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= -0.684 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= 0.0158 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=-0.0022) USER MOD Single : A 76 LYS NZ :NH3+ 173:sc= -0.0167 (180deg=-0.151) 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 -15.625 -6.161 -11.810 1.00 23.10 N ATOM 125 CA ARG A 9 -15.080 -7.512 -11.885 1.00 50.21 C ATOM 126 C ARG A 9 -16.195 -8.551 -11.808 1.00 1.04 C ATOM 127 O ARG A 9 -17.181 -8.366 -11.095 1.00 63.23 O ATOM 128 CB ARG A 9 -14.074 -7.742 -10.756 1.00 13.11 C ATOM 129 CG ARG A 9 -12.877 -6.807 -10.807 1.00 41.23 C ATOM 130 CD ARG A 9 -12.014 -6.938 -9.562 1.00 21.31 C ATOM 131 NE ARG A 9 -11.377 -8.249 -9.473 1.00 21.03 N ATOM 132 CZ ARG A 9 -10.891 -8.755 -8.345 1.00 74.11 C ATOM 133 NH1 ARG A 9 -10.971 -8.065 -7.216 1.00 13.31 N ATOM 134 NH2 ARG A 9 -10.326 -9.956 -8.344 1.00 10.13 N ATOM 0 HA ARG A 9 -14.571 -7.620 -12.843 1.00 50.21 H new ATOM 0 HB2 ARG A 9 -14.580 -7.618 -9.799 1.00 13.11 H new ATOM 0 HB3 ARG A 9 -13.721 -8.773 -10.799 1.00 13.11 H new ATOM 0 HG2 ARG A 9 -12.279 -7.028 -11.691 1.00 41.23 H new ATOM 0 HG3 ARG A 9 -13.222 -5.778 -10.905 1.00 41.23 H new ATOM 0 HD2 ARG A 9 -11.248 -6.163 -9.569 1.00 21.31 H new ATOM 0 HD3 ARG A 9 -12.628 -6.772 -8.677 1.00 21.31 H new ATOM 0 HE ARG A 9 -11.301 -8.807 -10.324 1.00 21.03 H new ATOM 0 HH11 ARG A 9 -11.407 -7.143 -7.212 1.00 13.31 H new ATOM 0 HH12 ARG A 9 -10.597 -8.456 -6.352 1.00 13.31 H new ATOM 0 HH21 ARG A 9 -10.265 -10.491 -9.210 1.00 10.13 H new ATOM 0 HH22 ARG A 9 -9.953 -10.343 -7.477 1.00 10.13 H new ATOM 148 N ALA A 10 -16.029 -9.644 -12.546 1.00 13.23 N ATOM 149 CA ALA A 10 -17.019 -10.714 -12.560 1.00 31.03 C ATOM 150 C ALA A 10 -16.569 -11.889 -11.698 1.00 14.22 C ATOM 151 O ALA A 10 -15.522 -12.487 -11.944 1.00 55.33 O ATOM 152 CB ALA A 10 -17.280 -11.172 -13.986 1.00 33.41 C ATOM 0 H ALA A 10 -15.218 -9.812 -13.142 1.00 13.23 H new ATOM 0 HA ALA A 10 -17.946 -10.324 -12.140 1.00 31.03 H new ATOM 0 HB1 ALA A 10 -18.021 -11.971 -13.982 1.00 33.41 H new ATOM 0 HB2 ALA A 10 -17.653 -10.334 -14.575 1.00 33.41 H new ATOM 0 HB3 ALA A 10 -16.353 -11.540 -14.426 1.00 33.41 H new ATOM 158 N ARG A 11 -17.368 -12.214 -10.686 1.00 3.14 N ATOM 159 CA ARG A 11 -17.051 -13.317 -9.787 1.00 23.43 C ATOM 160 C ARG A 11 -17.836 -14.569 -10.164 1.00 60.33 C ATOM 161 O ARG A 11 -19.026 -14.681 -9.868 1.00 70.11 O ATOM 162 CB ARG A 11 -17.357 -12.928 -8.339 1.00 51.42 C ATOM 163 CG ARG A 11 -16.544 -13.701 -7.315 1.00 61.32 C ATOM 164 CD ARG A 11 -16.911 -13.301 -5.894 1.00 42.54 C ATOM 165 NE ARG A 11 -16.556 -14.334 -4.926 1.00 15.04 N ATOM 166 CZ ARG A 11 -16.824 -14.246 -3.627 1.00 25.32 C ATOM 167 NH1 ARG A 11 -17.445 -13.180 -3.145 1.00 3.42 N ATOM 168 NH2 ARG A 11 -16.469 -15.228 -2.808 1.00 20.42 N ATOM 0 H ARG A 11 -18.239 -11.729 -10.469 1.00 3.14 H new ATOM 0 HA ARG A 11 -15.987 -13.534 -9.881 1.00 23.43 H new ATOM 0 HB2 ARG A 11 -17.168 -11.862 -8.211 1.00 51.42 H new ATOM 0 HB3 ARG A 11 -18.417 -13.089 -8.145 1.00 51.42 H new ATOM 0 HG2 ARG A 11 -16.711 -14.770 -7.448 1.00 61.32 H new ATOM 0 HG3 ARG A 11 -15.482 -13.522 -7.482 1.00 61.32 H new ATOM 0 HD2 ARG A 11 -16.402 -12.372 -5.636 1.00 42.54 H new ATOM 0 HD3 ARG A 11 -17.982 -13.104 -5.838 1.00 42.54 H new ATOM 0 HE ARG A 11 -16.077 -15.168 -5.264 1.00 15.04 H new ATOM 0 HH11 ARG A 11 -17.719 -12.423 -3.771 1.00 3.42 H new ATOM 0 HH12 ARG A 11 -17.649 -13.116 -2.148 1.00 3.42 H new ATOM 0 HH21 ARG A 11 -15.990 -16.050 -3.175 1.00 20.42 H new ATOM 0 HH22 ARG A 11 -16.675 -15.160 -1.811 1.00 20.42 H new ATOM 182 N ILE A 12 -17.162 -15.509 -10.821 1.00 4.42 N ATOM 183 CA ILE A 12 -17.796 -16.753 -11.238 1.00 54.15 C ATOM 184 C ILE A 12 -17.402 -17.906 -10.321 1.00 2.40 C ATOM 185 O ILE A 12 -16.220 -18.126 -10.057 1.00 11.45 O ATOM 186 CB ILE A 12 -17.424 -17.115 -12.688 1.00 32.24 C ATOM 187 CG1 ILE A 12 -17.805 -15.976 -13.636 1.00 13.54 C ATOM 188 CG2 ILE A 12 -18.110 -18.408 -13.103 1.00 2.50 C ATOM 189 CD1 ILE A 12 -17.142 -16.071 -14.992 1.00 54.24 C ATOM 0 H ILE A 12 -16.177 -15.432 -11.075 1.00 4.42 H new ATOM 0 HA ILE A 12 -18.873 -16.595 -11.176 1.00 54.15 H new ATOM 0 HB ILE A 12 -16.346 -17.263 -12.744 1.00 32.24 H new ATOM 0 HG12 ILE A 12 -18.887 -15.971 -13.769 1.00 13.54 H new ATOM 0 HG13 ILE A 12 -17.537 -15.025 -13.175 1.00 13.54 H new ATOM 0 HG21 ILE A 12 -17.838 -18.651 -14.130 1.00 2.50 H new ATOM 0 HG22 ILE A 12 -17.794 -19.216 -12.443 1.00 2.50 H new ATOM 0 HG23 ILE A 12 -19.191 -18.285 -13.034 1.00 2.50 H new ATOM 0 HD11 ILE A 12 -17.458 -15.231 -15.611 1.00 54.24 H new ATOM 0 HD12 ILE A 12 -16.059 -16.045 -14.870 1.00 54.24 H new ATOM 0 HD13 ILE A 12 -17.430 -17.005 -15.473 1.00 54.24 H new ATOM 201 N TYR A 13 -18.400 -18.639 -9.840 1.00 1.51 N ATOM 202 CA TYR A 13 -18.158 -19.769 -8.952 1.00 35.30 C ATOM 203 C TYR A 13 -19.195 -20.867 -9.172 1.00 14.43 C ATOM 204 O TYR A 13 -20.342 -20.592 -9.527 1.00 44.04 O ATOM 205 CB TYR A 13 -18.185 -19.313 -7.492 1.00 61.13 C ATOM 206 CG TYR A 13 -19.464 -18.607 -7.101 1.00 63.13 C ATOM 207 CD1 TYR A 13 -19.674 -17.274 -7.433 1.00 62.24 C ATOM 208 CD2 TYR A 13 -20.461 -19.272 -6.400 1.00 4.15 C ATOM 209 CE1 TYR A 13 -20.841 -16.625 -7.078 1.00 30.53 C ATOM 210 CE2 TYR A 13 -21.631 -18.632 -6.041 1.00 74.04 C ATOM 211 CZ TYR A 13 -21.816 -17.309 -6.382 1.00 50.24 C ATOM 212 OH TYR A 13 -22.980 -16.666 -6.026 1.00 71.13 O ATOM 0 H TYR A 13 -19.384 -18.471 -10.050 1.00 1.51 H new ATOM 0 HA TYR A 13 -17.172 -20.173 -9.181 1.00 35.30 H new ATOM 0 HB2 TYR A 13 -18.047 -20.181 -6.847 1.00 61.13 H new ATOM 0 HB3 TYR A 13 -17.342 -18.645 -7.313 1.00 61.13 H new ATOM 0 HD1 TYR A 13 -18.912 -16.736 -7.978 1.00 62.24 H new ATOM 0 HD2 TYR A 13 -20.319 -20.308 -6.131 1.00 4.15 H new ATOM 0 HE1 TYR A 13 -20.989 -15.589 -7.344 1.00 30.53 H new ATOM 0 HE2 TYR A 13 -22.396 -19.165 -5.496 1.00 74.04 H new ATOM 0 HH TYR A 13 -23.185 -15.972 -6.686 1.00 71.13 H new ATOM 468 N TRP A 30 -23.675 -22.815 -13.045 1.00 42.41 N ATOM 469 CA TRP A 30 -22.650 -21.848 -12.665 1.00 34.31 C ATOM 470 C TRP A 30 -23.280 -20.580 -12.100 1.00 61.13 C ATOM 471 O TRP A 30 -24.403 -20.220 -12.457 1.00 70.51 O ATOM 472 CB TRP A 30 -21.772 -21.504 -13.868 1.00 51.15 C ATOM 473 CG TRP A 30 -20.838 -22.609 -14.259 1.00 34.11 C ATOM 474 CD1 TRP A 30 -21.134 -23.697 -15.029 1.00 65.32 C ATOM 475 CD2 TRP A 30 -19.459 -22.735 -13.896 1.00 51.32 C ATOM 476 NE1 TRP A 30 -20.021 -24.492 -15.167 1.00 63.22 N ATOM 477 CE2 TRP A 30 -18.981 -23.923 -14.481 1.00 43.01 C ATOM 478 CE3 TRP A 30 -18.582 -21.958 -13.135 1.00 11.24 C ATOM 479 CZ2 TRP A 30 -17.664 -24.351 -14.328 1.00 14.41 C ATOM 480 CZ3 TRP A 30 -17.277 -22.385 -12.982 1.00 4.14 C ATOM 481 CH2 TRP A 30 -16.827 -23.572 -13.577 1.00 13.52 C ATOM 0 HA TRP A 30 -22.030 -22.299 -11.890 1.00 34.31 H new ATOM 0 HB2 TRP A 30 -22.411 -21.261 -14.717 1.00 51.15 H new ATOM 0 HB3 TRP A 30 -21.191 -20.610 -13.640 1.00 51.15 H new ATOM 0 HD1 TRP A 30 -22.100 -23.903 -15.465 1.00 65.32 H new ATOM 0 HE1 TRP A 30 -19.977 -25.364 -15.695 1.00 63.22 H new ATOM 0 HE3 TRP A 30 -18.918 -21.041 -12.675 1.00 11.24 H new ATOM 0 HZ2 TRP A 30 -17.316 -25.265 -14.786 1.00 14.41 H new ATOM 0 HZ3 TRP A 30 -16.591 -21.794 -12.393 1.00 4.14 H new ATOM 0 HH2 TRP A 30 -15.800 -23.877 -13.440 1.00 13.52 H new ATOM 492 N LYS A 31 -22.552 -19.905 -11.217 1.00 53.44 N ATOM 493 CA LYS A 31 -23.039 -18.675 -10.603 1.00 73.33 C ATOM 494 C LYS A 31 -22.141 -17.496 -10.961 1.00 43.05 C ATOM 495 O LYS A 31 -20.920 -17.638 -11.054 1.00 55.03 O ATOM 496 CB LYS A 31 -23.112 -18.833 -9.083 1.00 61.42 C ATOM 497 CG LYS A 31 -24.228 -18.028 -8.440 1.00 44.35 C ATOM 498 CD LYS A 31 -25.595 -18.519 -8.881 1.00 32.00 C ATOM 499 CE LYS A 31 -26.264 -19.353 -7.798 1.00 12.42 C ATOM 500 NZ LYS A 31 -25.919 -20.796 -7.916 1.00 2.22 N ATOM 0 H LYS A 31 -21.622 -20.189 -10.910 1.00 53.44 H new ATOM 0 HA LYS A 31 -24.039 -18.477 -10.989 1.00 73.33 H new ATOM 0 HB2 LYS A 31 -23.251 -19.887 -8.842 1.00 61.42 H new ATOM 0 HB3 LYS A 31 -22.160 -18.529 -8.649 1.00 61.42 H new ATOM 0 HG2 LYS A 31 -24.149 -18.096 -7.355 1.00 44.35 H new ATOM 0 HG3 LYS A 31 -24.116 -16.976 -8.702 1.00 44.35 H new ATOM 0 HD2 LYS A 31 -26.227 -17.666 -9.127 1.00 32.00 H new ATOM 0 HD3 LYS A 31 -25.494 -19.113 -9.789 1.00 32.00 H new ATOM 0 HE2 LYS A 31 -25.960 -18.986 -6.818 1.00 12.42 H new ATOM 0 HE3 LYS A 31 -27.345 -19.232 -7.863 1.00 12.42 H new ATOM 0 HZ1 LYS A 31 -26.394 -21.330 -7.160 1.00 2.22 H new ATOM 0 HZ2 LYS A 31 -26.232 -21.153 -8.841 1.00 2.22 H new ATOM 0 HZ3 LYS A 31 -24.890 -20.915 -7.829 1.00 2.22 H new ATOM 514 N LEU A 32 -22.749 -16.332 -11.159 1.00 74.03 N