USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 295 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= -0.282 (180deg=-1.29!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0707 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= -0.0123 X(o=-0.012,f=-0.012) 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 -15.388 -6.279 -12.018 1.00 12.12 N ATOM 125 CA ARG A 9 -14.912 -7.649 -12.170 1.00 53.45 C ATOM 126 C ARG A 9 -16.068 -8.640 -12.073 1.00 73.42 C ATOM 127 O ARG A 9 -17.069 -8.378 -11.405 1.00 65.40 O ATOM 128 CB ARG A 9 -13.862 -7.969 -11.106 1.00 13.12 C ATOM 129 CG ARG A 9 -12.495 -7.372 -11.400 1.00 14.12 C ATOM 130 CD ARG A 9 -12.372 -5.963 -10.841 1.00 5.42 C ATOM 131 NE ARG A 9 -10.996 -5.642 -10.466 1.00 75.05 N ATOM 132 CZ ARG A 9 -10.669 -4.626 -9.675 1.00 43.14 C ATOM 133 NH1 ARG A 9 -11.611 -3.837 -9.179 1.00 3.14 N ATOM 134 NH2 ARG A 9 -9.395 -4.399 -9.380 1.00 41.43 N ATOM 0 HA ARG A 9 -14.458 -7.741 -13.157 1.00 53.45 H new ATOM 0 HB2 ARG A 9 -14.210 -7.600 -10.141 1.00 13.12 H new ATOM 0 HB3 ARG A 9 -13.765 -9.051 -11.017 1.00 13.12 H new ATOM 0 HG2 ARG A 9 -11.720 -8.005 -10.969 1.00 14.12 H new ATOM 0 HG3 ARG A 9 -12.329 -7.353 -12.477 1.00 14.12 H new ATOM 0 HD2 ARG A 9 -12.722 -5.246 -11.584 1.00 5.42 H new ATOM 0 HD3 ARG A 9 -13.019 -5.861 -9.970 1.00 5.42 H new ATOM 0 HE ARG A 9 -10.247 -6.230 -10.831 1.00 75.05 H new ATOM 0 HH11 ARG A 9 -12.591 -4.009 -9.404 1.00 3.14 H new ATOM 0 HH12 ARG A 9 -11.356 -3.058 -8.572 1.00 3.14 H new ATOM 0 HH21 ARG A 9 -8.668 -5.004 -9.761 1.00 41.43 H new ATOM 0 HH22 ARG A 9 -9.143 -3.619 -8.773 1.00 41.43 H new ATOM 148 N ALA A 10 -15.925 -9.778 -12.746 1.00 2.33 N ATOM 149 CA ALA A 10 -16.955 -10.808 -12.734 1.00 30.22 C ATOM 150 C ALA A 10 -16.575 -11.954 -11.802 1.00 72.11 C ATOM 151 O ALA A 10 -15.436 -12.421 -11.809 1.00 54.21 O ATOM 152 CB ALA A 10 -17.197 -11.329 -14.142 1.00 40.23 C ATOM 0 H ALA A 10 -15.105 -10.009 -13.306 1.00 2.33 H new ATOM 0 HA ALA A 10 -17.876 -10.361 -12.361 1.00 30.22 H new ATOM 0 HB1 ALA A 10 -17.969 -12.098 -14.118 1.00 40.23 H new ATOM 0 HB2 ALA A 10 -17.522 -10.509 -14.783 1.00 40.23 H new ATOM 0 HB3 ALA A 10 -16.274 -11.754 -14.536 1.00 40.23 H new ATOM 158 N ARG A 11 -17.537 -12.402 -11.001 1.00 3.34 N ATOM 159 CA ARG A 11 -17.301 -13.492 -10.062 1.00 33.52 C ATOM 160 C ARG A 11 -18.036 -14.756 -10.501 1.00 50.43 C ATOM 161 O ARG A 11 -19.250 -14.871 -10.329 1.00 51.02 O ATOM 162 CB ARG A 11 -17.753 -13.090 -8.657 1.00 43.10 C ATOM 163 CG ARG A 11 -17.144 -11.784 -8.173 1.00 0.23 C ATOM 164 CD ARG A 11 -17.666 -11.403 -6.795 1.00 61.44 C ATOM 165 NE ARG A 11 -16.777 -10.467 -6.113 1.00 11.30 N ATOM 166 CZ ARG A 11 -17.140 -9.740 -5.062 1.00 75.45 C ATOM 167 NH1 ARG A 11 -18.370 -9.843 -4.575 1.00 42.21 N ATOM 168 NH2 ARG A 11 -16.275 -8.910 -4.495 1.00 51.02 N ATOM 0 H ARG A 11 -18.486 -12.027 -10.984 1.00 3.34 H new ATOM 0 HA ARG A 11 -16.231 -13.700 -10.047 1.00 33.52 H new ATOM 0 HB2 ARG A 11 -18.839 -13.001 -8.645 1.00 43.10 H new ATOM 0 HB3 ARG A 11 -17.491 -13.885 -7.959 1.00 43.10 H new ATOM 0 HG2 ARG A 11 -16.059 -11.878 -8.139 1.00 0.23 H new ATOM 0 HG3 ARG A 11 -17.373 -10.989 -8.883 1.00 0.23 H new ATOM 0 HD2 ARG A 11 -18.656 -10.957 -6.893 1.00 61.44 H new ATOM 0 HD3 ARG A 11 -17.780 -12.302 -6.189 1.00 61.44 H new ATOM 0 HE ARG A 11 -15.824 -10.366 -6.463 1.00 11.30 H new ATOM 0 HH11 ARG A 11 -19.038 -10.481 -5.008 1.00 42.21 H new ATOM 0 HH12 ARG A 11 -18.647 -9.284 -3.768 1.00 42.21 H new ATOM 0 HH21 ARG A 11 -15.328 -8.829 -4.866 1.00 51.02 H new ATOM 0 HH22 ARG A 11 -16.556 -8.353 -3.688 1.00 51.02 H new ATOM 182 N ILE A 12 -17.292 -15.700 -11.068 1.00 50.22 N ATOM 183 CA ILE A 12 -17.872 -16.953 -11.530 1.00 21.50 C ATOM 184 C ILE A 12 -17.594 -18.085 -10.546 1.00 71.44 C ATOM 185 O ILE A 12 -16.497 -18.187 -9.996 1.00 65.13 O ATOM 186 CB ILE A 12 -17.328 -17.349 -12.916 1.00 52.23 C ATOM 187 CG1 ILE A 12 -17.614 -16.244 -13.935 1.00 75.03 C ATOM 188 CG2 ILE A 12 -17.939 -18.666 -13.369 1.00 61.01 C ATOM 189 CD1 ILE A 12 -16.797 -16.363 -15.202 1.00 72.03 C ATOM 0 H ILE A 12 -16.286 -15.620 -11.218 1.00 50.22 H new ATOM 0 HA ILE A 12 -18.948 -16.793 -11.602 1.00 21.50 H new ATOM 0 HB ILE A 12 -16.248 -17.479 -12.842 1.00 52.23 H new ATOM 0 HG12 ILE A 12 -18.673 -16.264 -14.192 1.00 75.03 H new ATOM 0 HG13 ILE A 12 -17.416 -15.276 -13.474 1.00 75.03 H new ATOM 0 HG21 ILE A 12 -17.545 -18.932 -14.350 1.00 61.01 H new ATOM 0 HG22 ILE A 12 -17.689 -19.449 -12.653 1.00 61.01 H new ATOM 0 HG23 ILE A 12 -19.022 -18.563 -13.430 1.00 61.01 H new ATOM 0 HD11 ILE A 12 -17.052 -15.547 -15.878 1.00 72.03 H new ATOM 0 HD12 ILE A 12 -15.736 -16.313 -14.957 1.00 72.03 H new ATOM 0 HD13 ILE A 12 -17.013 -17.316 -15.686 1.00 72.03 H new ATOM 201 N TYR A 13 -18.594 -18.932 -10.329 1.00 13.20 N ATOM 202 CA TYR A 13 -18.457 -20.056 -9.411 1.00 12.31 C ATOM 203 C TYR A 13 -19.149 -21.298 -9.963 1.00 60.24 C ATOM 204 O TYR A 13 -20.307 -21.247 -10.376 1.00 61.22 O ATOM 205 CB TYR A 13 -19.043 -19.699 -8.044 1.00 2.44 C ATOM 206 CG TYR A 13 -19.144 -20.876 -7.101 1.00 34.14 C ATOM 207 CD1 TYR A 13 -18.110 -21.799 -6.996 1.00 52.30 C ATOM 208 CD2 TYR A 13 -20.275 -21.069 -6.316 1.00 42.51 C ATOM 209 CE1 TYR A 13 -18.199 -22.877 -6.137 1.00 42.24 C ATOM 210 CE2 TYR A 13 -20.372 -22.143 -5.454 1.00 2.35 C ATOM 211 CZ TYR A 13 -19.331 -23.045 -5.368 1.00 51.21 C ATOM 212 OH TYR A 13 -19.423 -24.117 -4.510 1.00 52.01 O ATOM 0 H TYR A 13 -19.508 -18.861 -10.776 1.00 13.20 H new ATOM 0 HA TYR A 13 -17.395 -20.273 -9.299 1.00 12.31 H new ATOM 0 HB2 TYR A 13 -18.425 -18.928 -7.584 1.00 2.44 H new ATOM 0 HB3 TYR A 13 -20.035 -19.271 -8.184 1.00 2.44 H new ATOM 0 HD1 TYR A 13 -17.222 -21.671 -7.597 1.00 52.30 H new ATOM 0 HD2 TYR A 13 -21.092 -20.366 -6.382 1.00 42.51 H new ATOM 0 HE1 TYR A 13 -17.386 -23.585 -6.068 1.00 42.24 H new ATOM 0 HE2 TYR A 13 -21.258 -22.277 -4.850 1.00 2.35 H new ATOM 0 HH TYR A 13 -20.283 -24.088 -4.042 1.00 52.01 H new ATOM 468 N TRP A 30 -24.373 -22.612 -13.354 1.00 2.52 N ATOM 469 CA TRP A 30 -23.229 -21.866 -12.839 1.00 32.12 C ATOM 470 C TRP A 30 -23.679 -20.567 -12.179 1.00 40.24 C ATOM 471 O TRP A 30 -24.782 -20.081 -12.431 1.00 14.50 O ATOM 472 CB TRP A 30 -22.241 -21.565 -13.966 1.00 70.12 C ATOM 473 CG TRP A 30 -21.368 -22.732 -14.318 1.00 32.31 C ATOM 474 CD1 TRP A 30 -21.754 -23.889 -14.933 1.00 43.44 C ATOM 475 CD2 TRP A 30 -19.963 -22.855 -14.072 1.00 41.24 C ATOM 476 NE1 TRP A 30 -20.673 -24.722 -15.085 1.00 23.42 N ATOM 477 CE2 TRP A 30 -19.562 -24.112 -14.566 1.00 53.44 C ATOM 478 CE3 TRP A 30 -19.004 -22.025 -13.485 1.00 65.04 C ATOM 479 CZ2 TRP A 30 -18.244 -24.557 -14.488 1.00 75.12 C ATOM 480 CZ3 TRP A 30 -17.697 -22.468 -13.409 1.00 21.12 C ATOM 481 CH2 TRP A 30 -17.327 -23.724 -13.908 1.00 44.22 C ATOM 0 HA TRP A 30 -22.734 -22.481 -12.087 1.00 32.12 H new ATOM 0 HB2 TRP A 30 -22.795 -21.255 -14.852 1.00 70.12 H new ATOM 0 HB3 TRP A 30 -21.612 -20.725 -13.673 1.00 70.12 H new ATOM 0 HD1 TRP A 30 -22.761 -24.115 -15.252 1.00 43.44 H new ATOM 0 HE1 TRP A 30 -20.694 -25.647 -15.515 1.00 23.42 H new ATOM 0 HE3 TRP A 30 -19.279 -21.055 -13.098 1.00 65.04 H new ATOM 0 HZ2 TRP A 30 -17.957 -25.525 -14.872 1.00 75.12 H new ATOM 0 HZ3 TRP A 30 -16.948 -21.835 -12.957 1.00 21.12 H new ATOM 0 HH2 TRP A 30 -16.297 -24.041 -13.833 1.00 44.22 H new ATOM 492 N LYS A 31 -22.818 -20.009 -11.336 1.00 13.35 N ATOM 493 CA LYS A 31 -23.126 -18.764 -10.641 1.00 44.31 C ATOM 494 C LYS A 31 -22.252 -17.624 -11.155 1.00 13.31 C ATOM 495 O LYS A 31 -21.066 -17.812 -11.428 1.00 53.42 O ATOM 496 CB LYS A 31 -22.925 -18.934 -9.134 1.00 32.15 C ATOM 497 CG LYS A 31 -23.614 -20.162 -8.563 1.00 23.23 C ATOM 498 CD LYS A 31 -24.001 -19.959 -7.108 1.00 33.35 C ATOM 499 CE LYS A 31 -25.344 -19.254 -6.982 1.00 23.43 C ATOM 500 NZ LYS A 31 -25.192 -17.774 -6.944 1.00 2.24 N ATOM 0 H LYS A 31 -21.901 -20.399 -11.117 1.00 13.35 H new ATOM 0 HA LYS A 31 -24.169 -18.516 -10.837 1.00 44.31 H new ATOM 0 HB2 LYS A 31 -21.857 -18.996 -8.923 1.00 32.15 H new ATOM 0 HB3 LYS A 31 -23.300 -18.047 -8.624 1.00 32.15 H new ATOM 0 HG2 LYS A 31 -24.505 -20.386 -9.149 1.00 23.23 H new ATOM 0 HG3 LYS A 31 -22.952 -21.024 -8.647 1.00 23.23 H new ATOM 0 HD2 LYS A 31 -24.047 -20.925 -6.604 1.00 33.35 H new ATOM 0 HD3 LYS A 31 -23.232 -19.373 -6.604 1.00 33.35 H new ATOM 0 HE2 LYS A 31 -25.980 -19.532 -7.822 1.00 23.43 H new ATOM 0 HE3 LYS A 31 -25.847 -19.591 -6.076 1.00 23.43 H new ATOM 0 HZ1 LYS A 31 -25.942 -17.363 -6.352 1.00 2.24 H new ATOM 0 HZ2 LYS A 31 -24.263 -17.531 -6.545 1.00 2.24 H new ATOM 0 HZ3 LYS A 31 -25.265 -17.393 -7.909 1.00 2.24 H new ATOM 514 N LEU A 32 -22.845 -16.441 -11.282 1.00 