00 0.00 C ATOM 140 CZ TYR A 8 -2.161 -11.096 -1.324 1.00 0.00 C ATOM 141 OH TYR A 8 -1.637 -10.485 -2.441 1.00 0.00 O ATOM 0 H TYR A 8 -6.217 -12.455 0.452 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.656 -13.499 3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.309 -12.587 3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.547 -14.062 2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.878 -10.452 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.422 -14.048 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.940 -9.363 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.488 -12.958 -2.318 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.325 -10.431 -3.137 1.00 0.00 H new ATOM 151 N THR A 9 -5.522 -11.088 3.959 1.00 0.00 N ATOM 152 CA THR A 9 -5.815 -9.746 4.454 1.00 0.00 C ATOM 153 C THR A 9 -4.936 -9.413 5.654 1.00 0.00 C ATOM 154 O THR A 9 -4.518 -10.307 6.389 1.00 0.00 O ATOM 155 CB THR A 9 -7.292 -9.634 4.840 1.00 0.00 C ATOM 156 OG1 THR A 9 -7.761 -10.852 5.387 1.00 0.00 O ATOM 157 CG2 THR A 9 -8.189 -9.276 3.675 1.00 0.00 C ATOM 0 H THR A 9 -5.215 -11.743 4.678 1.00 0.00 H new ATOM 0 HA THR A 9 -5.602 -9.033 3.658 1.00 0.00 H new ATOM 0 HB THR A 9 -7.339 -8.829 5.574 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.706 -10.760 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.222 -9.213 4.017 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.884 -8.314 3.263 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.108 -10.043 2.905 1.00 0.00 H new ATOM 165 N GLY A 10 -4.655 -8.128 5.852 1.00 0.00 N ATOM 166 CA GLY A 10 -3.822 -7.734 6.973 1.00 0.00 C ATOM 167 C GLY A 10 -3.755 -6.235 7.172 1.00 0.00 C ATOM 168 O GLY A 10 -4.602 -5.491 6.679 1.00 0.00 O ATOM 0 H GLY A 10 -4.984 -7.362 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.205 -8.197 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.814 -8.119 6.820 1.00 0.00 H new ATOM 172 N ALA A 11 -2.730 -5.799 7.895 1.00 0.00 N ATOM 173 CA ALA A 11 -2.526 -4.384 8.166 1.00 0.00 C ATOM 174 C ALA A 11 -1.115 -3.963 7.773 1.00 0.00 C ATOM 175 O ALA A 11 -0.204 -4.790 7.742 1.00 0.00 O ATOM 176 CB ALA A 11 -2.782 -4.083 9.635 1.00 0.00 C ATOM 0 H ALA A 11 -2.024 -6.411 8.306 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.235 -3.812 7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.625 -3.021 9.821 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.809 -4.348 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.096 -4.665 10.251 1.00 0.00 H new ATOM 182 N LYS A 12 -0.933 -2.686 7.464 1.00 0.00 N ATOM 183 CA LYS A 12 0.379 -2.193 7.067 1.00 0.00 C ATOM 184 C LYS A 12 0.645 -0.800 7.623 1.00 0.00 C ATOM 185 O LYS A 12 -0.263 0.022 7.738 1.00 0.00 O ATOM 186 CB LYS A 12 0.495 -2.172 5.541 1.00 0.00 C ATOM 187 CG LYS A 12 1.931 -2.187 5.041 1.00 0.00 C ATOM 188 CD LYS A 12 2.001 -2.549 3.566 1.00 0.00 C ATOM 189 CE LYS A 12 3.383 -2.282 2.992 1.00 0.00 C ATOM 190 NZ LYS A 12 3.314 -1.700 1.623 1.00 0.00 N ATOM 0 H LYS A 12 -1.668 -1.979 7.480 1.00 0.00 H new ATOM 0 HA LYS A 12 1.126 -2.871 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.032 -3.034 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.005 -1.282 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.383 -1.208 5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.512 -2.904 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.749 -3.602 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.259 -1.973 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.923 -1.601 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.950 -3.213 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.024 -2.157 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.366 -1.858 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.504 -0.679 1.670 1.00 0.00 H new ATOM 204 N LEU A 13 1.905 -0.543 7.947 1.00 0.00 N ATOM 205 CA LEU A 13 2.320 0.751 8.470 1.00 0.00 C ATOM 206 C LEU A 13 3.698 1.098 7.924 1.00 0.00 C ATOM 207 O LEU A 13 4.662 0.368 8.154 1.00 0.00 O ATOM 208 CB LEU A 13 2.345 0.731 10.000 1.00 0.00 C ATOM 209 CG LEU A 13 1.145 0.049 10.659 1.00 0.00 C ATOM 210 CD1 LEU A 13 1.396 -1.442 10.812 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.849 0.684 12.010 1.00 0.00 C ATOM 0 H LEU A 13 2.663 -1.220 7.856 1.00 0.00 H new ATOM 0 HA LEU A 13 1.604 1.509 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.254 0.227 10.327 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.403 1.758 10.361 1.00 0.00 H new ATOM 0 HG LEU A 13 0.275 0.185 10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.531 -1.910 11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.559 -1.886 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.278 -1.601 11.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.008 0.187 12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.718 0.578 12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.625 1.742 11.873 1.00 0.00 H new ATOM 556 N ALA A 37 0.217 4.508 8.848 1.00 0.00 N ATOM 557 CA ALA A 37 -0.523 3.294 9.177 1.00 0.00 C ATOM 558 C ALA A 37 -1.697 3.073 8.227 1.00 0.00 C ATOM 559 O ALA A 37 -2.244 4.021 7.664 1.00 0.00 O ATOM 560 CB ALA A 37 -1.014 3.354 10.616 1.00 0.00 C ATOM 0 HA ALA A 37 0.157 2.450 9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.565 2.443 10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.161 3.445 11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.669 4.216 10.741 1.00 0.00 H new ATOM 566 N GLY A 38 -2.077 1.809 8.058 1.00 0.00 N ATOM 567 CA GLY A 38 -3.184 1.481 7.176 1.00 0.00 C ATOM 568 C GLY A 38 -3.523 0.002 7.163 1.00 0.00 C ATOM 569 O GLY A 38 -2.970 -0.779 7.936 1.00 0.00 O ATOM 0 H GLY A 38 -1.640 1.008 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.064 2.046 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.939 1.799 6.163 1.00 0.00 H new ATOM 573 N ALA A 39 -4.435 -0.377 6.271 1.00 0.00 N ATOM 574 CA ALA A 39 -4.852 -1.769 6.142 1.00 0.00 C ATOM 575 C ALA A 39 -4.805 -2.209 4.684 1.00 0.00 C ATOM 576 O ALA A 39 -4.912 -1.378 3.782 1.00 0.00 O ATOM 577 CB ALA A 39 -6.250 -1.959 6.712 1.00 0.00 C ATOM 0 H ALA A 39 -4.900 0.262 5.626 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.160 -2.391 6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.547 -3.003 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.253 -1.684 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.953 -1.326 6.170 1.00 0.00 H new ATOM 583 N PHE A 40 -4.636 -3.507 4.445 1.00 0.00 N ATOM 584 CA PHE A 40 -4.569 -4.003 3.077 1.00 0.00 C ATOM 585 C PHE A 40 -4.880 -5.493 2.987 1.00 0.00 C ATOM 586 O PHE A 40 -4.813 -6.222 3.979 1.00 0.00 O ATOM 587 CB PHE A 40 -3.186 -3.719 2.481 1.00 0.00 C ATOM 588 CG PHE A 40 -2.103 -4.637 2.982 1.00 0.00 C ATOM 589 CD1 PHE A 40 -1.917 -4.838 4.341 1.00 0.00 C ATOM 590 CD2 PHE A 40 -1.273 -5.298 2.090 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.924 -5.682 4.800 1.00 0.00 C ATOM 592 CE2 PHE A 40 -0.278 -6.142 2.545 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.103 -6.334 3.901 1.00 0.00 C ATOM 0 H PHE A 40 -4.545 -4.221 5.167 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.331 -3.476 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.245 -3.802 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.909 -2.689 2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.555 -4.329 5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.405 -5.152 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.790 -5.832 5.861 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.363 -6.651 1.840 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.675 -6.993 4.258 1.00 0.00 H new ATOM 603 N GLY A 41 -5.210 -5.929 1.778 1.00 0.00 N ATOM 604 CA GLY A 41 -5.522 -7.323 1.532 1.00 0.00 C ATOM 605 C GLY A 41 -5.264 -7.695 0.088 1.00 0.00 C ATOM 606 O GLY A 41 -5.209 -6.819 -0.777 1.00 0.00 O ATOM 0 H GLY A 41 -5.267 -5.332 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.920 -7.954 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.567 -7.514 1.778 1.00 0.00 H new ATOM 610 N GLY A 42 -5.095 -8.982 -0.185 1.00 0.00 N ATOM 611 CA GLY A 42 -4.833 -9.401 -1.548 1.00 0.00 C ATOM 612 C GLY A 42 -5.184 -10.850 -1.814 1.00 0.00 C ATOM 613 O GLY A 42 -5.378 -11.637 -0.889 1.00 0.00 O ATOM 0 H GLY A 42 -5.134 -9.735 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.400 -8.767 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.778 -9.244 -1.771 1.00 0.00 H new ATOM 617 N TYR A 43 -5.256 -11.193 -3.095 1.00 0.00 N ATOM 618 CA TYR A 43 -5.574 -12.551 -3.515 1.00 0.00 C ATOM 619 C TYR A 43 -4.434 -13.132 -4.341 1.00 0.00 C ATOM 620 O TYR A 43 -3.902 -12.469 -5.230 1.00 0.00 O ATOM 621 CB TYR A 43 -6.870 -12.568 -4.327 