USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 295 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0461 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.028) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 9 -15.376 -6.178 -11.454 1.00 22.12 N ATOM 125 CA ARG A 9 -14.863 -7.543 -11.469 1.00 22.42 C ATOM 126 C ARG A 9 -16.004 -8.554 -11.379 1.00 2.52 C ATOM 127 O ARG A 9 -16.970 -8.349 -10.645 1.00 54.31 O ATOM 128 CB ARG A 9 -13.885 -7.757 -10.312 1.00 55.33 C ATOM 129 CG ARG A 9 -12.808 -6.689 -10.220 1.00 21.03 C ATOM 130 CD ARG A 9 -11.775 -6.844 -11.325 1.00 21.42 C ATOM 131 NE ARG A 9 -12.003 -5.910 -12.423 1.00 73.15 N ATOM 132 CZ ARG A 9 -11.786 -4.603 -12.334 1.00 61.01 C ATOM 133 NH1 ARG A 9 -11.335 -4.079 -11.202 1.00 62.31 N ATOM 134 NH2 ARG A 9 -12.018 -3.817 -13.377 1.00 43.23 N ATOM 0 HA ARG A 9 -14.338 -7.696 -12.412 1.00 22.42 H new ATOM 0 HB2 ARG A 9 -14.443 -7.780 -9.376 1.00 55.33 H new ATOM 0 HB3 ARG A 9 -13.410 -8.732 -10.425 1.00 55.33 H new ATOM 0 HG2 ARG A 9 -13.266 -5.702 -10.284 1.00 21.03 H new ATOM 0 HG3 ARG A 9 -12.316 -6.749 -9.249 1.00 21.03 H new ATOM 0 HD2 ARG A 9 -10.778 -6.684 -10.914 1.00 21.42 H new ATOM 0 HD3 ARG A 9 -11.802 -7.865 -11.706 1.00 21.42 H new ATOM 0 HE ARG A 9 -12.348 -6.282 -13.308 1.00 73.15 H new ATOM 0 HH11 ARG A 9 -11.154 -4.680 -10.398 1.00 62.31 H new ATOM 0 HH12 ARG A 9 -11.169 -3.075 -11.135 1.00 62.31 H new ATOM 0 HH21 ARG A 9 -12.364 -4.216 -14.250 1.00 43.23 H new ATOM 0 HH22 ARG A 9 -11.851 -2.813 -13.306 1.00 43.23 H new ATOM 148 N ALA A 10 -15.883 -9.643 -12.130 1.00 52.22 N ATOM 149 CA ALA A 10 -16.903 -10.685 -12.134 1.00 5.23 C ATOM 150 C ALA A 10 -16.421 -11.926 -11.391 1.00 34.12 C ATOM 151 O ALA A 10 -15.350 -12.459 -11.682 1.00 31.35 O ATOM 152 CB ALA A 10 -17.290 -11.039 -13.562 1.00 41.10 C ATOM 0 H ALA A 10 -15.089 -9.827 -12.744 1.00 52.22 H new ATOM 0 HA ALA A 10 -17.782 -10.302 -11.616 1.00 5.23 H new ATOM 0 HB1 ALA A 10 -18.052 -11.818 -13.550 1.00 41.10 H new ATOM 0 HB2 ALA A 10 -17.683 -10.154 -14.062 1.00 41.10 H new ATOM 0 HB3 ALA A 10 -16.412 -11.399 -14.098 1.00 41.10 H new ATOM 158 N ARG A 11 -17.219 -12.382 -10.429 1.00 42.14 N ATOM 159 CA ARG A 11 -16.873 -13.559 -9.644 1.00 20.41 C ATOM 160 C ARG A 11 -17.716 -14.760 -10.063 1.00 61.02 C ATOM 161 O ARG A 11 -18.892 -14.858 -9.712 1.00 24.51 O ATOM 162 CB ARG A 11 -17.070 -13.280 -8.152 1.00 63.00 C ATOM 163 CG ARG A 11 -15.788 -12.907 -7.428 1.00 22.25 C ATOM 164 CD ARG A 11 -16.076 -12.249 -6.087 1.00 33.32 C ATOM 165 NE ARG A 11 -14.912 -11.539 -5.564 1.00 34.22 N ATOM 166 CZ ARG A 11 -14.921 -10.850 -4.429 1.00 53.41 C ATOM 167 NH1 ARG A 11 -16.028 -10.778 -3.701 1.00 74.53 N ATOM 168 NH2 ARG A 11 -13.823 -10.230 -4.018 1.00 63.10 N ATOM 0 H ARG A 11 -18.109 -11.953 -10.176 1.00 42.14 H new ATOM 0 HA ARG A 11 -15.824 -13.791 -9.828 1.00 20.41 H new ATOM 0 HB2 ARG A 11 -17.792 -12.472 -8.034 1.00 63.00 H new ATOM 0 HB3 ARG A 11 -17.500 -14.163 -7.680 1.00 63.00 H new ATOM 0 HG2 ARG A 11 -15.183 -13.800 -7.274 1.00 22.25 H new ATOM 0 HG3 ARG A 11 -15.202 -12.229 -8.049 1.00 22.25 H new ATOM 0 HD2 ARG A 11 -16.907 -11.552 -6.196 1.00 33.32 H new ATOM 0 HD3 ARG A 11 -16.389 -13.008 -5.371 1.00 33.32 H new ATOM 0 HE ARG A 11 -14.045 -11.574 -6.100 1.00 34.22 H new ATOM 0 HH11 ARG A 11 -16.875 -11.253 -4.013 1.00 74.53 H new ATOM 0 HH12 ARG A 11 -16.032 -10.248 -2.830 1.00 74.53 H new ATOM 0 HH21 ARG A 11 -12.970 -10.282 -4.574 1.00 63.10 H new ATOM 0 HH22 ARG A 11 -13.832 -9.701 -3.146 1.00 63.10 H new ATOM 182 N ILE A 12 -17.106 -15.670 -10.816 1.00 51.01 N ATOM 183 CA ILE A 12 -17.800 -16.864 -11.282 1.00 72.35 C ATOM 184 C ILE A 12 -17.559 -18.042 -10.345 1.00 4.33 C ATOM 185 O ILE A 12 -16.415 -18.392 -10.052 1.00 74.25 O ATOM 186 CB ILE A 12 -17.356 -17.254 -12.704 1.00 65.31 C ATOM 187 CG1 ILE A 12 -17.644 -16.114 -13.683 1.00 41.13 C ATOM 188 CG2 ILE A 12 -18.057 -18.529 -13.147 1.00 30.22 C ATOM 189 CD1 ILE A 12 -16.998 -16.303 -15.038 1.00 52.15 C ATOM 0 H ILE A 12 -16.133 -15.603 -11.116 1.00 51.01 H new ATOM 0 HA ILE A 12 -18.864 -16.626 -11.295 1.00 72.35 H new ATOM 0 HB ILE A 12 -16.282 -17.437 -12.695 1.00 65.31 H new ATOM 0 HG12 ILE A 12 -18.722 -16.022 -13.813 1.00 41.13 H new ATOM 0 HG13 ILE A 12 -17.294 -15.177 -13.250 1.00 41.13 H new ATOM 0 HG21 ILE A 12 -17.733 -18.791 -14.154 1.00 30.22 H new ATOM 0 HG22 ILE A 12 -17.806 -19.339 -12.462 1.00 30.22 H new ATOM 0 HG23 ILE A 12 -19.136 -18.372 -13.143 1.00 30.22 H new ATOM 0 HD11 ILE A 12 -17.245 -15.457 -15.680 1.00 52.15 H new ATOM 0 HD12 ILE A 12 -15.916 -16.365 -14.920 1.00 52.15 H new ATOM 0 HD13 ILE A 12 -17.367 -17.223 -15.492 1.00 52.15 H new ATOM 201 N TYR A 13 -18.643 -18.652 -9.879 1.00 1.11 N ATOM 202 CA TYR A 13 -18.549 -19.791 -8.974 1.00 32.05 C ATOM 203 C TYR A 13 -19.197 -21.029 -9.587 1.00 3.15 C ATOM 204 O TYR A 13 -20.238 -20.942 -10.238 1.00 35.14 O ATOM 205 CB TYR A 13 -19.217 -19.463 -7.636 1.00 25.31 C ATOM 206 CG TYR A 13 -19.341 -20.654 -6.714 1.00 31.45 C ATOM 207 CD1 TYR A 13 -18.227 -21.407 -6.363 1.00 4.30 C ATOM 208 CD2 TYR A 13 -20.573 -21.027 -6.191 1.00 52.01 C ATOM 209 CE1 TYR A 13 -18.337 -22.496 -5.521 1.00 24.44 C ATOM 210 CE2 TYR A 13 -20.693 -22.114 -5.347 1.00 24.51 C ATOM 211 CZ TYR A 13 -19.571 -22.846 -5.016 1.00 72.10 C ATOM 212 OH TYR A 13 -19.684 -23.929 -4.176 1.00 31.11 O ATOM 0 H TYR A 13 -19.597 -18.377 -10.113 1.00 1.11 H new ATOM 0 HA TYR A 13 -17.493 -20.001 -8.804 1.00 32.05 H new ATOM 0 HB2 TYR A 13 -18.643 -18.684 -7.134 1.00 25.31 H new ATOM 0 HB3 TYR A 13 -20.210 -19.056 -7.825 1.00 25.31 H new ATOM 0 HD1 TYR A 13 -17.258 -21.136 -6.756 1.00 4.30 H new ATOM 0 HD2 TYR A 13 -21.453 -20.457 -6.449 1.00 52.01 H new ATOM 0 HE1 TYR A 13 -17.461 -23.071 -5.259 1.00 24.44 H new ATOM 0 HE2 TYR A 13 -21.659 -22.389 -4.949 1.00 24.51 H new ATOM 0 HH TYR A 13 -20.620 -24.039 -3.909 1.00 31.11 H new ATOM 468 N TRP A 30 -24.267 -22.429 -13.338 1.00 63.33 N ATOM 469 CA TRP A 30 -23.111 -21.635 -12.938 1.00 44.02 C ATOM 470 C TRP A 30 -23.547 -20.333 -12.276 1.00 53.54 C ATOM 471 O TRP A 30 -24.622 -19.807 -12.567 1.00 13.24 O ATOM 472 CB TRP A 30 -22.229 -21.333 -14.151 1.00 74.31 C ATOM 473 CG TRP A 30 -21.350 -22.481 -14.546 1.00 62.41 C ATOM 474 CD1 TRP A 30 -21.727 -23.612 -15.213 1.00 0.03 C ATOM 475 CD2 TRP A 30 -19.946 -22.610 -14.297 1.00 10.21 C ATOM 476 NE1 TRP A 30 -20.642 -24.436 -15.392 1.00 74.11 N ATOM 477 CE2 TRP A 30 -19.537 -23.843 -14.841 1.00 12.34 C ATOM 478 CE3 TRP A 30 -18.993 -21.802 -13.670 1.00 51.21 C ATOM 479 CZ2 TRP A 30 -18.219 -24.286 -14.773 1.00 60.54 C ATOM 480 CZ3 TRP A 30 -17.686 -22.243 -13.604 1.00 64.10 C ATOM 481 CH2 TRP A 30 -17.308 -23.476 -14.154 1.00 4.43 C ATOM 0 HA TRP A 30 -22.537 -22.214 -12.215 1.00 44.02 H new ATOM 0 HB2 TRP A 30 -22.864 -21.064 -14.995 1.00 74.31 H new ATOM 0 HB3 TRP A 30 -21.606 -20.466 -13.931 1.00 74.31 H new ATOM 0 HD1 TRP A 30 -22.730 -23.827 -15.550 1.00 0.03 H new ATOM 0 HE1 TRP A 30 -20.657 -25.342 -15.859 1.00 74.11 H new ATOM 0 HE3 TRP A 30 -19.274 -20.850 -13.245 1.00 51.21 H new ATOM 0 HZ2 TRP A 30 -17.926 -25.236 -15.194 1.00 60.54 H new ATOM 0 HZ3 TRP A 30 -16.942 -21.627 -13.120 1.00 64.10 H new ATOM 0 HH2 TRP A 30 -16.277 -23.792 -14.087 1.00 4.43 H new ATOM 492 N LYS A 31 -22.708 -19.817 -11.385 1.00 34.04 N ATOM 493 CA LYS A 31 -23.007 -18.575 -10.681 1.00 21.32 C ATOM 494 C LYS A 31 -22.051 -17.465 -11.107 1.00 23.22 C ATOM 495 O LYS A 31 -20.893 -17.723 -11.439 1.00 74.33 O ATOM 496 CB LYS A 31 -22.916 -18.788 -9.168 1.00 71.04 C ATOM 497 CG LYS A 31 -23.829 -17.873 -8.370 1.00 52.10 C ATOM 498 CD LYS A 31 -23.793 -18.204 -6.887 1.00 61.24 C ATOM 499 CE LYS A 31 -22.568 -17.607 -6.213 1.00 3.33 C ATOM 500 NZ LYS A 31 -22.792 -16.191 -5.808 1.00 61.32 N ATOM 0 H LYS A 31 -21.815 -20.240 -11.133 1.00 34.04 H new ATOM 0 HA LYS A 31 -24.023 -18.275 -10.939 1.00 21.32 H new ATOM 0 HB2 LYS A 31 -23.164 -19.825 -8.940 1.00 71.04 H new ATOM 0 HB3 LYS A 31 -21.886 -18.629 -8.848 1.00 71.04 H new ATOM 0 HG2 LYS A 31 -23.528 -16.836 -8.520 1.00 52.10 H new ATOM 0 HG3 LYS A 31 -24.850 -17.965 -8.739 1.00 52.10 H new ATOM 0 HD2 LYS A 31 -24.695 -17.825 -6.406 1.00 61.24 H new ATOM 0 HD3 LYS A 31 -23.792 -19.286 -6.754 1.00 61.24 H new ATOM 0 HE2 LYS A 31 -22.312 -18.200 -5.335 1.00 3.33 H new ATOM 0 HE3 LYS A 31 -21.718 -17.660 -6.893 1.00 3.33 H new ATOM 0 HZ1 LYS A 31 -21.934 -15.820 -5.352 1.00 61.32 H new ATOM 0 HZ2 LYS A 31 -23.012 -15.620 -6.649 1.00 61.32 H new ATOM 0 HZ3 LYS A 31 -23.587 -16.143 -5.140 1.00 61.32 H new ATOM 514 N LEU A 32 -22.542 -16.231 -11.094 1.00 71.40 N ATOM 515 CA LEU A 32 -21.731 -15.082 -11.478 