60.54 N ATOM 515 CA LEU A 32 -22.120 -15.270 -11.762 1.00 61.21 C ATOM 516 C LEU A 32 -22.521 -14.024 -10.979 1.00 73.03 C ATOM 517 O LEU A 32 -23.706 -13.720 -10.844 1.00 4.12 O ATOM 518 CB LEU A 32 -22.385 -15.058 -13.253 1.00 74.14 C ATOM 519 CG LEU A 32 -21.553 -13.970 -13.935 1.00 75.21 C ATOM 520 CD1 LEU A 32 -22.116 -12.592 -13.621 1.00 24.21 C ATOM 521 CD2 LEU A 32 -20.097 -14.065 -13.504 1.00 30.23 C ATOM 0 H LEU A 32 -23.825 -16.268 -11.059 1.00 60.54 H new ATOM 0 HA LEU A 32 -21.055 -15.444 -11.611 1.00 61.21 H new ATOM 0 HB2 LEU A 32 -22.208 -16.001 -13.771 1.00 74.14 H new ATOM 0 HB3 LEU A 32 -23.440 -14.816 -13.383 1.00 74.14 H new ATOM 0 HG LEU A 32 -21.603 -14.122 -15.013 1.00 75.21 H new ATOM 0 HD11 LEU A 32 -21.512 -11.831 -14.114 1.00 24.21 H new ATOM 0 HD12 LEU A 32 -23.143 -12.528 -13.980 1.00 24.21 H new ATOM 0 HD13 LEU A 32 -22.097 -12.428 -12.544 1.00 24.21 H new ATOM 0 HD21 LEU A 32 -19.519 -13.284 -13.998 1.00 30.23 H new ATOM 0 HD22 LEU A 32 -20.028 -13.938 -12.424 1.00 30.23 H new ATOM 0 HD23 LEU A 32 -19.699 -15.041 -13.781 1.00 30.23 H new ATOM 533 N GLU A 33 -21.526 -13.305 -10.470 1.00 1.15 N ATOM 534 CA GLU A 33 -21.776 -12.091 -9.703 1.00 30.22 C ATOM 535 C GLU A 33 -20.779 -10.997 -10.075 1.00 1.41 C ATOM 536 O GLU A 33 -19.602 -11.067 -9.719 1.00 53.23 O ATOM 537 CB GLU A 33 -21.693 -12.382 -8.203 1.00 31.22 C ATOM 538 CG GLU A 33 -22.427 -13.646 -7.787 1.00 34.14 C ATOM 539 CD GLU A 33 -22.561 -13.774 -6.282 1.00 1.30 C ATOM 540 OE1 GLU A 33 -21.936 -12.970 -5.559 1.00 61.32 O ATOM 541 OE2 GLU A 33 -23.291 -14.680 -5.827 1.00 32.33 O ATOM 0 H GLU A 33 -20.540 -13.542 -10.575 1.00 1.15 H new ATOM 0 HA GLU A 33 -22.780 -11.741 -9.943 1.00 30.22 H new ATOM 0 HB2 GLU A 33 -20.645 -12.469 -7.916 1.00 31.22 H new ATOM 0 HB3 GLU A 33 -22.105 -11.535 -7.654 1.00 31.22 H new ATOM 0 HG2 GLU A 33 -23.419 -13.651 -8.238 1.00 34.14 H new ATOM 0 HG3 GLU A 33 -21.896 -14.515 -8.176 1.00 34.14 H new ATOM 548 N PHE A 34 -21.259 -9.988 -10.794 1.00 41.43 N ATOM 549 CA PHE A 34 -20.410 -8.879 -11.217 1.00 74.14 C ATOM 550 C PHE A 34 -20.470 -7.734 -10.210 1.00 63.14 C ATOM 551 O PHE A 34 -21.537 -7.402 -9.696 1.00 52.23 O ATOM 552 CB PHE A 34 -20.838 -8.380 -12.599 1.00 61.45 C ATOM 553 CG PHE A 34 -22.144 -7.639 -12.592 1.00 12.33 C ATOM 554 CD1 PHE A 34 -23.347 -8.327 -12.610 1.00 63.23 C ATOM 555 CD2 PHE A 34 -22.170 -6.254 -12.564 1.00 22.51 C ATOM 556 CE1 PHE A 34 -24.550 -7.647 -12.604 1.00 63.32 C ATOM 557 CE2 PHE A 34 -23.370 -5.568 -12.558 1.00 65.41 C ATOM 558 CZ PHE A 34 -24.562 -6.267 -12.577 1.00 53.32 C ATOM 0 H PHE A 34 -22.230 -9.915 -11.096 1.00 41.43 H new ATOM 0 HA PHE A 34 -19.383 -9.240 -11.270 1.00 74.14 H new ATOM 0 HB2 PHE A 34 -20.061 -7.727 -12.997 1.00 61.45 H new ATOM 0 HB3 PHE A 34 -20.916 -9.231 -13.275 1.00 61.45 H new ATOM 0 HD1 PHE A 34 -23.344 -9.407 -12.629 1.00 63.23 H new ATOM 0 HD2 PHE A 34 -21.241 -5.703 -12.547 1.00 22.51 H new ATOM 0 HE1 PHE A 34 -25.480 -8.195 -12.620 1.00 63.32 H new ATOM 0 HE2 PHE A 34 -23.376 -4.488 -12.539 1.00 65.41 H new ATOM 0 HZ PHE A 34 -25.501 -5.734 -12.571 1.00 53.32 H new ATOM 568 N GLU A 35 -19.315 -7.137 -9.934 1.00 12.01 N ATOM 569 CA GLU A 35 -19.235 -6.030 -8.988 1.00 74.31 C ATOM 570 C GLU A 35 -20.073 -4.846 -9.463 1.00 21.33 C ATOM 571 O GLU A 35 -20.411 -4.725 -10.640 1.00 63.44 O ATOM 572 CB GLU A 35 -17.780 -5.596 -8.797 1.00 71.41 C ATOM 573 CG GLU A 35 -17.048 -6.378 -7.719 1.00 51.54 C ATOM 574 CD GLU A 35 -17.014 -5.648 -6.392 1.00 5.33 C ATOM 575 OE1 GLU A 35 -17.952 -5.832 -5.589 1.00 12.23 O ATOM 576 OE2 GLU A 35 -16.048 -4.892 -6.155 1.00 32.24 O ATOM 0 H GLU A 35 -18.423 -7.401 -10.352 1.00 12.01 H new ATOM 0 HA GLU A 35 -19.632 -6.373 -8.033 1.00 74.31 H new ATOM 0 HB2 GLU A 35 -17.248 -5.711 -9.742 1.00 71.41 H new ATOM 0 HB3 GLU A 35 -17.756 -4.536 -8.545 1.00 71.41 H new ATOM 0 HG2 GLU A 35 -17.532 -7.345 -7.585 1.00 51.54 H new ATOM 0 HG3 GLU A 35 -16.028 -6.575 -8.048 1.00 51.54 H new ATOM 946 N LEU A 60 -26.184 -13.144 -9.756 1.00 4.34 N ATOM 947 CA LEU A 60 -27.054 -13.808 -10.719 1.00 73.05 C ATOM 948 C LEU A 60 -26.533 -15.202 -11.053 1.00 74.04 C ATOM 949 O LEU A 60 -25.471 -15.609 -10.580 1.00 74.24 O ATOM 950 CB LEU A 60 -27.166 -12.973 -11.996 1.00 22.11 C ATOM 951 CG LEU A 60 -25.860 -12.721 -12.750 1.00 13.45 C ATOM 952 CD1 LEU A 