USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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 3 GLN :FLIP amide:sc= -8.65! C(o=-11!,f=-8.6!) USER MOD Single : A 5 THR OG1 : rot 79:sc= 1.44 USER MOD Single : A 20 MET CE :methyl -176:sc= -0.161 (180deg=-0.213) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00639) USER MOD Single : A 32 MET CE :methyl -177:sc= 0 (180deg=-0.00714) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 55 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -28:sc= 0.0988 USER MOD Single : A 60 MET CE :methyl -134:sc= -16.8! (180deg=-17.5!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 166:sc= 1.27 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 0.314 -23.029 -11.778 1.00 0.00 N ATOM 2 CA ALA A 2 1.361 -23.326 -10.817 1.00 0.00 C ATOM 3 C ALA A 2 1.291 -22.321 -9.665 1.00 0.00 C ATOM 4 O ALA A 2 2.152 -21.453 -9.540 1.00 0.00 O ATOM 5 CB ALA A 2 2.720 -23.310 -11.520 1.00 0.00 C ATOM 0 HA ALA A 2 1.222 -24.322 -10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.506 -23.533 -10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.730 -24.061 -12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.894 -22.325 -11.953 1.00 0.00 H new ATOM 6 N GLN A 3 0.253 -22.473 -8.854 1.00 0.00 N ATOM 7 CA GLN A 3 0.058 -21.589 -7.716 1.00 0.00 C ATOM 8 C GLN A 3 -0.790 -22.279 -6.648 1.00 0.00 C ATOM 9 O GLN A 3 -1.815 -22.884 -6.958 1.00 0.00 O ATOM 10 CB GLN A 3 -0.577 -20.267 -8.152 1.00 0.00 C ATOM 11 CG GLN A 3 -0.794 -19.342 -6.953 1.00 0.00 C ATOM 12 CD GLN A 3 0.533 -19.005 -6.271 1.00 0.00 C ATOM 13 OE1 GLN A 3 1.227 -18.049 -6.882 1.00 0.00 O flip ATOM 14 NE2 GLN A 3 0.903 -19.575 -5.257 1.00 0.00 N flip ATOM 0 H GLN A 3 -0.461 -23.194 -8.962 1.00 0.00 H new ATOM 0 HA GLN A 3 1.033 -21.361 -7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.064 -19.775 -8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.530 -20.462 -8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.281 -18.424 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.463 -19.820 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.321 -20.301 -4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.794 -19.325 -4.828 1.00 0.00 H new ATOM 15 N ILE A 4 -0.331 -22.168 -5.408 1.00 0.00 N ATOM 16 CA ILE A 4 -1.035 -22.775 -4.292 1.00 0.00 C ATOM 17 C ILE A 4 -2.026 -21.764 -3.711 1.00 0.00 C ATOM 18 O ILE A 4 -1.697 -21.032 -2.779 1.00 0.00 O ATOM 19 CB ILE A 4 -0.042 -23.321 -3.265 1.00 0.00 C ATOM 20 CG1 ILE A 4 0.997 -24.224 -3.933 1.00 0.00 C ATOM 21 CG2 ILE A 4 -0.769 -24.031 -2.122 1.00 0.00 C ATOM 22 CD1 ILE A 4 0.324 -25.389 -4.661 1.00 0.00 C ATOM 0 H ILE A 4 0.520 -21.666 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.614 -23.635 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 4 0.496 -22.479 -2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.589 -23.642 -4.640 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.686 -24.609 -3.181 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.039 -24.410 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.436 -23.328 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.350 -24.862 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.085 -26.015 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.247 -25.983 -3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.346 -25.000 -5.428 1.00 0.00 H new ATOM 23 N THR A 5 -3.220 -21.757 -4.284 1.00 0.00 N ATOM 24 CA THR A 5 -4.263 -20.850 -3.834 1.00 0.00 C ATOM 25 C THR A 5 -5.381 -21.624 -3.137 1.00 0.00 C ATOM 26 O THR A 5 -6.470 -21.093 -2.924 1.00 0.00 O ATOM 27 CB THR A 5 -4.743 -20.045 -5.046 1.00 0.00 C ATOM 28 OG1 THR A 5 -5.734 -19.173 -4.510 1.00 0.00 O ATOM 29 CG2 THR A 5 -5.507 -20.905 -6.054 1.00 0.00 C ATOM 0 H THR A 5 -3.489 -22.366 -5.057 1.00 0.00 H new ATOM 0 HA THR A 5 -3.884 -20.150 -3.089 1.00 0.00 H new ATOM 0 HB THR A 5 -3.887 -19.584 -5.539 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.298 -18.415 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.825 -20.286 -6.893 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.859 -21.703 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 5 -6.383 -21.340 -5.572 1.00 0.00 H new ATOM 30 N GLY A 6 -5.075 -22.869 -2.802 1.00 0.00 N ATOM 31 CA GLY A 6 -6.041 -23.724 -2.131 1.00 0.00 C ATOM 32 C GLY A 6 -5.966 -23.552 -0.614 1.00 0.00 C ATOM 33 O GLY A 6 -6.906 -23.895 0.100 1.00 0.00 O ATOM 0 H GLY A 6 -4.172 -23.307 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.046 -23.485 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.853 -24.765 -2.392 1.00 0.00 H new ATOM 34 N ARG A 7 -4.836 -23.021 -0.166 1.00 0.00 N ATOM 35 CA ARG A 7 -4.626 -22.800 1.255 1.00 0.00 C ATOM 36 C ARG A 7 -5.262 -21.476 1.686 1.00 0.00 C ATOM 37 O ARG A 7 -5.242 -20.502 0.938 1.00 0.00 O ATOM 38 CB ARG A 7 -3.134 -22.774 1.593 1.00 0.00 C ATOM 39 CG ARG A 7 -2.488 -24.136 1.325 1.00 0.00 C ATOM 40 CD ARG A 7 -2.828 -25.132 2.435 1.00 0.00 C ATOM 41 NE ARG A 7 -1.988 -26.343 2.302 1.00 0.00 N ATOM 42 CZ ARG A 7 -0.704 -26.411 2.678 1.00 0.00 C ATOM 43 NH1 ARG A 7 -0.104 -25.339 3.213 1.00 0.00 N ATOM 44 NH2 ARG A 7 -0.019 -27.553 2.520 1.00 0.00 N ATOM 0 H ARG A 7 -4.058 -22.738 -0.762 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.095 -23.625 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.636 -22.008 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.999 -22.503 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.832 -24.523 0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.406 -24.022 1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.666 -24.672 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.882 -25.403 2.382 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.413 -27.178 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.625 -24.470 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.874 -25.392 3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.476 -28.370 2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.959 -27.605 2.806 1.00 0.00 H new ATOM 45 N PRO A 8 -5.825 -21.487 2.923 1.00 0.00 N ATOM 46 CA PRO A 8 -6.466 -20.299 3.464 1.00 0.00 C ATOM 47 C PRO A 8 -5.431 -19.223 3.799 1.00 0.00 C ATOM 48 O PRO A 8 -5.756 -18.037 3.843 1.00 0.00 O ATOM 49 CB PRO A 8 -7.233 -20.786 4.681 1.00 0.00 C ATOM 50 CG PRO A 8 -6.554 -22.075 5.114 1.00 0.00 C ATOM 51 CD PRO A 8 -5.778 -22.615 3.924 1.00 0.00 C ATOM 0 HA PRO A 8 -7.139 -19.822 2.752 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.209 -20.045 5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.281 -20.959 4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.885 -21.890 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.294 -22.802 5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.753 -22.867 4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.234 -23.522 3.527 1.00 0.00 H new ATOM 52 N GLU A 9 -4.206 -19.674 4.027 1.00 0.00 N ATOM 53 CA GLU A 9 -3.122 -18.765 4.357 1.00 0.00 C ATOM 54 C GLU A 9 -2.742 -17.926 3.135 1.00 0.00 C ATOM 55 O GLU A 9 -2.447 -16.738 3.260 1.00 0.00 O ATOM 56 CB GLU A 9 -1.912 -19.528 4.897 1.00 0.00 C ATOM 57 CG GLU A 9 -0.809 -18.565 5.340 1.00 0.00 C ATOM 58 CD GLU A 9 0.104 -18.199 4.168 1.00 