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= -0.363 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0135 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= -0.233 X(o=-0.23,f=-0.26) 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 -15.663 -6.240 -11.891 1.00 62.25 N ATOM 125 CA ARG A 9 -15.109 -7.584 -11.999 1.00 32.20 C ATOM 126 C ARG A 9 -16.214 -8.634 -11.939 1.00 32.31 C ATOM 127 O ARG A 9 -17.243 -8.430 -11.294 1.00 40.14 O ATOM 128 CB ARG A 9 -14.094 -7.832 -10.881 1.00 63.45 C ATOM 129 CG ARG A 9 -12.698 -7.324 -11.203 1.00 33.21 C ATOM 130 CD ARG A 9 -12.519 -5.877 -10.772 1.00 52.51 C ATOM 131 NE ARG A 9 -11.265 -5.310 -11.264 1.00 32.05 N ATOM 132 CZ ARG A 9 -10.074 -5.617 -10.762 1.00 11.23 C ATOM 133 NH1 ARG A 9 -9.975 -6.479 -9.759 1.00 71.42 N ATOM 134 NH2 ARG A 9 -8.979 -5.060 -11.262 1.00 42.22 N ATOM 0 HA ARG A 9 -14.606 -7.666 -12.962 1.00 32.20 H new ATOM 0 HB2 ARG A 9 -14.446 -7.350 -9.969 1.00 63.45 H new ATOM 0 HB3 ARG A 9 -14.044 -8.902 -10.677 1.00 63.45 H new ATOM 0 HG2 ARG A 9 -11.958 -7.948 -10.702 1.00 33.21 H new ATOM 0 HG3 ARG A 9 -12.516 -7.411 -12.274 1.00 33.21 H new ATOM 0 HD2 ARG A 9 -13.355 -5.283 -11.141 1.00 52.51 H new ATOM 0 HD3 ARG A 9 -12.541 -5.817 -9.684 1.00 52.51 H new ATOM 0 HE ARG A 9 -11.307 -4.643 -12.034 1.00 32.05 H new ATOM 0 HH11 ARG A 9 -10.815 -6.908 -9.371 1.00 71.42 H new ATOM 0 HH12 ARG A 9 -9.059 -6.713 -9.376 1.00 71.42 H new ATOM 0 HH21 ARG A 9 -9.051 -4.395 -12.032 1.00 42.22 H new ATOM 0 HH22 ARG A 9 -8.065 -5.296 -10.876 1.00 42.22 H new ATOM 148 N ALA A 10 -15.995 -9.756 -12.615 1.00 22.40 N ATOM 149 CA ALA A 10 -16.971 -10.838 -12.638 1.00 32.34 C ATOM 150 C ALA A 10 -16.522 -12.002 -11.759 1.00 55.31 C ATOM 151 O ALA A 10 -15.395 -12.481 -11.875 1.00 62.24 O ATOM 152 CB ALA A 10 -17.202 -11.312 -14.064 1.00 73.54 C ATOM 0 H ALA A 10 -15.149 -9.940 -13.155 1.00 22.40 H new ATOM 0 HA ALA A 10 -17.909 -10.454 -12.238 1.00 32.34 H new ATOM 0 HB1 ALA A 10 -17.933 -12.120 -14.065 1.00 73.54 H new ATOM 0 HB2 ALA A 10 -17.576 -10.484 -14.667 1.00 73.54 H new ATOM 0 HB3 ALA A 10 -16.263 -11.672 -14.484 1.00 73.54 H new ATOM 158 N ARG A 11 -17.411 -12.449 -10.878 1.00 32.21 N ATOM 159 CA ARG A 11 -17.106 -13.554 -9.978 1.00 2.31 C ATOM 160 C ARG A 11 -17.864 -14.814 -10.385 1.00 53.23 C ATOM 161 O ARG A 11 -19.068 -14.928 -10.151 1.00 0.14 O ATOM 162 CB ARG A 11 -17.457 -13.178 -8.537 1.00 23.40 C ATOM 163 CG ARG A 11 -16.315 -12.513 -7.786 1.00 21.44 C ATOM 164 CD ARG A 11 -16.301 -11.010 -8.010 1.00 42.22 C ATOM 165 NE ARG A 11 -15.145 -10.373 -7.383 1.00 31.21 N ATOM 166 CZ ARG A 11 -14.920 -9.065 -7.415 1.00 41.43 C ATOM 167 NH1 ARG A 11 -15.766 -8.258 -8.041 1.00 3.14 N ATOM 168 NH2 ARG A 11 -13.845 -8.561 -6.821 1.00 52.23 N ATOM 0 H ARG A 11 -18.349 -12.063 -10.769 1.00 32.21 H new ATOM 0 HA ARG A 11 -16.037 -13.757 -10.044 1.00 2.31 H new ATOM 0 HB2 ARG A 11 -18.316 -12.506 -8.544 1.00 23.40 H new ATOM 0 HB3 ARG A 11 -17.760 -14.077 -7.999 1.00 23.40 H new ATOM 0 HG2 ARG A 11 -16.408 -12.722 -6.720 1.00 21.44 H new ATOM 0 HG3 ARG A 11 -15.366 -12.939 -8.113 1.00 21.44 H new ATOM 0 HD2 ARG A 11 -16.293 -10.803 -9.080 1.00 42.22 H new ATOM 0 HD3 ARG A 11 -17.216 -10.575 -7.609 1.00 42.22 H new ATOM 0 HE ARG A 11 -14.474 -10.966 -6.894 1.00 31.21 H new ATOM 0 HH11 ARG A 11 -16.592 -8.642 -8.500 1.00 3.14 H new ATOM 0 HH12 ARG A 11 -15.590 -7.253 -8.064 1.00 3.14 H new ATOM 0 HH21 ARG A 11 -13.191 -9.179 -6.340 1.00 52.23 H new ATOM 0 HH22 ARG A 11 -13.673 -7.556 -6.846 1.00 52.23 H new ATOM 182 N ILE A 12 -17.153 -15.754 -10.998 1.00 12.31 N ATOM 183 CA ILE A 12 -17.760 -17.005 -11.438 1.00 0.24 C ATOM 184 C ILE A 12 -17.519 -18.119 -10.425 1.00 50.11 C ATOM 185 O ILE A 12 -16.376 -18.444 -10.104 1.00 4.41 O ATOM 186 CB ILE A 12 -17.212 -17.444 -12.808 1.00 22.25 C ATOM 187 CG1 ILE A 12 -17.491 -16.371 -13.861 1.00 65.14 C ATOM 188 CG2 ILE A 12 -17.827 -18.773 -13.223 1.00 11.13 C ATOM 189 CD1 ILE A 12 -16.535 -16.412 -15.034 1.00 62.41 C ATOM 0 H ILE A 12 -16.157 -15.674 -11.201 1.00 12.31 H new ATOM 0 HA ILE A 12 -18.831 -16.823 -11.526 1.00 0.24 H new ATOM 0 HB ILE A 12 -16.133 -17.574 -12.726 1.00 22.25 H new ATOM 0 HG12 ILE A 12 -18.510 -16.491 -14.229 1.00 65.14 H new ATOM 0 HG13 ILE A 12 -17.435 -15.389 -13.391 1.00 65.14 H new ATOM 0 HG21 ILE A 12 -17.430 -19.070 -14.194 1.00 11.13 H new ATOM 0 HG22 ILE A 12 -17.582 -19.534 -12.482 1.00 11.13 H new ATOM 0 HG23 ILE A 12 -18.910 -18.667 -13.291 1.00 11.13 H new ATOM 0 HD11 ILE A 12 -16.792 -15.623 -15.741 1.00 62.41 H new ATOM 0 HD12 ILE A 12 -15.516 -16.262 -14.678 1.00 62.41 H new ATOM 0 HD13 ILE A 12 -16.608 -17.381 -15.529 1.00 62.41 H new ATOM 201 N TYR A 13 -18.603 -18.701 -9.925 1.00 41.23 N ATOM 202 CA TYR A 13 -18.510 -19.778 -8.947 1.00 24.42 C ATOM 203 C TYR A 13 -19.133 -21.061 -9.490 1.00 64.42 C ATOM 204 O TYR A 13 -20.192 -21.036 -10.116 1.00 12.10 O ATOM 205 CB TYR A 13 -19.202 -19.374 -7.644 1.00 64.10 C ATOM 206 CG TYR A 13 -18.678 -18.084 -7.056 1.00 73.34 C ATOM 207 CD1 TYR A 13 -17.353 -17.967 -6.657 1.00 20.15 C ATOM 208 CD2 TYR A 13 -19.509 -16.981 -6.900 1.00 75.40 C ATOM 209 CE1 TYR A 13 -16.870 -16.790 -6.118 1.00 53.33 C ATOM 210 CE2 TYR A 13 -19.035 -15.800 -6.364 1.00 32.30 C ATOM 211 CZ TYR A 13 -17.716 -15.709 -5.974 1.00 23.11 C ATOM 212 OH TYR A 13 -17.239 -14.534 -5.438 1.00 54.22 O ATOM 0 H TYR A 13 -19.557 -18.445 -10.181 1.00 41.23 H new ATOM 0 HA TYR A 13 -17.455 -19.963 -8.747 1.00 24.42 H new ATOM 0 HB2 TYR A 13 -20.272 -19.272 -7.827 1.00 64.10 H new ATOM 0 HB3 TYR A 13 -19.078 -20.173 -6.913 1.00 64.10 H new ATOM 0 HD1 TYR A 13 -16.688 -18.811 -6.770 1.00 20.15 H new ATOM 0 HD2 TYR A 13 -20.543 -17.049 -7.203 1.00 75.40 H new ATOM 0 HE1 TYR A 13 -15.837 -16.716 -5.811 1.00 53.33 H new ATOM 0 HE2 TYR A 13 -19.694 -14.952 -6.251 1.00 32.30 H new ATOM 0 HH TYR A 13 -17.961 -13.872 -5.407 1.00 54.22 H new ATOM 468 N TRP A 30 -24.211 -22.483 -13.013 1.00 53.22 N ATOM 469 CA TRP A 30 -23.069 -21.656 -12.641 1.00 1.15 C ATOM 470 C TRP A 30 -23.528 -20.348 -12.006 1.00 3.14 C ATOM 471 O TRP A 30 -24.611 -19.846 -12.308 1.00 3.14 O ATOM 472 CB TRP A 30 -22.202 -21.365 -13.867 1.00 22.42 C ATOM 473 CG TRP A 30 -21.341 -22.523 -14.274 1.00 44.20 C ATOM 474 CD1 TRP A 30 -21.735 -23.638 -14.956 1.00 64.43 C ATOM 475 CD2 TRP A 30 -19.940 -22.679 -14.021 1.00 20.32 C ATOM 476 NE1 TRP A 30 -20.663 -24.478 -15.144 1.00 15.15 N ATOM 477 CE2 TRP A 30 -19.550 -23.912 -14.579 1.00 74.32 C ATOM 478 CE3 TRP A 30 -18.977 -21.897 -13.379 1.00 0.53 C ATOM 479 CZ2 TRP A 30 -18.241 -24.380 -14.513 1.00 15.42 C ATOM 480 CZ3 TRP A 30 -17.677 -22.362 -13.313 1.00 53.40 C ATOM 481 CH2 TRP A 30 -17.318 -23.593 -13.878 1.00 52.20 C ATOM 0 HA TRP A 30 -22.478 -22.206 -11.909 1.00 1.15 H new ATOM 0 HB2 TRP A 30 -22.846 -21.090 -14.702 1.00 22.42 H new ATOM 0 HB3 TRP A 30 -21.566 -20.505 -13.658 1.00 22.42 H new ATOM 0 HD1 TRP A 30 -22.741 -23.832 -15.298 1.00 64.43 H new ATOM 0 HE1 TRP A 30 -20.691 -25.377 -15.626 1.00 15.15 H new ATOM 0 HE3 TRP A 30 -19.243 -20.946 -12.942 1.00 0.53 H new ATOM 0 HZ2 TRP A 30 -17.963 -25.329 -14.947 1.00 15.42 H new ATOM 0 HZ3 TRP A 30 -16.925 -21.766 -12.817 1.00 53.40 H new ATOM 0 HH2 TRP A 30 -16.293 -23.927 -13.811 1.00 52.20 H new ATOM 492 N LYS A 31 -22.697 -19.799 -11.126 1.00 24.14 N ATOM 493 CA LYS A 31 -23.016 -18.548 -10.449 1.00 42.42 C ATOM 494 C LYS A 31 -22.148 -17.408 -10.973 1.00 22.54 C ATOM 495 O LYS A 31 -20.979 -17.608 -11.306 1.00 21.43 O ATOM 496 CB LYS A 31 -22.822 -18.698 -8.938 1.00 41.24 C ATOM 497 CG LYS A 31 -23.824 -17.906 -8.115 1.00 0.32 C ATOM 498 CD LYS A 31 -24.031 -18.525 -6.743 1.00 44.21 C ATOM 499 CE LYS A 31 -25.079 -19.626 -6.780 1.00 50.31 C ATOM 500 NZ LYS A 31 -25.305 -20.222 -5.434 1.00 52.31 N ATOM 0 H LYS A 31 -21.797 -20.202 -10.865 1.00 24.14 H new ATOM 0 HA LYS A 31 -24.060 -18.310 -10.654 1.00 42.42 H new ATOM 0 HB2 LYS A 31 -22.899 -19.752 -8.673 1.00 41.24 H new ATOM 0 HB3 LYS A 31 -21.814 -18.377 -8.676 1.00 41.24 H new ATOM 0 HG2 LYS A 31 -23.474 -16.880 -8.003 1.00 0.32 H new ATOM 0 HG3 LYS A 31 -24.777 -17.862 -8.643 1.00 0.32 H new ATOM 0 HD2 LYS A 31 -23.087 -18.932 -6.380 1.00 44.21 H new ATOM 0 HD3 LYS A 31 -24.338 -17.753 -6.037 1.00 44.21 H new ATOM 0 HE2 LYS A 31 -26.017 -19.222 -7.160 1.00 50.31 H new ATOM 0 HE3 LYS A 31 -24.763 -20.405 -7.474 1.00 50.31 H new ATOM 0 HZ1 LYS A 31 -26.026 -20.968 -5.501 1.00 52.31 H new ATOM 0 HZ2 LYS A 31 -24.416 -20.630 -5.081 1.00 52.31 H new ATOM 0 HZ3 LYS A 31 -25.631 -19.484 -4.778 1.00 52.31 H new ATOM 514 N LEU A 32 -22.726 -16.215 -11.043 1.00 50.42 N ATOM 515 CA LEU A 32 -22.004 -15.043 -11.525 