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= 0.00571 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= -0.0151 X(o=-0.015,f=-0.021) 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 -15.405 -6.286 -11.905 1.00 62.51 N ATOM 125 CA ARG A 9 -14.924 -7.657 -12.032 1.00 72.35 C ATOM 126 C ARG A 9 -16.074 -8.651 -11.902 1.00 53.10 C ATOM 127 O ARG A 9 -17.032 -8.415 -11.166 1.00 11.53 O ATOM 128 CB ARG A 9 -13.862 -7.948 -10.971 1.00 54.12 C ATOM 129 CG ARG A 9 -12.647 -7.038 -11.060 1.00 13.32 C ATOM 130 CD ARG A 9 -11.729 -7.216 -9.861 1.00 35.10 C ATOM 131 NE ARG A 9 -11.253 -8.591 -9.735 1.00 75.14 N ATOM 132 CZ ARG A 9 -10.578 -9.042 -8.685 1.00 21.35 C ATOM 133 NH1 ARG A 9 -10.301 -8.231 -7.673 1.00 31.01 N ATOM 134 NH2 ARG A 9 -10.178 -10.306 -8.643 1.00 64.53 N ATOM 0 HA ARG A 9 -14.480 -7.769 -13.021 1.00 72.35 H new ATOM 0 HB2 ARG A 9 -14.310 -7.846 -9.983 1.00 54.12 H new ATOM 0 HB3 ARG A 9 -13.537 -8.984 -11.068 1.00 54.12 H new ATOM 0 HG2 ARG A 9 -12.097 -7.253 -11.976 1.00 13.32 H new ATOM 0 HG3 ARG A 9 -12.972 -5.999 -11.120 1.00 13.32 H new ATOM 0 HD2 ARG A 9 -10.876 -6.544 -9.955 1.00 35.10 H new ATOM 0 HD3 ARG A 9 -12.260 -6.932 -8.953 1.00 35.10 H new ATOM 0 HE ARG A 9 -11.450 -9.241 -10.496 1.00 75.14 H new ATOM 0 HH11 ARG A 9 -10.607 -7.258 -7.700 1.00 31.01 H new ATOM 0 HH12 ARG A 9 -9.782 -8.580 -6.867 1.00 31.01 H new ATOM 0 HH21 ARG A 9 -10.389 -10.934 -9.419 1.00 64.53 H new ATOM 0 HH22 ARG A 9 -9.659 -10.650 -7.835 1.00 64.53 H new ATOM 148 N ALA A 10 -15.973 -9.763 -12.622 1.00 42.35 N ATOM 149 CA ALA A 10 -17.003 -10.794 -12.586 1.00 31.11 C ATOM 150 C ALA A 10 -16.575 -11.967 -11.712 1.00 32.04 C ATOM 151 O ALA A 10 -15.482 -12.509 -11.874 1.00 42.35 O ATOM 152 CB ALA A 10 -17.321 -11.271 -13.995 1.00 21.23 C ATOM 0 H ALA A 10 -15.188 -9.973 -13.238 1.00 42.35 H new ATOM 0 HA ALA A 10 -17.902 -10.360 -12.150 1.00 31.11 H new ATOM 0 HB1 ALA A 10 -18.092 -12.041 -13.953 1.00 21.23 H new ATOM 0 HB2 ALA A 10 -17.679 -10.432 -14.591 1.00 21.23 H new ATOM 0 HB3 ALA A 10 -16.421 -11.683 -14.451 1.00 21.23 H new ATOM 158 N ARG A 11 -17.443 -12.354 -10.783 1.00 61.11 N ATOM 159 CA ARG A 11 -17.154 -13.462 -9.881 1.00 24.23 C ATOM 160 C ARG A 11 -17.944 -14.706 -10.277 1.00 21.23 C ATOM 161 O ARG A 11 -19.141 -14.805 -10.008 1.00 74.33 O ATOM 162 CB ARG A 11 -17.484 -13.074 -8.439 1.00 1.13 C ATOM 163 CG ARG A 11 -16.855 -13.990 -7.402 1.00 13.52 C ATOM 164 CD ARG A 11 -17.604 -13.934 -6.080 1.00 71.15 C ATOM 165 NE ARG A 11 -17.450 -12.641 -5.418 1.00 24.44 N ATOM 166 CZ ARG A 11 -18.073 -12.314 -4.290 1.00 44.45 C ATOM 167 NH1 ARG A 11 -18.887 -13.181 -3.704 1.00 15.23 N ATOM 168 NH2 ARG A 11 -17.881 -11.119 -3.748 1.00 41.34 N ATOM 0 H ARG A 11 -18.352 -11.916 -10.635 1.00 61.11 H new ATOM 0 HA ARG A 11 -16.090 -13.689 -9.955 1.00 24.23 H new ATOM 0 HB2 ARG A 11 -17.148 -12.053 -8.261 1.00 1.13 H new ATOM 0 HB3 ARG A 11 -18.566 -13.081 -8.309 1.00 1.13 H new ATOM 0 HG2 ARG A 11 -16.850 -15.014 -7.775 1.00 13.52 H new ATOM 0 HG3 ARG A 11 -15.815 -13.703 -7.245 1.00 13.52 H new ATOM 0 HD2 ARG A 11 -18.662 -14.128 -6.254 1.00 71.15 H new ATOM 0 HD3 ARG A 11 -17.239 -14.723 -5.423 1.00 71.15 H new ATOM 0 HE ARG A 11 -16.831 -11.952 -5.844 1.00 24.44 H new ATOM 0 HH11 ARG A 11 -19.036 -14.101 -4.119 1.00 15.23 H new ATOM 0 HH12 ARG A 11 -19.364 -12.928 -2.839 1.00 15.23 H new ATOM 0 HH21 ARG A 11 -17.255 -10.450 -4.197 1.00 41.34 H new ATOM 0 HH22 ARG A 11 -18.359 -10.869 -2.883 1.00 41.34 H new ATOM 182 N ILE A 12 -17.265 -15.653 -10.917 1.00 72.10 N ATOM 183 CA ILE A 12 -17.904 -16.890 -11.350 1.00 32.52 C ATOM 184 C ILE A 12 -17.484 -18.062 -10.470 1.00 3.42 C ATOM 185 O ILE A 12 -16.307 -18.422 -10.417 1.00 30.42 O ATOM 186 CB ILE A 12 -17.565 -17.216 -12.816 1.00 21.11 C ATOM 187 CG1 ILE A 12 -17.949 -16.045 -13.723 1.00 64.45 C ATOM 188 CG2 ILE A 12 -18.276 -18.488 -13.254 1.00 31.14 C ATOM 189 CD1 ILE A 12 -17.363 -16.141 -15.114 1.00 62.21 C ATOM 0 H ILE A 12 -16.273 -15.587 -11.147 1.00 72.10 H new ATOM 0 HA ILE A 12 -18.980 -16.738 -11.260 1.00 32.52 H new ATOM 0 HB ILE A 12 -16.490 -17.378 -12.898 1.00 21.11 H new ATOM 0 HG12 ILE A 12 -19.035 -15.995 -13.798 1.00 64.45 H new ATOM 0 HG13 ILE A 12 -17.618 -15.115 -13.261 1.00 64.45 H new ATOM 0 HG21 ILE A 12 -18.026 -18.705 -14.293 1.00 31.14 H new