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= 0.0478 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= -0.035 K(o=-0.035,f=-2.1!) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00475) 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 -15.421 -6.286 -12.053 1.00 60.22 N ATOM 125 CA ARG A 9 -14.939 -7.660 -11.977 1.00 71.21 C ATOM 126 C ARG A 9 -16.105 -8.640 -11.868 1.00 51.22 C ATOM 127 O ARG A 9 -17.098 -8.366 -11.194 1.00 24.44 O ATOM 128 CB ARG A 9 -14.004 -7.829 -10.779 1.00 5.13 C ATOM 129 CG ARG A 9 -12.767 -6.948 -10.843 1.00 64.22 C ATOM 130 CD ARG A 9 -12.939 -5.684 -10.014 1.00 61.32 C ATOM 131 NE ARG A 9 -11.658 -5.143 -9.570 1.00 15.41 N ATOM 132 CZ ARG A 9 -11.536 -4.009 -8.888 1.00 33.13 C ATOM 133 NH1 ARG A 9 -12.613 -3.301 -8.574 1.00 72.34 N ATOM 134 NH2 ARG A 9 -10.336 -3.581 -8.517 1.00 34.50 N ATOM 0 HA ARG A 9 -14.389 -7.877 -12.892 1.00 71.21 H new ATOM 0 HB2 ARG A 9 -14.554 -7.603 -9.865 1.00 5.13 H new ATOM 0 HB3 ARG A 9 -13.694 -8.872 -10.715 1.00 5.13 H new ATOM 0 HG2 ARG A 9 -11.903 -7.506 -10.483 1.00 64.22 H new ATOM 0 HG3 ARG A 9 -12.563 -6.680 -11.880 1.00 64.22 H new ATOM 0 HD2 ARG A 9 -13.465 -4.933 -10.603 1.00 61.32 H new ATOM 0 HD3 ARG A 9 -13.561 -5.902 -9.146 1.00 61.32 H new ATOM 0 HE ARG A 9 -10.810 -5.664 -9.795 1.00 15.41 H new ATOM 0 HH11 ARG A 9 -13.538 -3.627 -8.856 1.00 72.34 H new ATOM 0 HH12 ARG A 9 -12.517 -2.431 -8.050 1.00 72.34 H new ATOM 0 HH21 ARG A 9 -9.505 -4.123 -8.755 1.00 34.50 H new ATOM 0 HH22 ARG A 9 -10.244 -2.710 -7.994 1.00 34.50 H new ATOM 148 N ALA A 10 -15.976 -9.781 -12.537 1.00 11.44 N ATOM 149 CA ALA A 10 -17.017 -10.801 -12.513 1.00 54.44 C ATOM 150 C ALA A 10 -16.578 -12.016 -11.702 1.00 51.54 C ATOM 151 O ALA A 10 -15.534 -12.610 -11.972 1.00 1.20 O ATOM 152 CB ALA A 10 -17.381 -11.215 -13.931 1.00 33.10 C ATOM 0 H ALA A 10 -15.162 -10.022 -13.102 1.00 11.44 H new ATOM 0 HA ALA A 10 -17.897 -10.375 -12.032 1.00 54.44 H new ATOM 0 HB1 ALA A 10 -18.159 -11.977 -13.899 1.00 33.10 H new ATOM 0 HB2 ALA A 10 -17.745 -10.347 -14.481 1.00 33.10 H new ATOM 0 HB3 ALA A 10 -16.500 -11.617 -14.430 1.00 33.10 H new ATOM 158 N ARG A 11 -17.381 -12.377 -10.707 1.00 31.13 N ATOM 159 CA ARG A 11 -17.073 -13.520 -9.855 1.00 50.32 C ATOM 160 C ARG A 11 -17.863 -14.751 -10.290 1.00 20.11 C ATOM 161 O ARG A 11 -19.055 -14.868 -10.006 1.00 44.44 O ATOM 162 CB ARG A 11 -17.384 -13.192 -8.394 1.00 32.43 C ATOM 163 CG ARG A 11 -16.451 -12.156 -7.790 1.00 15.42 C ATOM 164 CD ARG A 11 -15.244 -12.807 -7.134 1.00 25.11 C ATOM 165 NE ARG A 11 -14.531 -11.882 -6.258 1.00 22.01 N ATOM 166 CZ ARG A 11 -13.398 -12.187 -5.632 1.00 74.13 C ATOM 167 NH1 ARG A 11 -12.854 -13.386 -5.786 1.00 60.13 N ATOM 168 NH2 ARG A 11 -12.809 -11.291 -4.851 1.00 34.42 N ATOM 0 H ARG A 11 -18.249 -11.896 -10.471 1.00 31.13 H new ATOM 0 HA ARG A 11 -16.010 -13.738 -9.953 1.00 50.32 H new ATOM 0 HB2 ARG A 11 -18.410 -12.830 -8.322 1.00 32.43 H new ATOM 0 HB3 ARG A 11 -17.327 -14.107 -7.805 1.00 32.43 H new ATOM 0 HG2 ARG A 11 -16.117 -11.469 -8.567 1.00 15.42 H new ATOM 0 HG3 ARG A 11 -16.992 -11.564 -7.052 1.00 15.42 H new ATOM 0 HD2 ARG A 11 -15.568 -13.674 -6.558 1.00 25.11 H new ATOM 0 HD3 ARG A 11 -14.565 -13.172 -7.905 1.00 25.11 H new ATOM 0 HE ARG A 11 -14.923 -10.951 -6.118 1.00 22.01 H new ATOM 0 HH11 ARG A 11 -13.304 -14.077 -6.386 1.00 60.13 H new ATOM 0 HH12 ARG A 11 -11.985 -13.617 -5.305 1.00 60.13 H new ATOM 0 HH21 ARG A 11 -13.225 -10.368 -4.730 1.00 34.42 H new ATOM 0 HH22 ARG A 11 -11.940 -11.525 -4.371 1.00 34.42 H new ATOM 182 N ILE A 12 -17.190 -15.666 -10.980 1.00 43.03 N ATOM 183 CA ILE A 12 -17.829 -16.887 -11.454 1.00 64.34 C ATOM 184 C ILE A 12 -17.593 -18.042 -10.486 1.00 54.33 C ATOM 185 O ILE A 12 -16.497 -18.203 -9.950 1.00 45.13 O ATOM 186 CB ILE A 12 -17.311 -17.288 -12.848 1.00 75.41 C ATOM 187 CG1 ILE A 12 -17.565 -16.164 -13.854 1.00 52.44 C ATOM 188 CG2 ILE A 12 -17.975 -18.578 -13.308 1.00 44.11 C ATOM 189 CD1 ILE A 12 -16.723 -16.271 -15.105 1.00 44.45 C ATOM 0 H ILE A 12 -16.203 -15.585 -11.223 1.00 43.03 H new ATOM 0 HA ILE A 12 -18.897 -16.680 -11.517 1.00 64.34 H new ATOM 0 HB ILE A 12 -16.236 -17.457 -12.785 1.00 75.41 H new ATOM 0 HG12 ILE A 12 -18.619 -16.169 -14.133 1.00 52.44 H new ATOM 0 HG13 ILE A 12 -17.367 -15.206 -13.374 1.00 52.44 H new ATOM 0 HG21 