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= 0.067 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 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) 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 -15.614 -6.216 -11.880 1.00 3.41 N ATOM 125 CA ARG A 9 -15.046 -7.559 -11.838 1.00 14.02 C ATOM 126 C ARG A 9 -16.148 -8.614 -11.846 1.00 63.42 C ATOM 127 O ARG A 9 -17.221 -8.411 -11.280 1.00 52.31 O ATOM 128 CB ARG A 9 -14.173 -7.727 -10.593 1.00 21.22 C ATOM 129 CG ARG A 9 -13.641 -9.139 -10.408 1.00 72.51 C ATOM 130 CD ARG A 9 -14.454 -9.911 -9.381 1.00 30.41 C ATOM 131 NE ARG A 9 -14.286 -9.375 -8.034 1.00 3.14 N ATOM 132 CZ ARG A 9 -13.176 -9.522 -7.318 1.00 61.12 C ATOM 133 NH1 ARG A 9 -12.142 -10.185 -7.819 1.00 73.22 N ATOM 134 NH2 ARG A 9 -13.098 -9.004 -6.099 1.00 25.52 N ATOM 0 HA ARG A 9 -14.429 -7.695 -12.727 1.00 14.02 H new ATOM 0 HB2 ARG A 9 -13.332 -7.036 -10.653 1.00 21.22 H new ATOM 0 HB3 ARG A 9 -14.752 -7.448 -9.713 1.00 21.22 H new ATOM 0 HG2 ARG A 9 -13.664 -9.665 -11.362 1.00 72.51 H new ATOM 0 HG3 ARG A 9 -12.599 -9.098 -10.092 1.00 72.51 H new ATOM 0 HD2 ARG A 9 -15.509 -9.878 -9.655 1.00 30.41 H new ATOM 0 HD3 ARG A 9 -14.153 -10.959 -9.394 1.00 30.41 H new ATOM 0 HE ARG A 9 -15.063 -8.860 -7.620 1.00 3.14 H new ATOM 0 HH11 ARG A 9 -12.197 -10.584 -8.756 1.00 73.22 H new ATOM 0 HH12 ARG A 9 -11.291 -10.296 -7.267 1.00 73.22 H new ATOM 0 HH21 ARG A 9 -13.890 -8.492 -5.711 1.00 25.52 H new ATOM 0 HH22 ARG A 9 -12.246 -9.117 -5.550 1.00 25.52 H new ATOM 148 N ALA A 10 -15.873 -9.743 -12.493 1.00 11.13 N ATOM 149 CA ALA A 10 -16.839 -10.831 -12.574 1.00 74.31 C ATOM 150 C ALA A 10 -16.402 -12.018 -11.722 1.00 51.03 C ATOM 151 O ALA A 10 -15.290 -12.523 -11.869 1.00 4.50 O ATOM 152 CB ALA A 10 -17.032 -11.259 -14.021 1.00 23.21 C ATOM 0 H ALA A 10 -14.989 -9.927 -12.968 1.00 11.13 H new ATOM 0 HA ALA A 10 -17.790 -10.469 -12.184 1.00 74.31 H new ATOM 0 HB1 ALA A 10 -17.756 -12.072 -14.066 1.00 23.21 H new ATOM 0 HB2 ALA A 10 -17.398 -10.414 -14.605 1.00 23.21 H new ATOM 0 HB3 ALA A 10 -16.080 -11.597 -14.430 1.00 23.21 H new ATOM 158 N ARG A 11 -17.285 -12.458 -10.832 1.00 33.04 N ATOM 159 CA ARG A 11 -16.989 -13.585 -9.955 1.00 73.03 C ATOM 160 C ARG A 11 -17.785 -14.819 -10.369 1.00 10.23 C ATOM 161 O ARG A 11 -18.980 -14.922 -10.089 1.00 54.11 O ATOM 162 CB ARG A 11 -17.305 -13.225 -8.502 1.00 14.11 C ATOM 163 CG ARG A 11 -16.318 -13.805 -7.502 1.00 40.32 C ATOM 164 CD ARG A 11 -15.047 -12.972 -7.427 1.00 14.41 C ATOM 165 NE ARG A 11 -13.992 -13.651 -6.681 1.00 23.33 N ATOM 166 CZ ARG A 11 -13.996 -13.788 -5.360 1.00 54.22 C ATOM 167 NH1 ARG A 11 -14.997 -13.295 -4.643 1.00 23.42 N ATOM 168 NH2 ARG A 11 -12.999 -14.419 -4.753 1.00 12.32 N ATOM 0 H ARG A 11 -18.211 -12.052 -10.699 1.00 33.04 H new ATOM 0 HA ARG A 11 -15.927 -13.812 -10.043 1.00 73.03 H new ATOM 0 HB2 ARG A 11 -17.317 -12.140 -8.400 1.00 14.11 H new ATOM 0 HB3 ARG A 11 -18.307 -13.579 -8.258 1.00 14.11 H new ATOM 0 HG2 ARG A 11 -16.782 -13.853 -6.517 1.00 40.32 H new ATOM 0 HG3 ARG A 11 -16.068 -14.827 -7.786 1.00 40.32 H new ATOM 0 HD2 ARG A 11 -14.696 -12.755 -8.436 1.00 14.41 H new ATOM 0 HD3 ARG A 11 -15.268 -12.015 -6.954 1.00 14.41 H new ATOM 0 HE ARG A 11 -13.208 -14.042 -7.203 1.00 23.33 H new ATOM 0 HH11 ARG A 11 -15.765 -12.810 -5.106 1.00 23.42 H new ATOM 0 HH12 ARG A 11 -14.998 -13.401 -3.629 1.00 23.42 H new ATOM 0 HH21 ARG A 11 -12.228 -14.800 -5.301 1.00 12.32 H new ATOM 0 HH22 ARG A 11 -13.004 -14.523 -3.738 1.00 12.32 H new ATOM 182 N ILE A 12 -17.115 -15.754 -11.035 1.00 41.55 N ATOM 183 CA ILE A 12 -17.760 -16.981 -11.486 1.00 41.44 C ATOM 184 C ILE A 12 -17.560 -18.108 -10.479 1.00 61.23 C ATOM 185 O ILE A 12 -16.490 -18.241 -9.885 1.00 14.51 O ATOM 186 CB ILE A 12 -17.219 -17.428 -12.857 1.00 33.44 C ATOM 187 CG1 ILE A 12 -17.450 -16.336 -13.902 1.00 42.32 C ATOM 188 CG2 ILE A 12 -17.882 -18.729 -13.287 1.00 51.33 C ATOM 189 CD1 ILE A 12 -16.544 -16.452 -15.108 1.00 61.34 C ATOM 0 H ILE A 12 -16.126 -15.685 -11.274 1.00 41.55 H new ATOM 0 HA ILE A 12 -18.824 -16.765 -11.578 1.00 41.44 H new ATOM 0 HB ILE A 12 -16.146 -17.599 -12.770 1.00 33.44 H new ATOM 0 HG12 ILE A 12 -18.488 -16.374 -14.232 1.00 42.32 H new ATOM 0 HG13 ILE A 12 -17.299 -15.362 -13.437 1.00 42.32 H new ATOM 0 HG21 ILE A 12 -17.490 -19.033 -14.258 