ATOM 0 HG22 ILE A 12 -17.958 -19.318 -12.623 1.00 31.14 H new ATOM 0 HG23 ILE A 12 -19.354 -18.353 -13.160 1.00 31.14 H new ATOM 0 HD11 ILE A 12 -17.677 -15.278 -15.701 1.00 62.21 H new ATOM 0 HD12 ILE A 12 -16.275 -16.160 -15.050 1.00 62.21 H new ATOM 0 HD13 ILE A 12 -17.714 -17.054 -15.595 1.00 62.21 H new ATOM 201 N TYR A 13 -18.452 -18.655 -9.782 1.00 22.24 N ATOM 202 CA TYR A 13 -18.183 -19.787 -8.902 1.00 43.22 C ATOM 203 C TYR A 13 -19.255 -20.862 -9.054 1.00 45.33 C ATOM 204 O TYR A 13 -20.407 -20.567 -9.372 1.00 61.15 O ATOM 205 CB TYR A 13 -18.112 -19.325 -7.447 1.00 15.24 C ATOM 206 CG TYR A 13 -19.346 -18.581 -6.987 1.00 43.31 C ATOM 207 CD1 TYR A 13 -19.541 -17.246 -7.319 1.00 2.13 C ATOM 208 CD2 TYR A 13 -20.317 -19.214 -6.220 1.00 52.52 C ATOM 209 CE1 TYR A 13 -20.666 -16.562 -6.901 1.00 63.03 C ATOM 210 CE2 TYR A 13 -21.446 -18.538 -5.798 1.00 24.12 C ATOM 211 CZ TYR A 13 -21.616 -17.213 -6.142 1.00 1.25 C ATOM 212 OH TYR A 13 -22.739 -16.537 -5.722 1.00 2.13 O ATOM 0 H TYR A 13 -19.431 -18.371 -9.816 1.00 22.24 H new ATOM 0 HA TYR A 13 -17.222 -20.214 -9.187 1.00 43.22 H new ATOM 0 HB2 TYR A 13 -17.961 -20.193 -6.806 1.00 15.24 H new ATOM 0 HB3 TYR A 13 -17.242 -18.681 -7.321 1.00 15.24 H new ATOM 0 HD1 TYR A 13 -18.800 -16.734 -7.915 1.00 2.13 H new ATOM 0 HD2 TYR A 13 -20.187 -20.251 -5.949 1.00 52.52 H new ATOM 0 HE1 TYR A 13 -20.801 -15.524 -7.167 1.00 63.03 H new ATOM 0 HE2 TYR A 13 -22.191 -19.044 -5.202 1.00 24.12 H new ATOM 0 HH TYR A 13 -23.307 -17.140 -5.199 1.00 2.13 H new ATOM 468 N TRP A 30 -23.751 -22.428 -12.706 1.00 53.23 N ATOM 469 CA TRP A 30 -22.723 -21.458 -12.345 1.00 43.35 C ATOM 470 C TRP A 30 -23.344 -20.215 -11.719 1.00 50.51 C ATOM 471 O TRP A 30 -24.491 -19.872 -12.002 1.00 15.35 O ATOM 472 CB TRP A 30 -21.905 -21.069 -13.578 1.00 4.04 C ATOM 473 CG TRP A 30 -20.936 -22.130 -14.007 1.00 75.05 C ATOM 474 CD1 TRP A 30 -21.124 -23.061 -14.989 1.00 4.41 C ATOM 475 CD2 TRP A 30 -19.632 -22.367 -13.468 1.00 5.15 C ATOM 476 NE1 TRP A 30 -20.013 -23.864 -15.092 1.00 2.22 N ATOM 477 CE2 TRP A 30 -19.083 -23.459 -14.170 1.00 72.23 C ATOM 478 CE3 TRP A 30 -18.873 -21.765 -12.461 1.00 43.41 C ATOM 479 CZ2 TRP A 30 -17.813 -23.958 -13.896 1.00 33.13 C ATOM 480 CZ3 TRP A 30 -17.612 -22.261 -12.190 1.00 32.30 C ATOM 481 CH2 TRP A 30 -17.092 -23.348 -12.905 1.00 32.11 C ATOM 0 HA TRP A 30 -22.063 -21.921 -11.611 1.00 43.35 H new ATOM 0 HB2 TRP A 30 -22.584 -20.853 -14.402 1.00 4.04 H new ATOM 0 HB3 TRP A 30 -21.357 -20.151 -13.367 1.00 4.04 H new ATOM 0 HD1 TRP A 30 -22.014 -23.153 -15.595 1.00 4.41 H new ATOM 0 HE1 TRP A 30 -19.899 -24.636 -15.748 1.00 2.22 H new ATOM 0 HE3 TRP A 30 -19.265 -20.927 -11.904 1.00 43.41 H new ATOM 0 HZ2 TRP A 30 -17.411 -24.796 -14.445 1.00 33.13 H new ATOM 0 HZ3 TRP A 30 -17.017 -21.803 -11.414 1.00 32.30 H new ATOM 0 HH2 TRP A 30 -16.103 -23.712 -12.670 1.00 32.11 H new ATOM 492 N LYS A 31 -22.578 -19.542 -10.865 1.00 61.23 N ATOM 493 CA LYS A 31 -23.052 -18.335 -10.199 1.00 14.01 C ATOM 494 C LYS A 31 -22.162 -17.143 -10.536 1.00 53.41 C ATOM 495 O LYS A 31 -20.975 -17.127 -10.206 1.00 24.53 O ATOM 496 CB LYS A 31 -23.089 -18.545 -8.684 1.00 5.12 C ATOM 497 CG LYS A 31 -23.824 -19.806 -8.263 1.00 65.35 C ATOM 498 CD LYS A 31 -25.255 -19.814 -8.772 1.00 11.14 C ATOM 499 CE LYS A 31 -26.100 -20.849 -8.043 1.00 72.45 C ATOM 500 NZ LYS A 31 -26.019 -22.187 -8.693 1.00 2.35 N ATOM 0 H LYS A 31 -21.626 -19.813 -10.618 1.00 61.23 H new ATOM 0 HA LYS A 31 -24.061 -18.125 -10.555 1.00 14.01 H new ATOM 0 HB2 LYS A 31 -22.067 -18.587 -8.306 1.00 5.12 H new ATOM 0 HB3 LYS A 31 -23.566 -17.683 -8.218 1.00 5.12 H new ATOM 0 HG2 LYS A 31 -23.296 -20.680 -8.645 1.00 65.35 H new ATOM 0 HG3 LYS A 31 -23.823 -19.883 -7.176 1.00 65.35 H new ATOM 0 HD2 LYS A 31 -25.695 -18.825 -8.640 1.00 11.14 H new ATOM 0 HD3 LYS A 31 -25.261 -20.026 -9.841 1.00 11.14 H new ATOM 0 HE2 LYS A 31 -25.766 -20.927 -7.008 1.00 72.45 H new ATOM 0 HE3 LYS A 31 -27.139 -20.519 -8.019 1.00 72.45 H new ATOM 0 HZ1 LYS A 31 -26.608 -22.864 -8.168 1.00 2.35 H new ATOM 0 HZ2 LYS A 31 -26.361 -22.118 -9.673 1.00 2.35 H new ATOM 0 HZ3 LYS A 31 -25.032 -22.514 -8.693 1.00 2.35 H new ATOM 514 N LEU A 32 -22.742 -16.144 -11.193 1.00 23.11 N ATOM 515 CA LEU A 32 -22.001 -14.946 -11.573 1.00 12.24 C ATOM 516 C LEU A 32 -22.336 -13.782 -10.645 1.00 43.12 C ATOM 517 O LEU A 32 -23.506 -13.499 -10.386 1.00 43.43 O ATOM 518 CB LEU A 32 -22.315 -14.566 -13.020 1.00 62.23 C ATOM 519 CG LEU A 32 -21.560 -13.358 -13.576 1.00 1.22 C ATOM 520 CD1 LEU A 32 -22.236 -12.064 -13.151 1.00 13.02 C ATOM 521 CD2 LEU A 32 -20.109 -13.380 -13.119 1.00 21.24 C ATOM 0 H LEU A 32 -23.723 -16.140 -11.473 1.00 23.11 H new ATOM 0 HA LEU A 32 -20.937 -15.163 -11.484 1.00 12.24 H new ATOM 0 HB2 LEU A 32 -22.102 -15.426 -13.655 1.00 62.23 H new ATOM 0 HB3 LEU A 32 -23.384 -14.369 -13.099 1.00 62.23 H new ATOM 0 HG LEU A 32 -21.578 -13.412 -14.665 1.00 1.22 H new ATOM 0 HD11 LEU A 32 -21.685 -11.215 -13.556 1.00 13.02 H new ATOM 0 HD12 LEU A 32 -23.258 -12.046 -13.529 1.00 13.02 H new ATOM 0 HD13 LEU A 32 -22.250 -12.001 -12.063 1.00 13.02 H new ATOM 0 HD21 LEU A 32 -19.587 -12.513 -13.524 1.00 21.24 H new ATOM 0 HD22 LEU A 32 -20.070 -13.351 -12.030 1.00 21.24 H new ATOM 0 HD23 LEU A 32 -19.629 -14.292 -13.475 1.00 21.24 H new ATOM 533 N GLU A 33 -21.302 -13.110 -10.149 1.00 65.23 N ATOM 534 CA GLU A 33 -21.487 -11.977 -9.252 1.00 55.31 C ATOM 535 C GLU A 33 -20.516 -10.849 -9.591 1.00 24.45 C ATOM 536 O GLU A 33 -19.328 -10.924 -9.278 1.00 12.12 O ATOM 537 CB GLU A 33 -21.293 -12.411 -7.797 1.00 21.40 C ATOM 538 CG GLU A 33 -22.576 -12.862 -7.120 1.00 35.31 C ATOM 539 CD GLU A 33 -23.368 -11.705 -6.541 1.00 2.12 C ATOM 540 OE1 GLU A 33 -23.466 -10.658 -7.216 1.00 13.43 O ATOM 541 OE2 GLU A 33 -23.887 -11.846 -5.415 1.00 55.31 O ATOM 0 H GLU A 33 -20.328 -13.331 -10.354 1.00 65.23 H new ATOM 0 HA GLU A 33 -22.505 -11.608 -9.381 1.00 55.31 H new ATOM 0 HB2 GLU A 33 -20.569 -13.225 -7.763 1.00 21.40 H new ATOM 0 HB3 GLU A 33 -20.867 -11.581 -7.233 1.00 21.40 H new ATOM 0 HG2 GLU A 33 -23.195 -13.396 -7.841 1.00 35.31 H new ATOM 0 HG3 GLU A 33 -22.334 -13.566 -6.324 1.00 35.31 H new ATOM 548 N PHE A 34 -21.031 -9.806 -10.234 1.00 4.21 N ATOM 549 CA PHE A 34 -20.210 -8.664 -10.618 1.00 42.33 C ATOM 550 C PHE A 34 -20.096 -7.666 -9.470 1.00 30.14 C ATOM 551 O PHE A 34 -21.074 -7.387 -8.777 1.00 23.32 O ATOM 552 CB PHE A 34 -20.800 -7.976 -11.851 1.00 73.11 C ATOM 553 CG PHE A 34 -22.181 -7.428 -11.628 1.00 5.25 C ATOM 554 CD1 PHE A 34 -22.359 -6.171 -11.074 1.00 34.31 C ATOM 555 CD2 PHE A 34 -23.299 -8.170 -11.972 1.00 62.10 C ATOM 556 CE1 PHE A 34 -23.629 -5.664 -10.867 1.00 14.41 C ATOM 557 CE2 PHE A 34 -24.571 -7.668 -11.769 1.00 1.44 C ATOM 558 CZ PHE A 34 -24.736 -6.414 -11.215 1.00 1.35 C ATOM 0 H PHE A 34 -22.013 -9.728 -10.500 1.00 4.21 H new ATOM 0 HA PHE A 34 -19.212 -9.030 -10.858 1.00 42.33 H new ATOM 0 HB2 PHE A 34 -20.140 -7.163 -12.155 1.00 73.11 H new ATOM 0 HB3 PHE A 34 -20.829 -8.688 -12.676 1.00 73.11 H new ATOM 0 HD1 PHE A 34 -21.497 -5.581 -10.801 1.00 34.31 H new ATOM 0 HD2 PHE A 34 -23.176 -9.152 -12.404 1.00 62.10 H new ATOM 0 HE1 PHE A 34 -23.755 -4.683 -10.434 1.00 14.41 H new ATOM 0 HE2 PHE A 34 -25.434 -8.256 -12.043 1.00 1.44 H new ATOM 0 HZ PHE A 34 -25.729 -6.020 -11.054 1.00 1.35 H new ATOM 568 N GLU A 35 -18.895 -7.131 -9.276 1.00 53.20 N ATOM 569 CA GLU A 35 -18.653 -6.164 -8.211 1.00 25.53 C ATOM 570 C GLU A 35 -19.284 -4.816 -8.545 1.00 71.34 C ATOM 571 O GLU A 35 -19.581 -4.511 -9.701 1.00 24.31 O ATOM 572 CB GLU A 35 -17.151 -5.993 -7.979 1.00 43.32 C ATOM 573 CG GLU A 35 -16.579 -6.955 -6.950 1.00 72.02 C ATOM 574 CD GLU A 35 -15.109 -6.709 -6.674 1.00 52.21 C ATOM 575 OE1 GLU A 35 -14.791 -5.707 -5.999 1.00 75.32 O ATOM 576 OE2 GLU A 35 -14.275 -7.517 -7.134 1.00 1.41 O ATOM 0 H GLU A 35 -18.075 -7.350 -9.842 1.00 53.20 H new ATOM 0 HA GLU A 35 -19.113 -6.544 -7.299 1.00 25.53 H new ATOM 0 HB2 GLU A 35 -16.628 -6.133 -8.925 1.00 43.32 H new ATOM 0 HB3 GLU A 35 -16.956 -4.971 -7.655 1.00 43.32 H new ATOM 0 HG2 GLU A 35 -17.140 -6.862 -6.020 1.00 72.02 H new ATOM 0 HG3 GLU A 35 -16.712 -7.978 -7.301 1.00 72.02 H new ATOM 946 N LEU A 60 -26.252 -13.064 -10.175 1.00 5.41 N ATOM 947 CA LEU A 60 -26.564 -13.631 -11.483 1.00 54.30 C ATOM 948 C LEU A 60 -26.246 -15.121 -11.520 1.00 61.41 C ATOM 949 O LEU A 60 -25.426 -15.611 -10.744 1.00 25.42 O ATOM 950 CB LEU A 60 -25.779 -12.902 -12.575 1.00 24.33 C ATOM 951 CG LEU A 60 -26.603 -12.040 -13.532 1.00 53.32 C ATOM 952 CD1 LEU A 60 -25.694 -11.152 -14.368 1.00 21.52 C ATOM 953 CD2 LEU A 60 -27.468 -12.914 -14.427 1.00 