1.00 51.53 C ATOM 516 C LEU A 32 -22.175 -13.828 -10.731 1.00 24.10 C ATOM 517 O LEU A 32 -23.357 -13.487 -10.720 1.00 61.03 O ATOM 518 CB LEU A 32 -21.822 -14.848 -12.988 1.00 21.23 C ATOM 519 CG LEU A 32 -21.005 -13.679 -13.538 1.00 11.53 C ATOM 520 CD1 LEU A 32 -21.763 -12.371 -13.365 1.00 43.14 C ATOM 521 CD2 LEU A 32 -19.650 -13.605 -12.850 1.00 21.54 C ATOM 0 H LEU A 32 -23.498 -16.001 -10.822 1.00 71.40 H new ATOM 0 HA LEU A 32 -20.696 -15.295 -11.211 1.00 51.53 H new ATOM 0 HB2 LEU A 32 -21.503 -15.758 -13.496 1.00 21.23 H new ATOM 0 HB3 LEU A 32 -22.868 -14.688 -13.248 1.00 21.23 H new ATOM 0 HG LEU A 32 -20.842 -13.844 -14.603 1.00 11.53 H new ATOM 0 HD11 LEU A 32 -21.167 -11.550 -13.762 1.00 43.14 H new ATOM 0 HD12 LEU A 32 -22.710 -12.425 -13.903 1.00 43.14 H new ATOM 0 HD13 LEU A 32 -21.957 -12.200 -12.306 1.00 43.14 H new ATOM 0 HD21 LEU A 32 -19.082 -12.767 -13.254 1.00 21.54 H new ATOM 0 HD22 LEU A 32 -19.793 -13.463 -11.779 1.00 21.54 H new ATOM 0 HD23 LEU A 32 -19.103 -14.532 -13.024 1.00 21.54 H new ATOM 533 N GLU A 33 -21.218 -13.146 -10.109 1.00 44.22 N ATOM 534 CA GLU A 33 -21.512 -11.929 -9.361 1.00 45.42 C ATOM 535 C GLU A 33 -20.534 -10.815 -9.728 1.00 33.14 C ATOM 536 O GLU A 33 -19.335 -10.916 -9.467 1.00 31.44 O ATOM 537 CB GLU A 33 -21.450 -12.202 -7.857 1.00 10.22 C ATOM 538 CG GLU A 33 -20.417 -13.245 -7.468 1.00 65.33 C ATOM 539 CD GLU A 33 -19.759 -12.949 -6.135 1.00 54.42 C ATOM 540 OE1 GLU A 33 -20.258 -12.060 -5.413 1.00 54.41 O ATOM 541 OE2 GLU A 33 -18.746 -13.603 -5.813 1.00 35.41 O ATOM 0 H GLU A 33 -20.234 -13.415 -10.108 1.00 44.22 H new ATOM 0 HA GLU A 33 -22.519 -11.605 -9.623 1.00 45.42 H new ATOM 0 HB2 GLU A 33 -21.227 -11.271 -7.337 1.00 10.22 H new ATOM 0 HB3 GLU A 33 -22.432 -12.531 -7.516 1.00 10.22 H new ATOM 0 HG2 GLU A 33 -20.894 -14.224 -7.423 1.00 65.33 H new ATOM 0 HG3 GLU A 33 -19.652 -13.299 -8.242 1.00 65.33 H new ATOM 548 N PHE A 34 -21.055 -9.755 -10.334 1.00 54.10 N ATOM 549 CA PHE A 34 -20.229 -8.622 -10.739 1.00 32.12 C ATOM 550 C PHE A 34 -20.327 -7.488 -9.723 1.00 21.12 C ATOM 551 O PHE A 34 -21.397 -7.217 -9.181 1.00 54.11 O ATOM 552 CB PHE A 34 -20.654 -8.122 -12.121 1.00 15.11 C ATOM 553 CG PHE A 34 -21.964 -7.387 -12.116 1.00 53.51 C ATOM 554 CD1 PHE A 34 -23.163 -8.081 -12.092 1.00 53.23 C ATOM 555 CD2 PHE A 34 -21.996 -6.002 -12.134 1.00 23.05 C ATOM 556 CE1 PHE A 34 -24.370 -7.406 -12.089 1.00 25.13 C ATOM 557 CE2 PHE A 34 -23.199 -5.322 -12.130 1.00 12.34 C ATOM 558 CZ PHE A 34 -24.388 -6.025 -12.106 1.00 21.13 C ATOM 0 H PHE A 34 -22.046 -9.655 -10.556 1.00 54.10 H new ATOM 0 HA PHE A 34 -19.193 -8.957 -10.785 1.00 32.12 H new ATOM 0 HB2 PHE A 34 -19.879 -7.464 -12.515 1.00 15.11 H new ATOM 0 HB3 PHE A 34 -20.726 -8.972 -12.800 1.00 15.11 H new ATOM 0 HD1 PHE A 34 -23.155 -9.161 -12.075 1.00 53.23 H new ATOM 0 HD2 PHE A 34 -21.070 -5.447 -12.151 1.00 23.05 H new ATOM 0 HE1 PHE A 34 -25.298 -7.958 -12.073 1.00 25.13 H new ATOM 0 HE2 PHE A 34 -23.210 -4.242 -12.146 1.00 12.34 H new ATOM 0 HZ PHE A 34 -25.330 -5.496 -12.101 1.00 21.13 H new ATOM 568 N GLU A 35 -19.199 -6.830 -9.470 1.00 13.25 N ATOM 569 CA GLU A 35 -19.157 -5.727 -8.517 1.00 41.15 C ATOM 570 C GLU A 35 -20.133 -4.624 -8.920 1.00 32.23 C ATOM 571 O GLU A 35 -20.565 -4.531 -10.069 1.00 11.15 O ATOM 572 CB GLU A 35 -17.739 -5.159 -8.423 1.00 52.15 C ATOM 573 CG GLU A 35 -16.929 -5.734 -7.274 1.00 1.32 C ATOM 574 CD GLU A 35 -17.104 -7.233 -7.130 1.00 2.14 C ATOM 575 OE1 GLU A 35 -16.766 -7.963 -8.086 1.00 34.03 O ATOM 576 OE2 GLU A 35 -17.576 -7.676 -6.062 1.00 52.10 O ATOM 0 H GLU A 35 -18.304 -7.041 -9.911 1.00 13.25 H new ATOM 0 HA GLU A 35 -19.452 -6.112 -7.541 1.00 41.15 H new ATOM 0 HB2 GLU A 35 -17.216 -5.354 -9.359 1.00 52.15 H new ATOM 0 HB3 GLU A 35 -17.797 -4.076 -8.310 1.00 52.15 H new ATOM 0 HG2 GLU A 35 -15.874 -5.508 -7.429 1.00 1.32 H new ATOM 0 HG3 GLU A 35 -17.226 -5.246 -6.345 1.00 1.32 H new ATOM 946 N LEU A 60 -25.991 -12.864 -10.250 1.00 63.35 N ATOM 947 CA LEU A 60 -26.349 -13.366 -11.572 1.00 55.03 C ATOM 948 C LEU A 60 -26.151 -14.876 -11.653 1.00 74.14 C ATOM 949 O LEU A 60 -25.236 -15.426 -11.041 1.00 63.31 O ATOM 950 CB LEU A 60 -25.511 -12.672 -12.648 1.00 34.12 C ATOM 951 CG LEU A 60 -26.237 -11.621 -13.488 1.00 71.35 C ATOM 952 CD1 LEU A 60 -25.281 -10.983 -14.485 1.00 51.45 C