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 0:sc= -1.24 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= 0.0133 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= -0.0844 X(o=-0.084,f=-0.01) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00854) 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 -15.652 -6.279 -11.680 1.00 73.53 N ATOM 125 CA ARG A 9 -15.157 -7.611 -12.006 1.00 31.12 C ATOM 126 C ARG A 9 -16.273 -8.646 -11.901 1.00 71.43 C ATOM 127 O ARG A 9 -17.254 -8.447 -11.185 1.00 22.42 O ATOM 128 CB ARG A 9 -14.004 -7.992 -11.075 1.00 32.33 C ATOM 129 CG ARG A 9 -14.427 -8.179 -9.626 1.00 54.22 C ATOM 130 CD ARG A 9 -13.224 -8.303 -8.706 1.00 63.54 C ATOM 131 NE ARG A 9 -12.601 -9.622 -8.794 1.00 42.01 N ATOM 132 CZ ARG A 9 -11.681 -10.060 -7.941 1.00 53.13 C ATOM 133 NH1 ARG A 9 -11.279 -9.288 -6.941 1.00 53.51 N ATOM 134 NH2 ARG A 9 -11.163 -11.272 -8.088 1.00 24.41 N ATOM 0 HA ARG A 9 -14.795 -7.595 -13.034 1.00 31.12 H new ATOM 0 HB2 ARG A 9 -13.548 -8.915 -11.434 1.00 32.33 H new ATOM 0 HB3 ARG A 9 -13.238 -7.218 -11.124 1.00 32.33 H new ATOM 0 HG2 ARG A 9 -15.040 -7.334 -9.313 1.00 54.22 H new ATOM 0 HG3 ARG A 9 -15.046 -9.072 -9.539 1.00 54.22 H new ATOM 0 HD2 ARG A 9 -12.491 -7.538 -8.963 1.00 63.54 H new ATOM 0 HD3 ARG A 9 -13.533 -8.116 -7.678 1.00 63.54 H new ATOM 0 HE ARG A 9 -12.888 -10.241 -9.552 1.00 42.01 H new ATOM 0 HH11 ARG A 9 -11.676 -8.356 -6.825 1.00 53.51 H new ATOM 0 HH12 ARG A 9 -10.573 -9.626 -6.288 1.00 53.51 H new ATOM 0 HH21 ARG A 9 -11.471 -11.868 -8.856 1.00 24.41 H new ATOM 0 HH22 ARG A 9 -10.457 -11.608 -7.433 1.00 24.41 H new ATOM 148 N ALA A 10 -16.115 -9.753 -12.620 1.00 55.12 N ATOM 149 CA ALA A 10 -17.108 -10.821 -12.607 1.00 2.15 C ATOM 150 C ALA A 10 -16.648 -11.988 -11.739 1.00 3.44 C ATOM 151 O ALA A 10 -15.602 -12.584 -11.989 1.00 22.50 O ATOM 152 CB ALA A 10 -17.391 -11.295 -14.024 1.00 75.14 C ATOM 0 H ALA A 10 -15.309 -9.934 -13.219 1.00 55.12 H new ATOM 0 HA ALA A 10 -18.028 -10.423 -12.178 1.00 2.15 H new ATOM 0 HB1 ALA A 10 -18.134 -12.092 -13.999 1.00 75.14 H new ATOM 0 HB2 ALA A 10 -17.771 -10.463 -14.617 1.00 75.14 H new ATOM 0 HB3 ALA A 10 -16.471 -11.670 -14.473 1.00 75.14 H new ATOM 158 N ARG A 11 -17.437 -12.306 -10.718 1.00 54.43 N ATOM 159 CA ARG A 11 -17.110 -13.399 -9.812 1.00 74.52 C ATOM 160 C ARG A 11 -17.869 -14.667 -10.193 1.00 54.22 C ATOM 161 O ARG A 11 -19.062 -14.797 -9.912 1.00 25.44 O ATOM 162 CB ARG A 11 -17.438 -13.011 -8.369 1.00 54.51 C ATOM 163 CG ARG A 11 -16.782 -11.714 -7.924 1.00 32.04 C ATOM 164 CD ARG A 11 -16.581 -11.681 -6.416 1.00 41.13 C ATOM 165 NE ARG A 11 -17.827 -11.411 -5.703 1.00 73.41 N ATOM 166 CZ ARG A 11 -17.967 -11.555 -4.390 1.00 41.53 C ATOM 167 NH1 ARG A 11 -16.944 -11.960 -3.651 1.00 72.10 N ATOM 168 NH2 ARG A 11 -19.133 -11.290 -3.814 1.00 23.32 N ATOM 0 H ARG A 11 -18.307 -11.822 -10.498 1.00 54.43 H new ATOM 0 HA ARG A 11 -16.041 -13.597 -9.894 1.00 74.52 H new ATOM 0 HB2 ARG A 11 -18.519 -12.917 -8.264 1.00 54.51 H new ATOM 0 HB3 ARG A 11 -17.122 -13.815 -7.704 1.00 54.51 H new ATOM 0 HG2 ARG A 11 -15.820 -11.602 -8.423 1.00 32.04 H new ATOM 0 HG3 ARG A 11 -17.400 -10.869 -8.229 1.00 32.04 H new ATOM 0 HD2 ARG A 11 -16.173 -12.636 -6.084 1.00 41.13 H new ATOM 0 HD3 ARG A 11 -15.847 -10.916 -6.165 1.00 41.13 H new ATOM 0 HE ARG A 11 -18.633 -11.095 -6.242 1.00 73.41 H new ATOM 0 HH11 ARG A 11 -16.046 -12.162 -4.090 1.00 72.10 H new ATOM 0 HH12 ARG A 11 -17.055 -12.070 -2.643 1.00 72.10 H new ATOM 0 HH21 ARG A 11 -19.922 -10.976 -4.380 1.00 23.32 H new ATOM 0 HH22 ARG A 11 -19.241 -11.401 -2.806 1.00 23.32 H new ATOM 182 N ILE A 12 -17.171 -15.598 -10.835 1.00 31.22 N ATOM 183 CA ILE A 12 -17.779 -16.855 -11.254 1.00 40.15 C ATOM 184 C ILE A 12 -17.380 -17.995 -10.323 1.00 52.12 C ATOM 185 O ILE A 12 -16.222 -18.108 -9.923 1.00 61.00 O ATOM 186 CB ILE A 12 -17.379 -17.220 -12.696 1.00 32.14 C ATOM 187 CG1 ILE A 12 -17.732 -16.078 -13.651 1.00 3.34 C ATOM 188 CG2 ILE A 12 -18.065 -18.508 -13.126 1.00 13.23 C ATOM 189 CD1 ILE A 12 -17.116 -16.226 -15.024 1.00 50.25 C ATOM 0 H ILE A 12 -16.184 -15.506 -11.076 1.00 31.22 H new ATOM 0 HA ILE A 12 -18.859 -16.714 -11.210 1.00 40.15 H new ATOM 0 HB ILE A 12 -16.301 -17.377 -12.730 1.00 32.14 H new ATOM 0 HG12 ILE A 12 -18.816 -16.022 -13.752 1.00 3.34 H new ATOM 0 HG13 ILE