60 -26.119 -12.606 -14.243 1.00 61.31 C ATOM 953 CD2 LEU A 60 -25.177 -11.466 -12.227 1.00 21.01 C ATOM 0 HA LEU A 60 -28.042 -13.908 -10.270 1.00 73.05 H new ATOM 0 HB2 LEU A 60 -27.862 -13.470 -12.672 1.00 22.11 H new ATOM 0 HB3 LEU A 60 -27.605 -12.009 -11.739 1.00 22.11 H new ATOM 0 HG LEU A 60 -25.196 -13.569 -12.582 1.00 13.45 H new ATOM 0 HD11 LEU A 60 -25.178 -12.427 -14.763 1.00 61.31 H new ATOM 0 HD12 LEU A 60 -26.564 -13.532 -14.607 1.00 61.31 H new ATOM 0 HD13 LEU A 60 -26.801 -11.777 -14.431 1.00 61.31 H new ATOM 0 HD21 LEU A 60 -24.249 -11.302 -12.775 1.00 21.01 H new ATOM 0 HD22 LEU A 60 -25.836 -10.609 -12.364 1.00 21.01 H new ATOM 0 HD23 LEU A 60 -24.956 -11.587 -11.167 1.00 21.01 H new ATOM 965 N SER A 61 -27.286 -15.929 -11.873 1.00 74.12 N ATOM 966 CA SER A 61 -26.901 -17.278 -12.269 1.00 71.53 C ATOM 967 C SER A 61 -26.951 -17.434 -13.786 1.00 41.54 C ATOM 968 O SER A 61 -27.616 -16.663 -14.480 1.00 31.55 O ATOM 969 CB SER A 61 -27.820 -18.308 -11.609 1.00 5.03 C ATOM 970 OG SER A 61 -27.974 -18.042 -10.226 1.00 43.42 O ATOM 0 H SER A 61 -28.166 -15.606 -12.276 1.00 74.12 H new ATOM 0 HA SER A 61 -25.877 -17.449 -11.937 1.00 71.53 H new ATOM 0 HB2 SER A 61 -28.795 -18.295 -12.096 1.00 5.03 H new ATOM 0 HB3 SER A 61 -27.409 -19.308 -11.747 1.00 5.03 H new ATOM 0 HG SER A 61 -28.567 -18.713 -9.828 1.00 43.42 H new ATOM 976 N PHE A 62 -26.243 -18.436 -14.296 1.00 1.14 N ATOM 977 CA PHE A 62 -26.206 -18.694 -15.730 1.00 44.11 C ATOM 978 C PHE A 62 -26.257 -20.192 -16.016 1.00 2.34 C ATOM 979 O PHE A 62 -25.891 -21.010 -15.171 1.00 32.00 O ATOM 980 CB PHE A 62 -24.941 -18.089 -16.346 1.00 40.20 C ATOM 981 CG PHE A 62 -25.121 -16.673 -16.812 1.00 45.04 C ATOM 982 CD1 PHE A 62 -25.876 -16.391 -17.939 1.00 71.05 C ATOM 983 CD2 PHE A 62 -24.533 -15.622 -16.125 1.00 21.42 C ATOM 984 CE1 PHE A 62 -26.044 -15.088 -18.371 1.00 21.43 C ATOM 985 CE2 PHE A 62 -24.697 -14.319 -16.552 1.00 60.22 C ATOM 986 CZ PHE A 62 -25.453 -14.051 -17.677 1.00 24.23 C ATOM 0 H PHE A 62 -25.687 -19.083 -13.737 1.00 1.14 H new ATOM 0 HA PHE A 62 -27.082 -18.226 -16.180 1.00 44.11 H new ATOM 0 HB2 PHE A 62 -24.137 -18.122 -15.611 1.00 40.20 H new ATOM 0 HB3 PHE A 62 -24.627 -18.704 -17.190 1.00 40.20 H new ATOM 0 HD1 PHE A 62 -26.339 -17.199 -18.487 1.00 71.05 H new ATOM 0 HD2 PHE A 62 -23.940 -15.825 -15.246 1.00 21.42 H new ATOM 0 HE1 PHE A 62 -26.637 -14.882 -19.250 1.00 21.43 H new ATOM 0 HE2 PHE A 62 -24.234 -13.510 -16.007 1.00 60.22 H new ATOM 0 HZ PHE A 62 -25.581 -13.033 -18.013 1.00 24.23 H new ATOM 996 N THR A 63 -26.713 -20.545 -17.214 1.00 14.44 N ATOM 997 CA THR A 63 -26.814 -21.943 -17.611 1.00 60.03 C ATOM 998 C THR A 63 -25.476 -22.657 -17.460 1.00 3.42 C ATOM 999 O THR A 63 -25.371 -23.661 -16.755 1.00 65.14 O ATOM 1000 CB THR A 63 -27.293 -22.080 -19.068 1.00 75.55 C ATOM 1001 OG1 THR A 63 -28.120 -20.964 -19.419 1.00 32.34 O ATOM 1002 CG2 THR A 63 -28.070 -23.373 -19.264 1.00 1.24 C ATOM 0 H THR A 63 -27.018 -19.881 -17.926 1.00 14.44 H new ATOM 0 HA THR A 63 -27.546 -22.406 -16.950 1.00 60.03 H new ATOM 0 HB THR A 63 -26.416 -22.100 -19.714 1.00 75.55 H new ATOM 0 HG1 THR A 63 -28.419 -21.058 -20.348 1.00 32.34 H new ATOM 0 HG21 THR A 63 -28.398 -23.447 -20.301 1.00 1.24 H new ATOM 0 HG22 THR A 63 -27.430 -24.222 -19.024 1.00 1.24 H new ATOM 0 HG23 THR A 63 -28.940 -23.378 -18.607 1.00 1.24 H new ATOM 1010 N THR A 64 -24.452 -22.130 -18.125 1.00 24.10 N ATOM 1011 CA THR A 64 -23.118 -22.717 -18.064 1.00 75.44 C ATOM 1012 C THR A 64 -22.054 -21.644 -17.864 1.00 52.34 C ATOM 1013 O THR A 64 -22.358 -20.451 -17.849 1.00 64.14 O ATOM 1014 CB THR A 64 -22.796 -23.512 -19.345 1.00 15.42 C ATOM 1015 OG1 THR A 64 -22.928 -22.665 -20.492 1.00 4.01 O ATOM 1016 CG2 THR A 64 -23.720 -24.712 -19.484 1.00 50.31 C ATOM 0 H THR A 64 -24.521 -21.298 -18.712 1.00 24.10 H new ATOM 0 HA THR A 64 -23.109 -23.396 -17.211 1.00 75.44 H new ATOM 0 HB THR A 64 -21.769 -23.872 -19.276 1.00 15.42 H new ATOM 0 HG1 THR A 64 -22.720 -23.176 -21.302 1.00 4.01 H new ATOM 0 HG21 THR A 64 -23.474 -25.257 -20.395 1.00 50.31 H new ATOM 0 HG22 THR A 64 -23.595 -25.369 -18.623 1.00 50.31 H new ATOM 0 HG23 THR A 64 -24.754 -24.371 -19.534 1.00 50.31 H new ATOM 1024 N ARG A 65 -20.806 -22.076 -17.712 1.00 33.12 N ATOM 1025 CA ARG A 65 -19.698 -21.152 -17.512 1.00 3.55 C ATOM 1026 C ARG A 