0.00 C ATOM 59 OE1 GLU A 9 0.621 -19.094 3.482 1.00 0.00 O ATOM 60 OE2 GLU A 9 0.326 -17.008 3.903 1.00 0.00 O ATOM 0 H GLU A 9 -3.940 -20.658 3.990 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.465 -18.092 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.216 -20.150 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.527 -20.198 4.128 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.256 -17.661 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.220 -19.022 6.135 1.00 0.00 H new ATOM 61 N TRP A 10 -2.764 -18.577 1.981 1.00 0.00 N ATOM 62 CA TRP A 10 -2.425 -17.905 0.737 1.00 0.00 C ATOM 63 C TRP A 10 -3.537 -16.901 0.424 1.00 0.00 C ATOM 64 O TRP A 10 -3.272 -15.821 -0.101 1.00 0.00 O ATOM 65 CB TRP A 10 -2.199 -18.917 -0.387 1.00 0.00 C ATOM 66 CG TRP A 10 -1.602 -18.311 -1.659 1.00 0.00 C ATOM 67 CD1 TRP A 10 -0.316 -18.290 -2.039 1.00 0.00 C ATOM 68 CD2 TRP A 10 -2.277 -17.638 -2.713 1.00 0.00 C ATOM 69 NE1 TRP A 10 -0.157 -17.652 -3.252 1.00 0.00 N ATOM 70 CE2 TRP A 10 -1.416 -17.238 -3.672 1.00 0.00 C ATOM 71 CE3 TRP A 10 -3.657 -17.370 -2.837 1.00 0.00 C ATOM 72 CZ2 TRP A 10 -1.783 -16.553 -4.837 1.00 0.00 C ATOM 73 CZ3 TRP A 10 -4.024 -16.682 -4.000 1.00 0.00 C ATOM 74 CH2 TRP A 10 -3.136 -16.273 -4.987 1.00 0.00 C ATOM 0 H TRP A 10 -3.011 -19.562 1.881 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.484 -17.363 0.834 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.536 -19.704 -0.026 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.150 -19.389 -0.633 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.494 -18.719 -1.467 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.722 -17.510 -3.749 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.376 -17.673 -2.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.055 -16.259 -5.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.070 -16.453 -4.139 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.492 -15.745 -5.859 1.00 0.00 H new ATOM 75 N ILE A 11 -4.756 -17.294 0.761 1.00 0.00 N ATOM 76 CA ILE A 11 -5.909 -16.442 0.523 1.00 0.00 C ATOM 77 C ILE A 11 -5.840 -15.226 1.450 1.00 0.00 C ATOM 78 O ILE A 11 -6.178 -14.115 1.048 1.00 0.00 O ATOM 79 CB ILE A 11 -7.205 -17.243 0.657 1.00 0.00 C ATOM 80 CG1 ILE A 11 -7.318 -18.291 -0.452 1.00 0.00 C ATOM 81 CG2 ILE A 11 -8.422 -16.315 0.696 1.00 0.00 C ATOM 82 CD1 ILE A 11 -7.857 -17.670 -1.741 1.00 0.00 C ATOM 0 H ILE A 11 -4.971 -18.191 1.197 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.898 -16.065 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.179 -17.779 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.340 -18.734 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.977 -19.097 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.330 -16.910 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.338 -15.641 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.465 -15.733 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.927 -18.437 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.845 -17.249 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.183 -16.881 -2.074 1.00 0.00 H new ATOM 83 N TRP A 12 -5.397 -15.479 2.674 1.00 0.00 N ATOM 84 CA TRP A 12 -5.280 -14.420 3.661 1.00 0.00 C ATOM 85 C TRP A 12 -4.162 -13.477 3.212 1.00 0.00 C ATOM 86 O TRP A 12 -4.252 -12.266 3.403 1.00 0.00 O ATOM 87 CB TRP A 12 -5.050 -14.997 5.059 1.00 0.00 C ATOM 88 CG TRP A 12 -4.846 -13.938 6.144 1.00 0.00 C ATOM 89 CD1 TRP A 12 -3.710 -13.608 6.772 1.00 0.00 C ATOM 90 CD2 TRP A 12 -5.816 -13.073 6.720 1.00 0.00 C ATOM 91 NE1 TRP A 12 -3.914 -12.602 7.694 1.00 0.00 N ATOM 