1.00 45.53 C ATOM 516 C LEU A 32 -22.342 -13.813 -10.689 1.00 40.20 C ATOM 517 O LEU A 32 -23.512 -13.484 -10.498 1.00 51.42 O ATOM 518 CB LEU A 32 -22.338 -14.782 -12.995 1.00 54.34 C ATOM 519 CG LEU A 32 -21.375 -13.866 -13.751 1.00 22.54 C ATOM 520 CD1 LEU A 32 -21.522 -12.428 -13.278 1.00 31.42 C ATOM 521 CD2 LEU A 32 -19.940 -14.343 -13.577 1.00 14.54 C ATOM 0 H LEU A 32 -23.692 -16.033 -10.772 1.00 50.42 H new ATOM 0 HA LEU A 32 -20.936 -15.241 -11.431 1.00 45.53 H new ATOM 0 HB2 LEU A 32 -22.378 -15.740 -13.513 1.00 54.34 H new ATOM 0 HB3 LEU A 32 -23.337 -14.349 -13.048 1.00 54.34 H new ATOM 0 HG LEU A 32 -21.624 -13.904 -14.811 1.00 22.54 H new ATOM 0 HD11 LEU A 32 -20.829 -11.792 -13.828 1.00 31.42 H new ATOM 0 HD12 LEU A 32 -22.543 -12.089 -13.454 1.00 31.42 H new ATOM 0 HD13 LEU A 32 -21.300 -12.371 -12.212 1.00 31.42 H new ATOM 0 HD21 LEU A 32 -19.268 -13.680 -14.121 1.00 14.54 H new ATOM 0 HD22 LEU A 32 -19.680 -14.335 -12.519 1.00 14.54 H new ATOM 0 HD23 LEU A 32 -19.844 -15.357 -13.966 1.00 14.54 H new ATOM 533 N GLU A 33 -21.309 -13.136 -10.195 1.00 23.41 N ATOM 534 CA GLU A 33 -21.497 -11.942 -9.381 1.00 53.44 C ATOM 535 C GLU A 33 -20.608 -10.803 -9.872 1.00 53.51 C ATOM 536 O GLU A 33 -19.394 -10.818 -9.671 1.00 10.11 O ATOM 537 CB GLU A 33 -21.193 -12.246 -7.912 1.00 43.45 C ATOM 538 CG GLU A 33 -21.431 -11.065 -6.986 1.00 12.05 C ATOM 539 CD GLU A 33 -22.771 -10.397 -7.224 1.00 34.42 C ATOM 540 OE1 GLU A 33 -22.868 -9.582 -8.165 1.00 51.11 O ATOM 541 OE2 GLU A 33 -23.723 -10.689 -6.469 1.00 43.22 O ATOM 0 H GLU A 33 -20.334 -13.395 -10.345 1.00 23.41 H new ATOM 0 HA GLU A 33 -22.538 -11.631 -9.472 1.00 53.44 H new ATOM 0 HB2 GLU A 33 -21.812 -13.083 -7.587 1.00 43.45 H new ATOM 0 HB3 GLU A 33 -20.154 -12.564 -7.823 1.00 43.45 H new ATOM 0 HG2 GLU A 33 -21.377 -11.403 -5.951 1.00 12.05 H new ATOM 0 HG3 GLU A 33 -20.635 -10.333 -7.125 1.00 12.05 H new ATOM 548 N PHE A 34 -21.221 -9.816 -10.516 1.00 75.24 N ATOM 549 CA PHE A 34 -20.487 -8.669 -11.037 1.00 20.33 C ATOM 550 C PHE A 34 -20.465 -7.530 -10.022 1.00 64.21 C ATOM 551 O PHE A 34 -21.476 -7.233 -9.387 1.00 0.34 O ATOM 552 CB PHE A 34 -21.112 -8.188 -12.347 1.00 70.44 C ATOM 553 CG PHE A 34 -22.556 -7.795 -12.213 1.00 61.24 C ATOM 554 CD1 PHE A 34 -22.905 -6.515 -11.812 1.00 22.32 C ATOM 555 CD2 PHE A 34 -23.564 -8.705 -12.489 1.00 61.02 C ATOM 556 CE1 PHE A 34 -24.233 -6.152 -11.687 1.00 2.34 C ATOM 557 CE2 PHE A 34 -24.894 -8.347 -12.367 1.00 3.35 C ATOM 558 CZ PHE A 34 -25.228 -7.068 -11.966 1.00 32.21 C ATOM 0 H PHE A 34 -22.226 -9.787 -10.690 1.00 75.24 H new ATOM 0 HA PHE A 34 -19.460 -8.983 -11.227 1.00 20.33 H new ATOM 0 HB2 PHE A 34 -20.545 -7.335 -12.719 1.00 70.44 H new ATOM 0 HB3 PHE A 34 -21.026 -8.978 -13.093 1.00 70.44 H new ATOM 0 HD1 PHE A 34 -22.131 -5.794 -11.595 1.00 22.32 H new ATOM 0 HD2 PHE A 34 -23.308 -9.706 -12.803 1.00 61.02 H new ATOM 0 HE1 PHE A 34 -24.492 -5.152 -11.371 1.00 2.34 H new ATOM 0 HE2 PHE A 34 -25.670 -9.066 -12.585 1.00 3.35 H new ATOM 0 HZ PHE A 34 -26.266 -6.785 -11.871 1.00 32.21 H new ATOM 568 N GLU A 35 -19.304 -6.898 -9.876 1.00 35.21 N ATOM 569 CA GLU A 35 -19.151 -5.793 -8.937 1.00 62.10 C ATOM 570 C GLU A 35 -20.135 -4.671 -9.252 1.00 51.45 C ATOM 571 O GLU A 35 -20.336 -4.293 -10.407 1.00 2.32 O ATOM 572 CB GLU A 35 -17.718 -5.258 -8.976 1.00 55.34 C ATOM 573 CG GLU A 35 -17.470 -4.110 -8.011 1.00 34.31 C ATOM 574 CD GLU A 35 -17.027 -4.587 -6.642 1.00 14.42 C ATOM 575 OE1 GLU A 35 -16.311 -5.607 -6.570 1.00 74.34 O ATOM 576 OE2 GLU A 35 -17.396 -3.938 -5.640 1.00 14.31 O ATOM 0 H GLU A 35 -18.458 -7.132 -10.395 1.00 35.21 H new ATOM 0 HA GLU A 35 -19.364 -6.167 -7.936 1.00 62.10 H new ATOM 0 HB2 GLU A 35 -17.029 -6.071 -8.745 1.00 55.34 H new ATOM 0 HB3 GLU A 35 -17.491 -4.926 -9.989 1.00 55.34 H new ATOM 0 HG2 GLU A 35 -16.709 -3.449 -8.426 1.00 34.31 H new ATOM 0 HG3 GLU A 35 -18.382 -3.522 -7.910 1.00 34.31 H new ATOM 946 N LEU A 60 -26.338 -12.920 -10.255 1.00 11.40 N ATOM 947 CA LEU A 60 -26.784 -13.391 -11.561 1.00 41.02 C ATOM 948 C LEU A 60 -26.351 -14.834 -11.796 1.00 4.24 C ATOM 949 O LEU A 60 -25.169 -15.164 -11.690 1.00 40.33 O ATOM 950 CB LEU A 60 -26.227 -12.493 -12.667 1.00 31.44 C ATOM 951 CG LEU A 60 -26.249 -13.077 -14.080 1.00 1.15 C ATOM 952 CD1 LEU A 60 -27.670 -13.432 -14.489 1.00 63.11 C ATOM 