1.00 51.33 H new ATOM 0 HG22 ILE A 12 -17.672 -19.505 -12.551 1.00 51.33 H new ATOM 0 HG23 ILE A 12 -18.959 -18.581 -13.361 1.00 51.33 H new ATOM 0 HD11 ILE A 12 -16.764 -15.645 -15.807 1.00 61.34 H new ATOM 0 HD12 ILE A 12 -15.504 -16.383 -14.790 1.00 61.34 H new ATOM 0 HD13 ILE A 12 -16.711 -17.412 -15.597 1.00 61.34 H new ATOM 201 N TYR A 13 -18.595 -18.919 -10.296 1.00 31.35 N ATOM 202 CA TYR A 13 -18.534 -20.038 -9.361 1.00 43.41 C ATOM 203 C TYR A 13 -19.264 -21.255 -9.919 1.00 60.20 C ATOM 204 O TYR A 13 -20.406 -21.158 -10.367 1.00 72.44 O ATOM 205 CB TYR A 13 -19.140 -19.637 -8.015 1.00 32.22 C ATOM 206 CG TYR A 13 -19.321 -20.798 -7.064 1.00 14.13 C ATOM 207 CD1 TYR A 13 -18.252 -21.617 -6.725 1.00 24.32 C ATOM 208 CD2 TYR A 13 -20.562 -21.077 -6.504 1.00 55.15 C ATOM 209 CE1 TYR A 13 -18.412 -22.679 -5.857 1.00 35.23 C ATOM 210 CE2 TYR A 13 -20.733 -22.136 -5.634 1.00 24.21 C ATOM 211 CZ TYR A 13 -19.655 -22.934 -5.313 1.00 21.22 C ATOM 212 OH TYR A 13 -19.820 -23.992 -4.448 1.00 52.30 O ATOM 0 H TYR A 13 -19.487 -18.824 -10.782 1.00 31.35 H new ATOM 0 HA TYR A 13 -17.486 -20.302 -9.216 1.00 43.41 H new ATOM 0 HB2 TYR A 13 -18.500 -18.890 -7.546 1.00 32.22 H new ATOM 0 HB3 TYR A 13 -20.107 -19.165 -8.187 1.00 32.22 H new ATOM 0 HD1 TYR A 13 -17.278 -21.420 -7.148 1.00 24.32 H new ATOM 0 HD2 TYR A 13 -21.408 -20.454 -6.754 1.00 55.15 H new ATOM 0 HE1 TYR A 13 -17.570 -23.306 -5.605 1.00 35.23 H new ATOM 0 HE2 TYR A 13 -21.705 -22.338 -5.208 1.00 24.21 H new ATOM 0 HH TYR A 13 -20.754 -24.032 -4.155 1.00 52.30 H new ATOM 468 N TRP A 30 -24.599 -22.396 -13.281 1.00 34.35 N ATOM 469 CA TRP A 30 -23.423 -21.693 -12.782 1.00 44.43 C ATOM 470 C TRP A 30 -23.817 -20.383 -12.108 1.00 2.24 C ATOM 471 O TRP A 30 -24.883 -19.829 -12.379 1.00 25.23 O ATOM 472 CB TRP A 30 -22.445 -21.417 -13.927 1.00 34.21 C ATOM 473 CG TRP A 30 -21.589 -22.597 -14.273 1.00 63.00 C ATOM 474 CD1 TRP A 30 -21.990 -23.749 -14.889 1.00 41.34 C ATOM 475 CD2 TRP A 30 -20.188 -22.742 -14.022 1.00 4.41 C ATOM 476 NE1 TRP A 30 -20.921 -24.600 -15.036 1.00 74.21 N ATOM 477 CE2 TRP A 30 -19.804 -24.005 -14.512 1.00 34.50 C ATOM 478 CE3 TRP A 30 -19.218 -21.927 -13.431 1.00 32.21 C ATOM 479 CZ2 TRP A 30 -18.494 -24.470 -14.429 1.00 74.11 C ATOM 480 CZ3 TRP A 30 -17.919 -22.390 -13.349 1.00 65.10 C ATOM 481 CH2 TRP A 30 -17.565 -23.651 -13.846 1.00 73.21 C ATOM 0 HA TRP A 30 -22.937 -22.329 -12.042 1.00 44.43 H new ATOM 0 HB2 TRP A 30 -23.007 -21.113 -14.810 1.00 34.21 H new ATOM 0 HB3 TRP A 30 -21.803 -20.579 -13.654 1.00 34.21 H new ATOM 0 HD1 TRP A 30 -22.999 -23.960 -15.213 1.00 41.34 H new ATOM 0 HE1 TRP A 30 -20.954 -25.525 -15.466 1.00 74.21 H new ATOM 0 HE3 TRP A 30 -19.480 -20.953 -13.045 1.00 32.21 H new ATOM 0 HZ2 TRP A 30 -18.221 -25.442 -14.811 1.00 74.11 H new ATOM 0 HZ3 TRP A 30 -17.162 -21.768 -12.893 1.00 65.10 H new ATOM 0 HH2 TRP A 30 -16.540 -23.983 -13.768 1.00 73.21 H new ATOM 492 N LYS A 31 -22.951 -19.892 -11.227 1.00 31.44 N ATOM 493 CA LYS A 31 -23.208 -18.648 -10.514 1.00 45.51 C ATOM 494 C LYS A 31 -22.252 -17.550 -10.974 1.00 52.11 C ATOM 495 O LYS A 31 -21.064 -17.797 -11.186 1.00 54.44 O ATOM 496 CB LYS A 31 -23.066 -18.861 -9.005 1.00 71.32 C ATOM 497 CG LYS A 31 -24.283 -19.510 -8.366 1.00 23.20 C ATOM 498 CD LYS A 31 -24.173 -21.026 -8.371 1.00 52.02 C ATOM 499 CE LYS A 31 -24.948 -21.644 -7.218 1.00 33.12 C ATOM 500 NZ LYS A 31 -24.885 -23.132 -7.242 1.00 74.13 N ATOM 0 H LYS A 31 -22.065 -20.338 -10.990 1.00 31.44 H new ATOM 0 HA LYS A 31 -24.228 -18.336 -10.736 1.00 45.51 H new ATOM 0 HB2 LYS A 31 -22.191 -19.483 -8.815 1.00 71.32 H new ATOM 0 HB3 LYS A 31 -22.884 -17.899 -8.526 1.00 71.32 H new ATOM 0 HG2 LYS A 31 -24.390 -19.155 -7.341 1.00 23.20 H new ATOM 0 HG3 LYS A 31 -25.182 -19.208 -8.903 1.00 23.20 H new ATOM 0 HD2 LYS A 31 -24.551 -21.416 -9.316 1.00 52.02 H new ATOM 0 HD3 LYS A 31 -23.125 -21.316 -8.303 1.00 52.02 H new ATOM 0 HE2 LYS A 31 -24.546 -21.279 -6.273 1.00 33.12 H new ATOM 0 HE3 LYS A 31 -25.989 -21.324 -7.267 1.00 33.12 H new ATOM 0 HZ1 LYS A 31 -25.425 -23.515 -6.440 1.00 74.13 H new ATOM 0 HZ2 LYS A 31 -25.292 -23.482 -8.133 1.00 74.13 H new ATOM 0 HZ3 LYS A 31 -23.894 -23.439 -7.170 1.00 74.13 H new ATOM 514 N LEU A 32 -22.778 -16.340 -11.124 1.00 74.43 N ATOM 515 CA LEU A 32 -21.972 -15.204 -11.558 1.00 3.41 