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= 0.00183 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0727 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.16) USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.139) 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 -15.463 -6.262 -11.613 1.00 65.44 N ATOM 125 CA ARG A 9 -14.955 -7.624 -11.727 1.00 31.41 C ATOM 126 C ARG A 9 -16.096 -8.636 -11.677 1.00 53.42 C ATOM 127 O ARG A 9 -17.094 -8.427 -10.986 1.00 21.14 O ATOM 128 CB ARG A 9 -13.954 -7.913 -10.608 1.00 21.41 C ATOM 129 CG ARG A 9 -12.770 -6.960 -10.589 1.00 20.04 C ATOM 130 CD ARG A 9 -12.228 -6.773 -9.181 1.00 40.52 C ATOM 131 NE ARG A 9 -12.888 -5.673 -8.482 1.00 72.24 N ATOM 132 CZ ARG A 9 -12.749 -5.440 -7.181 1.00 44.23 C ATOM 133 NH1 ARG A 9 -11.978 -6.225 -6.442 1.00 71.04 N ATOM 134 NH2 ARG A 9 -13.382 -4.418 -6.618 1.00 72.12 N ATOM 0 HA ARG A 9 -14.451 -7.717 -12.689 1.00 31.41 H new ATOM 0 HB2 ARG A 9 -14.469 -7.859 -9.649 1.00 21.41 H new ATOM 0 HB3 ARG A 9 -13.586 -8.934 -10.715 1.00 21.41 H new ATOM 0 HG2 ARG A 9 -11.981 -7.345 -11.235 1.00 20.04 H new ATOM 0 HG3 ARG A 9 -13.072 -5.995 -10.995 1.00 20.04 H new ATOM 0 HD2 ARG A 9 -12.363 -7.695 -8.615 1.00 40.52 H new ATOM 0 HD3 ARG A 9 -11.156 -6.582 -9.228 1.00 40.52 H new ATOM 0 HE ARG A 9 -13.488 -5.050 -9.022 1.00 72.24 H new ATOM 0 HH11 ARG A 9 -11.489 -7.011 -6.872 1.00 71.04 H new ATOM 0 HH12 ARG A 9 -11.873 -6.044 -5.444 1.00 71.04 H new ATOM 0 HH21 ARG A 9 -13.975 -3.811 -7.184 1.00 72.12 H new ATOM 0 HH22 ARG A 9 -13.275 -4.239 -5.619 1.00 72.12 H new ATOM 148 N ALA A 10 -15.943 -9.731 -12.414 1.00 3.10 N ATOM 149 CA ALA A 10 -16.960 -10.775 -12.452 1.00 22.51 C ATOM 150 C ALA A 10 -16.523 -11.995 -11.648 1.00 14.43 C ATOM 151 O ALA A 10 -15.499 -12.610 -11.941 1.00 64.53 O ATOM 152 CB ALA A 10 -17.258 -11.168 -13.890 1.00 60.34 C ATOM 0 H ALA A 10 -15.124 -9.918 -12.993 1.00 3.10 H new ATOM 0 HA ALA A 10 -17.869 -10.380 -11.999 1.00 22.51 H new ATOM 0 HB1 ALA A 10 -18.019 -11.948 -13.904 1.00 60.34 H new ATOM 0 HB2 ALA A 10 -17.621 -10.298 -14.437 1.00 60.34 H new ATOM 0 HB3 ALA A 10 -16.348 -11.540 -14.361 1.00 60.34 H new ATOM 158 N ARG A 11 -17.307 -12.338 -10.631 1.00 21.43 N ATOM 159 CA ARG A 11 -17.000 -13.484 -9.783 1.00 21.01 C ATOM 160 C ARG A 11 -17.826 -14.700 -10.192 1.00 73.14 C ATOM 161 O ARG A 11 -19.014 -14.789 -9.881 1.00 52.45 O ATOM 162 CB ARG A 11 -17.265 -13.144 -8.315 1.00 14.14 C ATOM 163 CG ARG A 11 -16.367 -12.045 -7.771 1.00 62.54 C ATOM 164 CD ARG A 11 -16.720 -11.696 -6.335 1.00 54.51 C ATOM 165 NE ARG A 11 -16.045 -10.482 -5.885 1.00 13.51 N ATOM 166 CZ ARG A 11 -14.786 -10.455 -5.460 1.00 74.23 C ATOM 167 NH1 ARG A 11 -14.070 -11.571 -5.428 1.00 52.42 N ATOM 168 NH2 ARG A 11 -14.242 -9.310 -5.067 1.00 31.32 N ATOM 0 H ARG A 11 -18.159 -11.839 -10.374 1.00 21.43 H new ATOM 0 HA ARG A 11 -15.944 -13.725 -9.908 1.00 21.01 H new ATOM 0 HB2 ARG A 11 -18.306 -12.839 -8.204 1.00 14.14 H new ATOM 0 HB3 ARG A 11 -17.130 -14.043 -7.713 1.00 14.14 H new ATOM 0 HG2 ARG A 11 -15.326 -12.365 -7.823 1.00 62.54 H new ATOM 0 HG3 ARG A 11 -16.459 -11.156 -8.395 1.00 62.54 H new ATOM 0 HD2 ARG A 11 -17.799 -11.564 -6.249 1.00 54.51 H new ATOM 0 HD3 ARG A 11 -16.447 -12.526 -5.683 1.00 54.51 H new ATOM 0 HE ARG A 11 -16.568 -9.607 -5.897 1.00 13.51 H new ATOM 0 HH11 ARG A 11 -14.485 -12.452 -5.730 1.00 52.42 H new ATOM 0 HH12 ARG A 11 -13.104 -11.548 -5.101 1.00 52.42 H new ATOM 0 HH21 ARG A 11 -14.790 -8.450 -5.091 1.00 31.32 H new ATOM 0 HH22 ARG A 11 -13.276 -9.290 -4.741 1.00 31.32 H new ATOM 182 N ILE A 12 -17.188 -15.634 -10.890 1.00 54.02 N ATOM 183 CA ILE A 12 -17.864 -16.845 -11.341 1.00 54.34 C ATOM 184 C ILE A 12 -17.633 -17.997 -10.370 1.00 33.01 C ATOM 185 O ILE A 12 -16.530 -18.175 -9.852 1.00 52.11 O ATOM 186 CB ILE A 12 -17.387 -17.266 -12.743 1.00 61.13 C ATOM 187 CG1 ILE A 12 -17.636 -16.141 -13.750 1.00 61.11 C ATOM 188 CG2 ILE A 12 -18.092 -18.541 -13.181 1.00 60.33 C ATOM 189 CD1 ILE A 12 -16.824 -16.276 -15.020 1.00 14.31 C ATOM 0 H ILE A 12 -16.205 -15.576 -11.155 1.00 54.02 H new ATOM 0 HA ILE A 12 -18.929 -16.616 -11.382 1.00 54.34 H new ATOM 0 HB ILE A 12 -16.315 -17.461 -12.703 1.00 61.13 H new ATOM 0 HG12 ILE A 12 -18.695 -16.121 -14.006 1.00 61.11 H new ATOM 0 HG13 ILE A 12 -17.404 -15.185 -13.280 1.00 