953 CD2 LEU A 60 -25.635 -12.098 -15.071 1.00 31.52 C ATOM 0 HA LEU A 60 -27.873 -13.350 -11.582 1.00 41.02 H new ATOM 0 HB2 LEU A 60 -26.794 -11.562 -12.671 1.00 31.44 H new ATOM 0 HB3 LEU A 60 -25.197 -12.238 -12.417 1.00 31.44 H new ATOM 0 HG LEU A 60 -25.653 -13.990 -14.085 1.00 1.15 H new ATOM 0 HD11 LEU A 60 -27.666 -13.846 -15.497 1.00 63.11 H new ATOM 0 HD12 LEU A 60 -28.075 -14.169 -13.796 1.00 63.11 H new ATOM 0 HD13 LEU A 60 -28.290 -12.535 -14.468 1.00 63.11 H new ATOM 0 HD21 LEU A 60 -25.659 -12.530 -16.071 1.00 31.52 H new ATOM 0 HD22 LEU A 60 -26.204 -11.168 -15.064 1.00 31.52 H new ATOM 0 HD23 LEU A 60 -24.602 -11.894 -14.789 1.00 31.52 H new ATOM 965 N SER A 61 -27.315 -15.692 -12.116 1.00 35.22 N ATOM 966 CA SER A 61 -27.033 -17.101 -12.364 1.00 55.25 C ATOM 967 C SER A 61 -26.945 -17.381 -13.861 1.00 32.10 C ATOM 968 O SER A 61 -27.416 -16.592 -14.681 1.00 5.03 O ATOM 969 CB SER A 61 -28.116 -17.978 -11.732 1.00 65.14 C ATOM 970 OG SER A 61 -29.399 -17.397 -11.890 1.00 20.50 O ATOM 0 H SER A 61 -28.298 -15.436 -12.210 1.00 35.22 H new ATOM 0 HA SER A 61 -26.071 -17.340 -11.910 1.00 55.25 H new ATOM 0 HB2 SER A 61 -28.102 -18.966 -12.191 1.00 65.14 H new ATOM 0 HB3 SER A 61 -27.904 -18.116 -10.672 1.00 65.14 H new ATOM 0 HG SER A 61 -30.074 -17.977 -11.479 1.00 20.50 H new ATOM 976 N PHE A 62 -26.339 -18.512 -14.210 1.00 75.24 N ATOM 977 CA PHE A 62 -26.188 -18.898 -15.609 1.00 52.40 C ATOM 978 C PHE A 62 -26.293 -20.411 -15.769 1.00 45.12 C ATOM 979 O PHE A 62 -26.157 -21.161 -14.802 1.00 22.02 O ATOM 980 CB PHE A 62 -24.844 -18.408 -16.152 1.00 15.30 C ATOM 981 CG PHE A 62 -24.851 -16.958 -16.547 1.00 45.20 C ATOM 982 CD1 PHE A 62 -25.628 -16.518 -17.606 1.00 64.33 C ATOM 983 CD2 PHE A 62 -24.077 -16.036 -15.859 1.00 53.43 C ATOM 984 CE1 PHE A 62 -25.636 -15.185 -17.971 1.00 45.04 C ATOM 985 CE2 PHE A 62 -24.082 -14.702 -16.220 1.00 40.34 C ATOM 986 CZ PHE A 62 -24.861 -14.277 -17.278 1.00 42.44 C ATOM 0 H PHE A 62 -25.945 -19.177 -13.544 1.00 75.24 H new ATOM 0 HA PHE A 62 -26.993 -18.433 -16.178 1.00 52.40 H new ATOM 0 HB2 PHE A 62 -24.076 -18.567 -15.395 1.00 15.30 H new ATOM 0 HB3 PHE A 62 -24.569 -19.011 -17.017 1.00 15.30 H new ATOM 0 HD1 PHE A 62 -26.235 -17.225 -18.153 1.00 64.33 H new ATOM 0 HD2 PHE A 62 -23.464 -16.364 -15.032 1.00 53.43 H new ATOM 0 HE1 PHE A 62 -26.248 -14.854 -18.797 1.00 45.04 H new ATOM 0 HE2 PHE A 62 -23.477 -13.992 -15.675 1.00 40.34 H new ATOM 0 HZ PHE A 62 -24.864 -13.235 -17.563 1.00 42.44 H new ATOM 996 N THR A 63 -26.536 -20.855 -16.999 1.00 11.11 N ATOM 997 CA THR A 63 -26.660 -22.278 -17.287 1.00 74.15 C ATOM 998 C THR A 63 -25.292 -22.939 -17.397 1.00 41.42 C ATOM 999 O THR A 63 -25.053 -23.998 -16.817 1.00 60.42 O ATOM 1000 CB THR A 63 -27.440 -22.520 -18.593 1.00 74.11 C ATOM 1001 OG1 THR A 63 -28.303 -21.408 -18.862 1.00 33.23 O ATOM 1002 CG2 THR A 63 -28.263 -23.796 -18.504 1.00 20.22 C ATOM 0 H THR A 63 -26.651 -20.249 -17.811 1.00 11.11 H new ATOM 0 HA THR A 63 -27.208 -22.721 -16.456 1.00 74.15 H new ATOM 0 HB THR A 63 -26.721 -22.626 -19.405 1.00 74.11 H new ATOM 0 HG1 THR A 63 -28.794 -21.569 -19.695 1.00 33.23 H new ATOM 0 HG21 THR A 63 -28.805 -23.945 -19.438 1.00 20.22 H new ATOM 0 HG22 THR A 63 -27.601 -24.644 -18.329 1.00 20.22 H new ATOM 0 HG23 THR A 63 -28.974 -23.714 -17.682 1.00 20.22 H new ATOM 1010 N THR A 64 -24.392 -22.306 -18.144 1.00 64.12 N ATOM 1011 CA THR A 64 -23.046 -22.834 -18.331 1.00 14.14 C ATOM 1012 C THR A 64 -21.999 -21.739 -18.162 1.00 45.21 C ATOM 1013 O THR A 64 -22.311 -20.551 -18.243 1.00 44.33 O ATOM 1014 CB THR A 64 -22.882 -23.476 -19.721 1.00 1.25 C ATOM 1015 OG1 THR A 64 -23.604 -22.719 -20.699 1.00 61.11 O ATOM 1016 CG2 THR A 64 -23.380 -24.913 -19.715 1.00 24.42 C ATOM 0 H THR A 64 -24.571 -21.427 -18.629 1.00 64.12 H new ATOM 0 HA THR A 64 -22.897 -23.597 -17.568 1.00 14.14 H new ATOM 0 HB THR A 64 -21.822 -23.477 -19.974 1.00 1.25 H new ATOM 0 HG1 THR A 64 -23.493 -23.133 -21.580 1.00 61.11 H new ATOM 0 HG21 THR A 64 -23.254 -25.346 -20.707 1.00 24.42 H new ATOM 0 HG22 THR A 64 -22.808 -25.493 -18.991 1.00 24.42 H new ATOM 0 HG23 THR A 64 -24.435 -24.931 -19.442 1.00 24.42 H new ATOM 1024 N ARG A 65 -20.756 -22.147 -17.928 1.00 2.42 N ATOM 1025 CA ARG A 65 -19.662 -21.200 -17.747 1.00 12.00 C ATOM 1026 C ARG A 65 -19.495 -20.320 -18.983 1.00 13.11 C ATOM 1027 O ARG A 65 -19.233 -19.123 -18.873 1.00 52.32 O ATOM 1028 CB ARG A 65 -18.358 -21.944 -17.457 1.00 4.10 C ATOM 1029 CG ARG A 65 -18.086 -23.094 -18.413 1.00 74.02 C ATOM 1030 CD ARG A 65 -16.687 -23.659 -18.223 1.00 54.10 C ATOM 1031 NE ARG A 65 -16.652 -24.700 -17.200 1.00 72.31 N ATOM 1032 CZ ARG A 65 -15.529 -25.207 -16.707 1.00 25.14 C ATOM 1033 NH1 ARG A 65 -14.353 -24.772 -17.140 1.00 72.24 N ATOM 1034 NH2 ARG A 65 -15.578 -26.153 -15.777 1.00 22.40 N ATOM 0 H ARG A 65 -20.481 -23.127 -17.859 1.00 2.42 H new ATOM 0 HA ARG A 65 -19.904 -20.561 -16.897 1.00 12.00 H new ATOM 0 HB2 ARG A 65 -17.529 -21.238 -17.506 1.00 4.10 H new ATOM 0 HB3 ARG A 65 -18.389 -22.330 -16.438 1.00 4.10 H new ATOM 0 HG2 ARG A 65 -18.822 -23.882 -18.254 1.00 74.02 H new ATOM 0 HG3 ARG A 65 -18.204 -22.750 -19.440 1.00 74.02 H new ATOM 0 HD2 ARG A 65 -16.329 -24.067 -19.168 1.00 54.10 H new ATOM 0 HD3 ARG A 65 -16.006 -22.855 -17.945 1.00 54.10 H new ATOM 0 HE ARG A 65 -17.539 -25.057 -16.845 1.00 72.31 H new ATOM 0 HH11 ARG A 65 -14.310 -24.045 -17.854 1.00 72.24 H new ATOM 0 HH12 ARG A 65 -13.492 -25.164 -16.759 1.00 72.24 H new ATOM 0 HH21 ARG A 65 -16.480 -26.491 -15.440 1.00 22.40 H new ATOM 0 HH22 ARG A 65 -14.714 -26.542 -15.399 1.00 22.40 H new ATOM 1048 N GLU A 66 -19.648 -20.924 -20.157 1.00 63.13 N ATOM 1049 CA GLU A 66 -19.512 -20.195 -21.413 1.00 11.13 C ATOM 1050 C GLU A 66 -20.384 -18.943 -21.412 1.00 44.31 C ATOM 1051 O GLU A 66 -20.039 -17.932 -22.027 1.00 60.21 O ATOM 1052 CB GLU A 66 -19.891 -21.093 -22.593 1.00 72.51 C ATOM 1053 CG GLU A 66 -19.206 -20.711 -23.894 1.00 53.50 C ATOM 1054 CD GLU A 66 -19.915 -19.580 -24.615 1.00 63.23 C ATOM 1055 OE1 GLU A 66 -21.142 -19.685 -24.820 1.00 52.33 O ATOM 1056 OE2 GLU A 66 -19.242 -18.592 -24.976 1.00 2.12 O ATOM 0 H GLU A 66 -19.866 -21.915 -20.265 1.00 63.13 H new ATOM 0 HA GLU A 66 -18.470 -19.891 -21.517 1.00 11.13 H new ATOM 0 HB2 GLU A 66 -19.639 -22.125 -22.349 1.00 72.51 H new ATOM 0 HB3 GLU A 66 -20.971 -21.054 -22.736 1.00 72.51 H new ATOM 0 HG2 GLU A 66 -18.177 -20.416 -23.686 1.00 53.50 H new ATOM 0 HG3 GLU A 66 -19.162 -21.583 -24.547 1.00 53.50 H new ATOM 1063 N LEU A 67 -21.514 -19.016 -20.718 1.00 24.34 N ATOM 1064 CA LEU A 67 -22.436 -17.889 -20.637 1.00 60.31 C ATOM 1065 C LEU A 67 -21.896 -16.809 -19.705 1.00 0.21 C ATOM 1066 O LEU A 67 -22.045 -15.617 -19.968 1.00 1.33 O ATOM 1067 CB LEU A 67 -23.807 -18.360 -20.150 1.00 34.24 C ATOM 1068 CG LEU A 67 -24.848 -18.635 -21.236 1.00 21.34 C ATOM 1069 CD1 LEU A 67 -26.015 -19.427 -20.667 1.00 73.43 C ATOM 1070 CD2 LEU A 67 -25.334 -17.331 -21.851 1.00 24.24 C ATOM 0 H LEU A 67 -21.814 -19.844 -20.203 1.00 24.34 H new ATOM 0 HA LEU A 67 -22.538 -17.463 -21.635 1.00 60.31 H new ATOM 0 HB2 LEU A 67 -23.670 -19.271 -19.567 1.00 34.24 H new ATOM 0 HB3 LEU A 67 -24.208 -17.606 -19.473 1.00 34.24 H new ATOM 0 HG LEU A 67 -24.380 -19.230 -22.020 1.00 21.34 H new ATOM 0 HD11 LEU A 67 -26.746 -19.614 -21.454 1.00 73.43 H new ATOM 0 HD12 LEU A 67 -25.653 -20.378 -20.275 1.00 73.43 H new ATOM 0 HD13 LEU A 67 -26.484 -18.858 -19.864 1.00 73.43 H new ATOM 0 HD21 LEU A 67 -26.074 -17.546 -22.622 1.00 24.24 H new ATOM 0 HD22 LEU A 67 -25.785 -16.710 -21.077 1.00 24.24 H new ATOM 0 HD23 LEU A 67 -24.491 -16.802 -22.295 1.00 24.24 H new ATOM 1082 N ALA A 68 -21.266 -17.236 -18.615 1.00 33.52 N ATOM 1083 CA ALA A 68 -20.700 -16.306 -17.646 1.00 21.44 C ATOM 1084 C ALA A 68 -19.531 -15.533 -18.246 1.00 25.23 C ATOM 1085 O ALA A 68 -19.592 -14.312 -18.390 1.00 33.15 O ATOM 1086 CB ALA A 68 -20.256 -17.053 -16.396 1.00 51.31 C ATOM 0 H ALA A 68 -21.135 -18.220 -18.381 1.00 33.52 H new ATOM 0 HA ALA A 68 -21.473 -15.588 -17.372 1.00 21.44 H new ATOM 0 HB1 ALA A 68 -19.835 -16.347 -15.680 1.00 51.31 H new ATOM 0 HB2 ALA A 68 -21.114 -17.555 -15.949 1.00 51.31 H new ATOM 0 HB3 ALA A 68 -19.501 -17.792 -16.663 1.00 51.31 H new ATOM 1092 N ILE A 69 -18.467 -16.251 -18.592 1.00 74.33 N ATOM 1093 CA ILE A 69 -17.285 -15.630 -19.177 1.00 21.51 C ATOM 1094 C ILE A 69 -17.656 -14.756 -20.370 1.00 64.31 C ATOM 1095 O ILE A 69 -17.041 -13.718 -20.606 1.00 45.34 O ATOM 1096 CB ILE A 69 -16.260 -16.688 -19.628 1.00 30.05 C ATOM 1097 CG1 ILE A 69 -15.790 -17.517 -18.432 1.00 0.23 C ATOM 1098 CG2 ILE A 69 -15.078 -16.020 -20.314 1.00 10.51 C ATOM 