ILE A 12 -17.599 -18.849 -14.295 1.00 44.11 H new ATOM 0 HG22 ILE A 12 -17.748 -19.376 -12.601 1.00 44.11 H new ATOM 0 HG23 ILE A 12 -19.054 -18.434 -13.358 1.00 44.11 H new ATOM 0 HD11 ILE A 12 -16.956 -15.441 -15.772 1.00 44.45 H new ATOM 0 HD12 ILE A 12 -15.667 -16.236 -14.837 1.00 44.45 H new ATOM 0 HD13 ILE A 12 -16.938 -17.213 -15.609 1.00 44.45 H new ATOM 201 N TYR A 13 -18.631 -18.842 -10.266 1.00 31.12 N ATOM 202 CA TYR A 13 -18.538 -19.982 -9.362 1.00 10.51 C ATOM 203 C TYR A 13 -19.285 -21.187 -9.925 1.00 1.23 C ATOM 204 O TYR A 13 -20.399 -21.060 -10.435 1.00 45.52 O ATOM 205 CB TYR A 13 -19.102 -19.616 -7.987 1.00 60.03 C ATOM 206 CG TYR A 13 -19.224 -20.795 -7.049 1.00 2.20 C ATOM 207 CD1 TYR A 13 -18.102 -21.513 -6.655 1.00 34.41 C ATOM 208 CD2 TYR A 13 -20.462 -21.190 -6.555 1.00 64.42 C ATOM 209 CE1 TYR A 13 -18.209 -22.593 -5.799 1.00 50.11 C ATOM 210 CE2 TYR A 13 -20.578 -22.266 -5.698 1.00 32.04 C ATOM 211 CZ TYR A 13 -19.449 -22.965 -5.323 1.00 53.30 C ATOM 212 OH TYR A 13 -19.560 -24.037 -4.469 1.00 21.42 O ATOM 0 H TYR A 13 -19.546 -18.722 -10.701 1.00 31.12 H new ATOM 0 HA TYR A 13 -17.486 -20.246 -9.258 1.00 10.51 H new ATOM 0 HB2 TYR A 13 -18.460 -18.863 -7.529 1.00 60.03 H new ATOM 0 HB3 TYR A 13 -20.084 -19.162 -8.116 1.00 60.03 H new ATOM 0 HD1 TYR A 13 -17.129 -21.222 -7.024 1.00 34.41 H new ATOM 0 HD2 TYR A 13 -21.348 -20.646 -6.847 1.00 64.42 H new ATOM 0 HE1 TYR A 13 -17.327 -23.142 -5.505 1.00 50.11 H new ATOM 0 HE2 TYR A 13 -21.547 -22.559 -5.323 1.00 32.04 H new ATOM 0 HH TYR A 13 -20.501 -24.166 -4.226 1.00 21.42 H new ATOM 468 N TRP A 30 -24.555 -22.463 -13.430 1.00 73.53 N ATOM 469 CA TRP A 30 -23.402 -21.764 -12.876 1.00 42.30 C ATOM 470 C TRP A 30 -23.828 -20.472 -12.188 1.00 40.32 C ATOM 471 O TRP A 30 -24.952 -20.003 -12.366 1.00 32.13 O ATOM 472 CB TRP A 30 -22.387 -21.457 -13.980 1.00 33.53 C ATOM 473 CG TRP A 30 -21.499 -22.619 -14.309 1.00 23.23 C ATOM 474 CD1 TRP A 30 -21.862 -23.777 -14.936 1.00 42.31 C ATOM 475 CD2 TRP A 30 -20.100 -22.736 -14.025 1.00 11.31 C ATOM 476 NE1 TRP A 30 -20.772 -24.606 -15.060 1.00 55.12 N ATOM 477 CE2 TRP A 30 -19.680 -23.990 -14.509 1.00 22.21 C ATOM 478 CE3 TRP A 30 -19.162 -21.903 -13.410 1.00 42.11 C ATOM 479 CZ2 TRP A 30 -18.363 -24.429 -14.396 1.00 53.32 C ATOM 480 CZ3 TRP A 30 -17.855 -22.339 -13.299 1.00 13.25 C ATOM 481 CH2 TRP A 30 -17.465 -23.593 -13.790 1.00 53.13 C ATOM 0 HA TRP A 30 -22.937 -22.413 -12.134 1.00 42.30 H new ATOM 0 HB2 TRP A 30 -22.921 -21.150 -14.880 1.00 33.53 H new ATOM 0 HB3 TRP A 30 -21.770 -20.613 -13.672 1.00 33.53 H new ATOM 0 HD1 TRP A 30 -22.858 -24.007 -15.283 1.00 42.31 H new ATOM 0 HE1 TRP A 30 -20.776 -25.530 -15.492 1.00 55.12 H new ATOM 0 HE3 TRP A 30 -19.453 -20.936 -13.028 1.00 42.11 H new ATOM 0 HZ2 TRP A 30 -18.061 -25.395 -14.773 1.00 53.32 H new ATOM 0 HZ3 TRP A 30 -17.122 -21.703 -12.826 1.00 13.25 H new ATOM 0 HH2 TRP A 30 -16.436 -23.905 -13.688 1.00 53.13 H new ATOM 492 N LYS A 31 -22.923 -19.899 -11.402 1.00 22.05 N ATOM 493 CA LYS A 31 -23.204 -18.659 -10.687 1.00 64.25 C ATOM 494 C LYS A 31 -22.254 -17.550 -11.128 1.00 53.33 C ATOM 495 O LYS A 31 -21.113 -17.811 -11.509 1.00 51.14 O ATOM 496 CB LYS A 31 -23.083 -18.879 -9.178 1.00 0.42 C ATOM 497 CG LYS A 31 -23.396 -17.639 -8.357 1.00 23.45 C ATOM 498 CD LYS A 31 -23.765 -17.996 -6.926 1.00 74.43 C ATOM 499 CE LYS A 31 -23.463 -16.853 -5.970 1.00 23.24 C ATOM 500 NZ LYS A 31 -22.082 -16.942 -5.419 1.00 62.22 N ATOM 0 H LYS A 31 -21.988 -20.274 -11.244 1.00 22.05 H new ATOM 0 HA LYS A 31 -24.224 -18.355 -10.923 1.00 64.25 H new ATOM 0 HB2 LYS A 31 -23.758 -19.682 -8.881 1.00 0.42 H new ATOM 0 HB3 LYS A 31 -22.071 -19.212 -8.947 1.00 0.42 H new ATOM 0 HG2 LYS A 31 -22.532 -16.975 -8.356 1.00 23.45 H new ATOM 0 HG3 LYS A 31 -24.218 -17.093 -8.820 1.00 23.45 H new ATOM 0 HD2 LYS A 31 -24.825 -18.245 -6.874 1.00 74.43 H new ATOM 0 HD3 LYS A 31 -23.214 -18.884 -6.618 1.00 74.43 H new ATOM 0 HE2 LYS A 31 -23.586 -15.903 -6.489 1.00 23.24 H new ATOM 0 HE3 LYS A 31 -24.182 -16.864 -5.151 1.00 23.24 H new ATOM 0 HZ1 LYS A 31 -21.914 -16.145 -4.772 1.00 62.22 H new ATOM 0 HZ2 LYS A 31 -21.972 -17.837 -4.902 1.00 62.22 H new ATOM 0 HZ3 LYS A 31 -21.394 -16.905 -6.198 1.00 62.22 H new ATOM 514 N LEU A 32 -22.733 -16.312 -11.073 1.00 61.12 N ATOM 515 CA LEU A 32 -21.927 -15.162 -11.466 1.00 1.52 C ATOM 516 C LEU A 32 -22.300 -13.929 -10.648 1.00 55.00 C ATOM 517 O LEU A 32 -23.476 -13.587 -10.527 1.00 50.20 O ATOM 518 CB LEU A 32 -22.108 -14.871 -12.956 1.00 64.31 C ATOM 519 CG LEU A 32 -21.195 -13.795 -13.546 1.00 72.43 C ATOM 520 CD1 LEU A 32 -21.719 -12.408 -13.208 1.00 34.41 C ATOM 521 CD2 LEU A 32 -19.771 -13.967 -13.041 1.00 5.23 C ATOM 0 H LEU A 32 -23.675 -16.079 -10.760 1.00 61.12 H new ATOM 0 HA LEU A 32 -20.881 -15.402 -11.273 1.00 1.52 H new ATOM 0 HB2 LEU A 32 -21.949 -15.797 -13.508 1.00 64.31 H new ATOM 0 HB3 LEU A 32 -23.143 -14.573 -13.124 1.00 64.31 H new ATOM 0 HG LEU A 32 -21.189 -13.905 -14.630 1.00 72.43 H new ATOM 0 HD11 LEU A 32 -21.057 -11.655 -13.636 1.00 34.41 H new ATOM 0 HD12 LEU A 32 -22.721 -12.287 -13.620 1.00 34.41 H new ATOM 0 HD13 LEU A 32 -21.755 -12.287 -12.125 1.00 34.41 H new ATOM 0 HD21 LEU A 32 -19.136 -13.193 -13.472 1.00 5.23 H new ATOM 0 HD22 LEU A 32 -19.758 -13.884 -11.954 1.00 5.23 H new ATOM 0 HD23 LEU A 32 -19.397 -14.948 -13.335 1.00 5.23 H new ATOM 533 N GLU A 33 -21.292 -13.267 -10.089 1.00 61.35 N ATOM 534 CA GLU A 33 -21.516 -12.072 -9.285 1.00 71.22 C ATOM 535 C GLU A 33 -20.596 -10.937 -9.727 1.00 31.31 C ATOM 536 O GLU A 33 -19.395 -10.955 -9.457 1.00 32.23 O ATOM 537 CB GLU A 33 -21.290 -12.379 -7.803 1.00 12.31 C ATOM 538 CG GLU A 33 -22.573 -12.645 -7.034 1.00 1.41 C ATOM 539 CD GLU A 33 -23.080 -11.416 -6.303 1.00 71.40 C ATOM 540 OE1 GLU A 33 -23.352 -10.399 -6.973 1.00 53.41 O ATOM 541 OE2 GLU A 33 -23.205 -11.473 -5.062 1.00 11.25 O ATOM 0 H GLU A 33 -20.313 -13.538 -10.178 1.00 61.35 H new ATOM 0 HA GLU A 33 -22.549 -11.756 -9.430 1.00 71.22 H new ATOM 0 HB2 GLU A 33 -20.637 -13.248 -7.716 1.00 12.31 H new ATOM 0 HB3 GLU A 33 -20.768 -11.541 -7.342 1.00 12.31 H new ATOM 0 HG2 GLU A 33 -23.340 -12.995 -7.725 1.00 1.41 H new ATOM 0 HG3 GLU A 33 -22.402 -13.446 -6.315 1.00 1.41 H new ATOM 548 N PHE A 34 -21.169 -9.952 -10.409 1.00 45.04 N ATOM 549 CA PHE A 34 -20.401 -8.809 -10.891 1.00 5.20 C ATOM 550 C PHE A 34 -20.383 -7.689 -9.854 1.00 24.44 C ATOM 551 O PHE A 34 -21.379 -7.443 -9.175 1.00 50.20 O ATOM 552 CB PHE A 34 -20.987 -8.292 -12.206 1.00 55.34 C ATOM 553 CG PHE A 34 -22.307 -7.594 -12.041 1.00 71.22 C ATOM 554 CD1 PHE A 34 -23.481 -8.322 -11.930 1.00 42.11 C ATOM 555 CD2 PHE A 34 -22.374 -6.211 -11.996 1.00 12.22 C ATOM 556 CE1 PHE A 34 -24.697 -7.682 -11.779 1.00 11.22 C ATOM 557 CE2 PHE A 34 -23.587 -5.566 -11.844 1.00 11.51 C ATOM 558 CZ PHE A 34 -24.749 -6.303 -11.734 1.00 54.25 C ATOM 0 H PHE A 34 -22.162 -9.921 -10.641 1.00 45.04 H new ATOM 0 HA PHE A 34 -19.376 -9.138 -11.062 1.00 5.20 H new ATOM 0 HB2 PHE A 34 -20.277 -7.605 -12.666 1.00 55.34 H new ATOM 0 HB3 PHE A 34 -21.111 -9.129 -12.893 1.00 55.34 H new ATOM 0 HD1 PHE A 34 -23.446 -9.401 -11.962 1.00 42.11 H new ATOM 0 HD2 PHE A 34 -21.468 -5.630 -12.081 1.00 12.22 H new ATOM 0 HE1 PHE A 34 -25.605 -8.260 -11.696 1.00 11.22 H new ATOM 0 HE2 PHE A 34 -23.626 -4.487 -11.811 1.00 11.51 H new ATOM 0 HZ PHE A 34 -25.698 -5.801 -11.613 1.00 54.25 H new ATOM 568 N GLU A 35 -19.242 -7.017 -9.739 1.00 54.43 N ATOM 569 CA GLU A 35 -19.094 -5.925 -8.784 1.00 13.22 C ATOM 570 C GLU A 35 -20.137 -4.838 -9.034 1.00 21.15 C ATOM 571 O GLU A 35 -20.716 -4.736 -10.114 1.00 74.23 O ATOM 572 CB GLU A 35 -17.688 -5.328 -8.872 1.00 50.12 C ATOM 573 CG GLU A 35 -16.739 -5.843 -7.803 1.00 74.53 C ATOM 574 CD GLU A 35 -16.839 -7.344 -7.610 1.00 23.13 C ATOM 575 OE1 GLU A 35 -16.814 -8.074 -8.622 1.00 74.42 O ATOM 576 OE2 GLU A 35 -16.940 -7.788 -6.447 1.00 53.23 O ATOM 0 H GLU A 35 -18.408 -7.209 -10.294 1.00 54.43 H new ATOM 0 HA GLU A 35 -19.248 -6.328 -7.783 1.00 13.22 H new ATOM 0 HB2 GLU A 35 -17.270 -5.549 -9.854 1.00 50.12 H new ATOM 0 HB3 GLU A 35 -17.758 -4.243 -8.792 1.00 50.12 H new ATOM 0 HG2 GLU A 35 -15.716 -5.582 -8.074 1.00 74.53 H new ATOM 0 HG3 GLU A 35 -16.955 -5.344 -6.859 1.00 74.53 H new ATOM 946 N LEU A 60 -26.185 -13.087 -9.801 1.00 42.31 N ATOM 947 CA LEU A 60 -26.697 -13.400 -11.131 1.00 11.23 C ATOM 948 C LEU A 60 -26.391 -14.847 -11.504 1.00 60.01 C ATOM 949 O LEU A 60 -25.236 -15.273 -11.480 1.00 72.54 O ATOM 950 CB LEU A 60 -26.091 -12.454 -12.169 1.00 12.42 C ATOM 951 CG LEU A 60 -26.190 -12.905 -13.626 1.00 45.11 C ATOM 952 CD1 LEU A 60 -27.640 -13.149 -14.012 1.00 