A 12 -17.403 -15.135 -13.214 1.00 3.34 H new ATOM 0 HG21 ILE A 12 -17.772 -18.753 -14.147 1.00 13.23 H new ATOM 0 HG22 ILE A 12 -17.769 -19.318 -12.460 1.00 13.23 H new ATOM 0 HG23 ILE A 12 -19.146 -18.377 -13.080 1.00 13.23 H new ATOM 0 HD11 ILE A 12 -17.409 -15.381 -15.647 1.00 50.25 H new ATOM 0 HD12 ILE A 12 -16.030 -16.252 -14.935 1.00 50.25 H new ATOM 0 HD13 ILE A 12 -17.464 -17.152 -15.481 1.00 50.25 H new ATOM 201 N TYR A 13 -18.348 -18.840 -9.985 1.00 75.14 N ATOM 202 CA TYR A 13 -18.099 -19.972 -9.101 1.00 72.33 C ATOM 203 C TYR A 13 -19.198 -21.022 -9.237 1.00 0.12 C ATOM 204 O TYR A 13 -20.366 -20.692 -9.442 1.00 52.03 O ATOM 205 CB TYR A 13 -18.004 -19.501 -7.648 1.00 72.34 C ATOM 206 CG TYR A 13 -19.260 -18.825 -7.149 1.00 12.33 C ATOM 207 CD1 TYR A 13 -19.482 -17.472 -7.380 1.00 52.43 C ATOM 208 CD2 TYR A 13 -20.224 -19.536 -6.445 1.00 3.41 C ATOM 209 CE1 TYR A 13 -20.628 -16.848 -6.924 1.00 70.33 C ATOM 210 CE2 TYR A 13 -21.373 -18.920 -5.987 1.00 34.12 C ATOM 211 CZ TYR A 13 -21.570 -17.578 -6.229 1.00 13.53 C ATOM 212 OH TYR A 13 -22.714 -16.960 -5.774 1.00 25.51 O ATOM 0 H TYR A 13 -19.312 -18.762 -10.310 1.00 75.14 H new ATOM 0 HA TYR A 13 -17.151 -20.425 -9.391 1.00 72.33 H new ATOM 0 HB2 TYR A 13 -17.784 -20.357 -7.011 1.00 72.34 H new ATOM 0 HB3 TYR A 13 -17.167 -18.810 -7.553 1.00 72.34 H new ATOM 0 HD1 TYR A 13 -18.747 -16.899 -7.925 1.00 52.43 H new ATOM 0 HD2 TYR A 13 -20.073 -20.588 -6.252 1.00 3.41 H new ATOM 0 HE1 TYR A 13 -20.785 -15.796 -7.111 1.00 70.33 H new ATOM 0 HE2 TYR A 13 -22.113 -19.488 -5.442 1.00 34.12 H new ATOM 0 HH TYR A 13 -22.697 -16.014 -6.028 1.00 25.51 H new ATOM 468 N TRP A 30 -23.821 -22.801 -12.949 1.00 55.24 N ATOM 469 CA TRP A 30 -22.751 -21.874 -12.598 1.00 52.24 C ATOM 470 C TRP A 30 -23.319 -20.576 -12.035 1.00 41.34 C ATOM 471 O TRP A 30 -24.385 -20.121 -12.451 1.00 0.34 O ATOM 472 CB TRP A 30 -21.884 -21.578 -13.822 1.00 44.43 C ATOM 473 CG TRP A 30 -20.961 -22.703 -14.184 1.00 13.14 C ATOM 474 CD1 TRP A 30 -21.268 -23.806 -14.928 1.00 65.03 C ATOM 475 CD2 TRP A 30 -19.585 -22.836 -13.813 1.00 53.02 C ATOM 476 NE1 TRP A 30 -20.164 -24.616 -15.044 1.00 31.25 N ATOM 477 CE2 TRP A 30 -19.118 -24.043 -14.369 1.00 32.00 C ATOM 478 CE3 TRP A 30 -18.700 -22.052 -13.068 1.00 1.23 C ATOM 479 CZ2 TRP A 30 -17.808 -24.483 -14.201 1.00 11.42 C ATOM 480 CZ3 TRP A 30 -17.400 -22.489 -12.901 1.00 73.25 C ATOM 481 CH2 TRP A 30 -16.964 -23.695 -13.467 1.00 44.13 C ATOM 0 HA TRP A 30 -22.135 -22.342 -11.830 1.00 52.24 H new ATOM 0 HB2 TRP A 30 -22.531 -21.361 -14.672 1.00 44.43 H new ATOM 0 HB3 TRP A 30 -21.295 -20.681 -13.632 1.00 44.43 H new ATOM 0 HD1 TRP A 30 -22.236 -24.012 -15.361 1.00 65.03 H new ATOM 0 HE1 TRP A 30 -20.129 -25.501 -15.551 1.00 31.25 H new ATOM 0 HE3 TRP A 30 -19.027 -21.120 -12.630 1.00 1.23 H new ATOM 0 HZ2 TRP A 30 -17.470 -25.413 -14.634 1.00 11.42 H new ATOM 0 HZ3 TRP A 30 -16.709 -21.892 -12.325 1.00 73.25 H new ATOM 0 HH2 TRP A 30 -15.941 -24.009 -13.321 1.00 44.13 H new ATOM 492 N LYS A 31 -22.601 -19.983 -11.088 1.00 71.12 N ATOM 493 CA LYS A 31 -23.032 -18.735 -10.469 1.00 43.31 C ATOM 494 C LYS A 31 -22.113 -17.584 -10.866 1.00 64.33 C ATOM 495 O LYS A 31 -20.900 -17.760 -10.992 1.00 54.11 O ATOM 496 CB LYS A 31 -23.056 -18.880 -8.946 1.00 2.13 C ATOM 497 CG LYS A 31 -24.049 -17.955 -8.262 1.00 71.03 C ATOM 498 CD LYS A 31 -24.710 -18.629 -7.072 1.00 22.42 C ATOM 499 CE LYS A 31 -25.779 -17.743 -6.453 1.00 13.10 C ATOM 500 NZ LYS A 31 -27.056 -17.800 -7.217 1.00 13.43 N ATOM 0 H LYS A 31 -21.717 -20.347 -10.732 1.00 71.12 H new ATOM 0 HA LYS A 31 -24.038 -18.511 -10.823 1.00 43.31 H new ATOM 0 HB2 LYS A 31 -23.299 -19.912 -8.691 1.00 2.13 H new ATOM 0 HB3 LYS A 31 -22.058 -18.681 -8.555 1.00 2.13 H new ATOM 0 HG2 LYS A 31 -23.537 -17.051 -7.931 1.00 71.03 H new ATOM 0 HG3 LYS A 31 -24.812 -17.646 -8.977 1.00 71.03 H new ATOM 0 HD2 LYS A 31 -25.156 -19.572 -7.388 1.00 22.42 H new ATOM 0 HD3 LYS A 31 -23.955 -18.868 -6.323 1.00 22.42 H new ATOM 0 HE2 LYS A 31 -25.957 -18.054 -5.424 1.00 13.10 H new ATOM 0 HE3 LYS A 31 -25.422 -16.714 -6.418 1.00 13.10 H new ATOM 0 HZ1 LYS A 31 -27.760 -17.183 -6.764 1.00 13.43 H new ATOM 0 HZ2 LYS A 31 -26.891 -17.479 -8.193 1.00 13.43 H new ATOM 0 HZ3 LYS A 31 -27.410 -18.778 -7.229 1.00 13.43 H new ATOM 514 N LEU A 32 -22.697 -16.408 -11.061 