92 CE2 TRP A 12 -5.262 -12.268 7.653 1.00 0.00 C ATOM 93 CE3 TRP A 12 -7.194 -12.987 6.430 1.00 0.00 C ATOM 94 CZ2 TRP A 12 -5.964 -11.310 8.394 1.00 0.00 C ATOM 95 CZ3 TRP A 12 -7.894 -12.028 7.172 1.00 0.00 C ATOM 96 CH2 TRP A 12 -7.324 -11.200 8.131 1.00 0.00 C ATOM 0 H TRP A 12 -5.115 -16.402 3.004 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.208 -13.852 3.730 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.903 -15.619 5.329 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.176 -15.648 5.033 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.754 -14.072 6.581 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.206 -12.181 8.295 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -7.673 -13.613 5.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.475 -10.690 9.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -8.953 -11.925 6.986 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -7.929 -10.482 8.664 1.00 0.00 H new ATOM 97 N LEU A 13 -3.133 -14.070 2.624 1.00 0.00 N ATOM 98 CA LEU A 13 -1.997 -13.298 2.146 1.00 0.00 C ATOM 99 C LEU A 13 -2.447 -12.399 0.993 1.00 0.00 C ATOM 100 O LEU A 13 -2.089 -11.222 0.944 1.00 0.00 O ATOM 101 CB LEU A 13 -0.835 -14.224 1.785 1.00 0.00 C ATOM 102 CG LEU A 13 0.427 -13.409 1.487 1.00 0.00 C ATOM 103 CD1 LEU A 13 1.175 -13.065 2.776 1.00 0.00 C ATOM 104 CD2 LEU A 13 1.321 -14.132 0.479 1.00 0.00 C ATOM 0 H LEU A 13 -3.062 -15.075 2.468 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.621 -12.644 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.644 -14.915 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.099 -14.827 0.916 1.00 0.00 H new ATOM 0 HG LEU A 13 0.125 -12.466 1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.067 -12.486 2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.527 -12.479 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.465 -13.984 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.210 -13.532 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.618 -15.099 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.774 -14.281 -0.452 1.00 0.00 H new ATOM 105 N ALA A 14 -3.226 -12.984 0.095 1.00 0.00 N ATOM 106 CA ALA A 14 -3.728 -12.251 -1.053 1.00 0.00 C ATOM 107 C ALA A 14 -4.655 -11.133 -0.573 1.00 0.00 C ATOM 108 O ALA A 14 -4.660 -10.040 -1.137 1.00 0.00 O ATOM 109 CB ALA A 14 -4.427 -13.217 -2.011 1.00 0.00 C ATOM 0 H ALA A 14 -3.522 -13.959 0.140 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.907 -11.787 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.804 -12.666 -2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.718 -13.974 -2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.258 -13.700 -1.498 1.00 0.00 H new ATOM 110 N LEU A 15 -5.416 -11.444 0.465 1.00 0.00 N ATOM 111 CA LEU A 15 -6.345 -10.480 1.029 1.00 0.00 C ATOM 112 C LEU A 15 -5.560 -9.308 1.624 1.00 0.00 C ATOM 113 O LEU A 15 -5.949 -8.153 1.467 1.00 0.00 O ATOM 114 CB LEU A 15 -7.285 -11.160 2.027 1.00 0.00 C ATOM 115 CG LEU A 15 -8.392 -10.197 2.462 1.00 0.00 C ATOM 116 CD1 LEU A 15 -9.550 -10.204 1.460 1.00 0.00 C ATOM 117 CD2 LEU A 15 -8.862 -10.509 3.885 1.00 0.00 C ATOM 0 H LEU A 15 -5.408 -12.351 0.931 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.988 -10.071 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.725 -12.048 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.721 -11.493 2.898 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.982 -9.187 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.323 -9.511 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.185 -9.897 