USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 295 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 TYR OH : rot 180:sc= 0 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= -0.128 X(o=-0.13,f=-0.49) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 9 -15.241 -6.078 -11.446 1.00 64.50 N ATOM 125 CA ARG A 9 -14.746 -7.438 -11.623 1.00 24.33 C ATOM 126 C ARG A 9 -15.897 -8.440 -11.622 1.00 65.24 C ATOM 127 O ARG A 9 -16.925 -8.219 -10.984 1.00 50.20 O ATOM 128 CB ARG A 9 -13.750 -7.789 -10.516 1.00 23.13 C ATOM 129 CG ARG A 9 -12.577 -6.827 -10.424 1.00 44.14 C ATOM 130 CD ARG A 9 -11.779 -7.040 -9.147 1.00 72.33 C ATOM 131 NE ARG A 9 -10.870 -5.929 -8.878 1.00 32.54 N ATOM 132 CZ ARG A 9 -10.199 -5.789 -7.740 1.00 14.52 C ATOM 133 NH1 ARG A 9 -10.335 -6.684 -6.771 1.00 44.13 N ATOM 134 NH2 ARG A 9 -9.391 -4.750 -7.569 1.00 62.32 N ATOM 0 HA ARG A 9 -14.241 -7.491 -12.588 1.00 24.33 H new ATOM 0 HB2 ARG A 9 -14.273 -7.803 -9.560 1.00 23.13 H new ATOM 0 HB3 ARG A 9 -13.370 -8.796 -10.687 1.00 23.13 H new ATOM 0 HG2 ARG A 9 -11.926 -6.962 -11.288 1.00 44.14 H new ATOM 0 HG3 ARG A 9 -12.943 -5.801 -10.458 1.00 44.14 H new ATOM 0 HD2 ARG A 9 -12.464 -7.160 -8.307 1.00 72.33 H new ATOM 0 HD3 ARG A 9 -11.208 -7.965 -9.227 1.00 72.33 H new ATOM 0 HE ARG A 9 -10.744 -5.223 -9.603 1.00 32.54 H new ATOM 0 HH11 ARG A 9 -10.956 -7.483 -6.898 1.00 44.13 H new ATOM 0 HH12 ARG A 9 -9.818 -6.574 -5.899 1.00 44.13 H new ATOM 0 HH21 ARG A 9 -9.285 -4.059 -8.311 1.00 62.32 H new ATOM 0 HH22 ARG A 9 -8.876 -4.643 -6.695 1.00 62.32 H new ATOM 148 N ALA A 10 -15.715 -9.542 -12.343 1.00 32.11 N ATOM 149 CA ALA A 10 -16.737 -10.578 -12.425 1.00 32.24 C ATOM 150 C ALA A 10 -16.370 -11.781 -11.562 1.00 64.04 C ATOM 151 O ALA A 10 -15.227 -12.240 -11.575 1.00 52.21 O ATOM 152 CB ALA A 10 -16.941 -11.005 -13.871 1.00 32.54 C ATOM 0 H ALA A 10 -14.870 -9.740 -12.878 1.00 32.11 H new ATOM 0 HA ALA A 10 -17.671 -10.163 -12.045 1.00 32.24 H new ATOM 0 HB1 ALA A 10 -17.707 -11.779 -13.917 1.00 32.54 H new ATOM 0 HB2 ALA A 10 -17.257 -10.146 -14.463 1.00 32.54 H new ATOM 0 HB3 ALA A 10 -16.005 -11.396 -14.270 1.00 32.54 H new ATOM 158 N ARG A 11 -17.344 -12.287 -10.814 1.00 14.31 N ATOM 159 CA ARG A 11 -17.122 -13.435 -9.944 1.00 32.31 C ATOM 160 C ARG A 11 -17.886 -14.656 -10.449 1.00 51.20 C ATOM 161 O ARG A 11 -19.105 -14.742 -10.300 1.00 75.15 O ATOM 162 CB ARG A 11 -17.551 -13.108 -8.512 1.00 72.34 C ATOM 163 CG ARG A 11 -17.072 -14.122 -7.486 1.00 72.24 C ATOM 164 CD ARG A 11 -17.652 -13.838 -6.109 1.00 44.35 C ATOM 165 NE ARG A 11 -17.824 -15.058 -5.325 1.00 40.34 N ATOM 166 CZ ARG A 11 -18.737 -15.983 -5.598 1.00 22.43 C ATOM 167 NH1 ARG A 11 -19.555 -15.829 -6.629 1.00 72.03 N ATOM 168 NH2 ARG A 11 -18.832 -17.067 -4.837 1.00 51.24 N ATOM 0 H ARG A 11 -18.295 -11.920 -10.793 1.00 14.31 H new ATOM 0 HA ARG A 11 -16.057 -13.665 -9.953 1.00 32.31 H new ATOM 0 HB2 ARG A 11 -17.169 -12.123 -8.243 1.00 72.34 H new ATOM 0 HB3 ARG A 11 -18.639 -13.049 -8.472 1.00 72.34 H new ATOM 0 HG2 ARG A 11 -17.358 -15.125 -7.803 1.00 72.24 H new ATOM 0 HG3 ARG A 11 -15.983 -14.103 -7.435 1.00 72.24 H new ATOM 0 HD2 ARG A 11 -16.995 -13.153 -5.573 1.00 44.35 H new ATOM 0 HD3 ARG A 11 -18.614 -13.338 -6.217 1.00 44.35 H new ATOM 0 HE ARG A 11 -17.210 -15.208 -4.525 1.00 40.34 H new ATOM 0 HH11 ARG A 11 -19.485 -14.998 -7.216 1.00 72.03 H new ATOM 0 HH12 ARG A 11 -20.255 -16.542 -6.836 1.00 72.03 H new ATOM 0 HH21 ARG A 11 -18.204 -17.189 -4.043 1.00 51.24 H new ATOM 0 HH22 ARG A 11 -19.533 -17.777 -5.047 1.00 51.24 H new ATOM 182 N ILE A 12 -17.161 -15.596 -11.046 1.00 51.42 N ATOM 183 CA ILE A 12 -17.771 -16.811 -11.572 1.00 45.34 C ATOM 184 C ILE A 12 -17.474 -18.008 -10.675 1.00 44.54 C ATOM 185 O ILE A 12 -16.340 -18.201 -10.236 1.00 63.21 O ATOM 186 CB ILE A 12 -17.276 -17.117 -12.998 1.00 44.23 C ATOM 187 CG1 ILE A 12 -17.599 -15.951 -13.935 1.00 75.32 C ATOM 188 CG2 ILE A 12 -17.901 -18.405 -13.511 1.00 33.30 C ATOM 189 CD1 ILE A 12 -16.901 -16.040 -15.274 1.00 74.42 C ATOM 0 H ILE A 12 -16.151 -15.540 -11.177 1.00 51.42 H new ATOM 0 HA ILE A 12 -18.847 -16.638 -11.599 1.00 45.34 H new ATOM 0 HB ILE A 12 -16.194 -17.247 -12.971 1.00 44.23 H new ATOM 0 HG12 ILE A 12 -18.676 -15.914 -14.098 1.00 75.32 H new ATOM 0 HG13 ILE A 12 -17.318 -15.017 -13.449 1.00 75.32 H new