C ATOM 516 C LEU A 32 -22.280 -13.967 -10.722 1.00 54.51 C ATOM 517 O LEU A 32 -23.441 -13.598 -10.546 1.00 41.04 O ATOM 518 CB LEU A 32 -22.225 -14.909 -13.038 1.00 1.54 C ATOM 519 CG LEU A 32 -21.262 -13.922 -13.699 1.00 63.04 C ATOM 520 CD1 LEU A 32 -21.590 -12.496 -13.284 1.00 34.31 C ATOM 521 CD2 LEU A 32 -19.822 -14.264 -13.346 1.00 43.21 C ATOM 0 H LEU A 32 -23.759 -16.120 -10.952 1.00 74.43 H new ATOM 0 HA LEU A 32 -20.922 -15.462 -11.419 1.00 3.41 H new ATOM 0 HB2 LEU A 32 -22.184 -15.849 -13.588 1.00 1.54 H new ATOM 0 HB3 LEU A 32 -23.239 -14.522 -13.143 1.00 1.54 H new ATOM 0 HG LEU A 32 -21.379 -14.000 -14.780 1.00 63.04 H new ATOM 0 HD11 LEU A 32 -20.894 -11.808 -13.764 1.00 34.31 H new ATOM 0 HD12 LEU A 32 -22.608 -12.254 -13.588 1.00 34.31 H new ATOM 0 HD13 LEU A 32 -21.503 -12.403 -12.201 1.00 34.31 H new ATOM 0 HD21 LEU A 32 -19.151 -13.551 -13.825 1.00 43.21 H new ATOM 0 HD22 LEU A 32 -19.691 -14.216 -12.265 1.00 43.21 H new ATOM 0 HD23 LEU A 32 -19.591 -15.271 -13.695 1.00 43.21 H new ATOM 533 N GLU A 33 -21.231 -13.329 -10.209 1.00 72.33 N ATOM 534 CA GLU A 33 -21.392 -12.132 -9.391 1.00 41.44 C ATOM 535 C GLU A 33 -20.522 -10.994 -9.918 1.00 53.22 C ATOM 536 O GLU A 33 -19.309 -10.977 -9.710 1.00 21.11 O ATOM 537 CB GLU A 33 -21.033 -12.430 -7.934 1.00 23.23 C ATOM 538 CG GLU A 33 -21.626 -13.730 -7.416 1.00 11.33 C ATOM 539 CD GLU A 33 -23.140 -13.691 -7.341 1.00 14.41 C ATOM 540 OE1 GLU A 33 -23.675 -12.876 -6.561 1.00 2.53 O ATOM 541 OE2 GLU A 33 -23.789 -14.476 -8.063 1.00 12.15 O ATOM 0 H GLU A 33 -20.263 -13.621 -10.345 1.00 72.33 H new ATOM 0 HA GLU A 33 -22.436 -11.824 -9.444 1.00 41.44 H new ATOM 0 HB2 GLU A 33 -19.948 -12.471 -7.837 1.00 23.23 H new ATOM 0 HB3 GLU A 33 -21.378 -11.608 -7.308 1.00 23.23 H new ATOM 0 HG2 GLU A 33 -21.319 -14.549 -8.066 1.00 11.33 H new ATOM 0 HG3 GLU A 33 -21.222 -13.940 -6.426 1.00 11.33 H new ATOM 548 N PHE A 34 -21.151 -10.043 -10.602 1.00 20.23 N ATOM 549 CA PHE A 34 -20.436 -8.902 -11.160 1.00 23.22 C ATOM 550 C PHE A 34 -20.597 -7.672 -10.272 1.00 53.43 C ATOM 551 O PHE A 34 -21.702 -7.346 -9.841 1.00 72.44 O ATOM 552 CB PHE A 34 -20.942 -8.597 -12.571 1.00 60.12 C ATOM 553 CG PHE A 34 -22.357 -8.093 -12.605 1.00 1.14 C ATOM 554 CD1 PHE A 34 -23.418 -8.976 -12.720 1.00 71.21 C ATOM 555 CD2 PHE A 34 -22.625 -6.736 -12.521 1.00 42.03 C ATOM 556 CE1 PHE A 34 -24.721 -8.516 -12.751 1.00 13.45 C ATOM 557 CE2 PHE A 34 -23.926 -6.270 -12.551 1.00 65.52 C ATOM 558 CZ PHE A 34 -24.975 -7.161 -12.667 1.00 2.11 C ATOM 0 H PHE A 34 -22.155 -10.041 -10.783 1.00 20.23 H new ATOM 0 HA PHE A 34 -19.377 -9.157 -11.209 1.00 23.22 H new ATOM 0 HB2 PHE A 34 -20.289 -7.854 -13.030 1.00 60.12 H new ATOM 0 HB3 PHE A 34 -20.872 -9.501 -13.177 1.00 60.12 H new ATOM 0 HD1 PHE A 34 -23.225 -10.037 -12.786 1.00 71.21 H new ATOM 0 HD2 PHE A 34 -21.808 -6.035 -12.431 1.00 42.03 H new ATOM 0 HE1 PHE A 34 -25.539 -9.215 -12.841 1.00 13.45 H new ATOM 0 HE2 PHE A 34 -24.122 -5.210 -12.484 1.00 65.52 H new ATOM 0 HZ PHE A 34 -25.992 -6.799 -12.692 1.00 2.11 H new ATOM 568 N GLU A 35 -19.485 -6.994 -10.003 1.00 75.22 N ATOM 569 CA GLU A 35 -19.505 -5.800 -9.165 1.00 4.12 C ATOM 570 C GLU A 35 -20.317 -4.688 -9.821 1.00 41.30 C ATOM 571 O GLU A 35 -20.552 -4.686 -11.029 1.00 75.24 O ATOM 572 CB GLU A 35 -18.078 -5.315 -8.898 1.00 3.23 C ATOM 573 CG GLU A 35 -17.469 -5.885 -7.628 1.00 14.31 C ATOM 574 CD GLU A 35 -17.673 -7.382 -7.504 1.00 10.34 C ATOM 575 OE1 GLU A 35 -17.422 -8.099 -8.494 1.00 20.55 O ATOM 576 OE2 GLU A 35 -18.082 -7.837 -6.414 1.00 55.43 O ATOM 0 H GLU A 35 -18.561 -7.250 -10.352 1.00 75.22 H new ATOM 0 HA GLU A 35 -19.977 -6.060 -8.217 1.00 4.12 H new ATOM 0 HB2 GLU A 35 -17.447 -5.584 -9.746 1.00 3.23 H new ATOM 0 HB3 GLU A 35 -18.079 -4.227 -8.834 1.00 3.23 H new ATOM 0 HG2 GLU A 35 -16.402 -5.665 -7.611 1.00 14.31 H new ATOM 0 HG3 GLU A 35 -17.911 -5.389 -6.764 1.00 14.31 H new ATOM 946 N LEU A 60 -26.231 -12.939 -10.235 1.00 34.33 N ATOM 947 CA LEU A 60 -26.721 -13.336 -11.550 1.00 62.03 C ATOM 948 C LEU A 60 -26.346 -14.782 -11.858 1.00 23.35 C ATOM 949 O LEU A 60 -25.176 -15.160 -11.785 1.00 54.54 O ATOM 950 CB LEU A 60 -26.154 -12.411 -12.628 1.00 42.51 C ATOM 951 CG LEU A 60 -26.223 -12.930 -14.064 1.00 64.22 C ATOM 952 CD1 LEU A 60 -27.663 -13.218 -14.459 1.00 22.00 C ATOM 953 CD2 