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.967 -11.209 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.649 -9.810 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.249 -11.527 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.024 -10.412 4.575 1.00 0.00 H new ATOM 118 N GLY A 16 -4.470 -9.650 2.294 1.00 0.00 N ATOM 119 CA GLY A 16 -3.627 -8.641 2.913 1.00 0.00 C ATOM 120 C GLY A 16 -2.972 -7.751 1.857 1.00 0.00 C ATOM 121 O GLY A 16 -2.870 -6.538 2.036 1.00 0.00 O ATOM 0 H GLY A 16 -4.151 -10.610 2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.223 -8.029 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.857 -9.124 3.515 1.00 0.00 H new ATOM 122 N THR A 17 -2.541 -8.387 0.776 1.00 0.00 N ATOM 123 CA THR A 17 -1.898 -7.667 -0.310 1.00 0.00 C ATOM 124 C THR A 17 -2.903 -6.755 -1.015 1.00 0.00 C ATOM 125 O THR A 17 -2.550 -5.665 -1.463 1.00 0.00 O ATOM 126 CB THR A 17 -1.252 -8.695 -1.241 1.00 0.00 C ATOM 127 OG1 THR A 17 -0.417 -9.465 -0.383 1.00 0.00 O ATOM 128 CG2 THR A 17 -0.280 -8.056 -2.234 1.00 0.00 C ATOM 0 H THR A 17 -2.625 -9.393 0.630 1.00 0.00 H new ATOM 0 HA THR A 17 -1.115 -7.007 0.062 1.00 0.00 H new ATOM 0 HB THR A 17 -2.030 -9.229 -1.787 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.150 -8.829 -2.871 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.813 -7.333 -2.851 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.517 -7.550 -1.689 1.00 0.00 H new ATOM 129 N ALA A 18 -4.136 -7.233 -1.091 1.00 0.00 N ATOM 130 CA ALA A 18 -5.197 -6.474 -1.734 1.00 0.00 C ATOM 131 C ALA A 18 -5.598 -5.305 -0.832 1.00 0.00 C ATOM 132 O ALA A 18 -5.933 -4.227 -1.321 1.00 0.00 O ATOM 133 CB ALA A 18 -6.372 -7.403 -2.044 1.00 0.00 C ATOM 0 H ALA A 18 -4.425 -8.137 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.854 -6.057 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.168 -6.835 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.040 -8.200 -2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.747 -7.838 -1.117 1.00 0.00 H new ATOM 134 N LEU A 19 -5.555 -5.559 0.468 1.00 0.00 N ATOM 135 CA LEU A 19 -5.910 -4.541 1.441 1.00 0.00 C ATOM 136 C LEU A 19 -4.888 -3.405 1.383 1.00 0.00 C ATOM 137 O LEU A 19 -5.256 -2.242 1.234 1.00 0.00 O ATOM 138 CB LEU A 19 -6.061 -5.160 2.832 1.00 0.00 C ATOM 139 CG LEU A 19 -6.373 -4.080 3.869 1.00 0.00 C ATOM 140 CD1 LEU A 19 -7.752 -3.464 3.623 1.00 0.00 C ATOM 141 CD2 LEU A 19 -6.234 -4.628 5.291 1.00 0.00 C ATOM 0 H LEU A 19 -5.280 -6.455 0.870 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.881 -4.108 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.859 -5.903 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.144 -5.681 3.106 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.640 -3.280 3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.948 -2.699 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.777 -3.013 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.514 -4.240 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.461 -3.840 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.928 -5.457 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.214 -4.978 5.448 1.00 0.00 H new ATOM 142 N MET A 20 -3.624 -3.782 1.502 1.00 0.00 N ATOM 143 CA MET A 20 -2.546 -2.809 1.464 1.00 0.00 C ATOM 144 C MET A 20 -2.480 -2.117 0.102 1.00 0.00 C ATOM 145 O MET A 20 -2.210 -0.920 0.024 1.00 0.00 O ATOM 146 CB MET A 20 -1.215 -3.510 1.746 1.00 0.00 C ATOM 147 CG MET A 20 -1.091 -3.878 3.226 1.00 0.00 C ATOM 148 SD MET A 20 0.536 -4.535 3.557 1.00 0.00 S ATOM 149 CE MET A 20 0.277 -6.243 3.108 1.00 0.00 C ATOM 0 H MET A 20 -3.322 -4.748 1.625 