72.32 C ATOM 0 HA LEU A 60 -27.631 -13.503 -11.663 1.00 54.30 H new ATOM 0 HB2 LEU A 60 -25.034 -12.267 -12.096 1.00 24.33 H new ATOM 0 HB3 LEU A 60 -25.237 -13.644 -13.161 1.00 24.33 H new ATOM 0 HG LEU A 60 -27.258 -11.400 -12.941 1.00 53.32 H new ATOM 0 HD11 LEU A 60 -26.298 -10.546 -15.043 1.00 21.52 H new ATOM 0 HD12 LEU A 60 -25.119 -10.500 -13.711 1.00 21.52 H new ATOM 0 HD13 LEU A 60 -25.013 -11.773 -14.950 1.00 21.52 H new ATOM 0 HD21 LEU A 60 -28.047 -12.283 -15.101 1.00 72.32 H new ATOM 0 HD22 LEU A 60 -26.832 -13.580 -15.010 1.00 72.32 H new ATOM 0 HD23 LEU A 60 -28.146 -13.506 -13.812 1.00 72.32 H new ATOM 965 N SER A 61 -26.900 -15.838 -12.429 1.00 53.13 N ATOM 966 CA SER A 61 -26.688 -17.274 -12.568 1.00 60.52 C ATOM 967 C SER A 61 -26.633 -17.676 -14.039 1.00 73.31 C ATOM 968 O SER A 61 -27.382 -17.153 -14.865 1.00 65.05 O ATOM 969 CB SER A 61 -27.802 -18.045 -11.858 1.00 21.42 C ATOM 970 OG SER A 61 -28.836 -17.173 -11.433 1.00 44.31 O ATOM 0 H SER A 61 -27.581 -15.448 -13.080 1.00 53.13 H new ATOM 0 HA SER A 61 -25.732 -17.522 -12.106 1.00 60.52 H new ATOM 0 HB2 SER A 61 -28.212 -18.799 -12.530 1.00 21.42 H new ATOM 0 HB3 SER A 61 -27.391 -18.574 -10.998 1.00 21.42 H new ATOM 0 HG SER A 61 -29.536 -17.691 -10.984 1.00 44.31 H new ATOM 976 N PHE A 62 -25.741 -18.608 -14.358 1.00 73.41 N ATOM 977 CA PHE A 62 -25.588 -19.080 -15.729 1.00 44.21 C ATOM 978 C PHE A 62 -25.567 -20.605 -15.779 1.00 73.42 C ATOM 979 O PHE A 62 -25.033 -21.262 -14.885 1.00 51.15 O ATOM 980 CB PHE A 62 -24.301 -18.522 -16.341 1.00 52.11 C ATOM 981 CG PHE A 62 -24.367 -17.051 -16.636 1.00 2.30 C ATOM 982 CD1 PHE A 62 -24.904 -16.593 -17.829 1.00 3.11 C ATOM 983 CD2 PHE A 62 -23.891 -16.125 -15.721 1.00 75.34 C ATOM 984 CE1 PHE A 62 -24.966 -15.240 -18.103 1.00 62.15 C ATOM 985 CE2 PHE A 62 -23.952 -14.770 -15.990 1.00 30.24 C ATOM 986 CZ PHE A 62 -24.489 -14.327 -17.184 1.00 21.23 C ATOM 0 H PHE A 62 -25.114 -19.051 -13.686 1.00 73.41 H new ATOM 0 HA PHE A 62 -26.442 -18.726 -16.307 1.00 44.21 H new ATOM 0 HB2 PHE A 62 -23.472 -18.711 -15.659 1.00 52.11 H new ATOM 0 HB3 PHE A 62 -24.084 -19.060 -17.264 1.00 52.11 H new ATOM 0 HD1 PHE A 62 -25.278 -17.302 -18.553 1.00 3.11 H new ATOM 0 HD2 PHE A 62 -23.468 -16.466 -14.788 1.00 75.34 H new ATOM 0 HE1 PHE A 62 -25.388 -14.897 -19.036 1.00 62.15 H new ATOM 0 HE2 PHE A 62 -23.580 -14.058 -15.268 1.00 30.24 H new ATOM 0 HZ PHE A 62 -24.535 -13.269 -17.397 1.00 21.23 H new ATOM 996 N THR A 63 -26.157 -21.163 -16.833 1.00 24.05 N ATOM 997 CA THR A 63 -26.209 -22.610 -17.001 1.00 61.42 C ATOM 998 C THR A 63 -24.835 -23.175 -17.342 1.00 11.15 C ATOM 999 O THR A 63 -24.381 -24.145 -16.734 1.00 33.12 O ATOM 1000 CB THR A 63 -27.205 -23.011 -18.106 1.00 20.14 C ATOM 1001 OG1 THR A 63 -28.328 -22.124 -18.098 1.00 75.02 O ATOM 1002 CG2 THR A 63 -27.682 -24.443 -17.911 1.00 44.51 C ATOM 0 H THR A 63 -26.605 -20.635 -17.582 1.00 24.05 H new ATOM 0 HA THR A 63 -26.543 -23.026 -16.051 1.00 61.42 H new ATOM 0 HB THR A 63 -26.695 -22.942 -19.067 1.00 20.14 H new ATOM 0 HG1 THR A 63 -28.956 -22.384 -18.804 1.00 75.02 H new ATOM 0 HG21 THR A 63 -28.384 -24.704 -18.703 1.00 44.51 H new ATOM 0 HG22 THR A 63 -26.828 -25.119 -17.947 1.00 44.51 H new ATOM 0 HG23 THR A 63 -28.176 -24.533 -16.944 1.00 44.51 H new ATOM 1010 N THR A 64 -24.173 -22.561 -18.319 1.00 14.32 N ATOM 1011 CA THR A 64 -22.850 -23.002 -18.740 1.00 64.43 C ATOM 1012 C THR A 64 -21.808 -21.915 -18.508 1.00 40.03 C ATOM 1013 O THR A 64 -22.134 -20.814 -18.066 1.00 12.03 O ATOM 1014 CB THR A 64 -22.838 -23.400 -20.229 1.00 34.20 C ATOM 1015 OG1 THR A 64 -23.892 -22.723 -20.924 1.00 41.11 O ATOM 1016 CG2 THR A 64 -23.003 -24.903 -20.389 1.00 21.30 C ATOM 0 H THR A 64 -24.533 -21.757 -18.833 1.00 14.32 H new ATOM 0 HA THR A 64 -22.601 -23.874 -18.136 1.00 64.43 H new ATOM 0 HB THR A 64 -21.877 -23.109 -20.653 1.00 34.20 H new ATOM 0 HG1 THR A 64 -23.877 -22.979 -21.870 1.00 41.11 H new ATOM 0 HG21 THR A 64 -22.991 -25.160 -21.448 1.00 21.30 H new ATOM 0 HG22 THR A 64 -22.185 -25.415 -19.883 1.00 21.30 H new ATOM 0 HG23 THR A 64 -23.951 -25.214 -19.951 1.00 21.30 H new ATOM 1024 N ARG A 65 -20.552 -22.230 -18.811 1.00 61.42 N ATOM 1025 CA ARG A 65 -19.462 -21.280 -18.635 1.00 12.21 C ATOM 1026 C ARG A 65 -19.456 -20.245 -19.756 1.00 22.32 C ATOM 1027 O ARG A 65 -19.364 -19.044 -19.505 1.00 54.11 O ATOM 1028 CB ARG A 65 -18.120 -22.012 -18.595 1.00 24.22 C ATOM 1029 CG ARG A 65 -18.178 -23.351 -17.878 1.00 44.52 C ATOM 1030 CD ARG A 65 -18.192 -24.510 -18.864 1.00 11.03 C ATOM 1031 NE ARG A 65 -18.989 -25.633 -18.376 1.00 1.40 N ATOM 1032 CZ ARG A 65 -18.547 -26.515 -17.487 1.00 61.44 C ATOM 1033 NH1 ARG A 65 -17.322 -26.407 -16.991 1.00 54.40 N ATOM 1034 NH2 ARG A 65 -19.331 -27.510 -17.092 1.00 24.21 N ATOM 0 H ARG A 65 -20.265 -23.137 -19.180 1.00 61.42 H new ATOM 0 HA ARG A 65 -19.614 -20.763 -17.688 1.00 12.21 H new ATOM 0 HB2 ARG A 65 -17.772 -22.171 -19.616 1.00 24.22 H new ATOM 0 HB3 ARG A 65 -17.384 -21.377 -18.102 1.00 24.22 H new ATOM 0 HG2 ARG A 65 -17.319 -23.447 -17.214 1.00 44.52 H new ATOM 0 HG3 ARG A 65 -19.070 -23.392 -17.253 1.00 44.52 H new ATOM 0 HD2 ARG A 65 -18.592 -24.169 -19.819 1.00 11.03 H new ATOM 0 HD3 ARG A 65 -17.170 -24.843 -19.047 1.00 11.03 H new ATOM 0 HE ARG A 65 -19.936 -25.746 -18.738 1.00 1.40 H new ATOM 0 HH11 ARG A 65 -16.715 -25.644 -17.292 1.00 54.40 H new ATOM 0 HH12 ARG A 65 -16.986 -27.087 -16.308 1.00 54.40 H new ATOM 0 HH21 ARG A 65 -20.274 -27.598 -17.471 1.00 24.21 H new ATOM 0 HH22 ARG A 65 -18.991 -28.187 -16.409 1.00 24.21 H new ATOM 1048 N GLU A 66 -19.554 -20.721 -20.994 1.00 13.03 N ATOM 1049 CA GLU A 66 -19.559 -19.836 -22.153 1.00 42.25 C ATOM 1050 C GLU A 66 -20.573 -18.710 -21.975 1.00 20.51 C ATOM 1051 O GLU A 66 -20.391 -17.608 -22.492 1.00 11.22 O ATOM 1052 CB GLU A 66 -19.876 -20.627 -23.425 1.00 5.43 C ATOM 1053 CG GLU A 66 -19.309 -20.000 -24.687 1.00 60.44 C ATOM 1054 CD GLU A 66 -17.795 -20.067 -24.745 1.00 33.22 C ATOM 1055 OE1 GLU A 66 -17.255 -21.188 -24.856 1.00 55.15 O ATOM 1056 OE2 GLU A 66 -17.152 -19.000 -24.677 1.00 52.44 O ATOM 0 H GLU A 66 -19.631 -21.713 -21.219 1.00 13.03 H new ATOM 0 HA GLU A 66 -18.566 -19.395 -22.245 1.00 42.25 H new ATOM 0 HB2 GLU A 66 -19.481 -21.638 -23.322 1.00 5.43 H new ATOM 0 HB3 GLU A 66 -20.957 -20.716 -23.528 1.00 5.43 H new ATOM 0 HG2 GLU A 66 -19.725 -20.507 -25.558 1.00 60.44 H new ATOM 0 HG3 GLU A 66 -19.625 -18.958 -24.744 1.00 60.44 H new ATOM 1063 N LEU A 67 -21.643 -18.997 -21.240 1.00 62.25 N ATOM 1064 CA LEU A 67 -22.688 -18.010 -20.994 1.00 33.13 C ATOM 1065 C LEU A 67 -22.269 -17.036 -19.898 1.00 74.03 C ATOM 1066 O LEU A 67 -22.556 -15.841 -19.973 1.00 42.04 O ATOM 1067 CB LEU A 67 -23.992 -18.707 -20.601 1.00 41.12 C ATOM 1068 CG LEU A 67 -25.266 -18.161 -21.248 1.00 44.23 C ATOM 1069 CD1 LEU A 67 -25.180 -18.262 -22.763 1.00 63.22 C ATOM 1070 CD2 LEU A 67 -26.488 -18.906 -20.731 1.00 2.21 C ATOM 0 H LEU A 67 -21.809 -19.904 -20.805 1.00 62.25 H new ATOM 0 HA LEU A 67 -22.846 -17.447 -21.914 1.00 33.13 H new ATOM 0 HB2 LEU A 67 -23.905 -19.764 -20.852 1.00 41.12 H new ATOM 0 HB3 LEU A 67 -24.102 -18.644 -19.518 1.00 41.12 H new ATOM 0 HG LEU A 67 -25.366 -17.109 -20.979 1.00 44.23 H new ATOM 0 HD11 LEU A 67 -26.095 -17.869 -23.206 1.00 63.22 H new ATOM 0 HD12 LEU A 67 -24.327 -17.684 -23.118 1.00 63.22 H new ATOM 0 HD13 LEU A 67 -25.056 -19.306 -23.052 1.00 63.22 H new ATOM 0 HD21 LEU A 67 -27.385 -18.504 -21.202 1.00 2.21 H new ATOM 0 HD22 LEU A 67 -26.396 -19.966 -20.970 1.00 2.21 H new ATOM 0 HD23 LEU A 67 -26.559 -18.782 -19.650 1.00 2.21 H new ATOM 1082 N ALA A 68 -21.587 -17.554 -18.882 1.00 14.42 N ATOM 1083 CA ALA A 68 -21.125 -16.728 -17.772 1.00 44.22 C ATOM 1084 C ALA A 68 -19.975 -15.824 -18.203 1.00 24.40 C ATOM 1085 O ALA A 68 -20.105 -14.600 -18.209 1.00 71.22 O ATOM 1086 CB ALA A 68 -20.699 -17.605 -16.604 1.00 34.42 C ATOM 0 H ALA A 68 -21.342 -18.541 -18.804 1.00 14.42 H new ATOM 0 HA ALA A 68 -21.952 -16.094 -17.454 1.00 44.22 H new ATOM 0 HB1 ALA A 68 -20.356 -16.976 -15.783 1.00 34.42 H new ATOM 0 HB2 ALA A 68 -21.546 -18.206 -16.272 1.00 34.42 H new ATOM 0 HB3 ALA A 68 -19.889 -18.263 -16.919 1.00 34.42 H new ATOM 1092 N ILE A 69 -18.850 -16.434 -18.562 1.00 64.21 N ATOM 1093 CA ILE A 69 -17.678 -15.684 -18.994 1.00 54.00 C ATOM 1094 C ILE A 69 -18.039 -14.682 -20.086 1.00 21.31 C ATOM 1095 O ILE A 69 -17.434 -13.615 -20.188 1.00 32.23 O ATOM 1096 CB ILE A 69 -16.572 -16.618 -19.516 1.00 45.23 C ATOM 1097 CG1 ILE A 69 -16.079 -17.536 -18.396 1.00 1.23 C ATOM 1098 CG2 ILE A 69 -15.420 -15.807 -20.089 1.00 43.32 C ATOM 1099 CD1 ILE A 69 -16.688 -18.920 -18.436 1.00 41.10 C ATOM 0 H ILE A 69 -18.726 -17.446 -18.562 1.00 64.21 H new ATOM 0 HA ILE A 69 -17.307 -15.149 -18.120 1.00 54.00 H new ATOM 0 HB ILE A 69 -16.986 -17.237 -20.312 1.00 45.23 H new ATOM 0 HG12 ILE A 69 -14.994 -17.623 -18.460 1.00 1.23 H new ATOM 0 HG13 ILE A 69 -16.306 -17.076 -17.434 1.00 1.23 H new ATOM 0 HG21 ILE A 69 -14.646 -16.482 -20.454 1.00 43.32 H new ATOM 0 HG22 ILE A 69 -15.782 -15.192 -20.912 1.00 43.32 H new ATOM 0 HG23 ILE A 69 -15.005 -15.165 -19.312 1.00 43.32 H new ATOM 0 HD11 ILE A 69 -16.293 -19.515 -17.613 1.00 41.10 H new ATOM 0 HD12 ILE A 69 -17.771 -18.844 -18.341 1.00 41.10 H new ATOM 0 HD13 ILE A 69 -16.440 -19.400 -19.383 1.00 41.10 H new ATOM 1111 N ALA A 70 -19.031 -15.033 -20.898 1.00 15.41 N ATOM 1112 CA ALA A 70 -19.476 -14.162 -21.980 1.00 51.31 C ATOM 1113 C ALA A 70 -19.759 -12.753 -21.470 1.00 44.01 C ATOM 1114 O ALA A 70 -19.321 -11.768 -22.064 1.00 74.13 O ATOM 1115 CB ALA A 70 -20.713 -14.743 -22.649 1.00 0.22 C ATOM 0 H ALA A 70 -19.541 -15.913 -20.827 1.00 15.41 H new ATOM 0 HA ALA A 70 -18.674 -14.098 -22.716 1.00 51.31 H new ATOM 0 HB1 ALA A 70 -21.035 -14.083 -23.455 1.00 0.22 H new ATOM 0 HB2 ALA A 70 -20.478 -15.726 -23.057 1.00 0.22 H new ATOM 0 HB3 ALA A 70 -21.514 -14.837 -21.915 1.00 0.22 H new ATOM 1121 N TYR A 71 -20.494 -12.665 -20.367 1.00 64.32 N ATOM 1122 CA TYR A 71 -20.839 -11.376 -19.779 1.00 73.11 C ATOM 1123 C TYR A 71 -19.593 -10.520 -19.576 1.00 1.23 C ATOM 1124 O TYR A 71 -19.550 -9.359 -19.982 1.00 63.33 O ATOM 1125 CB TYR A 71 -21.558 -11.577 -18.444 1.00 72.35 C ATOM 1126 CG TYR A 71 -22.038 -10.288 -17.816 1.00 21.45 C ATOM 1127 CD1 TYR A 71 -23.160 -9.631 -18.303 1.00 54.12 C ATOM 1128 CD2 TYR A 71 -21.370 -9.730 -16.733 1.00 51.43 C ATOM 1129 CE1 TYR A 71 -23.602 -8.453 -17.732 1.00 74.00 C ATOM 1130 CE2 TYR A 71 -21.805 -8.552 -16.155 1.00 24.42 C ATOM 1131 CZ TYR A 71 -22.921 -7.917 -16.658 1.00 21.44 C ATOM 1132 OH TYR A 71 -23.358 -6.746 -16.086 1.00 14.53 O ATOM 0 H TYR A 71 -20.862 -13.471 -19.862 1.00 64.32 H new ATOM 0 HA TYR A 71 -21.506 -10.857 -20.468 1.00 73.11 H new ATOM 0 HB2 TYR A 71 -22.412 -12.237 -18.596 1.00 72.35 H new ATOM 0 HB3 TYR A 71 -20.885 -12.081 -17.750 1.00 72.35 H new ATOM 0 HD1 TYR A 71 -23.696 -10.048 -19.143 1.00 54.12 H new ATOM 0 HD2 TYR A 71 -20.496 -10.225 -16.336 1.00 51.43 H new ATOM 0 HE1 TYR A 71 -24.476 -7.954 -18.124 1.00 74.00 H new ATOM 0 HE2 TYR A 71 -21.274 -8.131 -15.314 1.00 24.42 H new ATOM 0 HH TYR A 71 -22.768 -6.506 -15.341 1.00 14.53 H new ATOM 1142 N ALA A 72 -18.581 -11.102 -18.941 1.00 45.34 N ATOM 1143 CA ALA A 72 -17.332 -10.395 -18.684 1.00 50.44 C ATOM 1144 C ALA A 72 -16.632 -10.025 -19.988 1.00 61.15 C ATOM 1145 O ALA A 72 -16.326 -8.858 -20.231 1.00 22.21 O ATOM 1146 CB ALA A 72 -16.416 -11.242 -17.813 1.00 53.22 C ATOM 0 H ALA A 72 -18.602 -12.061 -18.595 1.00 45.34 H new ATOM 0 HA ALA A 72 -17.568 -9.472 -18.154 1.00 50.44 H new ATOM 0 HB1 ALA A 72 -15.487 -10.702 -17.629 1.00 53.22 H new ATOM 0 HB2 ALA A 72 -16.908 -11.451 -16.863 1.00 53.22 H new ATOM 0 HB3 ALA A 72 -16.195 -12.180 -18.322 1.00 53.22 H new ATOM 1152 N VAL A 73 -16.381 -11.028 -20.824 1.00 51.24 N ATOM 1153 CA VAL A 73 -15.717 -10.808 -22.104 1.00 75.31 C ATOM 1154 C VAL A 73 -16.404 -9.700 -22.896 1.00 32.34 C ATOM 1155 O VAL A 73 -15.763 -8.984 -23.664 1.00 74.31 O ATOM 1156 CB VAL A 73 -15.696 -12.092 -22.953 1.00 42.24 C ATOM 1157 CG1 VAL A 73 -15.034 -11.832 -24.298 1.00 24.23 C ATOM 1158 CG2 VAL A 73 -14.986 -13.212 -22.208 1.00 10.44 C ATOM 0 H VAL A 73 -16.627 -12.000 -20.638 1.00 51.24 H new ATOM 0 HA VAL A 73 -14.692 -10.511 -21.882 1.00 75.31 H new ATOM 0 HB VAL A 73 -16.725 -12.403 -23.135 1.00 42.24 H new ATOM 0 HG11 VAL A 73 -15.028 -12.751 -24.884 1.00 24.23 H new ATOM 0 HG12 VAL A 73 -15.590 -11.063 -24.834 1.00 24.23 H new ATOM 0 HG13 VAL A 73 -14.009 -11.496 -24.140 1.00 24.23 H new ATOM 0 HG21 VAL A 73 -14.981 -14.112 -22.823 1.00 10.44 H new ATOM 0 HG22 VAL A 73 -13.960 -12.913 -21.993 1.00 10.44 H new ATOM 0 HG23 VAL A 73 -15.508 -13.415 -21.273 1.00 10.44 H new ATOM 1168 N ALA A 74 -17.712 -9.564 -22.702 1.00 62.44 N ATOM 1169 CA ALA A 74 -18.486 -8.543 -23.395 1.00 41.44 C ATOM 1170 C ALA A 74 -17.854 -7.165 -23.223 1.00 52.11 C ATOM 1171 O ALA A 74 -17.881 -6.341 -24.137 1.00 55.40 O ATOM 1172 