1.00 0.00 C ATOM 622 CG TYR A 43 -8.087 -12.132 -3.541 1.00 0.00 C ATOM 623 CD1 TYR A 43 -8.173 -10.853 -3.009 1.00 0.00 C ATOM 624 CD2 TYR A 43 -9.149 -13.003 -3.332 1.00 0.00 C ATOM 625 CE1 TYR A 43 -9.283 -10.452 -2.289 1.00 0.00 C ATOM 626 CE2 TYR A 43 -10.263 -12.609 -2.614 1.00 0.00 C ATOM 627 CZ TYR A 43 -10.324 -11.333 -2.096 1.00 0.00 C ATOM 628 OH TYR A 43 -11.431 -10.938 -1.379 1.00 0.00 O ATOM 0 H TYR A 43 -5.097 -10.543 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.710 -13.164 -2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.755 -11.915 -5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.036 -13.576 -4.708 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.359 -10.159 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.104 -14.003 -3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.334 -9.454 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.081 -13.297 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.074 -11.677 -1.336 1.00 0.00 H new ATOM 638 N GLN A 44 -4.067 -14.376 -4.053 1.00 0.00 N ATOM 639 CA GLN A 44 -2.995 -15.041 -4.780 1.00 0.00 C ATOM 640 C GLN A 44 -3.569 -15.884 -5.913 1.00 0.00 C ATOM 641 O GLN A 44 -4.440 -16.730 -5.691 1.00 0.00 O ATOM 642 CB GLN A 44 -2.175 -15.922 -3.835 1.00 0.00 C ATOM 643 CG GLN A 44 -0.966 -15.215 -3.243 1.00 0.00 C ATOM 644 CD GLN A 44 -0.646 -15.686 -1.837 1.00 0.00 C ATOM 645 OE1 GLN A 44 -1.498 -15.649 -0.949 1.00 0.00 O ATOM 646 NE2 GLN A 44 0.586 -16.133 -1.629 1.00 0.00 N ATOM 0 H GLN A 44 -4.496 -14.943 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.341 -14.279 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.817 -16.267 -3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.840 -16.807 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.101 -15.383 -3.884 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.148 -14.140 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.260 -16.146 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.859 -16.464 -0.704 1.00 0.00 H new ATOM 655 N VAL A 45 -3.075 -15.647 -7.125 1.00 0.00 N ATOM 656 CA VAL A 45 -3.535 -16.380 -8.296 1.00 0.00 C ATOM 657 C VAL A 45 -2.656 -17.595 -8.555 1.00 0.00 C ATOM 658 O VAL A 45 -3.138 -18.654 -8.953 1.00 0.00 O ATOM 659 CB VAL A 45 -3.545 -15.489 -9.552 1.00 0.00 C ATOM 660 CG1 VAL A 45 -4.228 -16.204 -10.708 1.00 0.00 C ATOM 661 CG2 VAL A 45 -4.226 -14.160 -9.259 1.00 0.00 C ATOM 0 H VAL A 45 -2.355 -14.951 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.554 -16.706 -8.087 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.513 -15.286 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.226 -15.559 -11.587 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.692 -17.126 -10.933 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.256 -16.440 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.223 -13.544 -10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.254 -14.339 -8.945 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.689 -13.643 -8.464 1.00 0.00 H new ATOM 671 N ASN A 46 -1.357 -17.428 -8.322 1.00 0.00 N ATOM 672 CA ASN A 46 -0.389 -18.497 -8.521 1.00 0.00 C ATOM 673 C ASN A 46 0.822 -18.286 -7.612 1.00 0.00 C ATOM 674 O ASN A 46 0.874 -17.319 -6.852 1.00 0.00 O ATOM 675 CB ASN A 46 0.045 -18.552 -9.989 1.00 0.00 C ATOM 676 CG ASN A 46 -0.235 -19.900 -10.624 1.00 0.00 C ATOM 677 OD1 ASN A 46 -1.027 -20.689 -10.110 1.00 0.00 O ATOM 678 ND2 ASN A 46 0.415 -20.170 -11.750 1.00 0.00 N ATOM 0 H ASN A 46 -0.950 -16.553 -7.992 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.856 -19.448 -8.263 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.476 -17.775 -10.548 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.111 -18.335 -10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.266 -21.061 -12.224 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.063 -19.486 -12.141 1.00 0.00 H new ATOM 685 N PRO A 47 1.808 -19.197 -7.662 1.00 0.00 N ATOM 686 CA PRO A 47 3.010 -19.111 -6.824 1.00 0.00 C ATOM 687 C PRO A 47 3.835 -17.845 -7.060 1.00 0.00 C ATOM 688 O PRO A 47 4.571 -17.410 -6.174 1.00 0.00 O ATOM 689 CB PRO A 47 3.823 -20.349 -7.224 1.00 0.00 C ATOM 690 CG PRO A 47 2.840 -21.273 -7.855 1.00 0.00 C ATOM 691 CD PRO A 47 1.822 -20.393 -8.521 1.00 0.00 C ATOM 0 HA PRO A 47 2.742 -19.071 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.621 -20.088 -7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.294 -20.809 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.326 -21.926 -8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.373 -21.916 -7.109 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.105 -20.151 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.843 -20.870 -8.565 1.00 0.00 H new ATOM 699 N TYR A 48 3.740 -17.267 -8.257 1.00 0.00 N ATOM 700 CA TYR A 48 4.522 -16.071 -8.573 1.00 0.00 C ATOM 701 C TYR A 48 3.671 -14.924 -9.122 1.00 0.00 C ATOM 702 O TYR A 48 4.213 -13.887 -9.506 1.00 0.00 O ATOM 703 CB TYR A 48 5.620 -16.418 -9.580 1.00 0.00 C ATOM 704 CG TYR A 48 5.124 -17.210 -10.769 1.00 0.00 C ATOM 705 CD1 TYR A 48 5.039 -18.595 -10.719 1.00 0.00 C ATOM 706 CD2 TYR A 48 4.741 -16.570 -11.941 1.00 0.00 C ATOM 707 CE1 TYR A 48 4.586 -19.321 -11.804 1.00 0.00 C ATOM 708 CE2 TYR A 48 4.286 -17.289 -13.031 1.00 0.00 C ATOM 709 CZ TYR A 48 4.211 -18.665 -12.957 1.00 0.00 C ATOM 710 OH TYR A 48 3.760 -19.383 -14.039 1.00 0.00 O ATOM 0 H TYR A 48 3.141 -17.600 -9.012 1.00 0.00 H new ATOM 0 HA TYR A 48 4.958 -15.726 -7.635 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.080 -15.496 -9.935 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.399 -16.988 -9.074 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.332 -19.113 -9.818 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.800 -15.493 -12.002 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.526 -20.398 -11.749 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.991 -16.777 -13.935 1.00 0.00 H new ATOM 0 HH TYR A 48 3.536 -18.769 -14.769 1.00 0.00 H new ATOM 720 N VAL A 49 2.354 -15.091 -9.166 1.00 0.00 N ATOM 721 CA VAL A 49 1.487 -14.034 -9.682 1.00 0.00 C ATOM 722 C VAL A 49 0.215 -13.891 -8.851 1.00 0.00 C ATOM 723 O VAL A 49 -0.610 -14.802 -8.798 1.00 0.00 O ATOM 724 CB VAL A 49 1.108 -14.285 -11.156 1.00 0.00 C ATOM 725 CG1 VAL A 49 0.364 -15.602 -11.302 1.00 0.00 C ATOM 726 CG2 VAL A 49 0.280 -13.131 -11.702 1.00 0.00 C ATOM 0 H VAL A 49 1.868 -15.933 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 49 2.056 -13.107 -9.614 1.00 0.00 H new ATOM 0 HB VAL A 49 2.026 -14.348 -11.740 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.106 -15.760 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.999 -16.419 -10.958 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.547 -15.574 -10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.023 -13.328 -12.743 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.633 -13.029 -11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.856 -12.208 -11.639 1.00 0.00 H new ATOM 736 N GLY A 50 0.062 -12.736 -8.207 1.00 0.00 N ATOM 737 CA GLY A 50 -1.112 -12.492 -7.391 1.00 0.00 C ATOM 738 C GLY A 50 -1.575 -11.048 -7.450 1.00 0.00 C ATOM 739 O GLY A 50 -1.016 -10.240 -8.191 1.00 0.00 O ATOM 0 H GLY A 50 0.731 -11.966 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.921 -13.143 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.892 -12.757 -6.357 1.00 0.00 H new ATOM 743 N PHE A 51 -2.593 -10.722 -6.660 1.00 0.00 N ATOM 744 CA PHE A 51 -3.127 -9.366 -6.617 1.00 0.00 C ATOM 745 C PHE A 51 -3.173 -8.857 -5.180 1.00 0.00 C ATOM 746 O PHE A 51 -3.336 -9.639 -4.244 1.00 0.00 O ATOM 747 CB PHE A 51 -4.528 -9.325 -7.231 1.00 0.00 C ATOM 748 CG PHE A 51 -4.531 -9.005 -8.699 1.00 0.00 C ATOM 749 CD1 PHE A 51 -4.558 -7.689 -9.134 1.00 0.00 C ATOM 750 CD2 PHE A 51 -4.507 -10.019 -9.642 1.00 0.00 C ATOM 751 CE1 PHE A 51 -4.562 -7.392 -10.483 1.00 0.00 C ATOM 752 CE2 PHE A 51 -4.510 -9.727 -10.993 1.00 0.00 C ATOM 753 CZ PHE A 51 -4.537 -8.412 -11.414 1.00 0.00 C ATOM 0 H PHE A 51 -3.065 -11.380 -6.040 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.469 -8.719 -7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.012 -10.289 -7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.125 -8.581 -6.704 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.576 -6.887 -8.410 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.486 -11.049 -9.318 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.585 -6.363 -10.810 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.491 -10.527 -11.719 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.539 -8.182 -12.469 1.00 0.00 H new ATOM 763 N GLU A 52 -3.021 -7.547 -5.006 1.00 0.00 N ATOM 