LEU A 60 -25.594 -11.931 -15.024 1.00 63.52 C ATOM 0 HA LEU A 60 -27.808 -13.255 -11.544 1.00 62.03 H new ATOM 0 HB2 LEU A 60 -26.687 -11.462 -12.580 1.00 42.51 H new ATOM 0 HB3 LEU A 60 -25.111 -12.203 -12.388 1.00 42.51 H new ATOM 0 HG LEU A 60 -25.659 -13.861 -14.120 1.00 64.22 H new ATOM 0 HD11 LEU A 60 -27.692 -13.587 -15.484 1.00 22.00 H new ATOM 0 HD12 LEU A 60 -28.080 -13.971 -13.791 1.00 22.00 H new ATOM 0 HD13 LEU A 60 -28.250 -12.303 -14.386 1.00 22.00 H new ATOM 0 HD21 LEU A 60 -25.652 -12.318 -16.041 1.00 63.52 H new ATOM 0 HD22 LEU A 60 -26.129 -10.983 -14.965 1.00 63.52 H new ATOM 0 HD23 LEU A 60 -24.549 -11.775 -14.754 1.00 63.52 H new ATOM 965 N SER A 61 -27.345 -15.587 -12.202 1.00 33.43 N ATOM 966 CA SER A 61 -27.120 -16.993 -12.519 1.00 14.22 C ATOM 967 C SER A 61 -27.022 -17.201 -14.027 1.00 32.04 C ATOM 968 O SER A 61 -27.582 -16.432 -14.809 1.00 62.50 O ATOM 969 CB SER A 61 -28.249 -17.854 -11.947 1.00 52.01 C ATOM 970 OG SER A 61 -28.665 -17.373 -10.680 1.00 62.20 O ATOM 0 H SER A 61 -28.319 -15.290 -12.269 1.00 33.43 H new ATOM 0 HA SER A 61 -26.176 -17.295 -12.065 1.00 14.22 H new ATOM 0 HB2 SER A 61 -29.095 -17.855 -12.635 1.00 52.01 H new ATOM 0 HB3 SER A 61 -27.912 -18.887 -11.855 1.00 52.01 H new ATOM 0 HG SER A 61 -29.388 -17.939 -10.337 1.00 62.20 H new ATOM 976 N PHE A 62 -26.306 -18.246 -14.428 1.00 45.42 N ATOM 977 CA PHE A 62 -26.132 -18.556 -15.842 1.00 43.32 C ATOM 978 C PHE A 62 -26.270 -20.055 -16.092 1.00 54.22 C ATOM 979 O PHE A 62 -26.096 -20.867 -15.182 1.00 64.15 O ATOM 980 CB PHE A 62 -24.764 -18.071 -16.328 1.00 71.12 C ATOM 981 CG PHE A 62 -24.745 -16.620 -16.713 1.00 42.05 C ATOM 982 CD1 PHE A 62 -25.502 -16.162 -17.780 1.00 43.13 C ATOM 983 CD2 PHE A 62 -23.970 -15.712 -16.009 1.00 22.11 C ATOM 984 CE1 PHE A 62 -25.487 -14.827 -18.138 1.00 12.43 C ATOM 985 CE2 PHE A 62 -23.951 -14.376 -16.362 1.00 2.23 C ATOM 986 CZ PHE A 62 -24.709 -13.933 -17.427 1.00 63.14 C ATOM 0 H PHE A 62 -25.837 -18.892 -13.794 1.00 45.42 H new ATOM 0 HA PHE A 62 -26.913 -18.039 -16.400 1.00 43.32 H new ATOM 0 HB2 PHE A 62 -24.027 -18.240 -15.543 1.00 71.12 H new ATOM 0 HB3 PHE A 62 -24.459 -18.670 -17.186 1.00 71.12 H new ATOM 0 HD1 PHE A 62 -26.111 -16.857 -18.339 1.00 43.13 H new ATOM 0 HD2 PHE A 62 -23.374 -16.052 -15.175 1.00 22.11 H new ATOM 0 HE1 PHE A 62 -26.082 -14.483 -18.971 1.00 12.43 H new ATOM 0 HE2 PHE A 62 -23.343 -13.679 -15.805 1.00 2.23 H new ATOM 0 HZ PHE A 62 -24.694 -12.889 -17.704 1.00 63.14 H new ATOM 996 N THR A 63 -26.587 -20.416 -17.332 1.00 4.52 N ATOM 997 CA THR A 63 -26.751 -21.816 -17.702 1.00 42.12 C ATOM 998 C THR A 63 -25.440 -22.581 -17.557 1.00 42.23 C ATOM 999 O THR A 63 -25.378 -23.606 -16.878 1.00 14.44 O ATOM 1000 CB THR A 63 -27.257 -21.959 -19.149 1.00 51.23 C ATOM 1001 OG1 THR A 63 -27.969 -20.779 -19.538 1.00 2.41 O ATOM 1002 CG2 THR A 63 -28.164 -23.173 -19.288 1.00 45.50 C ATOM 0 H THR A 63 -26.735 -19.758 -18.097 1.00 4.52 H new ATOM 0 HA THR A 63 -27.492 -22.237 -17.022 1.00 42.12 H new ATOM 0 HB THR A 63 -26.394 -22.094 -19.800 1.00 51.23 H new ATOM 0 HG1 THR A 63 -28.286 -20.877 -20.460 1.00 2.41 H new ATOM 0 HG21 THR A 63 -28.509 -23.253 -20.319 1.00 45.50 H new ATOM 0 HG22 THR A 63 -27.611 -24.073 -19.019 1.00 45.50 H new ATOM 0 HG23 THR A 63 -29.023 -23.063 -18.626 1.00 45.50 H new ATOM 1010 N THR A 64 -24.391 -22.075 -18.199 1.00 62.33 N ATOM 1011 CA THR A 64 -23.080 -22.711 -18.141 1.00 60.24 C ATOM 1012 C THR A 64 -21.974 -21.676 -17.977 1.00 1.43 C ATOM 1013 O THR A 64 -22.201 -20.477 -18.146 1.00 72.24 O ATOM 1014 CB THR A 64 -22.804 -23.543 -19.408 1.00 21.14 C ATOM 1015 OG1 THR A 64 -22.949 -22.724 -20.574 1.00 20.24 O ATOM 1016 CG2 THR A 64 -23.753 -24.729 -19.494 1.00 51.11 C ATOM 0 H THR A 64 -24.424 -21.227 -18.765 1.00 62.33 H new ATOM 0 HA THR A 64 -23.087 -23.372 -17.274 1.00 60.24 H new ATOM 0 HB THR A 64 -21.782 -23.919 -19.353 1.00 21.14 H new ATOM 0 HG1 THR A 64 -22.770 -23.260 -21.375 1.00 20.24 H new ATOM 0 HG21 THR A 64 -23.539 -25.301 -20.397 1.00 51.11 H new ATOM 0 HG22 THR A 64 -23.619 -25.366 -18.620 1.00 51.11 H new ATOM 0 HG23 THR A 64 -24.782 -24.370 -19.527 1.00 51.11 H new ATOM 1024 N ARG A 65 -20.776 -22.144 -17.645 1.00 63.41 N ATOM 1025 CA ARG A 65 -19.633 -21.259 -17.457 1.00 62.13 C ATOM 1026 C ARG A 65 -19.431 -20.365 -18.677 1.00 