61.11 H new ATOM 0 HG21 ILE A 12 -17.744 -18.826 -14.174 1.00 60.33 H new ATOM 0 HG22 ILE A 12 -17.869 -19.341 -12.475 1.00 60.33 H new ATOM 0 HG23 ILE A 12 -19.168 -18.371 -13.208 1.00 60.33 H new ATOM 0 HD11 ILE A 12 -17.051 -15.445 -15.687 1.00 14.31 H new ATOM 0 HD12 ILE A 12 -15.762 -16.265 -14.776 1.00 14.31 H new ATOM 0 HD13 ILE A 12 -17.073 -17.216 -15.513 1.00 14.31 H new ATOM 201 N TYR A 13 -18.680 -18.779 -10.128 1.00 43.34 N ATOM 202 CA TYR A 13 -18.592 -19.915 -9.218 1.00 62.15 C ATOM 203 C TYR A 13 -19.420 -21.088 -9.732 1.00 22.31 C ATOM 204 O TYR A 13 -20.464 -20.902 -10.358 1.00 14.13 O ATOM 205 CB TYR A 13 -19.067 -19.514 -7.820 1.00 43.24 C ATOM 206 CG TYR A 13 -19.183 -20.678 -6.863 1.00 25.30 C ATOM 207 CD1 TYR A 13 -18.048 -21.324 -6.385 1.00 54.04 C ATOM 208 CD2 TYR A 13 -20.424 -21.133 -6.437 1.00 22.11 C ATOM 209 CE1 TYR A 13 -18.149 -22.389 -5.511 1.00 5.12 C ATOM 210 CE2 TYR A 13 -20.533 -22.196 -5.562 1.00 33.10 C ATOM 211 CZ TYR A 13 -19.393 -22.820 -5.101 1.00 60.44 C ATOM 212 OH TYR A 13 -19.498 -23.881 -4.231 1.00 52.13 O ATOM 0 H TYR A 13 -19.599 -18.647 -10.550 1.00 43.34 H new ATOM 0 HA TYR A 13 -17.549 -20.226 -9.164 1.00 62.15 H new ATOM 0 HB2 TYR A 13 -18.374 -18.782 -7.406 1.00 43.24 H new ATOM 0 HB3 TYR A 13 -20.037 -19.024 -7.902 1.00 43.24 H new ATOM 0 HD1 TYR A 13 -17.072 -20.988 -6.702 1.00 54.04 H new ATOM 0 HD2 TYR A 13 -21.319 -20.647 -6.796 1.00 22.11 H new ATOM 0 HE1 TYR A 13 -17.258 -22.882 -5.151 1.00 5.12 H new ATOM 0 HE2 TYR A 13 -21.506 -22.537 -5.240 1.00 33.10 H new ATOM 0 HH TYR A 13 -20.443 -24.057 -4.042 1.00 52.13 H new ATOM 468 N TRP A 30 -24.289 -22.613 -13.187 1.00 12.34 N ATOM 469 CA TRP A 30 -23.190 -21.725 -12.822 1.00 53.24 C ATOM 470 C TRP A 30 -23.716 -20.439 -12.194 1.00 1.25 C ATOM 471 O TRP A 30 -24.872 -20.065 -12.393 1.00 24.22 O ATOM 472 CB TRP A 30 -22.343 -21.397 -14.053 1.00 14.44 C ATOM 473 CG TRP A 30 -21.529 -22.557 -14.539 1.00 21.24 C ATOM 474 CD1 TRP A 30 -21.958 -23.587 -15.325 1.00 30.52 C ATOM 475 CD2 TRP A 30 -20.144 -22.805 -14.270 1.00 52.04 C ATOM 476 NE1 TRP A 30 -20.925 -24.462 -15.561 1.00 11.33 N ATOM 477 CE2 TRP A 30 -19.801 -24.004 -14.925 1.00 70.35 C ATOM 478 CE3 TRP A 30 -19.161 -22.130 -13.541 1.00 63.35 C ATOM 479 CZ2 TRP A 30 -18.517 -24.540 -14.872 1.00 33.40 C ATOM 480 CZ3 TRP A 30 -17.887 -22.664 -13.489 1.00 12.41 C ATOM 481 CH2 TRP A 30 -17.574 -23.859 -14.151 1.00 11.15 C ATOM 0 HA TRP A 30 -22.568 -22.238 -12.088 1.00 53.24 H new ATOM 0 HB2 TRP A 30 -22.998 -21.060 -14.856 1.00 14.44 H new ATOM 0 HB3 TRP A 30 -21.676 -20.568 -13.816 1.00 14.44 H new ATOM 0 HD1 TRP A 30 -22.962 -23.698 -15.706 1.00 30.52 H new ATOM 0 HE1 TRP A 30 -20.985 -25.314 -16.119 1.00 11.33 H new ATOM 0 HE3 TRP A 30 -19.392 -21.208 -13.028 1.00 63.35 H new ATOM 0 HZ2 TRP A 30 -18.274 -25.461 -15.382 1.00 33.40 H new ATOM 0 HZ3 TRP A 30 -17.119 -22.151 -12.928 1.00 12.41 H new ATOM 0 HH2 TRP A 30 -16.569 -24.250 -14.091 1.00 11.15 H new ATOM 492 N LYS A 31 -22.860 -19.765 -11.432 1.00 24.41 N ATOM 493 CA LYS A 31 -23.236 -18.520 -10.775 1.00 41.01 C ATOM 494 C LYS A 31 -22.251 -17.406 -11.115 1.00 54.42 C ATOM 495 O LYS A 31 -21.081 -17.663 -11.397 1.00 3.21 O ATOM 496 CB LYS A 31 -23.295 -18.717 -9.258 1.00 40.42 C ATOM 497 CG LYS A 31 -24.646 -19.201 -8.761 1.00 12.30 C ATOM 498 CD LYS A 31 -24.621 -19.486 -7.268 1.00 12.20 C ATOM 499 CE LYS A 31 -24.828 -18.217 -6.455 1.00 23.13 C ATOM 500 NZ LYS A 31 -25.293 -18.515 -5.072 1.00 2.24 N ATOM 0 H LYS A 31 -21.900 -20.061 -11.255 1.00 24.41 H new ATOM 0 HA LYS A 31 -24.223 -18.232 -11.137 1.00 41.01 H new ATOM 0 HB2 LYS A 31 -22.530 -19.435 -8.963 1.00 40.42 H new ATOM 0 HB3 LYS A 31 -23.053 -17.774 -8.768 1.00 40.42 H new ATOM 0 HG2 LYS A 31 -25.405 -18.449 -8.976 1.00 12.30 H new ATOM 0 HG3 LYS A 31 -24.931 -20.104 -9.300 1.00 12.30 H new ATOM 0 HD2 LYS A 31 -25.399 -20.208 -7.021 1.00 12.20 H new ATOM 0 HD3 LYS A 31 -23.667 -19.940 -6.999 1.00 12.20 H new ATOM 0 HE2 LYS A 31 -23.894 -17.657 -6.411 1.00 23.13 H new ATOM 0 HE3 LYS A 31 -25.558 -17.580 -6.955 1.00 23.13 H new ATOM 0 HZ1 LYS A 31 -25.422 -17.625 -4.550 1.00 2.24 H new ATOM 0 HZ2 LYS A 31 -26.197 -19.027 -5.113 1.00 2.24 H new ATOM 0 HZ3 LYS A 31 -24.584 -19.101 -4.586 1.00 2.24 H new ATOM 514 N LEU A 32 -22.733 -16.168 -11.086 1.00 64.12 N ATOM 515 CA LEU A 32 -21.894 -15.014 -11.389 1.00 52.04 C ATOM 516 C LEU A 32 -22.264 -13.824 -10.510 1.00 15.21 C ATOM 517 O LEU A 32 -23.442 -13.514 -10.333 1.00 71.01 O ATOM 518 CB LEU A 32 -22.030 -14.633 -12.865 1.00 13.41 C ATOM 519 CG LEU A 32 -21.094 -13.532 -13.364 1.00 60.10 C ATOM 520 CD1 LEU A 32 -21.620 -12.162 -12.963 1.00 62.11 C ATOM 521 CD2 LEU A 32 -19.687 -13.744 -12.824 1.00 71.35 C ATOM 0 H LEU A 32 -23.700 -15.938 -10.856 1.00 64.12 H new ATOM 0 HA LEU A 32 -20.859 -15.286 -11.183 1.00 52.04 H new ATOM 0 HB2 LEU A 32 -21.861 -15.526 -13.467 1.00 13.41 H new ATOM 0 HB3 LEU A 32 -23.058 -14.317 -13.045 1.00 13.41 H new ATOM 0 HG LEU A 32 -21.055 -13.579 -14.452 1.00 60.10 H new ATOM 0 HD11 LEU A 32 -20.941 -11.391 -13.327 1.00 62.11 H new ATOM 0 HD12 LEU A 32 -22.608 -12.010 -13.398 1.00 62.11 H new ATOM 0 HD13 LEU A 32 -21.689 -12.102 -11.877 1.00 62.11 H new ATOM 0 HD21 LEU A 32 -19.034 -12.951 -13.189 1.00 71.35 H new ATOM 0 HD22 LEU A 32 -19.709 -13.723 -11.734 1.00 71.35 H new ATOM 0 HD23 LEU A 32 -19.309 -14.709 -13.161 1.00 71.35 H new ATOM 533 N GLU A 33 -21.251 -13.161 -9.962 1.00 54.15 N ATOM 534 CA GLU A 33 -21.472 -12.004 -9.102 1.00 51.20 C ATOM 535 C GLU A 33 -20.540 -10.857 -9.482 1.00 71.34 C ATOM 536 O GLU A 33 -19.349 -10.881 -9.174 1.00 21.02 O ATOM 537 CB GLU A 33 -21.258 -12.383 -7.634 1.00 65.54 C ATOM 538 CG GLU A 33 -21.263 -11.193 -6.692 1.00 13.34 C ATOM 539 CD GLU A 33 -22.597 -10.471 -6.671 1.00 4.13 C ATOM 540 OE1 GLU A 33 -23.005 -9.949 -7.730 1.00 23.33 O ATOM 541 OE2 GLU A 33 -23.232 -10.427 -5.597 1.00 13.00 O ATOM 0 H GLU A 33 -20.270 -13.405 -10.098 1.00 54.15 H new ATOM 0 HA GLU A 33 -22.502 -11.674 -9.239 1.00 51.20 H new ATOM 0 HB2 GLU A 33 -22.039 -13.080 -7.330 1.00 65.54 H new ATOM 0 HB3 GLU A 33 -20.308 -12.908 -7.538 1.00 65.54 H new ATOM 0 HG2 GLU A 33 -21.021 -11.531 -5.684 1.00 13.34 H new ATOM 0 HG3 GLU A 33 -20.481 -10.495 -6.990 1.00 13.34 H new ATOM 548 N PHE A 34 -21.093 -9.854 -10.157 1.00 3.24 N ATOM 549 CA PHE A 34 -20.313 -8.697 -10.582 1.00 31.14 C ATOM 550 C PHE A 34 -20.253 -7.646 -9.478 1.00 1.42 C ATOM 551 O PHE A 34 -21.250 -7.374 -8.812 1.00 15.25 O ATOM 552 CB PHE A 34 -20.914 -8.088 -11.851 1.00 0.34 C ATOM 553 CG PHE A 34 -22.359 -7.705 -11.705 1.00 25.04 C ATOM 554 CD1 PHE A 34 -22.713 -6.483 -11.156 1.00 35.44 C ATOM 555 CD2 PHE A 34 -23.362 -8.567 -12.116 1.00 70.40 C ATOM 556 CE1 PHE A 34 -24.042 -6.128 -11.021 1.00 32.14 C ATOM 557 CE2 PHE A 34 -24.692 -8.217 -11.983 1.00 73.15 C ATOM 558 CZ PHE A 34 -25.034 -6.996 -11.434 1.00 23.43 C ATOM 0 H PHE A 34 -22.078 -9.819 -10.421 1.00 3.24 H new ATOM 0 HA PHE A 34 -19.298 -9.033 -10.795 1.00 31.14 H new ATOM 0 HB2 PHE A 34 -20.338 -7.205 -12.129 1.00 0.34 H new ATOM 0 HB3 PHE A 34 -20.816 -8.802 -12.669 1.00 0.34 H new ATOM 0 HD1 PHE A 34 -21.942 -5.800 -10.830 1.00 35.44 H new ATOM 0 HD2 PHE A 34 -23.102 -9.523 -12.545 1.00 70.40 H new ATOM 0 HE1 PHE A 34 -24.305 -5.172 -10.593 1.00 32.14 H new ATOM 0 HE2 PHE A 34 -25.465 -8.898 -12.308 1.00 73.15 H new ATOM 0 HZ PHE A 34 -26.073 -6.721 -11.328 1.00 23.43 H new ATOM 568 N GLU A 35 -19.075 -7.057 -9.292 1.00 33.42 N ATOM 569 CA GLU A 35 -18.885 -6.037 -8.268 1.00 24.14 C ATOM 570 C GLU A 35 -19.735 -4.804 -8.563 1.00 21.50 C ATOM 571 O GLU A 35 -20.176 -4.579 -9.691 1.00 12.02 O ATOM 572 CB GLU A 35 -17.409 -5.643 -8.178 1.00 54.41 C ATOM 573 CG GLU A 35 -16.599 -6.524 -7.242 1.00 70.12 C ATOM 574 CD GLU A 35 -17.117 -6.493 -5.817 1.00 4.41 C ATOM 575 OE1 GLU A 35 -18.044 -7.269 -5.504 1.00 45.52 O ATOM 576 OE2 GLU A 35 -16.592 -5.692 -5.015 1.00 1.13 O ATOM 0 H GLU A 35 -18.239 -7.269 -9.837 1.00 33.42 H new ATOM 0 HA GLU A 35 -19.202 -6.454 -7.312 1.00 24.14 H new ATOM 0 HB2 GLU A 35 -16.969 -5.685 -9.174 1.00 54.41 H new ATOM 0 HB3 GLU A 35 -17.338 -4.609 -7.842 1.00 54.41 H new ATOM 0 HG2 GLU A 35 -16.617 -7.550 -7.609 1.00 70.12 H new ATOM 0 HG3 GLU A 35 -15.558 -6.200 -7.253 1.00 70.12 H new ATOM 946 N LEU A 60 -26.257 -12.844 -10.199 1.00 33.12 N ATOM 947 CA LEU A 60 -27.032 -13.587 -11.186 1.00 70.34 C ATOM 948 C LEU A 60 -26.481 -14.998 -11.362 1.00 14.22 C ATOM 949 O LEU A 60 -25.408 -15.324 -10.854 1.00 14.12 O ATOM 950 CB LEU A 60 -27.024 -12.853 -12.528 1.00 25.53 C ATOM 951 CG LEU A 60 -25.781 -13.057 -13.396 1.00 73.45 C ATOM 952 CD1 LEU A 60 -26.010 -14.177 -14.400 1.00 24.32 