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 30:sc= -0.253 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= -0.15 X(o=-0.15,f=-0.032) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0166) 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 -15.565 -6.285 -11.796 1.00 60.32 N ATOM 125 CA ARG A 9 -15.055 -7.640 -11.968 1.00 64.22 C ATOM 126 C ARG A 9 -16.183 -8.662 -11.870 1.00 11.12 C ATOM 127 O ARG A 9 -17.162 -8.455 -11.152 1.00 2.01 O ATOM 128 CB ARG A 9 -13.985 -7.942 -10.917 1.00 61.34 C ATOM 129 CG ARG A 9 -12.701 -7.154 -11.112 1.00 42.14 C ATOM 130 CD ARG A 9 -11.929 -7.016 -9.809 1.00 4.13 C ATOM 131 NE ARG A 9 -11.655 -8.312 -9.195 1.00 73.43 N ATOM 132 CZ ARG A 9 -10.705 -8.510 -8.288 1.00 32.14 C ATOM 133 NH1 ARG A 9 -9.943 -7.500 -7.891 1.00 31.54 N ATOM 134 NH2 ARG A 9 -10.517 -9.720 -7.775 1.00 11.41 N ATOM 0 HA ARG A 9 -14.610 -7.711 -12.960 1.00 64.22 H new ATOM 0 HB2 ARG A 9 -14.388 -7.725 -9.928 1.00 61.34 H new ATOM 0 HB3 ARG A 9 -13.755 -9.007 -10.941 1.00 61.34 H new ATOM 0 HG2 ARG A 9 -12.077 -7.651 -11.855 1.00 42.14 H new ATOM 0 HG3 ARG A 9 -12.936 -6.164 -11.504 1.00 42.14 H new ATOM 0 HD2 ARG A 9 -10.989 -6.498 -9.998 1.00 4.13 H new ATOM 0 HD3 ARG A 9 -12.498 -6.399 -9.114 1.00 4.13 H new ATOM 0 HE ARG A 9 -12.225 -9.109 -9.478 1.00 73.43 H new ATOM 0 HH11 ARG A 9 -10.086 -6.569 -8.282 1.00 31.54 H new ATOM 0 HH12 ARG A 9 -9.214 -7.654 -7.194 1.00 31.54 H new ATOM 0 HH21 ARG A 9 -11.102 -10.499 -8.077 1.00 11.41 H new ATOM 0 HH22 ARG A 9 -9.787 -9.871 -7.079 1.00 11.41 H new ATOM 148 N ALA A 10 -16.040 -9.766 -12.596 1.00 12.33 N ATOM 149 CA ALA A 10 -17.045 -10.822 -12.589 1.00 53.54 C ATOM 150 C ALA A 10 -16.608 -11.992 -11.714 1.00 54.32 C ATOM 151 O ALA A 10 -15.583 -12.622 -11.972 1.00 22.11 O ATOM 152 CB ALA A 10 -17.323 -11.295 -14.008 1.00 13.32 C ATOM 0 H ALA A 10 -15.237 -9.952 -13.197 1.00 12.33 H new ATOM 0 HA ALA A 10 -17.963 -10.412 -12.168 1.00 53.54 H new ATOM 0 HB1 ALA A 10 -18.075 -12.084 -13.988 1.00 13.32 H new ATOM 0 HB2 ALA A 10 -17.689 -10.460 -14.605 1.00 13.32 H new ATOM 0 HB3 ALA A 10 -16.404 -11.681 -14.449 1.00 13.32 H new ATOM 158 N ARG A 11 -17.392 -12.276 -10.680 1.00 2.33 N ATOM 159 CA ARG A 11 -17.084 -13.369 -9.765 1.00 21.02 C ATOM 160 C ARG A 11 -17.838 -14.635 -10.158 1.00 73.31 C ATOM 161 O ARG A 11 -19.036 -14.761 -9.900 1.00 20.14 O ATOM 162 CB ARG A 11 -17.436 -12.977 -8.329 1.00 61.04 C ATOM 163 CG ARG A 11 -16.815 -11.662 -7.887 1.00 44.32 C ATOM 164 CD ARG A 11 -16.591 -11.630 -6.383 1.00 24.41 C ATOM 165 NE ARG A 11 -17.848 -11.594 -5.643 1.00 33.21 N ATOM 166 CZ ARG A 11 -17.957 -11.931 -4.362 1.00 74.24 C ATOM 167 NH1 ARG A 11 -16.889 -12.326 -3.684 1.00 31.42 N ATOM 168 NH2 ARG A 11 -19.137 -11.872 -3.757 1.00 43.11 N ATOM 0 H ARG A 11 -18.245 -11.765 -10.454 1.00 2.33 H new ATOM 0 HA ARG A 11 -16.014 -13.570 -9.826 1.00 21.02 H new ATOM 0 HB2 ARG A 11 -18.520 -12.907 -8.236 1.00 61.04 H new ATOM 0 HB3 ARG A 11 -17.109 -13.768 -7.655 1.00 61.04 H new ATOM 0 HG2 ARG A 11 -15.865 -11.516 -8.401 1.00 44.32 H new ATOM 0 HG3 ARG A 11 -17.464 -10.836 -8.177 1.00 44.32 H new ATOM 0 HD2 ARG A 11 -16.019 -12.508 -6.083 1.00 24.41 H new ATOM 0 HD3 ARG A 11 -15.993 -10.756 -6.124 1.00 24.41 H new ATOM 0 HE ARG A 11 -18.689 -11.294 -6.136 1.00 33.21 H new ATOM 0 HH11 ARG A 11 -15.980 -12.372 -4.145 1.00 31.42 H new ATOM 0 HH12 ARG A 11 -16.976 -12.584 -2.701 1.00 31.42 H new ATOM 0 HH21 ARG A 11 -19.961 -11.568 -4.275 1.00 43.11 H new ATOM 0 HH22 ARG A 11 -19.220 -12.131 -2.774 1.00 43.11 H new ATOM 182 N ILE A 12 -17.131 -15.570 -10.785 1.00 13.43 N ATOM 183 CA ILE A 12 -17.735 -16.826 -11.212 1.00 44.34 C ATOM 184 C ILE A 12 -17.331 -17.972 -10.290 1.00 53.55 C ATOM 185 O ILE A 12 -16.156 -18.135 -9.964 1.00 22.43 O ATOM 186 CB ILE A 12 -17.334 -17.179 -12.657 1.00 71.42 C ATOM 187 CG1 ILE A 12 -17.698 -16.035 -13.604 1.00 61.35 C ATOM 188 CG2 ILE A 12 -18.009 -18.471 -13.093 1.00 35.42 C ATOM 189 CD1 ILE A 12 -17.065 -16.159 -14.973 1.00 51.05 C ATOM 0 H ILE A 12 -16.140 -15.481 -11.008 1.00 13.43 H new ATOM 0 HA ILE A 12 -18.815 -16.689 -11.165 1.00 44.34 H new ATOM 0 HB ILE A 12 -16.255 -17.326 -12.694 1.00 71.42 H new ATOM 0 HG12 ILE A 12 -18.782 -15.997 -13.716 1.00 61.35 H new ATOM 0 HG13 ILE A 12 -17.391 -15.091 -13.155 1.00 61.35 H new ATOM 0 HG21 ILE A 