1.00 4.41 N ATOM 515 CA LEU A 32 -21.929 -15.227 -11.444 1.00 30.25 C ATOM 516 C LEU A 32 -22.361 -14.010 -10.631 1.00 32.34 C ATOM 517 O LEU A 32 -23.545 -13.681 -10.572 1.00 32.34 O ATOM 518 CB LEU A 32 -22.101 -14.944 -12.936 1.00 50.41 C ATOM 519 CG LEU A 32 -21.331 -13.742 -13.485 1.00 23.23 C ATOM 520 CD1 LEU A 32 -22.101 -12.455 -13.235 1.00 34.01 C ATOM 521 CD2 LEU A 32 -19.945 -13.667 -12.860 1.00 4.53 C ATOM 0 H LEU A 32 -23.699 -16.245 -10.961 1.00 4.41 H new ATOM 0 HA LEU A 32 -20.877 -15.425 -11.237 1.00 30.25 H new ATOM 0 HB2 LEU A 32 -21.795 -15.831 -13.491 1.00 50.41 H new ATOM 0 HB3 LEU A 32 -23.162 -14.793 -13.137 1.00 50.41 H new ATOM 0 HG LEU A 32 -21.216 -13.869 -14.562 1.00 23.23 H new ATOM 0 HD11 LEU A 32 -21.538 -11.611 -13.632 1.00 34.01 H new ATOM 0 HD12 LEU A 32 -23.071 -12.509 -13.730 1.00 34.01 H new ATOM 0 HD13 LEU A 32 -22.248 -12.321 -12.163 1.00 34.01 H new ATOM 0 HD21 LEU A 32 -19.411 -12.806 -13.262 1.00 4.53 H new ATOM 0 HD22 LEU A 32 -20.038 -13.564 -11.779 1.00 4.53 H new ATOM 0 HD23 LEU A 32 -19.392 -14.577 -13.091 1.00 4.53 H new ATOM 533 N GLU A 33 -21.392 -13.346 -10.008 1.00 52.01 N ATOM 534 CA GLU A 33 -21.674 -12.165 -9.200 1.00 12.11 C ATOM 535 C GLU A 33 -20.721 -11.026 -9.551 1.00 62.34 C ATOM 536 O GLU A 33 -19.538 -11.064 -9.212 1.00 62.35 O ATOM 537 CB GLU A 33 -21.560 -12.500 -7.711 1.00 41.20 C ATOM 538 CG GLU A 33 -22.061 -11.393 -6.799 1.00 22.13 C ATOM 539 CD GLU A 33 -23.530 -11.540 -6.454 1.00 72.54 C ATOM 540 OE1 GLU A 33 -23.981 -12.690 -6.265 1.00 13.14 O ATOM 541 OE2 GLU A 33 -24.228 -10.508 -6.375 1.00 73.33 O ATOM 0 H GLU A 33 -20.406 -13.605 -10.047 1.00 52.01 H new ATOM 0 HA GLU A 33 -22.693 -11.843 -9.416 1.00 12.11 H new ATOM 0 HB2 GLU A 33 -22.124 -13.410 -7.508 1.00 41.20 H new ATOM 0 HB3 GLU A 33 -20.517 -12.711 -7.473 1.00 41.20 H new ATOM 0 HG2 GLU A 33 -21.475 -11.391 -5.880 1.00 22.13 H new ATOM 0 HG3 GLU A 33 -21.900 -10.429 -7.282 1.00 22.13 H new ATOM 548 N PHE A 34 -21.245 -10.014 -10.234 1.00 13.10 N ATOM 549 CA PHE A 34 -20.442 -8.864 -10.633 1.00 43.52 C ATOM 550 C PHE A 34 -20.380 -7.828 -9.514 1.00 51.11 C ATOM 551 O PHE A 34 -21.379 -7.559 -8.848 1.00 72.41 O ATOM 552 CB PHE A 34 -21.018 -8.229 -11.900 1.00 43.42 C ATOM 553 CG PHE A 34 -22.454 -7.812 -11.763 1.00 43.11 C ATOM 554 CD1 PHE A 34 -22.784 -6.591 -11.198 1.00 71.03 C ATOM 555 CD2 PHE A 34 -23.474 -8.642 -12.199 1.00 12.34 C ATOM 556 CE1 PHE A 34 -24.105 -6.205 -11.069 1.00 72.13 C ATOM 557 CE2 PHE A 34 -24.797 -8.262 -12.074 1.00 32.43 C ATOM 558 CZ PHE A 34 -25.113 -7.042 -11.509 1.00 70.15 C ATOM 0 H PHE A 34 -22.222 -9.967 -10.523 1.00 13.10 H new ATOM 0 HA PHE A 34 -19.430 -9.213 -10.837 1.00 43.52 H new ATOM 0 HB2 PHE A 34 -20.419 -7.358 -12.165 1.00 43.42 H new ATOM 0 HB3 PHE A 34 -20.931 -8.938 -12.724 1.00 43.42 H new ATOM 0 HD1 PHE A 34 -22.000 -5.933 -10.854 1.00 71.03 H new ATOM 0 HD2 PHE A 34 -23.233 -9.597 -12.642 1.00 12.34 H new ATOM 0 HE1 PHE A 34 -24.349 -5.251 -10.625 1.00 72.13 H new ATOM 0 HE2 PHE A 34 -25.583 -8.918 -12.418 1.00 32.43 H new ATOM 0 HZ PHE A 34 -26.146 -6.743 -11.411 1.00 70.15 H new ATOM 568 N GLU A 35 -19.200 -7.252 -9.314 1.00 62.03 N ATOM 569 CA GLU A 35 -19.007 -6.247 -8.275 1.00 34.32 C ATOM 570 C GLU A 35 -19.910 -5.040 -8.511 1.00 55.03 C ATOM 571 O GLU A 35 -20.400 -4.807 -9.616 1.00 15.23 O ATOM 572 CB GLU A 35 -17.544 -5.802 -8.230 1.00 1.15 C ATOM 573 CG GLU A 35 -16.741 -6.462 -7.121 1.00 43.34 C ATOM 574 CD GLU A 35 -16.991 -7.954 -7.030 1.00 20.54 C ATOM 575 OE1 GLU A 35 -16.890 -8.638 -8.071 1.00 1.24 O ATOM 576 OE2 GLU A 35 -17.289 -8.440 -5.918 1.00 22.00 O ATOM 0 H GLU A 35 -18.363 -7.464 -9.857 1.00 62.03 H new ATOM 0 HA GLU A 35 -19.272 -6.696 -7.318 1.00 34.32 H new ATOM 0 HB2 GLU A 35 -17.075 -6.025 -9.189 1.00 1.15 H new ATOM 0 HB3 GLU A 35 -17.506 -4.720 -8.101 1.00 1.15 H new ATOM 0 HG2 GLU A 35 -15.679 -6.285 -7.291 1.00 43.34 H new ATOM 0 HG3 GLU A 35 -16.993 -5.996 -6.168 1.00 43.34 H new ATOM 946 N LEU A 60 -26.221 -12.965 -10.267 1.00 4.34 N ATOM 947 CA LEU A 60 -26.540 -13.506 -11.582 1.00 72.10 C ATOM 948 C LEU A 60 -26.315 -15.014 -11.620 1.00 42.20 C ATOM 949 O LEU A 60 -25.415 -15.534 -10.959 1.00 1.02 O ATOM 950 CB LEU A 60 -25.690 -12.825 -12.656 1.00 1.50 C ATOM 951 CG LEU A 60 -26.336 -11.636 -13.370 1.00 71.20 C ATOM 952 CD1 LEU A 