C ATOM 953 CD2 LEU A 60 -25.413 -11.765 -14.112 1.00 31.43 C ATOM 0 HA LEU A 60 -28.058 -13.660 -10.825 1.00 70.34 H new ATOM 0 HB2 LEU A 60 -27.897 -13.170 -13.098 1.00 25.53 H new ATOM 0 HB3 LEU A 60 -27.138 -11.786 -12.337 1.00 25.53 H new ATOM 0 HG LEU A 60 -24.951 -13.340 -12.748 1.00 73.45 H new ATOM 0 HD11 LEU A 60 -25.116 -14.308 -15.009 1.00 24.32 H new ATOM 0 HD12 LEU A 60 -26.226 -15.104 -13.868 1.00 24.32 H new ATOM 0 HD13 LEU A 60 -26.853 -13.923 -15.043 1.00 24.32 H new ATOM 0 HD21 LEU A 60 -24.527 -11.928 -14.725 1.00 31.43 H new ATOM 0 HD22 LEU A 60 -26.241 -11.453 -14.748 1.00 31.43 H new ATOM 0 HD23 LEU A 60 -25.207 -10.987 -13.376 1.00 31.43 H new ATOM 965 N SER A 61 -27.221 -15.831 -12.087 1.00 23.01 N ATOM 966 CA SER A 61 -26.807 -17.209 -12.329 1.00 44.41 C ATOM 967 C SER A 61 -26.813 -17.523 -13.822 1.00 21.23 C ATOM 968 O SER A 61 -27.702 -17.092 -14.555 1.00 73.14 O ATOM 969 CB SER A 61 -27.729 -18.178 -11.588 1.00 32.43 C ATOM 970 OG SER A 61 -28.281 -17.574 -10.431 1.00 5.44 O ATOM 0 H SER A 61 -28.110 -15.576 -12.517 1.00 23.01 H new ATOM 0 HA SER A 61 -25.790 -17.329 -11.954 1.00 44.41 H new ATOM 0 HB2 SER A 61 -28.531 -18.500 -12.252 1.00 32.43 H new ATOM 0 HB3 SER A 61 -27.171 -19.071 -11.305 1.00 32.43 H new ATOM 0 HG SER A 61 -28.868 -18.214 -9.976 1.00 5.44 H new ATOM 976 N PHE A 62 -25.813 -18.278 -14.264 1.00 22.22 N ATOM 977 CA PHE A 62 -25.701 -18.651 -15.670 1.00 72.10 C ATOM 978 C PHE A 62 -25.980 -20.140 -15.861 1.00 40.54 C ATOM 979 O PHE A 62 -25.867 -20.930 -14.924 1.00 73.11 O ATOM 980 CB PHE A 62 -24.307 -18.309 -16.200 1.00 72.21 C ATOM 981 CG PHE A 62 -24.145 -16.863 -16.570 1.00 73.21 C ATOM 982 CD1 PHE A 62 -24.665 -16.374 -17.757 1.00 63.44 C ATOM 983 CD2 PHE A 62 -23.472 -15.991 -15.729 1.00 20.21 C ATOM 984 CE1 PHE A 62 -24.517 -15.043 -18.100 1.00 74.11 C ATOM 985 CE2 PHE A 62 -23.321 -14.659 -16.066 1.00 61.10 C ATOM 986 CZ PHE A 62 -23.844 -14.185 -17.254 1.00 21.13 C ATOM 0 H PHE A 62 -25.069 -18.644 -13.670 1.00 22.22 H new ATOM 0 HA PHE A 62 -26.444 -18.085 -16.232 1.00 72.10 H new ATOM 0 HB2 PHE A 62 -23.566 -18.567 -15.444 1.00 72.21 H new ATOM 0 HB3 PHE A 62 -24.098 -18.925 -17.075 1.00 72.21 H new ATOM 0 HD1 PHE A 62 -25.193 -17.041 -18.423 1.00 63.44 H new ATOM 0 HD2 PHE A 62 -23.061 -16.356 -14.800 1.00 20.21 H new ATOM 0 HE1 PHE A 62 -24.927 -14.675 -19.029 1.00 74.11 H new ATOM 0 HE2 PHE A 62 -22.795 -13.990 -15.402 1.00 61.10 H new ATOM 0 HZ PHE A 62 -23.726 -13.145 -17.520 1.00 21.13 H new ATOM 996 N THR A 63 -26.345 -20.514 -17.084 1.00 31.45 N ATOM 997 CA THR A 63 -26.641 -21.906 -17.400 1.00 14.45 C ATOM 998 C THR A 63 -25.368 -22.684 -17.707 1.00 23.23 C ATOM 999 O THR A 63 -25.178 -23.802 -17.227 1.00 73.42 O ATOM 1000 CB THR A 63 -27.600 -22.017 -18.600 1.00 61.30 C ATOM 1001 OG1 THR A 63 -28.442 -20.860 -18.664 1.00 60.50 O ATOM 1002 CG2 THR A 63 -28.457 -23.270 -18.494 1.00 15.32 C ATOM 0 H THR A 63 -26.443 -19.873 -17.871 1.00 31.45 H new ATOM 0 HA THR A 63 -27.120 -22.335 -16.520 1.00 14.45 H new ATOM 0 HB THR A 63 -27.003 -22.081 -19.509 1.00 61.30 H new ATOM 0 HG1 THR A 63 -29.047 -20.938 -19.431 1.00 60.50 H new ATOM 0 HG21 THR A 63 -29.126 -23.327 -19.352 1.00 15.32 H new ATOM 0 HG22 THR A 63 -27.814 -24.150 -18.476 1.00 15.32 H new ATOM 0 HG23 THR A 63 -29.045 -23.232 -17.577 1.00 15.32 H new ATOM 1010 N THR A 64 -24.492 -22.084 -18.509 1.00 73.42 N ATOM 1011 CA THR A 64 -23.235 -22.721 -18.881 1.00 74.42 C ATOM 1012 C THR A 64 -22.045 -21.844 -18.515 1.00 12.20 C ATOM 1013 O THR A 64 -22.166 -20.621 -18.431 1.00 24.13 O ATOM 1014 CB THR A 64 -23.187 -23.030 -20.390 1.00 12.04 C ATOM 1015 OG1 THR A 64 -23.886 -22.017 -21.120 1.00 4.21 O ATOM 1016 CG2 THR A 64 -23.803 -24.390 -20.684 1.00 33.21 C ATOM 0 H THR A 64 -24.631 -21.158 -18.913 1.00 73.42 H new ATOM 0 HA THR A 64 -23.178 -23.656 -18.324 1.00 74.42 H new ATOM 0 HB THR A 64 -22.143 -23.047 -20.702 1.00 12.04 H new ATOM 0 HG1 THR A 64 -23.849 -22.220 -22.078 1.00 4.21 H new ATOM 0 HG21 THR A 64 -23.758 -24.586 -21.755 1.00 33.21 H new ATOM 0 HG22 THR A 64 -23.250 -25.163 -20.150 1.00 33.21 H new ATOM 0 HG23 THR A 64 -24.843 -24.397 -20.358 1.00 33.21 H new ATOM 1024 N ARG A 65 -20.895 -22.473 -18.300 1.00 31.42 N ATOM 1025 CA ARG A 65 -19.682 -21.748 -17.942 1.00 20.35 C ATOM 1026 C ARG A 65 -19.393 -20.640 -18.950 