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 Set 1.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc=0.000142 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 -14.839 -6.309 -11.979 1.00 12.14 N ATOM 125 CA ARG A 9 -14.391 -7.696 -11.997 1.00 70.02 C ATOM 126 C ARG A 9 -15.575 -8.652 -11.875 1.00 0.41 C ATOM 127 O ARG A 9 -16.524 -8.388 -11.137 1.00 52.03 O ATOM 128 CB ARG A 9 -13.400 -7.950 -10.860 1.00 45.11 C ATOM 129 CG ARG A 9 -12.046 -7.292 -11.075 1.00 44.42 C ATOM 130 CD ARG A 9 -11.367 -6.969 -9.753 1.00 10.13 C ATOM 131 NE ARG A 9 -9.942 -6.698 -9.922 1.00 11.54 N ATOM 132 CZ ARG A 9 -9.181 -6.155 -8.978 1.00 13.01 C ATOM 133 NH1 ARG A 9 -9.706 -5.828 -7.804 1.00 45.32 N ATOM 134 NH2 ARG A 9 -7.892 -5.938 -9.205 1.00 73.54 N ATOM 0 HA ARG A 9 -13.895 -7.878 -12.950 1.00 70.02 H new ATOM 0 HB2 ARG A 9 -13.829 -7.584 -9.927 1.00 45.11 H new ATOM 0 HB3 ARG A 9 -13.258 -9.025 -10.746 1.00 45.11 H new ATOM 0 HG2 ARG A 9 -11.408 -7.953 -11.661 1.00 44.42 H new ATOM 0 HG3 ARG A 9 -12.173 -6.377 -11.653 1.00 44.42 H new ATOM 0 HD2 ARG A 9 -11.849 -6.103 -9.300 1.00 10.13 H new ATOM 0 HD3 ARG A 9 -11.498 -7.804 -9.065 1.00 10.13 H new ATOM 0 HE ARG A 9 -9.507 -6.939 -10.813 1.00 11.54 H new ATOM 0 HH11 ARG A 9 -10.696 -5.993 -7.624 1.00 45.32 H new ATOM 0 HH12 ARG A 9 -9.119 -5.411 -7.081 1.00 45.32 H new ATOM 0 HH21 ARG A 9 -7.484 -6.188 -10.106 1.00 73.54 H new ATOM 0 HH22 ARG A 9 -7.309 -5.521 -8.479 1.00 73.54 H new ATOM 148 N ALA A 10 -15.512 -9.760 -12.604 1.00 73.31 N ATOM 149 CA ALA A 10 -16.577 -10.755 -12.576 1.00 60.25 C ATOM 150 C ALA A 10 -16.180 -11.961 -11.733 1.00 73.12 C ATOM 151 O ALA A 10 -15.088 -12.508 -11.888 1.00 3.44 O ATOM 152 CB ALA A 10 -16.929 -11.190 -13.991 1.00 32.24 C ATOM 0 H ALA A 10 -14.734 -9.992 -13.222 1.00 73.31 H new ATOM 0 HA ALA A 10 -17.455 -10.299 -12.118 1.00 60.25 H new ATOM 0 HB1 ALA A 10 -17.726 -11.933 -13.956 1.00 32.24 H new ATOM 0 HB2 ALA A 10 -17.264 -10.326 -14.565 1.00 32.24 H new ATOM 0 HB3 ALA A 10 -16.050 -11.623 -14.468 1.00 32.24 H new ATOM 158 N ARG A 11 -17.074 -12.372 -10.839 1.00 55.14 N ATOM 159 CA ARG A 11 -16.816 -13.513 -9.969 1.00 0.01 C ATOM 160 C ARG A 11 -17.686 -14.704 -10.361 1.00 71.30 C ATOM 161 O ARG A 11 -18.878 -14.742 -10.054 1.00 4.40 O ATOM 162 CB ARG A 11 -17.074 -13.137 -8.509 1.00 33.24 C ATOM 163 CG ARG A 11 -16.939 -14.305 -7.546 1.00 32.51 C ATOM 164 CD ARG A 11 -17.269 -13.893 -6.120 1.00 71.33 C ATOM 165 NE ARG A 11 -18.703 -13.951 -5.853 1.00 14.21 N ATOM 166 CZ ARG A 11 -19.383 -15.085 -5.721 1.00 22.32 C ATOM 167 NH1 ARG A 11 -18.760 -16.251 -5.830 1.00 43.10 N ATOM 168 NH2 ARG A 11 -20.687 -15.056 -5.478 1.00 42.02 N ATOM 0 H ARG A 11 -17.983 -11.932 -10.698 1.00 55.14 H new ATOM 0 HA ARG A 11 -15.770 -13.796 -10.084 1.00 0.01 H new ATOM 0 HB2 ARG A 11 -16.376 -12.353 -8.216 1.00 33.24 H new ATOM 0 HB3 ARG A 11 -18.077 -12.720 -8.422 1.00 33.24 H new ATOM 0 HG2 ARG A 11 -17.603 -15.112 -7.856 1.00 32.51 H new ATOM 0 HG3 ARG A 11 -15.922 -14.696 -7.587 1.00 32.51 H new ATOM 0 HD2 ARG A 11 -16.744 -14.546 -5.423 1.00 71.33 H new ATOM 0 HD3 ARG A 11 -16.908 -12.880 -5.942 1.00 71.33 H new ATOM 0 HE ARG A 11 -19.212 -13.072 -5.763 1.00 14.21 H new ATOM 0 HH11 ARG A 11 -17.757 -16.278 -6.015 1.00 43.10 H new ATOM 0 HH12 ARG A 11 -19.284 -17.120 -5.728 1.00 43.10 H new ATOM 0 HH21 ARG A 11 -21.170 -14.162 -5.392 1.00 42.02 H new ATOM 0 HH22 ARG A 11 -21.206 -15.928 -5.377 1.00 42.02 H new ATOM 182 N ILE A 12 -17.083 -15.673 -11.041 1.00 72.21 N ATOM 183 CA ILE A 12 -17.803 -16.864 -11.473 1.00 60.03 C ATOM 184 C ILE A 12 -17.607 -18.013 -10.490 1.00 1.24 C ATOM 185 O ILE A 12 -16.493 -18.270 -10.032 1.00 43.34 O ATOM 186 CB ILE A 12 -17.349 -17.318 -12.873 1.00 30.30 C ATOM 187 CG1 ILE A 12 -17.569 -16.200 -13.893 1.00 0.52 C ATOM 188 CG2 ILE A 12 -18.097 -18.577 -13.289 1.00 65.43 C ATOM 189 CD1 ILE A 12 -16.753 -16.364 -15.156 1.00 50.25 C ATOM 0 H ILE A 12 -16.098 -15.657 -11.305 1.00 72.21 H new ATOM 0 HA ILE A 12 -18.859 -16.598 -11.510 1.00 60.03 H new ATOM 0 HB ILE A 12 -16.284 -17.546 -12.837 1.00 30.30 H new ATOM 0 HG12 ILE A 12 -18.626 -16.162 -14.156 1.00 0.52 H new ATOM 0 HG13 ILE A 12 -17.321 -15.244 -13.431 1.00 0.52 H new ATOM 0 HG21 ILE A 12 -17.766 -18.886 -14.280 1.00 65.43 H new ATOM 0 HG22 ILE A 12 -17.894 -19.374 -12.574 1.00 65.43 H new ATOM 0 HG23 ILE A 12 -19.168 -18.374 -13.311 1.00 65.43 H new ATOM 0 HD11 ILE A 12 -16.960 -15.535 -15.833 1.00 50.25 H new ATOM 0 HD12 ILE A 12 -15.692 -16.372 -14.905 1.00 50.25 H new ATOM 0 HD13 ILE A 12 -17.018 -17.304 -15.641 1.00 50.25 H new ATOM 201 N TYR A 13 -18.696 -18.702 -10.170 1.00 75.13 N ATOM 202 CA TYR A 13 -18.645 -19.824 -9.239 1.00 51.33 C ATOM 203 C TYR A 13 -19.326 -21.054 -9.832 1.00 14.24 C ATOM 204 O TYR A 13 -20.407 -20.960 -10.414 1.00 32.10 O ATOM 205 CB TYR A 13 -19.310 -19.446 -7.916 1.00 35.04 C ATOM 206 CG TYR A 13 -19.366 -20.583 -6.919 1.00 41.15 C ATOM 207 CD1 TYR A 13 -18.202 -21.185 -6.459 1.00 32.21 C ATOM 208 CD2 TYR A 13 -20.581 -21.054 -6.441 1.00 72.23 C ATOM 209 CE1 TYR A 13 -18.247 -22.225 -5.549 1.00 75.32 C ATOM 210 CE2 TYR A 13 -20.637 -22.093 -5.531 1.00 5.04 C ATOM 211 CZ TYR A 13 -19.467 -22.674 -5.089 1.00 15.25 C ATOM 212 OH TYR A 13 -19.518 -23.709 -4.182 1.00 62.13 O ATOM 0 H TYR A 13 -19.625 -18.504 -10.541 1.00 75.13 H new ATOM 0 HA TYR A 13 -17.598 -20.064 -9.055 1.00 51.33 H new ATOM 0 HB2 TYR A 13 -18.768 -18.611 -7.472 1.00 35.04 H new ATOM 0 HB3 TYR A 13 -20.324 -19.098 -8.115 1.00 35.04 H new ATOM 0 HD1 TYR A 13 -17.246 -20.835 -6.818 1.00 32.21 H new ATOM 0 HD2 TYR A 13 -21.499 -20.601 -6.786 1.00 72.23 H new ATOM 0 HE1 TYR A 13 -17.333 -22.683 -5.201 1.00 75.32 H new ATOM 0 HE2 TYR A 13 -21.591 -22.447 -5.169 1.00 5.04 H new ATOM 0 HH TYR A 13 -20.452 -23.903 -3.959 1.00 62.13 H new ATOM 468 N TRP A 30 -24.642 -22.522 -13.184 1.00 11.14 N ATOM 469 CA TRP A 30 -23.472 -21.764 -12.757 1.00 21.11 C ATOM 470 C TRP A 30 -23.882 -20.433 -12.136 1.00 40.10 C ATOM 471 O TRP A 30 -24.988 -19.943 -12.366 1.00 21.44 O ATOM 472 CB TRP A 30 -22.536 -21.521 -13.942 1.00 33.04 C ATOM 473 CG TRP A 30 -21.758 -22.737 -14.344 1.00 32.43 C ATOM 474 CD1 TRP A 30 -22.231 -23.827 -15.017 1.00 72.43 C ATOM 475 CD2 TRP A 30 -20.371 -22.989 -14.095 1.00 23.31 C ATOM 476 NE1 TRP A 30 -21.222 -24.741 -15.203 1.00 23.14 N ATOM 477 CE2 TRP A 30 -20.070 -24.250 -14.647 1.00 31.13 C ATOM 478 CE3 TRP A 30 -19.352 -22.270 -13.463 1.00 52.11 C ATOM 479 CZ2 TRP A 30 -18.795 -24.805 -14.582 1.00 25.04 C ATOM 480 CZ3 TRP A 30 -18.087 -22.822 -13.399 1.00 75.43 C ATOM 481 CH2 TRP A 30 -17.817 -24.080 -13.957 1.00 1.23 C ATOM 0 HA TRP A 30 -22.947 -22.349 -12.002 1.00 21.11 H new ATOM 0 HB2 TRP A 30 -23.122 -21.176 -14.794 1.00 33.04 H new ATOM 0 HB3 TRP A 30 -21.840 -20.721 -13.688 1.00 33.04 H new ATOM 0 HD1 TRP A 30 -23.249 -23.952 -15.354 1.00 72.43 H new ATOM 0 HE1 TRP A 30 -21.315 -25.639 -15.678 1.00 23.14 H new ATOM 0 HE3 TRP A 30 -19.550 -21.300 -13.032 1.00 52.11 H new ATOM 0 HZ2 TRP A 30 -18.585 -25.774 -15.010 1.00 25.04 H new ATOM 0 HZ3 TRP A 30 -17.293 -22.276 -12.911 1.00 75.43 H new ATOM 0 HH2 TRP A 30 -16.818 -24.485 -13.892 1.00 1.23 H new ATOM 492 N LYS A 31 -22.984 -19.851 -11.347 1.00 73.34 N ATOM 493 CA LYS A 31 -23.251 -18.576 -10.694 1.00 55.14 C ATOM 494 C LYS A 31 -22.248 -17.517 -11.139 1.00 12.45 C ATOM 495 O LYS A 31 -21.112 -17.832 -11.493 1.00 50.03 O ATOM 496 CB LYS A 31 -23.198 -18.737 -9.173 1.00 62.52 C ATOM 497 CG LYS A 31 -24.392 -19.478 -8.598 1.00 71.31 C ATOM 498 CD LYS A 31 -25.561 -18.541 -8.346 1.00 35.23 C ATOM 499 CE LYS A 31 -26.528 -19.119 -7.323 1.00 43.32 C ATOM 500 NZ LYS A 31 -27.879 -18.500 -7.426 1.00 24.40 N ATOM 0 H LYS A 31 -22.064 -20.243 -11.145 1.00 73.34 H new ATOM 0 HA LYS A 31 -24.250 -18.250 -10.984 1.00 55.14 H new ATOM 0 HB2 LYS A 31 -22.286 -19.270 -8.904 1.00 62.52 H new ATOM 0 HB3 LYS A 31 -23.138 -17.750 -8.714 1.00 62.52 H new ATOM 0 HG2 LYS A 31 -24.698 -20.266 -9.286 1.00 71.31 H new ATOM 0 HG3 LYS A 31 -24.105 -19.963 -7.665 1.00 71.31 H new ATOM 0 HD2 LYS A 31 -25.188 -17.579 -7.993 1.00 35.23 H new ATOM 0 HD3 LYS A 31 -26.088 -18.355 -9.282 1.00 35.23 H new ATOM 0 HE2 LYS A 31 -26.610 -20.196 -7.469 1.00 43.32 H new ATOM 0 HE3 LYS A 31 -26.132 -18.962 -6.320 1.00 43.32 H new ATOM 0 HZ1 LYS A 31 -28.509 -18.920 -6.713 1.00 24.40 H new ATOM 0 HZ2 LYS A 31 -27.805 -17.476 -7.262 1.00 24.40 H new ATOM 0 HZ3 LYS A 31 -28.268 -18.671 -8.375 1.00 24.40 H new ATOM 514 N LEU A 32 -22.675 -16.258 -11.117 1.00 10.13 N ATOM 515 CA LEU A 32 -21.813 -15.152 -11.516 1.00 3.41 C ATOM 516 C LEU A 32 -22.197 -13.870 -10.782 1.00 