1.00 0.00 H new ATOM 0 HA MET A 20 -2.737 -2.053 2.226 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.138 -4.410 1.136 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.389 -2.859 1.459 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.270 -2.998 3.844 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.850 -4.614 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.179 -6.816 3.322 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.556 -6.648 3.683 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.049 -6.309 2.044 1.00 0.00 H new ATOM 150 N GLY A 21 -2.731 -2.899 -0.937 1.00 0.00 N ATOM 151 CA GLY A 21 -2.703 -2.376 -2.292 1.00 0.00 C ATOM 152 C GLY A 21 -3.797 -1.326 -2.497 1.00 0.00 C ATOM 153 O GLY A 21 -3.568 -0.303 -3.140 1.00 0.00 O ATOM 0 H GLY A 21 -2.955 -3.892 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.727 -1.934 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.838 -3.191 -3.003 1.00 0.00 H new ATOM 154 N LEU A 22 -4.963 -1.615 -1.936 1.00 0.00 N ATOM 155 CA LEU A 22 -6.094 -0.709 -2.050 1.00 0.00 C ATOM 156 C LEU A 22 -5.800 0.565 -1.254 1.00 0.00 C ATOM 157 O LEU A 22 -6.130 1.666 -1.695 1.00 0.00 O ATOM 158 CB LEU A 22 -7.387 -1.411 -1.631 1.00 0.00 C ATOM 159 CG LEU A 22 -8.566 -0.437 -1.684 1.00 0.00 C ATOM 160 CD1 LEU A 22 -8.842 0.012 -3.120 1.00 0.00 C ATOM 161 CD2 LEU A 22 -9.806 -1.040 -1.023 1.00 0.00 C ATOM 0 H LEU A 22 -5.149 -2.464 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.243 -0.412 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.578 -2.258 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.281 -1.809 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.299 0.453 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.684 0.704 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.959 0.510 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.079 -0.857 -3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.629 -0.327 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.086 -1.956 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.588 -1.267 0.020 1.00 0.00 H new ATOM 162 N GLY A 23 -5.185 0.373 -0.096 1.00 0.00 N ATOM 163 CA GLY A 23 -4.844 1.494 0.765 1.00 0.00 C ATOM 164 C GLY A 23 -3.848 2.428 0.079 1.00 0.00 C ATOM 165 O GLY A 23 -3.987 3.648 0.146 1.00 0.00 O ATOM 0 H GLY A 23 -4.914 -0.541 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.747 2.046 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.418 1.124 1.698 1.00 0.00 H new ATOM 166 N THR A 24 -2.862 1.821 -0.566 1.00 0.00 N ATOM 167 CA THR A 24 -1.841 2.584 -1.264 1.00 0.00 C ATOM 168 C THR A 24 -2.445 3.304 -2.471 1.00 0.00 C ATOM 169 O THR A 24 -2.098 4.450 -2.752 1.00 0.00 O ATOM 170 CB THR A 24 -0.706 1.627 -1.633 1.00 0.00 C ATOM 171 OG1 THR A 24 -0.326 1.043 -0.391 1.00 0.00 O ATOM 172 CG2 THR A 24 0.553 2.364 -2.099 1.00 0.00 C ATOM 0 H THR A 24 -2.749 0.809 -0.620 1.00 0.00 H new ATOM 0 HA THR A 24 -1.431 3.369 -0.629 1.00 0.00 H new ATOM 0 HB THR A 24 -1.043 0.951 -2.419 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.328 1.639 -2.349 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.319 2.963 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.909 3.016 -1.301 1.00 0.00 H new ATOM 173 N LEU A 25 -3.339 2.603 -3.153 1.00 0.00 N ATOM 174 CA LEU A 25 -3.995 3.160 -4.322 1.00 0.00 C ATOM 175 C LEU A 25 -4.816 4.383 -3.907 1.00 0.00 C ATOM 176 O LEU A 25 -4.760 5.425 -4.559 1.00 0.00 O ATOM 177 CB LEU A 25 -4.812 2.086 -5.042 1.00 0.00 C ATOM 178 CG LEU A 25 -5.577 2.694 -6.220 1.00 0.00 C ATOM 179 CD1 LEU A 25 -4.614 3.218 -7.288 1.00 0.00 C ATOM 