764 CA GLU A 52 -3.039 -6.956 -3.672 1.00 0.00 C ATOM 765 C GLU A 52 -3.626 -5.548 -3.690 1.00 0.00 C ATOM 766 O GLU A 52 -3.312 -4.740 -4.563 1.00 0.00 O ATOM 767 CB GLU A 52 -1.623 -6.921 -3.094 1.00 0.00 C ATOM 768 CG GLU A 52 -1.566 -7.225 -1.606 1.00 0.00 C ATOM 769 CD GLU A 52 -0.263 -7.883 -1.193 1.00 0.00 C ATOM 770 OE1 GLU A 52 0.467 -8.364 -2.085 1.00 0.00 O ATOM 771 OE2 GLU A 52 0.026 -7.918 0.022 1.00 0.00 O ATOM 0 H GLU A 52 -2.885 -6.880 -5.765 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.675 -7.578 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.004 -7.642 -3.628 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.191 -5.936 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.695 -6.299 -1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.398 -7.877 -1.340 1.00 0.00 H new ATOM 778 N MET A 53 -4.474 -5.265 -2.707 1.00 0.00 N ATOM 779 CA MET A 53 -5.107 -3.956 -2.586 1.00 0.00 C ATOM 780 C MET A 53 -4.906 -3.401 -1.180 1.00 0.00 C ATOM 781 O MET A 53 -4.704 -4.159 -0.232 1.00 0.00 O ATOM 782 CB MET A 53 -6.601 -4.056 -2.902 1.00 0.00 C ATOM 783 CG MET A 53 -6.894 -4.405 -4.352 1.00 0.00 C ATOM 784 SD MET A 53 -7.239 -6.158 -4.588 1.00 0.00 S ATOM 785 CE MET A 53 -9.030 -6.148 -4.632 1.00 0.00 C ATOM 0 H MET A 53 -4.740 -5.928 -1.979 1.00 0.00 H new ATOM 0 HA MET A 53 -4.642 -3.278 -3.302 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.050 -4.811 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.079 -3.106 -2.662 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.747 -3.821 -4.697 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.042 -4.120 -4.970 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.396 -7.165 -4.773 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.415 -5.751 -3.693 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.370 -5.522 -5.457 1.00 0.00 H new ATOM 795 N GLY A 54 -4.956 -2.079 -1.044 1.00 0.00 N ATOM 796 CA GLY A 54 -4.770 -1.471 0.262 1.00 0.00 C ATOM 797 C GLY A 54 -5.332 -0.065 0.352 1.00 0.00 C ATOM 798 O GLY A 54 -5.515 0.608 -0.663 1.00 0.00 O ATOM 0 H GLY A 54 -5.120 -1.423 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.247 -2.095 1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.706 -1.446 0.496 1.00 0.00 H new ATOM 802 N TYR A 55 -5.603 0.373 1.578 1.00 0.00 N ATOM 803 CA TYR A 55 -6.148 1.705 1.814 1.00 0.00 C ATOM 804 C TYR A 55 -5.890 2.149 3.251 1.00 0.00 C ATOM 805 O TYR A 55 -5.505 1.345 4.101 1.00 0.00 O ATOM 806 CB TYR A 55 -7.649 1.725 1.523 1.00 0.00 C ATOM 807 CG TYR A 55 -8.441 0.741 2.355 1.00 0.00 C ATOM 808 CD1 TYR A 55 -8.474 -0.608 2.024 1.00 0.00 C ATOM 809 CD2 TYR A 55 -9.155 1.162 3.469 1.00 0.00 C ATOM 810 CE1 TYR A 55 -9.198 -1.510 2.782 1.00 0.00 C ATOM 811 CE2 TYR A 55 -9.880 0.266 4.232 1.00 0.00 C ATOM 812 CZ TYR A 55 -9.898 -1.069 3.884 1.00 0.00 C ATOM 813 OH TYR A 55 -10.619 -1.963 4.641 1.00 0.00 O ATOM 0 H TYR A 55 -5.454 -0.176 2.424 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.647 2.401 1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.032 2.730 1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.809 1.506 0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.926 -0.957 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.144 2.206 3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.215 -2.555 2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.430 0.609 5.096 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.053 -1.490 5.382 1.00 0.00 H new ATOM 1136 N VAL A 77 -8.592 4.706 -2.073 1.00 0.00 N ATOM 1137 CA VAL A 77 -8.231 3.294 -2.097 1.00 0.00 C ATOM 1138 C VAL A 77 -7.152 3.022 -3.141 1.00 0.00 C ATOM 1139 O VAL A 77 -6.985 3.791 -4.088 1.00 0.00 O ATOM 1140 CB VAL A 77 -9.457 2.406 -2.390 1.00 0.00 C ATOM 1141 CG1 VAL A 77 -10.043 2.732 -3.755 1.00 0.00 C ATOM 1142 CG2 VAL A 77 -9.086 0.932 -2.298 1.00 0.00 C ATOM 0 HA VAL A 77 -7.844 3.047 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.217 2.613 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.907 2.094 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.352 3.777 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.291 2.559 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.965 0.322 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.306 0.707 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.722 0.710 -1.295 1.00 0.00 H new ATOM 1152 N GLN A 78 -6.420 1.927 -2.963 1.00 0.00 N ATOM 1153 CA GLN A 78 -5.358 1.562 -3.893 1.00 0.00 C ATOM 1154 C GLN A 78 -5.487 0.106 -4.329 1.00 0.00 C ATOM 1155 O GLN A 78 -5.845 -0.765 -3.536 1.00 0.00 O ATOM 1156 CB GLN A 78 -3.988 1.794 -3.251 1.00 0.00 C ATOM 1157 CG GLN A 78 -2.823 1.494 -4.179 1.00 0.00 C ATOM 1158 CD GLN A 78 -1.540 1.199 -3.426 1.00 0.00 C ATOM 1159 OE1 GLN A 78 -0.790 0.291 -3.786 1.00 0.00 O ATOM 1160 NE2 GLN A 78 -1.282 1.966 -2.374 1.00 0.00 N ATOM 0 H GLN A 78 -6.542 1.279 -2.185 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.452 2.194 -4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.921 2.831 -2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.903 1.170 -2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.075 0.641 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.663 2.344 -4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.932 2.707 -2.112 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.434 1.814 -1.828 1.00 0.00 H new ATOM 1169 N LEU A 79 -5.177 -0.146 -5.598 1.00 0.00 N ATOM 1170 CA LEU A 79 -5.238 -1.491 -6.156 1.00 0.00 C ATOM 1171 C LEU A 79 -3.953 -1.794 -6.917 1.00 0.00 C ATOM 1172 O LEU A 79 -3.500 -0.983 -7.725 1.00 0.00 O ATOM 1173 CB LEU A 79 -6.445 -1.632 -7.086 1.00 0.00 C ATOM 1174 CG LEU A 79 -6.719 -0.421 -7.979 1.00 0.00 C ATOM 1175 CD1 LEU A 79 -7.346 -0.859 -9.293 1.00 0.00 C ATOM 1176 CD2 LEU A 79 -7.616 0.576 -7.263 1.00 0.00 C ATOM 0 H LEU A 79 -4.879 0.569 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.347 -2.204 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.296 -2.506 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.330 -1.826 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.770 0.068 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.534 0.016 -9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.667 -1.535 -9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.287 -1.372 -9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.801 1.431 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.564 0.099 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.128 0.914 -6.349 1.00 0.00 H new ATOM 1188 N THR A 80 -3.355 -2.952 -6.650 1.00 0.00 N ATOM 1189 CA THR A 80 -2.110 -3.321 -7.315 1.00 0.00 C ATOM 1190 C THR A 80 -1.959 -4.835 -7.441 1.00 0.00 C ATOM 1191 O THR A 80 -2.743 -5.607 -6.891 1.00 0.00 O ATOM 1192 CB THR A 80 -0.911 -2.748 -6.551 1.00 0.00 C ATOM 1193 OG1 THR A 80 -0.538 -3.607 -5.487 1.00 0.00 O ATOM 1194 CG2 THR A 80 -1.162 -1.376 -5.961 1.00 0.00 C ATOM 0 H THR A 80 -3.707 -3.642 -5.987 1.00 0.00 H new ATOM 0 HA THR A 80 -2.142 -2.900 -8.320 1.00 0.00 H new ATOM 0 HB THR A 80 -0.118 -2.662 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.343 -3.965 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.269 -1.037 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.402 -0.675 -6.760 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.996 -1.428 -5.262 1.00 0.00 H new ATOM 1202 N ALA A 81 -0.918 -5.233 -8.166 1.00 0.00 N ATOM 1203 CA ALA A 81 -0.608 -6.643 -8.375 1.00 0.00 C ATOM 1204 C ALA A 81 0.666 -7.013 -7.623 1.00 0.00 C ATOM 1205 O ALA A 81 1.600 -6.215 -7.549 1.00 0.00 O ATOM 1206 CB ALA A 81 -0.456 -6.940 -9.860 1.00 0.00 C ATOM 0 H ALA A 81 -0.269 -4.592 -8.622 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.431 -7.245 -7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.225 -7.996 -9.998 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.386 -6.702 -10.376 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.352 -6.335 -10.271 1.00 0.00 H new ATOM 1212 N LYS A 82 0.703 -8.215 -7.056 1.00 0.00 N ATOM 1213 CA LYS A 82 1.871 -8.659 -6.304 1.00 0.00 C ATOM 1214 C LYS A 82 2.642 -9.739 -7.057 1.00 0.00 C ATOM 1215 O LYS A 82 2.075 -10.752 -7.469 1.00 0.00 O ATOM 1216 CB LYS A 82 1.450 -9.179 -4.928 1.00 0.00 C ATOM 1217 CG LYS A 82 0.658 -10.478 -4.979 1.00 0.00 C ATOM 1218 CD LYS A 82 1.463 -11.651 -4.437 1.00 0.00 C ATOM 1219 CE LYS A 82 0.771 -12.304 -3.251 1.00 0.00 C ATOM 1220 NZ LYS A 82 1.332 -11.835 -1.953 1.00 0.00 N ATOM 0 H LYS A 82 -0.056 -8.894 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 82 2.530 -7.800 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.341 -9.331 -4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.850 -8.418 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.259 -10.368 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.363 -10.684 -6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.608 -12.389 -5.226 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.453 -11.306 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.296 -12.083 -3.286 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.875 -13.387 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.655 -12.035 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.226 -12.331 -1.