12 -17.716 -18.707 -14.116 1.00 35.42 H new ATOM 0 HG22 ILE A 12 -17.704 -19.282 -12.432 1.00 35.42 H new ATOM 0 HG23 ILE A 12 -19.091 -18.351 -13.044 1.00 35.42 H new ATOM 0 HD11 ILE A 12 -17.367 -15.314 -15.591 1.00 51.05 H new ATOM 0 HD12 ILE A 12 -15.980 -16.166 -14.873 1.00 51.05 H new ATOM 0 HD13 ILE A 12 -17.392 -17.087 -15.442 1.00 51.05 H new ATOM 201 N TYR A 13 -18.314 -18.762 -9.874 1.00 71.52 N ATOM 202 CA TYR A 13 -18.063 -19.893 -8.989 1.00 52.34 C ATOM 203 C TYR A 13 -19.090 -20.999 -9.214 1.00 4.11 C ATOM 204 O TYR A 13 -20.235 -20.736 -9.583 1.00 4.52 O ATOM 205 CB TYR A 13 -18.096 -19.441 -7.528 1.00 10.31 C ATOM 206 CG TYR A 13 -19.372 -18.726 -7.144 1.00 75.42 C ATOM 207 CD1 TYR A 13 -19.549 -17.377 -7.427 1.00 20.43 C ATOM 208 CD2 TYR A 13 -20.401 -19.400 -6.497 1.00 3.41 C ATOM 209 CE1 TYR A 13 -20.712 -16.721 -7.077 1.00 11.55 C ATOM 210 CE2 TYR A 13 -21.569 -18.751 -6.145 1.00 22.12 C ATOM 211 CZ TYR A 13 -21.720 -17.412 -6.437 1.00 42.01 C ATOM 212 OH TYR A 13 -22.881 -16.761 -6.086 1.00 31.22 O ATOM 0 H TYR A 13 -19.292 -18.640 -10.135 1.00 71.52 H new ATOM 0 HA TYR A 13 -17.073 -20.289 -9.218 1.00 52.34 H new ATOM 0 HB2 TYR A 13 -17.969 -20.311 -6.884 1.00 10.31 H new ATOM 0 HB3 TYR A 13 -17.249 -18.781 -7.342 1.00 10.31 H new ATOM 0 HD1 TYR A 13 -18.763 -16.833 -7.929 1.00 20.43 H new ATOM 0 HD2 TYR A 13 -20.286 -20.449 -6.265 1.00 3.41 H new ATOM 0 HE1 TYR A 13 -20.832 -15.672 -7.303 1.00 11.55 H new ATOM 0 HE2 TYR A 13 -22.359 -19.290 -5.644 1.00 22.12 H new ATOM 0 HH TYR A 13 -23.054 -16.036 -6.722 1.00 31.22 H new ATOM 468 N TRP A 30 -23.717 -22.627 -13.063 1.00 74.44 N ATOM 469 CA TRP A 30 -22.652 -21.704 -12.689 1.00 20.23 C ATOM 470 C TRP A 30 -23.227 -20.401 -12.145 1.00 62.22 C ATOM 471 O TRP A 30 -24.220 -19.887 -12.658 1.00 74.21 O ATOM 472 CB TRP A 30 -21.752 -21.417 -13.892 1.00 2.14 C ATOM 473 CG TRP A 30 -20.829 -22.549 -14.229 1.00 34.33 C ATOM 474 CD1 TRP A 30 -21.103 -23.617 -15.035 1.00 4.50 C ATOM 475 CD2 TRP A 30 -19.487 -22.727 -13.765 1.00 35.31 C ATOM 476 NE1 TRP A 30 -20.010 -24.448 -15.102 1.00 13.31 N ATOM 477 CE2 TRP A 30 -19.006 -23.925 -14.331 1.00 44.21 C ATOM 478 CE3 TRP A 30 -18.644 -21.992 -12.928 1.00 10.11 C ATOM 479 CZ2 TRP A 30 -17.721 -24.400 -14.085 1.00 1.41 C ATOM 480 CZ3 TRP A 30 -17.369 -22.466 -12.684 1.00 42.41 C ATOM 481 CH2 TRP A 30 -16.917 -23.660 -13.262 1.00 65.13 C ATOM 0 HA TRP A 30 -22.058 -22.172 -11.904 1.00 20.23 H new ATOM 0 HB2 TRP A 30 -22.376 -21.196 -14.758 1.00 2.14 H new ATOM 0 HB3 TRP A 30 -21.161 -20.524 -13.689 1.00 2.14 H new ATOM 0 HD1 TRP A 30 -22.040 -23.784 -15.545 1.00 4.50 H new ATOM 0 HE1 TRP A 30 -19.956 -25.314 -15.639 1.00 13.31 H new ATOM 0 HE3 TRP A 30 -18.983 -21.070 -12.480 1.00 10.11 H new ATOM 0 HZ2 TRP A 30 -17.371 -25.321 -14.528 1.00 1.41 H new ATOM 0 HZ3 TRP A 30 -16.710 -21.907 -12.037 1.00 42.41 H new ATOM 0 HH2 TRP A 30 -15.914 -24.003 -13.054 1.00 65.13 H new ATOM 492 N LYS A 31 -22.596 -19.870 -11.103 1.00 64.42 N ATOM 493 CA LYS A 31 -23.043 -18.625 -10.491 1.00 23.12 C ATOM 494 C LYS A 31 -22.108 -17.475 -10.851 1.00 21.10 C ATOM 495 O LYS A 31 -20.886 -17.610 -10.785 1.00 71.33 O ATOM 496 CB LYS A 31 -23.116 -18.780 -8.970 1.00 53.22 C ATOM 497 CG LYS A 31 -24.279 -19.637 -8.500 1.00 65.03 C ATOM 498 CD LYS A 31 -24.792 -19.187 -7.143 1.00 3.53 C ATOM 499 CE LYS A 31 -26.270 -19.499 -6.974 1.00 41.13 C ATOM 500 NZ LYS A 31 -26.820 -18.916 -5.719 1.00 54.42 N ATOM 0 H LYS A 31 -21.773 -20.283 -10.665 1.00 64.42 H new ATOM 0 HA LYS A 31 -24.037 -18.395 -10.876 1.00 23.12 H new ATOM 0 HB2 LYS A 31 -22.185 -19.219 -8.613 1.00 53.22 H new ATOM 0 HB3 LYS A 31 -23.197 -17.792 -8.516 1.00 53.22 H new ATOM 0 HG2 LYS A 31 -25.087 -19.587 -9.230 1.00 65.03 H new ATOM 0 HG3 LYS A 31 -23.964 -20.679 -8.444 1.00 65.03 H new ATOM 0 HD2 LYS A 31 -24.223 -19.681 -6.356 1.00 3.53 H new ATOM 0 HD3 LYS A 31 -24.630 -18.115 -7.029 1.00 3.53 H new ATOM 0 HE2 LYS A 31 -26.823 -19.109 -7.828 1.00 41.13 H new ATOM 0 HE3 LYS A 31 -26.415 -20.579 -6.966 1.00 41.13 H new ATOM 0 HZ1 LYS A 31 -27.830 -19.151 -5.641 1.00 54.42 H new ATOM 0 HZ2 LYS A 31 -26.309 -19.307 -4.902 1.00 54.42 H new ATOM 0 HZ3 LYS A 31 -26.705 -17.882 -5.737 1.00 54.42 H new ATOM 514 N LEU A 32 -22.691 -16.343 -11.231 1.00 31.24 N ATOM 515 CA LEU A 32 -21.910 -15.168 -11.600 1.00 