40.12 C ATOM 953 CD2 LEU A 60 -25.557 -11.873 -14.548 1.00 4.13 C ATOM 0 HA LEU A 60 -27.779 -13.268 -11.118 1.00 11.23 H new ATOM 0 HB2 LEU A 60 -26.579 -11.484 -12.076 1.00 12.42 H new ATOM 0 HB3 LEU A 60 -25.039 -12.306 -11.926 1.00 12.42 H new ATOM 0 HG LEU A 60 -25.644 -13.842 -13.734 1.00 45.11 H new ATOM 0 HD11 LEU A 60 -27.691 -13.469 -15.053 1.00 40.12 H new ATOM 0 HD12 LEU A 60 -28.061 -13.925 -13.373 1.00 40.12 H new ATOM 0 HD13 LEU A 60 -28.209 -12.228 -13.888 1.00 40.12 H new ATOM 0 HD21 LEU A 60 -25.637 -12.211 -15.581 1.00 4.13 H new ATOM 0 HD22 LEU A 60 -26.074 -10.920 -14.437 1.00 4.13 H new ATOM 0 HD23 LEU A 60 -24.506 -11.748 -14.287 1.00 4.13 H new ATOM 965 N SER A 61 -27.433 -15.596 -11.851 1.00 23.03 N ATOM 966 CA SER A 61 -27.275 -16.996 -12.229 1.00 53.32 C ATOM 967 C SER A 61 -27.147 -17.139 -13.742 1.00 4.02 C ATOM 968 O SER A 61 -27.708 -16.350 -14.502 1.00 71.14 O ATOM 969 CB SER A 61 -28.464 -17.818 -11.727 1.00 43.14 C ATOM 970 OG SER A 61 -29.669 -17.406 -12.350 1.00 70.10 O ATOM 0 H SER A 61 -28.395 -15.257 -11.878 1.00 23.03 H new ATOM 0 HA SER A 61 -26.361 -17.371 -11.767 1.00 53.32 H new ATOM 0 HB2 SER A 61 -28.290 -18.875 -11.928 1.00 43.14 H new ATOM 0 HB3 SER A 61 -28.554 -17.710 -10.646 1.00 43.14 H new ATOM 0 HG SER A 61 -30.413 -17.948 -12.013 1.00 70.10 H new ATOM 976 N PHE A 62 -26.402 -18.152 -14.173 1.00 72.22 N ATOM 977 CA PHE A 62 -26.198 -18.400 -15.596 1.00 3.44 C ATOM 978 C PHE A 62 -26.350 -19.883 -15.916 1.00 72.52 C ATOM 979 O PHE A 62 -26.176 -20.740 -15.049 1.00 35.30 O ATOM 980 CB PHE A 62 -24.812 -17.913 -16.025 1.00 50.41 C ATOM 981 CG PHE A 62 -24.806 -16.503 -16.541 1.00 40.25 C ATOM 982 CD1 PHE A 62 -25.397 -16.192 -17.755 1.00 52.30 C ATOM 983 CD2 PHE A 62 -24.208 -15.487 -15.812 1.00 62.21 C ATOM 984 CE1 PHE A 62 -25.393 -14.895 -18.233 1.00 55.41 C ATOM 985 CE2 PHE A 62 -24.201 -14.188 -16.285 1.00 1.10 C ATOM 986 CZ PHE A 62 -24.794 -13.892 -17.497 1.00 43.42 C ATOM 0 H PHE A 62 -25.930 -18.814 -13.558 1.00 72.22 H new ATOM 0 HA PHE A 62 -26.958 -17.848 -16.149 1.00 3.44 H new ATOM 0 HB2 PHE A 62 -24.132 -17.984 -15.176 1.00 50.41 H new ATOM 0 HB3 PHE A 62 -24.426 -18.576 -16.799 1.00 50.41 H new ATOM 0 HD1 PHE A 62 -25.867 -16.973 -18.335 1.00 52.30 H new ATOM 0 HD2 PHE A 62 -23.742 -15.713 -14.864 1.00 62.21 H new ATOM 0 HE1 PHE A 62 -25.858 -14.666 -19.181 1.00 55.41 H new ATOM 0 HE2 PHE A 62 -23.732 -13.405 -15.707 1.00 1.10 H new ATOM 0 HZ PHE A 62 -24.789 -12.878 -17.868 1.00 43.42 H new ATOM 996 N THR A 63 -26.676 -20.181 -17.171 1.00 13.24 N ATOM 997 CA THR A 63 -26.854 -21.560 -17.608 1.00 2.54 C ATOM 998 C THR A 63 -25.561 -22.355 -17.461 1.00 43.55 C ATOM 999 O THR A 63 -25.544 -23.427 -16.857 1.00 43.13 O ATOM 1000 CB THR A 63 -27.322 -21.629 -19.074 1.00 34.05 C ATOM 1001 OG1 THR A 63 -28.054 -20.445 -19.410 1.00 62.14 O ATOM 1002 CG2 THR A 63 -28.195 -22.852 -19.306 1.00 32.31 C ATOM 0 H THR A 63 -26.822 -19.485 -17.902 1.00 13.24 H new ATOM 0 HA THR A 63 -27.621 -21.997 -16.969 1.00 2.54 H new ATOM 0 HB THR A 63 -26.440 -21.705 -19.711 1.00 34.05 H new ATOM 0 HG1 THR A 63 -28.347 -20.495 -20.344 1.00 62.14 H new ATOM 0 HG21 THR A 63 -28.513 -22.879 -20.348 1.00 32.31 H new ATOM 0 HG22 THR A 63 -27.627 -23.753 -19.076 1.00 32.31 H new ATOM 0 HG23 THR A 63 -29.072 -22.801 -18.660 1.00 32.31 H new ATOM 1010 N THR A 64 -24.478 -21.821 -18.018 1.00 1.31 N ATOM 1011 CA THR A 64 -23.180 -22.480 -17.950 1.00 1.40 C ATOM 1012 C THR A 64 -22.053 -21.462 -17.816 1.00 71.04 C ATOM 1013 O THR A 64 -22.287 -20.255 -17.849 1.00 53.32 O ATOM 1014 CB THR A 64 -22.926 -23.350 -19.195 1.00 62.34 C ATOM 1015 OG1 THR A 64 -22.993 -22.546 -20.377 1.00 71.13 O ATOM 1016 CG2 THR A 64 -23.944 -24.478 -19.284 1.00 3.30 C ATOM 0 H THR A 64 -24.475 -20.934 -18.521 1.00 1.31 H new ATOM 0 HA THR A 64 -23.195 -23.119 -17.067 1.00 1.40 H new ATOM 0 HB THR A 64 -21.931 -23.786 -19.109 1.00 62.34 H new ATOM 0 HG1 THR A 64 -22.829 -23.107 -21.164 1.00 71.13 H new ATOM 0 HG21 THR A 64 -23.745 -25.079 -20.171 1.00 3.30 H new ATOM 0 HG22 THR A 64 -23.870 -25.106 -18.396 1.00 3.30 H new ATOM 0 HG23 THR A 64 -24.948 -24.058 -19.348 1.00 3.30 H new ATOM 1024 N ARG A 65 -20.829 -21.958 -17.668 1.00 13.20 N ATOM 1025 CA ARG A 65 -19.665 -21.092 -17.529 1.00 4.41 C ATOM 1026 C ARG A 65 -19.420 -20.302 -18.812 