73.13 C ATOM 517 O LEU A 32 -23.370 -13.500 -10.733 1.00 42.04 O ATOM 518 CB LEU A 32 -21.899 -14.932 -13.027 1.00 41.31 C ATOM 519 CG LEU A 32 -20.992 -13.843 -13.601 1.00 22.24 C ATOM 520 CD1 LEU A 32 -21.623 -12.471 -13.419 1.00 20.53 C ATOM 521 CD2 LEU A 32 -19.620 -13.892 -12.944 1.00 24.04 C ATOM 0 H LEU A 32 -23.612 -15.979 -10.827 1.00 10.13 H new ATOM 0 HA LEU A 32 -20.788 -15.409 -11.250 1.00 3.41 H new ATOM 0 HB2 LEU A 32 -21.663 -15.873 -13.525 1.00 41.31 H new ATOM 0 HB3 LEU A 32 -22.931 -14.688 -13.280 1.00 41.31 H new ATOM 0 HG LEU A 32 -20.869 -14.025 -14.669 1.00 22.24 H new ATOM 0 HD11 LEU A 32 -20.963 -11.709 -13.834 1.00 20.53 H new ATOM 0 HD12 LEU A 32 -22.582 -12.440 -13.936 1.00 20.53 H new ATOM 0 HD13 LEU A 32 -21.777 -12.279 -12.357 1.00 20.53 H new ATOM 0 HD21 LEU A 32 -18.987 -13.110 -13.364 1.00 24.04 H new ATOM 0 HD22 LEU A 32 -19.725 -13.736 -11.870 1.00 24.04 H new ATOM 0 HD23 LEU A 32 -19.164 -14.865 -13.126 1.00 24.04 H new ATOM 533 N GLU A 33 -21.201 -13.198 -10.215 1.00 2.21 N ATOM 534 CA GLU A 33 -21.435 -11.957 -9.485 1.00 23.20 C ATOM 535 C GLU A 33 -20.420 -10.889 -9.887 1.00 33.51 C ATOM 536 O GLU A 33 -19.237 -10.988 -9.561 1.00 72.31 O ATOM 537 CB GLU A 33 -21.362 -12.205 -7.977 1.00 65.54 C ATOM 538 CG GLU A 33 -21.657 -10.970 -7.143 1.00 32.15 C ATOM 539 CD GLU A 33 -23.133 -10.818 -6.829 1.00 71.20 C ATOM 540 OE1 GLU A 33 -23.664 -11.649 -6.063 1.00 54.34 O ATOM 541 OE2 GLU A 33 -23.755 -9.868 -7.348 1.00 54.23 O ATOM 0 H GLU A 33 -20.225 -13.491 -10.247 1.00 2.21 H new ATOM 0 HA GLU A 33 -22.433 -11.599 -9.739 1.00 23.20 H new ATOM 0 HB2 GLU A 33 -22.070 -12.990 -7.712 1.00 65.54 H new ATOM 0 HB3 GLU A 33 -20.368 -12.574 -7.726 1.00 65.54 H new ATOM 0 HG2 GLU A 33 -21.094 -11.023 -6.211 1.00 32.15 H new ATOM 0 HG3 GLU A 33 -21.309 -10.085 -7.676 1.00 32.15 H new ATOM 548 N PHE A 34 -20.893 -9.871 -10.596 1.00 44.32 N ATOM 549 CA PHE A 34 -20.028 -8.785 -11.044 1.00 32.20 C ATOM 550 C PHE A 34 -19.978 -7.666 -10.007 1.00 13.14 C ATOM 551 O PHE A 34 -20.987 -7.340 -9.383 1.00 23.02 O ATOM 552 CB PHE A 34 -20.519 -8.233 -12.384 1.00 11.04 C ATOM 553 CG PHE A 34 -21.821 -7.490 -12.285 1.00 24.21 C ATOM 554 CD1 PHE A 34 -23.027 -8.166 -12.370 1.00 3.03 C ATOM 555 CD2 PHE A 34 -21.838 -6.116 -12.105 1.00 64.23 C ATOM 556 CE1 PHE A 34 -24.226 -7.485 -12.280 1.00 42.03 C ATOM 557 CE2 PHE A 34 -23.034 -5.429 -12.015 1.00 71.31 C ATOM 558 CZ PHE A 34 -24.230 -6.115 -12.102 1.00 33.24 C ATOM 0 H PHE A 34 -21.870 -9.774 -10.873 1.00 44.32 H new ATOM 0 HA PHE A 34 -19.022 -9.184 -11.170 1.00 32.20 H new ATOM 0 HB2 PHE A 34 -19.760 -7.567 -12.794 1.00 11.04 H new ATOM 0 HB3 PHE A 34 -20.633 -9.057 -13.088 1.00 11.04 H new ATOM 0 HD1 PHE A 34 -23.030 -9.237 -12.508 1.00 3.03 H new ATOM 0 HD2 PHE A 34 -20.906 -5.576 -12.034 1.00 64.23 H new ATOM 0 HE1 PHE A 34 -25.160 -8.024 -12.349 1.00 42.03 H new ATOM 0 HE2 PHE A 34 -23.034 -4.358 -11.877 1.00 71.31 H new ATOM 0 HZ PHE A 34 -25.166 -5.581 -12.031 1.00 33.24 H new ATOM 568 N GLU A 35 -18.796 -7.084 -9.829 1.00 73.31 N ATOM 569 CA GLU A 35 -18.614 -6.004 -8.867 1.00 43.53 C ATOM 570 C GLU A 35 -19.445 -4.784 -9.257 1.00 40.30 C ATOM 571 O GLU A 35 -19.501 -4.384 -10.420 1.00 32.12 O ATOM 572 CB GLU A 35 -17.137 -5.618 -8.773 1.00 22.34 C ATOM 573 CG GLU A 35 -16.860 -4.507 -7.774 1.00 43.14 C ATOM 574 CD GLU A 35 -16.590 -5.030 -6.378 1.00 12.42 C ATOM 575 OE1 GLU A 35 -17.169 -6.076 -6.014 1.00 40.00 O ATOM 576 OE2 GLU A 35 -15.802 -4.395 -5.646 1.00 50.25 O ATOM 0 H GLU A 35 -17.951 -7.342 -10.338 1.00 73.31 H new ATOM 0 HA GLU A 35 -18.952 -6.358 -7.893 1.00 43.53 H new ATOM 0 HB2 GLU A 35 -16.557 -6.498 -8.495 1.00 22.34 H new ATOM 0 HB3 GLU A 35 -16.789 -5.305 -9.757 1.00 22.34 H new ATOM 0 HG2 GLU A 35 -16.002 -3.926 -8.112 1.00 43.14 H new ATOM 0 HG3 GLU A 35 -17.713 -3.829 -7.745 1.00 43.14 H new ATOM 946 N LEU A 60 -26.123 -13.069 -10.328 1.00 53.25 N ATOM 947 CA LEU A 60 -26.595 -13.504 -11.638 1.00 42.32 C ATOM 948 C LEU A 60 -26.395 -15.005 -11.818 1.00 73.12 C ATOM 949 O LEU A 60 -25.322 -15.538 -11.535 1.00 0.43 O ATOM 950 CB LEU A 60 -25.860 -12.744 -12.744 1.00 63.43 C ATOM 951 CG LEU A 60 -26.740 -11.965 -13.723 1.00 25.00 C ATOM 952 CD1 LEU A 60 -25.888 -11.301 -14.794 1.00 20.13 C ATOM 953 CD2 LEU A 60 -27.775 -12.883 -14.355 1.00 42.40 C