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.508 -10.811 -2.001 1.00 0.00 H new ATOM 1234 N LEU A 83 3.942 -9.515 -7.225 1.00 0.00 N ATOM 1235 CA LEU A 83 4.807 -10.462 -7.918 1.00 0.00 C ATOM 1236 C LEU A 83 6.046 -10.758 -7.080 1.00 0.00 C ATOM 1237 O LEU A 83 6.896 -9.888 -6.885 1.00 0.00 O ATOM 1238 CB LEU A 83 5.217 -9.908 -9.284 1.00 0.00 C ATOM 1239 CG LEU A 83 4.087 -9.266 -10.089 1.00 0.00 C ATOM 1240 CD1 LEU A 83 3.962 -7.789 -9.748 1.00 0.00 C ATOM 1241 CD2 LEU A 83 4.321 -9.454 -11.580 1.00 0.00 C ATOM 0 H LEU A 83 4.421 -8.680 -6.888 1.00 0.00 H new ATOM 0 HA LEU A 83 4.254 -11.389 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.004 -9.168 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.647 -10.718 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 83 3.152 -9.759 -9.824 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.153 -7.348 -10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.747 -7.678 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.897 -7.281 -9.984 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.507 -8.991 -12.137 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.265 -8.988 -11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.359 -10.519 -11.811 1.00 0.00 H new ATOM 1253 N GLY A 84 6.136 -11.983 -6.574 1.00 0.00 N ATOM 1254 CA GLY A 84 7.271 -12.356 -5.752 1.00 0.00 C ATOM 1255 C GLY A 84 7.871 -13.694 -6.132 1.00 0.00 C ATOM 1256 O GLY A 84 7.297 -14.444 -6.920 1.00 0.00 O ATOM 0 H GLY A 84 5.447 -12.721 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.038 -11.586 -5.832 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.960 -12.388 -4.708 1.00 0.00 H new ATOM 1260 N TYR A 85 9.034 -13.990 -5.559 1.00 0.00 N ATOM 1261 CA TYR A 85 9.725 -15.244 -5.826 1.00 0.00 C ATOM 1262 C TYR A 85 9.942 -16.024 -4.531 1.00 0.00 C ATOM 1263 O TYR A 85 10.304 -15.447 -3.504 1.00 0.00 O ATOM 1264 CB TYR A 85 11.069 -14.976 -6.506 1.00 0.00 C ATOM 1265 CG TYR A 85 11.467 -16.041 -7.504 1.00 0.00 C ATOM 1266 CD1 TYR A 85 11.009 -15.998 -8.814 1.00 0.00 C ATOM 1267 CD2 TYR A 85 12.299 -17.090 -7.134 1.00 0.00 C ATOM 1268 CE1 TYR A 85 11.370 -16.970 -9.729 1.00 0.00 C ATOM 1269 CE2 TYR A 85 12.665 -18.065 -8.042 1.00 0.00 C ATOM 1270 CZ TYR A 85 12.197 -18.001 -9.338 1.00 0.00 C ATOM 1271 OH TYR A 85 12.558 -18.970 -10.245 1.00 0.00 O ATOM 0 H TYR A 85 9.518 -13.375 -4.905 1.00 0.00 H new ATOM 0 HA TYR A 85 9.104 -15.842 -6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.024 -14.013 -7.014 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.843 -14.898 -5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.360 -15.192 -9.124 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.666 -17.144 -6.120 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.006 -16.922 -10.745 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.314 -18.873 -7.739 1.00 0.00 H new ATOM 0 HH TYR A 85 13.145 -19.623 -9.810 1.00 0.00 H new ATOM 1281 N PRO A 86 9.718 -17.350 -4.559 1.00 0.00 N ATOM 1282 CA PRO A 86 9.884 -18.203 -3.385 1.00 0.00 C ATOM 1283 C PRO A 86 11.332 -18.630 -3.170 1.00 0.00 C ATOM 1284 O PRO A 86 11.803 -19.591 -3.780 1.00 0.00 O ATOM 1285 CB PRO A 86 9.016 -19.410 -3.724 1.00 0.00 C ATOM 1286 CG PRO A 86 9.104 -19.525 -5.208 1.00 0.00 C ATOM 1287 CD PRO A 86 9.275 -18.123 -5.738 1.00 0.00 C ATOM 0 HA PRO A 86 9.606 -17.694 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.381 -20.312 -3.233 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.987 -19.263 -3.397 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.945 -20.155 -5.499 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.204 -19.986 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.012 -18.086 -6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.342 -17.733 -6.144 1.00 0.00 H new ATOM 1295 N ILE A 87 12.030 -17.919 -2.291 1.00 0.00 N ATOM 1296 CA ILE A 87 13.421 -18.234 -1.988 1.00 0.00 C ATOM 1297 C ILE A 87 13.502 -19.388 -0.996 1.00 0.00 C ATOM 1298 O ILE A 87 14.398 -20.229 -1.072 1.00 0.00 O ATOM 1299 CB ILE A 87 14.163 -17.016 -1.406 1.00 0.00 C ATOM 1300 CG1 ILE A 87 13.935 -15.784 -2.284 1.00 0.00 C ATOM 1301 CG2 ILE A 87 15.649 -17.313 -1.277 1.00 0.00 C ATOM 1302 CD1 ILE A 87 14.622 -14.539 -1.769 1.00 0.00 C ATOM 0 H ILE A 87 11.656 -17.122 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 87 13.899 -18.519 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 87 13.766 -16.809 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 87 14.292 -15.995 -3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 87 12.864 -15.594 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 87 16.159 -16.443 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 87 15.793 -18.166 -0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 87 16.061 -17.543 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 87 14.417 -13.706 -2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 87 14.248 -14.303 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 87 15.697 -14.710 -1.721 1.00 0.00 H new ATOM 1314 N THR A 88 12.548 -19.419 -0.071 1.00 0.00 N ATOM 1315 CA THR A 88 12.491 -20.467 0.941 1.00 0.00 C ATOM 1316 C THR A 88 11.041 -20.751 1.321 1.00 0.00 C ATOM 1317 O THR A 88 10.147 -19.966 1.005 1.00 0.00 O ATOM 1318 CB THR A 88 13.292 -20.059 2.178 1.00 0.00 C ATOM 1319 OG1 THR A 88 14.602 -19.659 1.817 1.00 0.00 O ATOM 1320 CG2 THR A 88 13.416 -21.164 3.204 1.00 0.00 C ATOM 0 H THR A 88 11.801 -18.727 -0.002 1.00 0.00 H new ATOM 0 HA THR A 88 12.931 -21.375 0.528 1.00 0.00 H new ATOM 0 HB THR A 88 12.735 -19.234 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.098 -19.400 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.996 -20.807 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 88 12.423 -21.461 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.919 -22.021 2.756 1.00 0.00 H new ATOM 1328 N ASP A 89 10.804 -21.875 1.988 1.00 0.00 N ATOM 1329 CA ASP A 89 9.453 -22.250 2.390 1.00 0.00 C ATOM 1330 C ASP A 89 8.837 -21.208 3.319 1.00 0.00 C ATOM 1331 O ASP A 89 7.615 -21.069 3.380 1.00 0.00 O ATOM 1332 CB ASP A 89 9.467 -23.616 3.079 1.00 0.00 C ATOM 1333 CG ASP A 89 8.235 -24.438 2.758 1.00 0.00 C ATOM 1334 OD1 ASP A 89 7.986 -24.693 1.561 1.00 0.00 O ATOM 1335 OD2 ASP A 89 7.517 -24.827 3.704 1.00 0.00 O ATOM 0 H ASP A 89 11.527 -22.541 2.261 1.00 0.00 H new ATOM 0 HA ASP A 89 8.842 -22.304 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.357 -24.165 2.772 1.00 0.00 H new ATOM 0 HB3 ASP A 89 9.535 -23.475 4.158 1.00 0.00 H new ATOM 1340 N ASP A 90 9.679 -20.490 4.055 1.00 0.00 N ATOM 1341 CA ASP A 90 9.193 -19.481 4.991 1.00 0.00 C ATOM 1342 C ASP A 90 9.564 -18.068 4.550 1.00 0.00 C ATOM 1343 O ASP A 90 8.805 -17.126 4.773 1.00 0.00 O ATOM 1344 CB ASP A 90 9.752 -19.748 6.390 1.00 0.00 C ATOM 1345 CG ASP A 90 9.196 -21.020 7.000 1.00 0.00 C ATOM 1346 OD1 ASP A 90 7.976 -21.254 6.876 1.00 0.00 O ATOM 1347 OD2 ASP A 90 9.981 -21.781 7.605 1.00 0.00 O ATOM 0 H ASP A 90 10.694 -20.586 4.023 1.00 0.00 H new ATOM 0 HA ASP A 90 8.105 -19.550 5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.838 -19.818 6.337 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.518 -18.904 7.039 1.00 0.00 H new ATOM 1352 N LEU A 91 10.735 -17.917 3.939 1.00 0.00 N ATOM 1353 CA LEU A 91 11.192 -16.604 3.494 1.00 0.00 C ATOM 1354 C LEU A 91 11.021 -16.428 1.988 1.00 0.00 C ATOM 1355 O LEU A 91 11.530 -17.220 1.196 1.00 0.00 O ATOM 1356 CB LEU A 91 12.659 -16.399 3.876 1.00 0.00 C ATOM 1357 CG LEU A 91 13.199 -14.988 3.639 1.00 0.00 C ATOM 1358 CD1 LEU A 91 12.737 -14.047 4.740 1.00 0.00 C ATOM 1359 CD2 LEU A 91 14.718 -15.007 3.554 1.00 0.00 C ATOM 0 H LEU A 91 11.381 -18.681 3.742 1.00 0.00 H new ATOM 0 HA LEU A 91 10.577 -15.855 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.782 -16.646 4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 91 13.268 -17.104 3.310 1.00 0.00 H new ATOM 0 HG LEU A 91 12.806 -14.624 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.131 -13.048 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 91 11.648 -14.010 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.100 -14.407 