72.03 C ATOM 1027 O ARG A 65 -19.145 -19.175 -18.547 1.00 31.22 O ATOM 1028 CB ARG A 65 -18.366 -22.074 -17.193 1.00 22.02 C ATOM 1029 CG ARG A 65 -18.189 -23.249 -18.141 1.00 35.23 C ATOM 1030 CD ARG A 65 -16.832 -23.911 -17.961 1.00 13.02 C ATOM 1031 NE ARG A 65 -16.893 -25.040 -17.036 1.00 24.40 N ATOM 1032 CZ ARG A 65 -17.391 -26.228 -17.359 1.00 15.23 C ATOM 1033 NH1 ARG A 65 -17.871 -26.441 -18.577 1.00 24.34 N ATOM 1034 NH2 ARG A 65 -17.411 -27.207 -16.462 1.00 44.11 N ATOM 0 H ARG A 65 -20.571 -23.133 -17.500 1.00 63.41 H new ATOM 0 HA ARG A 65 -19.835 -20.626 -16.593 1.00 62.13 H new ATOM 0 HB2 ARG A 65 -17.499 -21.418 -17.275 1.00 22.02 H new ATOM 0 HB3 ARG A 65 -18.390 -22.445 -16.168 1.00 22.02 H new ATOM 0 HG2 ARG A 65 -18.978 -23.981 -17.966 1.00 35.23 H new ATOM 0 HG3 ARG A 65 -18.294 -22.906 -19.170 1.00 35.23 H new ATOM 0 HD2 ARG A 65 -16.465 -24.254 -18.928 1.00 13.02 H new ATOM 0 HD3 ARG A 65 -16.117 -23.177 -17.590 1.00 13.02 H new ATOM 0 HE ARG A 65 -16.534 -24.909 -16.091 1.00 24.40 H new ATOM 0 HH11 ARG A 65 -17.858 -25.691 -19.269 1.00 24.34 H new ATOM 0 HH12 ARG A 65 -18.253 -27.355 -18.822 1.00 24.34 H new ATOM 0 HH21 ARG A 65 -17.044 -27.047 -15.524 1.00 44.11 H new ATOM 0 HH22 ARG A 65 -17.794 -28.119 -16.711 1.00 44.11 H new ATOM 1048 N GLU A 66 -19.580 -20.949 -19.863 1.00 41.11 N ATOM 1049 CA GLU A 66 -19.412 -20.205 -21.106 1.00 34.31 C ATOM 1050 C GLU A 66 -20.259 -18.936 -21.099 1.00 42.52 C ATOM 1051 O GLU A 66 -19.855 -17.903 -21.635 1.00 2.32 O ATOM 1052 CB GLU A 66 -19.793 -21.079 -22.304 1.00 42.43 C ATOM 1053 CG GLU A 66 -18.725 -22.091 -22.682 1.00 40.10 C ATOM 1054 CD GLU A 66 -19.159 -23.001 -23.814 1.00 4.33 C ATOM 1055 OE1 GLU A 66 -20.373 -23.053 -24.102 1.00 20.33 O ATOM 1056 OE2 GLU A 66 -18.284 -23.661 -24.413 1.00 1.32 O ATOM 0 H GLU A 66 -19.816 -21.933 -19.989 1.00 41.11 H new ATOM 0 HA GLU A 66 -18.363 -19.921 -21.191 1.00 34.31 H new ATOM 0 HB2 GLU A 66 -20.719 -21.608 -22.078 1.00 42.43 H new ATOM 0 HB3 GLU A 66 -19.994 -20.437 -23.162 1.00 42.43 H new ATOM 0 HG2 GLU A 66 -17.817 -21.564 -22.973 1.00 40.10 H new ATOM 0 HG3 GLU A 66 -18.477 -22.695 -21.809 1.00 40.10 H new ATOM 1063 N LEU A 67 -21.437 -19.019 -20.489 1.00 25.41 N ATOM 1064 CA LEU A 67 -22.341 -17.879 -20.412 1.00 53.14 C ATOM 1065 C LEU A 67 -21.760 -16.780 -19.527 1.00 31.54 C ATOM 1066 O LEU A 67 -21.895 -15.594 -19.823 1.00 23.03 O ATOM 1067 CB LEU A 67 -23.703 -18.318 -19.872 1.00 14.45 C ATOM 1068 CG LEU A 67 -24.909 -18.010 -20.759 1.00 63.44 C ATOM 1069 CD1 LEU A 67 -24.920 -16.542 -21.155 1.00 14.43 C ATOM 1070 CD2 LEU A 67 -24.902 -18.896 -21.996 1.00 24.10 C ATOM 0 H LEU A 67 -21.787 -19.865 -20.041 1.00 25.41 H new ATOM 0 HA LEU A 67 -22.468 -17.480 -21.418 1.00 53.14 H new ATOM 0 HB2 LEU A 67 -23.672 -19.393 -19.696 1.00 14.45 H new ATOM 0 HB3 LEU A 67 -23.858 -17.841 -18.904 1.00 14.45 H new ATOM 0 HG LEU A 67 -25.815 -18.219 -20.191 1.00 63.44 H new ATOM 0 HD11 LEU A 67 -25.786 -16.342 -21.786 1.00 14.43 H new ATOM 0 HD12 LEU A 67 -24.974 -15.924 -20.259 1.00 14.43 H new ATOM 0 HD13 LEU A 67 -24.008 -16.306 -21.704 1.00 14.43 H new ATOM 0 HD21 LEU A 67 -25.768 -18.663 -22.616 1.00 24.10 H new ATOM 0 HD22 LEU A 67 -23.990 -18.718 -22.566 1.00 24.10 H new ATOM 0 HD23 LEU A 67 -24.943 -19.943 -21.694 1.00 24.10 H new ATOM 1082 N ALA A 68 -21.113 -17.187 -18.439 1.00 50.41 N ATOM 1083 CA ALA A 68 -20.507 -16.238 -17.512 1.00 71.15 C ATOM 1084 C ALA A 68 -19.347 -15.495 -18.167 1.00 34.42 C ATOM 1085 O ALA A 68 -19.372 -14.270 -18.288 1.00 3.04 O ATOM 1086 CB ALA A 68 -20.036 -16.955 -16.256 1.00 24.22 C ATOM 0 H ALA A 68 -20.995 -18.166 -18.178 1.00 50.41 H new ATOM 0 HA ALA A 68 -21.264 -15.504 -17.235 1.00 71.15 H new ATOM 0 HB1 ALA A 68 -19.586 -16.235 -15.573 1.00 24.22 H new ATOM 0 HB2 ALA A 68 -20.886 -17.434 -15.770 1.00 24.22 H new ATOM 0 HB3 ALA A 68 -19.298 -17.711 -16.524 1.00 24.22 H new ATOM 1092 N ILE A 69 -18.333 -16.245 -18.587 1.00 2.21 N ATOM 1093 CA ILE A 69 -17.164 -15.657 -19.229 1.00 21.03 C ATOM 1094 C ILE A 69 -17.565 -14.813 -20.434 1.00 64.21 C ATOM 1095 O ILE A 69 -16.958 -13.779 -20.710 1.00 2.11 O ATOM 1096 CB ILE A 69 -16.168 -16.739 -19.683 1.00 24.20 C ATOM 1097 CG1 ILE A 69 -15.681 -17.552 -18.482 1.00 2.33 C ATOM 1098 CG2 ILE A 69 -14.991 -16.105 -20.412 1.00 74.34 C ATOM 1099 CD1 