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= 0.0304 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 -15.730 -6.182 -11.673 1.00 13.23 N ATOM 125 CA ARG A 9 -15.160 -7.523 -11.633 1.00 31.04 C ATOM 126 C ARG A 9 -16.257 -8.578 -11.531 1.00 21.41 C ATOM 127 O ARG A 9 -17.221 -8.416 -10.783 1.00 43.31 O ATOM 128 CB ARG A 9 -14.198 -7.657 -10.450 1.00 52.33 C ATOM 129 CG ARG A 9 -12.838 -7.025 -10.698 1.00 24.32 C ATOM 130 CD ARG A 9 -12.082 -6.803 -9.398 1.00 31.32 C ATOM 131 NE ARG A 9 -10.796 -6.146 -9.617 1.00 32.22 N ATOM 132 CZ ARG A 9 -9.951 -5.839 -8.639 1.00 54.30 C ATOM 133 NH1 ARG A 9 -10.256 -6.127 -7.381 1.00 25.23 N ATOM 134 NH2 ARG A 9 -8.800 -5.242 -8.919 1.00 53.30 N ATOM 0 HA ARG A 9 -14.610 -7.684 -12.560 1.00 31.04 H new ATOM 0 HB2 ARG A 9 -14.649 -7.196 -9.571 1.00 52.33 H new ATOM 0 HB3 ARG A 9 -14.062 -8.714 -10.221 1.00 52.33 H new ATOM 0 HG2 ARG A 9 -12.252 -7.667 -11.356 1.00 24.32 H new ATOM 0 HG3 ARG A 9 -12.966 -6.073 -11.213 1.00 24.32 H new ATOM 0 HD2 ARG A 9 -12.689 -6.197 -8.725 1.00 31.32 H new ATOM 0 HD3 ARG A 9 -11.920 -7.761 -8.905 1.00 31.32 H new ATOM 0 HE ARG A 9 -10.532 -5.910 -10.574 1.00 32.22 H new ATOM 0 HH11 ARG A 9 -11.141 -6.585 -7.163 1.00 25.23 H new ATOM 0 HH12 ARG A 9 -9.606 -5.890 -6.632 1.00 25.23 H new ATOM 0 HH21 ARG A 9 -8.563 -5.018 -9.886 1.00 53.30 H new ATOM 0 HH22 ARG A 9 -8.152 -5.007 -8.168 1.00 53.30 H new ATOM 148 N ALA A 10 -16.103 -9.660 -12.288 1.00 51.52 N ATOM 149 CA ALA A 10 -17.080 -10.742 -12.282 1.00 0.50 C ATOM 150 C ALA A 10 -16.561 -11.945 -11.503 1.00 0.43 C ATOM 151 O ALA A 10 -15.448 -12.417 -11.739 1.00 14.31 O ATOM 152 CB ALA A 10 -17.430 -11.145 -13.707 1.00 12.33 C ATOM 0 H ALA A 10 -15.311 -9.810 -12.913 1.00 51.52 H new ATOM 0 HA ALA A 10 -17.981 -10.382 -11.786 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -18.160 -11.954 -13.687 1.00 12.33 H new ATOM 0 HB2 ALA A 10 -17.851 -10.289 -14.234 1.00 12.33 H new ATOM 0 HB3 ALA A 10 -16.530 -11.481 -14.221 1.00 12.33 H new ATOM 158 N ARG A 11 -17.374 -12.437 -10.573 1.00 25.33 N ATOM 159 CA ARG A 11 -16.995 -13.585 -9.757 1.00 42.34 C ATOM 160 C ARG A 11 -17.805 -14.818 -10.145 1.00 24.25 C ATOM 161 O ARG A 11 -18.973 -14.947 -9.776 1.00 63.01 O ATOM 162 CB ARG A 11 -17.199 -13.272 -8.274 1.00 32.03 C ATOM 163 CG ARG A 11 -17.125 -14.498 -7.378 1.00 33.21 C ATOM 164 CD ARG A 11 -16.712 -14.129 -5.961 1.00 42.25 C ATOM 165 NE ARG A 11 -15.264 -13.987 -5.834 1.00 71.34 N ATOM 166 CZ ARG A 11 -14.659 -13.598 -4.717 1.00 1.30 C ATOM 167 NH1 ARG A 11 -15.373 -13.313 -3.637 1.00 20.21 N ATOM 168 NH2 ARG A 11 -13.337 -13.492 -4.679 1.00 65.31 N ATOM 0 H ARG A 11 -18.298 -12.059 -10.366 1.00 25.33 H new ATOM 0 HA ARG A 11 -15.940 -13.794 -9.935 1.00 42.34 H new ATOM 0 HB2 ARG A 11 -16.444 -12.553 -7.956 1.00 32.03 H new ATOM 0 HB3 ARG A 11 -18.170 -12.794 -8.142 1.00 32.03 H new ATOM 0 HG2 ARG A 11 -18.095 -14.994 -7.358 1.00 33.21 H new ATOM 0 HG3 ARG A 11 -16.411 -15.210 -7.792 1.00 33.21 H new ATOM 0 HD2 ARG A 11 -17.195 -13.195 -5.674 1.00 42.25 H new ATOM 0 HD3 ARG A 11 -17.063 -14.895 -5.270 1.00 42.25 H new ATOM 0 HE ARG A 11 -14.686 -14.198 -6.647 1.00 71.34 H new ATOM 0 HH11 ARG A 11 -16.390 -13.392 -3.662 1.00 20.21 H new ATOM 0 HH12 ARG A 11 -14.906 -13.015 -2.781 1.00 20.21 H new ATOM 0 HH21 ARG A 11 -12.784 -13.709 -5.508 1.00 65.31 H new ATOM 0 HH22 ARG A 11 -12.874 -13.193 -3.821 1.00 65.31 H new ATOM 182 N ILE A 12 -17.177 -15.721 -10.890 1.00 32.43 N ATOM 183 CA ILE A 12 -17.840 -16.944 -11.326 1.00 60.42 C ATOM 184 C ILE A 12 -17.571 -18.091 -10.358 1.00 63.32 C ATOM 185 O ILE A 12 -16.457 -18.246 -9.857 1.00 44.44 O ATOM 186 CB ILE A 12 -17.382 -17.360 -12.737 1.00 1.51 C ATOM 187 CG1 ILE A 12 -17.701 -16.256 -13.747 1.00 43.41 C ATOM 188 CG2 ILE A 12 -18.045 -18.667 -13.146 1.00 2.35 C ATOM 189 CD1 ILE A 12 -16.859 -16.323 -15.002 1.00 31.02 C ATOM 0 H ILE A 12 -16.211 -15.629 -11.204 1.00 32.43 H new ATOM 0 HA ILE A 12 -18.909 -16.733 -11.347 1.00 60.42 H new ATOM 0 HB ILE A 12 -16.303 -17.512 -12.722 1.00 1.51 H new ATOM 0 HG12 ILE A 12 -18.754 -16.319 -14.022 1.00 43.41 H new ATOM 0 HG13 ILE A 12 -17.554 -15.286 -13.272 1.00 43.41 H new ATOM 0 HG21 ILE A 12 -17.711 -18.947 -14.145 1.00 2.35 H new ATOM 0 HG22 ILE A 12 -17.772 -19.450 -12.439 1.00 2.35 H new ATOM 0 