USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=8 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= 0.0375 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc=-0.00296 (180deg=-0.103) 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 -15.590 -6.262 -11.633 1.00 30.21 N ATOM 125 CA ARG A 9 -15.079 -7.601 -11.900 1.00 32.43 C ATOM 126 C ARG A 9 -16.199 -8.635 -11.827 1.00 74.31 C ATOM 127 O ARG A 9 -17.190 -8.442 -11.123 1.00 23.24 O ATOM 128 CB ARG A 9 -13.976 -7.959 -10.902 1.00 45.42 C ATOM 129 CG ARG A 9 -14.317 -7.605 -9.464 1.00 32.43 C ATOM 130 CD ARG A 9 -13.430 -8.353 -8.482 1.00 14.34 C ATOM 131 NE ARG A 9 -13.235 -7.605 -7.242 1.00 44.35 N ATOM 132 CZ ARG A 9 -12.484 -8.035 -6.234 1.00 52.42 C ATOM 133 NH1 ARG A 9 -11.862 -9.202 -6.318 1.00 62.01 N ATOM 134 NH2 ARG A 9 -12.355 -7.296 -5.139 1.00 33.41 N ATOM 0 HA ARG A 9 -14.664 -7.609 -12.908 1.00 32.43 H new ATOM 0 HB2 ARG A 9 -13.773 -9.028 -10.966 1.00 45.42 H new ATOM 0 HB3 ARG A 9 -13.059 -7.443 -11.187 1.00 45.42 H new ATOM 0 HG2 ARG A 9 -14.202 -6.531 -9.315 1.00 32.43 H new ATOM 0 HG3 ARG A 9 -15.362 -7.844 -9.267 1.00 32.43 H new ATOM 0 HD2 ARG A 9 -13.876 -9.321 -8.255 1.00 14.34 H new ATOM 0 HD3 ARG A 9 -12.462 -8.548 -8.944 1.00 14.34 H new ATOM 0 HE ARG A 9 -13.701 -6.703 -7.145 1.00 44.35 H new ATOM 0 HH11 ARG A 9 -11.959 -9.772 -7.158 1.00 62.01 H new ATOM 0 HH12 ARG A 9 -11.286 -9.530 -5.543 1.00 62.01 H new ATOM 0 HH21 ARG A 9 -12.833 -6.397 -5.071 1.00 33.41 H new ATOM 0 HH22 ARG A 9 -11.778 -7.627 -4.365 1.00 33.41 H new ATOM 148 N ALA A 10 -16.034 -9.732 -12.559 1.00 43.15 N ATOM 149 CA ALA A 10 -17.030 -10.797 -12.576 1.00 11.22 C ATOM 150 C ALA A 10 -16.596 -11.968 -11.702 1.00 61.51 C ATOM 151 O ALA A 10 -15.560 -12.588 -11.947 1.00 43.51 O ATOM 152 CB ALA A 10 -17.280 -11.263 -14.003 1.00 3.25 C ATOM 0 H ALA A 10 -15.220 -9.907 -13.148 1.00 43.15 H new ATOM 0 HA ALA A 10 -17.959 -10.399 -12.168 1.00 11.22 H new ATOM 0 HB1 ALA A 10 -18.026 -12.058 -14.001 1.00 3.25 H new ATOM 0 HB2 ALA A 10 -17.643 -10.427 -14.600 1.00 3.25 H new ATOM 0 HB3 ALA A 10 -16.351 -11.638 -14.431 1.00 3.25 H new ATOM 158 N ARG A 11 -17.394 -12.267 -10.682 1.00 24.13 N ATOM 159 CA ARG A 11 -17.090 -13.363 -9.769 1.00 62.44 C ATOM 160 C ARG A 11 -17.855 -14.624 -10.162 1.00 4.04 C ATOM 161 O ARG A 11 -19.052 -14.741 -9.900 1.00 33.30 O ATOM 162 CB ARG A 11 -17.436 -12.971 -8.332 1.00 45.42 C ATOM 163 CG ARG A 11 -16.778 -11.677 -7.880 1.00 11.22 C ATOM 164 CD ARG A 11 -16.858 -11.510 -6.370 1.00 11.11 C ATOM 165 NE ARG A 11 -16.179 -10.299 -5.917 1.00 75.13 N ATOM 166 CZ ARG A 11 -15.872 -10.062 -4.646 1.00 52.44 C ATOM 167 NH1 ARG A 11 -16.180 -10.946 -3.709 1.00 61.10 N ATOM 168 NH2 ARG A 11 -15.254 -8.935 -4.312 1.00 13.32 N ATOM 0 H ARG A 11 -18.256 -11.766 -10.467 1.00 24.13 H new ATOM 0 HA ARG A 11 -16.022 -13.570 -9.833 1.00 62.44 H new ATOM 0 HB2 ARG A 11 -18.518 -12.870 -8.242 1.00 45.42 H new ATOM 0 HB3 ARG A 11 -17.134 -13.776 -7.662 1.00 45.42 H new ATOM 0 HG2 ARG A 11 -15.734 -11.669 -8.193 1.00 11.22 H new ATOM 0 HG3 ARG A 11 -17.263 -10.831 -8.367 1.00 11.22 H new ATOM 0 HD2 ARG A 11 -17.904 -11.475 -6.064 1.00 11.11 H new ATOM 0 HD3 ARG A 11 -16.412 -12.379 -5.885 1.00 11.11 H new ATOM 0 HE ARG A 11 -15.927 -9.598 -6.613 1.00 75.13 H new ATOM 0 HH11 ARG A 11 -16.655 -11.813 -3.962 1.00 61.10 H new ATOM 0 HH12 ARG A 11 -15.942 -10.760 -2.735 1.00 61.10 H new ATOM 0 HH21 ARG A 11 -15.015 -8.252 -5.031 1.00 13.32 H new ATOM 0 HH22 ARG A 11 -15.018 -8.752 -3.337 1.00 13.32 H new ATOM 182 N ILE A 12 -17.155 -15.563 -10.792 1.00 52.23 N ATOM 183 CA ILE A 12 -17.769 -16.814 -11.219 1.00 52.02 C ATOM 184 C ILE A 12 -17.355 -17.967 -10.311 1.00 62.25 C ATOM 185 O ILE A 12 -16.172 -18.151 -10.023 1.00 54.20 O ATOM 186 CB ILE A 12 -17.391 -17.158 -12.672 1.00 21.10 C ATOM 187 CG1 ILE A 12 -17.770 -16.008 -13.607 1.00 12.43 C ATOM 188 CG2 ILE A 12 -18.074 -18.447 -13.105 1.00 73.11 C ATOM 189 CD1 ILE A 12 -17.151 -16.119 -14.982 1.00 62.33 C ATOM 0 H ILE A 12 -16.164 -15.481 -11.017 1.00 52.23 H new ATOM 0 HA ILE A 12 -18.848 -16.675 -11.156 1.00 52.02 H new ATOM 0 HB ILE A 12 -16.312 -17.305 -12.727 1.00 21.10 H new ATOM 0 HG12 ILE A 12 -18.855 -15.974 -13.707 1.00 12.43 H new ATOM 0 HG13 ILE A 12 -17.462 -15.066 -13.154 1.00 12.43 H new ATOM 0 HG21 ILE A 12 -17.798 -18.677 -14.134 1.00 73.11 H new ATOM 0 HG22 ILE A 12 -17.759 -19.262 -12.453 1.00 73.11 H new ATOM 0 HG23 ILE A 12 -19.155 -18.326 -13.038 1.00 73.11 H new ATOM 0 HD11 ILE A 12 -17.463 -15.270 -15.591 1.00 62.33 H new ATOM 0 HD12 ILE A 12 -16.065 -16.122 -14.893 1.00 62.33 H new ATOM 0 HD13 ILE A 12 -17.479 -17.045 -15.455 1.00 62.33 H new ATOM 201 N TYR A 13 -18.337 -18.742 -9.865 1.00 32.01 N ATOM 202 CA TYR A 13 -18.077 -19.878 -8.989 1.00 22.14 C ATOM 203 C TYR A 13 -19.115 -20.976 -9.196 1.00 65.34 C ATOM 204 O TYR A 13 -20.268 -20.702 -9.528 1.00 23.41 O ATOM 205 CB TYR A 13 -18.076 -19.431 -7.526 1.00 21.44 C ATOM 206 CG TYR A 13 -19.343 -18.720 -7.110 1.00 51.14 C ATOM 207 CD1 TYR A 13 -19.524 -17.368 -7.375 1.00 52.13 C ATOM 208 CD2 TYR A 13 -20.361 -19.399 -6.452 1.00 73.41 C ATOM 209 CE1 TYR A 13 -20.680 -16.713 -6.996 1.00 72.50 C ATOM 210 CE2 TYR A 13 -21.522 -18.754 -6.070 1.00 45.04 C ATOM 211 CZ TYR A 13 -21.676 -17.411 -6.345 1.00 53.25 C ATOM 212 OH TYR A 13 -22.830 -16.763 -5.967 1.00 11.14 O ATOM 0 H TYR A 13 -19.321 -18.604 -10.096 1.00 32.01 H new ATOM 0 HA TYR A 13 -17.095 -20.280 -9.240 1.00 22.14 H new ATOM 0 HB2 TYR A 13 -17.933 -20.303 -6.888 1.00 21.44 H new ATOM 0 HB3 TYR A 13 -17.226 -18.770 -7.357 1.00 21.44 H new ATOM 0 HD1 TYR A 13 -18.747 -16.819 -7.886 1.00 52.13 H new ATOM 0 HD2 TYR A 13 -20.243 -20.450 -6.235 1.00 73.41 H new ATOM 0 HE1 TYR A 13 -20.803 -15.661 -7.208 1.00 72.50 H new ATOM 0 HE2 TYR A 13 -22.303 -19.298 -5.560 1.00 45.04 H new ATOM 0 HH TYR A 13 -23.430 -17.397 -5.521 1.00 11.14 H new ATOM 468 N TRP A 30 -23.840 -22.685 -12.807 1.00 44.52 N ATOM 469 CA TRP A 30 -22.783 -21.733 -12.482 1.00 65.30 C ATOM 470 C TRP A 30 -23.368 -20.443 -11.918 1.00 4.25 C ATOM 471 O TRP A 30 -24.460 -20.024 -12.300 1.00 10.12 O ATOM 472 CB TRP A 30 -21.945 -21.426 -13.725 1.00 63.40 C ATOM 473 CG TRP A 30 -21.006 -22.534 -14.096 1.00 12.12 C ATOM 474 CD1 TRP A 30 -21.283 -23.615 -14.883 1.00 60.33 C ATOM 475 CD2 TRP A 30 -19.639 -22.669 -13.693 1.00 10.22 C ATOM 476 NE1 TRP A 30 -20.171 -24.414 -14.993 1.00 63.21 N ATOM 477 CE2 TRP A 30 -19.148 -23.855 -14.273 1.00 41.13 C ATOM 478 CE3 TRP A 30 -18.780 -21.902 -12.900 1.00 32.12 C ATOM 479 CZ2 TRP A 30 -17.839 -24.290 -14.084 1.00 33.15 C ATOM 480 CZ3 TRP A 30 -17.481 -22.336 -12.712 1.00 74.10 C ATOM 481 CH2 TRP A 30 -17.021 -23.520 -13.303 1.00 13.25 C ATOM 0 HA TRP A 30 -22.143 -22.183 -11.723 1.00 65.30 H new ATOM 0 HB2 TRP A 30 -22.612 -21.228 -14.564 1.00 63.40 H new ATOM 0 HB3 TRP A 30 -21.371 -20.516 -13.552 1.00 63.40 H new ATOM 0 HD1 TRP A 30 -22.236 -23.813 -15.350 1.00 60.33 H new ATOM 0 HE1 TRP A 30 -20.116 -25.283 -15.525 1.00 63.21 H new ATOM 0 HE3 TRP A 30 -19.125 -20.987 -12.442 1.00 32.12 H new ATOM 0 HZ2 TRP A 30 -17.482 -25.203 -14.538 1.00 33.15 H new ATOM 0 HZ3 TRP A 30 -16.810 -21.753 -12.099 1.00 74.10 H new ATOM 0 HH2 TRP A 30 -16.000 -23.831 -13.139 1.00 13.25 H new ATOM 492 N LYS A 31 -22.633 -19.816 -11.005 1.00 41.53 N ATOM 493 CA LYS A 31 -23.077 -18.572 -10.389 1.00 0.41 C ATOM 494 C LYS A 31 -22.148 -17.419 -10.756 1.00 4.13 C ATOM 495 O LYS A 31 -20.924 -17.563 -10.731 1.00 64.43 O ATOM 496 CB LYS A 31 -23.139 -18.726 -8.867 1.00 25.53 C ATOM 497 CG LYS A 31 -24.321 -19.550 -8.386 1.00 44.14 C ATOM 498 CD LYS A 31 -25.636 -18.826 -8.621 1.00 62.10 C ATOM 499 CE LYS A 31 -26.767 -19.453 -7.820 1.00 60.12 C ATOM 500 NZ LYS A 31 -27.077 -20.833 -8.285 1.00 23.53 N ATOM 0 H LYS A 31 -21.727 -20.150 -10.676 1.00 41.53 H new ATOM 0 HA LYS A 31 -24.074 -18.346 -10.767 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -22.217 -19.192 -8.520 1.00 25.53 H new ATOM 0 HB3 LYS A 31 -23.187 -17.737 -8.412 1.00 25.53 H new ATOM 0 HG2 LYS A 31 -24.334 -20.508 -8.906 1.00 44.14 H new ATOM 0 HG3 LYS A 31 -24.208 -19.765 -7.324 1.00 44.14 H new ATOM 0 HD2 LYS A 31 -25.530 -17.777 -8.344 1.00 62.10 H new ATOM 0 HD3 LYS A 31 -25.882 -18.852 -9.682 1.00 62.10 H new ATOM 0 HE2 LYS A 31 -26.494 -19.478 -6.765 1.00 60.12 H new ATOM 0 HE3 LYS A 31 -27.659 -18.832 -7.904 1.00 60.12 H new ATOM 0 HZ1 LYS A 31 -27.853 -21.226 -7.714 1.00 23.53 H new ATOM 0 HZ2 LYS A 31 -27.362 -20.807 -9.285 1.00 23.53 H new ATOM 0 HZ3 LYS A 31 -26.233 -21.432 -8.181 1.00 23.53 H new ATOM 514 N LEU A 32 -22.733 -16.276 -11.093 1.00 74.02 N ATOM 515 CA LEU A 32 -21.958 -15.098 -11.464 1.00 24.43 C ATOM 516 C LEU A 32 -22.352 -13.896 -10.612 1.00 0.14 C ATOM 517 O LEU A 32 -23.530 -13.559 -10.505 1.00 34.22 O ATOM 518 CB LEU A 32 -22.159 -14.775 -12.946 1.00 33.33 C ATOM 519 CG LEU A 32 -21.385 -13.571 -13.482 1.00 13.51 C ATOM 520 CD1 LEU A 32 -22.130 -12.280 -13.178 1.00 61.10 C ATOM 521 CD2 LEU A 32 -19.984 -13.531 -12.891 1.00 23.42 C ATOM 0 H LEU A 32 -23.744 -16.140 -11.117 1.00 74.02 H new ATOM 0 HA LEU A 32 -20.905 -15.317 -11.286 1.00 24.43 H new ATOM 0 HB2 LEU A 32 -21.877 -15.652 -13.530 1.00 33.33 H new ATOM 0 HB3 LEU A 32 -23.222 -14.605 -13.119 1.00 33.33 H new ATOM 0 HG LEU A 32 -21.298 -13.671 -14.564 1.00 13.51 H new ATOM 0 HD11 LEU A 32 -21.564 -11.433 -13.567 1.00 61.10 H new ATOM 0 HD12 LEU A 32 -23.112 -12.307 -13.649 1.00 61.10 H new ATOM 0 HD13 LEU A 32 -22.248 -12.173 -12.100 1.00 61.10 H new ATOM 0 HD21 LEU A 32 -19.448 -12.667 -13.284 1.00 23.42 H new ATOM 0 HD22 LEU A 32 -20.049 -13.455 -11.806 1.00 23.42 H new ATOM 0 HD23 LEU A 32 -19.450 -14.442 -13.159 1.00 23.42 H new ATOM 533 N GLU A 33 -21.356 -13.253 -10.009 1.00 0.23 N ATOM 534 CA GLU A 33 -21.600 -12.088 -9.167 1.00 50.52 C ATOM 535 C GLU A 33 -20.649 -10.949 -9.526 1.00 11.21 C ATOM 536 O GLU A 33 -19.468 -10.977 -9.174 1.00 73.52 O ATOM 537 CB GLU A 33 -21.440 -12.455 -7.690 1.00 2.20 C ATOM 538 CG GLU A 33 -21.461 -11.254 -6.759 1.00 64.42 C ATOM 539 CD GLU A 33 -22.759 -10.475 -6.842 1.00 1.22 C ATOM 540 OE1 GLU A 33 -23.029 -9.885 -7.909 1.00 51.21 O ATOM 541 OE2 GLU A 33 -23.504 -10.454 -5.840 1.00 3.12 O ATOM 0 H GLU A 33 -20.374 -13.519 -10.088 1.00 0.23 H new ATOM 0 HA GLU A 33 -22.623 -11.753 -9.341 1.00 50.52 H new ATOM 0 HB2 GLU A 33 -22.240 -13.139 -7.405 1.00 2.20 H new ATOM 0 HB3 GLU A 33 -20.500 -12.991 -7.557 1.00 2.20 H new ATOM 0 HG2 GLU A 33 -21.309 -11.591 -5.734 1.00 64.42 H new ATOM 0 HG3 GLU A 33 -20.629 -10.594 -7.004 1.00 64.42 H new ATOM 548 N PHE A 34 -21.170 -9.949 -10.228 1.00 73.12 N ATOM 549 CA PHE A 34 -20.368 -8.801 -10.636 1.00 14.23 C ATOM 550 C PHE A 34 -20.323 -7.749 -9.532 1.00 32.42 C ATOM 551 O PHE A 34 -21.332 -7.470 -8.885 1.00 30.22 O ATOM 552 CB PHE A 34 -20.934 -8.187 -11.918 1.00 34.13 C ATOM 553 CG PHE A 34 -22.366 -7.752 -11.794 1.00 35.41 C ATOM 554 CD1 PHE A 34 -22.684 -6.513 -11.260 1.00 62.32 C ATOM 555 CD2 PHE A 34 -23.395 -8.582 -12.210 1.00 42.43 C ATOM 556 CE1 PHE A 34 -24.001 -6.111 -11.144 1.00 33.15 C ATOM 557 CE2 PHE A 34 -24.714 -8.185 -12.097 1.00 1.41 C ATOM 558 CZ PHE A 34 -25.018 -6.948 -11.563 1.00 44.43 C ATOM 0 H PHE A 34 -22.145 -9.910 -10.527 1.00 73.12 H new ATOM 0 HA PHE A 34 -19.352 -9.148 -10.825 1.00 14.23 H new ATOM 0 HB2 PHE A 34 -20.325 -7.328 -12.199 1.00 34.13 H new ATOM 0 HB3 PHE A 34 -20.852 -8.914 -12.726 1.00 34.13 H new ATOM 0 HD1 PHE A 34 -21.894 -5.855 -10.931 1.00 62.32 H new ATOM 0 HD2 PHE A 34 -23.163 -9.551 -12.628 1.00 42.43 H new ATOM 0 HE1 PHE A 34 -24.236 -5.143 -10.726 1.00 33.15 H new ATOM 0 HE2 PHE A 34 -25.506 -8.841 -12.426 1.00 1.41 H new ATOM 0 HZ PHE A 34 -26.048 -6.636 -11.473 1.00 44.43 H new ATOM 568 N GLU A 35 -19.145 -7.169 -9.322 1.00 64.53 N ATOM 569 CA GLU A 35 -18.967 -6.149 -8.295 1.00 72.42 C ATOM 570 C GLU A 35 -19.724 -4.875 -8.659 1.00 2.23 C ATOM 571 O GLU A 35 -20.072 -4.638 -9.816 1.00 51.44 O ATOM 572 CB GLU A 35 -17.482 -5.837 -8.107 1.00 32.12 C ATOM 573 CG GLU A 35 -16.790 -6.753 -7.111 1.00 10.14 C ATOM 574 CD GLU A 35 -17.418 -6.696 -5.732 1.00 2.44 C ATOM 575 OE1 GLU A 35 -18.382 -7.451 -5.488 1.00 61.21 O ATOM 576 OE2 GLU A 35 -16.946 -5.897 -4.897 1.00 0.52 O ATOM 0 H GLU A 35 -18.300 -7.388 -9.849 1.00 64.53 H new ATOM 0 HA GLU A 35 -19.370 -6.537 -7.359 1.00 72.42 H new ATOM 0 HB2 GLU A 35 -16.978 -5.915 -9.070 1.00 32.12 H new ATOM 0 HB3 GLU A 35 -17.375 -4.805 -7.774 1.00 32.12 H new ATOM 0 HG2 GLU A 35 -16.826 -7.778 -7.480 1.00 10.14 H new ATOM 0 HG3 GLU A 35 -15.738 -6.477 -7.039 1.00 10.14 H new ATOM 946 N LEU A 60 -26.306 -12.845 -10.493 1.00 42.21 N ATOM 947 CA LEU A 60 -26.765 -13.390 -11.766 1.00 43.34 C ATOM 948 C LEU A 60 -26.308 -14.835 -11.937 1.00 2.24 C ATOM 949 O LEU A 60 -25.118 -15.136 -11.839 1.00 50.00 O ATOM 950 CB LEU A 60 -26.244 -12.538 -12.925 1.00 24.53 C ATOM 951 CG LEU A 60 -26.268 -13.196 -14.306 1.00 2.43 C ATOM 952 CD1 LEU A 60 -27.685 -13.598 -14.680 1.00 74.31 