ATOM 953 CD2 LEU A 60 -27.426 -12.241 -14.209 1.00 12.43 C ATOM 0 HA LEU A 60 -27.403 -13.146 -11.743 1.00 55.03 H new ATOM 0 HB2 LEU A 60 -24.657 -12.196 -12.165 1.00 34.12 H new ATOM 0 HB3 LEU A 60 -25.114 -13.434 -13.319 1.00 34.12 H new ATOM 0 HG LEU A 60 -26.608 -10.843 -12.821 1.00 71.35 H new ATOM 0 HD11 LEU A 60 -25.814 -10.237 -15.075 1.00 51.45 H new ATOM 0 HD12 LEU A 60 -24.462 -10.504 -13.948 1.00 51.45 H new ATOM 0 HD13 LEU A 60 -24.880 -11.750 -15.147 1.00 51.45 H new ATOM 0 HD21 LEU A 60 -27.930 -11.478 -14.802 1.00 12.43 H new ATOM 0 HD22 LEU A 60 -27.078 -13.039 -14.865 1.00 12.43 H new ATOM 0 HD23 LEU A 60 -28.122 -12.651 -13.477 1.00 12.43 H new ATOM 965 N SER A 61 -27.016 -15.541 -12.413 1.00 21.42 N ATOM 966 CA SER A 61 -26.937 -16.989 -12.574 1.00 52.31 C ATOM 967 C SER A 61 -26.892 -17.370 -14.050 1.00 10.01 C ATOM 968 O SER A 61 -27.741 -16.953 -14.837 1.00 74.25 O ATOM 969 CB SER A 61 -28.131 -17.663 -11.897 1.00 34.42 C ATOM 970 OG SER A 61 -29.260 -16.806 -11.881 1.00 21.22 O ATOM 0 H SER A 61 -27.779 -15.101 -12.927 1.00 21.42 H new ATOM 0 HA SER A 61 -26.018 -17.334 -12.101 1.00 52.31 H new ATOM 0 HB2 SER A 61 -28.378 -18.585 -12.423 1.00 34.42 H new ATOM 0 HB3 SER A 61 -27.866 -17.939 -10.876 1.00 34.42 H new ATOM 0 HG SER A 61 -30.010 -17.261 -11.444 1.00 21.22 H new ATOM 976 N PHE A 62 -25.894 -18.167 -14.419 1.00 3.31 N ATOM 977 CA PHE A 62 -25.736 -18.604 -15.801 1.00 32.52 C ATOM 978 C PHE A 62 -26.016 -20.099 -15.933 1.00 51.23 C ATOM 979 O PHE A 62 -25.946 -20.845 -14.955 1.00 43.24 O ATOM 980 CB PHE A 62 -24.323 -18.293 -16.298 1.00 32.31 C ATOM 981 CG PHE A 62 -24.099 -16.838 -16.596 1.00 72.51 C ATOM 982 CD1 PHE A 62 -24.365 -16.327 -17.857 1.00 2.04 C ATOM 983 CD2 PHE A 62 -23.624 -15.982 -15.616 1.00 71.14 C ATOM 984 CE1 PHE A 62 -24.160 -14.989 -18.135 1.00 14.43 C ATOM 985 CE2 PHE A 62 -23.419 -14.642 -15.888 1.00 21.11 C ATOM 986 CZ PHE A 62 -23.686 -14.145 -17.148 1.00 63.41 C ATOM 0 H PHE A 62 -25.183 -18.523 -13.780 1.00 3.31 H new ATOM 0 HA PHE A 62 -26.456 -18.061 -16.413 1.00 32.52 H new ATOM 0 HB2 PHE A 62 -23.603 -18.617 -15.547 1.00 32.31 H new ATOM 0 HB3 PHE A 62 -24.127 -18.875 -17.199 1.00 32.31 H new ATOM 0 HD1 PHE A 62 -24.737 -16.982 -18.631 1.00 2.04 H new ATOM 0 HD2 PHE A 62 -23.412 -16.365 -14.629 1.00 71.14 H new ATOM 0 HE1 PHE A 62 -24.370 -14.603 -19.122 1.00 14.43 H new ATOM 0 HE2 PHE A 62 -23.050 -13.984 -15.115 1.00 21.11 H new ATOM 0 HZ PHE A 62 -23.525 -13.099 -17.362 1.00 63.41 H new ATOM 996 N THR A 63 -26.336 -20.530 -17.150 1.00 2.32 N ATOM 997 CA THR A 63 -26.628 -21.933 -17.410 1.00 61.45 C ATOM 998 C THR A 63 -25.349 -22.727 -17.645 1.00 22.31 C ATOM 999 O THR A 63 -25.155 -23.798 -17.069 1.00 34.22 O ATOM 1000 CB THR A 63 -27.552 -22.096 -18.633 1.00 2.12 C ATOM 1001 OG1 THR A 63 -28.435 -20.974 -18.733 1.00 51.31 O ATOM 1002 CG2 THR A 63 -28.363 -23.379 -18.531 1.00 41.21 C ATOM 0 H THR A 63 -26.399 -19.927 -17.970 1.00 2.32 H new ATOM 0 HA THR A 63 -27.134 -22.320 -16.526 1.00 61.45 H new ATOM 0 HB THR A 63 -26.930 -22.148 -19.526 1.00 2.12 H new ATOM 0 HG1 THR A 63 -29.017 -21.085 -19.513 1.00 51.31 H new ATOM 0 HG21 THR A 63 -29.008 -23.472 -19.405 1.00 41.21 H new ATOM 0 HG22 THR A 63 -27.688 -24.234 -18.485 1.00 41.21 H new ATOM 0 HG23 THR A 63 -28.975 -23.352 -17.630 1.00 41.21 H new ATOM 1010 N THR A 64 -24.476 -22.197 -18.496 1.00 4.52 N ATOM 1011 CA THR A 64 -23.214 -22.856 -18.807 1.00 22.11 C ATOM 1012 C THR A 64 -22.028 -21.952 -18.492 1.00 71.10 C ATOM 1013 O THR A 64 -22.176 -20.735 -18.381 1.00 54.21 O ATOM 1014 CB THR A 64 -23.148 -23.272 -20.290 1.00 13.13 C ATOM 1015 OG1 THR A 64 -23.912 -22.362 -21.088 1.00 50.21 O ATOM 1016 CG2 THR A 64 -23.677 -24.686 -20.478 1.00 63.42 C ATOM 0 H THR A 64 -24.620 -21.312 -18.982 1.00 4.52 H new ATOM 0 HA THR A 64 -23.162 -23.748 -18.183 1.00 22.11 H new ATOM 0 HB THR A 64 -22.105 -23.245 -20.607 1.00 13.13 H new ATOM 0 HG1 THR A 64 -23.864 -22.632 -22.029 1.00 50.21 H new ATOM 0 HG21 THR A 64 -23.621 -24.958 -21.532 1.00 63.42 H new ATOM 0 HG22 THR A 64 -23.076 -25.380 -19.891 1.00 63.42 H new ATOM 0 HG23 THR A 64 -24.714 -24.734 -20.146 1.00 63.42 H new ATOM 1024 N ARG A 65 -20.852 -22.554 -18.350 1.00 2.43 N ATOM 1025 CA ARG A 65 -19.641 -21.802 -18.046 1.00 63.53 C ATOM 1026 C ARG A 65 -19.422 -20.688 -19.067 1.00 12.03 C ATOM 1027 O ARG A 65 -19.306 -19.518 -18.706 1.00 2.34 O ATOM 1028 CB ARG A 65 -18.428 -22.734 -18.026 1.00 32.53 C ATOM 1029 CG ARG A 65 -17.103 -22.008 -17.856 1.00 14.24 C ATOM 1030 CD ARG A 65 -15.923 -22.950 -18.034 1.00 74.42 C ATOM 1031 NE ARG A 65 -14.932 -22.792 -16.974 1.00 10.05 N ATOM 1032 CZ ARG A 65 -13.731 -23.361 -17.000 1.00 51.22 C ATOM 1033 NH1 ARG A 65 -13.376 -24.120 -18.027 1.00 1.14 N ATOM 1034 NH2 ARG A 65 -12.883 -23.170 -15.997 1.00 52.52 N ATOM 0 H ARG A 65 -20.712 -23.560 -18.441 1.00 2.43 H new ATOM 0 HA ARG A 65 -19.761 -21.351 -17.061 1.00 63.53 H new ATOM 0 HB2 ARG A 65 -18.546 -23.452 -17.214 1.00 32.53 H new ATOM 0 HB3 ARG A 65 -18.403 -23.304 -18.955 1.00 32.53 H new ATOM 0 HG2 ARG A 65 -17.035 -21.198 -18.582 1.00 14.24 H new ATOM 0 HG3 ARG A 65 -17.061 -21.553 -16.866 1.00 14.24 H new ATOM 0 HD2 ARG A 65 -16.280 -23.980 -18.046 1.00 74.42 H new ATOM 0 HD3 ARG A 65 -15.453 -22.764 -19.000 1.00 74.42 H new ATOM 0 HE ARG A 65 -15.174 -22.214 -16.170 1.00 10.05 H new ATOM 0 HH11 ARG A 65 -14.025 -24.269 -18.800 1.00 1.14 H new ATOM 0 HH12 ARG A 65 -12.454 -24.555 -18.045 1.00 1.14 H new ATOM 0 HH21 ARG A 65 -13.153 -22.586 -15.205 1.00 52.52 H new ATOM 0 HH22 ARG A 65 -11.962 -23.607 -16.018 1.00 52.52 H new ATOM 1048 N GLU A 66 -19.368 -21.063 -20.342 1.00 5.55 N ATOM 1049 CA GLU A 66 -19.161 -20.095 -21.413 1.00 71.20 C ATOM 1050 C GLU A 66 -20.160 -18.946 -21.308 1.00 22.24 C ATOM 1051 O GLU A 66 -19.829 -17.794 -21.589 1.00 54.31 O ATOM 1052 CB GLU A 66 -19.293 -20.776 -22.777 1.00 73.22 C ATOM 1053 CG GLU A 66 -18.510 -20.085 -23.880 1.00 14.04 C ATOM 1054 CD GLU A 66 -18.363 -20.946 -25.119 1.00 60.53 C ATOM 1055 OE1 GLU A 66 -18.377 -22.188 -24.983 1.00 30.04 O ATOM 1056 OE2 GLU A 66 -18.234 -20.380 -26.224 1.00 53.12 O ATOM 0 H GLU A 66 -19.465 -22.028 -20.658 1.00 5.55 H new ATOM 0 HA GLU A 66 -18.154 -19.689 -21.312 1.00 71.20 H new ATOM 0 HB2 GLU A 66 -18.952 -21.808 -22.693 1.00 73.22 H new ATOM 0 HB3 GLU A 66 -20.346 -20.810 -23.057 1.00 73.22 H new ATOM 0 HG2 GLU A 66 -19.010 -19.154 -24.147 1.00 14.04 H new ATOM 0 HG3 GLU A 66 -17.521 -19.820 -23.507 1.00 14.04 H new ATOM 1063 N LEU A 67 -21.383 -19.269 -20.901 1.00 15.31 N ATOM 1064 CA LEU A 67 -22.431 -18.265 -20.758 1.00 41.33 C ATOM 1065 C LEU A 67 -21.999 -17.157 -19.803 1.00 1.35 C ATOM 1066 O LEU A 67 -22.222 -15.975 -20.063 1.00 12.12 O ATOM 1067 CB LEU A 67 -23.721 -18.913 -20.254 1.00 30.41 C ATOM 1068 CG LEU A 67 -25.008 -18.488 -20.963 1.00 20.40 C ATOM 1069 CD1 LEU A 67 -24.925 -18.798 -22.450 1.00 51.01 C ATOM 1070 CD2 LEU A 67 -26.213 -19.178 -20.340 1.00 13.41 C ATOM 0 H LEU A 67 -21.673 -20.218 -20.664 1.00 15.31 H new ATOM 0 HA LEU A 67 -22.612 -17.824 -21.738 1.00 41.33 H new ATOM 0 HB2 LEU A 67 -23.620 -19.995 -20.345 1.00 30.41 H new ATOM 0 HB3 LEU A 67 -23.825 -18.691 -19.192 1.00 30.41 H new ATOM 0 HG LEU A 67 -25.128 -17.411 -20.843 1.00 20.40 H new ATOM 0 HD11 LEU A 67 -25.849 -18.489 -22.938 1.00 51.01 H new ATOM 0 HD12 LEU A 67 -24.085 -18.258 -22.888 1.00 51.01 H new ATOM 0 HD13 LEU A 67 -24.781 -19.869 -22.591 1.00 51.01 H new ATOM 0 HD21 LEU A 67 -27.120 -18.864 -20.857 1.00 13.41 H new ATOM 0 HD22 LEU A 67 -26.100 -20.258 -20.430 1.00 13.41 H new ATOM 0 HD23 LEU A 67 -26.283 -18.907 -19.287 1.00 13.41 H new ATOM 1082 N ALA A 68 -21.376 -17.548 -18.695 1.00 64.14 N ATOM 1083 CA ALA A 68 -20.907 -16.589 -17.703 1.00 50.51 C ATOM 1084 C ALA A 68 -19.813 -15.695 -18.276 1.00 64.34 C ATOM 1085 O ALA A 68 -19.990 -14.484 -18.403 1.00 13.11 O ATOM 1086 CB ALA A 68 -20.404 -17.314 -16.463 1.00 64.43 C ATOM 0 H ALA A 68 -21.185 -18.523 -18.463 1.00 64.14 H new ATOM 0 HA ALA A 68 -21.748 -15.954 -17.423 1.00 50.51 H new ATOM 0 HB1 ALA A 68 -20.057 -16.585 -15.731 1.00 64.43 H new ATOM 0 HB2 ALA A 68 -21.214 -17.903 -16.033 1.00 64.43 H new ATOM 0 HB3 ALA A 68 -19.581 -17.974 -16.736 1.00 64.43 H new ATOM 1092 N ILE A 69 -18.681 -16.301 -18.620 1.00 52.33 N ATOM 1093 CA ILE A 69 -17.558 -15.560 -19.180 1.00 62.13 C ATOM 1094 C ILE A 69 -17.998 -14.712 -20.369 1.00 42.45 C ATOM 1095 O ILE A 69 -17.496 -13.608 -20.577 1.00 2.53 O ATOM 1096 CB ILE A 69 -16.428 -16.504 -19.629 1.00 21.23 C ATOM 1097 CG1 ILE A 69 -15.903 -17.309 -18.439 1.00 11.15 C ATOM 1098 CG2 ILE A 69 -15.301 -15.712 -20.277 1.00 41.14 C