ILE A 69 -16.261 -18.948 -18.421 1.00 24.23 C ATOM 0 H ILE A 69 -18.298 -17.260 -18.494 1.00 2.21 H new ATOM 0 HA ILE A 69 -16.683 -15.020 -18.487 1.00 21.03 H new ATOM 0 HB ILE A 69 -16.677 -17.413 -20.372 1.00 24.20 H new ATOM 0 HG12 ILE A 69 -14.594 -17.620 -18.517 1.00 2.33 H new ATOM 0 HG13 ILE A 69 -15.938 -17.020 -17.566 1.00 2.33 H new ATOM 0 HG21 ILE A 69 -14.296 -16.883 -20.727 1.00 74.34 H new ATOM 0 HG22 ILE A 69 -15.353 -15.566 -21.288 1.00 74.34 H new ATOM 0 HG23 ILE A 69 -14.481 -15.411 -19.744 1.00 74.34 H new ATOM 0 HD11 ILE A 69 -15.872 -19.466 -17.544 1.00 24.23 H new ATOM 0 HD12 ILE A 69 -17.347 -18.888 -18.354 1.00 24.23 H new ATOM 0 HD13 ILE A 69 -15.982 -19.497 -19.320 1.00 24.23 H new ATOM 1111 N ALA A 70 -18.593 -15.261 -21.147 1.00 50.23 N ATOM 1112 CA ALA A 70 -19.078 -14.545 -22.321 1.00 33.02 C ATOM 1113 C ALA A 70 -19.711 -13.214 -21.929 1.00 44.31 C ATOM 1114 O ALA A 70 -19.771 -12.284 -22.734 1.00 13.12 O ATOM 1115 CB ALA A 70 -20.077 -15.401 -23.085 1.00 63.43 C ATOM 0 H ALA A 70 -19.106 -16.116 -20.932 1.00 50.23 H new ATOM 0 HA ALA A 70 -18.225 -14.336 -22.967 1.00 33.02 H new ATOM 0 HB1 ALA A 70 -20.431 -14.854 -23.959 1.00 63.43 H new ATOM 0 HB2 ALA A 70 -19.595 -16.324 -23.405 1.00 63.43 H new ATOM 0 HB3 ALA A 70 -20.922 -15.638 -22.439 1.00 63.43 H new ATOM 1121 N TYR A 71 -20.180 -13.130 -20.689 1.00 73.32 N ATOM 1122 CA TYR A 71 -20.812 -11.913 -20.192 1.00 61.31 C ATOM 1123 C TYR A 71 -19.763 -10.880 -19.792 1.00 24.14 C ATOM 1124 O TYR A 71 -19.865 -9.707 -20.145 1.00 42.45 O ATOM 1125 CB TYR A 71 -21.712 -12.232 -18.998 1.00 12.23 C ATOM 1126 CG TYR A 71 -22.333 -11.008 -18.364 1.00 71.44 C ATOM 1127 CD1 TYR A 71 -23.527 -10.483 -18.845 1.00 73.30 C ATOM 1128 CD2 TYR A 71 -21.727 -10.375 -17.286 1.00 61.21 C ATOM 1129 CE1 TYR A 71 -24.098 -9.364 -18.270 1.00 11.42 C ATOM 1130 CE2 TYR A 71 -22.291 -9.257 -16.704 1.00 33.32 C ATOM 1131 CZ TYR A 71 -23.477 -8.755 -17.199 1.00 12.33 C ATOM 1132 OH TYR A 71 -24.042 -7.641 -16.622 1.00 54.35 O ATOM 0 H TYR A 71 -20.135 -13.890 -20.010 1.00 73.32 H new ATOM 0 HA TYR A 71 -21.420 -11.495 -20.994 1.00 61.31 H new ATOM 0 HB2 TYR A 71 -22.506 -12.905 -19.322 1.00 12.23 H new ATOM 0 HB3 TYR A 71 -21.129 -12.764 -18.246 1.00 12.23 H new ATOM 0 HD1 TYR A 71 -24.017 -10.958 -19.682 1.00 73.30 H new ATOM 0 HD2 TYR A 71 -20.798 -10.764 -16.896 1.00 61.21 H new ATOM 0 HE1 TYR A 71 -25.025 -8.968 -18.657 1.00 11.42 H new ATOM 0 HE2 TYR A 71 -21.806 -8.778 -15.866 1.00 33.32 H new ATOM 0 HH TYR A 71 -23.479 -7.336 -15.880 1.00 54.35 H new ATOM 1142 N ALA A 72 -18.754 -11.328 -19.052 1.00 35.04 N ATOM 1143 CA ALA A 72 -17.684 -10.444 -18.603 1.00 63.52 C ATOM 1144 C ALA A 72 -16.842 -9.963 -19.780 1.00 53.43 C ATOM 1145 O ALA A 72 -16.679 -8.761 -19.989 1.00 74.12 O ATOM 1146 CB ALA A 72 -16.809 -11.152 -17.580 1.00 42.22 C ATOM 0 H ALA A 72 -18.655 -12.297 -18.751 1.00 35.04 H new ATOM 0 HA ALA A 72 -18.138 -9.572 -18.133 1.00 63.52 H new ATOM 0 HB1 ALA A 72 -16.015 -10.481 -17.254 1.00 42.22 H new ATOM 0 HB2 ALA A 72 -17.415 -11.442 -16.721 1.00 42.22 H new ATOM 0 HB3 ALA A 72 -16.370 -12.042 -18.031 1.00 42.22 H new ATOM 1152 N VAL A 73 -16.307 -10.909 -20.546 1.00 14.51 N ATOM 1153 CA VAL A 73 -15.481 -10.580 -21.702 1.00 33.13 C ATOM 1154 C VAL A 73 -16.192 -9.596 -22.623 1.00 53.11 C ATOM 1155 O VAL A 73 -15.556 -8.762 -23.267 1.00 40.13 O ATOM 1156 CB VAL A 73 -15.113 -11.842 -22.505 1.00 3.14 C ATOM 1157 CG1 VAL A 73 -14.282 -11.475 -23.724 1.00 24.04 C ATOM 1158 CG2 VAL A 73 -14.372 -12.836 -21.623 1.00 64.41 C ATOM 0 H VAL A 73 -16.431 -11.909 -20.387 1.00 14.51 H new ATOM 0 HA VAL A 73 -14.569 -10.122 -21.320 1.00 33.13 H new ATOM 0 HB VAL A 73 -16.033 -12.313 -22.851 1.00 3.14 H new ATOM 0 HG11 VAL A 73 -14.031 -12.379 -24.279 1.00 24.04 H new ATOM 0 HG12 VAL A 73 -14.853 -10.802 -24.364 1.00 24.04 H new ATOM 0 HG13 VAL A 73 -13.365 -10.980 -23.404 1.00 24.04 H new ATOM 0 HG21 VAL A 73 -14.119 -13.722 -22.206 1.00 64.41 H new ATOM 0 HG22 VAL A 73 -13.458 -12.377 -21.246 1.00 64.41 H new ATOM 0 HG23 VAL A 73 -15.007 -13.122 -20.785 1.00 64.41 H new ATOM 1168 N ALA A 74 -17.516 -9.696 -22.680 1.00 34.22 N ATOM 1169 CA ALA A 74 -18.315 -8.813 -23.521 1.00 2.23 C ATOM 1170 C ALA A 74 -17.975 -7.350 -23.256 1.00 42.23 C ATOM 1171 O ALA A 74 -18.075 -6.508 -24.150 