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 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=-0.000649 K(o=-0.00065,f=-0.63) 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 -15.616 -6.157 -11.142 1.00 12.25 N ATOM 125 CA ARG A 9 -15.083 -7.444 -11.573 1.00 24.24 C ATOM 126 C ARG A 9 -16.176 -8.510 -11.580 1.00 24.01 C ATOM 127 O ARG A 9 -17.196 -8.371 -10.907 1.00 3.23 O ATOM 128 CB ARG A 9 -13.939 -7.878 -10.655 1.00 62.41 C ATOM 129 CG ARG A 9 -12.715 -6.980 -10.741 1.00 3.24 C ATOM 130 CD ARG A 9 -11.867 -7.072 -9.482 1.00 13.33 C ATOM 131 NE ARG A 9 -11.259 -8.390 -9.327 1.00 2.54 N ATOM 132 CZ ARG A 9 -10.699 -8.812 -8.198 1.00 62.12 C ATOM 133 NH1 ARG A 9 -10.670 -8.023 -7.133 1.00 20.33 N ATOM 134 NH2 ARG A 9 -10.166 -10.026 -8.135 1.00 4.44 N ATOM 0 HA ARG A 9 -14.703 -7.331 -12.588 1.00 24.24 H new ATOM 0 HB2 ARG A 9 -14.296 -7.893 -9.625 1.00 62.41 H new ATOM 0 HB3 ARG A 9 -13.649 -8.898 -10.907 1.00 62.41 H new ATOM 0 HG2 ARG A 9 -12.115 -7.262 -11.606 1.00 3.24 H new ATOM 0 HG3 ARG A 9 -13.030 -5.948 -10.894 1.00 3.24 H new ATOM 0 HD2 ARG A 9 -11.085 -6.314 -9.516 1.00 13.33 H new ATOM 0 HD3 ARG A 9 -12.486 -6.854 -8.612 1.00 13.33 H new ATOM 0 HE ARG A 9 -11.264 -9.021 -10.128 1.00 2.54 H new ATOM 0 HH11 ARG A 9 -11.078 -7.089 -7.179 1.00 20.33 H new ATOM 0 HH12 ARG A 9 -10.240 -8.350 -6.268 1.00 20.33 H new ATOM 0 HH21 ARG A 9 -10.186 -10.635 -8.953 1.00 4.44 H new ATOM 0 HH22 ARG A 9 -9.736 -10.350 -7.269 1.00 4.44 H new ATOM 148 N ALA A 10 -15.953 -9.572 -12.346 1.00 40.24 N ATOM 149 CA ALA A 10 -16.916 -10.662 -12.440 1.00 53.34 C ATOM 150 C ALA A 10 -16.477 -11.857 -11.601 1.00 0.35 C ATOM 151 O ALA A 10 -15.336 -12.309 -11.696 1.00 33.32 O ATOM 152 CB ALA A 10 -17.105 -11.076 -13.892 1.00 51.52 C ATOM 0 H ALA A 10 -15.114 -9.701 -12.911 1.00 40.24 H new ATOM 0 HA ALA A 10 -17.869 -10.306 -12.048 1.00 53.34 H new ATOM 0 HB1 ALA A 10 -17.827 -11.891 -13.947 1.00 51.52 H new ATOM 0 HB2 ALA A 10 -17.472 -10.226 -14.468 1.00 51.52 H new ATOM 0 HB3 ALA A 10 -16.151 -11.408 -14.303 1.00 51.52 H new ATOM 158 N ARG A 11 -17.391 -12.364 -10.778 1.00 44.32 N ATOM 159 CA ARG A 11 -17.097 -13.505 -9.920 1.00 5.54 C ATOM 160 C ARG A 11 -17.894 -14.731 -10.355 1.00 3.44 C ATOM 161 O ARG A 11 -19.093 -14.828 -10.095 1.00 13.42 O ATOM 162 CB ARG A 11 -17.412 -13.169 -8.462 1.00 2.23 C ATOM 163 CG ARG A 11 -16.746 -11.893 -7.972 1.00 44.01 C ATOM 164 CD ARG A 11 -16.708 -11.831 -6.454 1.00 11.33 C ATOM 165 NE ARG A 11 -17.948 -11.298 -5.897 1.00 2.53 N ATOM 166 CZ ARG A 11 -18.275 -10.011 -5.932 1.00 14.33 C ATOM 167 NH1 ARG A 11 -17.458 -9.130 -6.494 1.00 52.23 N ATOM 168 NH2 ARG A 11 -19.422 -9.602 -5.404 1.00 4.21 N ATOM 0 H ARG A 11 -18.340 -12.002 -10.688 1.00 44.32 H new ATOM 0 HA ARG A 11 -16.035 -13.732 -10.011 1.00 5.54 H new ATOM 0 HB2 ARG A 11 -18.491 -13.073 -8.345 1.00 2.23 H new ATOM 0 HB3 ARG A 11 -17.096 -13.999 -7.830 1.00 2.23 H new ATOM 0 HG2 ARG A 11 -15.731 -11.837 -8.365 1.00 44.01 H new ATOM 0 HG3 ARG A 11 -17.285 -11.028 -8.359 1.00 44.01 H new ATOM 0 HD2 ARG A 11 -16.531 -12.830 -6.055 1.00 11.33 H new ATOM 0 HD3 ARG A 11 -15.871 -11.208 -6.137 1.00 11.33 H new ATOM 0 HE ARG A 11 -18.598 -11.949 -5.457 1.00 2.53 H new ATOM 0 HH11 ARG A 11 -16.576 -9.440 -6.901 1.00 52.23 H new ATOM 0 HH12 ARG A 11 -17.712 -8.142 -6.519 1.00 52.23 H new ATOM 0 HH21 ARG A 11 -20.053 -10.276 -4.971 1.00 4.21 H new ATOM 0 HH22 ARG A 11 -19.672 -8.614 -5.431 1.00 4.21 H new ATOM 182 N ILE A 12 -17.218 -15.664 -11.017 1.00 34.32 N ATOM 183 CA ILE A 12 -17.864 -16.884 -11.486 1.00 61.52 C ATOM 184 C ILE A 12 -17.561 -18.058 -10.562 1.00 21.13 C ATOM 185 O ILE A 12 -16.418 -18.261 -10.154 1.00 21.05 O ATOM 186 CB ILE A 12 -17.417 -17.243 -12.916 1.00 21.10 C ATOM 187 CG1 ILE A 12 -17.742 -16.099 -13.878 1.00 4.31 C ATOM 188 CG2 ILE A 12 -18.086 -18.531 -13.373 1.00 24.44 C ATOM 189 CD1 ILE A 12 -16.960 -16.157 -15.171 1.00 55.14 C ATOM 0 H ILE A 12 -16.225 -15.599 -11.240 1.00 34.32 H new ATOM 0 HA ILE A 12 -18.937 -16.692 -11.486 1.00 61.52 H new ATOM 0 HB ILE A 12 -16.338 -17.397 -12.915 1.00 21.10 H new ATOM 0 HG12 ILE A 12 -18.808 -16.118 -14.106 1.00 4.31 H new ATOM 0 HG13 ILE A 12 -17.539 -15.150 -13.382 1.00 4.31 H new ATOM 0 HG21 ILE A 12 -17.760 -18.771 -14.385 1.00 24.44 H new ATOM 0 HG22 ILE A 12 -17.810 -19.343 -12.700 1.00 24.44 H new ATOM 0 HG23 ILE A 12 -19.168 -18.403 -13.361 1.00 24.44 H new ATOM 0 HD11 ILE A 12 -17.241 -15.316 -15.804 1.00 55.14 H new ATOM 0 HD12 ILE A 12 -15.893 -16.107 -14.954 1.00 55.14 H new ATOM 0 HD13 ILE A 12 -17.181 -17.091 -15.688 1.00 55.14 H new ATOM 201 N TYR A 13 -18.593 -18.829 -10.235 1.00 42.44 N ATOM 202 CA TYR A 13 -18.438 -19.982 -9.357 1.00 32.11 C ATOM 203 C TYR A 13 -19.226 -21.177 -9.885 1.00 23.21 C ATOM 204 O TYR A 13 -20.392 -21.052 -10.259 1.00 3.35 O ATOM 205 CB TYR A 13 -18.900 -19.637 -7.941 1.00 31.22 C ATOM 206 CG TYR A 13 -18.971 -20.834 -7.019 1.00 1.01 C ATOM 207 CD1 TYR A 13 -17.874 -21.668 -6.847 1.00 31.43 C ATOM 208 CD2 TYR A 13 -20.135 -21.128 -6.319 1.00 43.03 C ATOM 209 CE1 TYR A 13 -17.935 -22.763 -6.006 1.00 32.04 C ATOM 210 CE2 TYR A 13 -20.204 -22.219 -5.475 1.00 20.43 C ATOM 211 CZ TYR A 13 -19.102 -23.034 -5.322 1.00 4.12 C ATOM 212 OH TYR A 13 -19.166 -24.123 -4.483 1.00 23.25 O ATOM 0 H TYR A 13 -19.546 -18.676 -10.565 1.00 42.44 H new ATOM 0 HA TYR A 13 -17.381 -20.249 -9.332 1.00 32.11 H new ATOM 0 HB2 TYR A 13 -18.219 -18.900 -7.515 1.00 31.22 H new ATOM 0 HB3 TYR A 13 -19.883 -19.170 -7.992 1.00 31.22 H new ATOM 0 HD1 TYR A 13 -16.958 -21.457 -7.379 1.00 31.43 H new ATOM 0 HD2 TYR A 13 -21.000 -20.493 -6.437 1.00 43.03 H new ATOM 0 HE1 TYR A 13 -17.074 -23.403 -5.885 1.00 32.04 H new ATOM 0 HE2 TYR A 13 -21.116 -22.433 -4.938 1.00 20.43 H new ATOM 0 HH TYR A 13 -20.057 -24.172 -4.077 1.00 23.25 H new ATOM 468 N TRP A 30 -24.259 -22.614 -12.982 1.00 62.13 N ATOM 469 CA TRP A 30 -23.177 -21.695 -12.650 1.00 4.53 C ATOM 470 C TRP A 30 -23.714 -20.456 -11.940 1.00 61.12 C ATOM 471 O TRP A 30 -24.891 -20.117 -12.066 1.00 44.31 O ATOM 472 CB TRP A 30 -22.421 -21.284 -13.914 1.00 52.45 C ATOM 473 CG TRP A 30 -21.458 -22.326 -14.396 1.00 34.32 C ATOM 474 CD1 TRP A 30 -21.745 -23.410 -15.175 1.00 33.43 C ATOM 475 CD2 TRP A 30 -20.053 -22.384 -14.126 1.00 40.22 C ATOM 476 NE1 TRP A 30 -20.603 -24.139 -15.407 1.00 2.21 N ATOM 477 CE2 TRP A 30 -19.551 -23.529 -14.775 1.00 54.15 C ATOM 478 CE3 TRP A 30 -19.169 -21.579 -13.403 1.00 52.34 C ATOM 479 CZ2 TRP A 30 -18.207 -23.888 -14.719 1.00 43.35 C ATOM 480 CZ3 TRP A 30 -17.836 -21.936 -13.349 1.00 2.52 C ATOM 481 CH2 TRP A 30 -17.364 -23.081 -14.004 1.00 13.31 C ATOM 0 HA TRP A 30 -22.492 -22.210 -11.977 1.00 4.53 H new ATOM 0 HB2 TRP A 30 -23.140 -21.070 -14.705 1.00 52.45 H new ATOM 0 HB3 TRP A 30 -21.877 -20.360 -13.719 1.00 52.45 H new ATOM 0 HD1 TRP A 30 -22.726 -23.658 -15.553 1.00 33.43 H new ATOM 0 HE1 TRP A 30 -20.548 -24.995 -15.960 1.00 2.21 H new ATOM 0 HE3 TRP A 30 -19.522 -20.693 -12.895 1.00 52.34 H new ATOM 0 HZ2 TRP A 30 -17.843 -24.772 -15.222 1.00 43.35 H new ATOM 0 HZ3 TRP A 30 -17.145 -21.321 -12.792 1.00 2.52 H new ATOM 0 HH2 TRP A 30 -16.315 -23.332 -13.944 1.00 13.31 H new ATOM 492 N LYS A 31 -22.845 -19.785 -11.192 1.00 41.13 N ATOM 493 CA LYS A 31 -23.231 -18.583 -10.462 1.00 11.30 C ATOM 494 C LYS A 31 -22.307 -17.418 -10.803 1.00 73.41 C ATOM 495 O LYS A 31 -21.091 -17.504 -10.625 1.00 34.20 O ATOM 496 CB LYS A 31 -23.203 -18.845 -8.955 1.00 70.21 C ATOM 497 CG LYS A 31 -24.036 -20.043 -8.531 1.00 2.12 C ATOM 498 CD LYS A 31 -24.468 -19.936 -7.077 1.00 45.54 C ATOM 499 CE LYS A 31 -24.880 -21.288 -6.517 1.00 53.20 C ATOM 500 NZ LYS A 31 -26.160 -21.766 -7.111 1.00 22.54 N ATOM 0 H LYS A 31 -21.868 -20.053 -11.075 1.00 41.13 H new ATOM 0 HA LYS A 31 -24.246 -18.318 -10.760 1.00 11.30 H new ATOM 0 HB2 LYS A 31 -22.171 -19.001 -8.641 1.00 70.21 H new ATOM 0 HB3 LYS A 31 -23.564 -17.959 -8.434 1.00 70.21 H new ATOM 0 HG2 LYS A 31 -24.917 -20.119 -9.169 1.00 2.12 H new ATOM 0 HG3 LYS A 31 -23.460 -20.957 -8.674 1.00 2.12 H new ATOM 0 HD2 LYS A 31 -23.650 -19.529 -6.482 1.00 45.54 H new ATOM 0 HD3 LYS A 31 -25.301 -19.238 -6.994 1.00 45.54 H new ATOM 0 HE2 LYS A 31 -24.094 -22.017 -6.713 1.00 53.20 H new ATOM 0 HE3 LYS A 31 -24.986 -21.216 -5.435 1.00 53.20 H new ATOM 0 HZ1 LYS A 31 -26.408 -22.691 -6.704 1.00 22.54 H new ATOM 0 HZ2 LYS A 31 -26.916 -21.083 -6.903 1.00 22.54 H new ATOM 0 HZ3 LYS A 31 -26.051 -21.859 -8.141 1.00 22.54 H new ATOM 514 N LEU A 32 -22.890 -16.330 -11.293 1.00 33.12 N ATOM 515 CA LEU A 32 -22.119 -15.147 -11.658 1.00 20.05 C ATOM 516 C LEU A 32 -22.515 -13.951 -10.796 