ATOM 1099 CD1 ILE A 69 -16.497 -18.697 -18.338 1.00 42.34 C ATOM 0 H ILE A 69 -18.518 -17.303 -18.521 1.00 52.33 H new ATOM 0 HA ILE A 69 -17.184 -14.909 -18.390 1.00 62.13 H new ATOM 0 HB ILE A 69 -16.828 -17.200 -20.367 1.00 21.23 H new ATOM 0 HG12 ILE A 69 -14.819 -17.391 -18.517 1.00 11.15 H new ATOM 0 HG13 ILE A 69 -16.116 -16.764 -17.520 1.00 11.15 H new ATOM 0 HG21 ILE A 69 -14.510 -16.394 -20.589 1.00 41.14 H new ATOM 0 HG22 ILE A 69 -15.684 -15.179 -21.147 1.00 41.14 H new ATOM 0 HG23 ILE A 69 -14.901 -14.996 -19.560 1.00 41.14 H new ATOM 0 HD11 ILE A 69 -16.079 -19.209 -17.472 1.00 42.34 H new ATOM 0 HD12 ILE A 69 -17.579 -18.623 -18.229 1.00 42.34 H new ATOM 0 HD13 ILE A 69 -16.261 -19.260 -19.241 1.00 42.34 H new ATOM 1111 N ALA A 70 -18.941 -15.235 -21.146 1.00 52.52 N ATOM 1112 CA ALA A 70 -19.451 -14.524 -22.312 1.00 54.00 C ATOM 1113 C ALA A 70 -19.960 -13.137 -21.930 1.00 73.30 C ATOM 1114 O ALA A 70 -19.967 -12.220 -22.751 1.00 31.24 O ATOM 1115 CB ALA A 70 -20.557 -15.329 -22.978 1.00 31.10 C ATOM 0 H ALA A 70 -19.367 -16.148 -20.989 1.00 52.52 H new ATOM 0 HA ALA A 70 -18.631 -14.399 -23.019 1.00 54.00 H new ATOM 0 HB1 ALA A 70 -20.929 -14.787 -23.847 1.00 31.10 H new ATOM 0 HB2 ALA A 70 -20.164 -16.295 -23.294 1.00 31.10 H new ATOM 0 HB3 ALA A 70 -21.372 -15.483 -22.270 1.00 31.10 H new ATOM 1121 N TYR A 71 -20.388 -12.993 -20.680 1.00 72.51 N ATOM 1122 CA TYR A 71 -20.902 -11.720 -20.192 1.00 13.44 C ATOM 1123 C TYR A 71 -19.761 -10.766 -19.852 1.00 0.23 C ATOM 1124 O TYR A 71 -19.719 -9.634 -20.334 1.00 25.33 O ATOM 1125 CB TYR A 71 -21.781 -11.940 -18.959 1.00 1.51 C ATOM 1126 CG TYR A 71 -22.281 -10.657 -18.334 1.00 10.11 C ATOM 1127 CD1 TYR A 71 -23.096 -9.786 -19.046 1.00 1.44 C ATOM 1128 CD2 TYR A 71 -21.939 -10.316 -17.031 1.00 23.33 C ATOM 1129 CE1 TYR A 71 -23.553 -8.612 -18.478 1.00 61.12 C ATOM 1130 CE2 TYR A 71 -22.393 -9.146 -16.456 1.00 2.44 C ATOM 1131 CZ TYR A 71 -23.200 -8.297 -17.184 1.00 4.35 C ATOM 1132 OH TYR A 71 -23.655 -7.129 -16.615 1.00 24.32 O ATOM 0 H TYR A 71 -20.389 -13.742 -19.988 1.00 72.51 H new ATOM 0 HA TYR A 71 -21.503 -11.272 -20.984 1.00 13.44 H new ATOM 0 HB2 TYR A 71 -22.636 -12.555 -19.238 1.00 1.51 H new ATOM 0 HB3 TYR A 71 -21.215 -12.500 -18.215 1.00 1.51 H new ATOM 0 HD1 TYR A 71 -23.377 -10.030 -20.060 1.00 1.44 H new ATOM 0 HD2 TYR A 71 -21.307 -10.978 -16.458 1.00 23.33 H new ATOM 0 HE1 TYR A 71 -24.184 -7.944 -19.046 1.00 61.12 H new ATOM 0 HE2 TYR A 71 -22.118 -8.897 -15.442 1.00 2.44 H new ATOM 0 HH TYR A 71 -23.316 -7.058 -15.698 1.00 24.32 H new ATOM 1142 N ALA A 72 -18.837 -11.232 -19.018 1.00 1.25 N ATOM 1143 CA ALA A 72 -17.694 -10.422 -18.614 1.00 61.30 C ATOM 1144 C ALA A 72 -16.881 -9.978 -19.826 1.00 12.22 C ATOM 1145 O ALA A 72 -16.645 -8.787 -20.024 1.00 44.52 O ATOM 1146 CB ALA A 72 -16.815 -11.197 -17.643 1.00 63.41 C ATOM 0 H ALA A 72 -18.858 -12.166 -18.609 1.00 1.25 H new ATOM 0 HA ALA A 72 -18.071 -9.530 -18.114 1.00 61.30 H new ATOM 0 HB1 ALA A 72 -15.965 -10.580 -17.350 1.00 63.41 H new ATOM 0 HB2 ALA A 72 -17.395 -11.461 -16.758 1.00 63.41 H new ATOM 0 HB3 ALA A 72 -16.454 -12.106 -18.125 1.00 63.41 H new ATOM 1152 N VAL A 73 -16.456 -10.943 -20.634 1.00 62.20 N ATOM 1153 CA VAL A 73 -15.670 -10.651 -21.827 1.00 73.43 C ATOM 1154 C VAL A 73 -16.354 -9.598 -22.691 1.00 74.33 C ATOM 1155 O VAL A 73 -15.693 -8.792 -23.346 1.00 75.31 O ATOM 1156 CB VAL A 73 -15.438 -11.919 -22.671 1.00 4.33 C ATOM 1157 CG1 VAL A 73 -14.649 -11.586 -23.928 1.00 74.41 C ATOM 1158 CG2 VAL A 73 -14.723 -12.981 -21.849 1.00 64.11 C ATOM 0 H VAL A 73 -16.643 -11.935 -20.484 1.00 62.20 H new ATOM 0 HA VAL A 73 -14.708 -10.269 -21.486 1.00 73.43 H new ATOM 0 HB VAL A 73 -16.407 -12.317 -22.973 1.00 4.33 H new ATOM 0 HG11 VAL A 73 -14.495 -12.493 -24.512 1.00 74.41 H new ATOM 0 HG12 VAL A 73 -15.203 -10.861 -24.524 1.00 74.41 H new ATOM 0 HG13 VAL A 73 -13.683 -11.165 -23.650 1.00 74.41 H new ATOM 0 HG21 VAL A 73 -14.567 -13.870 -22.460 1.00 64.11 H new ATOM 0 HG22 VAL A 73 -13.759 -12.596 -21.516 1.00 64.11 H new ATOM 0 HG23 VAL A 73 -15.330 -13.239 -20.981 1.00 64.11 H new ATOM 1168 N ALA A 74 -17.683 -9.609 -22.688 1.00 61.44 N ATOM 1169 CA ALA A 74 -18.458 -8.654 -23.469 1.00 45.14 C ATOM 1170 C ALA A 74 -18.007 -7.224 -23.191 1.00 53.10 C ATOM 1171 O ALA A 74 -18.095 -6.354 -24.058 1.00 32.22 O ATOM 1172 CB ALA A 74 -19.942 -8.809 -23.174 1.00 3.43 C ATOM 0 H ALA A 74 -18.246 -10.270 -22.152 1.00 61.44 H new ATOM 0 HA ALA A 74 -18.287 -8.863 -24.525 1.00 45.14 H new ATOM 0 HB1 ALA A 74 -20.508 -8.089 -23.765 1.00 3.43 H new ATOM 0 HB2 ALA A 74 -20.261 -9.819 -23.431 1.00 3.43 H new ATOM 0 HB3 ALA A 74 -20.123 -8.630 -22.114 1.00 3.43 H new ATOM 1178 N HIS A 75 -17.526 -6.986 -21.975 1.00 24.42 N ATOM 1179 CA HIS A 75 -17.061 -5.661 -21.582 1.00 20.34 C ATOM 1180 C HIS A 75 -15.643 -5.726 -21.023 1.00 64.22 C ATOM 1181 O HIS A 75 -15.233 -4.869 -20.240 1.00 44.10 O ATOM 1182 CB HIS A 75 -18.004 -5.056 -20.541 1.00 45.52 C ATOM 1183 CG HIS A 75 -18.097 -3.562 -20.615 1.00 64.13 C ATOM 1184 ND1 HIS A 75 -18.975 -2.824 -19.850 1.00 70.10 N ATOM 1185 CD2 HIS A 75 -17.414 -2.669 -21.369 1.00 1.50 C ATOM 1186 CE1 HIS A 75 -18.830 -1.541 -20.130 1.00 62.52 C ATOM 1187 NE2 HIS A 75 -17.888 -1.420 -21.049 1.00 33.24 N ATOM 0 H HIS A 75 -17.448 -7.694 -21.245 1.00 24.42 H new ATOM 0 HA HIS A 75 -17.054 -5.027 -22.469 1.00 20.34 H new ATOM 0 HB2 HIS A 75 -18.999 -5.481 -20.673 1.00 45.52 H new ATOM 0 HB3 HIS A 75 -17.665 -5.342 -19.545 1.00 45.52 H new ATOM 0 HD2 HIS A 75 -16.641 -2.896 -22.088 1.00 1.50 H new ATOM 0 HE1 HIS A 75 -19.386 -0.730 -19.684 1.00 62.52 H new ATOM 0 HE2 HIS A 75 -17.565 -0.542 -21.455 1.00 33.24 H new ATOM 1195 N LYS A 76 -14.898 -6.748 -21.432 1.00 3.45 N ATOM 1196 CA LYS A 76 -13.525 -6.925 -20.974 1.00 12.34 C ATOM 1197 C LYS A 76 -13.449 -6.876 -19.450 1.00 44.50 C ATOM 1198 O LYS A 76 -12.594 -6.193 -18.885 1.00 31.34 O ATOM 1199 CB LYS A 76 -12.622 -5.846 -21.575 1.00 24.34 C ATOM 1200 CG LYS A 76 -12.634 -5.819 -23.093 1.00 50.13 C ATOM 1201 CD LYS A 76 -11.841 -6.976 -23.679 1.00 3.44 C ATOM 1202 CE LYS A 76 -12.337 -7.345 -25.068 1.00 23.22 C ATOM 1203 NZ LYS A 76 -11.270 -7.988 -25.885 1.00 1.32 N ATOM 0 H LYS A 76 -15.222 -7.466 -22.080 1.00 3.45 H new ATOM 0 HA LYS A 76 -13.181 -7.904 -21.306 1.00 12.34 H new ATOM 0 HB2 LYS A 76 -12.935 -4.872 -21.200 1.00 24.34 H new ATOM 0 HB3 LYS A 76 -11.600 -6.006 -21.231 1.00 24.34 H new ATOM 0 HG2 LYS A 76 -13.663 -5.864 -23.450 1.00 50.13 H new ATOM 0 HG3 LYS A 76 -12.216 -4.876 -23.444 1.00 50.13 H new ATOM 0 HD2 LYS A 76 -10.786 -6.707 -23.728 1.00 3.44 H new ATOM 0 HD3 LYS A 76 -11.919 -7.842 -23.022 1.00 3.44 H new ATOM 0 HE2 LYS A 76 -13.187 -8.022 -24.982 1.00 23.22 H new ATOM 0 HE3 LYS A 76 -12.694 -6.449 -25.576 1.00 23.22 H new ATOM 0 HZ1 LYS A 76 -11.647 -8.225 -26.825 1.00 1.32 H new ATOM 0 HZ2 LYS A 76 -10.469 -7.332 -25.988 1.00 1.32 H new ATOM 0 HZ3 LYS A 76 -10.947 -8.857 -25.413 1.00 1.32 H new ATOM 1217 N ILE A 77 -14.345 -7.604 -18.794 1.00 40.31 N ATOM 1218 CA ILE A 77 -14.377 -7.644 -17.337 1.00 51.35 C ATOM 1219 C ILE A 77 -13.563 -8.817 -16.802 1.00 31.01 C ATOM 1220 O ILE A 77 -13.584 -9.910 -17.369 1.00 33.24 O ATOM 1221 CB ILE A 77 -15.820 -7.751 -16.808 1.00 20.40 C ATOM 1222 CG1 ILE A 77 -16.700 -6.672 -17.441 1.00 43.22 C ATOM 1223 CG2 ILE A 77 -15.837 -7.635 -15.291 1.00 72.12 C ATOM 1224 CD1 ILE A 77 -18.159 -6.781 -17.058 1.00 42.15 C ATOM 0 H ILE A 77 -15.059 -8.174 -19.248 1.00 40.31 H new ATOM 0 HA ILE A 77 -13.939 -6.710 -16.986 1.00 51.35 H new ATOM 0 HB ILE A 77 -16.221 -8.726 -17.083 1.00 20.40 H new ATOM 0 HG12 ILE A 77 -16.327 -5.691 -17.145 1.00 43.22 H new ATOM 0 HG13 ILE A 77 -16.612 -6.733 -18.526 1.00 43.22 H new ATOM 0 HG21 ILE A 77 -16.863 -7.712 -14.932 1.00 72.12 H new ATOM 0 HG22 ILE A 77 -15.239 -8.437 -14.858 1.00 72.12 H new ATOM 0 HG23 ILE A 77 -15.421 -6.672 -14.995 1.00 72.12 H new ATOM 0 HD11 ILE A 77 -18.723 -5.984 -17.543 1.00 42.15 H new ATOM 0 HD12 ILE A 77 -18.548 -7.748 -17.378 1.00 42.15 H new ATOM 0 HD13 ILE A 77 -18.259 -6.690 -15.976 1.00 42.15 H new ATOM 1236 N ASP A 78 -12.847 -8.583 -15.707 1.00 75.04 N ATOM 1237 CA ASP A 78 -12.028 -9.621 -15.093 1.00 21.15 C ATOM 1238 C ASP A 78 -12.901 -10.680 -14.426 1.00 44.15 C ATOM 1239 O ASP A 78 -13.413 -10.474 -13.326 1.00 4.23 O ATOM 1240 CB ASP A 78 -11.076 -9.007 -14.066 1.00 2.22 C ATOM 1241 CG ASP A 78 -9.726 -8.661 -14.662 1.00 62.22 C ATOM 1242 OD1 ASP A 78 -9.662 -7.720 -15.481 1.00 51.22 O ATOM 1243 OD2 ASP A 78 -8.732 -9.330 -14.310 1.00 32.43 O ATOM 0 H ASP A 78 -12.818 -7.684 -15.227 1.00 75.04 H new ATOM 0 HA ASP A 