C ATOM 953 CD2 LEU A 60 -25.683 -12.260 -15.353 1.00 23.00 C ATOM 0 HA LEU A 60 -27.855 -13.371 -11.769 1.00 43.34 H new ATOM 0 HB2 LEU A 60 -26.834 -11.623 -12.971 1.00 24.53 H new ATOM 0 HB3 LEU A 60 -25.218 -12.245 -12.702 1.00 24.53 H new ATOM 0 HG LEU A 60 -25.654 -14.096 -14.270 1.00 2.43 H new ATOM 0 HD11 LEU A 60 -27.683 -14.064 -15.665 1.00 74.31 H new ATOM 0 HD12 LEU A 60 -28.069 -14.305 -13.945 1.00 74.31 H new ATOM 0 HD13 LEU A 60 -28.321 -12.713 -14.699 1.00 74.31 H new ATOM 0 HD21 LEU A 60 -25.708 -12.745 -16.329 1.00 23.00 H new ATOM 0 HD22 LEU A 60 -26.269 -11.342 -15.389 1.00 23.00 H new ATOM 0 HD23 LEU A 60 -24.652 -12.022 -15.093 1.00 23.00 H new ATOM 965 N SER A 61 -27.262 -15.725 -12.194 1.00 1.45 N ATOM 966 CA SER A 61 -26.957 -17.140 -12.376 1.00 53.31 C ATOM 967 C SER A 61 -26.737 -17.462 -13.851 1.00 10.03 C ATOM 968 O SER A 61 -27.197 -16.736 -14.732 1.00 70.44 O ATOM 969 CB SER A 61 -28.090 -18.002 -11.817 1.00 63.42 C ATOM 970 OG SER A 61 -29.277 -17.837 -12.573 1.00 62.41 O ATOM 0 H SER A 61 -28.251 -15.492 -12.281 1.00 1.45 H new ATOM 0 HA SER A 61 -26.039 -17.363 -11.833 1.00 53.31 H new ATOM 0 HB2 SER A 61 -27.792 -19.050 -11.826 1.00 63.42 H new ATOM 0 HB3 SER A 61 -28.277 -17.733 -10.777 1.00 63.42 H new ATOM 0 HG SER A 61 -29.985 -18.400 -12.197 1.00 62.41 H new ATOM 976 N PHE A 62 -26.028 -18.556 -14.111 1.00 34.20 N ATOM 977 CA PHE A 62 -25.746 -18.975 -15.478 1.00 24.13 C ATOM 978 C PHE A 62 -25.811 -20.495 -15.606 1.00 4.21 C ATOM 979 O PHE A 62 -25.378 -21.224 -14.712 1.00 74.03 O ATOM 980 CB PHE A 62 -24.366 -18.475 -15.913 1.00 72.11 C ATOM 981 CG PHE A 62 -24.372 -17.055 -16.404 1.00 63.22 C ATOM 982 CD1 PHE A 62 -24.950 -16.731 -17.620 1.00 72.43 C ATOM 983 CD2 PHE A 62 -23.798 -16.045 -15.649 1.00 64.42 C ATOM 984 CE1 PHE A 62 -24.955 -15.426 -18.076 1.00 35.21 C ATOM 985 CE2 PHE A 62 -23.801 -14.737 -16.099 1.00 30.32 C ATOM 986 CZ PHE A 62 -24.382 -14.428 -17.314 1.00 1.24 C ATOM 0 H PHE A 62 -25.639 -19.167 -13.393 1.00 34.20 H new ATOM 0 HA PHE A 62 -26.505 -18.540 -16.128 1.00 24.13 H new ATOM 0 HB2 PHE A 62 -23.677 -18.558 -15.073 1.00 72.11 H new ATOM 0 HB3 PHE A 62 -23.986 -19.123 -16.703 1.00 72.11 H new ATOM 0 HD1 PHE A 62 -25.402 -17.507 -18.219 1.00 72.43 H new ATOM 0 HD2 PHE A 62 -23.343 -16.282 -14.698 1.00 64.42 H new ATOM 0 HE1 PHE A 62 -25.407 -15.188 -19.028 1.00 35.21 H new ATOM 0 HE2 PHE A 62 -23.350 -13.958 -15.502 1.00 30.32 H new ATOM 0 HZ PHE A 62 -24.388 -13.407 -17.667 1.00 1.24 H new ATOM 996 N THR A 63 -26.354 -20.966 -16.724 1.00 11.14 N ATOM 997 CA THR A 63 -26.478 -22.398 -16.969 1.00 15.14 C ATOM 998 C THR A 63 -25.122 -23.024 -17.269 1.00 4.33 C ATOM 999 O THR A 63 -24.813 -24.119 -16.798 1.00 25.02 O ATOM 1000 CB THR A 63 -27.435 -22.686 -18.141 1.00 11.34 C ATOM 1001 OG1 THR A 63 -28.367 -21.609 -18.288 1.00 74.51 O ATOM 1002 CG2 THR A 63 -28.188 -23.989 -17.917 1.00 21.24 C ATOM 0 H THR A 63 -26.715 -20.377 -17.474 1.00 11.14 H new ATOM 0 HA THR A 63 -26.885 -22.840 -16.060 1.00 15.14 H new ATOM 0 HB THR A 63 -26.842 -22.780 -19.051 1.00 11.34 H new ATOM 0 HG1 THR A 63 -28.971 -21.799 -19.036 1.00 74.51 H new ATOM 0 HG21 THR A 63 -28.858 -24.171 -18.757 1.00 21.24 H new ATOM 0 HG22 THR A 63 -27.477 -24.811 -17.835 1.00 21.24 H new ATOM 0 HG23 THR A 63 -28.770 -23.920 -16.998 1.00 21.24 H new ATOM 1010 N THR A 64 -24.311 -22.321 -18.055 1.00 53.20 N ATOM 1011 CA THR A 64 -22.987 -22.808 -18.418 1.00 41.21 C ATOM 1012 C THR A 64 -21.947 -21.698 -18.321 1.00 63.02 C ATOM 1013 O THR A 64 -22.255 -20.525 -18.536 1.00 74.12 O ATOM 1014 CB THR A 64 -22.972 -23.386 -19.846 1.00 34.22 C ATOM 1015 OG1 THR A 64 -23.749 -22.557 -20.718 1.00 10.24 O ATOM 1016 CG2 THR A 64 -23.525 -24.804 -19.861 1.00 51.41 C ATOM 0 H THR A 64 -24.549 -21.412 -18.452 1.00 53.20 H new ATOM 0 HA THR A 64 -22.737 -23.599 -17.711 1.00 41.21 H new ATOM 0 HB THR A 64 -21.939 -23.411 -20.194 1.00 34.22 H new ATOM 0 HG1 THR A 64 -23.733 -22.930 -21.624 1.00 10.24 H new ATOM 0 HG21 THR A 64 -23.505 -25.192 -20.880 1.00 51.41 H new ATOM 0 HG22 THR A 64 -22.915 -25.439 -19.219 1.00 51.41 H new ATOM 0 HG23 THR A 64 -24.552 -24.798 -19.496 1.00 51.41 H new ATOM 1024 N ARG A 65 -20.714 -22.074 -17.999 1.00 32.54 N ATOM 1025 CA ARG A 65 -19.629 -21.109 -17.874 1.00 4.24 C ATOM 1026 C ARG A 65 -19.498 -20.271 -19.142 1.00 24.13 C ATOM 1027 O ARG A 65 -19.281 -19.062 -19.077 1.00 55.23 O ATOM 1028 CB ARG A 65 -18.309 -21.828 -17.586 1.00 21.33 C ATOM 1029 CG ARG A 65 -18.064 -23.032 -18.481 1.00 5.01 C ATOM 1030 CD ARG A 65 -16.668 -23.602 -18.279 1.00 40.52 C ATOM 1031 NE ARG A 65 -16.654 -24.673 -17.287 1.00 22.42 N ATOM 1032 CZ ARG A 65 -17.126 -25.894 -17.517 1.00 3.02 C ATOM 1033 NH1 ARG A 65 -17.646 -26.195 -18.699 1.00 24.30 N ATOM 1034 NH2 ARG A 65 -17.077 -26.816 -16.565 1.00 34.11 N ATOM 0 H ARG A 65 -20.442 -23.040 -17.820 1.00 32.54 H new ATOM 0 HA ARG A 65 -19.862 -20.444 -17.042 1.00 4.24 H new ATOM 0 HB2 ARG A 65 -17.487 -21.123 -17.707 1.00 21.33 H new ATOM 0 HB3 ARG A 65 -18.301 -22.152 -16.545 1.00 21.33 H new ATOM 0 HG2 ARG A 65 -18.806 -23.801 -18.269 1.00 5.01 H new ATOM 0 HG3 ARG A 65 -18.193 -22.743 -19.524 1.00 5.01 H new ATOM 0 HD2 ARG A 65 -16.290 -23.982 -19.228 1.00 40.52 H new ATOM 0 HD3 ARG A 65 -15.993 -22.806 -17.963 1.00 40.52 H new ATOM 0 HE ARG A 65 -16.261 -24.473 -16.367 1.00 22.42 H new ATOM 0 HH11 ARG A 65 -17.684 -25.489 -19.434 1.00 24.30 H new ATOM 0 HH12 ARG A 65 -18.008 -27.133 -18.873 1.00 24.30 H new ATOM 0 HH21 ARG A 65 -16.677 -26.589 -15.655 1.00 34.11 H new ATOM 0 HH22 ARG A 65 -17.440 -27.753 -16.743 1.00 34.11 H new ATOM 1048 N GLU A 66 -19.627 -20.923 -20.292 1.00 75.52 N ATOM 1049 CA GLU A 66 -19.523 -20.238 -21.575 1.00 64.04 C ATOM 1050 C GLU A 66 -20.443 -19.022 -21.619 1.00 14.32 C ATOM 1051 O GLU A 66 -20.141 -18.023 -22.274 1.00 74.53 O ATOM 1052 CB GLU A 66 -19.868 -21.193 -22.720 1.00 4.14 C ATOM 1053 CG GLU A 66 -21.316 -21.650 -22.715 1.00 71.34 C ATOM 1054 CD GLU A 66 -21.572 -22.786 -23.687 1.00 12.24 C ATOM 1055 OE1 GLU A 66 -21.271 -23.946 -23.334 1.00 61.44 O ATOM 1056 OE2 GLU A 66 -22.073 -22.516 -24.798 1.00 23.55 O ATOM 0 H GLU A 66 -19.804 -21.925 -20.362 1.00 75.52 H new ATOM 0 HA GLU A 66 -18.494 -19.899 -21.693 1.00 64.04 H new ATOM 0 HB2 GLU A 66 -19.654 -20.701 -23.669 1.00 4.14 H new ATOM 0 HB3 GLU A 66 -19.220 -22.067 -22.661 1.00 4.14 H new ATOM 0 HG2 GLU A 66 -21.589 -21.969 -21.709 1.00 71.34 H new ATOM 0 HG3 GLU A 66 -21.960 -20.808 -22.968 1.00 71.34 H new ATOM 1063 N LEU A 67 -21.567 -19.112 -20.917 1.00 71.31 N ATOM 1064 CA LEU A 67 -22.534 -18.021 -20.875 1.00 41.32 C ATOM 1065 C LEU A 67 -22.099 -16.946 -19.885 1.00 1.44 C ATOM 1066 O LEU A 67 -22.282 -15.753 -20.127 1.00 23.00 O ATOM 1067 CB LEU A 67 -23.916 -18.551 -20.494 1.00 75.11 C ATOM 1068 CG LEU A 67 -24.813 -18.987 -21.654 1.00 5.42 C ATOM 1069 CD1 LEU A 67 -25.902 -19.927 -21.163 1.00 70.23 C ATOM 1070 CD2 LEU A 67 -25.421 -17.774 -22.341 1.00 73.03 C ATOM 0 H LEU A 67 -21.831 -19.930 -20.368 1.00 71.31 H new ATOM 0 HA LEU A 67 -22.584 -17.576 -21.869 1.00 41.32 H new ATOM 0 HB2 LEU A 67 -23.785 -19.400 -19.824 1.00 75.11 H new ATOM 0 HB3 LEU A 67 -24.437 -17.777 -19.930 1.00 75.11 H new ATOM 0 HG LEU A 67 -24.202 -19.523 -22.380 1.00 5.42 H new ATOM 0 HD11 LEU A 67 -26.530 -20.226 -22.002 1.00 70.23 H new ATOM 0 HD12 LEU A 67 -25.446 -20.811 -20.718 1.00 70.23 H new ATOM 0 HD13 LEU A 67 -26.512 -19.419 -20.417 1.00 70.23 H new ATOM 0 HD21 LEU A 67 -26.056 -18.102 -23.164 1.00 73.03 H new ATOM 0 HD22 LEU A 67 -26.018 -17.211 -21.624 1.00 73.03 H new ATOM 0 HD23 LEU A 67 -24.625 -17.138 -22.729 1.00 73.03 H new ATOM 1082 N ALA A 68 -21.519 -17.376 -18.769 1.00 21.31 N ATOM 1083 CA ALA A 68 -21.053 -16.450 -17.744 1.00 31.24 C ATOM 1084 C ALA A 68 -19.896 -15.599 -18.258 1.00 22.14 C ATOM 1085 O ALA A 68 -20.010 -14.378 -18.361 1.00 42.03 O ATOM 1086 CB ALA A 68 -20.636 -17.212 -16.495 1.00 11.11 C ATOM 0 H ALA A 68 -21.361 -18.360 -18.552 1.00 21.31 H new ATOM 0 HA ALA A 68 -21.876 -15.782 -17.491 1.00 31.24 H new ATOM 0 HB1 ALA A 68 -20.290 -16.508 -15.738 1.00 11.11 H new ATOM 0 HB2 ALA A 68 -21.488 -17.771 -16.108 1.00 11.11 H new ATOM 0 HB3 ALA A 68 -19.831 -17.903 -16.743 1.00 11.11 H new ATOM 1092 N ILE A 69 -18.783 -16.252 -18.576 1.00 72.41 N ATOM 1093 CA ILE A 69 -17.606 -15.555 -19.079 1.00 72.23 C ATOM 1094 C ILE A 69 -17.954 -14.691 -20.287 1.00 53.24 C ATOM 1095 O ILE A 69 -17.392 -13.611 -20.472 1.00 21.25 O ATOM 1096 CB ILE A 69 -16.492 -16.543 -19.474 1.00 13.45 C ATOM 1097 CG1 ILE A 69 -16.045 -17.352 -18.255 1.00 30.53 C ATOM 1098 CG2 ILE A 69 -15.314 -15.797 -20.081 1.00 72.45 C ATOM 