CB ALA A 74 -19.921 -8.534 -22.892 1.00 53.01 C ATOM 0 H ALA A 74 -18.258 -10.149 -22.070 1.00 62.44 H new ATOM 0 HA ALA A 74 -18.488 -8.784 -24.458 1.00 41.44 H new ATOM 0 HB1 ALA A 74 -20.487 -7.766 -23.419 1.00 53.01 H new ATOM 0 HB2 ALA A 74 -20.376 -9.508 -23.073 1.00 53.01 H new ATOM 0 HB3 ALA A 74 -19.930 -8.322 -21.823 1.00 53.01 H new ATOM 1178 N HIS A 75 -17.287 -6.922 -22.047 1.00 3.43 N ATOM 1179 CA HIS A 75 -16.648 -5.644 -21.754 1.00 64.03 C ATOM 1180 C HIS A 75 -15.218 -5.850 -21.264 1.00 21.43 C ATOM 1181 O HIS A 75 -14.674 -5.018 -20.537 1.00 73.24 O ATOM 1182 CB HIS A 75 -17.453 -4.875 -20.706 1.00 71.34 C ATOM 1183 CG HIS A 75 -17.236 -3.394 -20.753 1.00 1.24 C ATOM 1184 ND1 HIS A 75 -16.703 -2.679 -19.701 1.00 14.43 N ATOM 1185 CD2 HIS A 75 -17.482 -2.493 -21.732 1.00 45.41 C ATOM 1186 CE1 HIS A 75 -16.632 -1.402 -20.032 1.00 12.14 C ATOM 1187 NE2 HIS A 75 -17.097 -1.262 -21.259 1.00 21.43 N ATOM 0 H HIS A 75 -17.257 -7.594 -21.280 1.00 3.43 H new ATOM 0 HA HIS A 75 -16.617 -5.063 -22.676 1.00 64.03 H new ATOM 0 HB2 HIS A 75 -18.513 -5.083 -20.849 1.00 71.34 H new ATOM 0 HB3 HIS A 75 -17.187 -5.242 -19.715 1.00 71.34 H new ATOM 0 HD2 HIS A 75 -17.903 -2.703 -22.704 1.00 45.41 H new ATOM 0 HE1 HIS A 75 -16.257 -0.607 -19.405 1.00 12.14 H new ATOM 0 HE2 HIS A 75 -17.160 -0.383 -21.773 1.00 21.43 H new ATOM 1195 N LYS A 76 -14.616 -6.964 -21.664 1.00 4.22 N ATOM 1196 CA LYS A 76 -13.249 -7.280 -21.266 1.00 25.13 C ATOM 1197 C LYS A 76 -13.091 -7.201 -19.751 1.00 14.15 C ATOM 1198 O LYS A 76 -12.125 -6.627 -19.248 1.00 50.32 O ATOM 1199 CB LYS A 76 -12.265 -6.324 -21.943 1.00 44.42 C ATOM 1200 CG LYS A 76 -10.845 -6.861 -22.010 1.00 61.14 C ATOM 1201 CD LYS A 76 -10.603 -7.640 -23.292 1.00 61.51 C ATOM 1202 CE LYS A 76 -10.925 -9.116 -23.116 1.00 72.44 C ATOM 1203 NZ LYS A 76 -10.260 -9.956 -24.150 1.00 70.50 N ATOM 0 H LYS A 76 -15.053 -7.664 -22.264 1.00 4.22 H new ATOM 0 HA LYS A 76 -13.031 -8.300 -21.583 1.00 25.13 H new ATOM 0 HB2 LYS A 76 -12.613 -6.113 -22.954 1.00 44.42 H new ATOM 0 HB3 LYS A 76 -12.262 -5.377 -21.403 1.00 44.42 H new ATOM 0 HG2 LYS A 76 -10.139 -6.033 -21.947 1.00 61.14 H new ATOM 0 HG3 LYS A 76 -10.658 -7.505 -21.151 1.00 61.14 H new ATOM 0 HD2 LYS A 76 -11.216 -7.226 -24.092 1.00 61.51 H new ATOM 0 HD3 LYS A 76 -9.563 -7.527 -23.597 1.00 61.51 H new ATOM 0 HE2 LYS A 76 -10.608 -9.441 -22.125 1.00 72.44 H new ATOM 0 HE3 LYS A 76 -12.004 -9.261 -23.169 1.00 72.44 H new ATOM 0 HZ1 LYS A 76 -10.504 -10.955 -23.996 1.00 70.50 H new ATOM 0 HZ2 LYS A 76 -10.581 -9.663 -25.095 1.00 70.50 H new ATOM 0 HZ3 LYS A 76 -9.229 -9.838 -24.083 1.00 70.50 H new ATOM 1217 N ILE A 77 -14.045 -7.780 -19.030 1.00 13.21 N ATOM 1218 CA ILE A 77 -14.010 -7.776 -17.573 1.00 2.24 C ATOM 1219 C ILE A 77 -13.290 -9.009 -17.037 1.00 32.21 C ATOM 1220 O ILE A 77 -13.431 -10.106 -17.578 1.00 44.10 O ATOM 1221 CB ILE A 77 -15.427 -7.722 -16.975 1.00 21.40 C ATOM 1222 CG1 ILE A 77 -16.164 -6.474 -17.466 1.00 22.41 C ATOM 1223 CG2 ILE A 77 -15.363 -7.742 -15.455 1.00 63.32 C ATOM 1224 CD1 ILE A 77 -17.666 -6.558 -17.308 1.00 15.14 C ATOM 0 H ILE A 77 -14.852 -8.258 -19.431 1.00 13.21 H new ATOM 0 HA ILE A 77 -13.465 -6.881 -17.273 1.00 2.24 H new ATOM 0 HB ILE A 77 -15.979 -8.602 -17.307 1.00 21.40 H new ATOM 0 HG12 ILE A 77 -15.797 -5.606 -16.918 1.00 22.41 H new ATOM 0 HG13 ILE A 77 -15.926 -6.311 -18.517 1.00 22.41 H new ATOM 0 HG21 ILE A 77 -16.373 -7.703 -15.048 1.00 63.32 H new ATOM 0 HG22 ILE A 77 -14.873 -8.657 -15.123 1.00 63.32 H new ATOM 0 HG23 ILE A 77 -14.797 -6.880 -15.103 1.00 63.32 H new ATOM 0 HD11 ILE A 77 -18.123 -5.639 -17.676 1.00 15.14 H new ATOM 0 HD12 ILE A 77 -18.045 -7.406 -17.879 1.00 15.14 H new ATOM 0 HD13 ILE A 77 -17.914 -6.690 -16.255 1.00 15.14 H new ATOM 1236 N ASP A 78 -12.522 -8.822 -15.970 1.00 22.31 N ATOM 1237 CA ASP A 78 -11.783 -9.921 -15.358 1.00 14.23 C ATOM 1238 C ASP A 78 -12.729 -10.879 -14.639 1.00 51.50 C ATOM 1239 O ASP A 78 -13.268 -10.556 -13.581 1.00 30.41 O ATOM 1240 CB ASP A 78 -10.743 -9.379 -14.376 1.00 10.04 C ATOM 1241 CG ASP A 78 -9.671 -10.400 -14.046 1.00 34.33 C ATOM 1242 OD1 ASP A 78 -9.482 -11.339 -14.846 1.00 23.13 O ATOM 1243 OD2 ASP A 78 -9.023 -10.259 -12.988 1.00 2.12 O ATOM 0 H ASP A 78 -12.394 -7.920 -15.511 1.00 22.31 H new ATOM 0 HA ASP A 78 -11.273 -10.469 -16.150 1.00 14.23 H new ATOM 0 HB2 ASP A 78 -10.276 -8.490 -14.800 1.00 10.04 H new ATOM 0 HB3 ASP A 78 -11.241 -9.070 -13.457 1.00 10.04 H new ATOM 1248 N TYR A 79 -12.925 -12.056 -15.223 1.00 11.44 N ATOM 1249 CA TYR A 79 -13.807 -13.059 -14.640 1.00 21.11 C ATOM 1250 C TYR A 79 -13.005 -14.144 -13.928 1.00 60.22 C ATOM 1251 O TYR A 79 -12.063 -14.706 -14.488 1.00 44.10 O ATOM 1252 CB TYR A 79 -14.686 -13.687 -15.723 1.00 60.02 C ATOM 1253 CG TYR A 79 -13.900 -14.378 -16.814 1.00 52.44 C ATOM 1254 CD1 TYR A 79 -13.463 -13.678 -17.933 1.00 43.12 C ATOM 1255 CD2 TYR A 79 -13.594 -15.731 -16.729 1.00 13.33 C ATOM 1256 CE1 TYR A 79 -12.745 -14.305 -18.933 1.00 52.10 C ATOM 1257 CE2 TYR A 79 -12.875 -16.366 -17.723 1.00 55.02 C ATOM 1258 CZ TYR A 79 -12.454 -15.649 -18.823 1.00 41.34 C ATOM 1259 OH TYR A 79 -11.739 -16.278 -19.816 1.00 60.42 O ATOM 0 H TYR A 79 -12.485 -12.338 -16.099 1.00 11.44 H new ATOM 0 HA TYR A 79 -14.443 -12.563 -13.907 1.00 21.11 H new ATOM 0 HB2 TYR A 79 -15.360 -14.408 -15.260 1.00 60.02 H new ATOM 0 HB3 TYR A 79 -15.308 -12.911 -16.170 1.00 60.02 H new ATOM 0 HD1 TYR A 79 -13.689 -12.626 -18.022 1.00 43.12 H new ATOM 0 HD2 TYR A 79 -13.924 -16.296 -15.870 1.00 13.33 H new ATOM 0 HE1 TYR A 79 -12.413 -13.746 -19.796 1.00 52.10 H new ATOM 0 HE2 TYR A 79 -12.644 -17.418 -17.639 1.00 55.02 H new ATOM 0 HH TYR A 79 -11.619 -17.223 -19.584 1.00 60.42 H new ATOM 1269 N THR A 80 -13.385 -14.435 -12.688 1.00 23.21 N ATOM 1270 CA THR A 80 -12.702 -15.452 -11.898 1.00 33.31 C ATOM 1271 C THR A 80 -13.542 -16.718 -11.789 1.00 25.55 C ATOM 1272 O THR A 80 -14.741 -16.660 -11.516 1.00 22.24 O ATOM 1273 CB THR A 80 -12.380 -14.940 -10.481 1.00 33.12 C ATOM 1274 OG1 THR A 80 -11.717 -15.962 -9.730 1.00 24.23 O ATOM 1275 CG2 THR A 80 -13.648 -14.513 -9.758 1.00 70.22 C ATOM 0 H THR A 80 -14.162 -13.981 -12.209 1.00 23.21 H new ATOM 0 HA THR A 80 -11.770 -15.681 -12.414 1.00 33.31 H new ATOM 0 HB THR A 80 -11.725 -14.074 -10.572 1.00 33.12 H new ATOM 0 HG1 THR A 80 -11.514 -15.628 -8.831 1.00 24.23 H new ATOM 0 HG21 THR A 80 -13.395 -14.155 -8.760 1.00 70.22 H new ATOM 0 HG22 THR A 80 -14.134 -13.714 -10.317 1.00 70.22 H new ATOM 0 HG23 THR A 80 -14.325 -15.363 -9.678 1.00 70.22 H new ATOM 1283 N VAL A 81 -12.905 -17.866 -12.003 1.00 33.24 N ATOM 1284 CA VAL A 81 -13.594 -19.149 -11.926 1.00 10.04 C ATOM 1285 C VAL A 81 -13.222 -19.897 -10.651 1.00 50.00 C ATOM 1286 O VAL A 81 -12.089 -20.354 -10.493 1.00 43.23 O ATOM 1287 CB VAL A 81 -13.266 -20.036 -13.142 1.00 73.03 C ATOM 1288 CG1 VAL A 81 -13.964 -19.512 -14.388 1.00 74.22 C ATOM 1289 CG2 VAL A 81 -11.762 -20.111 -13.356 1.00 62.00 C ATOM 0 H VAL A 81 -11.913 -17.933 -12.231 1.00 33.24 H new ATOM 0 HA VAL A 81 -14.663 -18.934 -11.919 1.00 10.04 H new ATOM 0 HB VAL A 81 -13.633 -21.043 -12.945 1.00 73.03 H new ATOM 0 HG11 VAL A 81 -13.721 -20.151 -15.237 1.00 74.22 H new ATOM 0 HG12 VAL A 81 -15.042 -19.514 -14.229 1.00 74.22 H new ATOM 0 HG13 VAL A 81 -13.630 -18.495 -14.592 1.00 74.22 H new ATOM 0 HG21 VAL A 81 -11.548 -20.742 -14.219 1.00 62.00 H new ATOM 0 HG22 VAL A 81 -11.369 -19.110 -13.532 1.00 62.00 H new ATOM 0 HG23 VAL A 81 -11.289 -20.536 -12.470 1.00 62.00 H new ATOM 1299 N LEU A 82 -14.183 -20.019 -9.742 1.00 21.14 N ATOM 1300 CA LEU A 82 -13.958 -20.714 -8.478 1.00 41.04 C ATOM 1301 C LEU A 82 -14.707 -22.042 -8.446 1.00 30.22 C ATOM 1302 O LEU A 82 -15.936 -22.073 -8.508 1.00 61.41 O ATOM 1303 CB LEU A 82 -14.400 -19.836 -7.306 1.00 61.54 C ATOM 1304 CG LEU A 82 -13.893 -18.394 -7.318 1.00 74.52 C ATOM 1305 CD1 LEU A 82 -14.643 -17.556 -6.295 1.00 1.31 C ATOM 1306 CD2 LEU A 82 -12.396 -18.353 -7.051 1.00 11.30 C ATOM 0 H LEU A 82 -15.125 -19.646 -9.856 1.00 21.14 H new ATOM 0 HA LEU A 82 -12.891 -20.919 -8.388 1.00 41.04 H new ATOM 0 HB2 LEU A 82 -15.490 -19.816 -7.284 1.00 61.54 H new ATOM 0 HB3 LEU A 82 -14.071 -20.308 -6.380 1.00 61.54 H new ATOM 0 HG LEU A 82 -14.077 -17.972 -8.306 1.00 74.52 H new ATOM 0 HD11 LEU A 82 -14.268 -16.533 -6.318 1.00 1.31 H new ATOM 0 HD12 LEU A 82 -15.707 -17.558 -6.532 1.00 1.31 H new ATOM 0 HD13 LEU A 82 -14.492 -17.975 -5.300 1.00 1.31 H new ATOM 0 HD21 LEU A 82 -12.052 -17.319 -7.063 1.00 11.30 H new ATOM 0 HD22 LEU A 82 -12.188 -18.793 -6.076 1.00 11.30 H new ATOM 0 HD23 LEU A 82 -11.873 -18.918 -7.823 1.00 11.30 H new