1.00 61.34 C ATOM 517 O LEU A 32 -23.699 -13.660 -10.629 1.00 64.42 O ATOM 518 CB LEU A 32 -22.326 -14.814 -13.137 1.00 31.22 C ATOM 519 CG LEU A 32 -21.467 -13.680 -13.697 1.00 34.13 C ATOM 520 CD1 LEU A 32 -22.054 -12.329 -13.317 1.00 32.14 C ATOM 521 CD2 LEU A 32 -20.034 -13.800 -13.198 1.00 74.34 C ATOM 0 H LEU A 32 -23.895 -16.242 -11.447 1.00 33.12 H new ATOM 0 HA LEU A 32 -21.065 -15.364 -11.485 1.00 20.05 H new ATOM 0 HB2 LEU A 32 -22.131 -15.713 -13.722 1.00 31.22 H new ATOM 0 HB3 LEU A 32 -23.374 -14.557 -13.287 1.00 31.22 H new ATOM 0 HG LEU A 32 -21.460 -13.758 -14.784 1.00 34.13 H new ATOM 0 HD11 LEU A 32 -21.430 -11.534 -13.724 1.00 32.14 H new ATOM 0 HD12 LEU A 32 -23.062 -12.243 -13.723 1.00 32.14 H new ATOM 0 HD13 LEU A 32 -22.092 -12.241 -12.231 1.00 32.14 H new ATOM 0 HD21 LEU A 32 -19.437 -12.985 -13.607 1.00 74.34 H new ATOM 0 HD22 LEU A 32 -20.022 -13.748 -12.109 1.00 74.34 H new ATOM 0 HD23 LEU A 32 -19.615 -14.753 -13.520 1.00 74.34 H new ATOM 533 N GLU A 33 -21.515 -13.263 -10.255 1.00 14.32 N ATOM 534 CA GLU A 33 -21.760 -12.098 -9.411 1.00 51.21 C ATOM 535 C GLU A 33 -20.743 -10.997 -9.696 1.00 44.15 C ATOM 536 O GLU A 33 -19.550 -11.156 -9.435 1.00 63.11 O ATOM 537 CB GLU A 33 -21.705 -12.490 -7.934 1.00 25.21 C ATOM 538 CG GLU A 33 -22.292 -11.442 -7.003 1.00 63.24 C ATOM 539 CD GLU A 33 -22.302 -11.888 -5.554 1.00 43.42 C ATOM 540 OE1 GLU A 33 -22.512 -13.094 -5.306 1.00 41.32 O ATOM 541 OE2 GLU A 33 -22.099 -11.031 -4.668 1.00 74.32 O ATOM 0 H GLU A 33 -20.529 -13.491 -10.385 1.00 14.32 H new ATOM 0 HA GLU A 33 -22.755 -11.717 -9.641 1.00 51.21 H new ATOM 0 HB2 GLU A 33 -22.242 -13.428 -7.796 1.00 25.21 H new ATOM 0 HB3 GLU A 33 -20.668 -12.672 -7.654 1.00 25.21 H new ATOM 0 HG2 GLU A 33 -21.717 -10.520 -7.091 1.00 63.24 H new ATOM 0 HG3 GLU A 33 -23.311 -11.213 -7.316 1.00 63.24 H new ATOM 548 N PHE A 34 -21.223 -9.881 -10.234 1.00 1.35 N ATOM 549 CA PHE A 34 -20.355 -8.753 -10.555 1.00 15.02 C ATOM 550 C PHE A 34 -20.328 -7.744 -9.410 1.00 74.44 C ATOM 551 O PHE A 34 -21.311 -7.582 -8.688 1.00 72.35 O ATOM 552 CB PHE A 34 -20.828 -8.070 -11.841 1.00 4.20 C ATOM 553 CG PHE A 34 -22.229 -7.536 -11.755 1.00 54.23 C ATOM 554 CD1 PHE A 34 -22.470 -6.259 -11.275 1.00 55.21 C ATOM 555 CD2 PHE A 34 -23.306 -8.310 -12.156 1.00 72.31 C ATOM 556 CE1 PHE A 34 -23.758 -5.765 -11.195 1.00 75.42 C ATOM 557 CE2 PHE A 34 -24.597 -7.823 -12.080 1.00 4.44 C ATOM 558 CZ PHE A 34 -24.823 -6.548 -11.598 1.00 51.13 C ATOM 0 H PHE A 34 -22.207 -9.733 -10.457 1.00 1.35 H new ATOM 0 HA PHE A 34 -19.345 -9.134 -10.703 1.00 15.02 H new ATOM 0 HB2 PHE A 34 -20.149 -7.251 -12.079 1.00 4.20 H new ATOM 0 HB3 PHE A 34 -20.769 -8.782 -12.664 1.00 4.20 H new ATOM 0 HD1 PHE A 34 -21.641 -5.642 -10.960 1.00 55.21 H new ATOM 0 HD2 PHE A 34 -23.134 -9.307 -12.533 1.00 72.31 H new ATOM 0 HE1 PHE A 34 -23.932 -4.768 -10.818 1.00 75.42 H new ATOM 0 HE2 PHE A 34 -25.427 -8.437 -12.396 1.00 4.44 H new ATOM 0 HZ PHE A 34 -25.830 -6.164 -11.536 1.00 51.13 H new ATOM 568 N GLU A 35 -19.194 -7.069 -9.252 1.00 20.54 N ATOM 569 CA GLU A 35 -19.037 -6.077 -8.194 1.00 35.21 C ATOM 570 C GLU A 35 -20.092 -4.981 -8.316 1.00 24.52 C ATOM 571 O GLU A 35 -20.381 -4.480 -9.403 1.00 63.31 O ATOM 572 CB GLU A 35 -17.637 -5.462 -8.245 1.00 11.41 C ATOM 573 CG GLU A 35 -17.388 -4.427 -7.161 1.00 54.10 C ATOM 574 CD GLU A 35 -16.837 -5.038 -5.887 1.00 42.34 C ATOM 575 OE1 GLU A 35 -16.929 -6.273 -5.734 1.00 22.43 O ATOM 576 OE2 GLU A 35 -16.313 -4.279 -5.044 1.00 51.45 O ATOM 0 H GLU A 35 -18.371 -7.191 -9.842 1.00 20.54 H new ATOM 0 HA GLU A 35 -19.170 -6.580 -7.236 1.00 35.21 H new ATOM 0 HB2 GLU A 35 -16.897 -6.257 -8.154 1.00 11.41 H new ATOM 0 HB3 GLU A 35 -17.488 -4.998 -9.220 1.00 11.41 H new ATOM 0 HG2 GLU A 35 -16.688 -3.678 -7.533 1.00 54.10 H new ATOM 0 HG3 GLU A 35 -18.321 -3.909 -6.937 1.00 54.10 H new ATOM 946 N LEU A 60 -26.332 -13.106 -10.036 1.00 42.03 N ATOM 947 CA LEU A 60 -27.155 -13.879 -10.960 1.00 22.11 C ATOM 948 C LEU A 60 -26.573 -15.273 -11.172 1.00 24.53 C ATOM 949 O LEU A 60 -25.469 -15.572 -10.714 1.00 32.15 O ATOM 950 CB LEU A 60 -27.271 -13.153 -12.300 1.00 54.24 C ATOM 951 CG LEU A 60 -26.047 -13.229 -13.213 1.00 51.44 C ATOM 952 CD1 LEU A 60 -26.175 -14.393 -14.184 1.00 14.41 C ATOM 953 CD2 LEU A 60 -25.865 -11.921 -13.969 1.00 