1099 CD1 ILE A 69 -16.511 -18.792 -18.282 1.00 43.14 C ATOM 0 H ILE A 69 -18.672 -17.263 -18.494 1.00 72.41 H new ATOM 0 HA ILE A 69 -17.247 -14.919 -18.270 1.00 72.23 H new ATOM 0 HB ILE A 69 -16.885 -17.232 -20.222 1.00 13.45 H new ATOM 0 HG12 ILE A 69 -14.957 -17.332 -18.194 1.00 30.53 H new ATOM 0 HG13 ILE A 69 -16.424 -16.873 -17.352 1.00 30.53 H new ATOM 0 HG21 ILE A 69 -14.535 -16.508 -20.355 1.00 72.45 H new ATOM 0 HG22 ILE A 69 -15.643 -15.259 -20.970 1.00 72.45 H new ATOM 0 HG23 ILE A 69 -14.918 -15.088 -19.354 1.00 72.45 H new ATOM 0 HD11 ILE A 69 -16.158 -19.305 -17.388 1.00 43.14 H new ATOM 0 HD12 ILE A 69 -17.600 -18.821 -18.311 1.00 43.14 H new ATOM 0 HD13 ILE A 69 -16.111 -19.287 -19.167 1.00 43.14 H new ATOM 1111 N ALA A 70 -18.885 -15.171 -21.104 1.00 73.24 N ATOM 1112 CA ALA A 70 -19.311 -14.441 -22.291 1.00 41.34 C ATOM 1113 C ALA A 70 -19.858 -13.066 -21.924 1.00 11.34 C ATOM 1114 O ALA A 70 -19.877 -12.153 -22.749 1.00 42.14 O ATOM 1115 CB ALA A 70 -20.356 -15.239 -23.056 1.00 71.33 C ATOM 0 H ALA A 70 -19.359 -16.063 -20.965 1.00 73.24 H new ATOM 0 HA ALA A 70 -18.440 -14.298 -22.930 1.00 41.34 H new ATOM 0 HB1 ALA A 70 -20.665 -14.681 -23.940 1.00 71.33 H new ATOM 0 HB2 ALA A 70 -19.932 -16.196 -23.361 1.00 71.33 H new ATOM 0 HB3 ALA A 70 -21.221 -15.413 -22.416 1.00 71.33 H new ATOM 1121 N TYR A 71 -20.302 -12.925 -20.679 1.00 72.01 N ATOM 1122 CA TYR A 71 -20.852 -11.662 -20.202 1.00 61.25 C ATOM 1123 C TYR A 71 -19.739 -10.686 -19.833 1.00 21.32 C ATOM 1124 O TYR A 71 -19.752 -9.526 -20.244 1.00 73.20 O ATOM 1125 CB TYR A 71 -21.759 -11.899 -18.994 1.00 63.30 C ATOM 1126 CG TYR A 71 -22.651 -10.724 -18.666 1.00 53.11 C ATOM 1127 CD1 TYR A 71 -23.328 -10.040 -19.667 1.00 52.32 C ATOM 1128 CD2 TYR A 71 -22.818 -10.299 -17.353 1.00 73.12 C ATOM 1129 CE1 TYR A 71 -24.145 -8.965 -19.372 1.00 0.22 C ATOM 1130 CE2 TYR A 71 -23.634 -9.226 -17.049 1.00 31.14 C ATOM 1131 CZ TYR A 71 -24.294 -8.562 -18.061 1.00 32.03 C ATOM 1132 OH TYR A 71 -25.107 -7.493 -17.763 1.00 12.41 O ATOM 0 H TYR A 71 -20.291 -13.670 -19.983 1.00 72.01 H new ATOM 0 HA TYR A 71 -21.440 -11.225 -21.009 1.00 61.25 H new ATOM 0 HB2 TYR A 71 -22.380 -12.774 -19.183 1.00 63.30 H new ATOM 0 HB3 TYR A 71 -21.141 -12.129 -18.126 1.00 63.30 H new ATOM 0 HD1 TYR A 71 -23.214 -10.354 -20.694 1.00 52.32 H new ATOM 0 HD2 TYR A 71 -22.302 -10.816 -16.558 1.00 73.12 H new ATOM 0 HE1 TYR A 71 -24.664 -8.444 -20.163 1.00 0.22 H new ATOM 0 HE2 TYR A 71 -23.754 -8.909 -16.024 1.00 31.14 H new ATOM 0 HH TYR A 71 -25.104 -7.339 -16.795 1.00 12.41 H new ATOM 1142 N ALA A 72 -18.775 -11.168 -19.055 1.00 4.32 N ATOM 1143 CA ALA A 72 -17.651 -10.341 -18.631 1.00 71.11 C ATOM 1144 C ALA A 72 -16.784 -9.941 -19.821 1.00 31.33 C ATOM 1145 O ALA A 72 -16.512 -8.760 -20.035 1.00 51.22 O ATOM 1146 CB ALA A 72 -16.818 -11.075 -17.591 1.00 41.11 C ATOM 0 H ALA A 72 -18.750 -12.126 -18.706 1.00 4.32 H new ATOM 0 HA ALA A 72 -18.050 -9.431 -18.184 1.00 71.11 H new ATOM 0 HB1 ALA A 72 -15.983 -10.446 -17.284 1.00 41.11 H new ATOM 0 HB2 ALA A 72 -17.438 -11.304 -16.724 1.00 41.11 H new ATOM 0 HB3 ALA A 72 -16.436 -12.002 -18.019 1.00 41.11 H new ATOM 1152 N VAL A 73 -16.351 -10.934 -20.591 1.00 74.45 N ATOM 1153 CA VAL A 73 -15.515 -10.687 -21.759 1.00 70.12 C ATOM 1154 C VAL A 73 -16.138 -9.633 -22.668 1.00 1.02 C ATOM 1155 O VAL A 73 -15.432 -8.893 -23.352 1.00 72.43 O ATOM 1156 CB VAL A 73 -15.286 -11.976 -22.569 1.00 31.22 C ATOM 1157 CG1 VAL A 73 -14.446 -11.690 -23.805 1.00 12.20 C ATOM 1158 CG2 VAL A 73 -14.628 -13.040 -21.703 1.00 3.54 C ATOM 0 H VAL A 73 -16.566 -11.918 -20.427 1.00 74.45 H new ATOM 0 HA VAL A 73 -14.556 -10.324 -21.390 1.00 70.12 H new ATOM 0 HB VAL A 73 -16.254 -12.354 -22.897 1.00 31.22 H new ATOM 0 HG11 VAL A 73 -14.295 -12.613 -24.364 1.00 12.20 H new ATOM 0 HG12 VAL A 73 -14.961 -10.964 -24.435 1.00 12.20 H new ATOM 0 HG13 VAL A 73 -13.479 -11.287 -23.503 1.00 12.20 H new ATOM 0 HG21 VAL A 73 -14.474 -13.944 -22.292 1.00 3.54 H new ATOM 0 HG22 VAL A 73 -13.667 -12.673 -21.343 1.00 3.54 H new ATOM 0 HG23 VAL A 73 -15.271 -13.266 -20.853 1.00 3.54 H new ATOM 1168 N ALA A 74 -17.466 -9.571 -22.669 1.00 32.44 N ATOM 1169 CA ALA A 74 -18.185 -8.607 -23.492 1.00 51.41 C ATOM 1170 C ALA A 74 -17.694 -7.186 -23.228 1.00 72.40 C ATOM 1171 O ALA A 74 -17.771 -6.321 -24.101 