1.00 60.54 C ATOM 1027 O ARG A 65 -19.220 -19.480 -18.580 1.00 34.01 O ATOM 1028 CB ARG A 65 -18.492 -22.708 -17.868 1.00 40.30 C ATOM 1029 CG ARG A 65 -17.249 -22.089 -17.248 1.00 73.01 C ATOM 1030 CD ARG A 65 -15.981 -22.747 -17.769 1.00 13.21 C ATOM 1031 NE ARG A 65 -14.882 -22.650 -16.812 1.00 24.44 N ATOM 1032 CZ ARG A 65 -13.704 -23.240 -16.984 1.00 2.31 C ATOM 1033 NH1 ARG A 65 -13.474 -23.964 -18.069 1.00 63.44 N ATOM 1034 NH2 ARG A 65 -12.753 -23.104 -16.067 1.00 63.25 N ATOM 0 H ARG A 65 -20.777 -23.484 -18.367 1.00 31.42 H new ATOM 0 HA ARG A 65 -19.836 -21.294 -16.963 1.00 20.35 H new ATOM 0 HB2 ARG A 65 -18.779 -23.585 -17.288 1.00 40.30 H new ATOM 0 HB3 ARG A 65 -18.252 -23.055 -18.873 1.00 40.30 H new ATOM 0 HG2 ARG A 65 -17.224 -21.022 -17.469 1.00 73.01 H new ATOM 0 HG3 ARG A 65 -17.293 -22.189 -16.164 1.00 73.01 H new ATOM 0 HD2 ARG A 65 -16.180 -23.796 -17.987 1.00 13.21 H new ATOM 0 HD3 ARG A 65 -15.687 -22.276 -18.707 1.00 13.21 H new ATOM 0 HE ARG A 65 -15.027 -22.099 -15.966 1.00 24.44 H new ATOM 0 HH11 ARG A 65 -14.202 -24.070 -18.775 1.00 63.44 H new ATOM 0 HH12 ARG A 65 -12.569 -24.416 -18.198 1.00 63.44 H new ATOM 0 HH21 ARG A 65 -12.927 -22.547 -15.231 1.00 63.25 H new ATOM 0 HH22 ARG A 65 -11.849 -23.557 -16.199 1.00 63.25 H new ATOM 1048 N GLU A 66 -19.343 -21.008 -20.228 1.00 54.54 N ATOM 1049 CA GLU A 66 -19.074 -20.044 -21.289 1.00 30.33 C ATOM 1050 C GLU A 66 -20.034 -18.861 -21.205 1.00 41.42 C ATOM 1051 O GLU A 66 -19.699 -17.746 -21.609 1.00 52.41 O ATOM 1052 CB GLU A 66 -19.194 -20.715 -22.659 1.00 22.43 C ATOM 1053 CG GLU A 66 -17.900 -21.353 -23.139 1.00 55.22 C ATOM 1054 CD GLU A 66 -16.866 -20.328 -23.562 1.00 14.14 C ATOM 1055 OE1 GLU A 66 -17.122 -19.595 -24.540 1.00 10.32 O ATOM 1056 OE2 GLU A 66 -15.801 -20.258 -22.913 1.00 64.43 O ATOM 0 H GLU A 66 -19.485 -21.965 -20.552 1.00 54.54 H new ATOM 0 HA GLU A 66 -18.057 -19.674 -21.160 1.00 30.33 H new ATOM 0 HB2 GLU A 66 -19.971 -21.478 -22.614 1.00 22.43 H new ATOM 0 HB3 GLU A 66 -19.517 -19.974 -23.390 1.00 22.43 H new ATOM 0 HG2 GLU A 66 -17.487 -21.972 -22.343 1.00 55.22 H new ATOM 0 HG3 GLU A 66 -18.115 -22.014 -23.978 1.00 55.22 H new ATOM 1063 N LEU A 67 -21.228 -19.111 -20.678 1.00 62.14 N ATOM 1064 CA LEU A 67 -22.237 -18.066 -20.542 1.00 0.02 C ATOM 1065 C LEU A 67 -21.773 -16.984 -19.572 1.00 4.33 C ATOM 1066 O LEU A 67 -22.087 -15.807 -19.744 1.00 62.20 O ATOM 1067 CB LEU A 67 -23.558 -18.667 -20.058 1.00 61.34 C ATOM 1068 CG LEU A 67 -24.822 -18.149 -20.746 1.00 13.44 C ATOM 1069 CD1 LEU A 67 -24.756 -18.401 -22.244 1.00 21.30 C ATOM 1070 CD2 LEU A 67 -26.060 -18.801 -20.147 1.00 60.51 C ATOM 0 H LEU A 67 -21.521 -20.027 -20.338 1.00 62.14 H new ATOM 0 HA LEU A 67 -22.388 -17.611 -21.521 1.00 0.02 H new ATOM 0 HB2 LEU A 67 -23.513 -19.748 -20.191 1.00 61.34 H new ATOM 0 HB3 LEU A 67 -23.648 -18.481 -18.988 1.00 61.34 H new ATOM 0 HG LEU A 67 -24.887 -17.073 -20.582 1.00 13.44 H new ATOM 0 HD11 LEU A 67 -25.664 -18.026 -22.716 1.00 21.30 H new ATOM 0 HD12 LEU A 67 -23.890 -17.887 -22.662 1.00 21.30 H new ATOM 0 HD13 LEU A 67 -24.666 -19.471 -22.429 1.00 21.30 H new ATOM 0 HD21 LEU A 67 -26.950 -18.421 -20.648 1.00 60.51 H new ATOM 0 HD22 LEU A 67 -26.002 -19.881 -20.279 1.00 60.51 H new ATOM 0 HD23 LEU A 67 -26.115 -18.568 -19.084 1.00 60.51 H new ATOM 1082 N ALA A 68 -21.022 -17.392 -18.553 1.00 40.31 N ATOM 1083 CA ALA A 68 -20.512 -16.457 -17.559 1.00 65.01 C ATOM 1084 C ALA A 68 -19.371 -15.618 -18.128 1.00 32.24 C ATOM 1085 O ALA A 68 -19.373 -14.393 -18.015 1.00 4.22 O ATOM 1086 CB ALA A 68 -20.050 -17.206 -16.318 1.00 12.35 C ATOM 0 H ALA A 68 -20.754 -18.363 -18.395 1.00 40.31 H new ATOM 0 HA ALA A 68 -21.322 -15.782 -17.282 1.00 65.01 H new ATOM 0 HB1 ALA A 68 -19.671 -16.495 -15.584 1.00 12.35 H new ATOM 0 HB2 ALA A 68 -20.889 -17.756 -15.892 1.00 12.35 H new ATOM 0 HB3 ALA A 68 -19.258 -17.905 -16.588 1.00 12.35 H new ATOM 1092 N ILE A 69 -18.399 -16.288 -18.739 1.00 35.10 N ATOM 1093 CA ILE A 69 -17.253 -15.604 -19.326 1.00 32.40 C ATOM 1094 C ILE A 69 -17.673 -14.753 -20.519 1.00 61.41 C ATOM 1095 O ILE A 69 -17.092 -13.700 -20.779 1.00 23.41 O ATOM 1096 CB ILE A 69 -16.172 -16.604 -19.776 1.00 41.10 C ATOM 1097 CG1 ILE A 69 -15.689 -17.437 -18.587 1.00 44.14 C ATOM 1098 CG2 ILE A 69 -15.008 -15.868 -20.423 1.00 0.51 C ATOM 1099 CD1 ILE