65.02 C ATOM 516 C LEU A 32 -22.337 -13.952 -10.785 1.00 2.40 C ATOM 517 O LEU A 32 -23.511 -13.583 -10.771 1.00 64.51 O ATOM 518 CB LEU A 32 -22.067 -14.875 -13.094 1.00 32.14 C ATOM 519 CG LEU A 32 -21.309 -13.657 -13.623 1.00 1.41 C ATOM 520 CD1 LEU A 32 -22.111 -12.386 -13.388 1.00 2.24 C ATOM 521 CD2 LEU A 32 -19.939 -13.555 -12.967 1.00 34.40 C ATOM 0 H LEU A 32 -23.701 -16.214 -11.292 1.00 31.24 H new ATOM 0 HA LEU A 32 -20.862 -15.377 -11.385 1.00 65.02 H new ATOM 0 HB2 LEU A 32 -21.739 -15.752 -13.652 1.00 32.14 H new ATOM 0 HB3 LEU A 32 -23.127 -14.739 -13.308 1.00 32.14 H new ATOM 0 HG LEU A 32 -21.167 -13.779 -14.697 1.00 1.41 H new ATOM 0 HD11 LEU A 32 -21.556 -11.530 -13.771 1.00 2.24 H new ATOM 0 HD12 LEU A 32 -23.068 -12.459 -13.905 1.00 2.24 H new ATOM 0 HD13 LEU A 32 -22.285 -12.258 -12.320 1.00 2.24 H new ATOM 0 HD21 LEU A 32 -19.414 -12.683 -13.355 1.00 34.40 H new ATOM 0 HD22 LEU A 32 -20.059 -13.456 -11.888 1.00 34.40 H new ATOM 0 HD23 LEU A 32 -19.362 -14.453 -13.187 1.00 34.40 H new ATOM 533 N GLU A 33 -21.376 -13.332 -10.107 1.00 3.02 N ATOM 534 CA GLU A 33 -21.653 -12.156 -9.290 1.00 64.33 C ATOM 535 C GLU A 33 -20.677 -11.028 -9.612 1.00 53.41 C ATOM 536 O GLU A 33 -19.521 -11.052 -9.190 1.00 71.44 O ATOM 537 CB GLU A 33 -21.569 -12.510 -7.804 1.00 50.20 C ATOM 538 CG GLU A 33 -21.636 -11.300 -6.887 1.00 31.11 C ATOM 539 CD GLU A 33 -22.846 -10.428 -7.158 1.00 12.10 C ATOM 540 OE1 GLU A 33 -22.831 -9.689 -8.165 1.00 12.13 O ATOM 541 OE2 GLU A 33 -23.809 -10.484 -6.363 1.00 63.32 O ATOM 0 H GLU A 33 -20.399 -13.625 -10.107 1.00 3.02 H new ATOM 0 HA GLU A 33 -22.663 -11.815 -9.519 1.00 64.33 H new ATOM 0 HB2 GLU A 33 -22.383 -13.190 -7.554 1.00 50.20 H new ATOM 0 HB3 GLU A 33 -20.638 -13.045 -7.618 1.00 50.20 H new ATOM 0 HG2 GLU A 33 -21.660 -11.636 -5.850 1.00 31.11 H new ATOM 0 HG3 GLU A 33 -20.730 -10.706 -7.009 1.00 31.11 H new ATOM 548 N PHE A 34 -21.153 -10.040 -10.363 1.00 3.53 N ATOM 549 CA PHE A 34 -20.323 -8.902 -10.743 1.00 43.54 C ATOM 550 C PHE A 34 -20.350 -7.824 -9.664 1.00 52.10 C ATOM 551 O PHE A 34 -21.389 -7.562 -9.060 1.00 33.33 O ATOM 552 CB PHE A 34 -20.800 -8.318 -12.074 1.00 72.13 C ATOM 553 CG PHE A 34 -22.097 -7.567 -11.969 1.00 21.33 C ATOM 554 CD1 PHE A 34 -23.306 -8.244 -11.953 1.00 32.01 C ATOM 555 CD2 PHE A 34 -22.107 -6.184 -11.885 1.00 63.25 C ATOM 556 CE1 PHE A 34 -24.500 -7.556 -11.857 1.00 1.25 C ATOM 557 CE2 PHE A 34 -23.298 -5.489 -11.790 1.00 34.44 C ATOM 558 CZ PHE A 34 -24.497 -6.178 -11.773 1.00 41.53 C ATOM 0 H PHE A 34 -22.108 -10.004 -10.720 1.00 3.53 H new ATOM 0 HA PHE A 34 -19.297 -9.254 -10.855 1.00 43.54 H new ATOM 0 HB2 PHE A 34 -20.033 -7.649 -12.464 1.00 72.13 H new ATOM 0 HB3 PHE A 34 -20.915 -9.126 -12.796 1.00 72.13 H new ATOM 0 HD1 PHE A 34 -23.315 -9.322 -12.016 1.00 32.01 H new ATOM 0 HD2 PHE A 34 -21.173 -5.642 -11.894 1.00 63.25 H new ATOM 0 HE1 PHE A 34 -25.435 -8.096 -11.848 1.00 1.25 H new ATOM 0 HE2 PHE A 34 -23.292 -4.411 -11.729 1.00 34.44 H new ATOM 0 HZ PHE A 34 -25.430 -5.639 -11.694 1.00 41.53 H new ATOM 568 N GLU A 35 -19.198 -7.203 -9.427 1.00 72.00 N ATOM 569 CA GLU A 35 -19.090 -6.155 -8.418 1.00 63.45 C ATOM 570 C GLU A 35 -20.059 -5.013 -8.714 1.00 34.54 C ATOM 571 O GLU A 35 -20.540 -4.848 -9.835 1.00 44.11 O ATOM 572 CB GLU A 35 -17.658 -5.620 -8.361 1.00 12.43 C ATOM 573 CG GLU A 35 -16.752 -6.404 -7.427 1.00 60.51 C ATOM 574 CD GLU A 35 -17.281 -6.456 -6.007 1.00 11.00 C ATOM 575 OE1 GLU A 35 -16.948 -5.549 -5.215 1.00 62.32 O ATOM 576 OE2 GLU A 35 -18.030 -7.403 -5.687 1.00 60.10 O ATOM 0 H GLU A 35 -18.328 -7.407 -9.919 1.00 72.00 H new ATOM 0 HA GLU A 35 -19.349 -6.587 -7.451 1.00 63.45 H new ATOM 0 HB2 GLU A 35 -17.233 -5.636 -9.365 1.00 12.43 H new ATOM 0 HB3 GLU A 35 -17.681 -4.578 -8.042 1.00 12.43 H new ATOM 0 HG2 GLU A 35 -16.638 -7.420 -7.806 1.00 60.51 H new ATOM 0 HG3 GLU A 35 -15.760 -5.952 -7.425 1.00 60.51 H new ATOM 946 N LEU A 60 -26.215 -12.940 -10.365 1.00 14.21 N ATOM 947 CA LEU A 60 -26.594 -13.513 -11.652 1.00 23.02 C ATOM 948 C LEU A 60 -26.396 -15.025 -11.653 1.00 62.24 C ATOM 949 O LEU A 60 -25.479 -15.542 -11.015 1.00 51.32 O ATOM 950 CB LEU A 60 -25.773 -12.878 -12.776 1.00 71.04 C ATOM 951 CG LEU A 60 -26.418 -11.689 -13.489 1.00 35.53 C ATOM 952 CD1 LEU A 60 -25.477 -11.121 -14.539 1.00 65.40 C ATOM 953 CD2 LEU A 60 -27.740 -12.100 -14.122 1.00 24.31 C ATOM 0 HA LEU A 60 -27.650 -13.303 -11.819 1.00 23.02 H new ATOM 0 HB2 LEU A 60 -24.818 -12.554 -12.363 1.00 71.04 H new ATOM 0 HB3 LEU A 60 -25.555 -13.646 -13.518 1.00 71.04 H new ATOM 0 HG LEU A 60 -26.617 -10.912 -12.751 1.00 35.53 H new ATOM 0 HD11 LEU A 60 -25.954 -10.276 -15.036 1.00 65.40 H new ATOM 0 HD12 LEU A 60 -24.556 -10.788 -14.060 1.00 65.40 H new ATOM 0 HD13 LEU A 60 -25.246 -11.891 -15.275 1.00 65.40 H new ATOM 0 HD21 LEU A 60 -28.185 -11.241 -14.625 1.00 24.31 H new ATOM 0 HD22 LEU A 60 -27.565 -12.895 -14.847 1.00 24.31 H new ATOM 0 HD23 LEU A 60 -28.418 -12.459 -13.348 1.00 24.31 H new ATOM 965 N SER A 61 -27.261 -15.729 -12.377 1.00 65.11 N ATOM 966 CA SER A 61 -27.181 -17.183 -12.462 1.00 75.21 C ATOM 967 C SER A 61 -27.138 -17.641 -13.916 1.00 51.23 C ATOM 968 O SER A 61 -28.040 -17.344 -14.700 1.00 35.44 O ATOM 969 CB SER A 61 -28.375 -17.821 -11.749 1.00 31.41 C ATOM 970 OG SER A 61 -28.681 -17.133 -10.548 1.00 63.15 O ATOM 0 H SER A 61 -28.025 -15.316 -12.913 1.00 65.11 H new ATOM 0 HA SER A 61 -26.261 -17.502 -11.973 1.00 75.21 H new ATOM 0 HB2 SER A 61 -29.243 -17.812 -12.408 1.00 31.41 H new ATOM 0 HB3 SER A 61 -28.154 -18.865 -11.527 1.00 31.41 H new ATOM 0 HG SER A 61 -29.449 -17.560 -10.113 1.00 63.15 H new ATOM 976 N PHE A 62 -26.083 -18.367 -14.271 1.00 11.45 N ATOM 977 CA PHE A 62 -25.920 -18.866 -15.630 1.00 65.33 C ATOM 978 C PHE A 62 -25.916 -20.392 -15.652 1.00 63.43 C ATOM 979 O PHE A 62 -25.388 -21.037 -14.746 1.00 1.02 O ATOM 980 CB PHE A 62 -24.621 -18.333 -16.240 1.00 52.23 C ATOM 981 CG PHE A 62 -24.646 -16.855 -16.502 1.00 3.43 C ATOM 982 CD1 PHE A 62 -25.252 -16.349 -17.640 1.00 70.04 C ATOM 983 CD2 PHE A 62 -24.062 -15.970 -15.610 1.00 42.11 C ATOM 984 CE1 PHE A 62 -25.274 -14.989 -17.885 1.00 13.50 C ATOM 985 CE2 PHE A 62 -24.081 -14.608 -15.848 1.00 74.04 C ATOM 986 CZ PHE A 62 -24.690 -14.117 -16.987 1.00 41.11 C ATOM 0 H PHE A 62 -25.328 -18.623 -13.635 1.00 11.45 H new ATOM 0 HA PHE A 62 -26.764 -18.513 -16.223 1.00 65.33 H new ATOM 0 HB2 PHE A 62 -23.793 -18.561 -15.569 1.00 52.23 H new ATOM 0 HB3 PHE A 62 -24.426 -18.857 -17.176 1.00 52.23 H new ATOM 0 HD1 PHE A 62 -25.713 -17.025 -18.345 1.00 70.04 H new ATOM 0 HD2 PHE A 62 -23.586 -16.349 -14.718 1.00 42.11 H new ATOM 0 HE1 PHE A 62 -25.747 -14.608 -18.778 1.00 13.50 H new ATOM 0 HE2 PHE A 62 -23.621 -13.929 -15.145 1.00 74.04 H new ATOM 0 HZ PHE A 62 -24.709 -13.054 -17.175 1.00 41.11 H new ATOM 996 N THR A 63 -26.510 -20.964 -16.696 1.00 14.44 N ATOM 997 CA THR A 63 -26.578 -22.413 -16.837 1.00 11.54 C ATOM 998 C THR A 63 -25.197 -23.006 -17.095 1.00 12.21 C ATOM 999 O THR A 63 -24.781 -23.952 -16.426 1.00 1.11 O ATOM 1000 CB THR A 63 -27.522 -22.822 -17.982 1.00 60.44 C ATOM 1001 OG1 THR A 63 -28.723 -22.045 -17.929 1.00 74.25 O ATOM 1002 CG2 THR A 63 -27.866 -24.302 -17.898 1.00 41.20 C ATOM 0 H THR A 63 -26.951 -20.445 -17.456 1.00 14.44 H new ATOM 0 HA THR A 63 -26.968 -22.804 -15.897 1.00 11.54 H new ATOM 0 HB THR A 63 -27.011 -22.637 -18.927 1.00 60.44 H new ATOM 0 HG1 THR A 63 -29.317 -22.310 -18.662 1.00 74.25 H new ATOM 0 HG21 THR A 63 -28.534 -24.567 -18.717 1.00 41.20 H new ATOM 0 HG22 THR A 63 -26.953 -24.892 -17.969 1.00 41.20 H new ATOM 0 HG23 THR A 63 -28.358 -24.508 -16.947 1.00 41.20 H new ATOM 1010 N THR A 64 -24.490 -22.442 -18.070 1.00 33.40 N ATOM 1011 CA THR A 64 -23.156 -22.916 -18.417 1.00 45.14 C ATOM 1012 C THR A 64 -22.101 -21.859 -18.110 1.00 42.01 C ATOM 1013 O THR A 64 -22.418 -20.682 -17.943 1.00 15.23 O ATOM 1014 CB THR A 64 -23.065 -23.298 -19.906 1.00 10.00 C ATOM 1015 OG1 THR A 64 -23.991 -22.517 -20.670 1.00 75.42 O ATOM 1016 CG2 THR A 64 -23.358 -24.778 -20.104 1.00 40.04 C ATOM 0 H THR A 64 -24.819 -21.657 -18.633 1.00 33.40 H new ATOM 0 HA THR A 64 -22.967 -23.802 -17.810 1.00 45.14 H new ATOM 0 HB THR A 64 -22.050 -23.096 -20.249 1.00 10.00 H new ATOM 0 HG1 THR A 64 -23.926 -22.765 -21.616 1.00 75.42 H new ATOM 0 HG21 THR A 64 -23.288 -25.024 -21.164 1.00 40.04 H new ATOM 0 HG22 THR A 64 -22.634 -25.370 -19.545 1.00 40.04 H new ATOM 0 HG23 THR A 64 -24.363 -25.001 -19.745 1.00 40.04 H new ATOM 1024 N ARG A 65 -20.845 -22.288 -18.038 1.00 62.04 N ATOM 1025 CA ARG A 65 -19.743 -21.377 -17.751 1.00 4.05 C ATOM 1026 C ARG A 65 -19.547 -20.384 -18.893 1.00 2.54 C ATOM 