1.00 4.12 O ATOM 1172 CB ALA A 74 -19.797 -9.062 -23.289 1.00 11.11 C ATOM 0 H ALA A 74 -18.058 -10.380 -22.153 1.00 34.22 H new ATOM 0 HA ALA A 74 -18.080 -9.032 -24.563 1.00 2.23 H new ATOM 0 HB1 ALA A 74 -20.382 -8.396 -23.923 1.00 11.11 H new ATOM 0 HB2 ALA A 74 -20.035 -10.097 -23.534 1.00 11.11 H new ATOM 0 HB3 ALA A 74 -20.039 -8.872 -22.243 1.00 11.11 H new ATOM 1178 N HIS A 75 -17.572 -7.053 -22.025 1.00 11.54 N ATOM 1179 CA HIS A 75 -17.217 -5.691 -21.644 1.00 53.41 C ATOM 1180 C HIS A 75 -15.786 -5.629 -21.119 1.00 53.42 C ATOM 1181 O HIS A 75 -15.433 -4.734 -20.350 1.00 71.34 O ATOM 1182 CB HIS A 75 -18.185 -5.167 -20.582 1.00 40.12 C ATOM 1183 CG HIS A 75 -19.483 -4.674 -21.146 1.00 64.51 C ATOM 1184 ND1 HIS A 75 -20.534 -5.510 -21.457 1.00 21.14 N ATOM 1185 CD2 HIS A 75 -19.896 -3.422 -21.453 1.00 1.02 C ATOM 1186 CE1 HIS A 75 -21.537 -4.794 -21.932 1.00 73.43 C ATOM 1187 NE2 HIS A 75 -21.176 -3.524 -21.940 1.00 63.12 N ATOM 0 H HIS A 75 -17.483 -7.738 -21.274 1.00 11.54 H new ATOM 0 HA HIS A 75 -17.287 -5.062 -22.531 1.00 53.41 H new ATOM 0 HB2 HIS A 75 -18.389 -5.961 -19.864 1.00 40.12 H new ATOM 0 HB3 HIS A 75 -17.705 -4.356 -20.033 1.00 40.12 H new ATOM 0 HD2 HIS A 75 -19.325 -2.512 -21.337 1.00 1.02 H new ATOM 0 HE1 HIS A 75 -22.491 -5.182 -22.259 1.00 73.43 H new ATOM 0 HE2 HIS A 75 -21.754 -2.745 -22.256 1.00 63.12 H new ATOM 1195 N LYS A 76 -14.965 -6.586 -21.538 1.00 72.33 N ATOM 1196 CA LYS A 76 -13.572 -6.641 -21.111 1.00 74.11 C ATOM 1197 C LYS A 76 -13.466 -6.574 -19.591 1.00 0.43 C ATOM 1198 O LYS A 76 -12.778 -5.709 -19.046 1.00 21.42 O ATOM 1199 CB LYS A 76 -12.779 -5.493 -21.740 1.00 33.31 C ATOM 1200 CG LYS A 76 -12.451 -5.713 -23.207 1.00 40.20 C ATOM 1201 CD LYS A 76 -11.115 -6.414 -23.380 1.00 5.41 C ATOM 1202 CE LYS A 76 -11.283 -7.924 -23.455 1.00 32.33 C ATOM 1203 NZ LYS A 76 -10.172 -8.570 -24.209 1.00 41.15 N ATOM 0 H LYS A 76 -15.241 -7.335 -22.173 1.00 72.33 H new ATOM 0 HA LYS A 76 -13.152 -7.590 -21.445 1.00 74.11 H new ATOM 0 HB2 LYS A 76 -13.350 -4.570 -21.638 1.00 33.31 H new ATOM 0 HB3 LYS A 76 -11.851 -5.357 -21.185 1.00 33.31 H new ATOM 0 HG2 LYS A 76 -13.238 -6.307 -23.672 1.00 40.20 H new ATOM 0 HG3 LYS A 76 -12.429 -4.754 -23.724 1.00 40.20 H new ATOM 0 HD2 LYS A 76 -10.630 -6.055 -24.288 1.00 5.41 H new ATOM 0 HD3 LYS A 76 -10.460 -6.161 -22.547 1.00 5.41 H new ATOM 0 HE2 LYS A 76 -11.324 -8.335 -22.446 1.00 32.33 H new ATOM 0 HE3 LYS A 76 -12.233 -8.160 -23.935 1.00 32.33 H new ATOM 0 HZ1 LYS A 76 -10.324 -9.598 -24.237 1.00 41.15 H new ATOM 0 HZ2 LYS A 76 -10.148 -8.197 -25.179 1.00 41.15 H new ATOM 0 HZ3 LYS A 76 -9.268 -8.366 -23.737 1.00 41.15 H new ATOM 1217 N ILE A 77 -14.149 -7.490 -18.913 1.00 61.32 N ATOM 1218 CA ILE A 77 -14.128 -7.535 -17.456 1.00 71.25 C ATOM 1219 C ILE A 77 -13.336 -8.738 -16.955 1.00 31.21 C ATOM 1220 O ILE A 77 -13.383 -9.817 -17.548 1.00 11.51 O ATOM 1221 CB ILE A 77 -15.552 -7.593 -16.875 1.00 73.52 C ATOM 1222 CG1 ILE A 77 -16.370 -6.391 -17.349 1.00 63.34 C ATOM 1223 CG2 ILE A 77 -15.503 -7.642 -15.355 1.00 43.53 C ATOM 1224 CD1 ILE A 77 -17.860 -6.554 -17.145 1.00 13.21 C ATOM 0 H ILE A 77 -14.724 -8.211 -19.349 1.00 61.32 H new ATOM 0 HA ILE A 77 -13.644 -6.619 -17.118 1.00 71.25 H new ATOM 0 HB ILE A 77 -16.037 -8.501 -17.233 1.00 73.52 H new ATOM 0 HG12 ILE A 77 -16.034 -5.501 -16.817 1.00 63.34 H new ATOM 0 HG13 ILE A 77 -16.173 -6.223 -18.408 1.00 63.34 H new ATOM 0 HG21 ILE A 77 -16.518 -7.683 -14.959 1.00 43.53 H new ATOM 0 HG22 ILE A 77 -14.954 -8.528 -15.037 1.00 43.53 H new ATOM 0 HG23 ILE A 77 -15.002 -6.750 -14.978 1.00 43.53 H new ATOM 0 HD11 ILE A 77 -18.376 -5.663 -17.504 1.00 13.21 H new ATOM 0 HD12 ILE A 77 -18.210 -7.425 -17.700 1.00 13.21 H new ATOM 0 HD13 ILE A 77 -18.069 -6.692 -16.084 1.00 13.21 H new ATOM 1236 N ASP A 78 -12.611 -8.547 -15.858 1.00 64.54 N ATOM 1237 CA ASP A 78 -11.811 -9.617 -15.275 1.00 42.25 C ATOM 1238 C ASP A 78 -12.702 -10.659 -14.605 1.00 52.54 C ATOM 1239 O ASP A 78 -13.232 -10.428 -13.518 1.00 33.41 O ATOM 1240 CB ASP A 78 -10.820 -9.046 -14.260 1.00 3.42 C ATOM 1241 CG ASP A 78 -9.589 -8.457 -14.919 1.00 44.34 C ATOM 1242 OD1 ASP A 78 -8.906 -9.191 -15.665 1.00 71.25 O ATOM 1243 OD2 ASP A 78 -9.308 -7.262 -14.692 1.00 72.10 O ATOM 0 H ASP A 78 -12.561 -7.661 -15.355 1.00 64.54 H new ATOM 0 HA ASP A 78 -11.257 -10.102 -16.078 1.00 42.25 H new ATOM 0 HB2 ASP A 78 -11.315 -8.276 -13.668 1.00 3.42 H new ATOM 0 HB3 ASP A 78 -10.517 -9.834 -13.570 1.00 3.42 H new ATOM 1248 N TYR A 79 -12.863 -11.801 -15.261 1.00 24.33 N ATOM 1249 CA TYR A 79 -13.692 -12.877 -14.730 1.00 54.32 C ATOM 1250 C TYR A 79 -12.835 -13.957 -14.080 1.00 25.11 C ATOM 1251 O TYR A 79 -11.859 -14.430 -14.666 1.00 41.53 O ATOM 1252 CB TYR A 79 -14.545 -13.488 -15.843 1.00 62.24 C ATOM 1253 CG TYR A 79 -13.733 -14.060 -16.983 1.00 22.24 C ATOM 1254 CD1 TYR A 79 -13.371 -13.273 -18.069 1.00 54.11 C ATOM 1255 CD2 TYR A 79 -13.328 -15.390 -16.975 1.00 53.11 C ATOM 1256 CE1 TYR A 79 -12.630 -13.792 -19.112 1.00 65.12 C ATOM 1257 CE2 TYR A 79 -12.586 -15.916 -18.013 1.00 24.35 C ATOM 1258 CZ TYR A 79 -12.239 -15.114 -19.080 1.00 73.34 C ATOM 1259 OH TYR A 79 -11.500 -15.636 -20.118 1.00 12.53 O ATOM 0 H TYR A 79 -12.431 -12.007 -16.162 1.00 24.33 H new ATOM 0 HA TYR A 79 -14.347 -12.454 -13.969 1.00 54.32 H new ATOM 0 HB2 TYR A 79 -15.168 -14.276 -15.421 1.00 62.24 H new ATOM 0 HB3 TYR A 79 -15.218 -12.725 -16.234 1.00 62.24 H new ATOM 0 HD1 TYR A 79 -13.675 -12.237 -18.098 1.00 54.11 H new ATOM 0 HD2 TYR A 79 -13.599 -16.022 -16.142 1.00 53.11 H new ATOM 0 HE1 TYR A 79 -12.358 -13.166 -19.949 1.00 65.12 H new ATOM 0 HE2 TYR A 79 -12.278 -16.951 -17.990 1.00 24.35 H new ATOM 0 HH TYR A 79 -11.306 -16.580 -19.939 1.00 12.53 H new ATOM 1269 N THR A 80 -13.204 -14.346 -12.864 1.00 73.40 N ATOM 1270 CA THR A 80 -12.470 -15.370 -12.132 1.00 63.12 C ATOM 1271 C THR A 80 -13.316 -16.623 -11.940 1.00 34.52 C ATOM 1272 O THR A 80 -14.426 -16.560 -11.410 1.00 41.33 O ATOM 1273 CB THR A 80 -12.013 -14.858 -10.754 1.00 14.50 C ATOM 1274 OG1 THR A 80 -11.349 -15.904 -10.037 1.00 11.51 O ATOM 1275 CG2 THR A 80 -13.199 -14.354 -9.943 1.00 31.33 C ATOM 0 H THR A 80 -14.008 -13.966 -12.365 1.00 73.40 H new ATOM 0 HA THR A 80 -11.592 -15.616 -12.730 1.00 63.12 H new ATOM 0 HB THR A 80 -11.321 -14.030 -10.910 1.00 14.50 H new ATOM 0 HG1 THR A 80 -11.060 -15.569 -9.162 1.00 11.51 H new ATOM 0 HG21 THR A 80 -12.852 -13.997 -8.973 1.00 31.33 H new ATOM 0 HG22 THR A 80 -13.684 -13.537 -10.477 1.00 31.33 H new ATOM 0 HG23 THR A 80 -13.911 -15.166 -9.797 1.00 31.33 H new ATOM 1283 N VAL A 81 -12.786 -17.762 -12.374 1.00 60.31 N ATOM 1284 CA VAL A 81 -13.494 -19.031 -12.249 1.00 5.40 C ATOM 1285 C VAL A 81 -13.209 -19.688 -10.903 1.00 5.43 C ATOM 1286 O VAL A 81 -12.076 -20.080 -10.618 1.00 3.51 O ATOM 1287 CB VAL A 81 -13.103 -20.006 -13.376 1.00 50.42 C ATOM 1288 CG1 VAL A 81 -13.936 -21.276 -13.297 1.00 12.13 C ATOM 1289 CG2 VAL A 81 -13.260 -19.338 -14.734 1.00 2.13 C ATOM 0 H VAL A 81 -11.869 -17.832 -12.815 1.00 60.31 H new ATOM 0 HA VAL A 81 -14.558 -18.808 -12.324 1.00 5.40 H new ATOM 0 HB VAL A 81 -12.056 -20.280 -13.250 1.00 50.42 H new ATOM 0 HG11 VAL A 81 -13.646 -21.952 -14.101 1.00 12.13 H new ATOM 0 HG12 VAL A 81 -13.768 -21.762 -12.336 1.00 12.13 H new ATOM 0 HG13 VAL A 81 -14.992 -21.025 -13.398 1.00 12.13 H new ATOM 0 HG21 VAL A 81 -12.980 -20.040 -15.519 1.00 2.13 H new ATOM 0 HG22 VAL A 81 -14.298 -19.034 -14.872 1.00 2.13 H new ATOM 0 HG23 VAL A 81 -12.615 -18.461 -14.785 1.00 2.13 H new ATOM 1299 N LEU A 82 -14.243 -19.807 -10.078 1.00 60.42 N ATOM 1300 CA LEU A 82 -14.105 -20.418 -8.760 1.00 71.25 C ATOM 1301 C LEU A 82 -14.589 -21.864 -8.778 1.00 0.13 C ATOM 1302 O LEU A 82 -15.760 -22.133 -9.043 1.00 11.44 O ATOM 1303 CB LEU A 82 -14.892 -19.617 -7.721 1.00 3.34 C ATOM 1304 CG LEU A 82 -14.267 -19.531 -6.328 1.00 33.14 C ATOM 1305 CD1 LEU A 82 -14.838 -18.350 -5.558 1.00 73.35 C ATOM 1306 CD2 LEU A 82 -14.491 -20.827 -5.562 1.00 23.40 C ATOM 0 H LEU A 82 -15.187 -19.488 -10.298 1.00 60.42 H new ATOM 0 HA LEU A 82 -13.049 -20.411 -8.491 1.00 71.25 H new ATOM 0 HB2 LEU A 82 -15.029 -18.604 -8.099 1.00 3.34 H new ATOM 0 HB3 LEU A 82 -15.884 -20.058 -7.626 1.00 3.34 H new ATOM 0 HG LEU A 82 -13.194 -19.380 -6.442 1.00 33.14 H new ATOM 0 HD11 LEU A 82 -14.381 -18.305 -4.569 1.00 73.35 H new ATOM 0 HD12 LEU A 82 -14.626 -17.427 -6.098 1.00 73.35 H new ATOM 0 HD13 LEU A 82 -15.916 -18.470 -5.454 1.00 73.35 H new ATOM 0 HD21 LEU A 82 -14.040 -20.748 -4.573 1.00 23.40 H new ATOM 0 HD22 LEU A 82 -15.561 -21.009 -5.459 1.00 23.40 H new ATOM 0 HD23 LEU A 82 -14.033 -21.654 -6.105 1.00 23.40 H new