ATOM 515 CA LEU A 32 -22.004 -15.127 -11.504 1.00 53.05 C ATOM 516 C LEU A 32 -22.386 -13.969 -10.589 1.00 1.03 C ATOM 517 O LEU A 32 -23.567 -13.698 -10.375 1.00 2.24 O ATOM 518 CB LEU A 32 -22.262 -14.745 -12.963 1.00 40.01 C ATOM 519 CG LEU A 32 -21.507 -13.519 -13.479 1.00 12.02 C ATOM 520 CD1 LEU A 32 -22.226 -12.241 -13.076 1.00 54.24 C ATOM 521 CD2 LEU A 32 -20.077 -13.514 -12.959 1.00 62.41 C ATOM 0 H LEU A 32 -23.757 -16.197 -11.086 1.00 74.03 H new ATOM 0 HA LEU A 32 -20.942 -15.336 -11.371 1.00 53.05 H new ATOM 0 HB2 LEU A 32 -22.004 -15.597 -13.592 1.00 40.01 H new ATOM 0 HB3 LEU A 32 -23.330 -14.568 -13.088 1.00 40.01 H new ATOM 0 HG LEU A 32 -21.476 -13.568 -14.567 1.00 12.02 H new ATOM 0 HD11 LEU A 32 -21.674 -11.379 -13.452 1.00 54.24 H new ATOM 0 HD12 LEU A 32 -23.231 -12.241 -13.498 1.00 54.24 H new ATOM 0 HD13 LEU A 32 -22.289 -12.186 -11.989 1.00 54.24 H new ATOM 0 HD21 LEU A 32 -19.556 -12.634 -13.337 1.00 62.41 H new ATOM 0 HD22 LEU A 32 -20.086 -13.490 -11.869 1.00 62.41 H new ATOM 0 HD23 LEU A 32 -19.563 -14.414 -13.298 1.00 62.41 H new ATOM 533 N GLU A 33 -21.377 -13.289 -10.051 1.00 51.13 N ATOM 534 CA GLU A 33 -21.609 -12.159 -9.159 1.00 0.20 C ATOM 535 C GLU A 33 -20.642 -11.019 -9.464 1.00 5.33 C ATOM 536 O GLU A 33 -19.462 -11.080 -9.113 1.00 60.02 O ATOM 537 CB GLU A 33 -21.459 -12.594 -7.700 1.00 10.20 C ATOM 538 CG GLU A 33 -21.461 -11.435 -6.717 1.00 22.03 C ATOM 539 CD GLU A 33 -22.772 -10.674 -6.714 1.00 62.50 C ATOM 540 OE1 GLU A 33 -23.144 -10.128 -7.773 1.00 60.32 O ATOM 541 OE2 GLU A 33 -23.426 -10.624 -5.652 1.00 35.51 O ATOM 0 H GLU A 33 -20.393 -13.501 -10.217 1.00 51.13 H new ATOM 0 HA GLU A 33 -22.626 -11.803 -9.321 1.00 0.20 H new ATOM 0 HB2 GLU A 33 -22.271 -13.275 -7.447 1.00 10.20 H new ATOM 0 HB3 GLU A 33 -20.529 -13.152 -7.590 1.00 10.20 H new ATOM 0 HG2 GLU A 33 -21.263 -11.814 -5.714 1.00 22.03 H new ATOM 0 HG3 GLU A 33 -20.649 -10.751 -6.966 1.00 22.03 H new ATOM 548 N PHE A 34 -21.149 -9.979 -10.118 1.00 4.52 N ATOM 549 CA PHE A 34 -20.330 -8.825 -10.472 1.00 10.31 C ATOM 550 C PHE A 34 -20.247 -7.840 -9.309 1.00 12.44 C ATOM 551 O PHE A 34 -21.229 -7.618 -8.600 1.00 5.32 O ATOM 552 CB PHE A 34 -20.902 -8.126 -11.707 1.00 25.33 C ATOM 553 CG PHE A 34 -22.302 -7.619 -11.515 1.00 0.43 C ATOM 554 CD1 PHE A 34 -22.532 -6.397 -10.902 1.00 24.42 C ATOM 555 CD2 PHE A 34 -23.388 -8.363 -11.946 1.00 11.13 C ATOM 556 CE1 PHE A 34 -23.819 -5.929 -10.723 1.00 54.01 C ATOM 557 CE2 PHE A 34 -24.678 -7.899 -11.769 1.00 31.31 C ATOM 558 CZ PHE A 34 -24.895 -6.680 -11.158 1.00 65.34 C ATOM 0 H PHE A 34 -22.123 -9.912 -10.414 1.00 4.52 H new ATOM 0 HA PHE A 34 -19.324 -9.180 -10.697 1.00 10.31 H new ATOM 0 HB2 PHE A 34 -20.255 -7.290 -11.974 1.00 25.33 H new ATOM 0 HB3 PHE A 34 -20.888 -8.821 -12.547 1.00 25.33 H new ATOM 0 HD1 PHE A 34 -21.696 -5.805 -10.561 1.00 24.42 H new ATOM 0 HD2 PHE A 34 -23.225 -9.317 -12.426 1.00 11.13 H new ATOM 0 HE1 PHE A 34 -23.985 -4.976 -10.243 1.00 54.01 H new ATOM 0 HE2 PHE A 34 -25.516 -8.490 -12.109 1.00 31.31 H new ATOM 0 HZ PHE A 34 -25.902 -6.314 -11.020 1.00 65.34 H new ATOM 568 N GLU A 35 -19.069 -7.253 -9.120 1.00 61.04 N ATOM 569 CA GLU A 35 -18.858 -6.293 -8.044 1.00 31.23 C ATOM 570 C GLU A 35 -18.791 -4.869 -8.589 1.00 33.12 C ATOM 571 O GLU A 35 -17.756 -4.410 -9.070 1.00 4.54 O ATOM 572 CB GLU A 35 -17.572 -6.621 -7.283 1.00 51.21 C ATOM 573 CG GLU A 35 -17.569 -8.007 -6.659 1.00 51.34 C ATOM 574 CD GLU A 35 -18.430 -8.087 -5.413 1.00 23.10 C ATOM 575 OE1 GLU A 35 -19.301 -7.210 -5.235 1.00 20.53 O ATOM 576 OE2 GLU A 35 -18.230 -9.027 -4.615 1.00 64.01 O ATOM 0 H GLU A 35 -18.247 -7.426 -9.698 1.00 61.04 H new ATOM 0 HA GLU A 35 -19.704 -6.362 -7.360 1.00 31.23 H new ATOM 0 HB2 GLU A 35 -16.725 -6.537 -7.964 1.00 51.21 H new ATOM 0 HB3 GLU A 35 -17.425 -5.879 -6.499 1.00 51.21 H new ATOM 0 HG2 GLU A 35 -17.927 -8.732 -7.391 1.00 51.34 H new ATOM 0 HG3 GLU A 35 -16.546 -8.286 -6.408 1.00 51.34 H new ATOM 946 N LEU A 60 -26.457 -13.026 -10.320 1.00 24.00 N ATOM 947 CA LEU A 60 -27.219 -13.845 -11.257 1.00 24.13 C ATOM 948 C LEU A 60 -26.544 -15.196 -11.472 1.00 2.02 C ATOM 949 O LEU A 60 -25.402 -15.403 -11.061 1.00 30.22 O ATOM 950 CB LEU A 60 -27.370 -13.119 -12.595 1.00 2.42 C ATOM 951 CG LEU A 60 -26.085 -12.921 -13.399 1.00 62.33 C ATOM 952 CD1 LEU A 60 -26.369 -13.025 -14.891 1.00 1.51 C ATOM 953 CD2 LEU A 60 -25.448 -11.579 -13.068 1.00 33.44 C ATOM 0 HA LEU A 60 -28.207 -14.016 -10.831 1.00 24.13 H new ATOM 0 HB2 LEU A 60 -28.078 -13.675 -13.210 1.00 2.42 H new ATOM 0 HB3 LEU A 60 -27.812 -12.140 -12.407 1.00 2.42 H new ATOM 0 HG LEU A 60 -25.383 -13.709 -13.126 1.00 62.33 H new ATOM 0 HD11 LEU A 60 -25.443 -12.882 -15.448 1.00 1.51 H new ATOM 0 HD12 LEU A 60 -26.779 -14.010 -15.116 1.00 1.51 H new ATOM 0 HD13 LEU A 60 -27.088 -12.258 -15.179 1.00 1.51 H new ATOM 0 HD21 LEU A 60 -24.535 -11.456 -13.650 1.00 33.44 H new ATOM 0 HD22 LEU A 60 -26.144 -10.776 -13.311 1.00 33.44 H new ATOM 0 HD23 LEU A 60 -25.209 -11.542 -12.005 1.00 33.44 H new ATOM 965 N SER A 61 -27.257 -16.112 -12.120 1.00 53.23 N ATOM 966 CA SER A 61 -26.728 -17.444 -12.389 1.00 14.22 C ATOM 967 C SER A 61 -26.599 -17.684 -13.890 1.00 0.41 C ATOM 968 O SER A 61 -27.120 -16.918 -14.700 1.00 53.24 O ATOM 969 CB SER A 61 -27.632 -18.509 -11.767 1.00 33.41 C ATOM 970 OG SER A 61 -28.967 -18.381 -12.228 1.00 5.51 O ATOM 0 H SER A 61 -28.203 -15.956 -12.468 1.00 53.23 H new ATOM 0 HA SER A 61 -25.737 -17.512 -11.941 1.00 14.22 H new ATOM 0 HB2 SER A 61 -27.253 -19.501 -12.013 1.00 33.41 H new ATOM 0 HB3 SER A 61 -27.609 -18.420 -10.681 1.00 33.41 H new ATOM 0 HG SER A 61 -29.523 -19.075 -11.816 1.00 5.51 H new ATOM 976 N PHE A 62 -25.899 -18.754 -14.253 1.00 55.14 N ATOM 977 CA PHE A 62 -25.699 -19.096 -15.657 1.00 11.32 C ATOM 978 C PHE A 62 -25.707 -20.609 -15.854 1.00 11.42 C ATOM 979 O PHE A 62 -25.010 -21.343 -15.152 1.00 42.32 O ATOM 980 CB PHE A 62 -24.379 -18.512 -16.163 1.00 1.40 C ATOM 981 CG PHE A 62 -24.470 -17.059 -16.533 1.00 42.43 C ATOM 982 CD1 PHE A 62 -25.152 -16.662 -17.672 1.00 75.21 C ATOM 983 CD2 PHE A 62 -23.871 -16.090 -15.744 1.00 52.42 C ATOM 984 CE1 PHE A 62 -25.238 -15.325 -18.016 1.00 31.54 C ATOM 985 CE2 PHE A 62 -23.954 -14.752 -16.083 1.00 12.34 C ATOM 986 CZ PHE A 62 -24.638 -14.370 -17.221 1.00 0.23 C ATOM 0 H PHE A 62 -25.461 -19.399 -13.595 1.00 55.14 H new ATOM 0 HA PHE A 62 -26.521 -18.668 -16.230 1.00 11.32 H new ATOM 0 HB2 PHE A 62 -23.617 -18.636 -15.393 1.00 1.40 H new ATOM 0 HB3 PHE A 62 -24.049 -19.080 -17.033 1.00 1.40 H new ATOM 0 HD1 PHE A 62 -25.622 -17.405 -18.299 1.00 75.21 H new ATOM 0 HD2 PHE A 62 -23.333 -16.383 -14.854 1.00 52.42 H new ATOM 0 HE1 PHE A 62 -25.774 -15.029 -18.906 1.00 31.54 H new ATOM 0 HE2 PHE A 62 -23.485 -14.006 -15.459 1.00 12.34 H new ATOM 0 HZ PHE A 62 -24.703 -13.326 -17.488 1.00 0.23 H new ATOM 996 N THR A 63 -26.501 -21.071 -16.814 1.00 54.12 N ATOM 997 CA THR A 63 -26.603 -22.496 -17.104 1.00 55.41 C ATOM 998 C THR A 63 -25.235 -23.092 -17.415 1.00 0.34 C ATOM 999 O THR A 63 -24.881 -24.157 -16.909 1.00 32.32 O ATOM 1000 CB THR A 63 -27.548 -22.761 -18.291 1.00 22.31 C ATOM 1001 OG1 THR A 63 -28.697 -21.913 -18.201 1.00 74.25 O ATOM 1002 CG2 THR A 63 -27.986 -24.218 -18.317 1.00 70.35 C ATOM 0 H THR A 63 -27.084 -20.478 -17.405 1.00 54.12 H new ATOM 0 HA THR A 63 -27.010 -22.972 -16.212 1.00 55.41 H new ATOM 0 HB THR A 63 -27.009 -22.543 -19.213 1.00 22.31 H new ATOM 0 HG1 THR A 63 -29.292 -22.086 -18.960 1.00 74.25 H new ATOM 0 HG21 THR A 63 -28.653 -24.382 -19.163 1.00 70.35 H new ATOM 0 HG22 THR A 63 -27.110 -24.860 -18.415 1.00 70.35 H new ATOM 0 HG23 THR A 63 -28.509 -24.457 -17.391 1.00 70.35 H new ATOM 1010 N THR A 64 -24.467 -22.397 -18.248 1.00 4.21 N ATOM 1011 CA THR A 64 -23.137 -22.858 -18.626 1.00 71.52 C ATOM 1012 C THR A 64 -22.100 -21.756 -18.446 1.00 20.00 C ATOM 1013 O THR A 64 -22.397 -20.576 -18.629 1.00 72.13 O ATOM 1014 CB THR A 64 -23.105 -23.344 -20.088 1.00 55.25 C ATOM 1015 OG1 THR A 64 -24.059 -22.614 -20.867 1.00 75.25 O ATOM 1016 CG2 THR A 64 -23.407 -24.832 -20.171 1.00 41.14 C ATOM 0 H THR A 64 -24.743 -21.512 -18.674 1.00 4.21 H new ATOM 0 HA THR A 64 -22.894 -23.692 -17.968 1.00 71.52 H new ATOM 0 HB THR A 64 -22.104 -23.171 -20.484 1.00 55.25 H new ATOM 0 HG1 THR A 64 -24.032 -22.927 -21.795 1.00 75.25 H new ATOM 0 HG21 THR A 64 -23.379 -25.151 -21.213 1.00 41.14 H new ATOM 0 HG22 THR A 64 -22.662 -25.387 -19.601 1.00 41.14 H new ATOM 0 HG23 THR A 64 -24.397 -25.026 -19.759 1.00 41.14 H new ATOM 1024 N ARG A 65 -20.883 -22.149 -18.085 1.00 52.20 N ATOM 1025 CA ARG A 65 -19.802 -21.192 -17.879 1.00 41.20 C ATOM 1026 C ARG A 