65 -19.496 -20.270 -18.741 1.00 62.41 C ATOM 1027 O ARG A 65 -19.231 -19.074 -18.622 1.00 15.11 O ATOM 1028 CB ARG A 65 -18.412 -21.923 -17.208 1.00 10.53 C ATOM 1029 CG ARG A 65 -18.059 -22.960 -18.261 1.00 53.13 C ATOM 1030 CD ARG A 65 -16.946 -22.471 -19.174 1.00 40.44 C ATOM 1031 NE ARG A 65 -16.227 -23.576 -19.802 1.00 60.31 N ATOM 1032 CZ ARG A 65 -16.739 -24.332 -20.767 1.00 12.22 C ATOM 1033 NH1 ARG A 65 -17.966 -24.102 -21.213 1.00 52.03 N ATOM 1034 NH2 ARG A 65 -16.022 -25.319 -21.289 1.00 34.53 N ATOM 0 H ARG A 65 -20.538 -23.060 -17.724 1.00 33.12 H new ATOM 0 HA ARG A 65 -19.940 -20.513 -16.663 1.00 3.55 H new ATOM 0 HB2 ARG A 65 -17.588 -21.216 -17.116 1.00 10.53 H new ATOM 0 HB3 ARG A 65 -18.515 -22.419 -16.243 1.00 10.53 H new ATOM 0 HG2 ARG A 65 -17.751 -23.885 -17.773 1.00 53.13 H new ATOM 0 HG3 ARG A 65 -18.943 -23.192 -18.855 1.00 53.13 H new ATOM 0 HD2 ARG A 65 -17.367 -21.827 -19.946 1.00 40.44 H new ATOM 0 HD3 ARG A 65 -16.247 -21.864 -18.599 1.00 40.44 H new ATOM 0 HE ARG A 65 -15.280 -23.778 -19.482 1.00 60.31 H new ATOM 0 HH11 ARG A 65 -18.519 -23.343 -20.815 1.00 52.03 H new ATOM 0 HH12 ARG A 65 -18.357 -24.684 -21.954 1.00 52.03 H new ATOM 0 HH21 ARG A 65 -15.077 -25.498 -20.949 1.00 34.53 H new ATOM 0 HH22 ARG A 65 -16.416 -25.899 -22.030 1.00 34.53 H new ATOM 1048 N GLU A 66 -19.622 -20.870 -19.921 1.00 1.11 N ATOM 1049 CA GLU A 66 -19.452 -20.139 -21.171 1.00 63.21 C ATOM 1050 C GLU A 66 -20.324 -18.888 -21.192 1.00 50.13 C ATOM 1051 O GLU A 66 -19.974 -17.884 -21.814 1.00 44.24 O ATOM 1052 CB GLU A 66 -19.797 -21.036 -22.363 1.00 15.13 C ATOM 1053 CG GLU A 66 -18.987 -20.728 -23.611 1.00 33.44 C ATOM 1054 CD GLU A 66 -19.656 -21.227 -24.877 1.00 71.13 C ATOM 1055 OE1 GLU A 66 -20.356 -22.258 -24.811 1.00 23.43 O ATOM 1056 OE2 GLU A 66 -19.479 -20.585 -25.933 1.00 63.11 O ATOM 0 H GLU A 66 -19.841 -21.859 -20.037 1.00 1.11 H new ATOM 0 HA GLU A 66 -18.408 -19.834 -21.245 1.00 63.21 H new ATOM 0 HB2 GLU A 66 -19.635 -22.077 -22.083 1.00 15.13 H new ATOM 0 HB3 GLU A 66 -20.857 -20.929 -22.593 1.00 15.13 H new ATOM 0 HG2 GLU A 66 -18.835 -19.651 -23.685 1.00 33.44 H new ATOM 0 HG3 GLU A 66 -18.001 -21.184 -23.522 1.00 33.44 H new ATOM 1063 N LEU A 67 -21.461 -18.955 -20.510 1.00 14.43 N ATOM 1064 CA LEU A 67 -22.385 -17.827 -20.449 1.00 54.31 C ATOM 1065 C LEU A 67 -21.820 -16.706 -19.583 1.00 31.22 C ATOM 1066 O LEU A 67 -21.993 -15.526 -19.887 1.00 74.04 O ATOM 1067 CB LEU A 67 -23.739 -18.280 -19.899 1.00 24.05 C ATOM 1068 CG LEU A 67 -24.944 -18.054 -20.811 1.00 34.13 C ATOM 1069 CD1 LEU A 67 -25.000 -16.607 -21.273 1.00 40.25 C ATOM 1070 CD2 LEU A 67 -24.893 -18.997 -22.005 1.00 40.41 C ATOM 0 H LEU A 67 -21.766 -19.778 -19.991 1.00 14.43 H new ATOM 0 HA LEU A 67 -22.521 -17.445 -21.461 1.00 54.31 H new ATOM 0 HB2 LEU A 67 -23.677 -19.344 -19.669 1.00 24.05 H new ATOM 0 HB3 LEU A 67 -23.919 -17.760 -18.958 1.00 24.05 H new ATOM 0 HG LEU A 67 -25.850 -18.267 -20.244 1.00 34.13 H new ATOM 0 HD11 LEU A 67 -25.865 -16.465 -21.921 1.00 40.25 H new ATOM 0 HD12 LEU A 67 -25.085 -15.951 -20.406 1.00 40.25 H new ATOM 0 HD13 LEU A 67 -24.091 -16.365 -21.823 1.00 40.25 H new ATOM 0 HD21 LEU A 67 -25.759 -18.822 -22.644 1.00 40.41 H new ATOM 0 HD22 LEU A 67 -23.980 -18.816 -22.573 1.00 40.41 H new ATOM 0 HD23 LEU A 67 -24.903 -20.029 -21.654 1.00 40.41 H new ATOM 1082 N ALA A 68 -21.142 -17.083 -18.504 1.00 71.21 N ATOM 1083 CA ALA A 68 -20.548 -16.109 -17.597 1.00 23.34 C ATOM 1084 C ALA A 68 -19.377 -15.388 -18.255 1.00 54.12 C ATOM 1085 O ALA A 68 -19.395 -14.165 -18.405 1.00 62.42 O ATOM 1086 CB ALA A 68 -20.095 -16.792 -16.314 1.00 10.45 C ATOM 0 H ALA A 68 -20.991 -18.056 -18.237 1.00 71.21 H new ATOM 0 HA ALA A 68 -21.307 -15.366 -17.353 1.00 23.34 H new ATOM 0 HB1 ALA A 68 -19.653 -16.053 -15.645 1.00 10.45 H new ATOM 0 HB2 ALA A 68 -20.952 -17.256 -15.827 1.00 10.45 H new ATOM 0 HB3 ALA A 68 -19.355 -17.556 -16.550 1.00 10.45 H new ATOM 1092 N ILE A 69 -18.362 -16.151 -18.646 1.00 1.43 N ATOM 1093 CA ILE A 69 -17.183 -15.582 -19.289 1.00 61.51 C ATOM 1094 C ILE A 69 -17.570 -14.750 -20.507 1.00 2.03 C ATOM 1095 O ILE A 69 -16.938 -13.736 -20.805 1.00 35.14 O ATOM 1096 CB ILE A 69 -16.195 -16.681 -19.723 1.00 41.12 C ATOM 1097 CG1 ILE A 69 -15.746 -17.502 -18.512 1.00 41.35 C ATOM 1098 CG2 ILE A 69 -14.995 -16.064 -20.427 