A 69 -16.417 -18.753 -18.436 1.00 11.24 C ATOM 0 H ILE A 69 -18.382 -17.303 -18.840 1.00 35.10 H new ATOM 0 HA ILE A 69 -16.839 -14.958 -18.552 1.00 32.40 H new ATOM 0 HB ILE A 69 -16.606 -17.279 -20.514 1.00 41.10 H new ATOM 0 HG12 ILE A 69 -14.623 -17.632 -18.700 1.00 44.14 H new ATOM 0 HG13 ILE A 69 -15.812 -16.856 -17.673 1.00 44.14 H new ATOM 0 HG21 ILE A 69 -14.251 -16.588 -20.736 1.00 0.51 H new ATOM 0 HG22 ILE A 69 -15.365 -15.315 -21.292 1.00 0.51 H new ATOM 0 HG23 ILE A 69 -14.573 -15.173 -19.705 1.00 0.51 H new ATOM 0 HD11 ILE A 69 -16.023 -19.290 -17.573 1.00 11.24 H new ATOM 0 HD12 ILE A 69 -17.481 -18.566 -18.292 1.00 11.24 H new ATOM 0 HD13 ILE A 69 -16.273 -19.354 -19.334 1.00 11.24 H new ATOM 1111 N ALA A 70 -18.689 -15.217 -21.242 1.00 25.14 N ATOM 1112 CA ALA A 70 -19.188 -14.497 -22.406 1.00 71.42 C ATOM 1113 C ALA A 70 -19.782 -13.151 -22.006 1.00 1.10 C ATOM 1114 O ALA A 70 -19.831 -12.219 -22.810 1.00 33.04 O ATOM 1115 CB ALA A 70 -20.224 -15.336 -23.141 1.00 14.42 C ATOM 0 H ALA A 70 -19.181 -16.088 -21.041 1.00 25.14 H new ATOM 0 HA ALA A 70 -18.348 -14.309 -23.074 1.00 71.42 H new ATOM 0 HB1 ALA A 70 -20.589 -14.786 -24.009 1.00 14.42 H new ATOM 0 HB2 ALA A 70 -19.769 -16.271 -23.469 1.00 14.42 H new ATOM 0 HB3 ALA A 70 -21.057 -15.553 -22.473 1.00 14.42 H new ATOM 1121 N TYR A 71 -20.233 -13.056 -20.760 1.00 51.22 N ATOM 1122 CA TYR A 71 -20.826 -11.823 -20.254 1.00 72.43 C ATOM 1123 C TYR A 71 -19.748 -10.814 -19.875 1.00 23.22 C ATOM 1124 O TYR A 71 -19.788 -9.658 -20.293 1.00 71.42 O ATOM 1125 CB TYR A 71 -21.713 -12.119 -19.042 1.00 24.43 C ATOM 1126 CG TYR A 71 -22.464 -10.910 -18.531 1.00 25.51 C ATOM 1127 CD1 TYR A 71 -23.245 -10.143 -19.385 1.00 10.41 C ATOM 1128 CD2 TYR A 71 -22.391 -10.537 -17.195 1.00 63.51 C ATOM 1129 CE1 TYR A 71 -23.933 -9.037 -18.922 1.00 3.24 C ATOM 1130 CE2 TYR A 71 -23.075 -9.435 -16.723 1.00 51.44 C ATOM 1131 CZ TYR A 71 -23.844 -8.687 -17.591 1.00 12.42 C ATOM 1132 OH TYR A 71 -24.528 -7.586 -17.125 1.00 73.54 O ATOM 0 H TYR A 71 -20.199 -13.817 -20.082 1.00 51.22 H new ATOM 0 HA TYR A 71 -21.437 -11.392 -21.047 1.00 72.43 H new ATOM 0 HB2 TYR A 71 -22.430 -12.896 -19.308 1.00 24.43 H new ATOM 0 HB3 TYR A 71 -21.094 -12.518 -18.238 1.00 24.43 H new ATOM 0 HD1 TYR A 71 -23.316 -10.415 -20.428 1.00 10.41 H new ATOM 0 HD2 TYR A 71 -21.789 -11.119 -16.514 1.00 63.51 H new ATOM 0 HE1 TYR A 71 -24.537 -8.450 -19.599 1.00 3.24 H new ATOM 0 HE2 TYR A 71 -23.009 -9.160 -15.681 1.00 51.44 H new ATOM 0 HH TYR A 71 -24.360 -7.478 -16.166 1.00 73.54 H new ATOM 1142 N ALA A 72 -18.781 -11.262 -19.080 1.00 33.22 N ATOM 1143 CA ALA A 72 -17.688 -10.401 -18.645 1.00 52.21 C ATOM 1144 C ALA A 72 -16.849 -9.938 -19.831 1.00 74.15 C ATOM 1145 O ALA A 72 -16.672 -8.739 -20.049 1.00 1.04 O ATOM 1146 CB ALA A 72 -16.817 -11.125 -17.630 1.00 33.50 C ATOM 0 H ALA A 72 -18.733 -12.217 -18.724 1.00 33.22 H new ATOM 0 HA ALA A 72 -18.120 -9.519 -18.172 1.00 52.21 H new ATOM 0 HB1 ALA A 72 -16.005 -10.470 -17.314 1.00 33.50 H new ATOM 0 HB2 ALA A 72 -17.419 -11.400 -16.764 1.00 33.50 H new ATOM 0 HB3 ALA A 72 -16.402 -12.025 -18.083 1.00 33.50 H new ATOM 1152 N VAL A 73 -16.335 -10.896 -20.596 1.00 60.21 N ATOM 1153 CA VAL A 73 -15.515 -10.586 -21.761 1.00 21.35 C ATOM 1154 C VAL A 73 -16.217 -9.592 -22.679 1.00 24.21 C ATOM 1155 O VAL A 73 -15.570 -8.790 -23.351 1.00 40.23 O ATOM 1156 CB VAL A 73 -15.176 -11.857 -22.562 1.00 22.54 C ATOM 1157 CG1 VAL A 73 -14.347 -11.509 -23.790 1.00 32.51 C ATOM 1158 CG2 VAL A 73 -14.445 -12.862 -21.683 1.00 63.13 C ATOM 0 H VAL A 73 -16.472 -11.893 -20.430 1.00 60.21 H new ATOM 0 HA VAL A 73 -14.591 -10.142 -21.389 1.00 21.35 H new ATOM 0 HB VAL A 73 -16.107 -12.313 -22.898 1.00 22.54 H new ATOM 0 HG11 VAL A 73 -14.117 -12.419 -24.344 1.00 32.51 H new ATOM 0 HG12 VAL A 73 -14.910 -10.829 -24.428 1.00 32.51 H new ATOM 0 HG13 VAL A 73 -13.419 -11.029 -23.479 1.00 32.51 H new ATOM 0 HG21 VAL A 73 -14.213 -13.754 -22.265 1.00 63.13 H new ATOM 0 HG22 VAL A 73 -13.520 -12.418 -21.315 1.00 63.13 H new ATOM 0 HG23 VAL A 73 -15.078 -13.134 -20.838 1.00 63.13 H new ATOM 1168 N ALA A 74 -17.544 -9.650 -22.701 1.00 31.34 N ATOM 1169 CA ALA A 74 -18.334 -8.753 -23.534 1.00 34.42 C ATOM 1170 C ALA A 74 -17.945 -7.298 -23.297 1.00 13.12 C ATOM 1171 O ALA A 74 -18.033 -6.466 -24.201 1.00 23.13 O