ATOM 0 HG21 ILE A 12 -17.541 -18.607 -14.520 1.00 33.30 H new ATOM 0 HG22 ILE A 12 -17.624 -19.230 -12.855 1.00 33.30 H new ATOM 0 HG23 ILE A 12 -18.986 -18.302 -13.527 1.00 33.30 H new ATOM 0 HD11 ILE A 12 -17.177 -15.181 -15.886 1.00 74.42 H new ATOM 0 HD12 ILE A 12 -15.822 -16.046 -15.122 1.00 74.42 H new ATOM 0 HD13 ILE A 12 -17.201 -16.957 -15.781 1.00 74.42 H new ATOM 201 N TYR A 13 -18.499 -18.809 -10.409 1.00 0.43 N ATOM 202 CA TYR A 13 -18.348 -19.987 -9.563 1.00 75.15 C ATOM 203 C TYR A 13 -18.956 -21.217 -10.230 1.00 75.24 C ATOM 204 O TYR A 13 -20.068 -21.167 -10.758 1.00 63.12 O ATOM 205 CB TYR A 13 -19.008 -19.753 -8.203 1.00 43.43 C ATOM 206 CG TYR A 13 -19.072 -20.992 -7.340 1.00 33.11 C ATOM 207 CD1 TYR A 13 -17.914 -21.653 -6.951 1.00 2.04 C ATOM 208 CD2 TYR A 13 -20.292 -21.502 -6.912 1.00 53.14 C ATOM 209 CE1 TYR A 13 -17.968 -22.786 -6.163 1.00 34.24 C ATOM 210 CE2 TYR A 13 -20.356 -22.634 -6.123 1.00 13.31 C ATOM 211 CZ TYR A 13 -19.192 -23.273 -5.751 1.00 42.51 C ATOM 212 OH TYR A 13 -19.250 -24.400 -4.965 1.00 33.32 O ATOM 0 H TYR A 13 -19.443 -18.664 -10.767 1.00 0.43 H new ATOM 0 HA TYR A 13 -17.282 -20.163 -9.417 1.00 75.15 H new ATOM 0 HB2 TYR A 13 -18.458 -18.977 -7.670 1.00 43.43 H new ATOM 0 HB3 TYR A 13 -20.019 -19.377 -8.359 1.00 43.43 H new ATOM 0 HD1 TYR A 13 -16.954 -21.274 -7.270 1.00 2.04 H new ATOM 0 HD2 TYR A 13 -21.206 -21.005 -7.201 1.00 53.14 H new ATOM 0 HE1 TYR A 13 -17.058 -23.288 -5.871 1.00 34.24 H new ATOM 0 HE2 TYR A 13 -21.313 -23.017 -5.799 1.00 13.31 H new ATOM 0 HH TYR A 13 -20.186 -24.609 -4.762 1.00 33.32 H new ATOM 468 N TRP A 30 -23.922 -22.717 -13.027 1.00 34.51 N ATOM 469 CA TRP A 30 -22.864 -21.745 -12.780 1.00 12.43 C ATOM 470 C TRP A 30 -23.426 -20.481 -12.138 1.00 2.31 C ATOM 471 O TRP A 30 -24.590 -20.134 -12.339 1.00 60.53 O ATOM 472 CB TRP A 30 -22.150 -21.394 -14.086 1.00 52.01 C ATOM 473 CG TRP A 30 -21.213 -22.465 -14.557 1.00 10.23 C ATOM 474 CD1 TRP A 30 -21.547 -23.620 -15.204 1.00 33.12 C ATOM 475 CD2 TRP A 30 -19.788 -22.480 -14.415 1.00 14.21 C ATOM 476 NE1 TRP A 30 -20.416 -24.352 -15.473 1.00 32.43 N ATOM 477 CE2 TRP A 30 -19.324 -23.674 -15.000 1.00 31.33 C ATOM 478 CE3 TRP A 30 -18.860 -21.600 -13.853 1.00 3.22 C ATOM 479 CZ2 TRP A 30 -17.973 -24.009 -15.036 1.00 11.21 C ATOM 480 CZ3 TRP A 30 -17.519 -21.933 -13.889 1.00 72.53 C ATOM 481 CH2 TRP A 30 -17.086 -23.129 -14.478 1.00 41.10 C ATOM 0 HA TRP A 30 -22.147 -22.192 -12.092 1.00 12.43 H new ATOM 0 HB2 TRP A 30 -22.894 -21.207 -14.860 1.00 52.01 H new ATOM 0 HB3 TRP A 30 -21.592 -20.468 -13.949 1.00 52.01 H new ATOM 0 HD1 TRP A 30 -22.552 -23.915 -15.466 1.00 33.12 H new ATOM 0 HE1 TRP A 30 -20.393 -25.254 -15.948 1.00 32.43 H new ATOM 0 HE3 TRP A 30 -19.185 -20.676 -13.398 1.00 3.22 H new ATOM 0 HZ2 TRP A 30 -17.637 -24.930 -15.488 1.00 11.21 H new ATOM 0 HZ3 TRP A 30 -16.793 -21.261 -13.456 1.00 72.53 H new ATOM 0 HH2 TRP A 30 -16.031 -23.361 -14.492 1.00 41.10 H new ATOM 492 N LYS A 31 -22.592 -19.794 -11.364 1.00 64.42 N ATOM 493 CA LYS A 31 -23.004 -18.567 -10.693 1.00 60.24 C ATOM 494 C LYS A 31 -22.144 -17.388 -11.139 1.00 35.41 C ATOM 495 O LYS A 31 -20.955 -17.545 -11.417 1.00 43.51 O ATOM 496 CB LYS A 31 -22.910 -18.735 -9.175 1.00 75.32 C ATOM 497 CG LYS A 31 -23.520 -20.031 -8.668 1.00 53.40 C ATOM 498 CD LYS A 31 -25.016 -20.082 -8.928 1.00 75.03 C ATOM 499 CE LYS A 31 -25.733 -20.940 -7.896 1.00 45.14 C ATOM 500 NZ LYS A 31 -25.719 -22.382 -8.268 1.00 43.10 N ATOM 0 H LYS A 31 -21.625 -20.067 -11.186 1.00 64.42 H new ATOM 0 HA LYS A 31 -24.039 -18.363 -10.966 1.00 60.24 H new ATOM 0 HB2 LYS A 31 -21.862 -18.696 -8.878 1.00 75.32 H new ATOM 0 HB3 LYS A 31 -23.410 -17.895 -8.693 1.00 75.32 H new ATOM 0 HG2 LYS A 31 -23.036 -20.877 -9.156 1.00 53.40 H new ATOM 0 HG3 LYS A 31 -23.332 -20.129 -7.599 1.00 53.40 H new ATOM 0 HD2 LYS A 31 -25.424 -19.071 -8.909 1.00 75.03 H new ATOM 0 HD3 LYS A 31 -25.200 -20.481 -9.925 1.00 75.03 H new ATOM 0 HE2 LYS A 31 -25.258 -20.811 -6.923 1.00 45.14 H new ATOM 0 HE3 LYS A 31 -26.764 -20.601 -7.795 1.00 45.14 H new ATOM 0 HZ1 LYS A 31 -26.217 -22.933 -7.540 1.00 43.10 H new ATOM 0 HZ2 LYS A 31 -26.195 -22.509 -9.184 1.00 43.10 H new ATOM 0 HZ3 LYS A 31 -24.736 -22.712 -8.340 1.00 43.10 H new ATOM 514 N LEU A 32 -22.753 -16.209 -11.203 1.00 71.41 N ATOM 515 CA LEU A 32 -22.043 -15.003 -11.613 1.00 63.02 C ATOM 516 C LEU A 32 -22.369 -13.837 -10.685 1.00 63.13 C ATOM 517 O LEU A 32 -23.525 -13.628 -10.320 1.00 2.43 O ATOM 518 CB LEU A 32 -22.405 -14.639 -13.054 1.00 64.43 C ATOM 519 CG LEU A 32 -21.602 -13.498 -13.680 1.00 60.45 C ATOM 520 CD1 LEU A 32 -22.116 -12.153 -13.192 1.00 32.21 C ATOM 521 CD2 LEU A 32 -20.121 -13.652 -13.365 1.00 33.12 C ATOM 0 H LEU A 32 -23.737 -16.063 -10.976 1.00 71.41 H new ATOM 0 HA LEU A 32 -20.973 -15.203 -11.553 1.00 63.02 H new ATOM 0 HB2 LEU A 32 -22.281 -15.527 -13.674 1.00 64.43 H new ATOM 0 HB3 LEU A 32 -23.462 -14.373 -13.086 1.00 64.43 H new ATOM 0 HG LEU A 32 -21.729 -13.541 -14.762 1.00 60.45 H new ATOM 0 HD11 LEU A 32 -21.532 -11.353 -13.648 1.00 32.21 H new ATOM 0 HD12 LEU A 32 -23.164 -12.041 -13.470 1.00 32.21 H new ATOM 0 HD13 LEU A 32 -22.020 -12.099 -12.108 1.00 32.21 H new ATOM 0 HD21 LEU A 32 -19.565 -12.831 -13.819 1.00 33.12 H new ATOM 0 HD22 LEU A 32 -19.975 -13.636 -12.285 1.00 33.12 H new ATOM 0 HD23 LEU A 32 -19.760 -14.599 -13.766 1.00 33.12 H new ATOM 533 N GLU A 33 -21.342 -13.081 -10.310 1.00 42.35 N ATOM 534 CA GLU A 33 -21.520 -11.935 -9.426 1.00 55.14 C ATOM 535 C GLU A 33 -20.503 -10.842 -9.740 1.00 2.11 C ATOM 536 O GLU A 33 -19.319 -10.972 -9.427 1.00 52.12 O ATOM 537 CB GLU A 33 -21.389 -12.365 -7.964 1.00 64.50 C ATOM 538 CG GLU A 33 -22.219 -11.528 -7.006 1.00 23.13 C ATOM 539 CD GLU A 33 -21.837 -10.061 -7.032 1.00 51.24 C ATOM 540 OE1 GLU A 33 -20.801 -9.707 -6.432 1.00 2.04 O ATOM 541 OE2 GLU A 33 -22.574 -9.267 -7.653 1.00 50.32 O ATOM 0 H GLU A 33 -20.379 -13.241 -10.604 1.00 42.35 H new ATOM 0 HA GLU A 33 -22.520 -11.534 -9.591 1.00 55.14 H new ATOM 0 HB2 GLU A 33 -21.688 -13.409 -7.873 1.00 64.50 H new ATOM 0 HB3 GLU A 33 -20.341 -12.307 -7.670 1.00 64.50 H new ATOM 0 HG2 GLU A 33 -23.274 -11.629 -7.261 1.00 23.13 H new ATOM 0 HG3 GLU A 33 -22.097 -11.913 -5.994 1.00 23.13 H new ATOM 548 N PHE A 34 -20.973 -9.765 -10.360 1.00 44.35 N ATOM 549 CA PHE A 34 -20.104 -8.649 -10.718 1.00 75.14 C ATOM 550 C PHE A 34 -20.181 -7.543 -9.671 1.00 1.55 C ATOM 551 O PHE A 34 -21.253 -7.246 -9.144 1.00 43.42 O ATOM 552 CB PHE A 34 -20.491 -8.095 -12.091 1.00 41.41 C ATOM 553 CG PHE A 34 -21.786 -7.334 -12.088 1.00 31.15 C ATOM 554 CD1 PHE A 34 -22.998 -8.004 -12.143 1.00 41.33 C ATOM 555 CD2 PHE A 34 -21.792 -5.950 -12.028 1.00 1.12 C ATOM 556 CE1 PHE A 34 -24.191 -7.306 -12.141 1.00 31.20 C ATOM 557 CE2 PHE A 34 -22.982 -5.247 -12.025 1.00 11.03 C ATOM 558 CZ PHE A 34 -24.183 -5.926 -12.080 1.00 73.33 C ATOM 0 H PHE A 34 -21.950 -9.641 -10.625 1.00 44.35 H new ATOM 0 HA PHE A 34 -19.079 -9.017 -10.758 1.00 75.14 H new ATOM 0 HB2 PHE A 34 -19.695 -7.441 -12.447 1.00 41.41 H new ATOM 0 HB3 PHE A 34 -20.566 -8.920 -12.799 1.00 41.41 H new ATOM 0 HD1 PHE A 34 -23.010 -9.083 -12.188 1.00 41.33 H new ATOM 0 HD2 PHE A 34 -20.856 -5.414 -11.983 1.00 1.12 H new ATOM 0 HE1 PHE A 34 -25.129 -7.839 -12.187 1.00 31.20 H new ATOM 0 HE2 PHE A 34 -22.972 -4.168 -11.980 1.00 11.03 H new ATOM 0 HZ PHE A 34 -25.114 -5.379 -12.075 1.00 73.33 H new ATOM 568 N GLU A 35 -19.035 -6.937 -9.373 1.00 73.12 N ATOM 569 CA GLU A 35 -18.972 -5.865 -8.387 1.00 53.42 C ATOM 570 C GLU A 35 -19.768 -4.649 -8.854 1.00 32.10 C ATOM 571 O GLU A 35 -20.056 -4.482 -10.039 1.00 41.23 O ATOM 572 CB GLU A 35 -17.518 -5.466 -8.126 1.00 72.34 C ATOM 573 CG GLU A 35 -16.837 -6.311 -7.062 1.00 53.43 C ATOM 574 CD GLU A 35 -17.465 -6.140 -5.692 1.00 62.14 C ATOM 575 OE1 GLU A 35 -18.500 -6.786 -5.429 1.00 14.01 O ATOM 576 OE2 GLU A 35 -16.919 -5.360 -4.884 1.00 32.23 O ATOM 0 H GLU A 35 -18.139 -7.170 -9.800 1.00 73.12 H new ATOM 0 HA GLU A 35 -19.412 -6.233 -7.460 1.00 53.42 H new ATOM 0 HB2 GLU A 35 -16.956 -5.546 -9.056 1.00 72.34 H new ATOM 0 HB3 GLU A 35 -17.486 -4.420 -7.823 1.00 72.34 H new ATOM 0 HG2 GLU A 35 -16.885 -7.361 -7.351 1.00 53.43 H new ATOM 0 HG3 GLU A 35 -15.782 -6.042 -7.010 1.00 53.43 H new ATOM 946 N LEU A 60 -26.220 -13.037 -10.279 1.00 14.35 N ATOM 947 CA LEU A 60 -26.736 -13.670 -11.487 1.00 75.20 C ATOM 948 C LEU A 60 -26.507 -15.178 -11.452 1.00 13.22 C ATOM 949 O LEU A 60 -25.591 -15.661 -10.787 1.00 62.13 O ATOM 950 CB LEU A 60 -26.069 -13.070 -12.726 1.00 32.32 C ATOM 951 CG LEU A 60 -26.871 -12.002 -13.469 1.00 54.51 C ATOM 952 CD1 LEU A 60 -26.029 -11.369 -14.566 