HG23 ILE A 12 -19.128 -18.541 -13.147 1.00 2.35 H new ATOM 0 HD11 ILE A 12 -17.140 -15.510 -15.672 1.00 31.02 H new ATOM 0 HD12 ILE A 12 -15.805 -16.229 -14.739 1.00 31.02 H new ATOM 0 HD13 ILE A 12 -17.024 -17.278 -15.501 1.00 31.02 H new ATOM 201 N TYR A 13 -18.598 -18.893 -10.101 1.00 3.21 N ATOM 202 CA TYR A 13 -18.472 -20.027 -9.192 1.00 75.13 C ATOM 203 C TYR A 13 -19.267 -21.225 -9.703 1.00 62.35 C ATOM 204 O TYR A 13 -20.385 -21.080 -10.197 1.00 52.35 O ATOM 205 CB TYR A 13 -18.955 -19.640 -7.792 1.00 62.23 C ATOM 206 CG TYR A 13 -19.057 -20.812 -6.843 1.00 32.54 C ATOM 207 CD1 TYR A 13 -17.941 -21.577 -6.530 1.00 3.22 C ATOM 208 CD2 TYR A 13 -20.271 -21.156 -6.259 1.00 51.42 C ATOM 209 CE1 TYR A 13 -18.029 -22.650 -5.662 1.00 41.33 C ATOM 210 CE2 TYR A 13 -20.368 -22.225 -5.390 1.00 73.24 C ATOM 211 CZ TYR A 13 -19.245 -22.968 -5.095 1.00 22.42 C ATOM 212 OH TYR A 13 -19.338 -24.035 -4.231 1.00 33.31 O ATOM 0 H TYR A 13 -19.526 -18.780 -10.508 1.00 3.21 H new ATOM 0 HA TYR A 13 -17.420 -20.306 -9.143 1.00 75.13 H new ATOM 0 HB2 TYR A 13 -18.272 -18.901 -7.372 1.00 62.23 H new ATOM 0 HB3 TYR A 13 -19.931 -19.162 -7.873 1.00 62.23 H new ATOM 0 HD1 TYR A 13 -16.987 -21.330 -6.972 1.00 3.22 H new ATOM 0 HD2 TYR A 13 -21.153 -20.577 -6.489 1.00 51.42 H new ATOM 0 HE1 TYR A 13 -17.151 -23.235 -5.430 1.00 41.33 H new ATOM 0 HE2 TYR A 13 -21.319 -22.477 -4.944 1.00 73.24 H new ATOM 0 HH TYR A 13 -20.263 -24.124 -3.919 1.00 33.31 H new ATOM 468 N TRP A 30 -24.438 -22.490 -13.376 1.00 34.43 N ATOM 469 CA TRP A 30 -23.293 -21.777 -12.819 1.00 71.44 C ATOM 470 C TRP A 30 -23.728 -20.463 -12.181 1.00 55.11 C ATOM 471 O TRP A 30 -24.792 -19.930 -12.497 1.00 54.23 O ATOM 472 CB TRP A 30 -22.255 -21.509 -13.909 1.00 61.44 C ATOM 473 CG TRP A 30 -21.403 -22.702 -14.224 1.00 41.05 C ATOM 474 CD1 TRP A 30 -21.776 -23.813 -14.925 1.00 20.44 C ATOM 475 CD2 TRP A 30 -20.036 -22.902 -13.849 1.00 53.32 C ATOM 476 NE1 TRP A 30 -20.724 -24.693 -15.007 1.00 3.35 N ATOM 477 CE2 TRP A 30 -19.644 -24.156 -14.356 1.00 25.24 C ATOM 478 CE3 TRP A 30 -19.104 -22.142 -13.137 1.00 0.33 C ATOM 479 CZ2 TRP A 30 -18.361 -24.666 -14.170 1.00 35.44 C ATOM 480 CZ3 TRP A 30 -17.832 -22.650 -12.953 1.00 63.23 C ATOM 481 CH2 TRP A 30 -17.470 -23.901 -13.468 1.00 64.23 C ATOM 0 HA TRP A 30 -22.846 -22.404 -12.047 1.00 71.44 H new ATOM 0 HB2 TRP A 30 -22.766 -21.187 -14.816 1.00 61.44 H new ATOM 0 HB3 TRP A 30 -21.613 -20.686 -13.595 1.00 61.44 H new ATOM 0 HD1 TRP A 30 -22.754 -23.976 -15.352 1.00 20.44 H new ATOM 0 HE1 TRP A 30 -20.744 -25.599 -15.476 1.00 3.35 H new ATOM 0 HE3 TRP A 30 -19.373 -21.175 -12.738 1.00 0.33 H new ATOM 0 HZ2 TRP A 30 -18.080 -25.631 -14.566 1.00 35.44 H new ATOM 0 HZ3 TRP A 30 -17.104 -22.072 -12.402 1.00 63.23 H new ATOM 0 HH2 TRP A 30 -16.467 -24.269 -13.308 1.00 64.23 H new ATOM 492 N LYS A 31 -22.901 -19.945 -11.280 1.00 64.33 N ATOM 493 CA LYS A 31 -23.199 -18.692 -10.597 1.00 62.01 C ATOM 494 C LYS A 31 -22.197 -17.609 -10.985 1.00 61.04 C ATOM 495 O LYS A 31 -20.986 -17.836 -10.971 1.00 71.13 O ATOM 496 CB LYS A 31 -23.183 -18.897 -9.080 1.00 61.42 C ATOM 497 CG LYS A 31 -23.605 -17.667 -8.296 1.00 61.13 C ATOM 498 CD LYS A 31 -25.116 -17.504 -8.284 1.00 65.51 C ATOM 499 CE LYS A 31 -25.563 -16.533 -7.203 1.00 51.44 C ATOM 500 NZ LYS A 31 -27.039 -16.566 -7.004 1.00 45.22 N ATOM 0 H LYS A 31 -22.017 -20.374 -11.005 1.00 64.33 H new ATOM 0 HA LYS A 31 -24.194 -18.368 -10.903 1.00 62.01 H new ATOM 0 HB2 LYS A 31 -23.846 -19.724 -8.827 1.00 61.42 H new ATOM 0 HB3 LYS A 31 -22.179 -19.187 -8.772 1.00 61.42 H new ATOM 0 HG2 LYS A 31 -23.238 -17.744 -7.272 1.00 61.13 H new ATOM 0 HG3 LYS A 31 -23.146 -16.780 -8.734 1.00 61.13 H new ATOM 0 HD2 LYS A 31 -25.452 -17.147 -9.257 1.00 65.51 H new ATOM 0 HD3 LYS A 31 -25.586 -18.474 -8.121 1.00 65.51 H new ATOM 0 HE2 LYS A 31 -25.064 -16.779 -6.265 1.00 51.44 H new ATOM 0 HE3 LYS A 31 -25.255 -15.523 -7.472 1.00 51.44 H new ATOM 0 HZ1 LYS A 31 -27.304 -15.890 -6.259 1.00 45.22 H new ATOM 0 HZ2 LYS A 31 -27.515 -16.307 -7.892 1.00 45.22 H new ATOM 0 HZ3 LYS A 31 -27.330 -17.524 -6.722 1.00 45.22 H new ATOM 514 N LEU A 32 -22.708 -16.433 -11.330 1.00 12.42 N ATOM 515 CA LEU A 32 -21.858 -15.313 -11.719 1.00 62.45 C ATOM 516 C LEU A 32 -22.333 -14.016 -11.073 1.00 62.21 C ATOM 517 O LEU A 32 -23.482 -13.612 -11.244 1.00 60.31 O ATOM 518 CB LEU A 32 -21.846 -15.163 -13.242 1.00 30.01 C ATOM 519 CG LEU A 32 -21.026 -13.997 -13.795 1.00 2.50 C ATOM 520 CD1 LEU A 32 -21.844 -12.714 -13.780 1.00 72.42 C ATOM 521 CD2 LEU A 32 -19.743 -13.820 -12.997 1.00 20.32 C ATOM 0 H LEU A 32 -23.707 -16.230 -11.348 1.00 12.42 H new ATOM 0 HA LEU A 32 -20.846 -15.520 -11.371 1.00 62.45 H new ATOM 0 HB2 LEU A 32 -21.464 -16.087 -13.675 1.00 30.01 H new ATOM 0 HB3 LEU A 32 -22.875 -15.052 -13.584 1.00 30.01 H new ATOM 0 HG LEU A 32 -20.760 -14.224 -14.828 1.00 2.50 H new ATOM 0 HD11 LEU A 32 -21.244 -11.895 -14.177 1.00 72.42 H new ATOM 0 HD12 LEU A 32 -22.734 -12.843 -14.395 1.00 72.42 H new ATOM 0 HD13 LEU A 32 -22.140 -12.483 -12.757 1.00 72.42 H new ATOM 0 HD21 LEU A 32 -19.173 -12.986 -13.405 1.00 20.32 H new ATOM 0 HD22 LEU A 32 -19.988 -13.616 -11.955 1.00 20.32 H new ATOM 0 HD23 LEU A 32 -19.148 -14.731 -13.059 1.00 20.32 H new ATOM 533 N GLU A 33 -21.440 -13.369 -10.331 1.00 12.24 N ATOM 534 CA GLU A 33 -21.769 -12.118 -9.659 1.00 51.02 C ATOM 535 C GLU A 33 -20.771 -11.023 -10.028 1.00 23.53 C ATOM 536 O GLU A 33 -19.594 -11.096 -9.672 1.00 0.00 O ATOM 537 CB GLU A 33 -21.788 -12.316 -8.142 1.00 70.35 C ATOM 538 CG GLU A 33 -20.844 -13.404 -7.659 1.00 41.24 C ATOM 539 CD GLU A 33 -20.283 -13.119 -6.280 1.00 5.20 C ATOM 540 OE1 GLU A 33 -19.911 -11.955 -6.020 1.00 14.42 O ATOM 541 OE2 GLU A 33 -20.215 -14.059 -5.460 1.00 50.51 O ATOM 0 H GLU A 33 -20.484 -13.690 -10.180 1.00 12.24 H new ATOM 0 HA GLU A 33 -22.761 -11.809 -9.989 1.00 51.02 H new ATOM 0 HB2 GLU A 33 -21.524 -11.376 -7.658 1.00 70.35 H new ATOM 0 HB3 GLU A 33 -22.803 -12.562 -7.829 1.00 70.35 H new ATOM 0 HG2 GLU A 33 -21.372 -14.357 -7.642 1.00 41.24 H new ATOM 0 HG3 GLU A 33 -20.022 -13.507 -8.367 1.00 41.24 H new ATOM 548 N PHE A 34 -21.248 -10.012 -10.745 1.00 4.34 N ATOM 549 CA PHE A 34 -20.398 -8.904 -11.163 1.00 5.52 C ATOM 550 C PHE A 34 -20.687 -7.654 -10.337 1.00 15.34 C ATOM 551 O PHE A 34 -21.841 -7.354 -10.030 1.00 4.44 O ATOM 552 CB PHE A 34 -20.607 -8.605 -12.649 1.00 60.21 C ATOM 553 CG PHE A 34 -21.912 -7.924 -12.946 1.00 13.25 C ATOM 554 CD1 PHE A 34 -23.089 -8.652 -13.019 1.00 13.24 C ATOM 555 CD2 PHE A 34 -21.963 -6.555 -13.153 1.00 12.21 C ATOM 556 CE1 PHE A 34 -24.292 -8.028 -13.291 1.00 1.14 C ATOM 557 CE2 PHE A 34 -23.164 -5.926 -13.425 1.00 45.32 C ATOM 558 CZ PHE A 34 -24.328 -6.663 -13.495 1.00 75.12 C ATOM 0 H PHE A 34 -22.219 -9.937 -11.049 1.00 4.34 H new ATOM 0 HA PHE A 34 -19.360 -9.195 -11.000 1.00 5.52 H new ATOM 0 HB2 PHE A 34 -19.790 -7.977 -13.003 1.00 60.21 H new ATOM 0 HB3 PHE A 34 -20.558 -9.538 -13.210 1.00 60.21 H new ATOM 0 HD1 PHE A 34 -23.066 -9.720 -12.861 1.00 13.24 H new ATOM 0 HD2 PHE A 34 -21.055 -5.973 -13.101 1.00 12.21 H new ATOM 0 HE1 PHE A 34 -25.202 -8.607 -13.344 1.00 1.14 H new ATOM 0 HE2 PHE A 34 -23.191 -4.858 -13.583 1.00 45.32 H new ATOM 0 HZ PHE A 34 -25.266 -6.173 -13.709 1.00 75.12 H new ATOM 568 N GLU A 35 -19.631 -6.930 -9.980 1.00 4.44 N ATOM 569 CA GLU A 35 -19.771 -5.714 -9.187 1.00 51.20 C ATOM 570 C GLU A 35 -20.677 -4.708 -9.891 1.00 44.42 C ATOM 571 O GLU A 35 -20.900 -4.775 -11.100 1.00 34.21 O ATOM 572 CB GLU A 35 -18.400 -5.088 -8.926 1.00 4.55 C ATOM 573 CG GLU A 35 -17.740 -5.578 -7.648 1.00 33.11 C ATOM 574 CD GLU A 35 -16.251 -5.811 -7.812 1.00 71.34 C ATOM 575 OE1 GLU A 35 -15.639 -5.148 -8.676 1.00 62.32 O ATOM 576 OE2 GLU A 35 -15.697 -6.656 -7.078 1.00 52.40 O ATOM 0 H GLU A 35 -18.669 -7.164 -10.227 1.00 4.44 H new ATOM 0 HA GLU A 35 -20.226 -5.982 -8.234 1.00 51.20 H new ATOM 0 HB2 GLU A 35 -17.745 -5.305 -9.770 1.00 4.55 H new ATOM 0 HB3 GLU A 35 -18.508 -4.005 -8.877 1.00 4.55 H new ATOM 0 HG2 GLU A 35 -17.904 -4.848 -6.856 1.00 33.11 H new ATOM 0 HG3 GLU A 35 -18.216 -6.506 -7.330 1.00 33.11 H new ATOM 946 N LEU A 60 -26.015 -13.089 -10.164 1.00 62.43 N ATOM 947 CA LEU A 60 -26.933 -13.769 -11.072 1.00 23.21 C ATOM 948 C LEU A 60 -26.453 -15.186 -11.372 1.00 5.43 C ATOM 949 O LEU A 60 -25.300 -15.529 -11.110 1.00 64.42 O ATOM 950 CB LEU A 60 -27.071 -12.979 -12.375 1.00 21.23 C ATOM 951 CG LEU A 60 -25.958 -13.183 -13.405 1.00 54.40 C ATOM 952 CD1 LEU A 60 -26.372 -14.218 -14.438 1.00 31.40 C ATOM 953 CD2 LEU A 60 -25.608 -11.864 -14.078 1.00 21.22 C ATOM 0 HA LEU A 60 -27.907 -13.830 -10.586 1.00 23.21 H new ATOM 0 HB2 LEU A 60 -28.021 -13.245 -12.839 1.00 21.23 H new ATOM 0 HB3 LEU A 60 -27.122 -11.918 -12.130 1.00 21.23 H new ATOM 0 HG LEU A 60 -25.072 -13.551 -12.888 1.00 54.40 H new ATOM 0 HD11 LEU A 60 -25.569 -14.350 -15.163 1.00 31.40 H new ATOM 0 HD12 LEU A 60 -26.573 -15.167 -13.942 1.00 31.40 H new ATOM 0 HD13 LEU A 60 -27.272 -13.880 -14.952 1.00 31.40 H new ATOM 0 HD21 LEU A 60 -24.815 -12.027 -14.808 1.00 21.22 H new ATOM 0 HD22 LEU A 60 -26.489 -11.468 -14.583 1.00 21.22 H new ATOM 0 HD23 LEU A 60 -25.269 -11.151 -13.327 1.00 21.22 H new ATOM 965 N SER A 61 -27.343 -16.002 -11.925 1.00 34.33 N ATOM 966 CA SER A 61 -27.011 -17.383 -12.259 1.00 14.41 C ATOM 967 C SER A 61 -27.113 -17.616 -13.763 1.00 62.53 C ATOM 968 O SER A 61 -28.072 -17.190 -14.407 1.00 32.15 O ATOM 969 CB SER A 61 -27.941 -18.346 -11.518 1.00 23.14 C ATOM 970 OG SER A 61 -27.981 -18.052 -10.132 1.00 70.50 O ATOM 0 H SER A 61 -28.300 -15.732 -12.152 1.00 34.33 H new ATOM 0 HA SER A 61 -25.983 -17.570 -11.948 1.00 14.41 H new ATOM 0 HB2 SER A 61 -28.946 -18.280 -11.936 1.00 23.14 H new ATOM 0 HB3 SER A 61 -27.601 -19.371 -11.666 1.00 23.14 H new ATOM 0 HG SER A 61 -28.583 -18.680 -9.682 1.00 70.50 H new ATOM 976 N PHE A 62 -26.114 -18.297 -14.318 1.00 54.15 N ATOM 977 CA PHE A 62 -26.089 -18.587 -15.747 1.00 1.02 C ATOM 978 C PHE A 62 -26.273 -20.080 -16.001 1.00 74.13 C ATOM 979 O PHE A 62 -26.025 -20.907 -15.124 1.00 25.12 O ATOM 980 CB PHE A 62 -24.771 -18.113 -16.362 1.00 55.52 C ATOM 981 CG PHE A 62 -24.819 -16.698 -16.866 1.00 14.50 C ATOM 982 CD1 PHE A 62 -25.655 -16.351 -17.916 1.00 23.44 C ATOM 983 CD2 PHE A 62 -24.031 -15.716 -16.290 1.00 3.44 C ATOM 984 CE1 PHE A 62 -25.701 -15.051 -18.382 1.00 10.51 C ATOM 985 CE2 PHE A 62 -24.073 -14.413 -16.751 1.00 35.52 C ATOM 986 CZ PHE A 62 -24.910 -14.081 -17.799 1.00 15.35 C ATOM 0 H PHE A 62 -25.313 -18.657 -13.800 1.00 54.15 H new ATOM 0 HA PHE A 62 -26.914 -18.051 -16.216 1.00 1.02 H new ATOM 0 HB2 PHE A 62 -23.980 -18.198 -15.617 1.00 55.52 H new ATOM 0 HB3 PHE A 62 -24.505 -18.775 -17.186 1.00 55.52 H new ATOM 0 HD1 PHE A 62 -26.277 -17.105 -18.375 1.00 23.44 H new ATOM 0 HD2 PHE A 62 -23.375 -15.971 -15.470 1.00 3.44 H new ATOM 0 HE1 PHE A 62 -26.355 -14.794 -19.202 1.00 10.51 H new ATOM 0 HE2 PHE A 62 -23.453 -13.657 -16.293 1.00 35.52 H new ATOM 0 HZ PHE A 62 -24.945 -13.064 -18.162 1.00 15.35 H new ATOM 996 N THR A 63 -26.713 -20.418 -17.210 1.00 35.51 N ATOM 997 CA THR A 63 -26.934 -21.810 -17.581 1.00 4.24 C ATOM 998 C THR A 63 -25.617 -22.576 -17.649 1.00 71.31 C ATOM 999 O THR A 63 -25.488 -23.662 -17.081 1.00 43.44 O ATOM 1000 CB THR A 63 -27.651 -21.923 -18.939 1.00 44.25 C ATOM 1001 OG1 THR A 63 -28.460 -20.764 -19.164 1.00 44.41 O ATOM 1002 CG2 THR A 63 -28.518 -23.172 -18.992 1.00 51.51 C ATOM 0 H THR A 63 -26.923 -19.746 -17.948 1.00 35.51 H new ATOM 0 HA THR A 63 -27.566 -22.247 -16.808 1.00 4.24 H new ATOM 0 HB THR A 63 -26.893 -21.993 -19.720 1.00 44.25 H new ATOM 0 HG1 THR A 63 -28.911 -20.843 -20.030 1.00 44.41 H new ATOM 0 HG21 THR A 63 -29.014 -23.230 -19.961 1.00 51.51 H new ATOM 0 HG22 THR A 63 -27.894 -24.054 -18.851 1.00 51.51 H new ATOM 0 HG23 THR A 63 -29.268 -23.128 -18.202 1.00 51.51 H new ATOM 1010 N THR A 64 -24.641 -22.004 -18.346 1.00 61.25 N ATOM 1011 CA THR A 64 -23.333 -22.633 -18.489 1.00 32.31 C ATOM 1012 C THR A 64 -22.212 -21.649 -18.176 1.00 14.20 C ATOM 1013 O THR A 64 -22.420 -20.436 -18.179 1.00 54.23 O ATOM 1014 CB THR A 64 -23.130 -23.190 -19.911 1.00 14.30 C ATOM 1015 OG1 THR A 64 -23.866 -22.404 -20.855 1.00 61.11 O ATOM 1016 CG2 THR A 64 -23.578 -24.642 -19.993 1.00 14.41 C ATOM 0 H THR A 64 -24.731 -21.106 -18.821 1.00 61.25 H new ATOM 0 HA THR A 64 -23.299 -23.457 -17.776 1.00 32.31 H new ATOM 0 HB THR A 64 -22.067 -23.141 -20.148 1.00 14.30 H new ATOM 0 HG1 THR A 64 -23.730 -22.764 -21.756 1.00 61.11 H new ATOM 0 HG21 THR A 64 -23.425 -25.013 -21.006 1.00 14.41 H new ATOM 0 HG22 THR A 64 -22.995 -25.243 -19.295 1.00 14.41 H new ATOM 0 HG23 THR A 64 -24.635 -24.712 -19.737 1.00 14.41 H new ATOM 1024 N ARG A 65 -21.024 -22.179 -17.908 1.00 11.41 N ATOM 1025 CA ARG A 65 -19.870 -21.346 -17.592 1.00 1.41 C ATOM 1026 C ARG A 65 -19.591 -20.355 -18.717 1.00 42.31 C ATOM 1027 O ARG A 65 -19.386 -19.166 -18.474 1.00 