42.13 C ATOM 0 HA LEU A 60 -28.148 -13.983 -10.523 1.00 22.11 H new ATOM 0 HB2 LEU A 60 -28.127 -13.561 -12.838 1.00 54.24 H new ATOM 0 HB3 LEU A 60 -27.488 -12.103 -12.104 1.00 54.24 H new ATOM 0 HG LEU A 60 -25.166 -13.395 -12.593 1.00 51.44 H new ATOM 0 HD11 LEU A 60 -25.294 -14.430 -14.825 1.00 14.41 H new ATOM 0 HD12 LEU A 60 -26.257 -15.325 -13.625 1.00 14.41 H new ATOM 0 HD13 LEU A 60 -27.065 -14.258 -14.798 1.00 14.41 H new ATOM 0 HD21 LEU A 60 -24.989 -11.992 -14.614 1.00 42.13 H new ATOM 0 HD22 LEU A 60 -26.749 -11.726 -14.577 1.00 42.13 H new ATOM 0 HD23 LEU A 60 -25.727 -11.106 -13.258 1.00 42.13 H new ATOM 965 N SER A 61 -27.319 -16.121 -11.872 1.00 2.21 N ATOM 966 CA SER A 61 -26.877 -17.483 -12.144 1.00 74.34 C ATOM 967 C SER A 61 -26.950 -17.790 -13.637 1.00 51.10 C ATOM 968 O SER A 61 -27.816 -17.277 -14.347 1.00 1.43 O ATOM 969 CB SER A 61 -27.731 -18.484 -11.364 1.00 74.21 C ATOM 970 OG SER A 61 -27.404 -18.469 -9.985 1.00 41.01 O ATOM 0 H SER A 61 -28.233 -15.889 -12.261 1.00 2.21 H new ATOM 0 HA SER A 61 -25.839 -17.573 -11.822 1.00 74.34 H new ATOM 0 HB2 SER A 61 -28.786 -18.244 -11.493 1.00 74.21 H new ATOM 0 HB3 SER A 61 -27.580 -19.486 -11.766 1.00 74.21 H new ATOM 0 HG SER A 61 -27.965 -19.116 -9.509 1.00 41.01 H new ATOM 976 N PHE A 62 -26.036 -18.632 -14.107 1.00 23.11 N ATOM 977 CA PHE A 62 -25.995 -19.008 -15.515 1.00 72.11 C ATOM 978 C PHE A 62 -26.089 -20.522 -15.677 1.00 71.41 C ATOM 979 O PHE A 62 -25.927 -21.273 -14.715 1.00 72.21 O ATOM 980 CB PHE A 62 -24.708 -18.493 -16.165 1.00 31.24 C ATOM 981 CG PHE A 62 -24.799 -17.068 -16.630 1.00 12.22 C ATOM 982 CD1 PHE A 62 -25.734 -16.695 -17.582 1.00 42.34 C ATOM 983 CD2 PHE A 62 -23.952 -16.102 -16.113 1.00 52.41 C ATOM 984 CE1 PHE A 62 -25.819 -15.384 -18.013 1.00 23.24 C ATOM 985 CE2 PHE A 62 -24.034 -14.789 -16.538 1.00 63.12 C ATOM 986 CZ PHE A 62 -24.968 -14.429 -17.489 1.00 35.10 C ATOM 0 H PHE A 62 -25.314 -19.067 -13.533 1.00 23.11 H new ATOM 0 HA PHE A 62 -26.852 -18.553 -16.012 1.00 72.11 H new ATOM 0 HB2 PHE A 62 -23.889 -18.582 -15.451 1.00 31.24 H new ATOM 0 HB3 PHE A 62 -24.460 -19.129 -17.015 1.00 31.24 H new ATOM 0 HD1 PHE A 62 -26.404 -17.436 -17.992 1.00 42.34 H new ATOM 0 HD2 PHE A 62 -23.219 -16.378 -15.369 1.00 52.41 H new ATOM 0 HE1 PHE A 62 -26.550 -15.106 -18.758 1.00 23.24 H new ATOM 0 HE2 PHE A 62 -23.368 -14.045 -16.126 1.00 63.12 H new ATOM 0 HZ PHE A 62 -25.034 -13.404 -17.823 1.00 35.10 H new ATOM 996 N THR A 63 -26.354 -20.965 -16.903 1.00 45.41 N ATOM 997 CA THR A 63 -26.472 -22.388 -17.192 1.00 23.31 C ATOM 998 C THR A 63 -25.102 -23.021 -17.406 1.00 60.53 C ATOM 999 O THR A 63 -24.804 -24.084 -16.859 1.00 2.04 O ATOM 1000 CB THR A 63 -27.341 -22.637 -18.439 1.00 31.21 C ATOM 1001 OG1 THR A 63 -28.390 -21.665 -18.508 1.00 51.03 O ATOM 1002 CG2 THR A 63 -27.941 -24.036 -18.410 1.00 1.31 C ATOM 0 H THR A 63 -26.491 -20.358 -17.711 1.00 45.41 H new ATOM 0 HA THR A 63 -26.950 -22.848 -16.327 1.00 23.31 H new ATOM 0 HB THR A 63 -26.706 -22.549 -19.320 1.00 31.21 H new ATOM 0 HG1 THR A 63 -28.937 -21.830 -19.305 1.00 51.03 H new ATOM 0 HG21 THR A 63 -28.551 -24.189 -19.301 1.00 1.31 H new ATOM 0 HG22 THR A 63 -27.140 -24.775 -18.387 1.00 1.31 H new ATOM 0 HG23 THR A 63 -28.562 -24.147 -17.521 1.00 1.31 H new ATOM 1010 N THR A 64 -24.269 -22.364 -18.207 1.00 12.51 N ATOM 1011 CA THR A 64 -22.930 -22.862 -18.495 1.00 35.42 C ATOM 1012 C THR A 64 -21.893 -21.753 -18.373 1.00 42.33 C ATOM 1013 O THR A 64 -22.224 -20.569 -18.449 1.00 43.15 O ATOM 1014 CB THR A 64 -22.850 -23.473 -19.906 1.00 3.01 C ATOM 1015 OG1 THR A 64 -23.052 -22.455 -20.892 1.00 74.13 O ATOM 1016 CG2 THR A 64 -23.889 -24.570 -20.082 1.00 32.40 C ATOM 0 H THR A 64 -24.499 -21.484 -18.669 1.00 12.51 H new ATOM 0 HA THR A 64 -22.716 -23.637 -17.759 1.00 35.42 H new ATOM 0 HB THR A 64 -21.860 -23.910 -20.033 1.00 3.01 H new ATOM 0 HG1 THR A 64 -22.998 -22.851 -21.787 1.00 74.13 H new ATOM 0 HG21 THR A 64 -23.812 -24.986 -21.087 1.00 32.40 H new ATOM 0 HG22 THR A 64 -23.714 -25.358 -19.349 1.00 32.40 H new ATOM 0 HG23 THR A 64 -24.886 -24.154 -19.937 1.00 32.40 H new ATOM 1024 N ARG A 65 -20.636 -22.142 -18.184 1.00 63.30 N ATOM 1025 CA ARG A 65 -19.549 -21.179 -18.052 1.00 53.21 C ATOM 1026 C ARG A 65 -19.463 -20.284 -19.284 1.00 51.01 C ATOM 1027 O ARG A 65 -19.245 -19.079 -19.173 1.00 1.52 O ATOM 1028 CB ARG A 65 -18.220 -21.905 -17.842 1.00 24.34 C ATOM 1029 CG ARG A 65 -17.897 -22.913 -18.932 1.00 4.21 C ATOM 1030 CD ARG A 65 -16.912 -22.345 -19.942 1.00 1.23 C ATOM 1031 NE ARG A 65 -15.957 -23.350 -20.401 1.00 13.05 N ATOM 1032 CZ ARG A 65 -16.262 -24.312 -21.264 1.00 64.33 C ATOM 1033 NH1 ARG A 65 -17.488 -24.399 -21.760 1.00 34.31 N ATOM 1034 NH2 ARG A 65 -15.337 -25.190 -21.634 1.00 12.30 N ATOM 0 H ARG A 65 -20.345 -23.118 -18.119 1.00 63.30 H new ATOM 0 HA ARG A 65 -19.755 -20.553 -17.184 1.00 53.21 H new ATOM 0 HB2 ARG A 65 -17.418 -21.169 -17.791 1.00 24.34 H new ATOM 0 HB3 ARG A 65 -18.244 -22.418 -16.880 1.00 24.34 H new ATOM 0 HG2 ARG A 65 -17.480 -23.815 -18.483 1.00 4.21 H new ATOM 0 HG3 ARG A 65 -18.815 -23.206 -19.442 1.00 4.21 H new ATOM 0 HD2 ARG A 65 -17.459 -21.947 -20.797 1.00 1.23 H new ATOM 0 HD3 ARG A 65 -16.373 -21.511 -19.493 1.00 1.23 H new ATOM 0 HE ARG A 65 -15.004 -23.311 -20.039 1.00 13.05 H new ATOM 0 HH11 ARG A 65 -18.201 -23.726 -21.479 1.00 34.31 H new ATOM 0 HH12 ARG A 65 -17.719 -25.139 -22.423 1.00 34.31 H new ATOM 0 HH21 ARG A 65 -14.392 -25.125 -21.255 1.00 12.30 H new ATOM 0 HH22 ARG A 65 -15.571 -25.929 -22.297 1.00 12.30 H new ATOM 1048 N GLU A 66 -19.634 -20.884 -20.459 1.00 13.03 N ATOM 1049 CA GLU A 66 -19.574 -20.141 -21.711 1.00 43.41 C ATOM 1050 C GLU A 66 -20.494 -18.924 -21.667 1.00 41.40 C ATOM 1051 O GLU A 66 -20.224 -17.904 -22.302 1.00 4.51 O ATOM 1052 CB GLU A 66 -19.960 -21.043 -22.885 1.00 11.21 C ATOM 1053 CG GLU A 66 -18.781 -21.776 -23.504 1.00 14.50 C ATOM 1054 CD GLU A 66 -19.165 -23.134 -24.057 1.00 65.14 C ATOM 1055 OE1 GLU A 66 -19.778 -23.926 -23.312 1.00 11.14 O ATOM 1056 OE2 GLU A 66 -18.851 -23.406 -25.235 1.00 64.13 O ATOM 0 H GLU A 66 -19.815 -21.882 -20.569 1.00 13.03 H new ATOM 0 HA GLU A 66 -18.549 -19.796 -21.849 1.00 43.41 H new ATOM 0 HB2 GLU A 66 -20.693 -21.774 -22.545 1.00 11.21 H new ATOM 0 HB3 GLU A 66 -20.445 -20.439 -23.652 1.00 11.21 H new ATOM 0 HG2 GLU A 66 -18.359 -21.168 -24.304 1.00 14.50 H new ATOM 0 HG3 GLU A 66 -18.001 -21.901 -22.753 1.00 14.50 H new ATOM 1063 N LEU A 67 -21.581 -19.039 -20.914 1.00 33.41 N ATOM 1064 CA LEU A 67 -22.543 -17.950 -20.785 1.00 54.32 C ATOM 1065 C LEU A 67 -22.037 -16.889 -19.813 1.00 40.10 C ATOM 1066 O LEU A 67 -22.206 -15.691 -20.042 1.00 61.05 O ATOM 1067 CB LEU A 67 -23.894 -18.488 -20.313 1.00 75.11 C ATOM 1068 CG LEU A 67 -24.902 -18.829 -21.411 1.00 14.42 C ATOM 1069 CD1 LEU A 67 -26.088 -19.584 -20.831 1.00 71.45 C ATOM 1070 CD2 LEU A 67 -25.368 -17.564 -22.118 1.00 63.24 C ATOM 0 H LEU A 67 -21.819 -19.876 -20.382 1.00 33.41 H new ATOM 0 HA LEU A 67 -22.666 -17.490 -21.765 1.00 54.32 H new ATOM 0 HB2 LEU A 67 -23.718 -19.384 -19.718 1.00 75.11 H new ATOM 0 HB3 LEU A 67 -24.345 -17.749 -19.650 1.00 75.11 H new ATOM 0 HG LEU A 67 -24.411 -19.471 -22.142 1.00 14.42 H new ATOM 0 HD11 LEU A 67 -26.795 -19.818 -21.627 1.00 71.45 H new ATOM 0 HD12 LEU A 67 -25.741 -20.509 -20.371 1.00 71.45 H new ATOM 0 HD13 LEU A 67 -26.580 -18.967 -20.079 1.00 71.45 H new ATOM 0 HD21 LEU A 67 -26.085 -17.825 -22.896 1.00 63.24 H new ATOM 0 HD22 LEU A 67 -25.842 -16.898 -21.397 1.00 63.24 H new ATOM 0 HD23 LEU A 67 -24.511 -17.062 -22.568 1.00 63.24 H new ATOM 1082 N ALA A 68 -21.415 -17.337 -18.727 1.00 54.01 N ATOM 1083 CA ALA A 68 -20.882 -16.427 -17.723 1.00 3.21 C ATOM 1084 C ALA A 68 -19.743 -15.586 -18.293 1.00 25.45 C ATOM 1085 O ALA A 68 -19.863 -14.367 -18.420 1.00 65.41 O ATOM 1086 CB ALA A 68 -20.407 -17.204 -16.504 1.00 62.21 C ATOM 0 H ALA A 68 -21.268 -18.325 -18.521 1.00 54.01 H new ATOM 0 HA ALA A 68 -21.682 -15.751 -17.420 1.00 3.21 H new ATOM 0 HB1 ALA A 68 -20.011 -16.511 -15.762 1.00 62.21 H new ATOM 0 HB2 ALA A 68 -21.244 -17.755 -16.075 1.00 62.21 H new ATOM 0 HB3 ALA A 68 -19.625 -17.903 -16.800 1.00 62.21 H new ATOM 1092 N ILE A 69 -18.641 -16.246 -18.632 1.00 2.31 N ATOM 1093 CA ILE A 69 -17.482 -15.559 -19.188 1.00 43.13 C ATOM 1094 C ILE A 69 -17.879 -14.676 -20.367 1.00 63.33 C ATOM 1095 O ILE A 69 -17.310 -13.605 -20.573 1.00 70.00 O ATOM 1096 CB ILE A 69 -16.403 -16.557 -19.649 1.00 5.11 C ATOM 1097 CG1 ILE A 69 -15.919 -17.399 -18.466 1.00 51.14 C ATOM 1098 CG2 ILE A 69 -15.239 -15.819 -20.292 1.00 64.44 C ATOM 1099 CD1 ILE A 69 -16.446 -18.818 -18.480 1.00 11.34 C ATOM 0 H ILE A 69 -18.526 -17.255 -18.532 1.00 2.31 H new ATOM 0 HA ILE A 69 -17.073 -14.936 -18.392 1.00 43.13 H new ATOM 0 HB ILE A 69 -16.839 -17.224 -20.392 1.00 5.11 H new ATOM 0 HG12 ILE A 69 -14.829 -17.424 -18.470 1.00 51.14 H new ATOM 0 HG13 ILE A 69 -16.223 -16.916 -17.538 1.00 51.14 H new ATOM 0 HG21 ILE A 69 -14.485 -16.538 -20.612 1.00 64.44 H new ATOM 0 HG22 ILE A 69 -15.596 -15.258 -21.156 1.00 64.44 H new ATOM 0 HG23 ILE A 69 -14.800 -15.131 -19.569 1.00 64.44 H new ATOM 0 HD11 ILE A 69 -16.063 -19.357 -17.613 1.00 11.34 H new ATOM 0 HD12 ILE A 69 -17.535 -18.802 -18.445 1.00 11.34 H new ATOM 0 HD13 ILE A 69 -16.120 -19.318 -19.392 1.00 11.34 H new ATOM 1111 N ALA A 70 -18.859 -15.135 -21.137 1.00 35.00 N ATOM 1112 CA ALA A 70 -19.336 -14.385 -22.293 1.00 32.20 C ATOM 1113 C ALA A 70 -19.705 -12.957 -21.908 1.00 51.33 C ATOM 1114 O ALA A 70 -19.408 -12.011 -22.638 1.00 3.22 O ATOM 1115 CB ALA A 70 -20.530 -15.089 -22.923 1.00 43.11 C ATOM 0 H ALA A 70 -19.338 -16.022 -20.982 1.00 35.00 H new ATOM 0 HA ALA A 70 -18.528 -14.339 -23.023 1.00 32.20 H new ATOM 0 HB1 ALA A 70 -20.876 -14.518 -23.785 1.00 43.11 H new ATOM 0 HB2 ALA A 70 -20.235 -16.088 -23.244 1.00 43.11 H new ATOM 0 HB3 ALA A 70 -21.335 -15.165 -22.192 1.00 43.11 H new ATOM 1121 N TYR A 71 -20.353 -12.808 -20.758 1.00 55.43 N ATOM 1122 CA TYR A 71 -20.765 -11.494 -20.278 1.00 52.51 C ATOM 1123 C TYR A 71 -19.552 -10.627 -19.954 1.00 72.54 C ATOM 1124 O TYR A 71 -19.425 -9.508 -20.448 1.00 43.14 O ATOM 1125 CB TYR A 71 -21.651 -11.635 -19.040 1.00 11.20 C ATOM 1126 CG TYR A 71 -22.104 -10.312 -18.465 1.00 3.34 C ATOM 1127 CD1 TYR A 71 -22.568 -9.296 -19.291 1.00 53.21 C ATOM 1128 CD2 TYR A 71 -22.066 -10.078 -17.096 1.00 14.33 C ATOM 1129 CE1 TYR A 71 -22.982 -8.085 -18.771 1.00 14.13 C ATOM 1130 CE2 TYR A 71 -22.480 -8.871 -16.567 1.00 51.42 C ATOM 1131 CZ TYR A 71 -22.936 -7.877 -17.408 1.00 72.41 C ATOM 1132 OH TYR A 71 -23.349 -6.673 -16.885 1.00 64.42 O ATOM 0 H TYR A 71 -20.604 -13.580 -20.141 1.00 55.43 H new ATOM 0 HA TYR A 71 -21.334 -11.008 -21.070 1.00 52.51 H new ATOM 0 HB2 TYR A 71 -22.528 -12.229 -19.297 1.00 11.20 H new ATOM 0 HB3 TYR A 71 -21.106 -12.187 -18.274 1.00 11.20 H new ATOM 0 HD1 TYR A 71 -22.606 -9.456 -20.358 1.00 53.21 H new ATOM 0 HD2 TYR A 71 -21.707 -10.853 -16.435 1.00 14.33 H new ATOM 0 HE1 TYR A 71 -23.340 -7.306 -19.428 1.00 14.13 H new ATOM 0 HE2 TYR A 71 -22.447 -8.706 -15.500 1.00 51.42 H new ATOM 0 HH TYR A 71 -23.254 -6.690 -15.910 1.00 64.42 H new ATOM 1142 N ALA A 72 -18.662 -11.156 -19.121 1.00 24.13 N ATOM 1143 CA ALA A 72 -17.457 -10.433 -18.731 1.00 64.41 C ATOM 1144 C ALA A 72 -16.645 -10.021 -19.955 1.00 31.54 C ATOM 1145 O ALA A 72 -16.340 -8.844 -20.142 1.00 24.42 O ATOM 1146 CB ALA A 72 -16.611 -11.284 -17.795 1.00 11.50 C ATOM 0 H ALA A 72 -18.752 -12.082 -18.703 1.00 24.13 H new ATOM 0 HA ALA A 72 -17.759 -9.527 -18.206 1.00 64.41 H new ATOM 0 HB1 ALA A 72 -15.715 -10.732 -17.512 1.00 11.50 H new ATOM 0 HB2 ALA A 72 -17.187 -11.524 -16.901 1.00 11.50 H new ATOM 0 HB3 ALA A 72 -16.325 -12.206 -18.301 1.00 11.50 H new ATOM 1152 N VAL A 73 -16.296 -10.999 -20.784 1.00 75.34 N ATOM 1153 CA VAL A 73 -15.519 -10.738 -21.990 1.00 31.34 C ATOM 1154 C VAL A 73 -16.161 -9.641 -22.831 1.00 71.30 C ATOM 1155 O VAL A 73 -15.470 -8.875 -23.503 1.00 21.35 O ATOM 1156 CB VAL A 73 -15.372 -12.008 -22.850 1.00 33.23 C ATOM 1157 CG1 VAL A 73 -14.586 -11.709 -24.116 1.00 4.42 C ATOM 1158 CG2 VAL A 73 -14.708 -13.119 -22.049 1.00 44.43 C ATOM 0 H VAL A 73 -16.539 -11.980 -20.643 1.00 75.34 H new ATOM 0 HA VAL A 73 -14.531 -10.412 -21.665 1.00 31.34 H new ATOM 0 HB VAL A 73 -16.367 -12.345 -23.141 1.00 33.23 H new ATOM 0 HG11 VAL A 73 -14.493 -12.618 -24.710 1.00 4.42 H new ATOM 0 HG12 VAL A 73 -15.107 -10.948 -24.697 1.00 4.42 H new ATOM 0 HG13 VAL A 73 -13.593 -11.346 -23.851 1.00 4.42 H new ATOM 0 HG21 VAL A 73 -14.612 -14.009 -22.671 1.00 44.43 H new ATOM 0 HG22 VAL A 73 -13.719 -12.794 -21.726 1.00 44.43 H new ATOM 0 HG23 VAL A 73 -15.317 -13.351 -21.175 1.00 44.43 H new ATOM 1168 N ALA A 74 -17.488 -9.570 -22.787 1.00 45.34 N ATOM 1169 CA ALA A 74 -18.223 -8.563 -23.544 1.00 32.55 C ATOM 1170 C ALA A 74 -17.677 -7.166 -23.274 1.00 5.02 C ATOM 1171 O ALA A 74 -17.675 -6.308 -24.157 1.00 72.22 O ATOM 1172 