65 -19.637 -20.287 -19.097 1.00 13.12 C ATOM 1027 O ARG A 65 -19.421 -19.083 -18.961 1.00 42.14 O ATOM 1028 CB ARG A 65 -18.490 -21.926 -17.596 1.00 42.10 C ATOM 1029 CG ARG A 65 -18.118 -22.942 -18.663 1.00 32.55 C ATOM 1030 CD ARG A 65 -17.029 -22.412 -19.583 1.00 1.45 C ATOM 1031 NE ARG A 65 -16.251 -23.489 -20.188 1.00 73.21 N ATOM 1032 CZ ARG A 65 -15.320 -24.178 -19.538 1.00 62.40 C ATOM 1033 NH1 ARG A 65 -15.053 -23.905 -18.268 1.00 41.21 N ATOM 1034 NH2 ARG A 65 -14.654 -25.145 -20.158 1.00 52.41 N ATOM 0 H ARG A 65 -20.621 -23.122 -17.929 1.00 52.20 H new ATOM 0 HA ARG A 65 -20.058 -20.573 -17.019 1.00 41.20 H new ATOM 0 HB2 ARG A 65 -17.687 -21.195 -17.507 1.00 42.10 H new ATOM 0 HB3 ARG A 65 -18.568 -22.433 -16.634 1.00 42.10 H new ATOM 0 HG2 ARG A 65 -17.778 -23.862 -18.188 1.00 32.55 H new ATOM 0 HG3 ARG A 65 -19.001 -23.194 -19.250 1.00 32.55 H new ATOM 0 HD2 ARG A 65 -17.481 -21.806 -20.368 1.00 1.45 H new ATOM 0 HD3 ARG A 65 -16.364 -21.758 -19.019 1.00 1.45 H new ATOM 0 HE ARG A 65 -16.432 -23.725 -21.164 1.00 73.21 H new ATOM 0 HH11 ARG A 65 -15.563 -23.164 -17.787 1.00 41.21 H new ATOM 0 HH12 ARG A 65 -14.337 -24.436 -17.772 1.00 41.21 H new ATOM 0 HH21 ARG A 65 -14.857 -25.359 -21.134 1.00 52.41 H new ATOM 0 HH22 ARG A 65 -13.939 -25.674 -19.658 1.00 52.41 H new ATOM 1048 N GLU A 66 -19.742 -20.875 -20.284 1.00 30.31 N ATOM 1049 CA GLU A 66 -19.603 -20.121 -21.525 1.00 21.22 C ATOM 1050 C GLU A 66 -20.537 -18.914 -21.535 1.00 34.00 C ATOM 1051 O GLU A 66 -20.228 -17.881 -22.129 1.00 43.34 O ATOM 1052 CB GLU A 66 -19.898 -21.018 -22.728 1.00 33.41 C ATOM 1053 CG GLU A 66 -18.791 -22.013 -23.032 1.00 30.05 C ATOM 1054 CD GLU A 66 -17.657 -21.399 -23.830 1.00 0.42 C ATOM 1055 OE1 GLU A 66 -16.807 -20.715 -23.222 1.00 45.00 O ATOM 1056 OE2 GLU A 66 -17.620 -21.603 -25.060 1.00 60.14 O ATOM 0 H GLU A 66 -19.923 -21.871 -20.413 1.00 30.31 H new ATOM 0 HA GLU A 66 -18.575 -19.764 -21.591 1.00 21.22 H new ATOM 0 HB2 GLU A 66 -20.824 -21.563 -22.546 1.00 33.41 H new ATOM 0 HB3 GLU A 66 -20.063 -20.392 -23.605 1.00 33.41 H new ATOM 0 HG2 GLU A 66 -18.398 -22.411 -22.096 1.00 30.05 H new ATOM 0 HG3 GLU A 66 -19.206 -22.855 -23.586 1.00 30.05 H new ATOM 1063 N LEU A 67 -21.681 -19.053 -20.873 1.00 70.34 N ATOM 1064 CA LEU A 67 -22.662 -17.975 -20.806 1.00 61.15 C ATOM 1065 C LEU A 67 -22.210 -16.889 -19.835 1.00 13.31 C ATOM 1066 O LEU A 67 -22.401 -15.700 -20.087 1.00 64.13 O ATOM 1067 CB LEU A 67 -24.024 -18.525 -20.378 1.00 51.42 C ATOM 1068 CG LEU A 67 -25.244 -17.878 -21.035 1.00 1.12 C ATOM 1069 CD1 LEU A 67 -25.184 -18.038 -22.546 1.00 55.35 C ATOM 1070 CD2 LEU A 67 -26.528 -18.481 -20.483 1.00 74.52 C ATOM 0 H LEU A 67 -21.952 -19.901 -20.375 1.00 70.34 H new ATOM 0 HA LEU A 67 -22.751 -17.534 -21.799 1.00 61.15 H new ATOM 0 HB2 LEU A 67 -24.045 -19.594 -20.591 1.00 51.42 H new ATOM 0 HB3 LEU A 67 -24.116 -18.413 -19.298 1.00 51.42 H new ATOM 0 HG LEU A 67 -25.237 -16.813 -20.803 1.00 1.12 H new ATOM 0 HD11 LEU A 67 -26.060 -17.572 -22.996 1.00 55.35 H new ATOM 0 HD12 LEU A 67 -24.282 -17.559 -22.927 1.00 55.35 H new ATOM 0 HD13 LEU A 67 -25.167 -19.098 -22.799 1.00 55.35 H new ATOM 0 HD21 LEU A 67 -27.386 -18.009 -20.961 1.00 74.52 H new ATOM 0 HD22 LEU A 67 -26.543 -19.552 -20.685 1.00 74.52 H new ATOM 0 HD23 LEU A 67 -26.575 -18.314 -19.407 1.00 74.52 H new ATOM 1082 N ALA A 68 -21.610 -17.307 -18.725 1.00 33.22 N ATOM 1083 CA ALA A 68 -21.128 -16.370 -17.718 1.00 54.44 C ATOM 1084 C ALA A 68 -19.976 -15.529 -18.258 1.00 13.44 C ATOM 1085 O ALA A 68 -20.093 -14.311 -18.389 1.00 51.14 O ATOM 1086 CB ALA A 68 -20.698 -17.117 -16.465 1.00 13.55 C ATOM 0 H ALA A 68 -21.446 -18.288 -18.501 1.00 33.22 H new ATOM 0 HA ALA A 68 -21.946 -15.696 -17.462 1.00 54.44 H new ATOM 0 HB1 ALA A 68 -20.340 -16.405 -15.722 1.00 13.55 H new ATOM 0 HB2 ALA A 68 -21.547 -17.668 -16.061 1.00 13.55 H new ATOM 0 HB3 ALA A 68 -19.898 -17.814 -16.714 1.00 13.55 H new ATOM 1092 N ILE A 69 -18.864 -16.187 -18.567 1.00 2.15 N ATOM 1093 CA ILE A 69 -17.691 -15.500 -19.092 1.00 25.12 C ATOM 1094 C ILE A 69 -18.053 -14.636 -20.295 1.00 22.15 C ATOM 1095 O ILE A 69 -17.482 -13.565 -20.497 1.00 11.53 O ATOM 1096 CB ILE A 69 -16.591 -16.497 -19.502 1.00 43.11 C ATOM 1097 CG1 ILE A 69 -16.133 -17.312 -18.291 1.00 31.33 C ATOM 1098 CG2 ILE A 69 -15.416 -15.761 -20.128 