1099 CD1 ILE A 69 -16.386 -18.907 -18.387 1.00 5.22 C ATOM 0 H ILE A 69 -18.400 -17.262 -18.477 1.00 74.33 H new ATOM 0 HA ILE A 69 -16.837 -15.009 -18.401 1.00 21.51 H new ATOM 0 HB ILE A 69 -16.740 -17.357 -20.343 1.00 30.05 H new ATOM 0 HG12 ILE A 69 -14.703 -17.597 -18.461 1.00 0.23 H new ATOM 0 HG13 ILE A 69 -16.046 -16.991 -17.513 1.00 0.23 H new ATOM 0 HG21 ILE A 69 -14.362 -16.780 -20.627 1.00 10.51 H new ATOM 0 HG22 ILE A 69 -15.428 -15.469 -21.187 1.00 10.51 H new ATOM 0 HG23 ILE A 69 -14.596 -15.332 -19.620 1.00 10.51 H new ATOM 0 HD11 ILE A 69 -16.008 -19.437 -17.513 1.00 5.22 H new ATOM 0 HD12 ILE A 69 -17.472 -18.835 -18.326 1.00 5.22 H new ATOM 0 HD13 ILE A 69 -16.108 -19.451 -19.289 1.00 5.22 H new ATOM 1111 N ALA A 70 -18.668 -15.184 -21.119 1.00 1.15 N ATOM 1112 CA ALA A 70 -19.124 -14.439 -22.285 1.00 25.31 C ATOM 1113 C ALA A 70 -19.632 -13.057 -21.890 1.00 4.54 C ATOM 1114 O ALA A 70 -19.421 -12.079 -22.607 1.00 62.15 O ATOM 1115 CB ALA A 70 -20.211 -15.213 -23.015 1.00 22.21 C ATOM 0 H ALA A 70 -19.187 -16.043 -20.938 1.00 1.15 H new ATOM 0 HA ALA A 70 -18.274 -14.308 -22.955 1.00 25.31 H new ATOM 0 HB1 ALA A 70 -20.542 -14.644 -23.884 1.00 22.21 H new ATOM 0 HB2 ALA A 70 -19.816 -16.175 -23.340 1.00 22.21 H new ATOM 0 HB3 ALA A 70 -21.055 -15.375 -22.345 1.00 22.21 H new ATOM 1121 N TYR A 71 -20.299 -12.982 -20.744 1.00 34.21 N ATOM 1122 CA TYR A 71 -20.840 -11.719 -20.255 1.00 32.44 C ATOM 1123 C TYR A 71 -19.719 -10.762 -19.865 1.00 5.32 C ATOM 1124 O TYR A 71 -19.702 -9.605 -20.283 1.00 42.24 O ATOM 1125 CB TYR A 71 -21.756 -11.964 -19.054 1.00 74.43 C ATOM 1126 CG TYR A 71 -22.725 -10.833 -18.791 1.00 43.52 C ATOM 1127 CD1 TYR A 71 -23.482 -10.287 -19.821 1.00 20.20 C ATOM 1128 CD2 TYR A 71 -22.880 -10.308 -17.515 1.00 21.41 C ATOM 1129 CE1 TYR A 71 -24.367 -9.253 -19.585 1.00 65.24 C ATOM 1130 CE2 TYR A 71 -23.764 -9.275 -17.270 1.00 43.30 C ATOM 1131 CZ TYR A 71 -24.505 -8.751 -18.309 1.00 1.44 C ATOM 1132 OH TYR A 71 -25.385 -7.721 -18.069 1.00 40.14 O ATOM 0 H TYR A 71 -20.478 -13.781 -20.136 1.00 34.21 H new ATOM 0 HA TYR A 71 -21.419 -11.265 -21.059 1.00 32.44 H new ATOM 0 HB2 TYR A 71 -22.319 -12.883 -19.218 1.00 74.43 H new ATOM 0 HB3 TYR A 71 -21.143 -12.120 -18.166 1.00 74.43 H new ATOM 0 HD1 TYR A 71 -23.376 -10.678 -20.822 1.00 20.20 H new ATOM 0 HD2 TYR A 71 -22.299 -10.714 -16.700 1.00 21.41 H new ATOM 0 HE1 TYR A 71 -24.948 -8.840 -20.396 1.00 65.24 H new ATOM 0 HE2 TYR A 71 -23.874 -8.880 -16.271 1.00 43.30 H new ATOM 0 HH TYR A 71 -25.362 -7.486 -17.118 1.00 40.14 H new ATOM 1142 N ALA A 72 -18.782 -11.254 -19.061 1.00 43.31 N ATOM 1143 CA ALA A 72 -17.654 -10.444 -18.616 1.00 14.43 C ATOM 1144 C ALA A 72 -16.803 -9.991 -19.797 1.00 63.23 C ATOM 1145 O ALA A 72 -16.599 -8.795 -20.006 1.00 60.51 O ATOM 1146 CB ALA A 72 -16.807 -11.222 -17.620 1.00 5.42 C ATOM 0 H ALA A 72 -18.782 -12.210 -18.704 1.00 43.31 H new ATOM 0 HA ALA A 72 -18.049 -9.555 -18.125 1.00 14.43 H new ATOM 0 HB1 ALA A 72 -15.968 -10.606 -17.296 1.00 5.42 H new ATOM 0 HB2 ALA A 72 -17.415 -11.490 -16.756 1.00 5.42 H new ATOM 0 HB3 ALA A 72 -16.430 -12.128 -18.093 1.00 5.42 H new ATOM 1152 N VAL A 73 -16.308 -10.955 -20.568 1.00 70.04 N ATOM 1153 CA VAL A 73 -15.479 -10.655 -21.730 1.00 32.10 C ATOM 1154 C VAL A 73 -16.156 -9.636 -22.640 1.00 14.24 C ATOM 1155 O VAL A 73 -15.491 -8.855 -23.319 1.00 24.23 O ATOM 1156 CB VAL A 73 -15.170 -11.926 -22.542 1.00 54.31 C ATOM 1157 CG1 VAL A 73 -14.342 -11.586 -23.771 1.00 43.25 C ATOM 1158 CG2 VAL A 73 -14.455 -12.951 -21.674 1.00 43.34 C ATOM 0 H VAL A 73 -16.467 -11.950 -20.409 1.00 70.04 H new ATOM 0 HA VAL A 73 -14.545 -10.238 -21.353 1.00 32.10 H new ATOM 0 HB VAL A 73 -16.112 -12.361 -22.877 1.00 54.31 H new ATOM 0 HG11 VAL A 73 -14.133 -12.497 -24.332 1.00 43.25 H new ATOM 0 HG12 VAL A 73 -14.895 -10.890 -24.401 1.00 43.25 H new ATOM 0 HG13 VAL A 73 -13.403 -11.127 -23.462 1.00 43.25 H new ATOM 0 HG21 VAL A 73 -14.244 -13.843 -22.264 1.00 43.34 H new ATOM 0 HG22 VAL A 73 -13.519 -12.528 -21.308 1.00 43.34 H new ATOM 0 HG23 VAL A 73 -15.089 -13.217 -20.828 1.00 43.34 H new ATOM 1168 N ALA A 74 -17.486 -9.648 -22.647 1.00 22.50 N ATOM 1169 CA ALA A 74 -18.253 -8.724 -23.471 1.00 70.14 C ATOM 1170 C ALA A 74 -17.805 -7.284 -23.246 1.00 4.24 C ATOM 1171 O ALA A 74 -17.885 -6.450 -24.148 