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.086 -13.995 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.130 -15.392 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 91 15.028 -15.648 2.729 1.00 0.00 H new ATOM 1371 N ASP A 92 10.296 -15.380 1.603 1.00 0.00 N ATOM 1372 CA ASP A 92 10.053 -15.096 0.193 1.00 0.00 C ATOM 1373 C ASP A 92 10.243 -13.613 -0.116 1.00 0.00 C ATOM 1374 O ASP A 92 10.256 -12.775 0.786 1.00 0.00 O ATOM 1375 CB ASP A 92 8.641 -15.532 -0.199 1.00 0.00 C ATOM 1376 CG ASP A 92 8.370 -16.986 0.137 1.00 0.00 C ATOM 1377 OD1 ASP A 92 8.503 -17.355 1.324 1.00 0.00 O ATOM 1378 OD2 ASP A 92 8.025 -17.755 -0.784 1.00 0.00 O ATOM 0 H ASP A 92 9.868 -14.715 2.247 1.00 0.00 H new ATOM 0 HA ASP A 92 10.780 -15.661 -0.391 1.00 0.00 H new ATOM 0 HB2 ASP A 92 7.914 -14.902 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.500 -15.377 -1.269 1.00 0.00 H new ATOM 1383 N ILE A 93 10.368 -13.301 -1.403 1.00 0.00 N ATOM 1384 CA ILE A 93 10.534 -11.921 -1.850 1.00 0.00 C ATOM 1385 C ILE A 93 9.361 -11.517 -2.735 1.00 0.00 C ATOM 1386 O ILE A 93 8.855 -12.332 -3.507 1.00 0.00 O ATOM 1387 CB ILE A 93 11.848 -11.731 -2.633 1.00 0.00 C ATOM 1388 CG1 ILE A 93 12.030 -12.856 -3.655 1.00 0.00 C ATOM 1389 CG2 ILE A 93 13.031 -11.678 -1.678 1.00 0.00 C ATOM 1390 CD1 ILE A 93 12.544 -12.377 -4.995 1.00 0.00 C ATOM 0 H ILE A 93 10.357 -13.988 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 93 10.569 -11.289 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 93 11.797 -10.784 -3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.723 -13.594 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.075 -13.362 -3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 93 13.951 -11.544 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.905 -10.843 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 93 13.085 -12.609 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.649 -13.227 -5.669 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.840 -11.661 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.514 -11.897 -4.862 1.00 0.00 H new ATOM 1402 N TYR A 94 8.909 -10.272 -2.611 1.00 0.00 N ATOM 1403 CA TYR A 94 7.771 -9.817 -3.402 1.00 0.00 C ATOM 1404 C TYR A 94 7.888 -8.356 -3.821 1.00 0.00 C ATOM 1405 O TYR A 94 8.608 -7.565 -3.213 1.00 0.00 O ATOM 1406 CB TYR A 94 6.474 -10.023 -2.618 1.00 0.00 C ATOM 1407 CG TYR A 94 5.980 -11.452 -2.627 1.00 0.00 C ATOM 1408 CD1 TYR A 94 6.590 -12.423 -1.844 1.00 0.00 C ATOM 1409 CD2 TYR A 94 4.902 -11.828 -3.418 1.00 0.00 C ATOM 1410 CE1 TYR A 94 6.140 -13.730 -1.850 1.00 0.00 C ATOM 1411 CE2 TYR A 94 4.446 -13.133 -3.429 1.00 0.00 C ATOM 1412 CZ TYR A 94 5.069 -14.079 -2.643 1.00 0.00 C ATOM 1413 OH TYR A 94 4.618 -15.379 -2.652 1.00 0.00 O ATOM 0 H TYR A 94 9.305 -9.572 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 94 7.761 -10.415 -4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.629 -9.708 -1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.701 -9.378 -3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.429 -12.153 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.412 -11.089 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 94 6.626 -14.474 -1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.607 -13.410 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 94 3.856 -15.457 -3.263 1.00 0.00 H new ATOM 1423 N THR A 95 7.139 -8.022 -4.868 1.00 0.00 N ATOM 1424 CA THR A 95 7.092 -6.670 -5.409 1.00 0.00 C ATOM 1425 C THR A 95 5.660 -6.343 -5.817 1.00 0.00 C ATOM 1426 O THR A 95 4.978 -7.181 -6.407 1.00 0.00 O ATOM 1427 CB THR A 95 8.028 -6.539 -6.612 1.00 0.00 C ATOM 1428 OG1 THR A 95 9.364 -6.836 -6.243 1.00 0.00 O ATOM 1429 CG2 THR A 95 8.020 -5.158 -7.231 1.00 0.00 C ATOM 0 H THR A 95 6.546 -8.685 -5.366 1.00 0.00 H new ATOM 0 HA THR A 95 7.423 -5.967 -4.645 1.00 0.00 H new ATOM 0 HB THR A 95 7.653 -7.251 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.947 -6.748 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.705 -5.135 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.013 -4.918 -7.572 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.336 -4.425 -6.489 1.00 0.00 H new ATOM 1437 N ARG A 96 5.194 -5.140 -5.504 1.00 0.00 N ATOM 1438 CA ARG A 96 3.833 -4.746 -5.847 1.00 0.00 C ATOM 1439 C ARG A 96 3.825 -3.552 -6.797 1.00 0.00 C ATOM 1440 O ARG A 96 4.587 -2.601 -6.623 1.00 0.00 O ATOM 1441 CB ARG A 96 3.043 -4.409 -4.582 1.00 0.00 C ATOM 1442 CG ARG A 96 2.320 -5.603 -3.979 1.00 0.00 C ATOM 1443 CD ARG A 96 1.470 -5.196 -2.788 1.00 0.00 C ATOM 1444 NE ARG A 96 2.282 -4.932 -1.601 1.00 0.00 N ATOM 1445 CZ ARG A 96 1.787 -4.483 -0.450 1.00 0.00 C ATOM 1446 NH1 ARG A 96 0.486 -4.248 -0.325 1.00 0.00 N ATOM 1447 NH2 ARG A 96 2.594 -4.270 0.580 1.00 0.00 N ATOM 0 H ARG A 96 5.734 -4.425 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 96 3.360 -5.588 -6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.724 -3.994 -3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.314 -3.633 -4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.688 -6.068 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.049 -6.352 -3.668 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.896 -4.305 -3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.752 -5.986 -2.568 1.00 0.00 H new ATOM 0 HE ARG A 96 3.286 -5.102 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.140 -4.412 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.113 -3.904 0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.594 -4.450 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.215 -3.926 1.462 1.00 0.00 H new ATOM 1461 N LEU A 97 2.956 -3.613 -7.800 1.00 0.00 N ATOM 1462 CA LEU A 97 2.839 -2.543 -8.783 1.00 0.00 C ATOM 1463 C LEU A 97 1.382 -2.323 -9.175 1.00 0.00 C ATOM 1464 O LEU A 97 0.713 -3.237 -9.659 1.00 0.00 O ATOM 1465 CB LEU A 97 3.670 -2.870 -10.025 1.00 0.00 C ATOM 1466 CG LEU A 97 3.591 -1.834 -11.148 1.00 0.00 C ATOM 1467 CD1 LEU A 97 4.922 -1.734 -11.878 1.00 0.00 C ATOM 1468 CD2 LEU A 97 2.474 -2.187 -12.120 1.00 0.00 C ATOM 0 H LEU A 97 2.320 -4.396 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 97 3.218 -1.626 -8.332 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.713 -2.982 -9.727 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.346 -3.834 -10.417 1.00 0.00 H new ATOM 0 HG LEU A 97 3.369 -0.863 -10.705 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.846 -0.992 -12.673 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.700 -1.435 -11.176 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.174 -2.703 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.432 -1.440 -12.913 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.667 -3.167 -12.556 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.522 -2.207 -11.589 1.00 0.00 H new ATOM 1480 N GLY A 98 0.895 -1.107 -8.958 1.00 0.00 N ATOM 1481 CA GLY A 98 -0.481 -0.785 -9.291 1.00 0.00 C ATOM 1482 C GLY A 98 -0.733 0.709 -9.309 1.00 0.00 C ATOM 1483 O GLY A 98 0.141 1.492 -9.679 1.00 0.00 O ATOM 0 H GLY A 98 1.429 -0.336 -8.557 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.724 -1.204 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.147 -1.255 -8.568 1.00 0.00 H new ATOM 1487 N GLY A 99 -1.941 1.101 -8.913 1.00 0.00 N ATOM 1488 CA GLY A 99 -2.293 2.507 -8.899 1.00 0.00 C ATOM 1489 C GLY A 99 -3.275 2.866 -7.799 1.00 0.00 C ATOM 1490 O GLY A 99 -4.025 2.016 -7.317 1.00 0.00 O ATOM 0 H GLY A 99 -2.680 0.470 -8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.387 3.101 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.723 2.777 -9.864 1.00 0.00 H new ATOM 1494 N MET A 100 -3.263 4.136 -7.408 1.00 0.00 N ATOM 1495 CA MET A 100 -4.151 4.628 -6.362 1.00 0.00 C ATOM 1496 C MET A 100 -5.330 5.387 -6.963 1.00 0.00 C ATOM 1497 O MET A 100 -5.264 5.855 -8.099 1.00 0.00 O ATOM 1498 CB MET A 100 -3.382 5.532 -5.395 1.00 0.00 C ATOM 1499 CG MET A 100 -3.705 5.271 -3.933 1.00 0.00 C ATOM 1500 SD MET A 100 -3.525 6.745 -2.909 1.00 0.00 S ATOM 1501 CE MET A 100 -3.232 6.008 -1.303 1.00 0.00 C ATOM 0 H MET A 100 -2.645 4.846 -7.802 1.00 0.00 H new ATOM 0 HA MET A 100 -4.538 3.770 -5.813 1.00 0.00 H new ATOM 0 HB2 MET A 100 -2.313 5.393 -5.553 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.606 6.573 -5.628 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.726 4.899 -3.851 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.049 4.487 -3.554 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.100 6.795 -0.560 1.00 0.00 H new ATOM 0 HE2 MET A 100 -4.084 5.387 -1.027 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.333 5.393 -1.343 1.00 0.00 H new ATOM 1842 N PHE A 123 4.466 1.542 -6.881 1.00 0.00 N ATOM 1843 CA PHE A 