60 -25.363 -11.013 -14.359 1.00 33.53 C ATOM 953 CD2 LEU A 60 -27.614 -12.067 -14.076 1.00 22.41 C ATOM 0 HA LEU A 60 -27.593 -13.309 -11.782 1.00 72.10 H new ATOM 0 HB2 LEU A 60 -24.762 -12.486 -12.196 1.00 1.50 H new ATOM 0 HB3 LEU A 60 -25.421 -13.570 -13.405 1.00 1.50 H new ATOM 0 HG LEU A 60 -26.593 -10.885 -12.623 1.00 71.20 H new ATOM 0 HD11 LEU A 60 -25.841 -10.169 -14.857 1.00 33.53 H new ATOM 0 HD12 LEU A 60 -24.476 -10.667 -13.828 1.00 33.53 H new ATOM 0 HD13 LEU A 60 -25.074 -11.756 -15.102 1.00 33.53 H new ATOM 0 HD21 LEU A 60 -28.060 -11.208 -14.578 1.00 22.41 H new ATOM 0 HD22 LEU A 60 -27.381 -12.837 -14.811 1.00 22.41 H new ATOM 0 HD23 LEU A 60 -28.317 -12.465 -13.344 1.00 22.41 H new ATOM 965 N SER A 61 -27.135 -15.710 -12.399 1.00 74.51 N ATOM 966 CA SER A 61 -27.026 -17.160 -12.521 1.00 53.34 C ATOM 967 C SER A 61 -26.925 -17.575 -13.987 1.00 14.20 C ATOM 968 O SER A 61 -27.672 -17.087 -14.835 1.00 42.22 O ATOM 969 CB SER A 61 -28.231 -17.840 -11.870 1.00 31.45 C ATOM 970 OG SER A 61 -28.147 -19.250 -11.989 1.00 4.14 O ATOM 0 H SER A 61 -27.882 -15.295 -12.955 1.00 74.51 H new ATOM 0 HA SER A 61 -26.118 -17.476 -12.007 1.00 53.34 H new ATOM 0 HB2 SER A 61 -28.284 -17.563 -10.817 1.00 31.45 H new ATOM 0 HB3 SER A 61 -29.149 -17.486 -12.339 1.00 31.45 H new ATOM 0 HG SER A 61 -28.928 -19.661 -11.563 1.00 4.14 H new ATOM 976 N PHE A 62 -25.996 -18.480 -14.276 1.00 25.31 N ATOM 977 CA PHE A 62 -25.795 -18.961 -15.638 1.00 1.23 C ATOM 978 C PHE A 62 -25.717 -20.485 -15.670 1.00 5.22 C ATOM 979 O PHE A 62 -24.971 -21.096 -14.905 1.00 31.41 O ATOM 980 CB PHE A 62 -24.519 -18.360 -16.231 1.00 13.33 C ATOM 981 CG PHE A 62 -24.602 -16.876 -16.452 1.00 24.21 C ATOM 982 CD1 PHE A 62 -25.144 -16.366 -17.620 1.00 74.54 C ATOM 983 CD2 PHE A 62 -24.137 -15.992 -15.492 1.00 64.23 C ATOM 984 CE1 PHE A 62 -25.222 -15.001 -17.828 1.00 34.41 C ATOM 985 CE2 PHE A 62 -24.212 -14.627 -15.693 1.00 73.24 C ATOM 986 CZ PHE A 62 -24.755 -14.131 -16.863 1.00 61.43 C ATOM 0 H PHE A 62 -25.370 -18.895 -13.585 1.00 25.31 H new ATOM 0 HA PHE A 62 -26.649 -18.646 -16.238 1.00 1.23 H new ATOM 0 HB2 PHE A 62 -23.683 -18.574 -15.565 1.00 13.33 H new ATOM 0 HB3 PHE A 62 -24.304 -18.849 -17.181 1.00 13.33 H new ATOM 0 HD1 PHE A 62 -25.510 -17.043 -18.378 1.00 74.54 H new ATOM 0 HD2 PHE A 62 -23.711 -16.374 -14.576 1.00 64.23 H new ATOM 0 HE1 PHE A 62 -25.647 -14.616 -18.743 1.00 34.41 H new ATOM 0 HE2 PHE A 62 -23.847 -13.948 -14.936 1.00 73.24 H new ATOM 0 HZ PHE A 62 -24.814 -13.064 -17.022 1.00 61.43 H new ATOM 996 N THR A 63 -26.491 -21.093 -16.563 1.00 0.24 N ATOM 997 CA THR A 63 -26.511 -22.543 -16.696 1.00 31.31 C ATOM 998 C THR A 63 -25.128 -23.083 -17.042 1.00 10.30 C ATOM 999 O THR A 63 -24.649 -24.036 -16.425 1.00 51.31 O ATOM 1000 CB THR A 63 -27.511 -22.995 -17.776 1.00 53.50 C ATOM 1001 OG1 THR A 63 -28.692 -22.186 -17.721 1.00 4.24 O ATOM 1002 CG2 THR A 63 -27.885 -24.458 -17.591 1.00 11.05 C ATOM 0 H THR A 63 -27.113 -20.602 -17.206 1.00 0.24 H new ATOM 0 HA THR A 63 -26.824 -22.944 -15.732 1.00 31.31 H new ATOM 0 HB THR A 63 -27.035 -22.878 -18.750 1.00 53.50 H new ATOM 0 HG1 THR A 63 -29.322 -22.479 -18.412 1.00 4.24 H new ATOM 0 HG21 THR A 63 -28.592 -24.754 -18.366 1.00 11.05 H new ATOM 0 HG22 THR A 63 -26.989 -25.075 -17.663 1.00 11.05 H new ATOM 0 HG23 THR A 63 -28.342 -24.596 -16.611 1.00 11.05 H new ATOM 1010 N THR A 64 -24.489 -22.469 -18.032 1.00 53.11 N ATOM 1011 CA THR A 64 -23.161 -22.888 -18.461 1.00 33.22 C ATOM 1012 C THR A 64 -22.131 -21.792 -18.211 1.00 75.14 C ATOM 1013 O THR A 64 -22.450 -20.604 -18.264 1.00 22.02 O ATOM 1014 CB THR A 64 -23.145 -23.261 -19.956 1.00 10.53 C ATOM 1015 OG1 THR A 64 -24.174 -22.548 -20.650 1.00 41.20 O ATOM 1016 CG2 THR A 64 -23.344 -24.758 -20.142 1.00 44.42 C ATOM 0 H THR A 64 -24.870 -21.679 -18.552 1.00 53.11 H new ATOM 0 HA THR A 64 -22.902 -23.768 -17.872 1.00 33.22 H new ATOM 0 HB THR A 64 -22.173 -22.986 -20.366 1.00 10.53 H new ATOM 0 HG1 THR A 64 -24.156 -22.789 -21.600 1.00 41.20 H new ATOM 0 HG21 THR A 64 -23.329 -24.998 -21.205 1.00 44.42 H new ATOM 0 HG22 THR A 64 -22.542 -25.297 -19.637 1.00 44.42 H new ATOM 0 HG23 THR A 64 -24.303 -25.053 -19.717 1.00 44.42 H new ATOM 1024 N ARG A 65 -20.896 -22.199 -17.940 1.00 21.52 N ATOM 1025 CA ARG A 65 -19.819 -21.250 -17.681 1.00 73.14 C ATOM 1026 C