20.34 O ATOM 1028 CB ARG A 65 -18.636 -22.218 -17.347 1.00 74.15 C ATOM 1029 CG ARG A 65 -18.324 -23.166 -18.494 1.00 52.22 C ATOM 1030 CD ARG A 65 -17.753 -24.482 -17.989 1.00 11.33 C ATOM 1031 NE ARG A 65 -18.120 -25.603 -18.849 1.00 31.23 N ATOM 1032 CZ ARG A 65 -17.706 -26.849 -18.649 1.00 21.23 C ATOM 1033 NH1 ARG A 65 -16.915 -27.132 -17.622 1.00 44.41 N ATOM 1034 NH2 ARG A 65 -18.083 -27.816 -19.475 1.00 64.24 N ATOM 0 H ARG A 65 -20.835 -23.181 -17.903 1.00 11.41 H new ATOM 0 HA ARG A 65 -20.096 -20.785 -16.685 1.00 1.41 H new ATOM 0 HB2 ARG A 65 -17.774 -21.573 -17.175 1.00 74.15 H new ATOM 0 HB3 ARG A 65 -18.787 -22.799 -16.437 1.00 74.15 H new ATOM 0 HG2 ARG A 65 -19.232 -23.358 -19.066 1.00 52.22 H new ATOM 0 HG3 ARG A 65 -17.612 -22.696 -19.173 1.00 52.22 H new ATOM 0 HD2 ARG A 65 -16.667 -24.408 -17.933 1.00 11.33 H new ATOM 0 HD3 ARG A 65 -18.112 -24.669 -16.977 1.00 11.33 H new ATOM 0 HE ARG A 65 -18.728 -25.419 -19.647 1.00 31.23 H new ATOM 0 HH11 ARG A 65 -16.623 -26.392 -16.984 1.00 44.41 H new ATOM 0 HH12 ARG A 65 -16.599 -28.090 -17.471 1.00 44.41 H new ATOM 0 HH21 ARG A 65 -18.692 -27.603 -20.265 1.00 64.24 H new ATOM 0 HH22 ARG A 65 -17.764 -28.772 -19.320 1.00 64.24 H new ATOM 1048 N GLU A 66 -19.583 -20.853 -19.950 1.00 51.20 N ATOM 1049 CA GLU A 66 -19.328 -20.011 -21.113 1.00 13.42 C ATOM 1050 C GLU A 66 -20.244 -18.791 -21.112 1.00 51.05 C ATOM 1051 O GLU A 66 -19.866 -17.715 -21.578 1.00 60.22 O ATOM 1052 CB GLU A 66 -19.524 -20.809 -22.403 1.00 31.05 C ATOM 1053 CG GLU A 66 -18.811 -20.211 -23.603 1.00 34.41 C ATOM 1054 CD GLU A 66 -17.360 -20.644 -23.695 1.00 32.31 C ATOM 1055 OE1 GLU A 66 -17.097 -21.709 -24.292 1.00 63.04 O ATOM 1056 OE2 GLU A 66 -16.490 -19.919 -23.171 1.00 1.13 O ATOM 0 H GLU A 66 -19.750 -21.835 -20.169 1.00 51.20 H new ATOM 0 HA GLU A 66 -18.295 -19.668 -21.061 1.00 13.42 H new ATOM 0 HB2 GLU A 66 -19.166 -21.827 -22.248 1.00 31.05 H new ATOM 0 HB3 GLU A 66 -20.590 -20.876 -22.621 1.00 31.05 H new ATOM 0 HG2 GLU A 66 -19.332 -20.505 -24.514 1.00 34.41 H new ATOM 0 HG3 GLU A 66 -18.859 -19.124 -23.545 1.00 34.41 H new ATOM 1063 N LEU A 67 -21.453 -18.965 -20.587 1.00 23.12 N ATOM 1064 CA LEU A 67 -22.425 -17.880 -20.526 1.00 12.20 C ATOM 1065 C LEU A 67 -21.911 -16.737 -19.656 1.00 13.32 C ATOM 1066 O LEU A 67 -22.109 -15.565 -19.974 1.00 31.10 O ATOM 1067 CB LEU A 67 -23.758 -18.393 -19.980 1.00 30.15 C ATOM 1068 CG LEU A 67 -24.990 -18.108 -20.838 1.00 51.33 C ATOM 1069 CD1 LEU A 67 -25.075 -16.628 -21.176 1.00 44.14 C ATOM 1070 CD2 LEU A 67 -24.961 -18.945 -22.109 1.00 21.35 C ATOM 0 H LEU A 67 -21.783 -19.848 -20.197 1.00 23.12 H new ATOM 0 HA LEU A 67 -22.576 -17.503 -21.537 1.00 12.20 H new ATOM 0 HB2 LEU A 67 -23.679 -19.471 -19.840 1.00 30.15 H new ATOM 0 HB3 LEU A 67 -23.917 -17.954 -18.995 1.00 30.15 H new ATOM 0 HG LEU A 67 -25.877 -18.381 -20.266 1.00 51.33 H new ATOM 0 HD11 LEU A 67 -25.959 -16.445 -21.787 1.00 44.14 H new ATOM 0 HD12 LEU A 67 -25.144 -16.048 -20.256 1.00 44.14 H new ATOM 0 HD13 LEU A 67 -24.184 -16.329 -21.728 1.00 44.14 H new ATOM 0 HD21 LEU A 67 -25.846 -18.729 -22.707 1.00 21.35 H new ATOM 0 HD22 LEU A 67 -24.067 -18.703 -22.683 1.00 21.35 H new ATOM 0 HD23 LEU A 67 -24.949 -20.003 -21.848 1.00 21.35 H new ATOM 1082 N ALA A 68 -21.250 -17.088 -18.557 1.00 64.14 N ATOM 1083 CA ALA A 68 -20.705 -16.091 -17.644 1.00 63.00 C ATOM 1084 C ALA A 68 -19.512 -15.372 -18.265 1.00 63.31 C ATOM 1085 O ALA A 68 -19.516 -14.148 -18.403 1.00 31.32 O ATOM 1086 CB ALA A 68 -20.304 -16.744 -16.329 1.00 71.22 C ATOM 0 H ALA A 68 -21.079 -18.054 -18.278 1.00 64.14 H new ATOM 0 HA ALA A 68 -21.480 -15.350 -17.448 1.00 63.00 H new ATOM 0 HB1 ALA A 68 -19.899 -15.988 -15.656 1.00 71.22 H new ATOM 0 HB2 ALA A 68 -21.178 -17.206 -15.871 1.00 71.22 H new ATOM 0 HB3 ALA A 68 -19.547 -17.506 -16.517 1.00 71.22 H new ATOM 1092 N ILE A 69 -18.492 -16.139 -18.637 1.00 52.24 N ATOM 1093 CA ILE A 69 -17.294 -15.574 -19.243 1.00 43.02 C ATOM 1094 C ILE A 69 -17.639 -14.745 -20.475 1.00 42.54 C ATOM 1095 O ILE A 69 -16.992 -13.738 -20.761 1.00 24.25 O ATOM 1096 CB ILE A 69 -16.293 -16.674 -19.642 1.00 60.24 C ATOM 1097 CG1 ILE A 69 -15.891 -17.498 -18.418 1.00 11.23 C ATOM 1098 CG2 ILE A 69 -15.066 -16.060 -20.301 1.00 63.12 C ATOM 1099 CD1 ILE A 69 -16.503 -18.881 -18.393 1.00 