123 5.413 0.432 -6.889 1.00 0.00 C ATOM 1844 C PHE A 123 5.832 0.071 -5.467 1.00 0.00 C ATOM 1845 O PHE A 123 5.751 0.896 -4.558 1.00 0.00 O ATOM 1846 CB PHE A 123 6.644 0.791 -7.722 1.00 0.00 C ATOM 1847 CG PHE A 123 7.578 -0.365 -7.942 1.00 0.00 C ATOM 1848 CD1 PHE A 123 8.518 -0.707 -6.983 1.00 0.00 C ATOM 1849 CD2 PHE A 123 7.514 -1.111 -9.109 1.00 0.00 C ATOM 1850 CE1 PHE A 123 9.377 -1.771 -7.182 1.00 0.00 C ATOM 1851 CE2 PHE A 123 8.371 -2.176 -9.314 1.00 0.00 C ATOM 1852 CZ PHE A 123 9.304 -2.506 -8.350 1.00 0.00 C ATOM 0 HA PHE A 123 4.922 -0.432 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.319 1.174 -8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.186 1.596 -7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.580 -0.135 -6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 123 6.787 -0.857 -9.866 1.00 0.00 H new ATOM 0 HE1 PHE A 123 10.104 -2.028 -6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 123 8.311 -2.750 -10.227 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.975 -3.337 -8.509 1.00 0.00 H new ATOM 1862 N ALA A 124 6.279 -1.168 -5.283 1.00 0.00 N ATOM 1863 CA ALA A 124 6.708 -1.633 -3.970 1.00 0.00 C ATOM 1864 C ALA A 124 7.644 -2.832 -4.085 1.00 0.00 C ATOM 1865 O ALA A 124 7.520 -3.644 -5.003 1.00 0.00 O ATOM 1866 CB ALA A 124 5.500 -1.985 -3.115 1.00 0.00 C ATOM 0 H ALA A 124 6.353 -1.865 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 124 7.258 -0.824 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 124 5.835 -2.331 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 124 4.872 -1.103 -2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 124 4.927 -2.774 -3.602 1.00 0.00 H new ATOM 1872 N GLY A 125 8.577 -2.938 -3.145 1.00 0.00 N ATOM 1873 CA GLY A 125 9.520 -4.041 -3.151 1.00 0.00 C ATOM 1874 C GLY A 125 9.935 -4.445 -1.750 1.00 0.00 C ATOM 1875 O GLY A 125 10.146 -3.588 -0.893 1.00 0.00 O ATOM 0 H GLY A 125 8.697 -2.278 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 125 9.073 -4.897 -3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 125 10.404 -3.759 -3.723 1.00 0.00 H new ATOM 1879 N GLY A 126 10.057 -5.746 -1.510 1.00 0.00 N ATOM 1880 CA GLY A 126 10.453 -6.207 -0.192 1.00 0.00 C ATOM 1881 C GLY A 126 10.437 -7.714 -0.055 1.00 0.00 C ATOM 1882 O GLY A 126 10.628 -8.441 -1.031 1.00 0.00 O ATOM 0 H GLY A 126 9.891 -6.483 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 126 11.456 -5.840 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.785 -5.774 0.553 1.00 0.00 H new ATOM 1886 N VAL A 127 10.209 -8.183 1.168 1.00 0.00 N ATOM 1887 CA VAL A 127 10.172 -9.612 1.443 1.00 0.00 C ATOM 1888 C VAL A 127 9.063 -9.959 2.431 1.00 0.00 C ATOM 1889 O VAL A 127 8.712 -9.160 3.301 1.00 0.00 O ATOM 1890 CB VAL A 127 11.516 -10.111 2.005 1.00 0.00 C ATOM 1891 CG1 VAL A 127 12.616 -9.967 0.965 1.00 0.00 C ATOM 1892 CG2 VAL A 127 11.874 -9.358 3.278 1.00 0.00 C ATOM 0 H VAL A 127 10.047 -7.592 1.984 1.00 0.00 H new ATOM 0 HA VAL A 127 9.975 -10.108 0.493 1.00 0.00 H new ATOM 0 HB VAL A 127 11.417 -11.168 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 127 13.558 -10.325 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 127 12.362 -10.555 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 127 12.717 -8.918 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 127 12.827 -9.724 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 127 11.955 -8.293 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 127 11.097 -9.517 4.026 1.00 0.00 H new ATOM 1902 N GLU A 128 8.521 -11.163 2.284 1.00 0.00 N ATOM 1903 CA GLU A 128 7.455 -11.638 3.155 1.00 0.00 C ATOM 1904 C GLU A 128 7.833 -12.973 3.788 1.00 0.00 C ATOM 1905 O GLU A 128 8.300 -13.886 3.106 1.00 0.00 O ATOM 1906 CB GLU A 128 6.150 -11.783 2.370 1.00 0.00 C ATOM 1907 CG GLU A 128 4.969 -12.209 3.226 1.00 0.00 C ATOM 1908 CD GLU A 128 3.733 -12.516 2.402 1.00 0.00 C ATOM 1909 OE1 GLU A 128 3.884 -12.862 1.211 1.00 0.00 O ATOM 1910 OE2 GLU A 128 2.614 -12.408 2.947 1.00 0.00 O ATOM 0 H GLU A 128 8.805 -11.830 1.566 1.00 0.00 H new ATOM 0 HA GLU A 128 7.311 -10.904 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.916 -10.832 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.294 -12.514 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.244 -13.091 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.738 -11.418 3.940 1.00 0.00 H new ATOM 1917 N TYR A 129 7.639 -13.073 5.099 1.00 0.00 N ATOM 1918 CA TYR A 129 7.968 -14.290 5.829 1.00 0.00 C ATOM 1919 C TYR A 129 6.768 -14.801 6.619 1.00 0.00 C ATOM 1920 O TYR A 129 5.958 -14.017 7.116 1.00 0.00 O ATOM 1921 CB TYR A 129 9.145 -14.039 6.774 1.00 0.00 C ATOM 1922 CG TYR A 129 9.596 -15.272 7.523 1.00 0.00 C ATOM 1923 CD1 TYR A 129 8.935 -15.691 8.671 1.00 0.00 C ATOM 1924 CD2 TYR A 129 10.683 -16.017 7.083 1.00 0.00 C ATOM 1925 CE1 TYR A 129 9.345 -16.817 9.359 1.00 0.00 C ATOM 1926 CE2 TYR A 129 11.098 -17.145 7.765 1.00 0.00 C ATOM 1927 CZ TYR A 129 10.427 -17.540 8.902 1.00 0.00 C ATOM 1928 OH TYR A 129 10.837 -18.662 9.585 1.00 0.00 O ATOM 0 H TYR A 129 7.255 -12.325 5.677 1.00 0.00 H new ATOM 0 HA TYR A 129 8.247 -15.052 5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.984 -13.647 6.199 1.00 0.00 H new ATOM 0 HB3 TYR A 129 8.864 -13.270 7.494 1.00 0.00 H new ATOM 0 HD1 TYR A 129 8.087 -15.128 9.031 1.00 0.00 H new ATOM 0 HD2 TYR A 129 11.212 -15.710 6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 129 8.821 -17.129 10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 129 11.944 -17.714 7.409 1.00 0.00 H new ATOM 0 HH TYR A 129 11.611 -19.056 9.132 1.00 0.00 H new ATOM 1938 N ALA A 130 6.663 -16.121 6.733 1.00 0.00 N ATOM 1939 CA ALA A 130 5.567 -16.741 7.465 1.00 0.00 C ATOM 1940 C ALA A 130 5.997 -17.109 8.881 1.00 0.00 C ATOM 1941 O ALA A 130 6.866 -17.960 9.075 1.00 0.00 O ATOM 1942 CB ALA A 130 5.069 -17.974 6.726 1.00 0.00 C ATOM 0 H ALA A 130 7.325 -16.782 6.327 1.00 0.00 H new ATOM 0 HA ALA A 130 4.753 -16.020 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 130 4.250 -18.427 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.717 -17.687 5.735 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.883 -18.693 6.628 1.00 0.00 H new ATOM 1948 N ILE A 131 5.382 -16.470 9.869 1.00 0.00 N ATOM 1949 CA ILE A 131 5.698 -16.739 11.267 1.00 0.00 C ATOM 1950 C ILE A 131 4.835 -17.879 11.802 1.00 0.00 C ATOM 1951 O ILE A 131 5.284 -18.684 12.617 1.00 0.00 O ATOM 1952 CB ILE A 131 5.493 -15.485 12.142 1.00 0.00 C ATOM 1953 CG1 ILE A 131 5.840 -15.786 13.603 1.00 0.00 C ATOM 1954 CG2 ILE A 131 4.063 -14.981 12.024 1.00 0.00 C ATOM 1955 CD1 ILE A 131 6.531 -14.639 14.308 1.00 0.00 C ATOM 0 H ILE A 131 4.662 -15.762 9.728 1.00 0.00 H new ATOM 0 HA ILE A 131 6.748 -17.027 11.314 1.00 0.00 H new ATOM 0 HB ILE A 131 6.163 -14.703 11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 131 4.926 -16.035 14.141 1.00 0.00 H new ATOM 0 HG13 ILE A 131 6.482 -16.666 13.642 1.00 0.00 H new ATOM 0 HG21 ILE A 131 3.936 -14.096 12.648 1.00 0.00 H new ATOM 0 HG22 ILE A 131 3.852 -14.726 10.986 1.00 0.00 H new ATOM 0 HG23 ILE A 131 3.375 -15.759 12.354 1.00 0.00 H new ATOM 0 HD11 ILE A 131 6.747 -14.922 15.338 1.00 0.00 H new ATOM 0 HD12 ILE A 131 7.463 -14.404 13.793 1.00 0.00 H new ATOM 0 HD13 ILE A 131 5.882 -13.763 14.301 1.00 0.00 H new ATOM 1967 N THR A 132 3.595 -17.941 11.327 1.00 0.00 N ATOM 1968 CA THR A 132 2.663 -18.982 11.744 1.00 0.00 C ATOM 1969 C THR A 132 1.671 -19.290 10.623 1.00 0.00 C ATOM 1970 O THR A 132 1.644 -18.602 9.603 1.00 0.00 O ATOM 1971 CB THR A 132 1.917 -18.558 13.014 1.00 0.00 C ATOM 1972 OG1 THR A 132 2.398 -17.315 13.491 1.00 0.00 O ATOM 1973 CG2 THR A 132 2.044 -19.559 14.143 1.00 0.00 C ATOM 0 H THR A 132 3.212 -17.280 10.651 1.00 0.00 H new ATOM 0 HA THR A 132 3.232 -19.886 11.963 1.00 0.00 H new ATOM 0 HB THR A 132 0.869 -18.489 12.722 1.00 0.00 H new ATOM 0 HG1 THR A 132 2.301 -17.279 14.465 1.00 0.00 H new ATOM 0 HG21 THR A 132 1.493 -19.199 15.012 1.00 0.00 H new ATOM 0 HG22 THR A 132 1.635 -20.518 13.826 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.095 -19.681 14.404 1.00 0.00 H new ATOM 1981 N PRO A 133 0.844 -20.336 10.792 1.00 0.00 N ATOM 1982 CA PRO A 133 -0.144 -20.730 9.782 1.00 0.00 C ATOM 1983 C PRO A 133 -1.046 -19.572 9.365 1.00 0.00 C ATOM 1984 O PRO A 133 -1.132 -19.235 8.186 1.00 0.00 O ATOM 1985 CB PRO A 133 -0.959 -21.818 10.487 1.00 0.00 C ATOM 1986 CG PRO A 133 -0.038 -22.373 11.516 1.00 0.00 C ATOM 1987 CD PRO A 133 0.807 -21.218 11.974 1.00 0.00 C ATOM 0 HA PRO A 133 0.330 -21.064 8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.859 -21.406 10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.280 -22.589 9.786 