1.00 45.41 C ATOM 1027 O ARG A 65 -18.965 -19.159 -18.770 1.00 54.12 O ATOM 1028 CB ARG A 65 -18.425 -21.917 -17.181 1.00 61.44 C ATOM 1029 CG ARG A 65 -18.130 -23.024 -18.181 1.00 40.44 C ATOM 1030 CD ARG A 65 -17.041 -22.613 -19.160 1.00 75.32 C ATOM 1031 NE ARG A 65 -16.249 -23.755 -19.609 1.00 31.31 N ATOM 1032 CZ ARG A 65 -15.057 -23.642 -20.183 1.00 20.13 C ATOM 1033 NH1 ARG A 65 -14.521 -22.445 -20.377 1.00 53.10 N ATOM 1034 NH2 ARG A 65 -14.396 -24.729 -20.563 1.00 72.23 N ATOM 0 H ARG A 65 -20.618 -22.956 -17.641 1.00 13.20 H new ATOM 0 HA ARG A 65 -19.862 -20.388 -16.720 1.00 4.41 H new ATOM 0 HB2 ARG A 65 -17.562 -21.253 -17.121 1.00 61.44 H new ATOM 0 HB3 ARG A 65 -18.557 -22.357 -16.193 1.00 61.44 H new ATOM 0 HG2 ARG A 65 -17.822 -23.924 -17.649 1.00 40.44 H new ATOM 0 HG3 ARG A 65 -19.039 -23.273 -18.729 1.00 40.44 H new ATOM 0 HD2 ARG A 65 -17.495 -22.125 -20.023 1.00 75.32 H new ATOM 0 HD3 ARG A 65 -16.386 -21.881 -18.687 1.00 75.32 H new ATOM 0 HE ARG A 65 -16.632 -24.691 -19.474 1.00 31.31 H new ATOM 0 HH11 ARG A 65 -15.024 -21.607 -20.085 1.00 53.10 H new ATOM 0 HH12 ARG A 65 -13.605 -22.362 -20.818 1.00 53.10 H new ATOM 0 HH21 ARG A 65 -14.804 -25.652 -20.414 1.00 72.23 H new ATOM 0 HH22 ARG A 65 -13.480 -24.641 -21.004 1.00 72.23 H new ATOM 1048 N GLU A 66 -19.722 -20.921 -19.949 1.00 25.20 N ATOM 1049 CA GLU A 66 -19.533 -20.276 -21.243 1.00 3.54 C ATOM 1050 C GLU A 66 -20.155 -18.882 -21.253 1.00 1.23 C ATOM 1051 O GLU A 66 -19.519 -17.908 -21.660 1.00 35.24 O ATOM 1052 CB GLU A 66 -20.145 -21.128 -22.357 1.00 4.52 C ATOM 1053 CG GLU A 66 -19.861 -20.598 -23.753 1.00 75.21 C ATOM 1054 CD GLU A 66 -20.840 -21.125 -24.786 1.00 1.14 C ATOM 1055 OE1 GLU A 66 -22.004 -20.674 -24.785 1.00 43.43 O ATOM 1056 OE2 GLU A 66 -20.439 -21.988 -25.595 1.00 34.44 O ATOM 0 H GLU A 66 -20.098 -21.868 -20.000 1.00 25.20 H new ATOM 0 HA GLU A 66 -18.462 -20.178 -21.418 1.00 3.54 H new ATOM 0 HB2 GLU A 66 -19.761 -22.145 -22.278 1.00 4.52 H new ATOM 0 HB3 GLU A 66 -21.224 -21.183 -22.210 1.00 4.52 H new ATOM 0 HG2 GLU A 66 -19.903 -19.509 -23.740 1.00 75.21 H new ATOM 0 HG3 GLU A 66 -18.847 -20.874 -24.044 1.00 75.21 H new ATOM 1063 N LEU A 67 -21.401 -18.794 -20.801 1.00 22.12 N ATOM 1064 CA LEU A 67 -22.111 -17.520 -20.757 1.00 61.12 C ATOM 1065 C LEU A 67 -21.463 -16.571 -19.755 1.00 42.51 C ATOM 1066 O LEU A 67 -21.299 -15.381 -20.029 1.00 12.10 O ATOM 1067 CB LEU A 67 -23.578 -17.744 -20.390 1.00 33.43 C ATOM 1068 CG LEU A 67 -24.598 -17.458 -21.493 1.00 32.23 C ATOM 1069 CD1 LEU A 67 -24.652 -18.612 -22.482 1.00 72.23 C ATOM 1070 CD2 LEU A 67 -25.973 -17.200 -20.894 1.00 31.51 C ATOM 0 H LEU A 67 -21.941 -19.589 -20.460 1.00 22.12 H new ATOM 0 HA LEU A 67 -22.056 -17.067 -21.747 1.00 61.12 H new ATOM 0 HB2 LEU A 67 -23.698 -18.780 -20.072 1.00 33.43 H new ATOM 0 HB3 LEU A 67 -23.817 -17.117 -19.531 1.00 33.43 H new ATOM 0 HG LEU A 67 -24.284 -16.562 -22.029 1.00 32.23 H new ATOM 0 HD11 LEU A 67 -25.383 -18.391 -23.260 1.00 72.23 H new ATOM 0 HD12 LEU A 67 -23.670 -18.749 -22.935 1.00 72.23 H new ATOM 0 HD13 LEU A 67 -24.941 -19.525 -21.961 1.00 72.23 H new ATOM 0 HD21 LEU A 67 -26.686 -16.998 -21.693 1.00 31.51 H new ATOM 0 HD22 LEU A 67 -26.296 -18.077 -20.333 1.00 31.51 H new ATOM 0 HD23 LEU A 67 -25.923 -16.340 -20.226 1.00 31.51 H new ATOM 1082 N ALA A 68 -21.094 -17.104 -18.595 1.00 51.42 N ATOM 1083 CA ALA A 68 -20.460 -16.303 -17.554 1.00 62.44 C ATOM 1084 C ALA A 68 -19.231 -15.578 -18.092 1.00 14.24 C ATOM 1085 O ALA A 68 -19.080 -14.371 -17.903 1.00 2.10 O ATOM 1086 CB ALA A 68 -20.082 -17.182 -16.371 1.00 73.10 C ATOM 0 H ALA A 68 -21.223 -18.086 -18.352 1.00 51.42 H new ATOM 0 HA ALA A 68 -21.175 -15.551 -17.220 1.00 62.44 H new ATOM 0 HB1 ALA A 68 -19.610 -16.572 -15.601 1.00 73.10 H new ATOM 0 HB2 ALA A 68 -20.979 -17.650 -15.964 1.00 73.10 H new ATOM 0 HB3 ALA A 68 -19.387 -17.955 -16.699 1.00 73.10 H new ATOM 1092 N ILE A 69 -18.357 -16.322 -18.760 1.00 4.13 N ATOM 1093 CA ILE A 69 -17.141 -15.748 -19.324 1.00 21.00 C ATOM 1094 C ILE A 69 -17.446 -14.942 -20.582 1.00 43.00 C ATOM 1095 O ILE A 69 -16.809 -13.924 -20.849 1.00 11.30 O ATOM 1096 CB ILE A 69 -16.109 -16.839 -19.664 1.00 42.11 C ATOM 1097 CG1 ILE A 69 -15.663 -17.565 -18.392 1.00 63.13 C ATOM 1098 CG2 ILE A 69 -14.911 -16.232 -20.381 1.00 14.20 C ATOM 1099 CD1 