ATOM 0 HA LEU A 60 -27.661 -13.288 -11.703 1.00 42.32 H new ATOM 0 HB2 LEU A 60 -25.165 -12.046 -12.277 1.00 63.43 H new ATOM 0 HB3 LEU A 60 -25.263 -13.457 -13.312 1.00 63.43 H new ATOM 0 HG LEU A 60 -27.264 -11.185 -13.170 1.00 25.00 H new ATOM 0 HD11 LEU A 60 -26.531 -10.751 -15.481 1.00 20.13 H new ATOM 0 HD12 LEU A 60 -25.186 -10.612 -14.325 1.00 20.13 H new ATOM 0 HD13 LEU A 60 -25.336 -12.063 -15.344 1.00 20.13 H new ATOM 0 HD21 LEU A 60 -28.392 -12.312 -15.049 1.00 42.40 H new ATOM 0 HD22 LEU A 60 -27.270 -13.684 -14.894 1.00 42.40 H new ATOM 0 HD23 LEU A 60 -28.406 -13.311 -13.576 1.00 42.40 H new ATOM 965 N SER A 61 -27.436 -15.682 -12.293 1.00 71.23 N ATOM 966 CA SER A 61 -27.376 -17.122 -12.510 1.00 34.24 C ATOM 967 C SER A 61 -27.280 -17.445 -13.998 1.00 21.32 C ATOM 968 O SER A 61 -28.025 -16.899 -14.812 1.00 62.01 O ATOM 969 CB SER A 61 -28.608 -17.802 -11.908 1.00 14.21 C ATOM 970 OG SER A 61 -29.073 -17.098 -10.770 1.00 32.10 O ATOM 0 H SER A 61 -28.331 -15.256 -12.535 1.00 71.23 H new ATOM 0 HA SER A 61 -26.482 -17.501 -12.015 1.00 34.24 H new ATOM 0 HB2 SER A 61 -29.400 -17.855 -12.655 1.00 14.21 H new ATOM 0 HB3 SER A 61 -28.362 -18.827 -11.630 1.00 14.21 H new ATOM 0 HG SER A 61 -29.861 -17.551 -10.405 1.00 32.10 H new ATOM 976 N PHE A 62 -26.357 -18.336 -14.345 1.00 44.51 N ATOM 977 CA PHE A 62 -26.161 -18.731 -15.735 1.00 25.01 C ATOM 978 C PHE A 62 -26.365 -20.233 -15.908 1.00 22.11 C ATOM 979 O PHE A 62 -26.226 -21.004 -14.957 1.00 64.12 O ATOM 980 CB PHE A 62 -24.759 -18.337 -16.207 1.00 12.15 C ATOM 981 CG PHE A 62 -24.605 -16.866 -16.464 1.00 45.43 C ATOM 982 CD1 PHE A 62 -25.298 -16.253 -17.497 1.00 31.44 C ATOM 983 CD2 PHE A 62 -23.765 -16.095 -15.675 1.00 40.14 C ATOM 984 CE1 PHE A 62 -25.158 -14.899 -17.736 1.00 60.42 C ATOM 985 CE2 PHE A 62 -23.622 -14.741 -15.910 1.00 44.32 C ATOM 986 CZ PHE A 62 -24.318 -14.142 -16.943 1.00 33.20 C ATOM 0 H PHE A 62 -25.733 -18.798 -13.683 1.00 44.51 H new ATOM 0 HA PHE A 62 -26.901 -18.210 -16.342 1.00 25.01 H new ATOM 0 HB2 PHE A 62 -24.032 -18.645 -15.456 1.00 12.15 H new ATOM 0 HB3 PHE A 62 -24.525 -18.884 -17.120 1.00 12.15 H new ATOM 0 HD1 PHE A 62 -25.955 -16.840 -18.122 1.00 31.44 H new ATOM 0 HD2 PHE A 62 -23.217 -16.558 -14.868 1.00 40.14 H new ATOM 0 HE1 PHE A 62 -25.705 -14.433 -18.542 1.00 60.42 H new ATOM 0 HE2 PHE A 62 -22.967 -14.151 -15.287 1.00 44.32 H new ATOM 0 HZ PHE A 62 -24.205 -13.084 -17.130 1.00 33.20 H new ATOM 996 N THR A 63 -26.696 -20.643 -17.128 1.00 22.15 N ATOM 997 CA THR A 63 -26.921 -22.052 -17.426 1.00 61.31 C ATOM 998 C THR A 63 -25.601 -22.799 -17.578 1.00 71.43 C ATOM 999 O THR A 63 -25.399 -23.854 -16.974 1.00 5.25 O ATOM 1000 CB THR A 63 -27.749 -22.228 -18.712 1.00 75.52 C ATOM 1001 OG1 THR A 63 -28.700 -21.165 -18.832 1.00 53.21 O ATOM 1002 CG2 THR A 63 -28.475 -23.566 -18.709 1.00 65.51 C ATOM 0 H THR A 63 -26.814 -20.019 -17.926 1.00 22.15 H new ATOM 0 HA THR A 63 -27.476 -22.469 -16.586 1.00 61.31 H new ATOM 0 HB THR A 63 -27.068 -22.203 -19.562 1.00 75.52 H new ATOM 0 HG1 THR A 63 -29.221 -21.284 -19.653 1.00 53.21 H new ATOM 0 HG21 THR A 63 -29.053 -23.668 -19.627 1.00 65.51 H new ATOM 0 HG22 THR A 63 -27.747 -24.375 -18.647 1.00 65.51 H new ATOM 0 HG23 THR A 63 -29.145 -23.614 -17.851 1.00 65.51 H new ATOM 1010 N THR A 64 -24.704 -22.248 -18.389 1.00 71.14 N ATOM 1011 CA THR A 64 -23.403 -22.862 -18.621 1.00 61.22 C ATOM 1012 C THR A 64 -22.274 -21.957 -18.143 1.00 65.23 C ATOM 1013 O THR A 64 -22.505 -20.809 -17.763 1.00 34.15 O ATOM 1014 CB THR A 64 -23.191 -23.184 -20.113 1.00 52.45 C ATOM 1015 OG1 THR A 64 -23.935 -22.266 -20.922 1.00 50.42 O ATOM 1016 CG2 THR A 64 -23.624 -24.609 -20.427 1.00 12.50 C ATOM 0 H THR A 64 -24.855 -21.376 -18.897 1.00 71.14 H new ATOM 0 HA THR A 64 -23.386 -23.791 -18.051 1.00 61.22 H new ATOM 0 HB THR A 64 -22.128 -23.087 -20.335 1.00 52.45 H new ATOM 0 HG1 THR A 64 -23.794 -22.476 -21.869 1.00 50.42 H new ATOM 0 HG21 THR A 64 -23.465 -24.813 -21.486 1.00 12.50 H new ATOM 0 HG22 THR A 64 -23.037 -25.307 -19.831 1.00 12.50 H new ATOM 0 HG23 THR A 64 -24.681 -24.729 -20.189 1.00 12.50 H new ATOM 1024 N ARG A 65 -21.052 -22.479 -18.167 1.00 71.53 N ATOM 1025 CA ARG A 65 -19.887 -21.718 -17.735 1.00 41.51 C ATOM 1026 C ARG A 65 -19.547 -20.625 -18.745 1.00 55.31 C ATOM 1027 O ARG A 65 -19.356 -19.466 -18.378 1.00 11.50 O ATOM 1028 CB ARG A 65 -18.685 -22.646 -17.549 1.00 4.01 C ATOM 1029 CG ARG A 65 -17.439 -21.935 -17.044 1.00 51.44 C ATOM 1030 CD ARG A 65 -16.172 -22.605 -17.551 1.00 32.43 C ATOM 1031 NE ARG A 65 -15.061 -22.453 -16.615 1.00 62.33 N ATOM 1032 CZ ARG A 65 -13.959 -23.194 -16.656 1.00 43.50 C ATOM 1033 NH1 ARG A 65 -13.822 -24.134 -17.581 1.00 43.34 N ATOM 1034 NH2 ARG A 65 -12.991 -22.995 -15.770 1.00 12.45 N ATOM 0 H ARG A 65 -20.844 -23.427 -18.481 1.00 71.53 H new ATOM 0 HA ARG A 65 -20.125 -21.247 -16.781 1.00 41.51 H new ATOM 0 HB2 ARG A 65 -18.952 -23.436 -16.847 1.00 4.01 H new ATOM 0 HB3 ARG A 65 -18.458 -23.128 -18.500 1.00 4.01 H new ATOM 0 HG2 ARG A 65 -17.456 -20.894 -17.368 1.00 51.44 H new ATOM 0 HG3 ARG A 65 -17.438 -21.930 -15.954 1.00 51.44 H new ATOM 0 HD2 ARG A 65 -16.364 -23.665 -17.717 1.00 32.43 H new ATOM 0 HD3 ARG A 65 -15.896 -22.176 -18.514 1.00 32.43 H new ATOM 0 HE ARG A 65 -15.135 -21.739 -15.890 1.00 62.33 H new ATOM 0 HH11 ARG A 65 -14.564 -24.290 -18.264 1.00 43.34 H new ATOM 0 HH12 ARG A 65 -12.975 -24.701 -17.610 1.00 43.34 H new ATOM 0 HH21 ARG A 65 -13.093 -22.273 -15.057 1.00 12.45 H new ATOM 0 HH22 ARG A 65 -12.145 -23.564 -15.802 1.00 12.45 H new ATOM 1048 N GLU A 66 -19.474 -21.003 -20.017 1.00 33.52 N ATOM 1049 CA GLU A 66 -19.156 -20.055 -21.078 1.00 22.22 C ATOM 1050 C GLU A 66 -20.076 -18.839 -21.015 1.00 32.33 C ATOM 1051 O GLU A 66 -19.692 -17.735 -21.405 1.00 32.11 O ATOM 1052 CB GLU A 66 -19.277 -20.728 -22.447 1.00 25.24 C ATOM 1053 CG GLU A 66 -18.253 -21.828 -22.677 1.00 13.21 C ATOM 1054 CD GLU A 66 -16.837 -21.378 -22.377 1.00 33.34 C ATOM 1055 OE1 GLU A 66 -16.272 -20.618 -23.190 1.00 62.10 O ATOM 1056 OE2 GLU A 66 -16.294 -21.787 -21.329 1.00 63.21 O ATOM 0 H GLU A 66 -19.631 -21.959 -20.338 1.00 33.52 H new ATOM 0 HA GLU A 66 -18.129 -19.720 -20.935 1.00 22.22 H new ATOM 0 HB2 GLU A 66 -20.278 -21.148 -22.549 1.00 25.24 H new ATOM 0 HB3 GLU A 66 -19.167 -19.972 -23.225 1.00 25.24 H new ATOM 0 HG2 GLU A 66 -18.499 -22.685 -22.050 1.00 13.21 H new ATOM 0 HG3 GLU A 66 -18.312 -22.164 -23.712 1.00 13.21 H new ATOM 1063 N LEU A 67 -21.291 -19.049 -20.521 1.00 71.40 N ATOM 1064 CA LEU A 67 -22.267 -17.971 -20.406 1.00 12.52 C ATOM 1065 C LEU A 67 -21.745 -16.858 -19.503 1.00 72.01 C ATOM 1066 O LEU A 67 -21.877 -15.675 -19.818 1.00 74.34 O ATOM 1067 CB LEU A 67 -23.589 -18.510 -19.858 1.00 10.25 C ATOM 1068 CG LEU A 67 -24.855 -18.036 -20.572 1.00 62.35 C ATOM 1069 CD1 LEU A 67 -24.868 -16.519 -20.687 1.00 63.14 C ATOM 1070 CD2 LEU A 67 -24.962 -18.677 -21.949 1.00 35.24 C ATOM 0 H LEU A 67 -21.624 -19.956 -20.194 1.00 71.40 H new ATOM 0 HA LEU A 67 -22.435 -17.558 -21.401 1.00 12.52 H new ATOM 0 HB2 LEU A 67 -23.559 -19.599 -19.899 1.00 10.25 H new ATOM 0 HB3 LEU A 67 -23.663 -18.232 -18.807 1.00 10.25 H new ATOM 0 HG LEU A 67 -25.718 -18.343 -19.981 1.00 62.35 H new ATOM 0 HD11 LEU A 67 -25.777 -16.201 -21.198 1.00 63.14 H new ATOM 0 HD12 LEU A 67 -24.839 -16.078 -19.690 1.00 63.14 H new ATOM 0 HD13 LEU A 67 -23.998 -16.190 -21.255 1.00 63.14 H new ATOM 0 HD21 LEU A 67 -25.869 -18.328 -22.443 1.00 35.24 H new ATOM 0 HD22 LEU A 67 -24.094 -18.401 -22.547 1.00 35.24 H new ATOM 0 HD23 LEU A 67 -25.000 -19.761 -21.844 1.00 35.24 H new ATOM 1082 N ALA A 68 -21.149 -17.244 -18.380 1.00 31.24 N ATOM 1083 CA ALA A 68 -20.603 -16.280 -17.433 1.00 3.31 C ATOM 1084 C ALA A 68 -19.469 -15.476 -18.061 1.00 72.52 C ATOM 1085 O ALA A 68 -19.460 -14.246 -17.999 1.00 22.44 O ATOM 1086 CB ALA A 68 -20.118 -16.989 -16.177 1.00 51.13 C ATOM 0 H ALA A 68 -21.032 -18.219 -18.104 1.00 31.24 H new ATOM 0 HA ALA A 68 -21.398 -15.586 -17.160 1.00 3.31 H new ATOM 0 HB1 ALA A 68 -19.713 -16.256 -15.479 1.00 51.13 H new ATOM 0 HB2 ALA A 68 -20.952 -17.513 -15.710 1.00 51.13 H new ATOM 0 HB3 ALA A 68 -19.341 -17.707 -16.441 1.00 51.13 H new ATOM 1092 N ILE A 69 -18.516 -16.179 -18.663 1.00 23.31 N ATOM 1093 CA ILE A 69 -17.378 -15.530 -19.302 1.00 43.21 C ATOM 1094 C ILE A 69 -17.823 -14.679 -20.485 1.00 41.42 C ATOM 1095 O ILE A 69 -17.227 -13.642 -20.777 1.00 75.25 O ATOM 1096 CB ILE A 69 -16.342 -16.561 -19.787 1.00 63.42 C ATOM 1097 CG1 ILE A 69 -15.824 -17.390 -18.609 1.00 51.31 C ATOM 1098 CG2 ILE A 69 -15.191 -15.862 -20.495 1.00 63.23 C ATOM 1099 CD1 ILE A 69 -16.562 -18.697 -18.421 1.00 14.34 C ATOM 0 H ILE A 69 -18.509 -17.197 -18.722 1.00 23.31 H new ATOM 0 HA ILE A 69 -16.917 -14.889 -18.550 1.00 43.21 H new ATOM 0 HB ILE A 69 -16.825 -17.233 -20.496 1.00 63.42 H new ATOM 0 HG12 ILE A 69 -14.765 -17.598 -18.759 1.00 51.31 H new ATOM 0 HG13 ILE A 69 -15.906 -16.801 -17.696 1.00 51.31 H new ATOM 0 HG21 ILE A 69 -14.467 -16.604 -20.832 1.00 63.23 H new ATOM 0 HG22 ILE A 69 -15.573 -15.311 -21.355 1.00 63.23 H new ATOM 0 HG23 ILE A 69 -14.707 -15.169 -19.806 1.00 63.23 H new ATOM 0 HD11 ILE A 69 -16.143 -19.232 -17.569 1.00 14.34 H new ATOM 0 HD12 ILE A 69 -17.618 -18.496 -18.239 1.00 14.34 H new ATOM 0 HD13 ILE A 69 -16.458 -19.306 -19.319 1.00 14.34 H new ATOM 1111 N ALA A 70 -18.876 -15.123 -21.164 1.00 52.31 N ATOM 1112 CA ALA A 70 -19.405 -14.399 -22.314 1.00 32.53 C ATOM 1113 C ALA A 70 -19.940 -13.032 -21.903 1.00 44.12 C ATOM 1114 O ALA A 70 -20.002 -12.110 -22.716 1.00 43.14 O ATOM 1115 CB ALA A 70 -20.497 -15.213 -22.993 1.00 33.14 C ATOM 0 H ALA A 70 -19.380 -15.981 -20.938 1.00 52.31 H new ATOM 0 HA ALA A 70 -18.590 -14.244 -23.021 1.00 32.53 H new ATOM 0 HB1 ALA A 70 -20.883 -14.661 -23.850 1.00 33.14 H new ATOM 0 HB2 ALA A 70 -20.085 -16.164 -23.330 1.00 33.14 H new ATOM 0 HB3 ALA A 70 -21.306 -15.398 -22.286 1.00 33.14 H new ATOM 1121 N TYR A 71 -20.325 -12.908 -20.639 1.00 0.03 N ATOM 1122 CA TYR A 71 -20.858 -11.653 -20.122 1.00 15.24 C ATOM 1123 C TYR A 71 -19.731 -10.684 -19.774 1.00 55.25 C ATOM 1124 O TYR A 71 -19.754 -9.520 -20.172 1.00 52.04 O ATOM 1125 CB TYR A 71 -21.721 -11.912 -18.885 1.00 51.14 C ATOM 1126 CG TYR A 71 -22.552 -10.720 -18.467 1.00 12.31 C ATOM 1127 CD1 TYR A 71 -23.336 -10.036 -19.387 1.00 70.41 C ATOM 1128 CD2 TYR A 71 -22.553 -10.278 -17.149 1.00 73.32 C ATOM 1129 CE1 TYR A 71 -24.096 -8.947 -19.009 1.00 43.34 C ATOM 1130 CE2 TYR A 71 -23.312 -9.190 -16.761 1.00 70.40 C ATOM 1131 CZ TYR A 71 -24.080 -8.527 -17.695 1.00 33.02 C ATOM 1132 OH TYR A 71 -24.837 -7.442 -17.314 1.00 20.43 O ATOM 0 H TYR A 71 -20.278 -13.661 -19.953 1.00 0.03 H new ATOM 0 HA TYR A 71 -21.474 -11.202 -20.900 1.00 15.24 H new ATOM 0 HB2 TYR A 71 -22.383 -12.754 -19.084 1.00 51.14 H new ATOM 0 HB3 TYR A 71 -21.076 -12.203 -18.056 1.00 51.14 H new ATOM 0 HD1 TYR A 71 -23.351 -10.362 -20.417 1.00 70.41 H new ATOM 0 HD2 TYR A 71 -21.950 -10.794 -16.416 1.00 73.32 H new ATOM 0 HE1 TYR A 71 -24.700 -8.427 -19.738 1.00 43.34 H new ATOM 0 HE2 TYR A 71 -23.304 -8.861 -15.732 1.00 70.40 H new ATOM 0 HH TYR A 71 -24.714 -7.278 -16.356 1.00 20.43 H new ATOM 1142 N ALA A 72 -18.745 -11.175 -19.031 1.00 72.31 N ATOM 1143 CA ALA A 72 -17.608 -10.356 -18.632 1.00 43.04 C ATOM 1144 C ALA A 72 -16.795 -9.917 -19.845 1.00 61.25 C ATOM 1145 O ALA A 72 -16.560 -8.727 -20.051 1.00 24.23 O ATOM 1146 CB ALA A 72 -16.727 -11.115 -17.651 1.00 73.51 C ATOM 0 H ALA A 72 -18.711 -12.137 -18.693 1.00 72.31 H new ATOM 0 HA ALA A 72 -17.992 -9.462 -18.141 1.00 43.04 H new ATOM 0 HB1 ALA A 72 -15.882 -10.490 -17.362 1.00 73.51 H new ATOM 0 HB2 ALA A 72 -17.307 -11.373 -16.765 1.00 73.51 H new ATOM 0 HB3 ALA A 72 -16.360 -12.027 -18.122 1.00 73.51 H new ATOM 1152 N VAL A 73 -16.368 -10.888 -20.648 1.00 10.42 N ATOM 1153 CA VAL A 73 -15.581 -10.601 -21.842 1.00 74.23 C ATOM 1154 C VAL A 73 -16.266 -9.554 -22.713 1.00 62.12 C ATOM 1155 O VAL A 73 -15.605 -8.751 -23.371 1.00 74.21 O ATOM 1156 CB VAL A 73 -15.347 -11.874 -22.678 1.00 1.03 C ATOM 1157 CG1 VAL A 73 -14.563 -11.547 -23.940 1.00 13.03 C ATOM 1158 CG2 VAL A 73 -14.627 -12.929 -21.851 1.00 43.21 C ATOM 0 H VAL A 73 -16.554 -11.879 -20.493 1.00 10.42 H new ATOM 0 HA VAL A 73 -14.620 -10.215 -21.503 1.00 74.23 H new ATOM 0 HB VAL A 73 -16.315 -12.277 -22.975 1.00 1.03 H new ATOM 0 HG11 VAL A 73 -14.407 -12.458 -24.518 1.00 13.03 H new ATOM 0 HG12 VAL A 73 -15.122 -10.828 -24.539 1.00 13.03 H new ATOM 0 HG13 VAL A 73 -13.598 -11.120 -23.668 1.00 13.03 H new ATOM 0 HG21 VAL A 73 -14.470 -13.821 -22.457 1.00 43.21 H new ATOM 0 HG22 VAL A 73 -13.664 -12.539 -21.523 1.00 43.21 H new ATOM 0 HG23 VAL A 73 -15.231 -13.183 -20.980 1.00 43.21 H new ATOM 1168 N ALA A 74 -17.595 -9.568 -22.711 1.00 71.42 N ATOM 1169 CA ALA A 74 -18.369 -8.617 -23.500 1.00 35.01 C ATOM 1170 C ALA A 74 -17.921 -7.186 -23.229 1.00 40.42 C ATOM 1171 O ALA A 74 -18.008 -6.321 -24.102 1.00 75.11 O ATOM 1172 