1.00 61.34 C ATOM 1099 CD1 ILE A 69 -16.337 -18.894 -18.474 1.00 10.54 C ATOM 0 H ILE A 69 -18.332 -17.164 -18.529 1.00 1.43 H new ATOM 0 HA ILE A 69 -16.699 -14.940 -18.553 1.00 61.51 H new ATOM 0 HB ILE A 69 -16.699 -17.348 -20.422 1.00 41.12 H new ATOM 0 HG12 ILE A 69 -14.659 -17.578 -18.517 1.00 41.35 H new ATOM 0 HG13 ILE A 69 -16.024 -16.973 -17.601 1.00 41.35 H new ATOM 0 HG21 ILE A 69 -14.305 -16.852 -20.728 1.00 61.34 H new ATOM 0 HG22 ILE A 69 -15.331 -15.519 -21.309 1.00 61.34 H new ATOM 0 HG23 ILE A 69 -14.488 -15.378 -19.748 1.00 61.34 H new ATOM 0 HD11 ILE A 69 -15.976 -19.419 -17.589 1.00 10.54 H new ATOM 0 HD12 ILE A 69 -17.424 -18.827 -18.437 1.00 10.54 H new ATOM 0 HD13 ILE A 69 -16.037 -19.441 -19.368 1.00 10.54 H new ATOM 1111 N ALA A 70 -18.611 -15.185 -21.208 1.00 34.44 N ATOM 1112 CA ALA A 70 -19.085 -14.479 -22.392 1.00 24.04 C ATOM 1113 C ALA A 70 -19.603 -13.091 -22.032 1.00 64.13 C ATOM 1114 O ALA A 70 -19.531 -12.162 -22.838 1.00 31.11 O ATOM 1115 CB ALA A 70 -20.170 -15.285 -23.090 1.00 24.23 C ATOM 0 H ALA A 70 -19.143 -16.024 -20.976 1.00 34.44 H new ATOM 0 HA ALA A 70 -18.243 -14.359 -23.074 1.00 24.04 H new ATOM 0 HB1 ALA A 70 -20.514 -14.745 -23.972 1.00 24.23 H new ATOM 0 HB2 ALA A 70 -19.768 -16.252 -23.391 1.00 24.23 H new ATOM 0 HB3 ALA A 70 -21.007 -15.436 -22.408 1.00 24.23 H new ATOM 1121 N TYR A 71 -20.126 -12.956 -20.818 1.00 40.44 N ATOM 1122 CA TYR A 71 -20.659 -11.682 -20.354 1.00 1.54 C ATOM 1123 C TYR A 71 -19.532 -10.724 -19.975 1.00 34.24 C ATOM 1124 O TYR A 71 -19.472 -9.595 -20.461 1.00 63.44 O ATOM 1125 CB TYR A 71 -21.583 -11.899 -19.154 1.00 70.03 C ATOM 1126 CG TYR A 71 -22.074 -10.613 -18.528 1.00 13.04 C ATOM 1127 CD1 TYR A 71 -22.503 -9.553 -19.316 1.00 52.41 C ATOM 1128 CD2 TYR A 71 -22.109 -10.458 -17.147 1.00 24.52 C ATOM 1129 CE1 TYR A 71 -22.953 -8.376 -18.748 1.00 2.03 C ATOM 1130 CE2 TYR A 71 -22.557 -9.286 -16.570 1.00 33.21 C ATOM 1131 CZ TYR A 71 -22.978 -8.248 -17.375 1.00 63.00 C ATOM 1132 OH TYR A 71 -23.423 -7.078 -16.804 1.00 75.33 O ATOM 0 H TYR A 71 -20.192 -13.714 -20.138 1.00 40.44 H new ATOM 0 HA TYR A 71 -21.230 -11.238 -21.169 1.00 1.54 H new ATOM 0 HB2 TYR A 71 -22.442 -12.491 -19.470 1.00 70.03 H new ATOM 0 HB3 TYR A 71 -21.054 -12.482 -18.400 1.00 70.03 H new ATOM 0 HD1 TYR A 71 -22.485 -9.650 -20.391 1.00 52.41 H new ATOM 0 HD2 TYR A 71 -21.780 -11.269 -16.514 1.00 24.52 H new ATOM 0 HE1 TYR A 71 -23.283 -7.561 -19.376 1.00 2.03 H new ATOM 0 HE2 TYR A 71 -22.578 -9.183 -15.495 1.00 33.21 H new ATOM 0 HH TYR A 71 -23.378 -7.152 -15.828 1.00 75.33 H new ATOM 1142 N ALA A 72 -18.641 -11.186 -19.103 1.00 73.02 N ATOM 1143 CA ALA A 72 -17.515 -10.374 -18.661 1.00 13.31 C ATOM 1144 C ALA A 72 -16.667 -9.919 -19.843 1.00 71.34 C ATOM 1145 O ALA A 72 -16.411 -8.727 -20.016 1.00 43.31 O ATOM 1146 CB ALA A 72 -16.664 -11.149 -17.666 1.00 54.00 C ATOM 0 H ALA A 72 -18.678 -12.118 -18.689 1.00 73.02 H new ATOM 0 HA ALA A 72 -17.911 -9.486 -18.170 1.00 13.31 H new ATOM 0 HB1 ALA A 72 -15.826 -10.530 -17.344 1.00 54.00 H new ATOM 0 HB2 ALA A 72 -17.270 -11.418 -16.801 1.00 54.00 H new ATOM 0 HB3 ALA A 72 -16.285 -12.055 -18.139 1.00 54.00 H new ATOM 1152 N VAL A 73 -16.234 -10.876 -20.657 1.00 21.41 N ATOM 1153 CA VAL A 73 -15.414 -10.575 -21.825 1.00 13.42 C ATOM 1154 C VAL A 73 -16.121 -9.593 -22.753 1.00 62.20 C ATOM 1155 O VAL A 73 -15.478 -8.799 -23.439 1.00 60.34 O ATOM 1156 CB VAL A 73 -15.069 -11.852 -22.614 1.00 5.00 C ATOM 1157 CG1 VAL A 73 -14.239 -11.513 -23.842 1.00 75.22 C ATOM 1158 CG2 VAL A 73 -14.337 -12.845 -21.723 1.00 61.24 C ATOM 0 H VAL A 73 -16.437 -11.867 -20.529 1.00 21.41 H new ATOM 0 HA VAL A 73 -14.492 -10.125 -21.457 1.00 13.42 H new ATOM 0 HB VAL A 73 -15.997 -12.314 -22.949 1.00 5.00 H new ATOM 0 HG11 VAL A 73 -14.005 -12.428 -24.387 1.00 75.22 H new ATOM 0 HG12 VAL A 73 -14.803 -10.840 -24.488 1.00 75.22 H new ATOM 0 HG13 VAL A 73 -13.313 -11.028 -23.533 1.00 75.22 H new ATOM 0 HG21 VAL A 73 -14.100 -13.742 -22.295 1.00 61.24 H new ATOM 0 HG22 VAL A 73 -13.415 -12.394 -21.357 1.00 61.24 H new ATOM 0 HG23 VAL A 73 -14.971 -13.111 -20.877 1.00 61.24 H new ATOM 1168 N ALA A 74 -17.448 -9.652 -22.768 1.00 75.52 N ATOM 1169 CA ALA A 74 -18.244 -8.767 -23.610 1.00 43.52 C ATOM 1170 C ALA A 74 -17.854 -7.308 -23.394 1.00 22.22 C ATOM 1171 O ALA A 74 -17.953 -6.487 -24.307 1.00 33.34 O ATOM 1172 CB ALA A 74 -19.727 -8.966 -23.332 1.00 44.11 C ATOM 0 H ALA A 74 -17.995 -10.304 -22.206 1.00 75.52 H new ATOM 0 HA ALA A 74 -18.044 -9.019 -24.651 1.00 43.52 H new ATOM 0 HB1 ALA A 74 -20.309 -8.299 -23.968 1.00 44.11 H new ATOM 0 HB2 ALA A 74 -20.001 -10.000 -23.543 1.00 44.11 H new ATOM 0 HB3 ALA A 74 -19.934 -8.742 -22.286 1.00 44.11 H new ATOM 1178 N HIS A 75 -17.411 -6.992 -22.181 1.00 61.14 N ATOM 1179 CA HIS A 75 -17.006 -5.631 -21.846 1.00 22.41 C ATOM 1180 C HIS A 75 -15.589 -5.610 -21.280 1.00 75.54 C ATOM 1181 O HIS A 75 -15.230 -4.718 -20.512 1.00 12.32 O ATOM 1182 CB HIS A 75 -17.981 -5.021 -20.838 1.00 23.34 C ATOM 1183 CG HIS A 75 -18.018 -3.525 -20.872 1.00 50.33 C ATOM 1184 ND1 HIS A 75 -18.577 -2.809 -21.911 1.00 72.12 N ATOM 1185 CD2 HIS A 75 -17.563 -2.606 -19.987 1.00 64.34 C ATOM 1186 CE1 HIS A 75 -18.462 -1.516 -21.663 1.00 73.45 C ATOM 1187 NE2 HIS A 75 -17.852 -1.367 -20.502 1.00 11.41 N ATOM 0 H HIS A 75 -17.323 -7.659 -21.414 1.00 61.14 H new ATOM 0 HA HIS A 75 -17.021 -5.037 -22.760 1.00 22.41 H new ATOM 0 HB2 HIS A 75 -18.982 -5.406 -21.034 1.00 23.34 H new ATOM 0 HB3 HIS A 75 -17.705 -5.347 -19.835 1.00 23.34 H new ATOM 0 HD2 HIS A 75 -17.065 -2.810 -19.050 1.00 64.34 H new ATOM 0 HE1 HIS A 75 -18.808 -0.717 -22.302 1.00 73.45 H new ATOM 0 HE2 HIS A 75 -17.631 -0.475 -20.059 1.00 11.41 H new ATOM 1195 N LYS A 76 -14.790 -6.599 -21.663 1.00 65.33 N ATOM 1196 CA LYS A 76 -13.412 -6.694 -21.195 1.00 60.42 C ATOM 1197 C LYS A 76 -13.349 -6.635 -19.673 1.00 14.53 C ATOM 1198 O LYS A 76 -12.625 -5.818 -19.104 1.00 12.24 O ATOM 1199 CB LYS A 76 -12.568 -5.567 -21.795 1.00 12.00 C ATOM 1200 CG LYS A 76 -12.122 -5.834 -23.223 1.00 33.54 C ATOM 1201 CD LYS A 76 -13.136 -5.318 -24.230 1.00 34.34 C ATOM 1202 CE LYS A 76 -12.914 -3.847 -24.540 1.00 50.52 C ATOM 1203 NZ LYS A 76 -11.833 -3.649 -25.544 1.00 43.21 N ATOM 0 H LYS A 76 -15.073 -7.347 -22.297 1.00 65.33 H new ATOM 0 HA LYS A 76 -13.010 -7.653 -21.521 1.00 60.42 H new ATOM 0 HB2 LYS A 76 -13.143 -4.641 -21.770 1.00 12.00 H new ATOM 0 HB3 LYS A 76 -11.688 -5.412 -21.171 1.00 12.00 H new ATOM 0 HG2 LYS A 76 -11.158 -5.357 -23.399 1.00 33.54 H new ATOM 0 HG3 LYS A 76 -11.979 -6.905 -23.366 1.00 33.54 H new ATOM 0 HD2 LYS A 76 -13.066 -5.899 -25.149 1.00 34.34 H new ATOM 0 HD3 LYS A 76 -14.143 -5.461 -23.839 1.00 34.34 H new ATOM 0 HE2 LYS A 76 -13.841 -3.411 -24.913 1.00 50.52 H new ATOM 0 HE3 LYS A 76 -12.659 -3.317 -23.622 1.00 50.52 H new ATOM 0 HZ1 LYS A 76 -11.712 -2.633 -25.728 1.00 43.21 H new ATOM 0 HZ2 LYS A 76 -10.943 -4.043 -25.178 1.00 43.21 H new ATOM 0 HZ3 LYS A 76 -12.088 -4.133 -26.428 1.00 43.21 H new ATOM 1217 N ILE A 77 -14.112 -7.504 -19.018 1.00 62.54 N ATOM 1218 CA ILE A 77 -14.140 -7.551 -17.562 1.00 71.55 C ATOM 1219 C ILE A 77 -13.363 -8.753 -17.036 1.00 1.11 C ATOM 1220 O ILE A 77 -13.391 -9.831 -17.627 1.00 25.40 O ATOM 1221 CB ILE A 77 -15.584 -7.615 -17.029 1.00 71.21 C ATOM 1222 CG1 ILE A 77 -16.386 -6.407 -17.520 1.00 24.54 C ATOM 1223 CG2 ILE A 77 -15.585 -7.677 -15.509 1.00 52.04 C ATOM 1224 CD1 ILE A 77 -17.882 -6.577 -17.376 1.00 21.44 C ATOM 0 H ILE A 77 -14.719 -8.185 -19.473 1.00 62.54 H new ATOM 0 HA ILE A 77 -13.670 -6.634 -17.207 1.00 71.55 H new ATOM 0 HB ILE A 77 -16.057 -8.520 -17.410 1.00 71.21 H new ATOM 0 HG12 ILE A 77 -16.074 -5.523 -16.964 1.00 24.54 H new ATOM 0 HG13 ILE A 77 -16.148 -6.225 -18.568 1.00 24.54 H new ATOM 0 HG21 ILE A 77 -16.612 -7.722 -15.147 1.00 52.04 H new ATOM 0 HG22 ILE A 77 -15.046 -8.566 -15.181 1.00 52.04 H new ATOM 0 HG23 ILE A 77 -15.098 -6.788 -15.108 1.00 52.04 H new ATOM 0 HD11 ILE A 77 -18.387 -5.683 -17.743 1.00 21.44 H new ATOM 0 HD12 ILE A 77 -18.207 -7.441 -17.955 1.00 21.44 H new ATOM 0 HD13 ILE A 77 -18.132 -6.729 -16.326 1.00 21.44 H new ATOM 1236 N ASP A 78 -12.670 -8.558 -15.919 1.00 24.44 N ATOM 1237 CA ASP A 78 -11.886 -9.626 -15.310 1.00 23.31 C ATOM 1238 C ASP A 78 -12.791 -10.624 -14.592 1.00 45.35 C ATOM 1239 O ASP A 78 -13.337 -10.329 -13.530 1.00 22.24 O ATOM 1240 CB ASP A 78 -10.868 -9.045 -14.327 1.00 61.23 C ATOM 1241 CG ASP A 78 -10.266 -7.744 -14.820 1.00 13.22 C ATOM 1242 OD1 ASP A 78 -9.343 -7.798 -15.659 1.00 65.32 O ATOM 1243 OD2 ASP A 78 -10.717 -6.671 -14.366 1.00 13.01 O ATOM 0 H ASP A 78 -12.635 -7.671 -15.417 1.00 24.44 H new ATOM 0 HA