ILE A 69 -16.116 -19.007 -18.330 1.00 42.13 C ATOM 0 H ILE A 69 -18.467 -17.323 -18.924 1.00 4.13 H new ATOM 0 HA ILE A 69 -16.722 -15.087 -18.565 1.00 21.00 H new ATOM 0 HB ILE A 69 -16.577 -17.565 -20.330 1.00 42.11 H new ATOM 0 HG12 ILE A 69 -14.576 -17.531 -18.326 1.00 63.13 H new ATOM 0 HG13 ILE A 69 -16.052 -17.033 -17.524 1.00 63.13 H new ATOM 0 HG21 ILE A 69 -14.191 -17.016 -20.614 1.00 14.20 H new ATOM 0 HG22 ILE A 69 -15.242 -15.757 -21.304 1.00 14.20 H new ATOM 0 HG23 ILE A 69 -14.441 -15.488 -19.738 1.00 14.20 H new ATOM 0 HD11 ILE A 69 -15.765 -19.459 -17.403 1.00 42.13 H new ATOM 0 HD12 ILE A 69 -17.205 -19.048 -18.364 1.00 42.13 H new ATOM 0 HD13 ILE A 69 -15.705 -19.554 -19.179 1.00 42.13 H new ATOM 1111 N ALA A 70 -18.425 -15.406 -21.351 1.00 70.05 N ATOM 1112 CA ALA A 70 -18.817 -14.726 -22.580 1.00 35.43 C ATOM 1113 C ALA A 70 -19.424 -13.359 -22.282 1.00 2.03 C ATOM 1114 O ALA A 70 -19.384 -12.456 -23.117 1.00 65.53 O ATOM 1115 CB ALA A 70 -19.801 -15.582 -23.365 1.00 42.32 C ATOM 0 H ALA A 70 -18.961 -16.249 -21.145 1.00 70.05 H new ATOM 0 HA ALA A 70 -17.922 -14.573 -23.183 1.00 35.43 H new ATOM 0 HB1 ALA A 70 -20.086 -15.063 -24.280 1.00 42.32 H new ATOM 0 HB2 ALA A 70 -19.334 -16.534 -23.618 1.00 42.32 H new ATOM 0 HB3 ALA A 70 -20.689 -15.763 -22.760 1.00 42.32 H new ATOM 1121 N TYR A 71 -19.985 -13.214 -21.086 1.00 4.03 N ATOM 1122 CA TYR A 71 -20.601 -11.957 -20.679 1.00 74.41 C ATOM 1123 C TYR A 71 -19.549 -10.967 -20.188 1.00 62.11 C ATOM 1124 O TYR A 71 -19.480 -9.833 -20.660 1.00 63.53 O ATOM 1125 CB TYR A 71 -21.636 -12.205 -19.580 1.00 63.24 C ATOM 1126 CG TYR A 71 -22.450 -10.981 -19.228 1.00 34.44 C ATOM 1127 CD1 TYR A 71 -22.902 -10.114 -20.216 1.00 24.24 C ATOM 1128 CD2 TYR A 71 -22.769 -10.691 -17.906 1.00 71.53 C ATOM 1129 CE1 TYR A 71 -23.645 -8.995 -19.898 1.00 51.42 C ATOM 1130 CE2 TYR A 71 -23.514 -9.575 -17.580 1.00 44.30 C ATOM 1131 CZ TYR A 71 -23.948 -8.729 -18.579 1.00 14.33 C ATOM 1132 OH TYR A 71 -24.690 -7.615 -18.258 1.00 61.14 O ATOM 0 H TYR A 71 -20.026 -13.951 -20.382 1.00 4.03 H new ATOM 0 HA TYR A 71 -21.099 -11.528 -21.549 1.00 74.41 H new ATOM 0 HB2 TYR A 71 -22.310 -13.000 -19.900 1.00 63.24 H new ATOM 0 HB3 TYR A 71 -21.125 -12.561 -18.685 1.00 63.24 H new ATOM 0 HD1 TYR A 71 -22.668 -10.319 -21.250 1.00 24.24 H new ATOM 0 HD2 TYR A 71 -22.428 -11.350 -17.121 1.00 71.53 H new ATOM 0 HE1 TYR A 71 -23.987 -8.331 -20.678 1.00 51.42 H new ATOM 0 HE2 TYR A 71 -23.756 -9.366 -16.548 1.00 44.30 H new ATOM 0 HH TYR A 71 -24.816 -7.574 -17.287 1.00 61.14 H new ATOM 1142 N ALA A 72 -18.731 -11.407 -19.237 1.00 43.21 N ATOM 1143 CA ALA A 72 -17.681 -10.562 -18.683 1.00 63.12 C ATOM 1144 C ALA A 72 -16.753 -10.049 -19.780 1.00 61.12 C ATOM 1145 O ALA A 72 -16.443 -8.858 -19.839 1.00 35.14 O ATOM 1146 CB ALA A 72 -16.887 -11.326 -17.634 1.00 72.12 C ATOM 0 H ALA A 72 -18.776 -12.343 -18.835 1.00 43.21 H new ATOM 0 HA ALA A 72 -18.154 -9.701 -18.210 1.00 63.12 H new ATOM 0 HB1 ALA A 72 -16.106 -10.683 -17.229 1.00 72.12 H new ATOM 0 HB2 ALA A 72 -17.553 -11.639 -16.830 1.00 72.12 H new ATOM 0 HB3 ALA A 72 -16.432 -12.205 -18.091 1.00 72.12 H new ATOM 1152 N VAL A 73 -16.312 -10.954 -20.648 1.00 72.44 N ATOM 1153 CA VAL A 73 -15.421 -10.593 -21.743 1.00 51.44 C ATOM 1154 C VAL A 73 -16.094 -9.615 -22.700 1.00 1.11 C ATOM 1155 O VAL A 73 -15.433 -8.773 -23.309 1.00 73.20 O ATOM 1156 CB VAL A 73 -14.969 -11.836 -22.532 1.00 23.33 C ATOM 1157 CG1 VAL A 73 -14.085 -11.433 -23.703 1.00 74.43 C ATOM 1158 CG2 VAL A 73 -14.244 -12.812 -21.618 1.00 23.00 C ATOM 0 H VAL A 73 -16.558 -11.943 -20.614 1.00 72.44 H new ATOM 0 HA VAL A 73 -14.548 -10.118 -21.296 1.00 51.44 H new ATOM 0 HB VAL A 73 -15.853 -12.334 -22.930 1.00 23.33 H new ATOM 0 HG11 VAL A 73 -13.775 -12.324 -24.249 1.00 74.43 H new ATOM 0 HG12 VAL A 73 -14.642 -10.775 -24.370 1.00 74.43 H new ATOM 0 HG13 VAL A 73 -13.204 -10.911 -23.331 1.00 74.43 H new ATOM 0 HG21 VAL A 73 -13.932 -13.684 -22.192 1.00 23.00 H new ATOM 0 HG22 VAL A 73 -13.367 -12.326 -21.190 1.00 23.00 H new ATOM 0 HG23 VAL A 73 -14.913 -13.125 -20.817 1.00 23.00 H new ATOM 1168 N ALA A 74 -17.411 -9.731 -22.826 1.00 42.04 N ATOM 1169 CA ALA A 74 -18.174 -8.855 -23.707 1.00 33.24 C ATOM 1170 C ALA A 74 -17.860 -7.389 -23.429 1.00 23.11 C ATOM 1171 O ALA A 74 -17.924 -6.548 -24.327 