ARG A 65 -19.625 -20.311 -18.867 1.00 55.41 C ATOM 1027 O ARG A 65 -19.444 -19.106 -18.694 1.00 0.11 O ATOM 1028 CB ARG A 65 -18.515 -21.994 -17.388 1.00 32.30 C ATOM 1029 CG ARG A 65 -18.106 -22.963 -18.486 1.00 43.21 C ATOM 1030 CD ARG A 65 -17.069 -22.348 -19.413 1.00 52.40 C ATOM 1031 NE ARG A 65 -15.709 -22.527 -18.909 1.00 74.00 N ATOM 1032 CZ ARG A 65 -14.644 -21.946 -19.447 1.00 52.42 C ATOM 1033 NH1 ARG A 65 -14.779 -21.151 -20.500 1.00 12.54 N ATOM 1034 NH2 ARG A 65 -13.440 -22.158 -18.932 1.00 61.34 N ATOM 0 H ARG A 65 -20.616 -23.179 -17.894 1.00 21.52 H new ATOM 0 HA ARG A 65 -20.094 -20.655 -16.810 1.00 73.14 H new ATOM 0 HB2 ARG A 65 -17.717 -21.266 -17.241 1.00 32.30 H new ATOM 0 HB3 ARG A 65 -18.622 -22.543 -16.452 1.00 32.30 H new ATOM 0 HG2 ARG A 65 -17.703 -23.872 -18.039 1.00 43.21 H new ATOM 0 HG3 ARG A 65 -18.984 -23.253 -19.062 1.00 43.21 H new ATOM 0 HD2 ARG A 65 -17.152 -22.801 -20.401 1.00 52.40 H new ATOM 0 HD3 ARG A 65 -17.274 -21.284 -19.532 1.00 52.40 H new ATOM 0 HE ARG A 65 -15.571 -23.132 -18.099 1.00 74.00 H new ATOM 0 HH11 ARG A 65 -15.703 -20.985 -20.898 1.00 12.54 H new ATOM 0 HH12 ARG A 65 -13.959 -20.706 -20.911 1.00 12.54 H new ATOM 0 HH21 ARG A 65 -13.332 -22.768 -18.122 1.00 61.34 H new ATOM 0 HH22 ARG A 65 -12.622 -21.711 -19.346 1.00 61.34 H new ATOM 1048 N GLU A 66 -19.664 -20.872 -20.072 1.00 42.32 N ATOM 1049 CA GLU A 66 -19.492 -20.083 -21.287 1.00 0.11 C ATOM 1050 C GLU A 66 -20.441 -18.889 -21.300 1.00 34.23 C ATOM 1051 O GLU A 66 -20.134 -17.842 -21.872 1.00 70.13 O ATOM 1052 CB GLU A 66 -19.730 -20.951 -22.524 1.00 61.41 C ATOM 1053 CG GLU A 66 -18.937 -20.508 -23.741 1.00 52.13 C ATOM 1054 CD GLU A 66 -19.536 -21.007 -25.042 1.00 35.43 C ATOM 1055 OE1 GLU A 66 -20.780 -21.000 -25.163 1.00 23.31 O ATOM 1056 OE2 GLU A 66 -18.763 -21.407 -25.937 1.00 52.31 O ATOM 0 H GLU A 66 -19.813 -21.868 -20.233 1.00 42.32 H new ATOM 0 HA GLU A 66 -18.468 -19.711 -21.305 1.00 0.11 H new ATOM 0 HB2 GLU A 66 -19.471 -21.983 -22.288 1.00 61.41 H new ATOM 0 HB3 GLU A 66 -20.792 -20.937 -22.768 1.00 61.41 H new ATOM 0 HG2 GLU A 66 -18.889 -19.419 -23.762 1.00 52.13 H new ATOM 0 HG3 GLU A 66 -17.913 -20.871 -23.654 1.00 52.13 H new ATOM 1063 N LEU A 67 -21.597 -19.053 -20.665 1.00 53.42 N ATOM 1064 CA LEU A 67 -22.594 -17.990 -20.604 1.00 3.25 C ATOM 1065 C LEU A 67 -22.126 -16.858 -19.694 1.00 2.13 C ATOM 1066 O LEU A 67 -22.343 -15.682 -19.988 1.00 34.30 O ATOM 1067 CB LEU A 67 -23.929 -18.543 -20.104 1.00 31.35 C ATOM 1068 CG LEU A 67 -25.172 -18.096 -20.873 1.00 12.55 C ATOM 1069 CD1 LEU A 67 -25.084 -18.530 -22.328 1.00 55.30 C ATOM 1070 CD2 LEU A 67 -26.431 -18.652 -20.224 1.00 30.44 C ATOM 0 H LEU A 67 -21.867 -19.912 -20.185 1.00 53.42 H new ATOM 0 HA LEU A 67 -22.728 -17.592 -21.610 1.00 3.25 H new ATOM 0 HB2 LEU A 67 -23.881 -19.632 -20.132 1.00 31.35 H new ATOM 0 HB3 LEU A 67 -24.050 -18.256 -19.060 1.00 31.35 H new ATOM 0 HG LEU A 67 -25.222 -17.008 -20.842 1.00 12.55 H new ATOM 0 HD11 LEU A 67 -25.978 -18.203 -22.860 1.00 55.30 H new ATOM 0 HD12 LEU A 67 -24.203 -18.082 -22.789 1.00 55.30 H new ATOM 0 HD13 LEU A 67 -25.008 -19.616 -22.380 1.00 55.30 H new ATOM 0 HD21 LEU A 67 -27.305 -18.323 -20.785 1.00 30.44 H new ATOM 0 HD22 LEU A 67 -26.389 -19.741 -20.223 1.00 30.44 H new ATOM 0 HD23 LEU A 67 -26.502 -18.291 -19.198 1.00 30.44 H new ATOM 1082 N ALA A 68 -21.482 -17.220 -18.590 1.00 11.04 N ATOM 1083 CA ALA A 68 -20.980 -16.235 -17.640 1.00 22.10 C ATOM 1084 C ALA A 68 -19.830 -15.432 -18.237 1.00 41.34 C ATOM 1085 O ALA A 68 -19.926 -14.214 -18.392 1.00 34.11 O ATOM 1086 CB ALA A 68 -20.536 -16.920 -16.356 1.00 11.24 C ATOM 0 H ALA A 68 -21.295 -18.189 -18.331 1.00 11.04 H new ATOM 0 HA ALA A 68 -21.790 -15.543 -17.410 1.00 22.10 H new ATOM 0 HB1 ALA A 68 -20.163 -16.173 -15.655 1.00 11.24 H new ATOM 0 HB2 ALA A 68 -21.382 -17.444 -15.912 1.00 11.24 H new ATOM 0 HB3 ALA A 68 -19.744 -17.634 -16.580 1.00 11.24 H new ATOM 1092 N ILE A 69 -18.744 -16.120 -18.572 1.00 61.24 N ATOM 1093 CA ILE A 69 -17.577 -15.470 -19.153 1.00 71.33 C ATOM 1094 C ILE A 69 -17.961 -14.637 -20.372 1.00 74.32 C ATOM 1095 O ILE A 69 -17.376 -13.585 -20.626 1.00 12.53 O ATOM 1096 CB ILE A 69 -16.506 -16.498 -19.565 1.00 14.33 C ATOM 1097 CG1 ILE A 69 -16.062 -17.319 -18.353 1.00 32.22 C ATOM 1098 CG2 ILE A 69 -15.315 -15.797 -20.201 1.00 45.55 C ATOM 1099 CD1 ILE A 69 -16.588 -18.738 -18.358 1.00 3.42 C ATOM 0 H ILE A 69 -18.648 -17.128 -18.451 1.00 61.24 H new ATOM 0 HA ILE A 69 -17.165 -14.816 -18.384 1.00 71.33 H new ATOM 0 HB ILE A 69 -16.939 -17.176 -20.300 1.00 14.33 H new ATOM 0 HG12 ILE A 69 -14.973 -17.344 -18.321 1.00 32.22 H new ATOM 0 HG13 ILE A 69 -16.396 -16.819 -17.444 1.00 32.22 H new ATOM 0 HG21 ILE A 69 -14.567 -16.537 -20.486 1.00 45.55 H new ATOM 0 HG22 ILE A 69 -15.643 -15.253 -21.086 1.00 45.55 H new ATOM 0 HG23 ILE A 69 -14.880 -15.098 -19.486 1.00 45.55 H new ATOM 0 HD11 ILE A 69 -16.233 -19.261 -17.470 1.00 3.42 H new ATOM 0 HD12 ILE A 69 -17.678 -18.722 -18.359 1.00 3.42 H new ATOM 0 HD13 ILE A 69 -16.232 -19.255 -19.249 1.00 3.42 H new ATOM 1111 N ALA A 70 -18.948 -15.116 -21.121 1.00 53.20 N ATOM 1112 CA ALA A 70 -19.413 -14.414 -22.311 1.00 14.24 C ATOM 1113 C ALA A 70 -19.871 -13.000 -21.969 1.00 44.04 C ATOM 1114 O ALA A 70 -19.845 -12.107 -22.817 1.00 42.35 O ATOM 1115 CB ALA A 70 -20.542 -15.190 -22.974 1.00 4.11 C ATOM 0 H ALA A 70 -19.441 -15.987 -20.925 1.00 53.20 H new ATOM 0 HA ALA A 70 -18.579 -14.340 -23.009 1.00 14.24 H new ATOM 0 HB1 ALA A 70 -20.880 -14.654 -23.861 1.00 4.11 H new ATOM 0 HB2 ALA A 70 -20.184 -16.179 -23.261 1.00 4.11 H new ATOM 0 HB3 ALA A 70 -21.372 -15.293 -22.275 1.00 4.11 H new ATOM 1121 N TYR A 71 -20.290 -12.802 -20.725 1.00 22.30 N ATOM 1122 CA TYR A 71 -20.756 -11.497 -20.273 1.00 51.34 C ATOM 1123 C TYR A 71 -19.579 -10.581 -19.950 1.00 14.34 C ATOM 1124 O TYR A 71 -19.466 -9.483 -20.493 1.00 42.34 O ATOM 1125 CB TYR A 71 -21.651 -11.649 -19.042 1.00 73.45 C ATOM 1126 CG TYR A 71 -22.128 -10.332 -18.474 1.00 31.54 C ATOM 1127 CD1 TYR A 71 -22.573 -9.313 -19.307 1.00 64.32 C ATOM 1128 CD2 TYR A 71 -22.133 -10.106 -17.103 1.00 14.42 C ATOM 1129 CE1 TYR A 71 -23.008 -8.108 -18.793 1.00 34.24 C ATOM 1130 CE2 TYR A 71 -22.570 -8.905 -16.579 1.00 45.10 C ATOM 1131 CZ TYR A 71 -23.005 -7.909 -17.428 1.00 12.43 C ATOM 1132 OH TYR A 71 -23.439 -6.709 -16.910 1.00 33.22 O ATOM 0 H TYR A 71 -20.317 -13.530 -20.011 1.00 22.30 H new ATOM 0 HA TYR A 71 -21.334 -11.046 -21.080 1.00 51.34 H new ATOM 0 HB2 TYR A 71 -22.517 -12.256 -19.306 1.00 73.45 H new ATOM 0 HB3 TYR A 71 -21.104 -12.191 -18.270 1.00 73.45 H new ATOM 0 HD1 TYR A 71 -22.579 -9.466 -20.376 1.00 64.32 H new ATOM 0 HD2 TYR A 71 -21.789 -10.883 -16.436 1.00 14.42 H new ATOM 0 HE1 TYR A 71 -23.349 -7.326 -19.455 1.00 34.24 H new ATOM 0 HE2 TYR A 71 -22.571 -8.747 -15.511 1.00 45.10 H new ATOM 0 HH TYR A 71 -23.374 -6.732 -15.932 1.00 33.22 H new ATOM 1142 N ALA A 72 -18.706 -11.041 -19.060 1.00 73.22 N ATOM 1143 CA ALA A 72 -17.537 -10.266 -18.665 1.00 43.33 C ATOM 1144 C ALA A 72 -16.684 -9.903 -19.876 1.00 35.32 C ATOM 1145 O ALA A 72 -16.386 -8.732 -20.110 1.00 2.15 O ATOM 1146 CB ALA A 72 -16.711 -11.037 -17.647 1.00 72.45 C ATOM 0 H ALA A 72 -18.787 -11.947 -18.599 1.00 73.22 H new ATOM 0 HA ALA A 72 -17.884 -9.340 -18.207 1.00 43.33 H new ATOM 0 HB1 ALA A 72 -15.841 -10.446 -17.361 1.00 72.45 H new ATOM 0 HB2 ALA A 72 -17.318 -11.240 -16.764 1.00 72.45 H new ATOM 0 HB3 ALA A 72 -16.381 -11.979 -18.085 1.00 72.45 H new ATOM 1152 N VAL A 73 -16.293 -10.916 -20.643 1.00 44.01 N ATOM 1153 CA VAL A 73 -15.474 -10.704 -21.830 1.00 64.22 C ATOM 1154 C VAL A 73 -16.092 -9.650 -22.743 1.00 11.02 C ATOM 1155 O VAL A 73 -15.382 -8.899 -23.411 1.00 24.41 O ATOM 1156 CB VAL A 73 -15.289 -12.009 -22.625 1.00 73.43 C ATOM 1157 CG1 VAL A 73 -14.461 -11.761 -23.876 1.00 45.34 C ATOM 1158 CG2 VAL A 73 -14.645 -13.077 -21.753 1.00 24.11 C ATOM 0 H VAL A 73 -16.530 -11.892 -20.463 1.00 44.01 H new ATOM 0 HA VAL A 73 -14.500 -10.357 -21.484 1.00 64.22 H new ATOM 0 HB VAL A 73 -16.271 -12.367 -22.934 1.00 73.43 H new ATOM 0 HG11 VAL A 73 -14.341 -12.695 -24.424 1.00 45.34 H new ATOM 0 HG12 VAL A 73 -14.967 -11.031 -24.508 1.00 45.34 H new ATOM 0 HG13 VAL A 73 -13.480 -11.378 -23.593 1.00 45.34 H new ATOM 0 HG21 VAL A 73 -14.522 -13.993 -22.331 1.00 24.11 H new ATOM 0 HG22 VAL A 73 -13.670 -12.729 -21.412 1.00 24.11 H new ATOM 0 HG23 VAL A 73 -15.282 -13.275 -20.891 1.00 24.11 H new ATOM 1168 N ALA A 74 -17.420 -9.600 -22.766 1.00 25.23 N ATOM 1169 CA ALA A 74 -18.133 -8.636 -23.593 1.00 53.44 C ATOM 1170 C ALA A 74 -17.669 -7.212 -23.305 1.00 31.33 C ATOM 1171 O ALA A 74 -17.752 -6.335 -24.164 1.00 33.34 O ATOM 1172 CB ALA A 74 -19.634 -8.759 -23.372 1.00 62.32 C ATOM 0 H ALA A 74 -18.023 -10.216 -22.221 1.00 25.23 H new ATOM 0 HA ALA A 74 -17.910 -8.857 -24.637 1.00 53.44 H new ATOM 0 HB1 ALA A 74 -20.154 -8.033 -23.996 1.00 62.32 H new ATOM 0 HB2 ALA A 74 -19.960 -9.765 -23.637 1.00 62.32 H new ATOM 0 HB3 ALA A 74 -19.864 -8.568 -22.324 1.00 62.32 H new ATOM 1178 N HIS A 75 -17.181 -6.990 -22.088 1.00 65.03 N ATOM 1179 CA HIS A 75 -16.703 -5.672 -21.685 1.00 2.32 C ATOM 1180 C HIS A 75 -15.280 -5.753 -21.141 1.00 73.13 C ATOM 1181 O HIS A 75 -14.865 -4.924 -20.331 1.00 31.02 O ATOM 1182 CB HIS A 75 -17.631 -5.070 -20.630 1.00 0.42 C ATOM 1183 CG HIS A 75 -18.839 -4.400 -21.209 1.00 11.31 C ATOM 1184 ND1 HIS A 75 -19.232 -3.125 -20.859 1.00 50.41 N ATOM 1185 CD2 HIS A 75 -19.743 -4.833 -22.119 1.00 20.52 C ATOM 1186 CE1 HIS A 75 -20.325 -2.805 -21.528 1.00 5.32 C ATOM 1187 NE2 HIS A 75 -20.656 -3.824 -22.300 1.00 32.34 N ATOM 0 H HIS A 75 -17.106 -7.705 -21.365 1.00 65.03 H new ATOM 0 HA HIS A 75 -16.701 -5.029 -22.565 1.00 2.32 H new ATOM 0 HB2 HIS A 75 -17.954 -5.858 -19.949 1.00 0.42 H new ATOM 0 HB3 HIS A 75 -17.073 -4.345 -20.037 1.00 0.42 H new ATOM 0 HD2 HIS A 75 -19.745 -5.794 -22.611 1.00 20.52 H new ATOM 0 HE1 HIS A 75 -20.858 -1.868 -21.456 1.00 5.32 H new ATOM 0 HE2 HIS A 75 -21.459 -3.856 -22.928 1.00 32.34 H new ATOM 1195 N LYS A 76 -14.535 -6.758 -21.591 1.00 14.34 N ATOM 1196 CA LYS A 76 -13.159 -6.947 -21.150 1.00 72.54 C ATOM 1197 C LYS A 76 -13.072 -6.955 -19.628 1.00 24.20 C ATOM 1198 O LYS A 76 -12.071 -6.527 -19.053 1.00 25.13 O ATOM 1199 CB LYS A 76 -12.263 -5.845 -21.717 1.00 42.32 C ATOM 1200 CG LYS A 76 -10.835 -6.293 -21.976 1.00 62.42 C ATOM 1201 CD LYS A 76 -10.736 -7.141 -23.233 1.00 72.15 C ATOM 1202 CE LYS A 76 -10.745 -6.282 -24.488 1.00 2.42 C ATOM 1203 NZ LYS A 76 -9.423 -5.640 -24.729 1.00 41.25 N ATOM 0 H LYS A 76 -14.862 -7.454 -22.261 1.00 14.34 H new ATOM 0 HA LYS A 76 -12.815 -7.912 -21.521 1.00 72.54 H new ATOM 0 HB2 LYS A 76 -12.695 -5.481 -22.649 1.00 42.32 H new ATOM 0 HB3 LYS A 76 -12.251 -5.005 -21.022 1.00 42.32 H new ATOM 0 HG2 LYS A 76 -10.191 -5.419 -22.074 1.00 62.42 H new ATOM 0 HG3 LYS A 76 -10.471 -6.863 -21.122 1.00 62.42 H new ATOM 0 HD2 LYS A 76 -9.821 -7.733 -23.203 1.00 72.15 H new ATOM 0 HD3 LYS A 76 -11.569 -7.843 -23.266 1.00 72.15 H new ATOM 0 HE2 LYS A 76 -11.012 -6.897 -25.347 1.00 2.42 H new ATOM 0 HE3 LYS A 76 -11.511 -5.512 -24.396 1.00 2.42 H new ATOM 0 HZ1 LYS A 76 -9.449 -5.118 -25.628 1.00 41.25 H new ATOM 0 HZ2 LYS A 76 -9.210 -4.982 -23.953 1.00 41.25 H new ATOM 0 HZ3 LYS A 76 -8.685 -6.371 -24.775 1.00 41.25 H new ATOM 1217 N ILE A 77 -14.123 -7.446 -18.982 1.00 15.12 N ATOM 1218 CA ILE A 77 -14.163 -7.512 -17.526 1.00 62.01 C ATOM 1219 C ILE A 77 -13.395 -8.724 -17.009 1.00 52.32 C ATOM 1220 O ILE A 77 -13.477 -9.813 -17.578 1.00 12.53 O ATOM 1221 CB ILE A 77 -15.611 -7.574 -17.004 1.00 73.34 C ATOM 1222 CG1 ILE A 77 -16.400 -6.353 -17.477 1.00 44.43 C ATOM 1223 CG2 ILE A 77 -15.623 -7.665 -15.485 1.00 41.12 C ATOM 1224 CD1 ILE A 77 -17.896 -6.494 -17.301 1.00 53.15 C ATOM 0 H ILE A 77 -14.959 -7.804 -19.443 1.00 15.12 H new ATOM 0 HA ILE A 77 -13.691 -6.602 -17.156 1.00 62.01 H new ATOM 0 HB ILE A 77 -16.088 -8.468 -17.405 1.00 73.34 H new ATOM 0 HG12 ILE A 77 -16.059 -5.475 -16.928 1.00 44.43 H new ATOM 0 HG13 ILE A 77 -16.181 -6.175 -18.530 1.00 44.43 H new ATOM 0 HG21 ILE A 77 -16.653 -7.708 -15.131 1.00 41.12 H new ATOM 0 HG22 ILE A 77 -15.093 -8.564 -15.170 1.00 41.12 H new ATOM 0 HG23 ILE A 77 -15.131 -6.788 -15.064 1.00 41.12 H new ATOM 0 HD11 ILE A 77 -18.391 -5.591 -17.658 1.00 53.15 H new ATOM 0 HD12 ILE A 77 -18.250 -7.352 -17.873 1.00 53.15 H new ATOM 0 HD13 ILE A 77 -18.126 -6.641 -16.246 1.00 53.15 H new ATOM 1236 N ASP A 78 -12.649 -8.527 -15.927 1.00 14.44 N ATOM 1237 CA ASP A 78 -11.869 -9.605 -15.331 1.00 64.23 C ATOM 1238 C ASP A 78 -12.777 -10.612 -14.634 1.00 70.51 C ATOM 1239 O ASP A 78 -13.311 -10.341 -13.558 1.00 33.21 O ATOM 1240 CB ASP A 78 -10.856 -9.039 -14.335 1.00 3.13 C ATOM 1241 CG ASP A 78 -9.947 -8.000 -14.962 1.00 5.00 C ATOM 1242 OD1 ASP A 78 -9.100 -8.379 -15.799 1.00 3.34 O ATOM 1243 OD2 ASP A 78 -10.081 -6.807 -14.616 1.00 32.34 O ATOM 0 H ASP A 78 -12.568 -7.631 -15.445 1.00 14.44 H new ATOM 0 HA ASP A 78 -11.334 -10.118 -16.130 1.00 64.23 H new ATOM 0 HB2 ASP A 78 -11.387 -8.593 -13.494 1.00 3.13 H new ATOM 0 HB3 ASP A 78 -10.251 -9.852 -13.934 1.00 3.13 H new ATOM 1248 N TYR A 79 -12.948 -11.775 -15.253 1.00 50.12 N ATOM 1249 CA TYR A 79 -13.794 -12.822 -14.694 1.00 71.53 C ATOM 1250 C TYR A 79 -12.953 -13.897 -14.012 1.00 74.15 C ATOM 1251 O TYR A 79 -11.913 -14.310 -14.528 1.00 51.34 O ATOM 1252 CB TYR A 79 -14.654 -13.451 -15.791 1.00 53.12 C ATOM 1253 CG TYR A 79 -13.850 -14.124 -16.881 1.00 43.34 C ATOM 1254 CD1 TYR A 79 -13.430 -15.441 -16.750 1.00 23.34 C ATOM 1255 CD2 TYR A 79 -13.512 -13.441 -18.043 1.00 52.43 C ATOM 1256 CE1 TYR A 79 -12.694 -16.058 -17.742 1.00 22.30 C ATOM 1257 CE2 TYR A 79 -12.778 -14.051 -19.042 1.00 5.43 C ATOM 1258 CZ TYR A 79 -12.371 -15.359 -18.886 1.00 65.11 C ATOM 1259 OH TYR A 79 -11.639 -15.971 -19.878 1.00 71.04 O ATOM 0 H TYR A 79 -12.511 -12.016 -16.143 1.00 50.12 H new ATOM 0 HA TYR A 79 -14.445 -12.368 -13.947 1.00 71.53 H new ATOM 0 HB2 TYR A 79 -15.324 -14.183 -15.340 1.00 53.12 H new ATOM 0 HB3 TYR A 79 -15.280 -12.679 -16.238 1.00 53.12 H new ATOM 0 HD1 TYR A 79 -13.683 -15.992 -15.857 1.00 23.34 H new ATOM 0 HD2 TYR A 79 -13.828 -12.416 -18.167 1.00 52.43 H new ATOM 0 HE1 TYR A 79 -12.373 -17.082 -17.623 1.00 22.30 H new ATOM 0 HE2 TYR A 79 -12.525 -13.507 -19.940 1.00 5.43 H new ATOM 0 HH TYR A 79 -11.498 -15.342 -20.616 1.00 71.04 H new ATOM 1269 N THR A 80 -13.411 -14.348 -12.849 1.00 24.00 N ATOM 1270 CA THR A 80 -12.702 -15.374 -12.095 1.00 22.32 C ATOM 1271 C THR A 80 -13.559 -16.622 -11.925 1.00 34.30 C ATOM 1272 O THR A 80 -14.650 -16.566 -11.360 1.00 13.12 O ATOM 1273 CB THR A 80 -12.282 -14.860 -10.704 1.00 13.31 C ATOM 1274 OG1 THR A 80 -11.665 -15.915 -9.958 1.00 64.43 O ATOM 1275 CG2 THR A 80 -13.484 -14.327 -9.939 1.00 71.34 C ATOM 0 H THR A 80 -14.270 -14.019 -12.409 1.00 24.00 H new ATOM 0 HA THR A 80 -11.808 -15.625 -12.667 1.00 22.32 H new ATOM 0 HB THR A 80 -11.569 -14.047 -10.841 1.00 13.31 H new ATOM 0 HG1 THR A 80 -11.400 -15.580 -9.076 1.00 64.43 H new ATOM 0 HG21 THR A 80 -13.163 -13.970 -8.960 1.00 71.34 H new ATOM 0 HG22 THR A 80 -13.934 -13.505 -10.496 1.00 71.34 H new ATOM 0 HG23 THR A 80 -14.217 -15.124 -9.812 1.00 71.34 H new ATOM 1283 N VAL A 81 -13.057 -17.750 -12.419 1.00 31.44 N ATOM 1284 CA VAL A 81 -13.777 -19.015 -12.320 1.00 12.21 C ATOM 1285 C VAL A 81 -13.345 -19.798 -11.086 1.00 62.54 C ATOM 1286 O VAL A 81 -12.180 -20.175 -10.953 1.00 43.21 O ATOM 1287 CB VAL A 81 -13.557 -19.885 -13.571 1.00 42.14 C ATOM 1288 CG1 VAL A 81 -14.457 -21.110 -13.535 1.00 60.33 C ATOM 1289 CG2 VAL A 81 -13.799 -19.073 -14.834 1.00 64.23 C ATOM 0 H VAL A 81 -12.155 -17.814 -12.891 1.00 31.44 H new ATOM 0 HA VAL A 81 -14.836 -18.771 -12.239 1.00 12.21 H new ATOM 0 HB VAL A 81 -12.521 -20.225 -13.578 1.00 42.14 H new ATOM 0 HG11 VAL A 81 -14.287 -21.713 -14.427 1.00 60.33 H new ATOM 0 HG12 VAL A 81 -14.230 -21.702 -12.649 1.00 60.33 H new ATOM 0 HG13 VAL A 81 -15.500 -20.794 -13.503 1.00 60.33 H new ATOM 0 HG21 VAL A 81 -13.639 -19.704 -15.708 1.00 64.23 H new ATOM 0 HG22 VAL A 81 -14.824 -18.702 -14.837 1.00 64.23 H new ATOM 0 HG23 VAL A 81 -13.108 -18.231 -14.863 1.00 64.23 H new ATOM 1299 N LEU A 82 -14.291 -20.042 -10.185 1.00 63.44 N ATOM 1300 CA LEU A 82 -14.008 -20.783 -8.961 1.00 74.31 C ATOM 1301 C LEU A 82 -14.650 -22.166 -9.001 1.00 15.13 C ATOM 1302 O LEU A 82 -15.874 -22.293 -8.947 1.00 21.43 O ATOM 1303 CB LEU A 82 -14.515 -20.008 -7.744 1.00 45.32 C ATOM 1304 CG LEU A 82 -13.499 -19.088 -7.063 1.00 52.44 C ATOM 1305 CD1 LEU A 82 -14.202 -18.116 -6.129 1.00 44.14 C ATOM 1306 CD2 LEU A 82 -12.463 -19.905 -6.305 1.00 74.13 C ATOM 0 H LEU A 82 -15.260 -19.738 -10.279 1.00 63.44 H new ATOM 0 HA LEU A 82 -12.928 -20.906 -8.882 1.00 74.31 H new ATOM 0 HB2 LEU A 82 -15.371 -19.407 -8.052 1.00 45.32 H new ATOM 0 HB3 LEU A 82 -14.877 -20.725 -7.007 1.00 45.32 H new ATOM 0 HG LEU A 82 -12.985 -18.513 -7.833 1.00 52.44 H new ATOM 0 HD11 LEU A 82 -13.464 -17.470 -5.654 1.00 44.14 H new ATOM 0 HD12 LEU A 82 -14.904 -17.507 -6.699 1.00 44.14 H new ATOM 0 HD13 LEU A 82 -14.743 -18.673 -5.364 1.00 44.14 H new ATOM 0 HD21 LEU A 82 -11.749 -19.234 -5.827 1.00 74.13 H new ATOM 0 HD22 LEU A 82 -12.960 -20.507 -5.544 1.00 74.13 H new ATOM 0 HD23 LEU A 82 -11.937 -20.560 -7.000 1.00 74.13 H new