1027 O ARG A 65 -19.411 -19.181 -18.664 1.00 74.51 O ATOM 1028 CB ARG A 65 -18.451 -22.163 -17.517 1.00 23.40 C ATOM 1029 CG ARG A 65 -18.093 -23.100 -18.661 1.00 50.32 C ATOM 1030 CD ARG A 65 -17.430 -24.370 -18.153 1.00 74.22 C ATOM 1031 NE ARG A 65 -17.807 -25.538 -18.946 1.00 24.31 N ATOM 1032 CZ ARG A 65 -17.291 -26.748 -18.762 1.00 54.10 C ATOM 1033 NH1 ARG A 65 -16.384 -26.949 -17.816 1.00 1.10 N ATOM 1034 NH2 ARG A 65 -17.684 -27.761 -19.524 1.00 11.20 N ATOM 0 H ARG A 65 -20.565 -23.259 -18.174 1.00 62.04 H new ATOM 0 HA ARG A 65 -19.991 -20.821 -16.847 1.00 4.05 H new ATOM 0 HB2 ARG A 65 -17.631 -21.461 -17.363 1.00 23.40 H new ATOM 0 HB3 ARG A 65 -18.550 -22.744 -16.600 1.00 23.40 H new ATOM 0 HG2 ARG A 65 -18.994 -23.356 -19.218 1.00 50.32 H new ATOM 0 HG3 ARG A 65 -17.423 -22.591 -19.354 1.00 50.32 H new ATOM 0 HD2 ARG A 65 -16.347 -24.249 -18.178 1.00 74.22 H new ATOM 0 HD3 ARG A 65 -17.709 -24.533 -17.112 1.00 74.22 H new ATOM 0 HE ARG A 65 -18.504 -25.418 -19.681 1.00 24.31 H new ATOM 0 HH11 ARG A 65 -16.081 -26.173 -17.227 1.00 1.10 H new ATOM 0 HH12 ARG A 65 -15.990 -27.879 -17.677 1.00 1.10 H new ATOM 0 HH21 ARG A 65 -18.383 -27.611 -20.252 1.00 11.20 H new ATOM 0 HH22 ARG A 65 -17.287 -28.690 -19.382 1.00 11.20 H new ATOM 1048 N GLU A 66 -19.532 -20.895 -20.119 1.00 44.30 N ATOM 1049 CA GLU A 66 -19.350 -20.052 -21.295 1.00 41.43 C ATOM 1050 C GLU A 66 -20.336 -18.886 -21.286 1.00 20.13 C ATOM 1051 O GLU A 66 -20.043 -17.808 -21.802 1.00 50.53 O ATOM 1052 CB GLU A 66 -19.528 -20.874 -22.573 1.00 10.00 C ATOM 1053 CG GLU A 66 -18.363 -21.806 -22.863 1.00 44.32 C ATOM 1054 CD GLU A 66 -18.264 -22.175 -24.331 1.00 20.34 C ATOM 1055 OE1 GLU A 66 -18.961 -23.123 -24.751 1.00 24.33 O ATOM 1056 OE2 GLU A 66 -17.490 -21.519 -25.058 1.00 52.42 O ATOM 0 H GLU A 66 -19.644 -21.888 -20.324 1.00 44.30 H new ATOM 0 HA GLU A 66 -18.337 -19.650 -21.269 1.00 41.43 H new ATOM 0 HB2 GLU A 66 -20.442 -21.462 -22.492 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -19.659 -20.196 -23.416 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -17.434 -21.330 -22.548 1.00 44.32 H new ATOM 0 HG3 GLU A 66 -18.473 -22.714 -22.270 1.00 44.32 H new ATOM 1063 N LEU A 67 -21.504 -19.113 -20.697 1.00 13.34 N ATOM 1064 CA LEU A 67 -22.535 -18.083 -20.620 1.00 41.32 C ATOM 1065 C LEU A 67 -22.110 -16.956 -19.686 1.00 41.41 C ATOM 1066 O LEU A 67 -22.360 -15.782 -19.958 1.00 63.32 O ATOM 1067 CB LEU A 67 -23.854 -18.689 -20.139 1.00 71.25 C ATOM 1068 CG LEU A 67 -24.837 -19.112 -21.233 1.00 3.03 C ATOM 1069 CD1 LEU A 67 -26.044 -19.809 -20.625 1.00 72.10 C ATOM 1070 CD2 LEU A 67 -25.271 -17.907 -22.054 1.00 41.51 C ATOM 0 H LEU A 67 -21.762 -20.001 -20.266 1.00 13.34 H new ATOM 0 HA LEU A 67 -22.675 -17.669 -21.619 1.00 41.32 H new ATOM 0 HB2 LEU A 67 -23.628 -19.561 -19.525 1.00 71.25 H new ATOM 0 HB3 LEU A 67 -24.350 -17.964 -19.493 1.00 71.25 H new ATOM 0 HG LEU A 67 -24.333 -19.816 -21.896 1.00 3.03 H new ATOM 0 HD11 LEU A 67 -26.732 -20.103 -21.418 1.00 72.10 H new ATOM 0 HD12 LEU A 67 -25.717 -20.695 -20.082 1.00 72.10 H new ATOM 0 HD13 LEU A 67 -26.549 -19.129 -19.939 1.00 72.10 H new ATOM 0 HD21 LEU A 67 -25.970 -18.226 -22.827 1.00 41.51 H new ATOM 0 HD22 LEU A 67 -25.757 -17.180 -21.404 1.00 41.51 H new ATOM 0 HD23 LEU A 67 -24.398 -17.451 -22.520 1.00 41.51 H new ATOM 1082 N ALA A 68 -21.464 -17.320 -18.583 1.00 3.13 N ATOM 1083 CA ALA A 68 -20.999 -16.338 -17.610 1.00 34.13 C ATOM 1084 C ALA A 68 -19.871 -15.489 -18.183 1.00 40.44 C ATOM 1085 O ALA A 68 -20.000 -14.270 -18.305 1.00 54.13 O ATOM 1086 CB ALA A 68 -20.544 -17.034 -16.335 1.00 72.32 C ATOM 0 H ALA A 68 -21.251 -18.288 -18.341 1.00 3.13 H new ATOM 0 HA ALA A 68 -21.831 -15.676 -17.372 1.00 34.13 H new ATOM 0 HB1 ALA A 68 -20.199 -16.290 -15.617 1.00 72.32 H new ATOM 0 HB2 ALA A 68 -21.377 -17.592 -15.908 1.00 72.32 H new ATOM 0 HB3 ALA A 68 -19.729 -17.720 -16.566 1.00 72.32 H new ATOM 1092 N ILE A 69 -18.766 -16.138 -18.532 1.00 3.25 N ATOM 1093 CA ILE A 69 -17.615 -15.440 -19.092 1.00 75.24 C ATOM 1094 C ILE A 69 -18.017 -14.597 -20.297 1.00 50.21 C ATOM 1095 O ILE A 69 -17.460 -13.524 -20.530 1.00 63.24 O ATOM 1096 CB ILE A 69 -16.511 -16.426 -19.516 1.00 21.55 C ATOM 1097 CG1 ILE A 69 -16.047 -17.253 -18.314 1.00 51.34 C ATOM 1098 CG2 ILE A 69 -15.340 -15.676 -20.133 1.00 22.11 C