CB ALA A 74 -19.854 -8.773 -23.203 1.00 44.11 C ATOM 0 H ALA A 74 -18.158 -10.227 -22.172 1.00 71.42 H new ATOM 0 HA ALA A 74 -18.195 -8.830 -24.555 1.00 35.01 H new ATOM 0 HB1 ALA A 74 -20.421 -8.057 -23.798 1.00 44.11 H new ATOM 0 HB2 ALA A 74 -20.171 -9.785 -23.454 1.00 44.11 H new ATOM 0 HB3 ALA A 74 -20.035 -8.588 -22.144 1.00 44.11 H new ATOM 1178 N HIS A 75 -17.441 -6.940 -22.014 1.00 34.20 N ATOM 1179 CA HIS A 75 -16.978 -5.612 -21.628 1.00 55.41 C ATOM 1180 C HIS A 75 -15.526 -5.656 -21.165 1.00 3.23 C ATOM 1181 O HIS A 75 -15.080 -4.800 -20.399 1.00 72.23 O ATOM 1182 CB HIS A 75 -17.863 -5.043 -20.519 1.00 11.54 C ATOM 1183 CG HIS A 75 -19.109 -4.383 -21.024 1.00 23.12 C ATOM 1184 ND1 HIS A 75 -19.170 -3.047 -21.358 1.00 74.04 N ATOM 1185 CD2 HIS A 75 -20.345 -4.885 -21.253 1.00 44.43 C ATOM 1186 CE1 HIS A 75 -20.391 -2.754 -21.771 1.00 34.12 C ATOM 1187 NE2 HIS A 75 -21.124 -3.852 -21.716 1.00 61.42 N ATOM 0 H HIS A 75 -17.363 -7.643 -21.280 1.00 34.20 H new ATOM 0 HA HIS A 75 -17.042 -4.964 -22.502 1.00 55.41 H new ATOM 0 HB2 HIS A 75 -18.139 -5.848 -19.837 1.00 11.54 H new ATOM 0 HB3 HIS A 75 -17.287 -4.320 -19.942 1.00 11.54 H new ATOM 0 HD2 HIS A 75 -20.660 -5.907 -21.100 1.00 44.43 H new ATOM 0 HE1 HIS A 75 -20.732 -1.783 -22.098 1.00 34.12 H new ATOM 0 HE2 HIS A 75 -22.108 -3.922 -21.975 1.00 61.42 H new ATOM 1195 N LYS A 76 -14.791 -6.658 -21.634 1.00 24.34 N ATOM 1196 CA LYS A 76 -13.387 -6.814 -21.269 1.00 74.41 C ATOM 1197 C LYS A 76 -13.212 -6.783 -19.754 1.00 73.14 C ATOM 1198 O LYS A 76 -12.299 -6.137 -19.238 1.00 53.44 O ATOM 1199 CB LYS A 76 -12.545 -5.710 -21.913 1.00 71.34 C ATOM 1200 CG LYS A 76 -12.582 -5.725 -23.432 1.00 12.22 C ATOM 1201 CD LYS A 76 -11.572 -6.703 -24.005 1.00 32.01 C ATOM 1202 CE LYS A 76 -11.920 -7.090 -25.434 1.00 63.34 C ATOM 1203 NZ LYS A 76 -11.479 -6.057 -26.412 1.00 4.00 N ATOM 0 H LYS A 76 -15.144 -7.375 -22.268 1.00 24.34 H new ATOM 0 HA LYS A 76 -13.048 -7.782 -21.637 1.00 74.41 H new ATOM 0 HB2 LYS A 76 -12.898 -4.742 -21.559 1.00 71.34 H new ATOM 0 HB3 LYS A 76 -11.512 -5.813 -21.582 1.00 71.34 H new ATOM 0 HG2 LYS A 76 -13.583 -5.995 -23.770 1.00 12.22 H new ATOM 0 HG3 LYS A 76 -12.376 -4.724 -23.812 1.00 12.22 H new ATOM 0 HD2 LYS A 76 -10.578 -6.257 -23.979 1.00 32.01 H new ATOM 0 HD3 LYS A 76 -11.537 -7.597 -23.383 1.00 32.01 H new ATOM 0 HE2 LYS A 76 -11.451 -8.043 -25.676 1.00 63.34 H new ATOM 0 HE3 LYS A 76 -12.997 -7.234 -25.519 1.00 63.34 H new ATOM 0 HZ1 LYS A 76 -11.735 -6.358 -27.374 1.00 4.00 H new ATOM 0 HZ2 LYS A 76 -11.946 -5.153 -26.197 1.00 4.00 H new ATOM 0 HZ3 LYS A 76 -10.448 -5.937 -26.349 1.00 4.00 H new ATOM 1217 N ILE A 77 -14.091 -7.485 -19.047 1.00 12.44 N ATOM 1218 CA ILE A 77 -14.031 -7.539 -17.591 1.00 3.21 C ATOM 1219 C ILE A 77 -13.260 -8.766 -17.118 1.00 13.21 C ATOM 1220 O ILE A 77 -13.386 -9.849 -17.690 1.00 11.22 O ATOM 1221 CB ILE A 77 -15.441 -7.560 -16.970 1.00 63.23 C ATOM 1222 CG1 ILE A 77 -16.235 -6.329 -17.412 1.00 64.43 C ATOM 1223 CG2 ILE A 77 -15.350 -7.623 -15.453 1.00 50.15 C ATOM 1224 CD1 ILE A 77 -17.705 -6.402 -17.064 1.00 21.22 C ATOM 0 H ILE A 77 -14.853 -8.024 -19.458 1.00 12.44 H new ATOM 0 HA ILE A 77 -13.512 -6.639 -17.262 1.00 3.21 H new ATOM 0 HB ILE A 77 -15.964 -8.450 -17.320 1.00 63.23 H new ATOM 0 HG12 ILE A 77 -15.804 -5.442 -16.948 1.00 64.43 H new ATOM 0 HG13 ILE A 77 -16.131 -6.207 -18.490 1.00 64.43 H new ATOM 0 HG21 ILE A 77 -16.354 -7.637 -15.029 1.00 50.15 H new ATOM 0 HG22 ILE A 77 -14.818 -8.528 -15.158 1.00 50.15 H new ATOM 0 HG23 ILE A 77 -14.812 -6.749 -15.084 1.00 50.15 H new ATOM 0 HD11 ILE A 77 -18.205 -5.496 -17.407 1.00 21.22 H new ATOM 0 HD12 ILE A 77 -18.151 -7.270 -17.550 1.00 21.22 H new ATOM 0 HD13 ILE A 77 -17.819 -6.493 -15.984 1.00 21.22 H new ATOM 1236 N ASP A 78 -12.464 -8.589 -16.069 1.00 33.31 N ATOM 1237 CA ASP A 78 -11.675 -9.684 -15.516 1.00 3.04 C ATOM 1238 C ASP A 78 -12.566 -10.679 -14.780 1.00 14.54 C ATOM 1239 O ASP A 78 -13.063 -10.394 -13.690 1.00 11.12 O ATOM 1240 CB ASP A 78 -10.604 -9.140 -14.568 1.00 33.21 C ATOM 1241 CG ASP A 78 -9.316 -8.793 -15.287 1.00 64.21 C ATOM 1242 OD1 ASP A 78 -8.604 -9.726 -15.713 1.00 73.42 O ATOM 1243 OD2 ASP A 78 -9.020 -7.588 -15.425 1.00 70.15 O ATOM 0 H ASP A 78 -12.348 -7.699 -15.585 1.00 33.31 H new ATOM 0 HA ASP A 78 -11.189 -10.203 -16.342 1.00 3.04 H new ATOM 0 HB2 ASP A 78 -10.986 -8.252 -14.064 1.00 33.21 H new ATOM 0 HB3 ASP A 78 -10.397 -9.880 -13.795 1.00 33.21 H new ATOM 1248 N TYR A 79 -12.764 -11.845 -15.382 1.00 74.52 N ATOM 1249 CA TYR A 79 -13.599 -12.882 -14.786 1.00 23.44 C ATOM 1250 C TYR A 79 -12.743 -13.953 -14.117 1.00 45.21 C ATOM 1251 O TYR A 79 -11.727 -14.385 -14.662 1.00 44.24 O ATOM 1252 CB TYR A 79 -14.494 -13.521 -15.849 1.00 42.32 C ATOM 1253 CG TYR A 79 -13.726 -14.164 -16.981 1.00 64.13 C ATOM 1254 CD1 TYR A 79 -13.296 -15.483 -16.894 1.00 50.44 C ATOM 1255 CD2 TYR A 79 -13.427 -13.453 -18.137 1.00 41.31 C ATOM 1256 CE1 TYR A 79 -12.593 -16.074 -17.927 1.00 14.42 C ATOM 1257 CE2 TYR A 79 -12.726 -14.036 -19.174 1.00 63.31 C ATOM 1258 CZ TYR A 79 -12.311 -15.347 -19.064 1.00 71.12 C ATOM 1259 OH TYR A 79 -11.611 -15.933 -20.094 1.00 3.41 O ATOM 0 H TYR A 79 -12.358 -12.097 -16.283 1.00 74.52 H new ATOM 0 HA TYR A 79 -14.226 -12.415 -14.026 1.00 23.44 H new ATOM 0 HB2 TYR A 79 -15.125 -14.273 -15.376 1.00 42.32 H new ATOM 0 HB3 TYR A 79 -15.158 -12.760 -16.258 1.00 42.32 H new ATOM 0 HD1 TYR A 79 -13.515 -16.055 -16.005 1.00 50.44 H new ATOM 0 HD2 TYR A 79 -13.749 -12.426 -18.226 1.00 41.31 H new ATOM 0 HE1 TYR A 79 -12.266 -17.100 -17.844 1.00 14.42 H new ATOM 0 HE2 TYR A 79 -12.504 -13.469 -20.066 1.00 63.31 H new ATOM 0 HH TYR A 79 -11.497 -15.286 -20.821 1.00 3.41 H new ATOM 1269 N THR A 80 -13.161 -14.379 -12.929 1.00 65.40 N ATOM 1270 CA THR A 80 -12.434 -15.399 -12.183 1.00 43.14 C ATOM 1271 C THR A 80 -13.286 -16.646 -11.983 1.00 53.43 C ATOM 1272 O THR A 80 -14.482 -16.555 -11.705 1.00 14.12 O ATOM 1273 CB THR A 80 -11.982 -14.873 -10.808 1.00 34.53 C ATOM 1274 OG1 THR A 80 -11.424 -15.941 -10.034 1.00 73.22 O ATOM 1275 CG2 THR A 80 -13.149 -14.251 -10.056 1.00 21.42 C ATOM 0 H THR A 80 -14.000 -14.033 -12.463 1.00 65.40 H new ATOM 0 HA THR A 80 -11.554 -15.655 -12.773 1.00 43.14 H new ATOM 0 HB THR A 80 -11.224 -14.106 -10.968 1.00 34.53 H new ATOM 0 HG1 THR A 80 -11.137 -15.598 -9.162 1.00 73.22 H new ATOM 0 HG21 THR A 80 -12.805 -13.887 -9.088 1.00 21.42 H new ATOM 0 HG22 THR A 80 -13.553 -13.420 -10.634 1.00 21.42 H new ATOM 0 HG23 THR A 80 -13.926 -15.000 -9.907 1.00 21.42 H new ATOM 1283 N VAL A 81 -12.664 -17.812 -12.126 1.00 42.13 N ATOM 1284 CA VAL A 81 -13.366 -19.079 -11.959 1.00 10.33 C ATOM 1285 C VAL A 81 -13.150 -19.647 -10.561 1.00 3.03 C ATOM 1286 O VAL A 81 -12.018 -19.909 -10.153 1.00 12.02 O ATOM 1287 CB VAL A 81 -12.905 -20.117 -12.999 1.00 31.20 C ATOM 1288 CG1 VAL A 81 -13.372 -19.722 -14.392 1.00 14.23 C ATOM 1289 CG2 VAL A 81 -11.392 -20.275 -12.960 1.00 40.14 C ATOM 0 H VAL A 81 -11.675 -17.905 -12.357 1.00 42.13 H new ATOM 0 HA VAL A 81 -14.427 -18.875 -12.105 1.00 10.33 H new ATOM 0 HB VAL A 81 -13.354 -21.078 -12.750 1.00 31.20 H new ATOM 0 HG11 VAL A 81 -13.037 -20.467 -15.113 1.00 14.23 H new ATOM 0 HG12 VAL A 81 -14.460 -19.665 -14.408 1.00 14.23 H new ATOM 0 HG13 VAL A 81 -12.954 -18.750 -14.654 1.00 14.23 H new ATOM 0 HG21 VAL A 81 -11.084 -21.012 -13.701 1.00 40.14 H new ATOM 0 HG22 VAL A 81 -10.920 -19.318 -13.182 1.00 40.14 H new ATOM 0 HG23 VAL A 81 -11.086 -20.608 -11.968 1.00 40.14 H new ATOM 1299 N LEU A 82 -14.242 -19.835 -9.829 1.00 55.34 N ATOM 1300 CA LEU A 82 -14.175 -20.372 -8.475 1.00 61.31 C ATOM 1301 C LEU A 82 -14.720 -21.796 -8.426 1.00 51.22 C ATOM 1302 O LEU A 82 -15.905 -22.025 -8.672 1.00 61.41 O ATOM 1303 CB LEU A 82 -14.957 -19.480 -7.511 1.00 74.33 C ATOM 1304 CG LEU A 82 -14.289 -18.161 -7.124 1.00 23.24 C ATOM 1305 CD1 LEU A 82 -15.326 -17.155 -6.651 1.00 54.53 C ATOM 1306 CD2 LEU A 82 -13.238 -18.391 -6.047 1.00 73.40 C ATOM 0 H LEU A 82 -15.186 -19.623 -10.151 1.00 55.34 H new ATOM 0 HA LEU A 82 -13.128 -20.393 -8.171 1.00 61.31 H new ATOM 0 HB2 LEU A 82 -15.925 -19.256 -7.959 1.00 74.33 H new ATOM 0 HB3 LEU A 82 -15.151 -20.046 -6.600 1.00 74.33 H new ATOM 0 HG LEU A 82 -13.795 -17.755 -8.006 1.00 23.24 H new ATOM 0 HD11 LEU A 82 -14.831 -16.222 -6.380 1.00 54.53 H new ATOM 0 HD12 LEU A 82 -16.042 -16.967 -7.451 1.00 54.53 H new ATOM 0 HD13 LEU A 82 -15.850 -17.554 -5.782 1.00 54.53 H new ATOM 0 HD21 LEU A 82 -12.773 -17.441 -5.784 1.00 73.40 H new ATOM 0 HD22 LEU A 82 -13.710 -18.821 -5.164 1.00 73.40 H new ATOM 0 HD23 LEU A 82 -12.477 -19.076 -6.421 1.00 73.40 H new