1.00 4.41 C ATOM 1099 CD1 ILE A 69 -16.620 -18.744 -18.308 1.00 22.54 C ATOM 0 H ILE A 69 -18.751 -17.195 -18.463 1.00 2.15 H new ATOM 0 HA ILE A 69 -17.313 -14.864 -18.292 1.00 25.12 H new ATOM 0 HB ILE A 69 -17.001 -17.183 -20.243 1.00 43.11 H new ATOM 0 HG12 ILE A 69 -15.044 -17.308 -18.251 1.00 31.33 H new ATOM 0 HG13 ILE A 69 -16.487 -16.827 -17.382 1.00 31.33 H new ATOM 0 HG21 ILE A 69 -14.647 -16.479 -20.413 1.00 4.41 H new ATOM 0 HG22 ILE A 69 -15.754 -15.222 -21.013 1.00 4.41 H new ATOM 0 HG23 ILE A 69 -15.004 -15.054 -19.408 1.00 4.41 H new ATOM 0 HD11 ILE A 69 -16.258 -19.262 -17.420 1.00 22.54 H new ATOM 0 HD12 ILE A 69 -17.710 -18.758 -18.317 1.00 22.54 H new ATOM 0 HD13 ILE A 69 -16.244 -19.246 -19.200 1.00 22.54 H new ATOM 1111 N ALA A 70 -19.007 -15.109 -21.091 1.00 4.43 N ATOM 1112 CA ALA A 70 -19.448 -14.378 -22.272 1.00 72.12 C ATOM 1113 C ALA A 70 -19.893 -12.965 -21.908 1.00 44.35 C ATOM 1114 O ALA A 70 -19.844 -12.056 -22.738 1.00 41.15 O ATOM 1115 CB ALA A 70 -20.577 -15.127 -22.965 1.00 42.50 C ATOM 0 H ALA A 70 -19.489 -15.995 -20.939 1.00 4.43 H new ATOM 0 HA ALA A 70 -18.604 -14.300 -22.957 1.00 72.12 H new ATOM 0 HB1 ALA A 70 -20.897 -14.570 -23.845 1.00 42.50 H new ATOM 0 HB2 ALA A 70 -20.227 -16.114 -23.268 1.00 42.50 H new ATOM 0 HB3 ALA A 70 -21.417 -15.235 -22.279 1.00 42.50 H new ATOM 1121 N TYR A 71 -20.326 -12.787 -20.665 1.00 44.32 N ATOM 1122 CA TYR A 71 -20.781 -11.485 -20.193 1.00 62.44 C ATOM 1123 C TYR A 71 -19.598 -10.576 -19.875 1.00 1.31 C ATOM 1124 O TYR A 71 -19.502 -9.461 -20.387 1.00 22.00 O ATOM 1125 CB TYR A 71 -21.663 -11.649 -18.954 1.00 2.51 C ATOM 1126 CG TYR A 71 -22.136 -10.336 -18.371 1.00 0.23 C ATOM 1127 CD1 TYR A 71 -22.836 -9.420 -19.147 1.00 21.23 C ATOM 1128 CD2 TYR A 71 -21.886 -10.013 -17.043 1.00 64.25 C ATOM 1129 CE1 TYR A 71 -23.270 -8.220 -18.619 1.00 31.34 C ATOM 1130 CE2 TYR A 71 -22.317 -8.815 -16.506 1.00 31.24 C ATOM 1131 CZ TYR A 71 -23.008 -7.922 -17.298 1.00 22.32 C ATOM 1132 OH TYR A 71 -23.440 -6.728 -16.766 1.00 61.54 O ATOM 0 H TYR A 71 -20.371 -13.528 -19.966 1.00 44.32 H new ATOM 0 HA TYR A 71 -21.366 -11.022 -20.988 1.00 62.44 H new ATOM 0 HB2 TYR A 71 -22.531 -12.256 -19.213 1.00 2.51 H new ATOM 0 HB3 TYR A 71 -21.108 -12.196 -18.192 1.00 2.51 H new ATOM 0 HD1 TYR A 71 -23.044 -9.651 -20.181 1.00 21.23 H new ATOM 0 HD2 TYR A 71 -21.346 -10.710 -16.420 1.00 64.25 H new ATOM 0 HE1 TYR A 71 -23.811 -7.519 -19.237 1.00 31.34 H new ATOM 0 HE2 TYR A 71 -22.114 -8.579 -15.472 1.00 31.24 H new ATOM 0 HH TYR A 71 -23.175 -6.675 -15.824 1.00 61.54 H new ATOM 1142 N ALA A 72 -18.700 -11.062 -19.025 1.00 31.32 N ATOM 1143 CA ALA A 72 -17.521 -10.296 -18.639 1.00 11.13 C ATOM 1144 C ALA A 72 -16.677 -9.935 -19.856 1.00 33.44 C ATOM 1145 O ALA A 72 -16.369 -8.765 -20.085 1.00 61.31 O ATOM 1146 CB ALA A 72 -16.690 -11.079 -17.631 1.00 54.55 C ATOM 0 H ALA A 72 -18.766 -11.982 -18.590 1.00 31.32 H new ATOM 0 HA ALA A 72 -17.857 -9.368 -18.175 1.00 11.13 H new ATOM 0 HB1 ALA A 72 -15.813 -10.496 -17.351 1.00 54.55 H new ATOM 0 HB2 ALA A 72 -17.290 -11.281 -16.743 1.00 54.55 H new ATOM 0 HB3 ALA A 72 -16.372 -12.022 -18.076 1.00 54.55 H new ATOM 1152 N VAL A 73 -16.307 -10.947 -20.635 1.00 21.25 N ATOM 1153 CA VAL A 73 -15.499 -10.736 -21.830 1.00 43.40 C ATOM 1154 C VAL A 73 -16.120 -9.677 -22.733 1.00 42.50 C ATOM 1155 O VAL A 73 -15.414 -8.955 -23.437 1.00 72.32 O ATOM 1156 CB VAL A 73 -15.328 -12.040 -22.629 1.00 22.51 C ATOM 1157 CG1 VAL A 73 -14.510 -11.793 -23.888 1.00 3.54 C ATOM 1158 CG2 VAL A 73 -14.681 -13.114 -21.766 1.00 74.14 C ATOM 0 H VAL A 73 -16.554 -11.921 -20.460 1.00 21.25 H new ATOM 0 HA VAL A 73 -14.520 -10.394 -21.494 1.00 43.40 H new ATOM 0 HB VAL A 73 -16.315 -12.392 -22.929 1.00 22.51 H new ATOM 0 HG11 VAL A 73 -14.400 -12.727 -24.439 1.00 3.54 H new ATOM 0 HG12 VAL A 73 -15.018 -11.060 -24.514 1.00 3.54 H new ATOM 0 HG13 VAL A 73 -13.525 -11.415 -23.614 1.00 3.54 H new ATOM 0 HG21 VAL A 73 -14.568 -14.029 -22.348 1.00 74.14 H new ATOM 0 HG22 VAL A 73 -13.701 -12.772 -21.433 1.00 74.14 H new ATOM 0 HG23 VAL A 73 -15.310 -13.311 -20.898 1.00 74.14 H new ATOM 1168 N ALA A 74 -17.446 -9.589 -22.707 1.00 15.11 N ATOM 1169 CA ALA A 74 -18.163 -8.615 -23.522 1.00 34.41 C ATOM 1170 C ALA A 74 -17.684 -7.197 -23.232 1.00 71.21 C ATOM 1171 O ALA A 74 -17.792 -6.310 -24.078 1.00 42.43 O ATOM 1172 CB ALA A 74 -19.661 -8.729 -23.282 1.00 52.44 C ATOM 0 H ALA A 74 -18.045 -10.180 -22.131 1.00 15.11 H new ATOM 0 HA ALA A 74 -17.956 -8.832 -24.570 1.00 34.41 H new ATOM 0 HB1 ALA A 74 -20.185 -7.997 -23.896 1.00 52.44 H new ATOM 0 HB2 ALA A 74 -19.997 -9.732 -23.547 1.00 52.44 H new ATOM 0 HB3 ALA A 74 -19.876 -8.541 -22.230 1.00 52.44 H new ATOM 1178 N HIS A 75 -17.156 -6.990 -22.029 1.00 21.40 N ATOM 1179 CA HIS A 75 -16.660 -5.678 -21.627 1.00 61.53 C ATOM 1180 C HIS A 75 -15.223 -5.771 -21.127 1.00 1.51 C ATOM 1181 O HIS A 75 -14.767 -4.926 -20.355 1.00 25.13 O ATOM 1182 CB HIS A 75 -17.554 -5.083 -20.540 1.00 13.10 C ATOM 1183 CG HIS A 75 -18.897 -4.645 -21.041 1.00 21.14 C ATOM 1184 ND1 HIS A 75 -19.222 -3.324 -21.264 1.00 14.45 N ATOM 1185 CD2 HIS A 75 -19.998 -5.362 -21.365 1.00 32.24 C ATOM 1186 CE1 HIS A 75 -20.466 -3.246 -21.700 1.00 33.24 C ATOM 1187 NE2 HIS A 75 -20.959 -4.471 -21.771 1.00 53.53 N ATOM 0 H HIS A 75 -17.061 -7.713 -21.316 1.00 21.40 H new ATOM 0 HA HIS A 75 -16.680 -5.026 -22.500 1.00 61.53 H new ATOM 0 HB2 HIS A 75 -17.693 -5.822 -19.751 1.00 13.10 H new ATOM 0 HB3 HIS A 75 -17.047 -4.229 -20.091 1.00 13.10 H new ATOM 0 HD2 HIS A 75 -20.101 -6.436 -21.314 1.00 32.24 H new ATOM 0 HE1 HIS A 75 -20.991 -2.337 -21.955 1.00 33.24 H new ATOM 0 HE2 HIS A 75 -21.901 -4.714 -22.078 1.00 53.53 H new ATOM 1195 N LYS A 76 -14.512 -6.803 -21.569 1.00 51.33 N ATOM 1196 CA LYS A 76 -13.125 -7.007 -21.167 1.00 0.42 C ATOM 1197 C LYS A 76 -12.989 -6.969 -19.649 1.00 0.44 C ATOM 1198 O LYS A 76 -12.015 -6.434 -19.117 1.00 43.13 O ATOM 1199 CB LYS A 76 -12.228 -5.939 -21.798 1.00 5.23 C ATOM 1200 CG LYS A 76 -11.889 -6.212 -23.253 1.00 2.22 C ATOM 1201 CD LYS A 76 -13.091 -5.990 -24.156 1.00 21.34 C ATOM 1202 CE LYS A 76 -12.707 -6.074 -25.625 1.00 54.31 C ATOM 1203 NZ LYS A 76 -12.080 -7.382 -25.961 1.00 4.41 N ATOM 0 H LYS A 76 -14.874 -7.512 -22.207 1.00 51.33 H new ATOM 0 HA LYS A 76 -12.811 -7.990 -21.518 1.00 0.42 H new ATOM 0 HB2 LYS A 76 -12.723 -4.971 -21.725 1.00 5.23 H new ATOM 0 HB3 LYS A 76 -11.303 -5.868 -21.225 1.00 5.23 H new ATOM 0 HG2 LYS A 76 -11.073 -5.561 -23.566 1.00 2.22 H new ATOM 0 HG3 LYS A 76 -11.537 -7.238 -23.359 1.00 2.22 H new ATOM 0 HD2 LYS A 76 -13.856 -6.735 -23.935 1.00 21.34 H new ATOM 0 HD3 LYS A 76 -13.528 -5.013 -23.948 1.00 21.34 H new ATOM 0 HE2 LYS A 76 -13.594 -5.928 -26.241 1.00 54.31 H new ATOM 0 HE3 LYS A 76 -12.015 -5.267 -25.866 1.00 54.31 H new ATOM 0 HZ1 LYS A 76 -11.941 -7.446 -26.990 1.00 4.41 H new ATOM 0 HZ2 LYS A 76 -11.160 -7.459 -25.482 1.00 4.41 H new ATOM 0 HZ3 LYS A 76 -12.700 -8.155 -25.646 1.00 4.41 H new ATOM 1217 N ILE A 77 -13.968 -7.541 -18.956 1.00 41.33 N ATOM 1218 CA ILE A 77 -13.954 -7.574 -17.499 1.00 71.31 C ATOM 1219 C ILE A 77 -13.225 -8.811 -16.984 1.00 51.11 C ATOM 1220 O ILE A 77 -13.364 -9.902 -17.538 1.00 15.21 O ATOM 1221 CB ILE A 77 -15.382 -7.557 -16.923 1.00 15.42 C ATOM 1222 CG1 ILE A 77 -16.127 -6.303 -17.385 1.00 10.41 C ATOM 1223 CG2 ILE A 77 -15.340 -7.623 -15.403 1.00 35.50 C ATOM 1224 CD1 ILE A 77 -17.627 -6.394 -17.214 1.00 10.13 C ATOM 0 H ILE A 77 -14.781 -7.988 -19.380 1.00 41.33 H new ATOM 0 HA ILE A 77 -13.426 -6.680 -17.168 1.00 71.31 H new ATOM 0 HB ILE A 77 -15.917 -8.432 -17.292 1.00 15.42 H new ATOM 0 HG12 ILE A 77 -15.757 -5.444 -16.826 1.00 10.41 H new ATOM 0 HG13 ILE A 77 -15.900 -6.121 -18.435 1.00 10.41 H new ATOM 0 HG21 ILE A 77 -16.357 -7.610 -15.010 1.00 35.50 H new ATOM 0 HG22 ILE A 77 -14.842 -8.542 -15.092 1.00 35.50 H new ATOM 0 HG23 ILE A 77 -14.791 -6.764 -15.017 1.00 35.50 H new ATOM 0 HD11 ILE A 77 -18.090 -5.470 -17.562 1.00 10.13 H new ATOM 0 HD12 ILE A 77 -18.009 -7.233 -17.796 1.00 10.13 H new ATOM 0 HD13 ILE A 77 -17.865 -6.545 -16.161 1.00 10.13 H new ATOM 1236 N ASP A 78 -12.449 -8.634 -15.922 1.00 15.34 N ATOM 1237 CA ASP A 78 -11.700 -9.735 -15.330 1.00 11.15 C ATOM 1238 C ASP A 78 -12.635 -10.707 -14.616 1.00 73.42 C ATOM 1239 O ASP A 78 -13.132 -10.421 -13.527 1.00 4.45 O ATOM 1240 CB ASP A 78 -10.656 -9.201 -14.348 1.00 4.40 C ATOM 1241 CG ASP A 78 -9.902 -8.006 -14.898 1.00 2.44 C ATOM 1242 OD1 ASP A 78 -8.887 -8.215 -15.595 1.00 14.30 O ATOM 1243 OD2 ASP A 78 -10.327 -6.863 -14.631 1.00 2.40 O ATOM 0 H ASP A 78 -12.322 -7.737 -15.453 1.00 15.34 H new ATOM 0 HA ASP A 78 -11.193 -10.269 -16.134 1.00 11.15 H new ATOM 0 HB2 ASP A 78 -11.148 -8.920 -13.417 1.00 4.40 H new ATOM 0 HB3 ASP A 78 -9.948 -9.994 -14.108 1.00 4.40 H new ATOM 1248 N TYR A 79 -12.872 -11.856 -15.239 1.00 24.22 N ATOM 1249 CA TYR A 79 -13.750 -12.869 -14.667 1.00 11.14 C ATOM 1250 C TYR A 79 -12.942 -13.974 -13.993 1.00 31.12 C ATOM 1251 O TYR A 79 -11.975 -14.487 -14.559 1.00 14.24 O ATOM 1252 CB TYR A 79 -14.648 -13.468 -15.751 1.00 12.23 C ATOM 1253 CG TYR A 79 -13.882 -14.124 -16.876 1.00 71.20 C ATOM 1254 CD1 TYR A 79 -13.520 -15.464 -16.808 1.00 35.41 C ATOM 1255 CD2 TYR A 79 -13.520 -13.405 -18.009 1.00 22.42 C ATOM 1256 CE1 TYR A 79 -12.821 -16.069 -17.833 1.00 63.23 C ATOM 1257 CE2 TYR A 79 -12.821 -14.002 -19.040 1.00 22.41 C ATOM 1258 CZ TYR A 79 -12.474 -15.333 -18.948 1.00 62.32 C ATOM 1259 OH TYR A 79 -11.776 -15.931 -19.973 1.00 45.51 O ATOM 0 H TYR A 79 -12.468 -12.109 -16.141 1.00 24.22 H new ATOM 0 HA TYR A 79 -14.373 -12.388 -13.913 1.00 11.14 H new ATOM 0 HB2 TYR A 79 -15.311 -14.204 -15.296 1.00 12.23 H new ATOM 0 HB3 TYR A 79 -15.280 -12.681 -16.163 1.00 12.23 H new ATOM 0 HD1 TYR A 79 -13.791 -16.043 -15.937 1.00 35.41 H new ATOM 0 HD2 TYR A 79 -13.790 -12.362 -18.085 1.00 22.42 H new ATOM 0 HE1 TYR A 79 -12.547 -17.111 -17.763 1.00 63.23 H new ATOM 0 HE2 TYR A 79 -12.548 -13.429 -19.914 1.00 22.41 H new ATOM 0 HH TYR A 79 -11.612 -15.276 -20.683 1.00 45.51 H new ATOM 1269 N THR A 80 -13.345 -14.337 -12.779 1.00 24.35 N ATOM 1270 CA THR A 80 -12.659 -15.380 -12.026 1.00 63.32 C ATOM 1271 C THR A 80 -13.544 -16.611 -11.862 1.00 44.32 C ATOM 1272 O THR A 80 -14.669 -16.519 -11.371 1.00 2.44 O ATOM 1273 CB THR A 80 -12.232 -14.880 -10.634 1.00 44.25 C ATOM 1274 OG1 THR A 80 -11.643 -15.950 -9.888 1.00 24.11 O ATOM 1275 CG2 THR A 80 -13.422 -14.318 -9.872 1.00 33.34 C ATOM 0 H THR A 80 -14.143 -13.924 -12.296 1.00 24.35 H new ATOM 0 HA THR A 80 -11.769 -15.648 -12.596 1.00 63.32 H new ATOM 0 HB THR A 80 -11.499 -14.085 -10.768 1.00 44.25 H new ATOM 0 HG1 THR A 80 -11.373 -15.623 -9.005 1.00 24.11 H new ATOM 0 HG21 THR A 80 -13.095 -13.971 -8.892 1.00 33.34 H new ATOM 0 HG22 THR A 80 -13.849 -13.484 -10.428 1.00 33.34 H new ATOM 0 HG23 THR A 80 -14.176 -15.096 -9.749 1.00 33.34 H new ATOM 1283 N VAL A 81 -13.027 -17.765 -12.276 1.00 15.24 N ATOM 1284 CA VAL A 81 -13.770 -19.015 -12.172 1.00 5.34 C ATOM 1285 C VAL A 81 -13.354 -19.800 -10.933 1.00 22.22 C ATOM 1286 O VAL A 81 -12.178 -20.122 -10.755 1.00 30.32 O ATOM 1287 CB VAL A 81 -13.563 -19.896 -13.419 1.00 2.25 C ATOM 1288 CG1 VAL A 81 -14.213 -19.258 -14.636 1.00 72.24 C ATOM 1289 CG2 VAL A 81 -12.080 -20.136 -13.661 1.00 13.22 C ATOM 0 H VAL A 81 -12.098 -17.859 -12.686 1.00 15.24 H new ATOM 0 HA VAL A 81 -14.825 -18.751 -12.094 1.00 5.34 H new ATOM 0 HB VAL A 81 -14.040 -20.860 -13.245 1.00 2.25 H new ATOM 0 HG11 VAL A 81 -14.057 -19.894 -15.507 1.00 72.24 H new ATOM 0 HG12 VAL A 81 -15.282 -19.142 -14.459 1.00 72.24 H new ATOM 0 HG13 VAL A 81 -13.767 -18.280 -14.816 1.00 72.24 H new ATOM 0 HG21 VAL A 81 -11.952 -20.760 -14.545 1.00 13.22 H new ATOM 0 HG22 VAL A 81 -11.577 -19.181 -13.815 1.00 13.22 H new ATOM 0 HG23 VAL A 81 -11.647 -20.639 -12.796 1.00 13.22 H new ATOM 1299 N LEU A 82 -14.324 -20.107 -10.080 1.00 20.41 N ATOM 1300 CA LEU A 82 -14.060 -20.857 -8.857 1.00 1.30 C ATOM 1301 C LEU A 82 -14.637 -22.266 -8.946 1.00 4.34 C ATOM 1302 O LEU A 82 -15.852 -22.446 -9.011 1.00 14.12 O ATOM 1303 CB LEU A 82 -14.651 -20.126 -7.650 1.00 32.11 C ATOM 1304 CG LEU A 82 -14.514 -20.836 -6.302 1.00 63.14 C ATOM 1305 CD1 LEU A 82 -13.059 -20.866 -5.861 1.00 21.32 C ATOM 1306 CD2 LEU A 82 -15.379 -20.156 -5.250 1.00 43.15 C ATOM 0 H LEU A 82 -15.302 -19.848 -10.213 1.00 20.41 H new ATOM 0 HA LEU A 82 -12.980 -20.935 -8.734 1.00 1.30 H new ATOM 0 HB2 LEU A 82 -14.175 -19.149 -7.573 1.00 32.11 H new ATOM 0 HB3 LEU A 82 -15.710 -19.950 -7.840 1.00 32.11 H new ATOM 0 HG LEU A 82 -14.859 -21.864 -6.417 1.00 63.14 H new ATOM 0 HD11 LEU A 82 -12.980 -21.375 -4.900 1.00 21.32 H new ATOM 0 HD12 LEU A 82 -12.465 -21.399 -6.603 1.00 21.32 H new ATOM 0 HD13 LEU A 82 -12.687 -19.846 -5.763 1.00 21.32 H new ATOM 0 HD21 LEU A 82 -15.269 -20.675 -4.298 1.00 43.15 H new ATOM 0 HD22 LEU A 82 -15.065 -19.118 -5.136 1.00 43.15 H new ATOM 0 HD23 LEU A 82 -16.423 -20.187 -5.562 1.00 43.15 H new