22.44 C ATOM 0 H ILE A 69 -18.472 -17.153 -18.529 1.00 52.24 H new ATOM 0 HA ILE A 69 -16.835 -14.931 -18.493 1.00 43.02 H new ATOM 0 HB ILE A 69 -16.773 -17.338 -20.361 1.00 60.24 H new ATOM 0 HG12 ILE A 69 -14.805 -17.590 -18.392 1.00 11.23 H new ATOM 0 HG13 ILE A 69 -16.187 -16.962 -17.516 1.00 11.23 H new ATOM 0 HG21 ILE A 69 -14.368 -16.850 -20.577 1.00 63.12 H new ATOM 0 HG22 ILE A 69 -15.368 -15.514 -21.195 1.00 63.12 H new ATOM 0 HG23 ILE A 69 -14.582 -15.376 -19.604 1.00 63.12 H new ATOM 0 HD11 ILE A 69 -16.174 -19.408 -17.497 1.00 22.44 H new ATOM 0 HD12 ILE A 69 -17.590 -18.798 -18.387 1.00 22.44 H new ATOM 0 HD13 ILE A 69 -16.186 -19.435 -19.277 1.00 22.44 H new ATOM 1111 N ALA A 70 -18.665 -15.174 -21.202 1.00 20.52 N ATOM 1112 CA ALA A 70 -19.100 -14.469 -22.402 1.00 23.42 C ATOM 1113 C ALA A 70 -19.663 -13.095 -22.058 1.00 2.04 C ATOM 1114 O ALA A 70 -19.625 -12.176 -22.876 1.00 40.11 O ATOM 1115 CB ALA A 70 -20.137 -15.293 -23.151 1.00 31.21 C ATOM 0 H ALA A 70 -19.211 -16.007 -20.981 1.00 20.52 H new ATOM 0 HA ALA A 70 -18.231 -14.326 -23.044 1.00 23.42 H new ATOM 0 HB1 ALA A 70 -20.453 -14.755 -24.045 1.00 31.21 H new ATOM 0 HB2 ALA A 70 -19.702 -16.250 -23.439 1.00 31.21 H new ATOM 0 HB3 ALA A 70 -20.999 -15.465 -22.507 1.00 31.21 H new ATOM 1121 N TYR A 71 -20.183 -12.961 -20.843 1.00 70.12 N ATOM 1122 CA TYR A 71 -20.756 -11.699 -20.392 1.00 54.52 C ATOM 1123 C TYR A 71 -19.660 -10.715 -19.992 1.00 60.11 C ATOM 1124 O TYR A 71 -19.679 -9.552 -20.392 1.00 52.55 O ATOM 1125 CB TYR A 71 -21.700 -11.935 -19.211 1.00 22.42 C ATOM 1126 CG TYR A 71 -22.409 -10.685 -18.743 1.00 1.32 C ATOM 1127 CD1 TYR A 71 -22.946 -9.784 -19.655 1.00 24.34 C ATOM 1128 CD2 TYR A 71 -22.542 -10.404 -17.388 1.00 64.34 C ATOM 1129 CE1 TYR A 71 -23.594 -8.641 -19.231 1.00 11.31 C ATOM 1130 CE2 TYR A 71 -23.190 -9.263 -16.956 1.00 23.10 C ATOM 1131 CZ TYR A 71 -23.714 -8.385 -17.881 1.00 43.10 C ATOM 1132 OH TYR A 71 -24.359 -7.246 -17.454 1.00 14.11 O ATOM 0 H TYR A 71 -20.219 -13.711 -20.153 1.00 70.12 H new ATOM 0 HA TYR A 71 -21.321 -11.270 -21.220 1.00 54.52 H new ATOM 0 HB2 TYR A 71 -22.444 -12.680 -19.495 1.00 22.42 H new ATOM 0 HB3 TYR A 71 -21.131 -12.353 -18.380 1.00 22.42 H new ATOM 0 HD1 TYR A 71 -22.855 -9.981 -20.713 1.00 24.34 H new ATOM 0 HD2 TYR A 71 -22.132 -11.089 -16.661 1.00 64.34 H new ATOM 0 HE1 TYR A 71 -24.005 -7.951 -19.953 1.00 11.31 H new ATOM 0 HE2 TYR A 71 -23.286 -9.060 -15.900 1.00 23.10 H new ATOM 0 HH TYR A 71 -24.357 -7.217 -16.474 1.00 14.11 H new ATOM 1142 N ALA A 72 -18.706 -11.192 -19.200 1.00 30.41 N ATOM 1143 CA ALA A 72 -17.600 -10.358 -18.747 1.00 44.45 C ATOM 1144 C ALA A 72 -16.698 -9.962 -19.912 1.00 73.52 C ATOM 1145 O ALA A 72 -16.474 -8.779 -20.164 1.00 14.43 O ATOM 1146 CB ALA A 72 -16.797 -11.080 -17.677 1.00 31.41 C ATOM 0 H ALA A 72 -18.677 -12.153 -18.858 1.00 30.41 H new ATOM 0 HA ALA A 72 -18.017 -9.447 -18.318 1.00 44.45 H new ATOM 0 HB1 ALA A 72 -15.974 -10.445 -17.349 1.00 31.41 H new ATOM 0 HB2 ALA A 72 -17.442 -11.306 -16.828 1.00 31.41 H new ATOM 0 HB3 ALA A 72 -16.398 -12.008 -18.086 1.00 31.41 H new ATOM 1152 N VAL A 73 -16.181 -10.962 -20.619 1.00 30.31 N ATOM 1153 CA VAL A 73 -15.303 -10.720 -21.758 1.00 55.43 C ATOM 1154 C VAL A 73 -15.936 -9.741 -22.741 1.00 33.05 C ATOM 1155 O VAL A 73 -15.242 -8.947 -23.375 1.00 5.20 O ATOM 1156 CB VAL A 73 -14.968 -12.028 -22.497 1.00 61.01 C ATOM 1157 CG1 VAL A 73 -14.091 -11.748 -23.709 1.00 54.32 C ATOM 1158 CG2 VAL A 73 -14.291 -13.014 -21.557 1.00 1.53 C ATOM 0 H VAL A 73 -16.355 -11.948 -20.423 1.00 30.31 H new ATOM 0 HA VAL A 73 -14.383 -10.290 -21.362 1.00 55.43 H new ATOM 0 HB VAL A 73 -15.899 -12.475 -22.846 1.00 61.01 H new ATOM 0 HG11 VAL A 73 -13.865 -12.685 -24.219 1.00 54.32 H new ATOM 0 HG12 VAL A 73 -14.617 -11.081 -24.392 1.00 54.32 H new ATOM 0 HG13 VAL A 73 -13.163 -11.278 -23.385 1.00 54.32 H new ATOM 0 HG21 VAL A 73 -14.062 -13.933 -22.097 1.00 1.53 H new ATOM 0 HG22 VAL A 73 -13.368 -12.578 -21.175 1.00 1.53 H new ATOM 0 HG23 VAL A 73 -14.957 -13.239 -20.724 1.00 1.53 H new ATOM 1168 N ALA A 74 -17.258 -9.804 -22.862 1.00 3.45 N ATOM 1169 CA ALA A 74 -17.986 -8.921 -23.765 1.00 4.21 C ATOM 1170 C ALA A 74 -17.736 -7.457 -23.420 1.00 44.42 C ATOM 1171 O ALA A 74 -17.734 -6.593 -24.299 1.00 20.44 O ATOM 1172 CB