1.00 55.03 C ATOM 953 CD2 LEU A 60 -28.146 -12.598 -14.049 1.00 65.20 C ATOM 0 HA LEU A 60 -27.809 -13.485 -11.534 1.00 75.20 H new ATOM 0 HB2 LEU A 60 -25.115 -12.636 -12.426 1.00 32.32 H new ATOM 0 HB3 LEU A 60 -25.847 -13.879 -13.422 1.00 32.32 H new ATOM 0 HG LEU A 60 -27.149 -11.224 -12.758 1.00 54.51 H new ATOM 0 HD11 LEU A 60 -26.617 -10.611 -15.084 1.00 55.03 H new ATOM 0 HD12 LEU A 60 -25.146 -10.905 -14.125 1.00 55.03 H new ATOM 0 HD13 LEU A 60 -25.720 -12.136 -15.276 1.00 55.03 H new ATOM 0 HD21 LEU A 60 -28.704 -11.823 -14.574 1.00 65.20 H new ATOM 0 HD22 LEU A 60 -27.890 -13.396 -14.746 1.00 65.20 H new ATOM 0 HD23 LEU A 60 -28.758 -13.002 -13.243 1.00 65.20 H new ATOM 965 N SER A 61 -27.345 -15.916 -12.173 1.00 52.43 N ATOM 966 CA SER A 61 -27.235 -17.369 -12.223 1.00 51.25 C ATOM 967 C SER A 61 -27.224 -17.863 -13.667 1.00 34.23 C ATOM 968 O SER A 61 -28.181 -17.655 -14.414 1.00 21.35 O ATOM 969 CB SER A 61 -28.392 -18.016 -11.459 1.00 40.34 C ATOM 970 OG SER A 61 -28.790 -17.213 -10.362 1.00 13.14 O ATOM 0 H SER A 61 -28.108 -15.531 -12.731 1.00 52.43 H new ATOM 0 HA SER A 61 -26.294 -17.654 -11.752 1.00 51.25 H new ATOM 0 HB2 SER A 61 -29.238 -18.165 -12.131 1.00 40.34 H new ATOM 0 HB3 SER A 61 -28.091 -19.001 -11.103 1.00 40.34 H new ATOM 0 HG SER A 61 -29.532 -17.647 -9.891 1.00 13.14 H new ATOM 976 N PHE A 62 -26.135 -18.519 -14.053 1.00 30.23 N ATOM 977 CA PHE A 62 -25.998 -19.043 -15.407 1.00 24.24 C ATOM 978 C PHE A 62 -26.018 -20.569 -15.404 1.00 12.10 C ATOM 979 O PHE A 62 -25.846 -21.203 -14.362 1.00 52.50 O ATOM 980 CB PHE A 62 -24.699 -18.541 -16.041 1.00 53.54 C ATOM 981 CG PHE A 62 -24.728 -17.080 -16.389 1.00 13.42 C ATOM 982 CD1 PHE A 62 -25.259 -16.651 -17.595 1.00 24.10 C ATOM 983 CD2 PHE A 62 -24.225 -16.135 -15.509 1.00 43.32 C ATOM 984 CE1 PHE A 62 -25.287 -15.307 -17.918 1.00 31.34 C ATOM 985 CE2 PHE A 62 -24.251 -14.790 -15.826 1.00 41.22 C ATOM 986 CZ PHE A 62 -24.782 -14.376 -17.032 1.00 44.43 C ATOM 0 H PHE A 62 -25.334 -18.701 -13.448 1.00 30.23 H new ATOM 0 HA PHE A 62 -26.844 -18.687 -15.995 1.00 24.24 H new ATOM 0 HB2 PHE A 62 -23.873 -18.726 -15.354 1.00 53.54 H new ATOM 0 HB3 PHE A 62 -24.498 -19.118 -16.944 1.00 53.54 H new ATOM 0 HD1 PHE A 62 -25.656 -17.375 -18.291 1.00 24.10 H new ATOM 0 HD2 PHE A 62 -23.808 -16.453 -14.565 1.00 43.32 H new ATOM 0 HE1 PHE A 62 -25.703 -14.986 -18.861 1.00 31.34 H new ATOM 0 HE2 PHE A 62 -23.856 -14.063 -15.131 1.00 41.22 H new ATOM 0 HZ PHE A 62 -24.802 -13.325 -17.282 1.00 44.43 H new ATOM 996 N THR A 63 -26.231 -21.154 -16.579 1.00 22.03 N ATOM 997 CA THR A 63 -26.276 -22.605 -16.713 1.00 51.50 C ATOM 998 C THR A 63 -24.957 -23.148 -17.249 1.00 61.53 C ATOM 999 O THR A 63 -24.440 -24.152 -16.757 1.00 13.05 O ATOM 1000 CB THR A 63 -27.418 -23.047 -17.647 1.00 53.21 C ATOM 1001 OG1 THR A 63 -28.611 -22.315 -17.343 1.00 31.44 O ATOM 1002 CG2 THR A 63 -27.683 -24.539 -17.509 1.00 41.54 C ATOM 0 H THR A 63 -26.375 -20.645 -17.451 1.00 22.03 H new ATOM 0 HA THR A 63 -26.454 -23.010 -15.717 1.00 51.50 H new ATOM 0 HB THR A 63 -27.118 -22.841 -18.674 1.00 53.21 H new ATOM 0 HG1 THR A 63 -29.332 -22.601 -17.942 1.00 31.44 H new ATOM 0 HG21 THR A 63 -28.493 -24.828 -18.178 1.00 41.54 H new ATOM 0 HG22 THR A 63 -26.782 -25.094 -17.770 1.00 41.54 H new ATOM 0 HG23 THR A 63 -27.964 -24.765 -16.480 1.00 41.54 H new ATOM 1010 N THR A 64 -24.414 -22.480 -18.262 1.00 53.13 N ATOM 1011 CA THR A 64 -23.155 -22.897 -18.866 1.00 1.41 C ATOM 1012 C THR A 64 -22.097 -21.807 -18.739 1.00 0.52 C ATOM 1013 O THR A 64 -22.391 -20.622 -18.899 1.00 44.22 O ATOM 1014 CB THR A 64 -23.335 -23.250 -20.354 1.00 72.13 C ATOM 1015 OG1 THR A 64 -24.419 -22.497 -20.909 1.00 15.11 O ATOM 1016 CG2 THR A 64 -23.603 -24.737 -20.529 1.00 21.54 C ATOM 0 H THR A 64 -24.827 -21.647 -18.682 1.00 53.13 H new ATOM 0 HA THR A 64 -22.825 -23.785 -18.327 1.00 1.41 H new ATOM 0 HB THR A 64 -22.413 -22.999 -20.878 1.00 72.13 H new ATOM 0 HG1 THR A 64 -24.526 -22.726 -21.856 1.00 15.11 H new ATOM 0 HG21 THR A 64 -23.727 -24.962 -21.588 1.00 21.54 H new ATOM 0 HG22 THR A 64 -22.763 -25.307 -20.132 1.00 21.54 H new ATOM 0 HG23 THR A 64 -24.512 -25.009 -19.992 1.00 21.54 H new ATOM 1024 N ARG A 65 -20.865 -22.214 -18.450 1.00 74.55 N ATOM 1025 CA ARG A 65 -19.764 -21.271 -18.301 1.00 65.55 C ATOM 1026 C ARG A 65 -19.678 -20.340 -19.507 1.00 73.01 C ATOM 1027 O ARG A 65 -19.390 -19.152 -19.366 1.00 23.21 O ATOM 1028 CB ARG A 65 -18.442 -22.022 -18.129 1.00 23.00 C ATOM 1029 CG ARG A 65 -18.272 -23.185 -19.092 1.00 64.25 C ATOM 1030 CD ARG A 65 -16.935 -23.119 -19.815 1.00 72.11 C ATOM 1031 NE ARG A 65 -16.376 -24.447 -20.054 1.00 51.15 N ATOM 1032 CZ ARG A 65 -15.088 -24.670 -20.292 1.00 74.14 C ATOM 1033 NH1 ARG A 65 -14.231 -23.659 -20.322 1.00 54.12 N ATOM 1034 NH2 ARG A 65 -14.656 -25.907 -20.501 1.00 23.03 N ATOM 0 H ARG A 65 -20.605 -23.191 -18.314 1.00 74.55 H new ATOM 0 HA ARG A 65 -19.952 -20.669 -17.412 1.00 65.55 H new ATOM 0 HB2 ARG A 65 -17.617 -21.324 -18.267 1.00 23.00 H new ATOM 0 HB3 ARG A 65 -18.376 -22.395 -17.107 1.00 23.00 H new ATOM 0 HG2 ARG A 65 -18.345 -24.125 -18.545 1.00 64.25 H new ATOM 0 HG3 ARG A 65 -19.082 -23.176 -19.821 1.00 64.25 H new ATOM 0 HD2 ARG A 65 -17.063 -22.603 -20.766 1.00 72.11 H new ATOM 0 HD3 ARG A 65 -16.232 -22.531 -19.225 1.00 72.11 H new ATOM 0 HE ARG A 65 -17.009 -25.247 -20.037 1.00 51.15 H new ATOM 0 HH11 ARG A 65 -14.560 -22.707 -20.162 1.00 54.12 H new ATOM 0 HH12 ARG A 65 -13.243 -23.833 -20.505 1.00 54.12 H new ATOM 0 HH21 ARG A 65 -15.313 -26.687 -20.479 1.00 23.03 H new ATOM 0 HH22 ARG A 65 -13.667 -26.078 -20.684 1.00 23.03 H new ATOM 1048 N GLU A 66 -19.931 -20.889 -20.691 1.00 50.54 N ATOM 1049 CA GLU A 66 -19.881 -20.106 -21.921 1.00 32.30 C ATOM 1050 C GLU A 66 -20.749 -18.857 -21.806 1.00 54.44 C ATOM 1051 O GLU A 66 -20.441 -17.817 -22.391 1.00 14.02 O ATOM 1052 CB GLU A 66 -20.341 -20.953 -23.109 1.00 74.14 C ATOM 1053 CG GLU A 66 -19.274 -21.900 -23.632 1.00 1.31 C ATOM 1054 CD GLU A 66 -19.777 -22.783 -24.757 1.00 35.11 C ATOM 1055 OE1 GLU A 66 -20.478 -23.774 -24.465 1.00 73.52 O ATOM 1056 OE2 GLU A 66 -19.470 -22.482 -25.929 1.00 74.15 O ATOM 0 H GLU A 66 -20.172 -21.871 -20.825 1.00 50.54 H new ATOM 0 HA GLU A 66 -18.849 -19.796 -22.083 1.00 32.30 H new ATOM 0 HB2 GLU A 66 -21.216 -21.532 -22.814 1.00 74.14 H new ATOM 0 HB3 GLU A 66 -20.654 -20.291 -23.916 1.00 74.14 H new ATOM 0 HG2 GLU A 66 -18.421 -21.321 -23.984 1.00 1.31 H new ATOM 0 HG3 GLU A 66 -18.918 -22.527 -22.815 1.00 1.31 H new ATOM 1063 N LEU A 67 -21.836 -18.966 -21.050 1.00 50.11 N ATOM 1064 CA LEU A 67 -22.750 -17.846 -20.858 1.00 55.42 C ATOM 1065 C LEU A 67 -22.210 -16.875 -19.813 1.00 15.30 C ATOM 1066 O LEU A 67 -22.360 -15.660 -19.944 1.00 23.21 O ATOM 1067 CB LEU A 67 -24.129 -18.354 -20.434 1.00 75.12 C ATOM 1068 CG LEU A 67 -25.329 -17.648 -21.067 1.00 70.12 C ATOM 1069 CD1 LEU A 67 -25.275 -17.759 -22.583 1.00 4.40 C ATOM 1070 CD2 LEU A 67 -26.631 -18.228 -20.535 1.00 32.13 C ATOM 0 H LEU A 67 -22.106 -19.819 -20.560 1.00 50.11 H new ATOM 0 HA LEU A 67 -22.840 -17.317 -21.807 1.00 55.42 H new ATOM 0 HB2 LEU A 67 -24.191 -19.416 -20.671 1.00 75.12 H new ATOM 0 HB3 LEU A 67 -24.210 -18.264 -19.351 1.00 75.12 H new ATOM 0 HG LEU A 67 -25.288 -16.592 -20.798 1.00 70.12 H new ATOM 0 HD11 LEU A 67 -26.137 -17.251 -23.016 1.00 4.40 H new ATOM 0 HD12 LEU A 67 -24.359 -17.296 -22.949 1.00 4.40 H new ATOM 0 HD13 LEU A 67 -25.291 -18.810 -22.872 1.00 4.40 H new ATOM 0 HD21 LEU A 67 -27.474 -17.713 -20.996 1.00 32.13 H new ATOM 0 HD22 LEU A 67 -26.680 -19.291 -20.773 1.00 32.13 H new ATOM 0 HD23 LEU A 67 -26.673 -18.096 -19.454 1.00 32.13 H new ATOM 1082 N ALA A 68 -21.581 -17.419 -18.777 1.00 3.21 N ATOM 1083 CA ALA A 68 -21.015 -16.601 -17.712 1.00 5.24 C ATOM 1084 C ALA A 68 -19.861 -15.748 -18.228 1.00 65.43 C ATOM 1085 O ALA A 68 -19.957 -14.522 -18.279 1.00 2.23 O ATOM 1086 CB ALA A 68 -20.549 -17.481 -16.561 1.00 12.10 C ATOM 0 H ALA A 68 -21.450 -18.423 -18.653 1.00 3.21 H new ATOM 0 HA ALA A 68 -21.795 -15.930 -17.350 1.00 5.24 H new ATOM 0 HB1 ALA A 68 -20.128 -16.857 -15.773 1.00 12.10 H new ATOM 0 HB2 ALA A 68 -21.396 -18.042 -16.166 1.00 12.10 H new ATOM 0 HB3 ALA A 68 -19.788 -18.175 -16.919 1.00 12.10 H new ATOM 1092 N ILE A 69 -18.771 -16.405 -18.610 1.00 64.42 N ATOM 1093 CA ILE A 69 -17.599 -15.707 -19.123 1.00 43.23 C ATOM 1094 C ILE A 69 -17.978 -14.748 -20.247 1.00 32.21 C ATOM 1095 O ILE A 69 -17.385 -13.680 -20.392 1.00 63.12 O ATOM 1096 CB ILE A 69 -16.537 -16.694 -19.643 1.00 32.41 C ATOM 1097 CG1 ILE A 69 -16.012 -17.562 -18.497 1.00 40.11 C ATOM 1098 CG2 ILE A 69 -15.396 -15.942 -20.311 1.00 71.32 