ATOM 1099 CD1 ILE A 69 -16.580 -18.668 -18.313 1.00 63.21 C ATOM 0 H ILE A 69 -18.643 -17.146 -18.437 1.00 3.25 H new ATOM 0 HA ILE A 69 -17.228 -14.789 -18.308 1.00 75.24 H new ATOM 0 HB ILE A 69 -16.918 -17.105 -20.265 1.00 21.55 H new ATOM 0 HG12 ILE A 69 -14.957 -17.284 -18.303 1.00 51.34 H new ATOM 0 HG13 ILE A 69 -16.361 -16.754 -17.397 1.00 51.34 H new ATOM 0 HG21 ILE A 69 -14.568 -16.386 -20.428 1.00 22.11 H new ATOM 0 HG22 ILE A 69 -15.681 -15.127 -21.010 1.00 22.11 H new ATOM 0 HG23 ILE A 69 -14.931 -14.977 -19.404 1.00 22.11 H new ATOM 0 HD11 ILE A 69 -16.211 -19.195 -17.433 1.00 63.21 H new ATOM 0 HD12 ILE A 69 -17.670 -18.646 -18.293 1.00 63.21 H new ATOM 0 HD13 ILE A 69 -16.244 -19.184 -19.213 1.00 63.21 H new ATOM 1111 N ALA A 70 -18.990 -15.088 -21.059 1.00 2.21 N ATOM 1112 CA ALA A 70 -19.469 -14.377 -22.237 1.00 71.42 C ATOM 1113 C ALA A 70 -19.970 -12.985 -21.873 1.00 13.42 C ATOM 1114 O ALA A 70 -20.001 -12.085 -22.714 1.00 74.24 O ATOM 1115 CB ALA A 70 -20.570 -15.175 -22.922 1.00 50.22 C ATOM 0 H ALA A 70 -19.461 -15.975 -20.881 1.00 2.21 H new ATOM 0 HA ALA A 70 -18.633 -14.263 -22.928 1.00 71.42 H new ATOM 0 HB1 ALA A 70 -20.919 -14.633 -23.801 1.00 50.22 H new ATOM 0 HB2 ALA A 70 -20.180 -16.146 -23.226 1.00 50.22 H new ATOM 0 HB3 ALA A 70 -21.400 -15.318 -22.230 1.00 50.22 H new ATOM 1121 N TYR A 71 -20.363 -12.812 -20.616 1.00 5.42 N ATOM 1122 CA TYR A 71 -20.866 -11.529 -20.141 1.00 42.42 C ATOM 1123 C TYR A 71 -19.717 -10.589 -19.790 1.00 4.22 C ATOM 1124 O TYR A 71 -19.727 -9.414 -20.154 1.00 62.02 O ATOM 1125 CB TYR A 71 -21.765 -11.729 -18.921 1.00 35.22 C ATOM 1126 CG TYR A 71 -22.496 -10.476 -18.494 1.00 13.32 C ATOM 1127 CD1 TYR A 71 -23.222 -9.725 -19.409 1.00 72.34 C ATOM 1128 CD2 TYR A 71 -22.461 -10.043 -17.174 1.00 22.42 C ATOM 1129 CE1 TYR A 71 -23.890 -8.579 -19.024 1.00 61.22 C ATOM 1130 CE2 TYR A 71 -23.126 -8.900 -16.779 1.00 52.53 C ATOM 1131 CZ TYR A 71 -23.839 -8.171 -17.707 1.00 74.24 C ATOM 1132 OH TYR A 71 -24.505 -7.030 -17.319 1.00 22.12 O ATOM 0 H TYR A 71 -20.343 -13.545 -19.907 1.00 5.42 H new ATOM 0 HA TYR A 71 -21.449 -11.078 -20.944 1.00 42.42 H new ATOM 0 HB2 TYR A 71 -22.495 -12.508 -19.142 1.00 35.22 H new ATOM 0 HB3 TYR A 71 -21.159 -12.087 -18.089 1.00 35.22 H new ATOM 0 HD1 TYR A 71 -23.265 -10.043 -20.440 1.00 72.34 H new ATOM 0 HD2 TYR A 71 -21.903 -10.611 -16.444 1.00 22.42 H new ATOM 0 HE1 TYR A 71 -24.449 -8.006 -19.749 1.00 61.22 H new ATOM 0 HE2 TYR A 71 -23.088 -8.578 -15.749 1.00 52.53 H new ATOM 0 HH TYR A 71 -24.370 -6.882 -16.360 1.00 22.12 H new ATOM 1142 N ALA A 72 -18.725 -11.117 -19.080 1.00 32.14 N ATOM 1143 CA ALA A 72 -17.566 -10.329 -18.681 1.00 43.01 C ATOM 1144 C ALA A 72 -16.726 -9.936 -19.892 1.00 12.40 C ATOM 1145 O ALA A 72 -16.457 -8.756 -20.117 1.00 52.02 O ATOM 1146 CB ALA A 72 -16.721 -11.100 -17.679 1.00 35.33 C ATOM 0 H ALA A 72 -18.701 -12.088 -18.769 1.00 32.14 H new ATOM 0 HA ALA A 72 -17.926 -9.415 -18.208 1.00 43.01 H new ATOM 0 HB1 ALA A 72 -15.859 -10.498 -17.391 1.00 35.33 H new ATOM 0 HB2 ALA A 72 -17.319 -11.325 -16.796 1.00 35.33 H new ATOM 0 HB3 ALA A 72 -16.379 -12.031 -18.132 1.00 35.33 H new ATOM 1152 N VAL A 73 -16.314 -10.933 -20.668 1.00 22.12 N ATOM 1153 CA VAL A 73 -15.504 -10.692 -21.856 1.00 40.33 C ATOM 1154 C VAL A 73 -16.145 -9.639 -22.754 1.00 31.54 C ATOM 1155 O VAL A 73 -15.454 -8.903 -23.457 1.00 13.24 O ATOM 1156 CB VAL A 73 -15.297 -11.985 -22.667 1.00 52.14 C ATOM 1157 CG1 VAL A 73 -14.483 -11.705 -23.921 1.00 43.11 C ATOM 1158 CG2 VAL A 73 -14.627 -13.048 -21.811 1.00 63.21 C ATOM 0 H VAL A 73 -16.528 -11.915 -20.495 1.00 22.12 H new ATOM 0 HA VAL A 73 -14.536 -10.330 -21.510 1.00 40.33 H new ATOM 0 HB VAL A 73 -16.273 -12.361 -22.974 1.00 52.14 H new ATOM 0 HG11 VAL A 73 -14.347 -12.630 -24.481 1.00 43.11 H new ATOM 0 HG12 VAL A 73 -15.009 -10.979 -24.542 1.00 43.11 H new ATOM 0 HG13 VAL A 73 -13.509 -11.304 -23.641 1.00 43.11 H new ATOM 0 HG21 VAL A 73 -14.488 -13.955 -22.400 1.00 63.21 H new ATOM 0 HG22 VAL A 73 -13.657 -12.684 -21.472 1.00 63.21 H new ATOM 0 HG23 VAL A 73 -15.254 -13.268 -20.947 1.00 63.21 H new ATOM 1168 N ALA A 74 -17.473 -9.574 -22.724 1.00 62.03 N ATOM 1169 CA ALA A 74 -18.207 -8.609 -23.533 1.00 74.24 C ATOM 1170 C ALA A 74 -17.707 -7.190 -23.287 1.00 21.04 C ATOM 1171 O ALA A 74 -17.782 -6.333 -24.167 1.00 75.05 O ATOM 1172 CB ALA A 74 -19.698 -8.703 -23.241 1.00 74.32 C ATOM 0 H ALA A 74 -18.061 -10.177 -22.149 1.00 62.03 H new ATOM 0 HA ALA A 74 -18.036 -8.848 -24.583 1.00 74.24 H new ATOM 0 HB1 ALA A 74 -20.235 -7.977 -23.852 1.00 74.32 H new ATOM 0 HB2 ALA A 74 -20.052 -9.707 -23.475 1.00 74.32 H new ATOM 0 HB3 ALA A 74 -19.876 -8.492 -22.186 1.00 74.32 H new ATOM 1178 N HIS A 75 -17.197 -6.949 -22.083 1.00 3.20 N ATOM 1179 CA HIS A 75 -16.683 -5.633 -21.721 1.00 52.41 C ATOM 1180 C HIS A 75 -15.257 -5.734 -21.188 1.00 40.32 C ATOM 1181 O HIS A 75 -14.805 -4.879 -20.426 1.00 51.40 O ATOM 1182 CB HIS A 75 -17.586 -4.980 -20.674 1.00 11.32 C ATOM 1183 CG HIS A 75 -18.743 -4.234 -21.262 1.00 73.43 C ATOM 1184 ND1 HIS A 75 -20.003 -4.234 -20.702 1.00 34.53 N ATOM 1185 CD2 HIS A 75 -18.826 -3.459 -22.368 1.00 41.23 C ATOM 1186 CE1 HIS A 75 -20.812 -3.494 -21.438 1.00 44.01 C ATOM 1187 NE2 HIS A 75 -20.121 -3.010 -22.456 1.00 32.41 N ATOM 0 H HIS A 75 -17.129 -7.647 -21.342 1.00 3.20 H new ATOM 0 HA HIS A 75 -16.673 -5.015 -22.619 1.00 52.41 H new ATOM 0 HB2 HIS A 75 -17.965 -5.750 -20.002 1.00 11.32 H new ATOM 0 HB3 HIS A 75 -16.991 -4.294 -20.070 1.00 11.32 H new ATOM 0 HD2 HIS A 75 -18.023 -3.235 -23.054 1.00 41.23 H new ATOM 0 HE1 HIS A 75 -21.859 -3.315 -21.242 1.00 44.01 H new ATOM 0 HE2 HIS A 75 -20.490 -2.402 -23.188 1.00 32.41 H new ATOM 1195 N LYS A 76 -14.553 -6.785 -21.592 1.00 24.34 N ATOM 1196 CA LYS A 76 -13.178 -6.999 -21.156 1.00 64.13 C ATOM 1197 C LYS A 76 -13.071 -6.926 -19.637 1.00 11.01 C ATOM 1198 O LYS A 76 -12.159 -6.297 -19.099 1.00 14.32 O ATOM 1199 CB LYS A 76 -12.251 -5.960 -21.794 1.00 12.34 C ATOM 1200 CG LYS A 76 -10.833 -6.459 -22.007 1.00 42.44 C ATOM 1201 CD LYS A 76 -10.743 -7.389 -23.205 1.00 61.35 C ATOM 1202 CE LYS A 76 -10.693 -6.611 -24.511 1.00 62.41 C ATOM 1203 NZ LYS A 76 -9.348 -6.022 -24.755 1.00 31.30 N ATOM 0 H LYS A 76 -14.912 -7.503 -22.221 1.00 24.34 H new ATOM 0 HA LYS A 76 -12.873 -7.995 -21.476 1.00 64.13 H new ATOM 0 HB2 LYS A 76 -12.668 -5.655 -22.754 1.00 12.34 H new ATOM 0 HB3 LYS A 76 -12.224 -5.073 -21.161 1.00 12.34 H new ATOM 0 HG2 LYS A 76 -10.166 -5.610 -22.154 1.00 42.44 H new ATOM 0 HG3 LYS A 76 -10.492 -6.982 -21.113 1.00 42.44 H new ATOM 0 HD2 LYS A 76 -9.853 -8.012 -23.117 1.00 61.35 H new ATOM 0 HD3 LYS A 76 -11.602 -8.059 -23.212 1.00 61.35 H new ATOM 0 HE2 LYS A 76 -10.955 -7.272 -25.337 1.00 62.41 H new ATOM 0 HE3 LYS A 76 -11.439 -5.816 -24.489 1.00 62.41 H new ATOM 0 HZ1 LYS A 76 -9.326 -5.587 -25.700 1.00 31.30 H new ATOM 0 HZ2 LYS A 76 -9.151 -5.297 -24.036 1.00 31.30 H new ATOM 0 HZ3 LYS A 76 -8.627 -6.769 -24.701 1.00 31.30 H new ATOM 1217 N ILE A 77 -14.006 -7.576 -18.951 1.00 44.52 N ATOM 1218 CA ILE A 77 -14.014 -7.587 -17.493 1.00 42.22 C ATOM 1219 C ILE A 77 -13.256 -8.792 -16.948 1.00 3.40 C ATOM 1220 O ILE A 77 -13.329 -9.888 -17.505 1.00 4.33 O ATOM 1221 CB ILE A 77 -15.451 -7.604 -16.940 1.00 12.44 C ATOM 1222 CG1 ILE A 77 -16.228 -6.384 -17.437 1.00 51.44 C ATOM 1223 CG2 ILE A 77 -15.430 -7.643 -15.418 1.00 54.42 C ATOM 1224 CD1 ILE A 77 -17.707 -6.439 -17.122 1.00 3.10 C ATOM 0 H ILE A 77 -14.767 -8.101 -19.381 1.00 44.52 H new ATOM 0 HA ILE A 77 -13.518 -6.673 -17.167 1.00 42.22 H new ATOM 0 HB ILE A 77 -15.954 -8.501 -17.301 1.00 12.44 H new ATOM 0 HG12 ILE A 77 -15.803 -5.486 -16.989 1.00 51.44 H new ATOM 0 HG13 ILE A 77 -16.098 -6.295 -18.516 1.00 51.44 H new ATOM 0 HG21 ILE A 77 -16.452 -7.655 -15.040 1.00 54.42 H new ATOM 0 HG22 ILE A 77 -14.910 -8.541 -15.084 1.00 54.42 H new ATOM 0 HG23 ILE A 77 -14.913 -6.762 -15.039 1.00 54.42 H new ATOM 0 HD11 ILE A 77 -18.194 -5.542 -17.504 1.00 3.10 H new ATOM 0 HD12 ILE A 77 -18.147 -7.319 -17.592 1.00 3.10 H new ATOM 0 HD13 ILE A 77 -17.847 -6.496 -16.043 1.00 3.10 H new ATOM 1236 N ASP A 78 -12.530 -8.582 -15.856 1.00 24.22 N ATOM 1237 CA ASP A 78 -11.759 -9.652 -15.232 1.00 43.00 C ATOM 1238 C ASP A 78 -12.681 -10.661 -14.554 1.00 5.21 C ATOM 1239 O ASP A 78 -13.192 -10.413 -13.462 1.00 61.21 O ATOM 1240 CB ASP A 78 -10.776 -9.074 -14.212 1.00 62.45 C ATOM 1241 CG ASP A 78 -9.474 -8.632 -14.850 1.00 23.41 C ATOM 1242 OD1 ASP A 78 -8.668 -9.511 -15.224 1.00 12.30 O ATOM 1243 OD2 ASP A 78 -9.259 -7.408 -14.976 1.00 34.22 O ATOM 0 H ASP A 78 -12.459 -7.681 -15.384 1.00 24.22 H new ATOM 0 HA ASP A 78 -11.199 -10.166 -16.013 1.00 43.00 H new ATOM 0 HB2 ASP A 78 -11.237 -8.225 -13.708 1.00 62.45 H new ATOM 0 HB3 ASP A 78 -10.567 -9.823 -13.448 1.00 62.45 H new ATOM 1248 N TYR A 79 -12.890 -11.797 -15.209 1.00 65.34 N ATOM 1249 CA TYR A 79 -13.753 -12.842 -14.672 1.00 51.10 C ATOM 1250 C TYR A 79 -12.928 -13.949 -14.021 1.00 1.50 C ATOM 1251 O TYR A 79 -11.940 -14.418 -14.586 1.00 65.41 O ATOM 1252 CB TYR A 79 -14.630 -13.429 -15.780 1.00 14.25 C ATOM 1253 CG TYR A 79 -13.842 -14.071 -16.898 1.00 42.04 C ATOM 1254 CD1 TYR A 79 -13.476 -15.410 -16.837 1.00 61.21 C ATOM 1255 CD2 TYR A 79 -13.464 -13.339 -18.018 1.00 14.32 C ATOM 1256 CE1 TYR A 79 -12.756 -16.002 -17.857 1.00 53.42 C ATOM 1257 CE2 TYR A 79 -12.746 -13.923 -19.043 1.00 1.21 C ATOM 1258 CZ TYR A 79 -12.394 -15.253 -18.958 1.00 70.33 C ATOM 1259 OH TYR A 79 -11.676 -15.838 -19.977 1.00 33.02 O ATOM 0 H TYR A 79 -12.473 -12.018 -16.113 1.00 65.34 H new ATOM 0 HA TYR A 79 -14.392 -12.394 -13.911 1.00 51.10 H new ATOM 0 HB2 TYR A 79 -15.301 -14.171 -15.347 1.00 14.25 H new ATOM 0 HB3 TYR A 79 -15.255 -12.638 -16.195 1.00 14.25 H new ATOM 0 HD1 TYR A 79 -13.759 -15.999 -15.977 1.00 61.21 H new ATOM 0 HD2 TYR A 79 -13.736 -12.296 -18.088 1.00 14.32 H new ATOM 0 HE1 TYR A 79 -12.478 -17.044 -17.793 1.00 53.42 H new ATOM 0 HE2 TYR A 79 -12.462 -13.341 -19.907 1.00 1.21 H new ATOM 0 HH TYR A 79 -11.503 -15.175 -20.678 1.00 33.02 H new ATOM 1269 N THR A 80 -13.342 -14.362 -12.827 1.00 41.44 N ATOM 1270 CA THR A 80 -12.643 -15.413 -12.097 1.00 43.43 C ATOM 1271 C THR A 80 -13.537 -16.630 -11.897 1.00 74.50 C ATOM 1272 O THR A 80 -14.611 -16.534 -11.303 1.00 22.14 O ATOM 1273 CB THR A 80 -12.158 -14.914 -10.722 1.00 63.55 C ATOM 1274 OG1 THR A 80 -11.547 -15.989 -10.000 1.00 43.51 O ATOM 1275 CG2 THR A 80 -13.314 -14.345 -9.914 1.00 34.41 C ATOM 0 H THR A 80 -14.158 -13.985 -12.345 1.00 41.44 H new ATOM 0 HA THR A 80 -11.779 -15.695 -12.698 1.00 43.43 H new ATOM 0 HB THR A 80 -11.426 -14.123 -10.884 1.00 63.55 H new ATOM 0 HG1 THR A 80 -11.240 -15.664 -9.128 1.00 43.51 H new ATOM 0 HG21 THR A 80 -12.947 -13.999 -8.948 1.00 34.41 H new ATOM 0 HG22 THR A 80 -13.758 -13.509 -10.454 1.00 34.41 H new ATOM 0 HG23 THR A 80 -14.066 -15.119 -9.761 1.00 34.41 H new ATOM 1283 N VAL A 81 -13.087 -17.777 -12.395 1.00 61.41 N ATOM 1284 CA VAL A 81 -13.846 -19.016 -12.269 1.00 64.53 C ATOM 1285 C VAL A 81 -13.377 -19.828 -11.067 1.00 44.00 C ATOM 1286 O VAL A 81 -12.194 -20.149 -10.944 1.00 24.02 O ATOM 1287 CB VAL A 81 -13.723 -19.881 -13.538 1.00 73.42 C ATOM 1288 CG1 VAL A 81 -14.396 -19.197 -14.718 1.00 11.01 C ATOM 1289 CG2 VAL A 81 -12.262 -20.174 -13.844 1.00 1.14 C ATOM 0 H VAL A 81 -12.200 -17.874 -12.890 1.00 61.41 H new ATOM 0 HA VAL A 81 -14.890 -18.735 -12.129 1.00 64.53 H new ATOM 0 HB VAL A 81 -14.230 -20.829 -13.360 1.00 73.42 H new ATOM 0 HG11 VAL A 81 -14.299 -19.823 -15.605 1.00 11.01 H new ATOM 0 HG12 VAL A 81 -15.452 -19.044 -14.496 1.00 11.01 H new ATOM 0 HG13 VAL A 81 -13.920 -18.233 -14.900 1.00 11.01 H new ATOM 0 HG21 VAL A 81 -12.194 -20.786 -14.743 1.00 1.14 H new ATOM 0 HG22 VAL A 81 -11.728 -19.237 -14.002 1.00 1.14 H new ATOM 0 HG23 VAL A 81 -11.815 -20.709 -13.006 1.00 1.14 H new ATOM 1299 N LEU A 82 -14.311 -20.158 -10.182 1.00 51.11 N ATOM 1300 CA LEU A 82 -13.994 -20.934 -8.988 1.00 42.23 C ATOM 1301 C LEU A 82 -14.568 -22.344 -9.087 1.00 5.41 C ATOM 1302 O LEU A 82 -15.784 -22.528 -9.116 1.00 11.11 O ATOM 1303 CB LEU A 82 -14.540 -20.234 -7.741 1.00 60.53 C ATOM 1304 CG LEU A 82 -14.353 -20.978 -6.418 1.00 44.14 C ATOM 1305 CD1 LEU A 82 -12.885 -20.999 -6.022 1.00 14.21 C ATOM 1306 CD2 LEU A 82 -15.193 -20.337 -5.323 1.00 75.54 C ATOM 0 H LEU A 82 -15.294 -19.900 -10.269 1.00 51.11 H new ATOM 0 HA LEU A 82 -12.909 -21.008 -8.910 1.00 42.23 H new ATOM 0 HB2 LEU A 82 -14.061 -19.259 -7.657 1.00 60.53 H new ATOM 0 HB3 LEU A 82 -15.605 -20.054 -7.887 1.00 60.53 H new ATOM 0 HG LEU A 82 -14.688 -22.007 -6.550 1.00 44.14 H new ATOM 0 HD11 LEU A 82 -12.770 -21.532 -5.078 1.00 14.21 H new ATOM 0 HD12 LEU A 82 -12.306 -21.503 -6.796 1.00 14.21 H new ATOM 0 HD13 LEU A 82 -12.524 -19.977 -5.907 1.00 14.21 H new ATOM 0 HD21 LEU A 82 -15.048 -20.879 -4.389 1.00 75.54 H new ATOM 0 HD22 LEU A 82 -14.888 -19.299 -5.191 1.00 75.54 H new ATOM 0 HD23 LEU A 82 -16.246 -20.373 -5.604 1.00 75.54 H new