ALA A 74 -19.475 -9.229 -23.719 1.00 25.41 C ATOM 0 H ALA A 74 -17.847 -10.458 -22.346 1.00 3.45 H new ATOM 0 HA ALA A 74 -17.621 -9.097 -24.777 1.00 4.21 H new ATOM 0 HB1 ALA A 74 -20.006 -8.562 -24.398 1.00 25.41 H new ATOM 0 HB2 ALA A 74 -19.642 -10.263 -24.021 1.00 25.41 H new ATOM 0 HB3 ALA A 74 -19.845 -9.083 -22.704 1.00 25.41 H new ATOM 1178 N HIS A 75 -17.527 -7.183 -22.137 1.00 55.53 N ATOM 1179 CA HIS A 75 -17.277 -5.821 -21.677 1.00 14.22 C ATOM 1180 C HIS A 75 -15.881 -5.698 -21.075 1.00 30.20 C ATOM 1181 O HIS A 75 -15.614 -4.803 -20.274 1.00 10.31 O ATOM 1182 CB HIS A 75 -18.328 -5.408 -20.645 1.00 3.22 C ATOM 1183 CG HIS A 75 -18.649 -3.944 -20.670 1.00 31.33 C ATOM 1184 ND1 HIS A 75 -19.641 -3.406 -21.462 1.00 42.40 N ATOM 1185 CD2 HIS A 75 -18.104 -2.907 -19.993 1.00 22.34 C ATOM 1186 CE1 HIS A 75 -19.690 -2.099 -21.272 1.00 75.31 C ATOM 1187 NE2 HIS A 75 -18.768 -1.771 -20.385 1.00 52.11 N ATOM 0 H HIS A 75 -17.526 -7.885 -21.397 1.00 55.53 H new ATOM 0 HA HIS A 75 -17.342 -5.156 -22.538 1.00 14.22 H new ATOM 0 HB2 HIS A 75 -19.242 -5.975 -20.822 1.00 3.22 H new ATOM 0 HB3 HIS A 75 -17.974 -5.677 -19.650 1.00 3.22 H new ATOM 0 HD2 HIS A 75 -17.297 -2.963 -19.277 1.00 22.34 H new ATOM 0 HE1 HIS A 75 -20.369 -1.415 -21.759 1.00 75.31 H new ATOM 0 HE2 HIS A 75 -18.580 -0.827 -20.046 1.00 52.11 H new ATOM 1195 N LYS A 76 -14.992 -6.606 -21.466 1.00 15.35 N ATOM 1196 CA LYS A 76 -13.622 -6.601 -20.966 1.00 1.44 C ATOM 1197 C LYS A 76 -13.600 -6.554 -19.441 1.00 1.50 C ATOM 1198 O LYS A 76 -12.907 -5.727 -18.847 1.00 23.40 O ATOM 1199 CB LYS A 76 -12.855 -5.405 -21.535 1.00 4.04 C ATOM 1200 CG LYS A 76 -12.589 -5.507 -23.027 1.00 75.13 C ATOM 1201 CD LYS A 76 -11.841 -4.291 -23.545 1.00 12.44 C ATOM 1202 CE LYS A 76 -12.740 -3.064 -23.597 1.00 3.34 C ATOM 1203 NZ LYS A 76 -12.166 -1.992 -24.458 1.00 34.51 N ATOM 0 H LYS A 76 -15.196 -7.355 -22.128 1.00 15.35 H new ATOM 0 HA LYS A 76 -13.139 -7.523 -21.291 1.00 1.44 H new ATOM 0 HB2 LYS A 76 -13.420 -4.494 -21.337 1.00 4.04 H new ATOM 0 HB3 LYS A 76 -11.904 -5.311 -21.011 1.00 4.04 H new ATOM 0 HG2 LYS A 76 -12.009 -6.407 -23.233 1.00 75.13 H new ATOM 0 HG3 LYS A 76 -13.535 -5.608 -23.560 1.00 75.13 H new ATOM 0 HD2 LYS A 76 -10.984 -4.089 -22.902 1.00 12.44 H new ATOM 0 HD3 LYS A 76 -11.450 -4.500 -24.541 1.00 12.44 H new ATOM 0 HE2 LYS A 76 -13.721 -3.349 -23.977 1.00 3.34 H new ATOM 0 HE3 LYS A 76 -12.888 -2.679 -22.588 1.00 3.34 H new ATOM 0 HZ1 LYS A 76 -12.808 -1.174 -24.468 1.00 34.51 H new ATOM 0 HZ2 LYS A 76 -11.241 -1.702 -24.081 1.00 34.51 H new ATOM 0 HZ3 LYS A 76 -12.048 -2.351 -25.427 1.00 34.51 H new ATOM 1217 N ILE A 77 -14.359 -7.445 -18.815 1.00 33.43 N ATOM 1218 CA ILE A 77 -14.423 -7.507 -17.360 1.00 73.32 C ATOM 1219 C ILE A 77 -13.604 -8.675 -16.823 1.00 33.11 C ATOM 1220 O ILE A 77 -13.609 -9.766 -17.395 1.00 10.31 O ATOM 1221 CB ILE A 77 -15.875 -7.642 -16.865 1.00 74.52 C ATOM 1222 CG1 ILE A 77 -16.726 -6.481 -17.387 1.00 25.40 C ATOM 1223 CG2 ILE A 77 -15.915 -7.694 -15.346 1.00 4.13 C ATOM 1224 CD1 ILE A 77 -18.214 -6.712 -17.248 1.00 21.32 C ATOM 0 H ILE A 77 -14.939 -8.135 -19.292 1.00 33.43 H new ATOM 0 HA ILE A 77 -14.006 -6.572 -16.986 1.00 73.32 H new ATOM 0 HB ILE A 77 -16.289 -8.573 -17.251 1.00 74.52 H new ATOM 0 HG12 ILE A 77 -16.456 -5.573 -16.849 1.00 25.40 H new ATOM 0 HG13 ILE A 77 -16.489 -6.311 -18.437 1.00 25.40 H new ATOM 0 HG21 ILE A 77 -16.948 -7.789 -15.012 1.00 4.13 H new ATOM 0 HG22 ILE A 77 -15.340 -8.551 -14.996 1.00 4.13 H new ATOM 0 HG23 ILE A 77 -15.485 -6.779 -14.939 1.00 4.13 H new ATOM 0 HD11 ILE A 77 -18.754 -5.849 -17.638 1.00 21.32 H new ATOM 0 HD12 ILE A 77 -18.498 -7.602 -17.810 1.00 21.32 H new ATOM 0 HD13 ILE A 77 -18.464 -6.852 -16.196 1.00 21.32 H new ATOM 1236 N ASP A 78 -12.902 -8.440 -15.719 1.00 31.22 N ATOM 1237 CA ASP A 78 -12.080 -9.474 -15.102 1.00 21.14 C ATOM 1238 C ASP A 78 -12.951 -10.542 -14.446 1.00 5.12 C ATOM 1239 O ASP A 78 -13.484 -10.339 -13.356 1.00 11.23 O ATOM 1240 CB ASP A 78 -11.141 -8.857 -14.064 1.00 42.43 C ATOM 1241 CG ASP A 78 -10.124 -9.851 -13.538 1.00 74.50 C ATOM 1242 OD1 ASP A 78 -9.260 -10.289 -14.327 1.00 22.23 O ATOM 1243 OD2 ASP A 78 -10.193 -10.191 -12.338 1.00 74.14 O ATOM 0 H ASP A 78 -12.886 -7.543 -15.234 1.00 31.22 H new ATOM 0 HA ASP A 78 -11.485 -9.945 -15.884 