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -0.595 -22.804 12.348 1.00 0.00 H new ATOM 0 HG3 PRO A 133 0.580 -23.169 11.100 1.00 0.00 H new ATOM 0 HD2 PRO A 133 0.369 -20.716 12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 133 1.806 -21.541 12.266 1.00 0.00 H new ATOM 1995 N GLU A 134 -1.725 -18.975 10.339 1.00 0.00 N ATOM 1996 CA GLU A 134 -2.630 -17.864 10.067 1.00 0.00 C ATOM 1997 C GLU A 134 -2.005 -16.527 10.450 1.00 0.00 C ATOM 1998 O GLU A 134 -2.707 -15.599 10.854 1.00 0.00 O ATOM 1999 CB GLU A 134 -3.946 -18.058 10.824 1.00 0.00 C ATOM 2000 CG GLU A 134 -5.166 -17.588 10.050 1.00 0.00 C ATOM 2001 CD GLU A 134 -6.347 -18.527 10.197 1.00 0.00 C ATOM 2002 OE1 GLU A 134 -6.953 -18.554 11.290 1.00 0.00 O ATOM 2003 OE2 GLU A 134 -6.666 -19.237 9.221 1.00 0.00 O ATOM 0 H GLU A 134 -1.666 -19.241 11.322 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.826 -17.851 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.064 -19.114 11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.895 -17.518 11.769 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -5.451 -16.595 10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.909 -17.496 8.995 1.00 0.00 H new ATOM 2010 N ILE A 135 -0.685 -16.428 10.326 1.00 0.00 N ATOM 2011 CA ILE A 135 0.016 -15.195 10.670 1.00 0.00 C ATOM 2012 C ILE A 135 1.264 -14.997 9.815 1.00 0.00 C ATOM 2013 O ILE A 135 2.224 -15.762 9.907 1.00 0.00 O ATOM 2014 CB ILE A 135 0.421 -15.173 12.155 1.00 0.00 C ATOM 2015 CG1 ILE A 135 -0.758 -15.590 13.037 1.00 0.00 C ATOM 2016 CG2 ILE A 135 0.922 -13.792 12.547 1.00 0.00 C ATOM 2017 CD1 ILE A 135 -0.436 -15.594 14.515 1.00 0.00 C ATOM 0 H ILE A 135 -0.083 -17.181 9.992 1.00 0.00 H new ATOM 0 HA ILE A 135 -0.682 -14.381 10.474 1.00 0.00 H new ATOM 0 HB ILE A 135 1.230 -15.887 12.305 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -1.593 -14.913 12.857 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.087 -16.587 12.742 1.00 0.00 H new ATOM 0 HG21 ILE A 135 1.204 -13.793 13.600 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.789 -13.533 11.939 1.00 0.00 H new ATOM 0 HG23 ILE A 135 0.132 -13.059 12.384 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.318 -15.899 15.079 1.00 0.00 H new ATOM 0 HD12 ILE A 135 0.378 -16.293 14.708 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -0.136 -14.593 14.825 1.00 0.00 H new ATOM 2029 N ALA A 136 1.240 -13.958 8.986 1.00 0.00 N ATOM 2030 CA ALA A 136 2.366 -13.646 8.113 1.00 0.00 C ATOM 2031 C ALA A 136 2.773 -12.182 8.251 1.00 0.00 C ATOM 2032 O ALA A 136 1.956 -11.334 8.609 1.00 0.00 O ATOM 2033 CB ALA A 136 2.017 -13.965 6.667 1.00 0.00 C ATOM 0 H ALA A 136 0.451 -13.317 8.901 1.00 0.00 H new ATOM 0 HA ALA A 136 3.212 -14.263 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 136 2.866 -13.727 6.027 1.00 0.00 H new ATOM 0 HB2 ALA A 136 1.779 -15.025 6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 136 1.155 -13.372 6.361 1.00 0.00 H new ATOM 2039 N THR A 137 4.037 -11.890 7.959 1.00 0.00 N ATOM 2040 CA THR A 137 4.543 -10.525 8.048 1.00 0.00 C ATOM 2041 C THR A 137 5.254 -10.136 6.756 1.00 0.00 C ATOM 2042 O THR A 137 5.955 -10.951 6.157 1.00 0.00 O ATOM 2043 CB THR A 137 5.498 -10.386 9.234 1.00 0.00 C ATOM 2044 OG1 THR A 137 6.482 -11.405 9.207 1.00 0.00 O ATOM 2045 CG2 THR A 137 4.801 -10.457 10.575 1.00 0.00 C ATOM 0 H THR A 137 4.728 -12.578 7.660 1.00 0.00 H new ATOM 0 HA THR A 137 3.697 -9.854 8.199 1.00 0.00 H new ATOM 0 HB THR A 137 5.948 -9.399 9.128 1.00 0.00 H new ATOM 0 HG1 THR A 137 7.084 -11.298 9.973 1.00 0.00 H new ATOM 0 HG21 THR A 137 5.536 -10.352 11.373 1.00 0.00 H new ATOM 0 HG22 THR A 137 4.069 -9.653 10.647 1.00 0.00 H new ATOM 0 HG23 THR A 137 4.295 -11.418 10.672 1.00 0.00 H new ATOM 2053 N ARG A 138 5.062 -8.895 6.320 1.00 0.00 N ATOM 2054 CA ARG A 138 5.685 -8.427 5.087 1.00 0.00 C ATOM 2055 C ARG A 138 6.250 -7.018 5.233 1.00 0.00 C ATOM 2056 O ARG A 138 5.596 -6.122 5.767 1.00 0.00 O ATOM 2057 CB ARG A 138 4.671 -8.461 3.943 1.00 0.00 C ATOM 2058 CG ARG A 138 5.252 -8.044 2.601 1.00 0.00 C ATOM 2059 CD ARG A 138 4.158 -7.692 1.605 1.00 0.00 C ATOM 2060 NE ARG A 138 3.932 -8.764 0.638 1.00 0.00 N ATOM 2061 CZ ARG A 138 3.157 -9.822 0.869 1.00 0.00 C ATOM 2062 NH1 ARG A 138 2.531 -9.956 2.032 1.00 0.00 N ATOM 2063 NH2 ARG A 138 3.007 -10.750 -0.067 1.00 0.00 N ATOM 0 H ARG A 138 4.486 -8.201 6.797 1.00 0.00 H new ATOM 0 HA ARG A 138 6.515 -9.097 4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 138 4.267 -9.470 3.857 1.00 0.00 H new ATOM 0 HB3 ARG A 138 3.837 -7.803 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 138 5.910 -7.186 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 138 5.863 -8.853 2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 138 3.232 -7.487 2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.429 -6.778 1.076 1.00 0.00 H new ATOM 0 HE ARG A 138 4.396 -8.698 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 138 2.642 -9.246 2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 138 1.939 -10.769 2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 138 3.485 -10.653 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 138 2.414 -11.561 0.109 1.00 0.00 H new ATOM 2077 N LEU A 139 7.468 -6.832 4.733 1.00 0.00 N ATOM 2078 CA LEU A 139 8.137 -5.536 4.776 1.00 0.00 C ATOM 2079 C LEU A 139 8.553 -5.133 3.366 1.00 0.00 C ATOM 2080 O LEU A 139 9.120 -5.941 2.632 1.00 0.00 O ATOM 2081 CB LEU A 139 9.361 -5.595 5.692 1.00 0.00 C ATOM 2082 CG LEU A 139 10.213 -4.323 5.723 1.00 0.00 C ATOM 2083 CD1 LEU A 139 9.809 -3.439 6.893 1.00 0.00 C ATOM 2084 CD2 LEU A 139 11.692 -4.673 5.801 1.00 0.00 C ATOM 0 H LEU A 139 8.016 -7.570 4.290 1.00 0.00 H new ATOM 0 HA LEU A 139 7.447 -4.792 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 139 9.026 -5.814 6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 139 9.991 -6.427 5.378 1.00 0.00 H new ATOM 0 HG LEU A 139 10.040 -3.770 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 139 10.425 -2.540 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 139 8.760 -3.160 6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 139 9.952 -3.983 7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 139 12.282 -3.757 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 139 11.882 -5.248 6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 139 11.972 -5.265 4.930 1.00 0.00 H new ATOM 2096 N GLU A 140 8.263 -3.893 2.978 1.00 0.00 N ATOM 2097 CA GLU A 140 8.614 -3.436 1.638 1.00 0.00 C ATOM 2098 C GLU A 140 8.900 -1.941 1.605 1.00 0.00 C ATOM 2099 O GLU A 140 8.579 -1.209 2.540 1.00 0.00 O ATOM 2100 CB GLU A 140 7.487 -3.767 0.657 1.00 0.00 C ATOM 2101 CG GLU A 140 6.969 -5.190 0.782 1.00 0.00 C ATOM 2102 CD GLU A 140 6.080 -5.590 -0.379 1.00 0.00 C ATOM 2103 OE1 GLU A 140 4.908 -5.158 -0.407 1.00 0.00 O ATOM 2104 OE2 GLU A 140 6.555 -6.336 -1.263 1.00 0.00 O ATOM 0 H GLU A 140 7.795 -3.199 3.561 1.00 0.00 H new ATOM 0 HA GLU A 140 9.524 -3.958 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 140 6.662 -3.074 0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 140 7.844 -3.607 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 140 7.814 -5.876 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 140 6.411 -5.289 1.713 1.00 0.00 H new ATOM 2111 N TYR A 141 9.509 -1.502 0.509 1.00 0.00 N ATOM 2112 CA TYR A 141 9.849 -0.099 0.328 1.00 0.00 C ATOM 2113 C TYR A 141 9.362 0.410 -1.025 1.00 0.00 C ATOM 2114 O TYR A 141 9.055 -0.376 -1.921 1.00 0.00 O ATOM 2115 CB TYR A 141 11.362 0.098 0.445 1.00 0.00 C ATOM 2116 CG TYR A 141 12.166 -0.851 -0.415 1.00 0.00 C ATOM 2117 CD1 TYR A 141 12.186 -0.719 -1.797 1.00 0.00 C ATOM 2118 CD2 TYR A 141 12.904 -1.880 0.158 1.00 0.00 C ATOM 2119 CE1 TYR A 141 12.919 -1.585 -2.586 1.00 0.00 C ATOM 2120 CE2 TYR A 141 13.639 -2.750 -0.625 1.00 0.00 C ATOM 2121 CZ TYR A 141 13.644 -2.599 -1.995 1.00 0.00 C ATOM 2122 OH TYR A 141 14.375 -3.463 -2.778 1.00 0.00 O ATOM 0 H TYR A 141 9.778 -2.103 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 141 9.352 0.474 1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 141 11.609 1.123 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 141 11.657 -0.031 1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 141 11.619 0.074 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 141 12.903 -2.002 1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 141 12.924 -1.469 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A 141 14.207 -3.545 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 141 14.828 -4.118 -2.207 1.00 0.00 H new ATOM 2419 N LEU A 162 9.681 3.330 3.406 1.00 0.00 N ATOM 2420 CA LEU A 162 9.879 2.118 4.199 1.00 0.00 C ATOM 2421 C LEU A 162 8.583 1.737 4.907 