C ATOM 1099 CD1 ILE A 69 -16.669 -18.922 -18.419 1.00 64.32 C ATOM 0 H ILE A 69 -18.675 -17.420 -18.574 1.00 64.42 H new ATOM 0 HA ILE A 69 -17.181 -15.141 -18.291 1.00 43.23 H new ATOM 0 HB ILE A 69 -17.000 -17.345 -20.385 1.00 32.41 H new ATOM 0 HG12 ILE A 69 -14.936 -17.693 -18.615 1.00 40.11 H new ATOM 0 HG13 ILE A 69 -16.168 -17.038 -17.554 1.00 40.11 H new ATOM 0 HG21 ILE A 69 -14.654 -16.654 -20.673 1.00 71.32 H new ATOM 0 HG22 ILE A 69 -15.783 -15.363 -21.150 1.00 71.32 H new ATOM 0 HG23 ILE A 69 -14.932 -15.269 -19.590 1.00 71.32 H new ATOM 0 HD11 ILE A 69 -16.248 -19.482 -17.584 1.00 64.32 H new ATOM 0 HD12 ILE A 69 -17.742 -18.800 -18.270 1.00 64.32 H new ATOM 0 HD13 ILE A 69 -16.491 -19.466 -19.347 1.00 64.32 H new ATOM 1111 N ALA A 70 -18.972 -15.137 -21.038 1.00 75.14 N ATOM 1112 CA ALA A 70 -19.434 -14.311 -22.147 1.00 14.33 C ATOM 1113 C ALA A 70 -19.793 -12.907 -21.672 1.00 50.43 C ATOM 1114 O ALA A 70 -19.564 -11.925 -22.379 1.00 1.30 O ATOM 1115 CB ALA A 70 -20.629 -14.961 -22.828 1.00 34.23 C ATOM 0 H ALA A 70 -19.473 -16.019 -20.932 1.00 75.14 H new ATOM 0 HA ALA A 70 -18.621 -14.226 -22.868 1.00 14.33 H new ATOM 0 HB1 ALA A 70 -20.963 -14.333 -23.654 1.00 34.23 H new ATOM 0 HB2 ALA A 70 -20.342 -15.941 -23.210 1.00 34.23 H new ATOM 0 HB3 ALA A 70 -21.440 -15.076 -22.109 1.00 34.23 H new ATOM 1121 N TYR A 71 -20.357 -12.819 -20.473 1.00 0.41 N ATOM 1122 CA TYR A 71 -20.750 -11.534 -19.906 1.00 33.33 C ATOM 1123 C TYR A 71 -19.533 -10.642 -19.681 1.00 32.44 C ATOM 1124 O TYR A 71 -19.480 -9.512 -20.165 1.00 64.52 O ATOM 1125 CB TYR A 71 -21.495 -11.743 -18.586 1.00 1.41 C ATOM 1126 CG TYR A 71 -22.943 -11.312 -18.633 1.00 55.23 C ATOM 1127 CD1 TYR A 71 -23.762 -11.675 -19.696 1.00 31.34 C ATOM 1128 CD2 TYR A 71 -23.493 -10.541 -17.617 1.00 13.41 C ATOM 1129 CE1 TYR A 71 -25.086 -11.284 -19.744 1.00 11.52 C ATOM 1130 CE2 TYR A 71 -24.816 -10.146 -17.656 1.00 14.51 C ATOM 1131 CZ TYR A 71 -25.609 -10.519 -18.721 1.00 64.24 C ATOM 1132 OH TYR A 71 -26.927 -10.126 -18.765 1.00 23.53 O ATOM 0 H TYR A 71 -20.552 -13.622 -19.875 1.00 0.41 H new ATOM 0 HA TYR A 71 -21.413 -11.039 -20.616 1.00 33.33 H new ATOM 0 HB2 TYR A 71 -21.447 -12.798 -18.315 1.00 1.41 H new ATOM 0 HB3 TYR A 71 -20.985 -11.188 -17.799 1.00 1.41 H new ATOM 0 HD1 TYR A 71 -23.356 -12.273 -20.498 1.00 31.34 H new ATOM 0 HD2 TYR A 71 -22.875 -10.245 -16.782 1.00 13.41 H new ATOM 0 HE1 TYR A 71 -25.708 -11.575 -20.577 1.00 11.52 H new ATOM 0 HE2 TYR A 71 -25.228 -9.548 -16.856 1.00 14.51 H new ATOM 0 HH TYR A 71 -27.137 -9.595 -17.969 1.00 23.53 H new ATOM 1142 N ALA A 72 -18.557 -11.160 -18.942 1.00 11.00 N ATOM 1143 CA ALA A 72 -17.339 -10.413 -18.654 1.00 61.10 C ATOM 1144 C ALA A 72 -16.606 -10.042 -19.939 1.00 22.23 C ATOM 1145 O ALA A 72 -16.294 -8.874 -20.173 1.00 30.55 O ATOM 1146 CB ALA A 72 -16.429 -11.220 -17.739 1.00 13.40 C ATOM 0 H ALA A 72 -18.586 -12.094 -18.532 1.00 11.00 H new ATOM 0 HA ALA A 72 -17.619 -9.490 -18.147 1.00 61.10 H new ATOM 0 HB1 ALA A 72 -15.523 -10.650 -17.532 1.00 13.40 H new ATOM 0 HB2 ALA A 72 -16.947 -11.430 -16.803 1.00 13.40 H new ATOM 0 HB3 ALA A 72 -16.164 -12.159 -18.225 1.00 13.40 H new ATOM 1152 N VAL A 73 -16.332 -11.044 -20.769 1.00 13.21 N ATOM 1153 CA VAL A 73 -15.636 -10.823 -22.031 1.00 2.55 C ATOM 1154 C VAL A 73 -16.303 -9.716 -22.840 1.00 32.40 C ATOM 1155 O VAL A 73 -15.643 -8.998 -23.591 1.00 35.42 O ATOM 1156 CB VAL A 73 -15.589 -12.107 -22.879 1.00 30.44 C ATOM 1157 CG1 VAL A 73 -14.893 -11.846 -24.206 1.00 22.44 C ATOM 1158 CG2 VAL A 73 -14.896 -13.225 -22.114 1.00 43.11 C ATOM 0 H VAL A 73 -16.582 -12.017 -20.590 1.00 13.21 H new ATOM 0 HA VAL A 73 -14.618 -10.524 -21.782 1.00 2.55 H new ATOM 0 HB VAL A 73 -16.612 -12.421 -23.089 1.00 30.44 H new ATOM 0 HG11 VAL A 73 -14.869 -12.765 -24.791 1.00 22.44 H new ATOM 0 HG12 VAL A 73 -15.436 -11.079 -24.757 1.00 22.44 H new ATOM 0 HG13 VAL A 73 -13.874 -11.507 -24.022 1.00 22.44 H new ATOM 0 HG21 VAL A 73 -14.872 -14.125 -22.728 1.00 43.11 H new ATOM 0 HG22 VAL A 73 -13.877 -12.923 -21.872 1.00 43.11 H new ATOM 0 HG23 VAL A 73 -15.442 -13.429 -21.193 1.00 43.11 H new ATOM 1168 N ALA A 74 -17.616 -9.584 -22.681 1.00 71.55 N ATOM 1169 CA ALA A 74 -18.373 -8.564 -23.396 1.00 10.14 C ATOM 1170 C ALA A 74 -17.747 -7.186 -23.210 1.00 12.20 C ATOM 1171 O ALA A 74 -17.774 -6.353 -24.117 1.00 70.31 O ATOM 1172 CB ALA A 74 -19.821 -8.556 -22.927 1.00 4.20 C ATOM 0 H ALA A 74 -18.177 -10.171 -22.063 1.00 71.55 H new ATOM 0 HA ALA A 74 -18.348 -8.805 -24.459 1.00 10.14 H new ATOM 0 HB1 ALA A 74 -20.375 -7.790 -23.469 1.00 4.20 H new ATOM 0 HB2 ALA A 74 -20.270 -9.531 -23.117 1.00 4.20 H new ATOM 0 HB3 ALA A 74 -19.856 -8.342 -21.859 1.00 4.20 H new ATOM 1178 N HIS A 75 -17.185 -6.951 -22.029 1.00 3.43 N ATOM 1179 CA HIS A 75 -16.552 -5.672 -21.724 1.00 62.13 C ATOM 1180 C HIS A 75 -15.124 -5.877 -21.227 1.00 32.40 C ATOM 1181 O HIS A 75 -14.577 -5.037 -20.512 1.00 73.04 O ATOM 1182 CB HIS A 75 -17.365 -4.913 -20.676 1.00 35.24 C ATOM 1183 CG HIS A 75 -18.514 -4.142 -21.251 1.00 24.51 C ATOM 1184 ND1 HIS A 75 -18.448 -3.487 -22.462 1.00 75.35 N ATOM 1185 CD2 HIS A 75 -19.762 -3.926 -20.774 1.00 42.33 C ATOM 1186 CE1 HIS A 75 -19.606 -2.899 -22.705 1.00 73.44 C ATOM 1187 NE2 HIS A 75 -20.421 -3.151 -21.696 1.00 41.54 N ATOM 0 H HIS A 75 -17.155 -7.629 -21.267 1.00 3.43 H new ATOM 0 HA HIS A 75 -16.518 -5.084 -22.641 1.00 62.13 H new ATOM 0 HB2 HIS A 75 -17.746 -5.622 -19.940 1.00 35.24 H new ATOM 0 HB3 HIS A 75 -16.706 -4.226 -20.145 1.00 35.24 H new ATOM 0 HD2 HIS A 75 -20.164 -4.295 -19.842 1.00 42.33 H new ATOM 0 HE1 HIS A 75 -19.846 -2.312 -23.579 1.00 73.44 H new ATOM 0 HE2 HIS A 75 -21.383 -2.823 -21.615 1.00 41.54 H new ATOM 1195 N LYS A 76 -14.526 -7.000 -21.609 1.00 25.52 N ATOM 1196 CA LYS A 76 -13.161 -7.317 -21.203 1.00 34.21 C ATOM 1197 C LYS A 76 -13.003 -7.200 -19.690 1.00 43.13 C ATOM 1198 O LYS A 76 -11.986 -6.708 -19.200 1.00 40.10 O ATOM 1199 CB LYS A 76 -12.170 -6.386 -21.904 1.00 64.31 C ATOM 1200 CG LYS A 76 -10.775 -6.973 -22.038 1.00 1.14 C ATOM 1201 CD LYS A 76 -10.038 -6.393 -23.233 1.00 40.40 C ATOM 1202 CE LYS A 76 -10.645 -6.866 -24.545 1.00 43.21 C ATOM 1203 NZ LYS A 76 -9.629 -6.936 -25.632 1.00 73.41 N ATOM 0 H LYS A 76 -14.965 -7.707 -22.199 1.00 25.52 H new ATOM 0 HA LYS A 76 -12.951 -8.346 -21.494 1.00 34.21 H new ATOM 0 HB2 LYS A 76 -12.551 -6.145 -22.897 1.00 64.31 H new ATOM 0 HB3 LYS A 76 -12.109 -5.450 -21.350 1.00 64.31 H new ATOM 0 HG2 LYS A 76 -10.207 -6.776 -21.129 1.00 1.14 H new ATOM 0 HG3 LYS A 76 -10.843 -8.056 -22.142 1.00 1.14 H new ATOM 0 HD2 LYS A 76 -10.069 -5.304 -23.188 1.00 40.40 H new ATOM 0 HD3 LYS A 76 -8.988 -6.684 -23.191 1.00 40.40 H new ATOM 0 HE2 LYS A 76 -11.094 -7.849 -24.404 1.00 43.21 H new ATOM 0 HE3 LYS A 76 -11.446 -6.188 -24.840 1.00 43.21 H new ATOM 0 HZ1 LYS A 76 -10.082 -7.262 -26.510 1.00 73.41 H new ATOM 0 HZ2 LYS A 76 -9.218 -5.993 -25.784 1.00 73.41 H new ATOM 0 HZ3 LYS A 76 -8.877 -7.602 -25.362 1.00 73.41 H new ATOM 1217 N ILE A 77 -14.013 -7.656 -18.957 1.00 3.30 N ATOM 1218 CA ILE A 77 -13.983 -7.604 -17.501 1.00 0.24 C ATOM 1219 C ILE A 77 -13.218 -8.790 -16.924 1.00 34.43 C ATOM 1220 O ILE A 77 -13.327 -9.912 -17.419 1.00 63.15 O ATOM 1221 CB ILE A 77 -15.405 -7.587 -16.909 1.00 3.32 C ATOM 1222 CG1 ILE A 77 -16.197 -6.400 -17.462 1.00 24.04 C ATOM 1223 CG2 ILE A 77 -15.345 -7.529 -15.390 1.00 34.44 C ATOM 1224 CD1 ILE A 77 -17.685 -6.496 -17.209 1.00 21.33 C ATOM 0 H ILE A 77 -14.862 -8.065 -19.347 1.00 3.30 H new ATOM 0 HA ILE A 77 -13.474 -6.680 -17.229 1.00 0.24 H new ATOM 0 HB ILE A 77 -15.915 -8.506 -17.198 1.00 3.32 H new ATOM 0 HG12 ILE A 77 -15.819 -5.481 -17.014 1.00 24.04 H new ATOM 0 HG13 ILE A 77 -16.023 -6.326 -18.536 1.00 24.04 H new ATOM 0 HG21 ILE A 77 -16.357 -7.518 -14.986 1.00 34.44 H new ATOM 0 HG22 ILE A 77 -14.814 -8.403 -15.013 1.00 34.44 H new ATOM 0 HG23 ILE A 77 -14.821 -6.625 -15.081 1.00 34.44 H new ATOM 0 HD11 ILE A 77 -18.182 -5.621 -17.628 1.00 21.33 H new ATOM 0 HD12 ILE A 77 -18.077 -7.397 -17.681 1.00 21.33 H new ATOM 0 HD13 ILE A 77 -17.870 -6.539 -16.136 1.00 21.33 H new ATOM 1236 N ASP A 78 -12.447 -8.535 -15.873 1.00 30.43 N ATOM 1237 CA ASP A 78 -11.666 -9.583 -15.225 1.00 71.14 C ATOM 1238 C ASP A 78 -12.572 -10.542 -14.459 1.00 53.41 C ATOM 1239 O ASP A 78 -13.047 -10.225 -13.368 1.00 2.20 O ATOM 1240 CB ASP A 78 -10.635 -8.968 -14.277 1.00 73.43 C ATOM 1241 CG ASP A 78 -9.961 -7.746 -14.869 1.00 15.24 C ATOM 1242 OD1 ASP A 78 -8.965 -7.914 -15.602 1.00 42.15 O ATOM 1243 OD2 ASP A 78 -10.431 -6.621 -14.598 1.00 72.02 O ATOM 0 H ASP A 78 -12.346 -7.612 -15.451 1.00 30.43 H new ATOM 0 HA ASP A 78 -11.145 -10.145 -16.000 1.00 71.14 H new ATOM 0 HB2 ASP A 78 -11.124 -8.693 -13.342 1.00 73.43 H new ATOM 0 HB3 ASP A 78 -9.879 -9.714 -14.034 1.00 73.43 H new ATOM 1248 N TYR A 79 -12.809 -11.713 -15.038 1.00 32.52 N ATOM 1249 CA TYR A 79 -13.662 -12.717 -14.411 1.00 44.12 C ATOM 1250 C TYR A 79 -12.824 -13.796 -13.733 1.00 22.35 C ATOM 1251 O TYR A 79 -11.852 -14.296 -14.301 1.00 53.54 O ATOM 1252 CB TYR A 79 -14.586 -13.352 -15.451 1.00 14.00 C ATOM 1253 CG TYR A 79 -13.850 -14.074 -16.556 1.00 65.31 C ATOM 1254 CD1 TYR A 79 -13.435 -13.399 -17.698 1.00 21.32 C ATOM 1255 CD2 TYR A 79 -13.569 -15.432 -16.459 1.00 43.54 C ATOM 1256 CE1 TYR A 79 -12.762 -14.055 -18.710 1.00 61.15 C ATOM 1257 CE2 TYR A 79 -12.895 -16.095 -17.466 1.00 70.14 C ATOM 1258 CZ TYR A 79 -12.494 -15.403 -18.590 1.00 1.31 C ATOM 1259 OH TYR A 79 -11.824 -16.060 -19.596 1.00 22.51 O ATOM 0 H TYR A 79 -12.423 -11.991 -15.940 1.00 32.52 H new ATOM 0 HA TYR A 79 -14.267 -12.221 -13.652 1.00 44.12 H new ATOM 0 HB2 TYR A 79 -15.253 -14.054 -14.951 1.00 14.00 H new ATOM 0 HB3 TYR A 79 -15.212 -12.576 -15.890 1.00 14.00 H new ATOM 0 HD1 TYR A 79 -13.642 -12.344 -17.796 1.00 21.32 H new ATOM 0 HD2 TYR A 79 -13.883 -15.978 -15.582 1.00 43.54 H new ATOM 0 HE1 TYR A 79 -12.447 -13.515 -19.591 1.00 61.15 H new ATOM 0 HE2 TYR A 79 -12.683 -17.150 -17.374 1.00 70.14 H new ATOM 0 HH TYR A 79 -11.715 -17.004 -19.355 1.00 22.51 H new ATOM 1269 N THR A 80 -13.208 -14.153 -12.511 1.00 23.33 N ATOM 1270 CA THR A 80 -12.494 -15.173 -11.752 1.00 45.45 C ATOM 1271 C THR A 80 -13.327 -16.442 -11.617 1.00 42.12 C ATOM 1272 O THR A 80 -14.528 -16.383 -11.353 1.00 62.15 O ATOM 1273 CB THR A 80 -12.117 -14.667 -10.347 1.00 14.20 C ATOM 1274 OG1 THR A 80 -11.485 -15.714 -9.602 1.00 53.14 O ATOM 1275 CG2 THR A 80 -13.349 -14.179 -9.600 1.00 14.21 C ATOM 0 H THR A 80 -14.010 -13.751 -12.026 1.00 23.33 H new ATOM 0 HA THR A 80 -11.582 -15.398 -12.305 1.00 45.45 H new ATOM 0 HB THR A 80 -11.424 -13.833 -10.459 1.00 14.20 H new ATOM 0 HG1 THR A 80 -11.247 -15.383 -8.711 1.00 53.14 H new ATOM 0 HG21 THR A 80 -13.059 -13.826 -8.610 1.00 14.21 H new ATOM 0 HG22 THR A 80 -13.811 -13.363 -10.155 1.00 14.21 H new ATOM 0 HG23 THR A 80 -14.061 -14.998 -9.499 1.00 14.21 H new ATOM 1283 N VAL A 81 -12.682 -17.590 -11.799 1.00 3.03 N ATOM 1284 CA VAL A 81 -13.363 -18.875 -11.695 1.00 54.40 C ATOM 1285 C VAL A 81 -13.097 -19.531 -10.345 1.00 43.20 C ATOM 1286 O VAL A 81 -11.946 -19.768 -9.974 1.00 73.20 O ATOM 1287 CB VAL A 81 -12.924 -19.835 -12.816 1.00 72.21 C ATOM 1288 CG1 VAL A 81 -13.417 -19.340 -14.167 1.00 41.13 C ATOM 1289 CG2 VAL A 81 -11.412 -19.996 -12.817 1.00 45.01 C ATOM 0 H VAL A 81 -11.688 -17.656 -12.019 1.00 3.03 H new ATOM 0 HA VAL A 81 -14.430 -18.676 -11.794 1.00 54.40 H new ATOM 0 HB VAL A 81 -13.370 -20.812 -12.630 1.00 72.21 H new ATOM 0 HG11 VAL A 81 -13.097 -20.031 -14.947 1.00 41.13 H new ATOM 0 HG12 VAL A 81 -14.505 -19.282 -14.158 1.00 41.13 H new ATOM 0 HG13 VAL A 81 -13.002 -18.352 -14.366 1.00 41.13 H new ATOM 0 HG21 VAL A 81 -11.119 -20.678 -13.616 1.00 45.01 H new ATOM 0 HG22 VAL A 81 -10.943 -19.025 -12.978 1.00 45.01 H new ATOM 0 HG23 VAL A 81 -11.089 -20.400 -11.858 1.00 45.01 H new ATOM 1299 N LEU A 82 -14.167 -19.823 -9.614 1.00 4.53 N ATOM 1300 CA LEU A 82 -14.049 -20.453 -8.303 1.00 51.23 C ATOM 1301 C LEU A 82 -14.501 -21.909 -8.357 1.00 12.42 C ATOM 1302 O LEU A 82 -15.520 -22.229 -8.968 1.00 33.35 O ATOM 1303 CB LEU A 82 -14.878 -19.687 -7.271 1.00 13.10 C ATOM 1304 CG LEU A 82 -14.395 -18.276 -6.935 1.00 3.12 C ATOM 1305 CD1 LEU A 82 -15.487 -17.493 -6.222 1.00 45.02 C ATOM 1306 CD2 LEU A 82 -13.134 -18.333 -6.084 1.00 15.33 C ATOM 0 H LEU A 82 -15.126 -19.634 -9.906 1.00 4.53 H new ATOM 0 HA LEU A 82 -13.000 -20.428 -8.007 1.00 51.23 H new ATOM 0 HB2 LEU A 82 -15.903 -19.621 -7.635 1.00 13.10 H new ATOM 0 HB3 LEU A 82 -14.903 -20.270 -6.350 1.00 13.10 H new ATOM 0 HG LEU A 82 -14.158 -17.762 -7.867 1.00 3.12 H new ATOM 0 HD11 LEU A 82 -15.125 -16.491 -5.991 1.00 45.02 H new ATOM 0 HD12 LEU A 82 -16.364 -17.422 -6.866 1.00 45.02 H new ATOM 0 HD13 LEU A 82 -15.756 -18.004 -5.297 1.00 45.02 H new ATOM 0 HD21 LEU A 82 -12.804 -17.320 -5.854 1.00 15.33 H new ATOM 0 HD22 LEU A 82 -13.345 -18.865 -5.156 1.00 15.33 H new ATOM 0 HD23 LEU A 82 -12.349 -18.855 -6.631 1.00 15.33 H new