1.00 64.51 O ATOM 1172 CB ALA A 74 -19.665 -9.116 -23.549 1.00 32.21 C ATOM 0 H ALA A 74 -17.972 -10.423 -22.329 1.00 42.04 H new ATOM 0 HA ALA A 74 -17.885 -9.073 -24.735 1.00 33.24 H new ATOM 0 HB1 ALA A 74 -20.222 -8.455 -24.213 1.00 32.21 H new ATOM 0 HB2 ALA A 74 -19.882 -10.153 -23.804 1.00 32.21 H new ATOM 0 HB3 ALA A 74 -19.960 -8.927 -22.517 1.00 32.21 H new ATOM 1178 N HIS A 75 -17.521 -7.087 -22.180 1.00 2.14 N ATOM 1179 CA HIS A 75 -17.197 -5.721 -21.784 1.00 1.12 C ATOM 1180 C HIS A 75 -15.782 -5.641 -21.219 1.00 5.14 C ATOM 1181 O HIS A 75 -15.465 -4.746 -20.434 1.00 54.20 O ATOM 1182 CB HIS A 75 -18.201 -5.215 -20.750 1.00 54.21 C ATOM 1183 CG HIS A 75 -19.436 -4.619 -21.355 1.00 20.05 C ATOM 1184 ND1 HIS A 75 -19.835 -4.869 -22.651 1.00 22.22 N ATOM 1185 CD2 HIS A 75 -20.363 -3.782 -20.832 1.00 5.24 C ATOM 1186 CE1 HIS A 75 -20.952 -4.210 -22.900 1.00 2.44 C ATOM 1187 NE2 HIS A 75 -21.293 -3.543 -21.812 1.00 43.34 N ATOM 0 H HIS A 75 -17.463 -7.770 -21.424 1.00 2.14 H new ATOM 0 HA HIS A 75 -17.252 -5.089 -22.671 1.00 1.12 H new ATOM 0 HB2 HIS A 75 -18.488 -6.041 -20.099 1.00 54.21 H new ATOM 0 HB3 HIS A 75 -17.717 -4.467 -20.121 1.00 54.21 H new ATOM 0 HD2 HIS A 75 -20.369 -3.378 -19.830 1.00 5.24 H new ATOM 0 HE1 HIS A 75 -21.494 -4.215 -23.834 1.00 2.44 H new ATOM 0 HE2 HIS A 75 -22.115 -2.947 -21.716 1.00 43.34 H new ATOM 1195 N LYS A 76 -14.935 -6.582 -21.620 1.00 42.24 N ATOM 1196 CA LYS A 76 -13.553 -6.618 -21.155 1.00 13.14 C ATOM 1197 C LYS A 76 -13.491 -6.564 -19.632 1.00 14.35 C ATOM 1198 O LYS A 76 -12.776 -5.741 -19.060 1.00 11.21 O ATOM 1199 CB LYS A 76 -12.762 -5.452 -21.750 1.00 44.31 C ATOM 1200 CG LYS A 76 -12.315 -5.687 -23.183 1.00 32.43 C ATOM 1201 CD LYS A 76 -13.375 -5.244 -24.177 1.00 65.23 C ATOM 1202 CE LYS A 76 -13.343 -3.738 -24.391 1.00 1.02 C ATOM 1203 NZ LYS A 76 -12.231 -3.329 -25.293 1.00 54.33 N ATOM 0 H LYS A 76 -15.181 -7.331 -22.267 1.00 42.24 H new ATOM 0 HA LYS A 76 -13.108 -7.556 -21.487 1.00 13.14 H new ATOM 0 HB2 LYS A 76 -13.375 -4.552 -21.713 1.00 44.31 H new ATOM 0 HB3 LYS A 76 -11.885 -5.266 -21.131 1.00 44.31 H new ATOM 0 HG2 LYS A 76 -11.389 -5.143 -23.370 1.00 32.43 H new ATOM 0 HG3 LYS A 76 -12.098 -6.745 -23.329 1.00 32.43 H new ATOM 0 HD2 LYS A 76 -13.218 -5.751 -25.129 1.00 65.23 H new ATOM 0 HD3 LYS A 76 -14.360 -5.541 -23.817 1.00 65.23 H new ATOM 0 HE2 LYS A 76 -14.293 -3.411 -24.814 1.00 1.02 H new ATOM 0 HE3 LYS A 76 -13.233 -3.237 -23.429 1.00 1.02 H new ATOM 0 HZ1 LYS A 76 -12.274 -2.302 -25.454 1.00 54.33 H new ATOM 0 HZ2 LYS A 76 -11.320 -3.572 -24.854 1.00 54.33 H new ATOM 0 HZ3 LYS A 76 -12.321 -3.826 -26.202 1.00 54.33 H new ATOM 1217 N ILE A 77 -14.242 -7.446 -18.981 1.00 74.43 N ATOM 1218 CA ILE A 77 -14.270 -7.499 -17.525 1.00 41.02 C ATOM 1219 C ILE A 77 -13.462 -8.682 -17.004 1.00 11.24 C ATOM 1220 O ILE A 77 -13.522 -9.780 -17.556 1.00 33.41 O ATOM 1221 CB ILE A 77 -15.711 -7.601 -16.992 1.00 21.20 C ATOM 1222 CG1 ILE A 77 -16.550 -6.426 -17.499 1.00 33.43 C ATOM 1223 CG2 ILE A 77 -15.712 -7.643 -15.471 1.00 73.45 C ATOM 1224 CD1 ILE A 77 -18.034 -6.598 -17.264 1.00 60.22 C ATOM 0 H ILE A 77 -14.839 -8.134 -19.439 1.00 74.43 H new ATOM 0 HA ILE A 77 -13.825 -6.571 -17.167 1.00 41.02 H new ATOM 0 HB ILE A 77 -16.155 -8.526 -17.361 1.00 21.20 H new ATOM 0 HG12 ILE A 77 -16.216 -5.512 -17.007 1.00 33.43 H new ATOM 0 HG13 ILE A 77 -16.372 -6.297 -18.567 1.00 33.43 H new ATOM 0 HG21 ILE A 77 -16.738 -7.715 -15.110 1.00 73.45 H new ATOM 0 HG22 ILE A 77 -15.146 -8.510 -15.131 1.00 73.45 H new ATOM 0 HG23 ILE A 77 -15.253 -6.734 -15.082 1.00 73.45 H new ATOM 0 HD11 ILE A 77 -18.566 -5.728 -17.648 1.00 60.22 H new ATOM 0 HD12 ILE A 77 -18.383 -7.493 -17.779 1.00 60.22 H new ATOM 0 HD13 ILE A 77 -18.224 -6.697 -16.195 1.00 60.22 H new ATOM 1236 N ASP A 78 -12.708 -8.450 -15.934 1.00 25.53 N ATOM 1237 CA ASP A 78 -11.889 -9.499 -15.335 1.00 41.42 C ATOM 1238 C ASP A 78 -12.760 -10.529 -14.624 1.00 71.01 C ATOM 1239 O ASP A 78 -13.288 -10.270 -13.541 1.00 50.14 O ATOM 1240 CB ASP A 78 -10.888 -8.892 -14.350 1.00 22.13 C ATOM 1241 CG ASP A 78 -9.637 -8.380 -15.036 1.00 60.12 C ATOM 1242 OD1 ASP A 78 -9.216 -8.998 -16.036 1.00 3.11 O ATOM 1243 OD2 ASP A 78 -9.080 -7.362 -14.574 1.00 31.44 O ATOM 0 H ASP A 78 -12.647 -7.547 -15.464 1.00 25.53 H new ATOM 0 HA ASP A 78 -11.343 -10.001 -16.134 1.00 41.42 H new ATOM 0 HB2 ASP A 78 -11.364 -8.073 -13.811 1.00 22.13 H new ATOM 0 HB3 ASP A 78 -10.611 -9.642 -13.609 1.00 22.13 H new ATOM 1248 N TYR A 79 -12.908 -11.697 -15.239 1.00 70.12 N ATOM 1249 CA TYR A 79 -13.719 -12.765 -14.667 1.00 64.23 C ATOM 1250 C TYR A 79 -12.841 -13.806 -13.979 1.00 71.12 C ATOM 1251 O TYR A 79 -11.763 -14.148 -14.467 1.00 14.21 O ATOM 1252 CB TYR A 79 -14.562 -13.432 -15.756 1.00 35.13 C ATOM 1253 CG TYR A 79 -13.741 -14.140 -16.809 1.00 32.53 C ATOM 1254 CD1 TYR A 79 -13.260 -15.426 -16.594 1.00 32.40 C ATOM 1255 CD2 TYR A 79 -13.446 -13.524 -18.018 1.00 4.22 C ATOM 1256 CE1 TYR A 79 -12.509 -16.078 -17.553 1.00 45.25 C ATOM 1257 CE2 TYR A 79 -12.697 -14.167 -18.984 1.00 21.44 C ATOM 1258 CZ TYR A 79 -12.230 -15.443 -18.747 1.00 32.45 C ATOM 1259 OH TYR A 79 -11.482 -16.088 -19.706 1.00 1.14 O ATOM 0 H TYR A 79 -12.477 -11.928 -16.134 1.00 70.12 H new ATOM 0 HA TYR A 79 -14.382 -12.325 -13.922 1.00 64.23 H new ATOM 0 HB2 TYR A 79 -15.238 -14.150 -15.292 1.00 35.13 H new ATOM 0 HB3 TYR A 79 -15.182 -12.676 -16.238 1.00 35.13 H new ATOM 0 HD1 TYR A 79 -13.477 -15.924 -15.661 1.00 32.40 H new ATOM 0 HD2 TYR A 79 -13.809 -12.524 -18.206 1.00 4.22 H new ATOM 0 HE1 TYR A 79 -12.143 -17.077 -17.370 1.00 45.25 H new ATOM 0 HE2 TYR A 79 -12.478 -13.674 -19.919 1.00 21.44 H new ATOM 0 HH TYR A 79 -11.377 -15.505 -20.486 1.00 1.14 H new ATOM 1269 N THR A 80 -13.311 -14.307 -12.841 1.00 35.23 N ATOM 1270 CA THR A 80 -12.571 -15.308 -12.083 1.00 51.23 C ATOM 1271 C THR A 80 -13.413 -16.558 -11.854 1.00 71.11 C ATOM 1272 O THR A 80 -14.504 -16.488 -11.288 1.00 34.41 O ATOM 1273 CB THR A 80 -12.111 -14.756 -10.721 1.00 1.24 C ATOM 1274 OG1 THR A 80 -11.446 -15.781 -9.975 1.00 43.30 O ATOM 1275 CG2 THR A 80 -13.295 -14.229 -9.923 1.00 31.04 C ATOM 0 H THR A 80 -14.201 -14.036 -12.424 1.00 35.23 H new ATOM 0 HA THR A 80 -11.694 -15.568 -12.676 1.00 51.23 H new ATOM 0 HB THR A 80 -11.419 -13.933 -10.903 1.00 1.24 H new ATOM 0 HG1 THR A 80 -11.155 -15.421 -9.111 1.00 43.30 H new ATOM 0 HG21 THR A 80 -12.946 -13.844 -8.965 1.00 31.04 H new ATOM 0 HG22 THR A 80 -13.782 -13.428 -10.480 1.00 31.04 H new ATOM 0 HG23 THR A 80 -14.007 -15.037 -9.752 1.00 31.04 H new ATOM 1283 N VAL A 81 -12.900 -17.701 -12.296 1.00 1.11 N ATOM 1284 CA VAL A 81 -13.605 -18.968 -12.137 1.00 4.51 C ATOM 1285 C VAL A 81 -13.286 -19.609 -10.791 1.00 63.31 C ATOM 1286 O VAL A 81 -12.122 -19.843 -10.463 1.00 74.20 O ATOM 1287 CB VAL A 81 -13.243 -19.956 -13.263 1.00 11.14 C ATOM 1288 CG1 VAL A 81 -13.780 -19.464 -14.598 1.00 60.02 C ATOM 1289 CG2 VAL A 81 -11.737 -20.162 -13.326 1.00 74.43 C ATOM 0 H VAL A 81 -11.999 -17.776 -12.767 1.00 1.11 H new ATOM 0 HA VAL A 81 -14.671 -18.746 -12.187 1.00 4.51 H new ATOM 0 HB VAL A 81 -13.709 -20.917 -13.044 1.00 11.14 H new ATOM 0 HG11 VAL A 81 -13.515 -20.174 -15.381 1.00 60.02 H new ATOM 0 HG12 VAL A 81 -14.865 -19.373 -14.543 1.00 60.02 H new ATOM 0 HG13 VAL A 81 -13.346 -18.491 -14.829 1.00 60.02 H new ATOM 0 HG21 VAL A 81 -11.499 -20.862 -14.126 1.00 74.43 H new ATOM 0 HG22 VAL A 81 -11.247 -19.208 -13.521 1.00 74.43 H new ATOM 0 HG23 VAL A 81 -11.385 -20.563 -12.376 1.00 74.43 H new ATOM 1299 N LEU A 82 -14.327 -19.891 -10.016 1.00 10.33 N ATOM 1300 CA LEU A 82 -14.159 -20.506 -8.703 1.00 44.23 C ATOM 1301 C LEU A 82 -14.649 -21.950 -8.713 1.00 13.22 C ATOM 1302 O LEU A 82 -15.816 -22.216 -8.999 1.00 72.21 O ATOM 1303 CB LEU A 82 -14.915 -19.705 -7.642 1.00 62.34 C ATOM 1304 CG LEU A 82 -14.190 -18.480 -7.083 1.00 14.40 C ATOM 1305 CD1 LEU A 82 -12.875 -18.886 -6.437 1.00 31.14 C ATOM 1306 CD2 LEU A 82 -13.952 -17.453 -8.182 1.00 32.23 C ATOM 0 H LEU A 82 -15.296 -19.704 -10.273 1.00 10.33 H new ATOM 0 HA LEU A 82 -13.096 -20.504 -8.461 1.00 44.23 H new ATOM 0 HB2 LEU A 82 -15.863 -19.378 -8.069 1.00 62.34 H new ATOM 0 HB3 LEU A 82 -15.152 -20.372 -6.813 1.00 62.34 H new ATOM 0 HG LEU A 82 -14.821 -18.026 -6.319 1.00 14.40 H new ATOM 0 HD11 LEU A 82 -12.374 -18.001 -6.045 1.00 31.14 H new ATOM 0 HD12 LEU A 82 -13.070 -19.583 -5.622 1.00 31.14 H new ATOM 0 HD13 LEU A 82 -12.237 -19.365 -7.180 1.00 31.14 H new ATOM 0 HD21 LEU A 82 -13.435 -16.588 -7.766 1.00 32.23 H new ATOM 0 HD22 LEU A 82 -13.342 -17.897 -8.969 1.00 32.23 H new ATOM 0 HD23 LEU A 82 -14.909 -17.138 -8.599 1.00 32.23 H new