CB ALA A 74 -19.705 -8.627 -23.204 1.00 32.24 C ATOM 0 H ALA A 74 -18.075 -10.197 -22.236 1.00 45.34 H new ATOM 0 HA ALA A 74 -18.094 -8.776 -24.605 1.00 32.55 H new ATOM 0 HB1 ALA A 74 -20.242 -7.870 -23.776 1.00 32.24 H new ATOM 0 HB2 ALA A 74 -20.093 -9.614 -23.454 1.00 32.24 H new ATOM 0 HB3 ALA A 74 -19.842 -8.442 -22.139 1.00 32.24 H new ATOM 1178 N HIS A 75 -17.213 -6.942 -22.049 1.00 23.53 N ATOM 1179 CA HIS A 75 -16.663 -5.648 -21.663 1.00 1.13 C ATOM 1180 C HIS A 75 -15.238 -5.797 -21.140 1.00 3.04 C ATOM 1181 O HIS A 75 -14.758 -4.966 -20.367 1.00 21.30 O ATOM 1182 CB HIS A 75 -17.543 -4.993 -20.598 1.00 35.04 C ATOM 1183 CG HIS A 75 -18.791 -4.375 -21.150 1.00 14.22 C ATOM 1184 ND1 HIS A 75 -19.728 -5.085 -21.871 1.00 44.12 N ATOM 1185 CD2 HIS A 75 -19.256 -3.105 -21.080 1.00 63.05 C ATOM 1186 CE1 HIS A 75 -20.713 -4.278 -22.223 1.00 70.14 C ATOM 1187 NE2 HIS A 75 -20.451 -3.070 -21.755 1.00 74.44 N ATOM 0 H HIS A 75 -17.207 -7.641 -21.306 1.00 23.53 H new ATOM 0 HA HIS A 75 -16.642 -5.012 -22.548 1.00 1.13 H new ATOM 0 HB2 HIS A 75 -17.816 -5.741 -19.854 1.00 35.04 H new ATOM 0 HB3 HIS A 75 -16.965 -4.226 -20.082 1.00 35.04 H new ATOM 0 HD2 HIS A 75 -18.776 -2.274 -20.585 1.00 63.05 H new ATOM 0 HE1 HIS A 75 -21.585 -4.558 -22.796 1.00 70.14 H new ATOM 0 HE2 HIS A 75 -21.040 -2.246 -21.876 1.00 74.44 H new ATOM 1195 N LYS A 76 -14.565 -6.860 -21.566 1.00 21.45 N ATOM 1196 CA LYS A 76 -13.194 -7.119 -21.142 1.00 1.34 C ATOM 1197 C LYS A 76 -13.078 -7.077 -19.622 1.00 22.34 C ATOM 1198 O LYS A 76 -12.058 -6.650 -19.079 1.00 74.51 O ATOM 1199 CB LYS A 76 -12.244 -6.094 -21.764 1.00 44.22 C ATOM 1200 CG LYS A 76 -12.145 -6.197 -23.277 1.00 3.12 C ATOM 1201 CD LYS A 76 -11.784 -4.861 -23.904 1.00 64.13 C ATOM 1202 CE LYS A 76 -13.010 -3.982 -24.089 1.00 54.34 C ATOM 1203 NZ LYS A 76 -12.662 -2.660 -24.681 1.00 60.42 N ATOM 0 H LYS A 76 -14.947 -7.557 -22.205 1.00 21.45 H new ATOM 0 HA LYS A 76 -12.917 -8.116 -21.483 1.00 1.34 H new ATOM 0 HB2 LYS A 76 -12.579 -5.092 -21.497 1.00 44.22 H new ATOM 0 HB3 LYS A 76 -11.251 -6.223 -21.333 1.00 44.22 H new ATOM 0 HG2 LYS A 76 -11.393 -6.940 -23.544 1.00 3.12 H new ATOM 0 HG3 LYS A 76 -13.095 -6.545 -23.682 1.00 3.12 H new ATOM 0 HD2 LYS A 76 -11.058 -4.347 -23.274 1.00 64.13 H new ATOM 0 HD3 LYS A 76 -11.306 -5.028 -24.869 1.00 64.13 H new ATOM 0 HE2 LYS A 76 -13.727 -4.491 -24.733 1.00 54.34 H new ATOM 0 HE3 LYS A 76 -13.497 -3.831 -23.126 1.00 54.34 H new ATOM 0 HZ1 LYS A 76 -13.525 -2.091 -24.791 1.00 60.42 H new ATOM 0 HZ2 LYS A 76 -11.997 -2.163 -24.054 1.00 60.42 H new ATOM 0 HZ3 LYS A 76 -12.220 -2.802 -25.612 1.00 60.42 H new ATOM 1217 N ILE A 77 -14.127 -7.525 -18.940 1.00 24.21 N ATOM 1218 CA ILE A 77 -14.140 -7.541 -17.482 1.00 52.20 C ATOM 1219 C ILE A 77 -13.361 -8.734 -16.938 1.00 74.44 C ATOM 1220 O ILE A 77 -13.439 -9.837 -17.479 1.00 31.41 O ATOM 1221 CB ILE A 77 -15.578 -7.587 -16.933 1.00 23.24 C ATOM 1222 CG1 ILE A 77 -16.393 -6.411 -17.476 1.00 60.41 C ATOM 1223 CG2 ILE A 77 -15.564 -7.571 -15.411 1.00 60.11 C ATOM 1224 CD1 ILE A 77 -17.857 -6.467 -17.102 1.00 34.23 C ATOM 0 H ILE A 77 -14.979 -7.882 -19.373 1.00 24.21 H new ATOM 0 HA ILE A 77 -13.663 -6.618 -17.152 1.00 52.20 H new ATOM 0 HB ILE A 77 -16.048 -8.513 -17.263 1.00 23.24 H new ATOM 0 HG12 ILE A 77 -15.966 -5.480 -17.102 1.00 60.41 H new ATOM 0 HG13 ILE A 77 -16.304 -6.389 -18.562 1.00 60.41 H new ATOM 0 HG21 ILE A 77 -16.587 -7.604 -15.037 1.00 60.11 H new ATOM 0 HG22 ILE A 77 -15.015 -8.438 -15.043 1.00 60.11 H new ATOM 0 HG23 ILE A 77 -15.079 -6.660 -15.061 1.00 60.11 H new ATOM 0 HD11 ILE A 77 -18.373 -5.603 -17.520 1.00 34.23 H new ATOM 0 HD12 ILE A 77 -18.299 -7.381 -17.499 1.00 34.23 H new ATOM 0 HD13 ILE A 77 -17.956 -6.458 -16.017 1.00 34.23 H new ATOM 1236 N ASP A 78 -12.612 -8.506 -15.865 1.00 12.51 N ATOM 1237 CA ASP A 78 -11.821 -9.562 -15.246 1.00 61.02 C ATOM 1238 C ASP A 78 -12.719 -10.557 -14.517 1.00 71.20 C ATOM 1239 O ASP A 78 -13.222 -10.273 -13.430 1.00 33.34 O ATOM 1240 CB ASP A 78 -10.805 -8.963 -14.271 1.00 34.44 C ATOM 1241 CG ASP A 78 -9.764 -8.111 -14.970 1.00 32.42 C ATOM 1242 OD1 ASP A 78 -9.767 -8.077 -16.219 1.00 13.13 O ATOM 1243 OD2 ASP A 78 -8.948 -7.480 -14.269 1.00 4.41 O ATOM 0 H ASP A 78 -12.536 -7.598 -15.406 1.00 12.51 H new ATOM 0 HA ASP A 78 -11.287 -10.092 -16.035 1.00 61.02 H new ATOM 0 HB2 ASP A 78 -11.329 -8.357 -13.532 1.00 34.44 H new ATOM 0 HB3 ASP A 78 -10.308 -9.768 -13.729 1.00 34.44 H new ATOM 1248 N TYR A 79 -12.916 -11.722 -15.123 1.00 1.12 N ATOM 1249 CA TYR A 79 -13.757 -12.757 -14.534 1.00 71.31 C ATOM 1250 C TYR A 79 -12.908 -13.826 -13.852 1.00 65.01 C ATOM 1251 O TYR A 79 -11.926 -14.311 -14.416 1.00 41.12 O ATOM 1252 CB TYR A 79 -14.639 -13.399 -15.606 1.00 22.51 C ATOM 1253 CG TYR A 79 -13.858 -13.999 -16.753 1.00 50.33 C ATOM 1254 CD1 TYR A 79 -13.423 -15.317 -16.712 1.00 25.44 C ATOM 1255 CD2 TYR A 79 -13.556 -13.245 -17.882 1.00 21.11 C ATOM 1256 CE1 TYR A 79 -12.709 -15.867 -17.757 1.00 62.40 C ATOM 1257 CE2 TYR A 79 -12.843 -13.788 -18.933 1.00 55.44 C ATOM 1258 CZ TYR A 79 -12.422 -15.100 -18.866 1.00 40.23 C ATOM 1259 OH TYR A 79 -11.712 -15.645 -19.912 1.00 25.41 O ATOM 0 H TYR A 79 -12.505 -11.974 -16.022 1.00 1.12 H new ATOM 0 HA TYR A 79 -14.393 -12.288 -13.783 1.00 71.31 H new ATOM 0 HB2 TYR A 79 -15.248 -14.177 -15.146 1.00 22.51 H new ATOM 0 HB3 TYR A 79 -15.325 -12.648 -15.998 1.00 22.51 H new ATOM 0 HD1 TYR A 79 -13.648 -15.923 -15.847 1.00 25.44 H new ATOM 0 HD2 TYR A 79 -13.885 -12.218 -17.938 1.00 21.11 H new ATOM 0 HE1 TYR A 79 -12.377 -16.893 -17.706 1.00 62.40 H new ATOM 0 HE2 TYR A 79 -12.616 -13.189 -19.802 1.00 55.44 H new ATOM 0 HH TYR A 79 -11.596 -14.972 -20.615 1.00 25.41 H new ATOM 1269 N THR A 80 -13.293 -14.189 -12.632 1.00 24.40 N ATOM 1270 CA THR A 80 -12.568 -15.199 -11.871 1.00 63.24 C ATOM 1271 C THR A 80 -13.368 -16.492 -11.771 1.00 33.34 C ATOM 1272 O THR A 80 -14.554 -16.476 -11.438 1.00 11.43 O ATOM 1273 CB THR A 80 -12.236 -14.702 -10.451 1.00 34.31 C ATOM 1274 OG1 THR A 80 -11.542 -15.722 -9.725 1.00 63.22 O ATOM 1275 CG2 THR A 80 -13.503 -14.315 -9.705 1.00 0.14 C ATOM 0 H THR A 80 -14.103 -13.798 -12.150 1.00 24.40 H new ATOM 0 HA THR A 80 -11.639 -15.391 -12.407 1.00 63.24 H new ATOM 0 HB THR A 80 -11.600 -13.821 -10.537 1.00 34.31 H new ATOM 0 HG1 THR A 80 -11.333 -15.398 -8.824 1.00 63.22 H new ATOM 0 HG21 THR A 80 -13.244 -13.967 -8.705 1.00 0.14 H new ATOM 0 HG22 THR A 80 -14.014 -13.518 -10.245 1.00 0.14 H new ATOM 0 HG23 THR A 80 -14.160 -15.182 -9.629 1.00 0.14 H new ATOM 1283 N VAL A 81 -12.715 -17.612 -12.061 1.00 22.32 N ATOM 1284 CA VAL A 81 -13.366 -18.915 -12.001 1.00 23.41 C ATOM 1285 C VAL A 81 -13.127 -19.588 -10.653 1.00 52.34 C ATOM 1286 O VAL A 81 -11.985 -19.818 -10.256 1.00 71.41 O ATOM 1287 CB VAL A 81 -12.865 -19.845 -13.122 1.00 72.15 C ATOM 1288 CG1 VAL A 81 -13.338 -19.348 -14.480 1.00 4.54 C ATOM 1289 CG2 VAL A 81 -11.348 -19.956 -13.084 1.00 71.11 C ATOM 0 H VAL A 81 -11.734 -17.643 -12.340 1.00 22.32 H new ATOM 0 HA VAL A 81 -14.434 -18.741 -12.133 1.00 23.41 H new ATOM 0 HB VAL A 81 -13.283 -20.838 -12.960 1.00 72.15 H new ATOM 0 HG11 VAL A 81 -12.974 -20.018 -15.259 1.00 4.54 H new ATOM 0 HG12 VAL A 81 -14.428 -19.326 -14.500 1.00 4.54 H new ATOM 0 HG13 VAL A 81 -12.951 -18.344 -14.655 1.00 4.54 H new ATOM 0 HG21 VAL A 81 -11.011 -20.617 -13.883 1.00 71.11 H new ATOM 0 HG22 VAL A 81 -10.907 -18.968 -13.220 1.00 71.11 H new ATOM 0 HG23 VAL A 81 -11.037 -20.362 -12.122 1.00 71.11 H new ATOM 1299 N LEU A 82 -14.213 -19.901 -9.955 1.00 52.30 N ATOM 1300 CA LEU A 82 -14.123 -20.549 -8.651 1.00 30.33 C ATOM 1301 C LEU A 82 -14.575 -22.003 -8.732 1.00 51.05 C ATOM 1302 O LEU A 82 -15.707 -22.290 -9.121 1.00 55.40 O ATOM 1303 CB LEU A 82 -14.972 -19.796 -7.626 1.00 12.22 C ATOM 1304 CG LEU A 82 -14.497 -18.388 -7.264 1.00 65.00 C ATOM 1305 CD1 LEU A 82 -15.574 -17.642 -6.492 1.00 72.03 C ATOM 1306 CD2 LEU A 82 -13.208 -18.452 -6.457 1.00 63.41 C ATOM 0 H LEU A 82 -15.166 -19.717 -10.270 1.00 52.30 H new ATOM 0 HA LEU A 82 -13.080 -20.530 -8.335 1.00 30.33 H new ATOM 0 HB2 LEU A 82 -15.990 -19.727 -8.008 1.00 12.22 H new ATOM 0 HB3 LEU A 82 -15.014 -20.389 -6.713 1.00 12.22 H new ATOM 0 HG LEU A 82 -14.299 -17.844 -8.187 1.00 65.00 H new ATOM 0 HD11 LEU A 82 -15.217 -16.642 -6.244 1.00 72.03 H new ATOM 0 HD12 LEU A 82 -16.473 -17.565 -7.104 1.00 72.03 H new ATOM 0 HD13 LEU A 82 -15.805 -18.183 -5.575 1.00 72.03 H new ATOM 0 HD21 LEU A 82 -12.884 -17.441 -6.208 1.00 63.41 H new ATOM 0 HD22 LEU A 82 -13.381 -19.014 -5.539 1.00 63.41 H new ATOM 0 HD23 LEU A 82 -12.435 -18.946 -7.045 1.00 63.41 H new