ATOM 1172 CB ALA A 74 -19.819 -8.956 -23.267 1.00 43.24 C ATOM 0 H ALA A 74 -18.095 -10.309 -22.151 1.00 31.34 H new ATOM 0 HA ALA A 74 -18.128 -8.990 -24.578 1.00 34.42 H new ATOM 0 HB1 ALA A 74 -20.398 -8.279 -23.896 1.00 43.24 H new ATOM 0 HB2 ALA A 74 -20.092 -9.986 -23.495 1.00 43.24 H new ATOM 0 HB3 ALA A 74 -20.032 -8.748 -22.218 1.00 43.24 H new ATOM 1178 N HIS A 75 -17.516 -6.997 -22.075 1.00 61.02 N ATOM 1179 CA HIS A 75 -17.114 -5.641 -21.719 1.00 51.23 C ATOM 1180 C HIS A 75 -15.690 -5.623 -21.170 1.00 54.31 C ATOM 1181 O HIS A 75 -15.320 -4.731 -20.406 1.00 32.11 O ATOM 1182 CB HIS A 75 -18.079 -5.054 -20.688 1.00 0.22 C ATOM 1183 CG HIS A 75 -18.022 -3.561 -20.597 1.00 13.32 C ATOM 1184 ND1 HIS A 75 -18.411 -2.728 -21.626 1.00 1.15 N ATOM 1185 CD2 HIS A 75 -17.622 -2.749 -19.589 1.00 63.21 C ATOM 1186 CE1 HIS A 75 -18.249 -1.471 -21.256 1.00 0.30 C ATOM 1187 NE2 HIS A 75 -17.772 -1.456 -20.025 1.00 11.03 N ATOM 0 H HIS A 75 -17.438 -7.673 -21.316 1.00 61.02 H new ATOM 0 HA HIS A 75 -17.144 -5.031 -22.622 1.00 51.23 H new ATOM 0 HB2 HIS A 75 -19.095 -5.356 -20.941 1.00 0.22 H new ATOM 0 HB3 HIS A 75 -17.854 -5.478 -19.709 1.00 0.22 H new ATOM 0 HD2 HIS A 75 -17.254 -3.061 -18.623 1.00 63.21 H new ATOM 0 HE1 HIS A 75 -18.469 -0.602 -21.858 1.00 0.30 H new ATOM 0 HE2 HIS A 75 -17.551 -0.619 -19.485 1.00 11.03 H new ATOM 1195 N LYS A 76 -14.898 -6.614 -21.563 1.00 11.02 N ATOM 1196 CA LYS A 76 -13.515 -6.713 -21.111 1.00 43.51 C ATOM 1197 C LYS A 76 -13.432 -6.631 -19.590 1.00 15.21 C ATOM 1198 O LYS A 76 -12.720 -5.790 -19.042 1.00 45.35 O ATOM 1199 CB LYS A 76 -12.671 -5.601 -21.738 1.00 24.12 C ATOM 1200 CG LYS A 76 -12.655 -5.633 -23.257 1.00 52.50 C ATOM 1201 CD LYS A 76 -11.710 -6.700 -23.783 1.00 12.32 C ATOM 1202 CE LYS A 76 -11.908 -6.934 -25.273 1.00 51.33 C ATOM 1203 NZ LYS A 76 -11.836 -5.665 -26.048 1.00 53.45 N ATOM 0 H LYS A 76 -15.190 -7.361 -22.194 1.00 11.02 H new ATOM 0 HA LYS A 76 -13.125 -7.680 -21.427 1.00 43.51 H new ATOM 0 HB2 LYS A 76 -13.054 -4.635 -21.407 1.00 24.12 H new ATOM 0 HB3 LYS A 76 -11.648 -5.681 -21.370 1.00 24.12 H new ATOM 0 HG2 LYS A 76 -13.662 -5.823 -23.628 1.00 52.50 H new ATOM 0 HG3 LYS A 76 -12.353 -4.658 -23.639 1.00 52.50 H new ATOM 0 HD2 LYS A 76 -10.679 -6.400 -23.595 1.00 12.32 H new ATOM 0 HD3 LYS A 76 -11.874 -7.632 -23.242 1.00 12.32 H new ATOM 0 HE2 LYS A 76 -11.147 -7.625 -25.636 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -12.875 -7.408 -25.441 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -11.771 -5.881 -27.063 1.00 53.45 H new ATOM 0 HZ2 LYS A 76 -12.690 -5.100 -25.868 1.00 53.45 H new ATOM 0 HZ3 LYS A 76 -10.996 -5.126 -25.755 1.00 53.45 H new ATOM 1217 N ILE A 77 -14.164 -7.511 -18.914 1.00 53.24 N ATOM 1218 CA ILE A 77 -14.171 -7.539 -17.457 1.00 21.24 C ATOM 1219 C ILE A 77 -13.392 -8.738 -16.927 1.00 63.05 C ATOM 1220 O ILE A 77 -13.431 -9.822 -17.508 1.00 21.24 O ATOM 1221 CB ILE A 77 -15.606 -7.587 -16.902 1.00 32.51 C ATOM 1222 CG1 ILE A 77 -16.410 -6.384 -17.399 1.00 31.35 C ATOM 1223 CG2 ILE A 77 -15.584 -7.625 -15.381 1.00 55.14 C ATOM 1224 CD1 ILE A 77 -17.901 -6.527 -17.192 1.00 35.04 C ATOM 0 H ILE A 77 -14.759 -8.214 -19.352 1.00 53.24 H new ATOM 0 HA ILE A 77 -13.691 -6.620 -17.121 1.00 21.24 H new ATOM 0 HB ILE A 77 -16.089 -8.495 -17.262 1.00 32.51 H new ATOM 0 HG12 ILE A 77 -16.064 -5.488 -16.884 1.00 31.35 H new ATOM 0 HG13 ILE A 77 -16.211 -6.238 -18.461 1.00 31.35 H new ATOM 0 HG21 ILE A 77 -16.606 -7.659 -15.003 1.00 55.14 H new ATOM 0 HG22 ILE A 77 -15.044 -8.511 -15.047 1.00 55.14 H new ATOM 0 HG23 ILE A 77 -15.086 -6.732 -15.002 1.00 55.14 H new ATOM 0 HD11 ILE A 77 -18.407 -5.638 -17.568 1.00 35.04 H new ATOM 0 HD12 ILE A 77 -18.261 -7.404 -17.730 1.00 35.04 H new ATOM 0 HD13 ILE A 77 -18.111 -6.642 -16.129 1.00 35.04 H new ATOM 1236 N ASP A 78 -12.685 -8.535 -15.820 1.00 51.43 N ATOM 1237 CA ASP A 78 -11.899 -9.600 -15.209 1.00 21.22 C ATOM 1238 C ASP A 78 -12.805 -10.643 -14.564 1.00 74.24 C ATOM 1239 O ASP A 78 -13.365 -10.416 -13.491 1.00 24.23 O ATOM 1240 CB ASP A 78 -10.942 -9.022 -14.165 1.00 65.24 C ATOM 1241 CG ASP A 78 -9.974 -8.019 -14.760 1.00 25.45 C ATOM 1242 OD1 ASP A 78 -9.709 -8.100 -15.978 1.00 62.52 O ATOM 1243 OD2 ASP A 78 -9.479 -7.153 -14.008 1.00 25.14 O ATOM 0 H ASP A 78 -12.640 -7.643 -15.328 1.00 51.43 H new ATOM 0 HA