ASP A 78 -11.355 -10.150 -16.104 1.00 23.31 H new ATOM 0 HB2 ASP A 78 -11.351 -8.877 -13.365 1.00 61.23 H new ATOM 0 HB3 ASP A 78 -10.072 -9.771 -14.161 1.00 61.23 H new ATOM 1248 N TYR A 79 -12.946 -11.804 -15.182 1.00 44.12 N ATOM 1249 CA TYR A 79 -13.787 -12.844 -14.602 1.00 33.42 C ATOM 1250 C TYR A 79 -12.941 -13.892 -13.884 1.00 35.33 C ATOM 1251 O TYR A 79 -11.903 -14.321 -14.388 1.00 74.12 O ATOM 1252 CB TYR A 79 -14.632 -13.511 -15.689 1.00 2.13 C ATOM 1253 CG TYR A 79 -13.811 -14.153 -16.784 1.00 71.40 C ATOM 1254 CD1 TYR A 79 -13.405 -15.478 -16.690 1.00 24.51 C ATOM 1255 CD2 TYR A 79 -13.444 -13.434 -17.915 1.00 61.24 C ATOM 1256 CE1 TYR A 79 -12.654 -16.068 -17.689 1.00 34.31 C ATOM 1257 CE2 TYR A 79 -12.695 -14.016 -18.920 1.00 30.22 C ATOM 1258 CZ TYR A 79 -12.302 -15.333 -18.801 1.00 70.40 C ATOM 1259 OH TYR A 79 -11.556 -15.918 -19.799 1.00 34.23 O ATOM 0 H TYR A 79 -12.500 -12.064 -16.062 1.00 44.12 H new ATOM 0 HA TYR A 79 -14.449 -12.376 -13.873 1.00 33.42 H new ATOM 0 HB2 TYR A 79 -15.267 -14.269 -15.230 1.00 2.13 H new ATOM 0 HB3 TYR A 79 -15.294 -12.766 -16.131 1.00 2.13 H new ATOM 0 HD1 TYR A 79 -13.681 -16.057 -15.821 1.00 24.51 H new ATOM 0 HD2 TYR A 79 -13.749 -12.402 -18.010 1.00 61.24 H new ATOM 0 HE1 TYR A 79 -12.345 -17.099 -17.599 1.00 34.31 H new ATOM 0 HE2 TYR A 79 -12.419 -13.443 -19.793 1.00 30.22 H new ATOM 0 HH TYR A 79 -11.394 -15.265 -20.512 1.00 34.23 H new ATOM 1269 N THR A 80 -13.394 -14.300 -12.702 1.00 74.24 N ATOM 1270 CA THR A 80 -12.682 -15.297 -11.914 1.00 63.10 C ATOM 1271 C THR A 80 -13.546 -16.529 -11.675 1.00 31.15 C ATOM 1272 O THR A 80 -14.642 -16.434 -11.122 1.00 44.24 O ATOM 1273 CB THR A 80 -12.236 -14.724 -10.555 1.00 24.13 C ATOM 1274 OG1 THR A 80 -11.603 -15.746 -9.776 1.00 73.23 O ATOM 1275 CG2 THR A 80 -13.424 -14.158 -9.791 1.00 4.03 C ATOM 0 H THR A 80 -14.251 -13.955 -12.270 1.00 74.24 H new ATOM 0 HA THR A 80 -11.800 -15.582 -12.487 1.00 63.10 H new ATOM 0 HB THR A 80 -11.526 -13.918 -10.740 1.00 24.13 H new ATOM 0 HG1 THR A 80 -11.321 -15.373 -8.915 1.00 73.23 H new ATOM 0 HG21 THR A 80 -13.085 -13.759 -8.835 1.00 4.03 H new ATOM 0 HG22 THR A 80 -13.885 -13.361 -10.374 1.00 4.03 H new ATOM 0 HG23 THR A 80 -14.154 -14.948 -9.616 1.00 4.03 H new ATOM 1283 N VAL A 81 -13.045 -17.688 -12.092 1.00 34.41 N ATOM 1284 CA VAL A 81 -13.772 -18.941 -11.921 1.00 61.14 C ATOM 1285 C VAL A 81 -13.405 -19.613 -10.602 1.00 61.14 C ATOM 1286 O VAL A 81 -12.227 -19.793 -10.292 1.00 10.35 O ATOM 1287 CB VAL A 81 -13.488 -19.917 -13.079 1.00 14.23 C ATOM 1288 CG1 VAL A 81 -14.275 -21.205 -12.896 1.00 34.23 C ATOM 1289 CG2 VAL A 81 -13.816 -19.267 -14.415 1.00 3.33 C ATOM 0 H VAL A 81 -12.139 -17.785 -12.550 1.00 34.41 H new ATOM 0 HA VAL A 81 -14.834 -18.694 -11.916 1.00 61.14 H new ATOM 0 HB VAL A 81 -12.426 -20.164 -13.072 1.00 14.23 H new ATOM 0 HG11 VAL A 81 -14.062 -21.882 -13.723 1.00 34.23 H new ATOM 0 HG12 VAL A 81 -13.987 -21.677 -11.957 1.00 34.23 H new ATOM 0 HG13 VAL A 81 -15.341 -20.980 -12.877 1.00 34.23 H new ATOM 0 HG21 VAL A 81 -13.610 -19.970 -15.222 1.00 3.33 H new ATOM 0 HG22 VAL A 81 -14.870 -18.990 -14.436 1.00 3.33 H new ATOM 0 HG23 VAL A 81 -13.204 -18.375 -14.546 1.00 3.33 H new ATOM 1299 N LEU A 82 -14.420 -19.983 -9.831 1.00 74.45 N ATOM 1300 CA LEU A 82 -14.205 -20.637 -8.545 1.00 14.41 C ATOM 1301 C LEU A 82 -14.518 -22.127 -8.633 1.00 62.11 C ATOM 1302 O LEU A 82 -15.574 -22.521 -9.127 1.00 73.32 O ATOM 1303 CB LEU A 82 -15.074 -19.985 -7.467 1.00 54.12 C ATOM 1304 CG LEU A 82 -15.010 -20.620 -6.078 1.00 63.31 C ATOM 1305 CD1 LEU A 82 -13.609 -20.497 -5.498 1.00 42.42 C ATOM 1306 CD2 LEU A 82 -16.031 -19.979 -5.151 1.00 15.32 C ATOM 0 H LEU A 82 -15.401 -19.842 -10.073 1.00 74.45 H new ATOM 0 HA LEU A 82 -13.155 -20.520 -8.277 1.00 14.41 H new ATOM 0 HB2 LEU A 82 -14.784 -18.938 -7.379 1.00 54.12 H new ATOM 0 HB3 LEU A 82 -16.110 -20.002 -7.805 1.00 54.12 H new ATOM 0 HG LEU A 82 -15.250 -21.679 -6.173 1.00 63.31 H new ATOM 0 HD11 LEU A 82 -13.583 -20.955 -4.509 1.00 42.42 H new ATOM 0 HD12 LEU A 82 -12.899 -21.004 -6.151 1.00 42.42 H new ATOM 0 HD13 LEU A 82 -13.340 -19.444 -5.418 1.00 42.42 H new ATOM 0 HD21 LEU A 82 -15.971 -20.444 -4.167 1.00 15.32 H new ATOM 0 HD22 LEU A 82 -15.823 -18.913 -5.062 1.00 15.32 H new ATOM 0 HD23 LEU A 82 -17.032 -20.121 -5.559 1.00 15.32 H new