1.00 0.00 C ATOM 2422 O LEU A 162 8.069 2.500 5.723 1.00 0.00 O ATOM 2423 CB LEU A 162 10.996 2.326 5.224 1.00 0.00 C ATOM 2424 CG LEU A 162 11.866 1.098 5.492 1.00 0.00 C ATOM 2425 CD1 LEU A 162 13.031 1.045 4.515 1.00 0.00 C ATOM 2426 CD2 LEU A 162 12.373 1.107 6.926 1.00 0.00 C ATOM 0 HA LEU A 162 10.168 1.308 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 162 11.637 3.138 4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 162 10.550 2.648 6.165 1.00 0.00 H new ATOM 0 HG LEU A 162 11.256 0.206 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 162 13.639 0.164 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 162 12.649 0.992 3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 162 13.641 1.941 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 162 12.991 0.226 7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 162 12.967 2.005 7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 162 11.526 1.097 7.612 1.00 0.00 H new ATOM 2438 N SER A 163 8.045 0.559 4.586 1.00 0.00 N ATOM 2439 CA SER A 163 6.798 0.109 5.196 1.00 0.00 C ATOM 2440 C SER A 163 6.911 -1.310 5.740 1.00 0.00 C ATOM 2441 O SER A 163 7.698 -2.122 5.249 1.00 0.00 O ATOM 2442 CB SER A 163 5.658 0.185 4.179 1.00 0.00 C ATOM 2443 OG SER A 163 5.885 -0.696 3.092 1.00 0.00 O ATOM 0 H SER A 163 8.450 -0.093 3.914 1.00 0.00 H new ATOM 0 HA SER A 163 6.586 0.772 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 163 4.715 -0.067 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 163 5.563 1.206 3.810 1.00 0.00 H new ATOM 0 HG SER A 163 6.849 -0.819 2.967 1.00 0.00 H new ATOM 2449 N LEU A 164 6.099 -1.597 6.752 1.00 0.00 N ATOM 2450 CA LEU A 164 6.066 -2.913 7.379 1.00 0.00 C ATOM 2451 C LEU A 164 4.638 -3.255 7.793 1.00 0.00 C ATOM 2452 O LEU A 164 3.999 -2.506 8.535 1.00 0.00 O ATOM 2453 CB LEU A 164 6.989 -2.947 8.599 1.00 0.00 C ATOM 2454 CG LEU A 164 7.567 -4.322 8.935 1.00 0.00 C ATOM 2455 CD1 LEU A 164 8.728 -4.189 9.909 1.00 0.00 C ATOM 2456 CD2 LEU A 164 6.488 -5.227 9.510 1.00 0.00 C ATOM 0 H LEU A 164 5.447 -0.926 7.159 1.00 0.00 H new ATOM 0 HA LEU A 164 6.416 -3.653 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 164 7.814 -2.254 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 164 6.436 -2.581 9.464 1.00 0.00 H new ATOM 0 HG LEU A 164 7.940 -4.773 8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 164 9.127 -5.177 10.137 1.00 0.00 H new ATOM 0 HD12 LEU A 164 9.510 -3.576 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 164 8.380 -3.718 10.828 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.917 -6.202 9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 164 6.085 -4.781 10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.688 -5.348 8.780 1.00 0.00 H new ATOM 2468 N GLY A 165 4.134 -4.380 7.297 1.00 0.00 N ATOM 2469 CA GLY A 165 2.779 -4.781 7.623 1.00 0.00 C ATOM 2470 C GLY A 165 2.619 -6.279 7.788 1.00 0.00 C ATOM 2471 O GLY A 165 3.426 -7.061 7.284 1.00 0.00 O ATOM 0 H GLY A 165 4.636 -5.017 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 165 2.473 -4.286 8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 165 2.107 -4.435 6.838 1.00 0.00 H new ATOM 2475 N VAL A 166 1.558 -6.675 8.485 1.00 0.00 N ATOM 2476 CA VAL A 166 1.274 -8.087 8.706 1.00 0.00 C ATOM 2477 C VAL A 166 0.140 -8.542 7.796 1.00 0.00 C ATOM 2478 O VAL A 166 -0.760 -7.762 7.483 1.00 0.00 O ATOM 2479 CB VAL A 166 0.888 -8.365 10.171 1.00 0.00 C ATOM 2480 CG1 VAL A 166 2.071 -8.110 11.093 1.00 0.00 C ATOM 2481 CG2 VAL A 166 -0.307 -7.516 10.579 1.00 0.00 C ATOM 0 H VAL A 166 0.882 -6.038 8.906 1.00 0.00 H new ATOM 0 HA VAL A 166 2.183 -8.643 8.476 1.00 0.00 H new ATOM 0 HB VAL A 166 0.607 -9.414 10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 166 1.779 -8.312 12.124 1.00 0.00 H new ATOM 0 HG12 VAL A 166 2.897 -8.765 10.815 1.00 0.00 H new ATOM 0 HG13 VAL A 166 2.386 -7.070 11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 166 -0.565 -7.726 11.617 1.00 0.00 H new ATOM 0 HG22 VAL A 166 -0.056 -6.460 10.474 1.00 0.00 H new ATOM 0 HG23 VAL A 166 -1.157 -7.752 9.939 1.00 0.00 H new ATOM 2491 N SER A 167 0.188 -9.798 7.361 1.00 0.00 N ATOM 2492 CA SER A 167 -0.841 -10.327 6.474 1.00 0.00 C ATOM 2493 C SER A 167 -1.309 -11.712 6.912 1.00 0.00 C ATOM 2494 O SER A 167 -0.528 -12.515 7.424 1.00 0.00 O ATOM 2495 CB SER A 167 -0.318 -10.389 5.038 1.00 0.00 C ATOM 2496 OG SER A 167 0.831 -11.212 4.948 1.00 0.00 O ATOM 0 H SER A 167 0.922 -10.463 7.606 1.00 0.00 H new ATOM 0 HA SER A 167 -1.696 -9.652 6.524 1.00 0.00 H new ATOM 0 HB2 SER A 167 -1.097 -10.774 4.380 1.00 0.00 H new ATOM 0 HB3 SER A 167 -0.077 -9.384 4.692 1.00 0.00 H new ATOM 0 HG SER A 167 1.086 -11.317 4.007 1.00 0.00 H new ATOM 2502 N TYR A 168 -2.594 -11.976 6.703 1.00 0.00 N ATOM 2503 CA TYR A 168 -3.186 -13.257 7.068 1.00 0.00 C ATOM 2504 C TYR A 168 -3.590 -14.038 5.822 1.00 0.00 C ATOM 2505 O TYR A 168 -4.228 -13.500 4.916 1.00 0.00 O ATOM 2506 CB TYR A 168 -4.404 -13.043 7.967 1.00 0.00 C ATOM 2507 CG TYR A 168 -4.087 -12.322 9.258 1.00 0.00 C ATOM 2508 CD1 TYR A 168 -2.967 -12.662 10.007 1.00 0.00 C ATOM 2509 CD2 TYR A 168 -4.906 -11.303 9.728 1.00 0.00 C ATOM 2510 CE1 TYR A 168 -2.673 -12.006 11.187 1.00 0.00 C ATOM 2511 CE2 TYR A 168 -4.618 -10.642 10.906 1.00 0.00 C ATOM 2512 CZ TYR A 168 -3.501 -10.998 11.632 1.00 0.00 C ATOM 2513 OH TYR A 168 -3.211 -10.342 12.807 1.00 0.00 O ATOM 0 H TYR A 168 -3.248 -11.317 6.281 1.00 0.00 H new ATOM 0 HA TYR A 168 -2.440 -13.834 7.614 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -5.154 -12.474 7.418 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -4.847 -14.011 8.201 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -2.316 -13.451 9.661 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -5.783 -11.023 9.163 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -1.799 -12.282 11.758 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -5.264 -9.851 11.257 1.00 0.00 H new ATOM 0 HH TYR A 168 -3.893 -9.659 12.977 1.00 0.00 H new ATOM 2523 N ARG A 169 -3.209 -15.310 5.785 1.00 0.00 N ATOM 2524 CA ARG A 169 -3.524 -16.174 4.653 1.00 0.00 C ATOM 2525 C ARG A 169 -4.584 -17.205 5.030 1.00 0.00 C ATOM 2526 O ARG A 169 -4.358 -18.058 5.889 1.00 0.00 O ATOM 2527 CB ARG A 169 -2.262 -16.883 4.158 1.00 0.00 C ATOM 2528 CG ARG A 169 -1.492 -16.093 3.112 1.00 0.00 C ATOM 2529 CD ARG A 169 -0.329 -15.330 3.729 1.00 0.00 C ATOM 2530 NE ARG A 169 0.927 -15.587 3.027 1.00 0.00 N ATOM 2531 CZ ARG A 169 1.634 -16.706 3.159 1.00 0.00 C ATOM 2532 NH1 ARG A 169 1.212 -17.676 3.961 1.00 0.00 N ATOM 2533 NH2 ARG A 169 2.766 -16.858 2.485 1.00 0.00 N ATOM 0 H ARG A 169 -2.680 -15.767 6.528 1.00 0.00 H new ATOM 0 HA ARG A 169 -3.920 -15.549 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -1.608 -17.079 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -2.539 -17.851 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -1.117 -16.772 2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -2.165 -15.393 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -0.544 -14.262 3.708 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -0.224 -15.614 4.776 1.00 0.00 H new ATOM 0 HE ARG A 169 1.282 -14.866 2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 169 0.341 -17.566 4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 169 1.759 -18.532 4.058 1.00 0.00 H new ATOM 0 HH21 ARG A 169 3.094 -16.117 1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 169 3.308 -17.716 2.586 1.00 0.00 H new ATOM 2547 N PHE A 170 -5.741 -17.119 4.381 1.00 0.00 N ATOM 2548 CA PHE A 170 -6.837 -18.043 4.648 1.00 0.00 C ATOM 2549 C PHE A 170 -7.031 -19.008 3.483 1.00 0.00 C ATOM 2550 O PHE A 170 -7.042 -18.601 2.321 1.00 0.00 O ATOM 2551 CB PHE A 170 -8.132 -17.271 4.907 1.00 0.00 C ATOM 2552 CG PHE A 170 -8.314 -16.870 6.343 1.00 0.00 C ATOM 2553 CD1 PHE A 170 -8.515 -17.829 7.323 1.00 0.00 C ATOM 2554 CD2 PHE A 170 -8.286 -15.535 6.712 1.00 0.00 C ATOM 2555 CE1 PHE A 170 -8.683 -17.464 8.645 1.00 0.00 C ATOM 2556 CE2 PHE A 170 -8.453 -15.164 8.033 1.00 0.00 C ATOM 2557 CZ PHE A 170 -8.652 -16.129 9.001 1.00 0.00 C ATOM 0 H PHE A 170 -5.943 -16.419 3.667 1.00 0.00 H new ATOM 0 HA PHE A 170 -6.583 -18.621 5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 170 -8.143 -16.377 4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 170 -8.979 -17.884 4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 170 -8.541 -18.874 7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 170 -8.132 -14.776 5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 170 -8.838 -18.221 9.399 1.00 0.00 H new ATOM 0 HE2 PHE A 170 -8.428 -14.120 8.308 1.00 0.00 H new ATOM 0 HZ PHE A 170 -8.783 -15.841 10.034 1.00 0.00 H new