78 -11.444 -10.100 -15.879 1.00 21.15 H new ATOM 0 HB2 ASP A 78 -11.527 -8.107 -13.649 1.00 2.22 H new ATOM 0 HB3 ASP A 78 -10.937 -9.705 -13.241 1.00 2.22 H new ATOM 1248 N TYR A 79 -13.069 -11.811 -15.102 1.00 1.11 N ATOM 1249 CA TYR A 79 -13.883 -12.901 -14.577 1.00 72.23 C ATOM 1250 C TYR A 79 -13.008 -13.982 -13.949 1.00 61.12 C ATOM 1251 O TYR A 79 -12.043 -14.447 -14.557 1.00 1.42 O ATOM 1252 CB TYR A 79 -14.741 -13.506 -15.689 1.00 4.24 C ATOM 1253 CG TYR A 79 -13.934 -14.061 -16.842 1.00 55.32 C ATOM 1254 CD1 TYR A 79 -13.580 -13.257 -17.918 1.00 34.32 C ATOM 1255 CD2 TYR A 79 -13.529 -15.390 -16.854 1.00 42.23 C ATOM 1256 CE1 TYR A 79 -12.845 -13.760 -18.973 1.00 64.43 C ATOM 1257 CE2 TYR A 79 -12.791 -15.901 -17.905 1.00 70.13 C ATOM 1258 CZ TYR A 79 -12.452 -15.082 -18.962 1.00 63.35 C ATOM 1259 OH TYR A 79 -11.719 -15.588 -20.011 1.00 33.42 O ATOM 0 H TYR A 79 -12.653 -11.997 -16.014 1.00 1.11 H new ATOM 0 HA TYR A 79 -14.535 -12.493 -13.805 1.00 72.23 H new ATOM 0 HB2 TYR A 79 -15.356 -14.303 -15.270 1.00 4.24 H new ATOM 0 HB3 TYR A 79 -15.422 -12.743 -16.067 1.00 4.24 H new ATOM 0 HD1 TYR A 79 -13.885 -12.221 -17.930 1.00 34.32 H new ATOM 0 HD2 TYR A 79 -13.795 -16.034 -16.029 1.00 42.23 H new ATOM 0 HE1 TYR A 79 -12.579 -13.122 -19.803 1.00 64.43 H new ATOM 0 HE2 TYR A 79 -12.481 -16.936 -17.899 1.00 70.13 H new ATOM 0 HH TYR A 79 -11.523 -16.534 -19.847 1.00 33.42 H new ATOM 1269 N THR A 80 -13.353 -14.378 -12.728 1.00 44.04 N ATOM 1270 CA THR A 80 -12.600 -15.404 -12.016 1.00 44.52 C ATOM 1271 C THR A 80 -13.436 -16.663 -11.821 1.00 3.41 C ATOM 1272 O THR A 80 -14.535 -16.610 -11.268 1.00 20.44 O ATOM 1273 CB THR A 80 -12.124 -14.898 -10.642 1.00 30.24 C ATOM 1274 OG1 THR A 80 -11.521 -15.970 -9.907 1.00 50.12 O ATOM 1275 CG2 THR A 80 -13.285 -14.321 -9.846 1.00 4.22 C ATOM 0 H THR A 80 -14.149 -14.004 -12.211 1.00 44.04 H new ATOM 0 HA THR A 80 -11.730 -15.641 -12.628 1.00 44.52 H new ATOM 0 HB THR A 80 -11.388 -14.110 -10.804 1.00 30.24 H new ATOM 0 HG1 THR A 80 -11.220 -15.640 -9.035 1.00 50.12 H new ATOM 0 HG21 THR A 80 -12.924 -13.970 -8.879 1.00 4.22 H new ATOM 0 HG22 THR A 80 -13.723 -13.487 -10.394 1.00 4.22 H new ATOM 0 HG23 THR A 80 -14.040 -15.092 -9.693 1.00 4.22 H new ATOM 1283 N VAL A 81 -12.909 -17.795 -12.276 1.00 51.45 N ATOM 1284 CA VAL A 81 -13.606 -19.068 -12.150 1.00 32.15 C ATOM 1285 C VAL A 81 -13.233 -19.773 -10.851 1.00 2.42 C ATOM 1286 O VAL A 81 -12.060 -20.050 -10.596 1.00 45.15 O ATOM 1287 CB VAL A 81 -13.292 -20.001 -13.335 1.00 51.51 C ATOM 1288 CG1 VAL A 81 -13.895 -19.454 -14.620 1.00 2.43 C ATOM 1289 CG2 VAL A 81 -11.790 -20.190 -13.479 1.00 24.53 C ATOM 0 H VAL A 81 -12.000 -17.856 -12.736 1.00 51.45 H new ATOM 0 HA VAL A 81 -14.673 -18.844 -12.146 1.00 32.15 H new ATOM 0 HB VAL A 81 -13.741 -20.975 -13.138 1.00 51.51 H new ATOM 0 HG11 VAL A 81 -13.663 -20.126 -15.446 1.00 2.43 H new ATOM 0 HG12 VAL A 81 -14.977 -19.375 -14.510 1.00 2.43 H new ATOM 0 HG13 VAL A 81 -13.478 -18.468 -14.827 1.00 2.43 H new ATOM 0 HG21 VAL A 81 -11.586 -20.852 -14.321 1.00 24.53 H new ATOM 0 HG22 VAL A 81 -11.317 -19.224 -13.654 1.00 24.53 H new ATOM 0 HG23 VAL A 81 -11.389 -20.630 -12.566 1.00 24.53 H new ATOM 1299 N LEU A 82 -14.236 -20.061 -10.030 1.00 13.52 N ATOM 1300 CA LEU A 82 -14.014 -20.733 -8.755 1.00 30.42 C ATOM 1301 C LEU A 82 -14.545 -22.163 -8.794 1.00 14.23 C ATOM 1302 O LEU A 82 -15.751 -22.384 -8.905 1.00 15.33 O ATOM 1303 CB LEU A 82 -14.687 -19.958 -7.621 1.00 53.24 C ATOM 1304 CG LEU A 82 -14.628 -20.605 -6.238 1.00 1.23 C ATOM 1305 CD1 LEU A 82 -13.186 -20.746 -5.776 1.00 32.22 C ATOM 1306 CD2 LEU A 82 -15.434 -19.793 -5.234 1.00 42.35 C ATOM 0 H LEU A 82 -15.212 -19.839 -10.225 1.00 13.52 H new ATOM 0 HA LEU A 82 -12.940 -20.768 -8.574 1.00 30.42 H new ATOM 0 HB2 LEU A 82 -14.226 -18.972 -7.559 1.00 53.24 H new ATOM 0 HB3 LEU A 82 -15.734 -19.805 -7.884 1.00 53.24 H new ATOM 0 HG LEU A 82 -15.066 -21.601 -6.305 1.00 1.23 H new ATOM 0 HD11 LEU A 82 -13.164 -21.209 -4.789 1.00 32.22 H new ATOM 0 HD12 LEU A 82 -12.637 -21.370 -6.482 1.00 32.22 H new ATOM 0 HD13 LEU A 82 -12.722 -19.761 -5.725 1.00 32.22 H new ATOM 0 HD21 LEU A 82 -15.381 -20.269 -4.255 1.00 42.35 H new ATOM 0 HD22 LEU A 82 -15.026 -18.784 -5.170 1.00 42.35 H new ATOM 0 HD23 LEU A 82 -16.474 -19.744 -5.557 1.00 42.35 H new