1.00 42.40 O ATOM 1172 CB ALA A 74 -19.740 -8.866 -23.179 1.00 22.32 C ATOM 0 H ALA A 74 -18.053 -10.288 -22.091 1.00 22.50 H new ATOM 0 HA ALA A 74 -18.072 -8.974 -24.516 1.00 70.14 H new ATOM 0 HB1 ALA A 74 -20.301 -8.169 -23.802 1.00 22.32 H new ATOM 0 HB2 ALA A 74 -20.058 -9.885 -23.397 1.00 22.32 H new ATOM 0 HB3 ALA A 74 -19.927 -8.645 -22.128 1.00 22.32 H new ATOM 1178 N HIS A 75 -17.332 -6.999 -22.037 1.00 2.41 N ATOM 1179 CA HIS A 75 -16.870 -5.659 -21.692 1.00 65.24 C ATOM 1180 C HIS A 75 -15.437 -5.696 -21.169 1.00 52.20 C ATOM 1181 O HIS A 75 -15.022 -4.826 -20.402 1.00 44.24 O ATOM 1182 CB HIS A 75 -17.791 -5.031 -20.647 1.00 73.34 C ATOM 1183 CG HIS A 75 -17.626 -3.548 -20.516 1.00 4.30 C ATOM 1184 ND1 HIS A 75 -17.895 -2.667 -21.542 1.00 2.33 N ATOM 1185 CD2 HIS A 75 -17.218 -2.792 -19.471 1.00 14.33 C ATOM 1186 CE1 HIS A 75 -17.658 -1.433 -21.134 1.00 3.24 C ATOM 1187 NE2 HIS A 75 -17.246 -1.481 -19.880 1.00 31.23 N ATOM 0 H HIS A 75 -17.259 -7.678 -21.280 1.00 2.41 H new ATOM 0 HA HIS A 75 -16.892 -5.051 -22.596 1.00 65.24 H new ATOM 0 HB2 HIS A 75 -18.826 -5.251 -20.908 1.00 73.34 H new ATOM 0 HB3 HIS A 75 -17.600 -5.496 -19.680 1.00 73.34 H new ATOM 0 HD2 HIS A 75 -16.925 -3.152 -18.496 1.00 14.33 H new ATOM 0 HE1 HIS A 75 -17.780 -0.537 -21.725 1.00 3.24 H new ATOM 0 HE2 HIS A 75 -16.990 -0.676 -19.308 1.00 31.23 H new ATOM 1195 N LYS A 76 -14.686 -6.709 -21.586 1.00 4.32 N ATOM 1196 CA LYS A 76 -13.299 -6.861 -21.159 1.00 60.32 C ATOM 1197 C LYS A 76 -13.188 -6.795 -19.639 1.00 64.43 C ATOM 1198 O LYS A 76 -12.314 -6.115 -19.101 1.00 61.53 O ATOM 1199 CB LYS A 76 -12.428 -5.774 -21.793 1.00 12.13 C ATOM 1200 CG LYS A 76 -12.132 -6.012 -23.263 1.00 51.02 C ATOM 1201 CD LYS A 76 -13.312 -5.624 -24.139 1.00 44.34 C ATOM 1202 CE LYS A 76 -12.935 -5.622 -25.613 1.00 23.31 C ATOM 1203 NZ LYS A 76 -12.763 -7.003 -26.143 1.00 73.53 N ATOM 0 H LYS A 76 -15.014 -7.438 -22.220 1.00 4.32 H new ATOM 0 HA LYS A 76 -12.947 -7.838 -21.489 1.00 60.32 H new ATOM 0 HB2 LYS A 76 -12.926 -4.811 -21.683 1.00 12.13 H new ATOM 0 HB3 LYS A 76 -11.487 -5.710 -21.247 1.00 12.13 H new ATOM 0 HG2 LYS A 76 -11.255 -5.436 -23.556 1.00 51.02 H new ATOM 0 HG3 LYS A 76 -11.890 -7.063 -23.421 1.00 51.02 H new ATOM 0 HD2 LYS A 76 -14.134 -6.321 -23.974 1.00 44.34 H new ATOM 0 HD3 LYS A 76 -13.670 -4.635 -23.852 1.00 44.34 H new ATOM 0 HE2 LYS A 76 -13.707 -5.107 -26.185 1.00 23.31 H new ATOM 0 HE3 LYS A 76 -12.010 -5.062 -25.751 1.00 23.31 H new ATOM 0 HZ1 LYS A 76 -12.507 -6.959 -27.150 1.00 73.53 H new ATOM 0 HZ2 LYS A 76 -12.009 -7.486 -25.614 1.00 73.53 H new ATOM 0 HZ3 LYS A 76 -13.653 -7.530 -26.035 1.00 73.53 H new ATOM 1217 N ILE A 77 -14.076 -7.508 -18.954 1.00 63.22 N ATOM 1218 CA ILE A 77 -14.074 -7.532 -17.497 1.00 13.34 C ATOM 1219 C ILE A 77 -13.303 -8.737 -16.968 1.00 43.50 C ATOM 1220 O ILE A 77 -13.386 -9.832 -17.523 1.00 44.01 O ATOM 1221 CB ILE A 77 -15.507 -7.566 -16.933 1.00 10.15 C ATOM 1222 CG1 ILE A 77 -16.297 -6.348 -17.415 1.00 25.22 C ATOM 1223 CG2 ILE A 77 -15.476 -7.616 -15.413 1.00 0.34 C ATOM 1224 CD1 ILE A 77 -17.792 -6.493 -17.245 1.00 75.05 C ATOM 0 H ILE A 77 -14.805 -8.076 -19.385 1.00 63.22 H new ATOM 0 HA ILE A 77 -13.584 -6.616 -17.167 1.00 13.34 H new ATOM 0 HB ILE A 77 -16.004 -8.465 -17.297 1.00 10.15 H new ATOM 0 HG12 ILE A 77 -15.961 -5.467 -16.868 1.00 25.22 H new ATOM 0 HG13 ILE A 77 -16.074 -6.174 -18.468 1.00 25.22 H new ATOM 0 HG21 ILE A 77 -16.496 -7.640 -15.029 1.00 0.34 H new ATOM 0 HG22 ILE A 77 -14.945 -8.511 -15.089 1.00 0.34 H new ATOM 0 HG23 ILE A 77 -14.964 -6.733 -15.030 1.00 0.34 H new ATOM 0 HD11 ILE A 77 -18.288 -5.593 -17.607 1.00 75.05 H new ATOM 0 HD12 ILE A 77 -18.141 -7.354 -17.815 1.00 75.05 H new ATOM 0 HD13 ILE A 77 -18.026 -6.637 -16.190 1.00 75.05 H new ATOM 1236 N ASP A 78 -12.555 -8.527 -15.890 1.00 41.04 N ATOM 1237 CA ASP A 78 -11.770 -9.596 -15.284 1.00 61.23 C ATOM 1238 C ASP A 78 -12.677 -10.606 -14.586 1.00 40.42 C ATOM 1239 O ASP A 78 -13.198 -10.342 -13.503 1.00 31.33 O ATOM 1240 CB ASP A 78 -10.766 -9.018 -14.285 1.00 54.32 C ATOM 1241 CG ASP A 78 -9.555 -8.412 -14.967 1.00 34.22 C ATOM 1242 OD1 ASP A 78 -8.615 -9.169 -15.289 1.00 4.03 O ATOM 1243 OD2 ASP A 78 -9.548 -7.183 -15.179 1.00 41.34 O ATOM 0 H ASP A 78 -12.476 -7.626 -15.418 1.00 41.04 H new ATOM 0 HA ASP A 78 -11.226 -10.109 -16.077 1.00 61.23 H new ATOM 0 HB2 ASP A 78 -11.258 -8.256 -13.680 1.00 54.32 H new ATOM 0 HB3 ASP A 78 -10.440 -9.805 -13.605 1.00 54.32 H new ATOM 1248 N TYR A 79 -12.860 -11.761 -15.215 1.00 62.33 N ATOM 1249 CA TYR A 79 -13.705 -12.809 -14.657 1.00 32.31 C ATOM 1250 C TYR A 79 -12.864 -13.886 -13.978 1.00 64.01 C ATOM 1251 O TYR A 79 -11.839 -14.316 -14.508 1.00 24.14 O ATOM 1252 CB TYR A 79 -14.568 -13.437 -15.753 1.00 22.33 C ATOM 1253 CG TYR A 79 -13.764 -14.053 -16.877 1.00 32.10 C ATOM 1254 CD1 TYR A 79 -13.301 -15.361 -16.791 1.00 12.41 C ATOM 1255 CD2 TYR A 79 -13.467 -13.327 -18.024 1.00 22.22 C ATOM 1256 CE1 TYR A 79 -12.567 -15.927 -17.814 1.00 3.45 C ATOM 1257 CE2 TYR A 79 -12.734 -13.886 -19.053 1.00 25.24 C ATOM 1258 CZ TYR A 79 -12.285 -15.186 -18.943 1.00 32.41 C ATOM 1259 OH TYR A 79 -11.554 -15.746 -19.965 1.00 35.02 O ATOM 0 H TYR A 79 -12.434 -11.995 -16.112 1.00 62.33 H new ATOM 0 HA TYR A 79 -14.354 -12.354 -13.908 1.00 32.31 H new ATOM 0 HB2 TYR A 79 -15.203 -14.203 -15.309 1.00 22.33 H new ATOM 0 HB3 TYR A 79 -15.229 -12.675 -16.165 1.00 22.33 H new ATOM 0 HD1 TYR A 79 -13.519 -15.944 -15.909 1.00 12.41 H new ATOM 0 HD2 TYR A 79 -13.815 -12.308 -18.113 1.00 22.22 H new ATOM 0 HE1 TYR A 79 -12.215 -16.945 -17.731 1.00 3.45 H new ATOM 0 HE2 TYR A 79 -12.514 -13.309 -19.939 1.00 25.24 H new ATOM 0 HH TYR A 79 -11.445 -15.091 -20.686 1.00 35.02 H new ATOM 1269 N THR A 80 -13.304 -14.317 -12.800 1.00 42.01 N ATOM 1270 CA THR A 80 -12.592 -15.342 -12.047 1.00 23.12 C ATOM 1271 C THR A 80 -13.435 -16.604 -11.904 1.00 61.02 C ATOM 1272 O THR A 80 -14.558 -16.560 -11.402 1.00 22.11 O ATOM 1273 CB THR A 80 -12.201 -14.839 -10.644 1.00 42.11 C ATOM 1274 OG1 THR A 80 -11.548 -15.883 -9.914 1.00 1.32 O ATOM 1275 CG2 THR A 80 -13.427 -14.367 -9.877 1.00 41.34 C ATOM 0 H THR A 80 -14.150 -13.972 -12.347 1.00 42.01 H new ATOM 0 HA THR A 80 -11.686 -15.574 -12.608 1.00 23.12 H new ATOM 0 HB THR A 80 -11.519 -13.997 -10.761 1.00 42.11 H new ATOM 0 HG1 THR A 80 -11.301 -15.555 -9.024 1.00 1.32 H new ATOM 0 HG21 THR A 80 -13.126 -14.017 -8.890 1.00 41.34 H new ATOM 0 HG22 THR A 80 -13.905 -13.552 -10.421 1.00 41.34 H new ATOM 0 HG23 THR A 80 -14.130 -15.193 -9.770 1.00 41.34 H new ATOM 1283 N VAL A 81 -12.886 -17.730 -12.350 1.00 50.30 N ATOM 1284 CA VAL A 81 -13.587 -19.006 -12.271 1.00 43.43 C ATOM 1285 C VAL A 81 -13.159 -19.793 -11.036 1.00 40.03 C ATOM 1286 O VAL A 81 -11.987 -20.136 -10.882 1.00 5.15 O ATOM 1287 CB VAL A 81 -13.335 -19.863 -13.525 1.00 32.51 C ATOM 1288 CG1 VAL A 81 -14.020 -19.251 -14.737 1.00 62.13 C ATOM 1289 CG2 VAL A 81 -11.842 -20.023 -13.770 1.00 41.02 C ATOM 0 H VAL A 81 -11.958 -17.784 -12.770 1.00 50.30 H new ATOM 0 HA VAL A 81 -14.651 -18.779 -12.203 1.00 43.43 H new ATOM 0 HB VAL A 81 -13.761 -20.853 -13.359 1.00 32.51 H new ATOM 0 HG11 VAL A 81 -13.831 -19.871 -15.614 1.00 62.13 H new ATOM 0 HG12 VAL A 81 -15.094 -19.194 -14.558 1.00 62.13 H new ATOM 0 HG13 VAL A 81 -13.627 -18.249 -14.909 1.00 62.13 H new ATOM 0 HG21 VAL A 81 -11.683 -20.631 -14.660 1.00 41.02 H new ATOM 0 HG22 VAL A 81 -11.390 -19.042 -13.915 1.00 41.02 H new ATOM 0 HG23 VAL A 81 -11.382 -20.510 -12.910 1.00 41.02 H new ATOM 1299 N LEU A 82 -14.117 -20.075 -10.161 1.00 11.32 N ATOM 1300 CA LEU A 82 -13.840 -20.822 -8.938 1.00 5.10 C ATOM 1301 C LEU A 82 -14.442 -22.221 -9.008 1.00 10.23 C ATOM 1302 O LEU A 82 -15.662 -22.380 -9.058 1.00 44.12 O ATOM 1303 CB LEU A 82 -14.394 -20.075 -7.724 1.00 43.34 C ATOM 1304 CG LEU A 82 -14.260 -20.789 -6.379 1.00 0.30 C ATOM 1305 CD1 LEU A 82 -12.797 -21.054 -6.059 1.00 11.04 C ATOM 1306 CD2 LEU A 82 -14.909 -19.970 -5.273 1.00 55.03 C ATOM 0 H LEU A 82 -15.092 -19.798 -10.275 1.00 11.32 H new ATOM 0 HA LEU A 82 -12.759 -20.916 -8.835 1.00 5.10 H new ATOM 0 HB2 LEU A 82 -13.889 -19.112 -7.653 1.00 43.34 H new ATOM 0 HB3 LEU A 82 -15.450 -19.869 -7.900 1.00 43.34 H new ATOM 0 HG LEU A 82 -14.776 -21.747 -6.445 1.00 0.30 H new ATOM 0 HD11 LEU A 82 -12.721 -21.563 -5.098 1.00 11.04 H new ATOM 0 HD12 LEU A 82 -12.362 -21.681 -6.837 1.00 11.04 H new ATOM 0 HD13 LEU A 82 -12.258 -20.108 -6.012 1.00 11.04 H new ATOM 0 HD21 LEU A 82 -14.804 -20.494 -4.323 1.00 55.03 H new ATOM 0 HD22 LEU A 82 -14.422 -18.997 -5.207 1.00 55.03 H new ATOM 0 HD23 LEU A 82 -15.967 -19.831 -5.496 1.00 55.03 H new