ASP A 78 -11.319 -10.085 -15.994 1.00 21.22 H new ATOM 0 HB2 ASP A 78 -11.518 -8.541 -13.375 1.00 65.24 H new ATOM 0 HB3 ASP A 78 -10.381 -9.834 -13.702 1.00 65.24 H new ATOM 1248 N TYR A 79 -12.947 -11.786 -15.225 1.00 63.20 N ATOM 1249 CA TYR A 79 -13.788 -12.864 -14.718 1.00 55.21 C ATOM 1250 C TYR A 79 -12.945 -13.945 -14.051 1.00 34.50 C ATOM 1251 O TYR A 79 -11.906 -14.351 -14.573 1.00 31.42 O ATOM 1252 CB TYR A 79 -14.615 -13.472 -15.853 1.00 24.44 C ATOM 1253 CG TYR A 79 -13.774 -14.081 -16.953 1.00 72.14 C ATOM 1254 CD1 TYR A 79 -13.333 -15.396 -16.870 1.00 2.14 C ATOM 1255 CD2 TYR A 79 -13.424 -13.342 -18.076 1.00 72.22 C ATOM 1256 CE1 TYR A 79 -12.565 -15.956 -17.872 1.00 64.41 C ATOM 1257 CE2 TYR A 79 -12.658 -13.895 -19.084 1.00 45.55 C ATOM 1258 CZ TYR A 79 -12.230 -15.201 -18.978 1.00 22.24 C ATOM 1259 OH TYR A 79 -11.467 -15.756 -19.979 1.00 24.05 O ATOM 0 H TYR A 79 -12.490 -11.990 -16.114 1.00 63.20 H new ATOM 0 HA TYR A 79 -14.462 -12.444 -13.972 1.00 55.21 H new ATOM 0 HB2 TYR A 79 -15.272 -14.238 -15.443 1.00 24.44 H new ATOM 0 HB3 TYR A 79 -15.254 -12.699 -16.281 1.00 24.44 H new ATOM 0 HD1 TYR A 79 -13.595 -15.990 -16.007 1.00 2.14 H new ATOM 0 HD2 TYR A 79 -13.756 -12.318 -18.163 1.00 72.22 H new ATOM 0 HE1 TYR A 79 -12.228 -16.979 -17.791 1.00 64.41 H new ATOM 0 HE2 TYR A 79 -12.396 -13.307 -19.951 1.00 45.55 H new ATOM 0 HH TYR A 79 -11.322 -15.093 -20.686 1.00 24.05 H new ATOM 1269 N THR A 80 -13.401 -14.411 -12.892 1.00 31.24 N ATOM 1270 CA THR A 80 -12.690 -15.446 -12.152 1.00 11.44 C ATOM 1271 C THR A 80 -13.569 -16.673 -11.939 1.00 71.22 C ATOM 1272 O THR A 80 -14.646 -16.583 -11.348 1.00 62.11 O ATOM 1273 CB THR A 80 -12.211 -14.929 -10.782 1.00 63.13 C ATOM 1274 OG1 THR A 80 -11.586 -15.988 -10.049 1.00 53.31 O ATOM 1275 CG2 THR A 80 -13.374 -14.366 -9.979 1.00 33.22 C ATOM 0 H THR A 80 -14.259 -14.088 -12.446 1.00 31.24 H new ATOM 0 HA THR A 80 -11.823 -15.723 -12.752 1.00 11.44 H new ATOM 0 HB THR A 80 -11.488 -14.131 -10.952 1.00 63.13 H new ATOM 0 HG1 THR A 80 -11.283 -15.650 -9.180 1.00 53.31 H new ATOM 0 HG21 THR A 80 -13.011 -14.007 -9.016 1.00 33.22 H new ATOM 0 HG22 THR A 80 -13.828 -13.540 -10.526 1.00 33.22 H new ATOM 0 HG23 THR A 80 -14.117 -15.147 -9.819 1.00 33.22 H new ATOM 1283 N VAL A 81 -13.105 -17.820 -12.424 1.00 44.15 N ATOM 1284 CA VAL A 81 -13.849 -19.066 -12.286 1.00 32.21 C ATOM 1285 C VAL A 81 -13.498 -19.773 -10.982 1.00 21.44 C ATOM 1286 O VAL A 81 -12.335 -20.093 -10.729 1.00 74.33 O ATOM 1287 CB VAL A 81 -13.572 -20.019 -13.464 1.00 55.01 C ATOM 1288 CG1 VAL A 81 -14.158 -19.459 -14.752 1.00 23.31 C ATOM 1289 CG2 VAL A 81 -12.079 -20.265 -13.611 1.00 4.00 C ATOM 0 H VAL A 81 -12.216 -17.912 -12.916 1.00 44.15 H new ATOM 0 HA VAL A 81 -14.907 -18.804 -12.281 1.00 32.21 H new ATOM 0 HB VAL A 81 -14.055 -20.974 -13.258 1.00 55.01 H new ATOM 0 HG11 VAL A 81 -13.953 -20.145 -15.574 1.00 23.31 H new ATOM 0 HG12 VAL A 81 -15.236 -19.339 -14.640 1.00 23.31 H new ATOM 0 HG13 VAL A 81 -13.706 -18.491 -14.967 1.00 23.31 H new ATOM 0 HG21 VAL A 81 -11.902 -20.940 -14.448 1.00 4.00 H new ATOM 0 HG22 VAL A 81 -11.571 -19.318 -13.795 1.00 4.00 H new ATOM 0 HG23 VAL A 81 -11.692 -20.713 -12.696 1.00 4.00 H new ATOM 1299 N LEU A 82 -14.510 -20.015 -10.156 1.00 31.34 N ATOM 1300 CA LEU A 82 -14.309 -20.686 -8.876 1.00 52.41 C ATOM 1301 C LEU A 82 -14.892 -22.095 -8.903 1.00 33.02 C ATOM 1302 O LEU A 82 -16.110 -22.274 -8.896 1.00 4.21 O ATOM 1303 CB LEU A 82 -14.953 -19.878 -7.747 1.00 65.11 C ATOM 1304 CG LEU A 82 -14.383 -18.478 -7.516 1.00 52.35 C ATOM 1305 CD1 LEU A 82 -15.313 -17.664 -6.629 1.00 1.34 C ATOM 1306 CD2 LEU A 82 -12.994 -18.561 -6.902 1.00 71.31 C ATOM 0 H LEU A 82 -15.478 -19.757 -10.349 1.00 31.34 H new ATOM 0 HA LEU A 82 -13.236 -20.759 -8.697 1.00 52.41 H new ATOM 0 HB2 LEU A 82 -16.019 -19.785 -7.956 1.00 65.11 H new ATOM 0 HB3 LEU A 82 -14.858 -20.445 -6.821 1.00 65.11 H new ATOM 0 HG LEU A 82 -14.301 -17.976 -8.480 1.00 52.35 H new ATOM 0 HD11 LEU A 82 -14.892 -16.671 -6.475 1.00 1.34 H new ATOM 0 HD12 LEU A 82 -16.288 -17.575 -7.109 1.00 1.34 H new ATOM 0 HD13 LEU A 82 -15.427 -18.163 -5.667 1.00 1.34 H new ATOM 0 HD21 LEU A 82 -12.605 -17.555 -6.745 1.00 71.31 H new ATOM 0 HD22 LEU A 82 -13.049 -19.082 -5.946 1.00 71.31 H new ATOM 0 HD23 LEU A 82 -12.331 -19.106 -7.574 1.00 71.31 H new