1.00 2.21 O ATOM 1172 CB ALA A 74 -19.681 -8.706 -23.236 1.00 54.32 C ATOM 0 H ALA A 74 -18.065 -10.177 -22.109 1.00 32.44 H new ATOM 0 HA ALA A 74 -17.990 -8.843 -24.538 1.00 51.41 H new ATOM 0 HB1 ALA A 74 -20.205 -7.980 -23.858 1.00 54.32 H new ATOM 0 HB2 ALA A 74 -20.026 -9.710 -23.481 1.00 54.32 H new ATOM 0 HB3 ALA A 74 -19.885 -8.499 -22.186 1.00 54.32 H new ATOM 1178 N HIS A 75 -17.191 -6.954 -22.019 1.00 70.35 N ATOM 1179 CA HIS A 75 -16.689 -5.638 -21.642 1.00 4.11 C ATOM 1180 C HIS A 75 -15.257 -5.733 -21.123 1.00 14.42 C ATOM 1181 O HIS A 75 -14.807 -4.882 -20.355 1.00 10.35 O ATOM 1182 CB HIS A 75 -17.589 -5.011 -20.578 1.00 31.31 C ATOM 1183 CG HIS A 75 -18.990 -4.762 -21.049 1.00 4.24 C ATOM 1184 ND1 HIS A 75 -19.937 -5.758 -21.155 1.00 0.42 N ATOM 1185 CD2 HIS A 75 -19.601 -3.620 -21.442 1.00 31.10 C ATOM 1186 CE1 HIS A 75 -21.069 -5.241 -21.594 1.00 75.23 C ATOM 1187 NE2 HIS A 75 -20.893 -3.944 -21.776 1.00 30.40 N ATOM 0 H HIS A 75 -17.121 -7.659 -21.285 1.00 70.35 H new ATOM 0 HA HIS A 75 -16.695 -5.005 -22.530 1.00 4.11 H new ATOM 0 HB2 HIS A 75 -17.618 -5.666 -19.707 1.00 31.31 H new ATOM 0 HB3 HIS A 75 -17.151 -4.067 -20.253 1.00 31.31 H new ATOM 0 HD2 HIS A 75 -19.155 -2.637 -21.485 1.00 31.10 H new ATOM 0 HE1 HIS A 75 -21.984 -5.786 -21.774 1.00 75.23 H new ATOM 0 HE2 HIS A 75 -21.601 -3.290 -22.110 1.00 30.40 H new ATOM 1195 N LYS A 76 -14.546 -6.772 -21.546 1.00 33.01 N ATOM 1196 CA LYS A 76 -13.166 -6.979 -21.124 1.00 60.24 C ATOM 1197 C LYS A 76 -13.046 -6.921 -19.605 1.00 54.12 C ATOM 1198 O LYS A 76 -12.083 -6.370 -19.069 1.00 74.23 O ATOM 1199 CB LYS A 76 -12.255 -5.926 -21.759 1.00 3.25 C ATOM 1200 CG LYS A 76 -10.822 -6.394 -21.944 1.00 10.12 C ATOM 1201 CD LYS A 76 -10.573 -6.880 -23.362 1.00 41.21 C ATOM 1202 CE LYS A 76 -10.847 -8.370 -23.497 1.00 34.33 C ATOM 1203 NZ LYS A 76 -9.786 -9.191 -22.852 1.00 13.22 N ATOM 0 H LYS A 76 -14.903 -7.485 -22.182 1.00 33.01 H new ATOM 0 HA LYS A 76 -12.855 -7.969 -21.457 1.00 60.24 H new ATOM 0 HB2 LYS A 76 -12.664 -5.641 -22.729 1.00 3.25 H new ATOM 0 HB3 LYS A 76 -12.259 -5.031 -21.136 1.00 3.25 H new ATOM 0 HG2 LYS A 76 -10.139 -5.577 -21.713 1.00 10.12 H new ATOM 0 HG3 LYS A 76 -10.607 -7.198 -21.240 1.00 10.12 H new ATOM 0 HD2 LYS A 76 -11.209 -6.328 -24.054 1.00 41.21 H new ATOM 0 HD3 LYS A 76 -9.541 -6.672 -23.643 1.00 41.21 H new ATOM 0 HE2 LYS A 76 -11.811 -8.604 -23.046 1.00 34.33 H new ATOM 0 HE3 LYS A 76 -10.917 -8.632 -24.553 1.00 34.33 H new ATOM 0 HZ1 LYS A 76 -9.854 -10.173 -23.189 1.00 13.22 H new ATOM 0 HZ2 LYS A 76 -8.852 -8.805 -23.096 1.00 13.22 H new ATOM 0 HZ3 LYS A 76 -9.910 -9.170 -21.820 1.00 13.22 H new ATOM 1217 N ILE A 77 -14.028 -7.493 -18.916 1.00 52.34 N ATOM 1218 CA ILE A 77 -14.031 -7.507 -17.458 1.00 12.10 C ATOM 1219 C ILE A 77 -13.270 -8.713 -16.919 1.00 23.34 C ATOM 1220 O ILE A 77 -13.344 -9.808 -17.479 1.00 52.32 O ATOM 1221 CB ILE A 77 -15.465 -7.528 -16.898 1.00 53.20 C ATOM 1222 CG1 ILE A 77 -16.244 -6.304 -17.386 1.00 31.14 C ATOM 1223 CG2 ILE A 77 -15.439 -7.575 -15.377 1.00 41.15 C ATOM 1224 CD1 ILE A 77 -17.738 -6.415 -17.174 1.00 43.31 C ATOM 0 H ILE A 77 -14.832 -7.953 -19.344 1.00 52.34 H new ATOM 0 HA ILE A 77 -13.536 -6.592 -17.133 1.00 12.10 H new ATOM 0 HB ILE A 77 -15.968 -8.424 -17.261 1.00 53.20 H new ATOM 0 HG12 ILE A 77 -15.876 -5.419 -16.867 1.00 31.14 H new ATOM 0 HG13 ILE A 77 -16.046 -6.157 -18.448 1.00 31.14 H new ATOM 0 HG21 ILE A 77 -16.460 -7.589 -14.996 1.00 41.15 H new ATOM 0 HG22 ILE A 77 -14.917 -8.474 -15.050 1.00 41.15 H new ATOM 0 HG23 ILE A 77 -14.921 -6.695 -14.995 1.00 41.15 H new ATOM 0 HD11 ILE A 77 -18.226 -5.513 -17.543 1.00 43.31 H new ATOM 0 HD12 ILE A 77 -18.119 -7.281 -17.716 1.00 43.31 H new ATOM 0 HD13 ILE A 77 -17.947 -6.531 -16.111 1.00 43.31 H new ATOM 1236 N ASP A 78 -12.538 -8.505 -15.830 1.00 33.52 N ATOM 1237 CA ASP A 78 -11.765 -9.577 -15.213 1.00 1.14 C ATOM 1238 C ASP A 78 -12.683 -10.589 -14.534 1.00 13.12 C ATOM 1239 O ASP A 78 -13.195 -10.343 -13.441 1.00 61.10 O ATOM 1240 CB ASP A 78 -10.779 -9.002 -14.195 1.00 52.53 C ATOM 1241 CG ASP A 78 -9.571 -9.894 -13.991 1.00 21.23 C ATOM 1242 OD1 ASP A 78 -9.317 -10.756 -14.859 1.00 4.41 O ATOM 1243 OD2 ASP A 78 -8.880 -9.732 -12.963 1.00 22.52 O ATOM 0 H ASP A 78 -12.464 -7.605 -15.356 1.00 33.52 H new ATOM 0 HA ASP A 78 -11.209 -10.088 -15.999 1.00 1.14 H new ATOM 0 HB2 ASP A 78 -10.448 -8.019 -14.529 1.00 52.53 H new ATOM 0 HB3 ASP A 78 -11.287 -8.860 -13.241 1.00 52.53 H new ATOM 1248 N TYR A 79 -12.889 -11.726 -15.189 1.00 21.33 N ATOM 1249 CA TYR A 79 -13.748 -12.773 -14.651 1.00 34.14 C ATOM 1250 C TYR A 79 -12.919 -13.878 -14.002 1.00 22.31 C ATOM 1251 O TYR A 79 -11.895 -14.301 -14.541 1.00 32.14 O ATOM 1252 CB TYR A 79 -14.625 -13.362 -15.757 1.00 55.44 C ATOM 1253 CG TYR A 79 -13.840 -14.043 -16.855 1.00 33.03 C ATOM 1254 CD1 TYR A 79 -13.455 -15.373 -16.737 1.00 34.23 C ATOM 1255 CD2 TYR A 79 -13.481 -13.358 -18.008 1.00 61.45 C ATOM 1256 CE1 TYR A 79 -12.738 -16.001 -17.736 1.00 23.11 C ATOM 1257 CE2 TYR A 79 -12.765 -13.978 -19.014 1.00 53.25 C ATOM 1258 CZ TYR A 79 -12.395 -15.299 -18.873 1.00 1.32 C ATOM 1259 OH TYR A 79 -11.680 -15.920 -19.871 1.00 41.20 O ATOM 0 H TYR A 79 -12.472 -11.946 -16.094 1.00 21.33 H new ATOM 0 HA TYR A 79 -14.387 -12.327 -13.889 1.00 34.14 H new ATOM 0 HB2 TYR A 79 -15.316 -14.081 -15.317 1.00 55.44 H new ATOM 0 HB3 TYR A 79 -15.228 -12.566 -16.193 1.00 55.44 H new ATOM 0 HD1 TYR A 79 -13.721 -15.925 -15.848 1.00 34.23 H new ATOM 0 HD2 TYR A 79 -13.766 -12.322 -18.121 1.00 61.45 H new ATOM 0 HE1 TYR A 79 -12.447 -17.036 -17.628 1.00 23.11 H new ATOM 0 HE2 TYR A 79 -12.497 -13.431 -19.906 1.00 53.25 H new ATOM 0 HH TYR A 79 -11.521 -15.287 -20.602 1.00 41.20 H new ATOM 1269 N THR A 80 -13.370 -14.344 -12.842 1.00 71.31 N ATOM 1270 CA THR A 80 -12.673 -15.400 -12.118 1.00 5.11 C ATOM 1271 C THR A 80 -13.564 -16.622 -11.935 1.00 11.01 C ATOM 1272 O THR A 80 -14.646 -16.533 -11.354 1.00 4.24 O ATOM 1273 CB THR A 80 -12.197 -14.913 -10.736 1.00 44.11 C ATOM 1274 OG1 THR A 80 -11.581 -15.991 -10.024 1.00 14.15 O ATOM 1275 CG2 THR A 80 -13.360 -14.361 -9.926 1.00 61.33 C ATOM 0 H THR A 80 -14.216 -14.006 -12.383 1.00 71.31 H new ATOM 0 HA THR A 80 -11.805 -15.674 -12.717 1.00 5.11 H new ATOM 0 HB THR A 80 -11.470 -14.115 -10.886 1.00 44.11 H new ATOM 0 HG1 THR A 80 -11.279 -15.674 -9.147 1.00 14.15 H new ATOM 0 HG21 THR A 80 -12.999 -14.024 -8.954 1.00 61.33 H new ATOM 0 HG22 THR A 80 -13.808 -13.522 -10.458 1.00 61.33 H new ATOM 0 HG23 THR A 80 -14.108 -15.142 -9.784 1.00 61.33 H new ATOM 1283 N VAL A 81 -13.102 -17.766 -12.432 1.00 65.12 N ATOM 1284 CA VAL A 81 -13.857 -19.008 -12.321 1.00 41.50 C ATOM 1285 C VAL A 81 -13.387 -19.831 -11.127 1.00 71.33 C ATOM 1286 O VAL A 81 -12.206 -20.162 -11.013 1.00 15.23 O ATOM 1287 CB VAL A 81 -13.730 -19.858 -13.599 1.00 22.40 C ATOM 1288 CG1 VAL A 81 -14.658 -21.061 -13.535 1.00 13.22 C ATOM 1289 CG2 VAL A 81 -14.021 -19.015 -14.831 1.00 13.35 C ATOM 0 H VAL A 81 -12.208 -17.858 -12.915 1.00 65.12 H new ATOM 0 HA VAL A 81 -14.902 -18.732 -12.180 1.00 41.50 H new ATOM 0 HB VAL A 81 -12.705 -20.223 -13.671 1.00 22.40 H new ATOM 0 HG11 VAL A 81 -14.554 -21.649 -14.447 1.00 13.22 H new ATOM 0 HG12 VAL A 81 -14.397 -21.676 -12.674 1.00 13.22 H new ATOM 0 HG13 VAL A 81 -15.689 -20.721 -13.438 1.00 13.22 H new ATOM 0 HG21 VAL A 81 -13.927 -19.632 -15.725 1.00 13.35 H new ATOM 0 HG22 VAL A 81 -15.034 -18.618 -14.769 1.00 13.35 H new ATOM 0 HG23 VAL A 81 -13.311 -18.190 -14.883 1.00 13.35 H new ATOM 1299 N LEU A 82 -14.319 -20.160 -10.239 1.00 14.10 N ATOM 1300 CA LEU A 82 -14.002 -20.946 -9.052 1.00 15.33 C ATOM 1301 C LEU A 82 -14.586 -22.351 -9.156 1.00 74.24 C ATOM 1302 O LEU A 82 -15.805 -22.526 -9.170 1.00 40.33 O ATOM 1303 CB LEU A 82 -14.536 -20.251 -7.798 1.00 4.41 C ATOM 1304 CG LEU A 82 -14.348 -21.006 -6.481 1.00 3.01 C ATOM 1305 CD1 LEU A 82 -12.878 -21.043 -6.092 1.00 34.41 C ATOM 1306 CD2 LEU A 82 -15.178 -20.367 -5.378 1.00 41.50 C ATOM 0 H LEU A 82 -15.301 -19.894 -10.319 1.00 14.10 H new ATOM 0 HA LEU A 82 -12.917 -21.028 -8.981 1.00 15.33 H new ATOM 0 HB2 LEU A 82 -14.049 -19.280 -7.710 1.00 4.41 H new ATOM 0 HB3 LEU A 82 -15.601 -20.062 -7.937 1.00 4.41 H new ATOM 0 HG LEU A 82 -14.691 -22.031 -6.619 1.00 3.01 H new ATOM 0 HD11 LEU A 82 -12.764 -21.584 -5.153 1.00 34.41 H new ATOM 0 HD12 LEU A 82 -12.308 -21.547 -6.873 1.00 34.41 H new ATOM 0 HD13 LEU A 82 -12.508 -20.025 -5.972 1.00 34.41 H new ATOM 0 HD21 LEU A 82 -15.032 -20.917 -4.448 1.00 41.50 H new ATOM 0 HD22 LEU A 82 -14.865 -19.332 -5.240 1.00 41.50 H new ATOM 0 HD23 LEU A 82 -16.232 -20.394 -5.654 1.00 41.50 H new