180 CD2 LEU A 25 -6.583 1.695 -6.794 1.00 0.00 C ATOM 0 H LEU A 25 -3.624 1.653 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.256 3.503 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.151 1.296 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.512 1.625 -4.345 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.146 3.549 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.184 3.645 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.973 3.986 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.999 2.397 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.113 2.152 -7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.056 0.806 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.298 1.414 -6.021 1.00 0.00 H new ATOM 181 N TYR A 26 -5.561 4.214 -2.824 1.00 0.00 N ATOM 182 CA TYR A 26 -6.394 5.291 -2.315 1.00 0.00 C ATOM 183 C TYR A 26 -5.541 6.484 -1.878 1.00 0.00 C ATOM 184 O TYR A 26 -5.926 7.634 -2.081 1.00 0.00 O ATOM 185 CB TYR A 26 -7.115 4.722 -1.091 1.00 0.00 C ATOM 186 CG TYR A 26 -8.013 5.732 -0.372 1.00 0.00 C ATOM 187 CD1 TYR A 26 -9.256 6.000 -0.852 1.00 0.00 C ATOM 188 CD2 TYR A 26 -7.539 6.399 0.814 1.00 0.00 C ATOM 189 CE1 TYR A 26 -10.099 6.951 -0.175 1.00 0.00 C ATOM 190 CE2 TYR A 26 -8.336 7.297 1.453 1.00 0.00 C ATOM 191 CZ TYR A 26 -9.653 7.581 0.944 1.00 0.00 C ATOM 192 OH TYR A 26 -10.450 8.479 1.583 1.00 0.00 O ATOM 0 H TYR A 26 -5.605 3.349 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.084 5.639 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.720 3.870 -1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.373 4.346 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.611 5.500 -1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.551 6.186 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.087 7.164 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.981 7.797 2.342 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.979 8.836 2.365 1.00 0.00 H new ATOM 193 N PHE A 27 -4.398 6.169 -1.288 1.00 0.00 N ATOM 194 CA PHE A 27 -3.486 7.201 -0.821 1.00 0.00 C ATOM 195 C PHE A 27 -2.910 7.995 -1.995 1.00 0.00 C ATOM 196 O PHE A 27 -2.684 9.199 -1.884 1.00 0.00 O ATOM 197 CB PHE A 27 -2.345 6.492 -0.090 1.00 0.00 C ATOM 198 CG PHE A 27 -1.270 7.438 0.451 1.00 0.00 C ATOM 199 CD1 PHE A 27 -1.475 8.116 1.682 1.00 0.00 C ATOM 200 CD2 PHE A 27 -0.119 7.631 -0.249 1.00 0.00 C ATOM 201 CE1 PHE A 27 -0.520 8.957 2.162 1.00 0.00 C ATOM 202 CE2 PHE A 27 0.877 8.509 0.252 1.00 0.00 C ATOM 203 CZ PHE A 27 0.681 9.157 1.432 1.00 0.00 C ATOM 0 H PHE A 27 -4.082 5.214 -1.122 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.014 7.898 -0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.759 5.918 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.879 5.779 -0.770 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.389 7.964 2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.036 7.116 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.675 9.473 3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.790 8.663 -0.303 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.440 9.824 1.814 1.00 0.00 H new ATOM 204 N LEU A 28 -2.690 7.289 -3.094 1.00 0.00 N ATOM 205 CA LEU A 28 -2.145 7.912 -4.287 1.00 0.00 C ATOM 206 C LEU A 28 -3.215 8.795 -4.931 1.00 0.00 C ATOM 207 O LEU A 28 -2.922 9.898 -5.391 1.00 0.00 O ATOM 208 CB LEU A 28 -1.574 6.853 -5.232 1.00 0.00 C ATOM 209 CG LEU A 28 -0.280 6.268 -4.661 1.00 0.00 C ATOM 210 CD1 LEU A 28 -0.004 4.879 -5.242 1.00 0.00 C ATOM 211 CD2 LEU A 28 0.896 7.224 -4.876 1.00 0.00 C ATOM 0 H LEU A 28 -2.880 6.291 