1.00 21.14 H new ATOM 0 HB2 ASP A 78 -10.620 -8.009 -14.509 1.00 42.43 H new ATOM 0 HB3 ASP A 78 -11.729 -8.469 -13.232 1.00 42.43 H new ATOM 1248 N TYR A 79 -13.090 -11.679 -15.118 1.00 63.33 N ATOM 1249 CA TYR A 79 -13.898 -12.778 -14.604 1.00 11.52 C ATOM 1250 C TYR A 79 -13.019 -13.845 -13.960 1.00 32.21 C ATOM 1251 O TYR A 79 -12.026 -14.284 -14.541 1.00 35.22 O ATOM 1252 CB TYR A 79 -14.730 -13.396 -15.727 1.00 71.35 C ATOM 1253 CG TYR A 79 -13.898 -14.029 -16.820 1.00 32.43 C ATOM 1254 CD1 TYR A 79 -13.465 -13.286 -17.910 1.00 51.22 C ATOM 1255 CD2 TYR A 79 -13.544 -15.371 -16.760 1.00 73.33 C ATOM 1256 CE1 TYR A 79 -12.704 -13.860 -18.910 1.00 70.45 C ATOM 1257 CE2 TYR A 79 -12.783 -15.954 -17.755 1.00 51.10 C ATOM 1258 CZ TYR A 79 -12.366 -15.195 -18.829 1.00 13.52 C ATOM 1259 OH TYR A 79 -11.608 -15.770 -19.822 1.00 23.13 O ATOM 0 H TYR A 79 -12.653 -11.864 -16.021 1.00 63.33 H new ATOM 0 HA TYR A 79 -14.568 -12.378 -13.843 1.00 11.52 H new ATOM 0 HB2 TYR A 79 -15.393 -14.151 -15.304 1.00 71.35 H new ATOM 0 HB3 TYR A 79 -15.364 -12.625 -16.165 1.00 71.35 H new ATOM 0 HD1 TYR A 79 -13.728 -12.241 -17.977 1.00 51.22 H new ATOM 0 HD2 TYR A 79 -13.869 -15.969 -15.921 1.00 73.33 H new ATOM 0 HE1 TYR A 79 -12.375 -13.267 -19.751 1.00 70.45 H new ATOM 0 HE2 TYR A 79 -12.516 -16.999 -17.692 1.00 51.10 H new ATOM 0 HH TYR A 79 -11.458 -16.716 -19.613 1.00 23.13 H new ATOM 1269 N THR A 80 -13.392 -14.260 -12.753 1.00 13.13 N ATOM 1270 CA THR A 80 -12.640 -15.275 -12.027 1.00 20.54 C ATOM 1271 C THR A 80 -13.461 -16.548 -11.852 1.00 72.53 C ATOM 1272 O THR A 80 -14.573 -16.513 -11.327 1.00 35.10 O ATOM 1273 CB THR A 80 -12.201 -14.767 -10.641 1.00 71.15 C ATOM 1274 OG1 THR A 80 -11.529 -15.810 -9.927 1.00 4.35 O ATOM 1275 CG2 THR A 80 -13.399 -14.286 -9.837 1.00 10.40 C ATOM 0 H THR A 80 -14.211 -13.908 -12.258 1.00 13.13 H new ATOM 0 HA THR A 80 -11.754 -15.496 -12.622 1.00 20.54 H new ATOM 0 HB THR A 80 -11.519 -13.929 -10.785 1.00 71.15 H new ATOM 0 HG1 THR A 80 -11.252 -15.478 -9.048 1.00 4.35 H new ATOM 0 HG21 THR A 80 -13.064 -13.932 -8.862 1.00 10.40 H new ATOM 0 HG22 THR A 80 -13.891 -13.472 -10.369 1.00 10.40 H new ATOM 0 HG23 THR A 80 -14.101 -15.109 -9.703 1.00 10.40 H new ATOM 1283 N VAL A 81 -12.905 -17.671 -12.295 1.00 2.15 N ATOM 1284 CA VAL A 81 -13.586 -18.957 -12.186 1.00 3.45 C ATOM 1285 C VAL A 81 -13.263 -19.637 -10.860 1.00 54.00 C ATOM 1286 O VAL A 81 -12.098 -19.888 -10.545 1.00 13.20 O ATOM 1287 CB VAL A 81 -13.198 -19.897 -13.342 1.00 1.13 C ATOM 1288 CG1 VAL A 81 -13.876 -21.249 -13.180 1.00 23.01 C ATOM 1289 CG2 VAL A 81 -13.552 -19.269 -14.680 1.00 72.34 C ATOM 0 H VAL A 81 -11.985 -17.717 -12.733 1.00 2.15 H new ATOM 0 HA VAL A 81 -14.656 -18.756 -12.237 1.00 3.45 H new ATOM 0 HB VAL A 81 -12.120 -20.053 -13.315 1.00 1.13 H new ATOM 0 HG11 VAL A 81 -13.590 -21.901 -14.006 1.00 23.01 H new ATOM 0 HG12 VAL A 81 -13.566 -21.701 -12.238 1.00 23.01 H new ATOM 0 HG13 VAL A 81 -14.958 -21.116 -13.180 1.00 23.01 H new ATOM 0 HG21 VAL A 81 -13.271 -19.947 -15.486 1.00 72.34 H new ATOM 0 HG22 VAL A 81 -14.625 -19.081 -14.721 1.00 72.34 H new ATOM 0 HG23 VAL A 81 -13.014 -18.328 -14.794 1.00 72.34 H new ATOM 1299 N LEU A 82 -14.301 -19.936 -10.087 1.00 62.31 N ATOM 1300 CA LEU A 82 -14.130 -20.590 -8.794 1.00 62.55 C ATOM 1301 C LEU A 82 -14.614 -22.036 -8.847 1.00 1.11 C ATOM 1302 O LEU A 82 -15.816 -22.298 -8.837 1.00 50.04 O ATOM 1303 CB LEU A 82 -14.889 -19.825 -7.709 1.00 21.32 C ATOM 1304 CG LEU A 82 -14.261 -18.507 -7.252 1.00 72.44 C ATOM 1305 CD1 LEU A 82 -15.291 -17.644 -6.540 1.00 33.44 C ATOM 1306 CD2 LEU A 82 -13.065 -18.770 -6.350 1.00 32.23 C ATOM 0 H LEU A 82 -15.270 -19.736 -10.333 1.00 62.31 H new ATOM 0 HA LEU A 82 -13.067 -20.591 -8.553 1.00 62.55 H new ATOM 0 HB2 LEU A 82 -15.895 -19.617 -8.075 1.00 21.32 H new ATOM 0 HB3 LEU A 82 -14.994 -20.475 -6.840 1.00 21.32 H new ATOM 0 HG LEU A 82 -13.913 -17.968 -8.133 1.00 72.44 H new ATOM 0 HD11 LEU A 82 -14.826 -16.711 -6.222 1.00 33.44 H new ATOM 0 HD12 LEU A 82 -16.115 -17.426 -7.219 1.00 33.44 H new ATOM 0 HD13 LEU A 82 -15.671 -18.176 -5.668 1.00 33.44 H new ATOM 0 HD21 LEU A 82 -12.631 -17.821 -6.035 1.00 32.23 H new ATOM 0 HD22 LEU A 82 -13.387 -19.331 -5.473 1.00 32.23 H new ATOM 0 HD23 LEU A 82 -12.318 -19.347 -6.895 1.00 32.23 H new