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.308 8.561 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.305 6.058 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.380 7.295 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.404 6.148 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.921 4.485 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.829 4.211 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.093 4.950 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.803 6.784 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.033 7.398 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.691 8.171 -4.377 1.00 0.00 H new ATOM 212 N VAL A 29 -4.436 8.278 -4.942 1.00 0.00 N ATOM 213 CA VAL A 29 -5.552 9.007 -5.522 1.00 0.00 C ATOM 214 C VAL A 29 -5.754 10.315 -4.755 1.00 0.00 C ATOM 215 O VAL A 29 -5.915 11.375 -5.359 1.00 0.00 O ATOM 216 CB VAL A 29 -6.801 8.125 -5.536 1.00 0.00 C ATOM 217 CG1 VAL A 29 -8.064 8.964 -5.732 1.00 0.00 C ATOM 218 CG2 VAL A 29 -6.692 7.038 -6.610 1.00 0.00 C ATOM 0 H VAL A 29 -4.676 7.364 -4.559 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.341 9.267 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.874 7.633 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.937 8.311 -5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.154 9.682 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.003 9.497 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.593 6.424 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.582 7.504 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.824 6.411 -6.407 1.00 0.00 H new ATOM 219 N LYS A 30 -5.739 10.199 -3.435 1.00 0.00 N ATOM 220 CA LYS A 30 -5.918 11.360 -2.580 1.00 0.00 C ATOM 221 C LYS A 30 -4.690 12.266 -2.692 1.00 0.00 C ATOM 222 O LYS A 30 -4.807 13.488 -2.603 1.00 0.00 O ATOM 223 CB LYS A 30 -6.232 10.926 -1.147 1.00 0.00 C ATOM 224 CG LYS A 30 -7.592 10.226 -1.071 1.00 0.00 C ATOM 225 CD LYS A 30 -8.544 10.978 -0.139 1.00 0.00 C ATOM 226 CE LYS A 30 -9.039 12.273 -0.789 1.00 0.00 C ATOM 227 NZ LYS A 30 -10.119 11.985 -1.758 1.00 0.00 N ATOM 0 H LYS A 30 -5.606 9.319 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.777 11.945 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.453 10.254 -0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.230 11.796 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.028 10.162 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.460 9.204 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.395 10.343 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.036 11.208 0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.403 12.956 -0.022 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.212 12.773 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.490 12.878 -2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.742 11.406 -2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.885 11.468 -1.281 1.00 0.00 H new ATOM 228 N GLY A 31 -3.543 11.632 -2.885 1.00 0.00 N ATOM 229 CA GLY A 31 -2.295 12.366 -3.010 1.00 0.00 C ATOM 230 C GLY A 31 -2.334 13.313 -4.212 1.00 0.00 C ATOM 231 O GLY A 31 -1.911 14.464 -4.113 1.00 0.00 O ATOM 0 H GLY A 31 -3.451 10.619 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.111 12.936 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.467 11.666 -3.121 1.00 0.00 H new ATOM 232 N MET A 32 -2.845 12.794 -5.318 1.00 0.00 N ATOM 233 CA MET A 32 -2.943 13.577 -6.537 1.00 0.00 C ATOM 234 C MET A 32 -4.153 14.514 -6.489 1.00 0.00 C ATOM 235 O MET A 32 -4.155 15.563 -7.131 1.00 0.00 O ATOM 236 CB MET A 32 -3.072 12.639 -7.738 1.00 0.00 C ATOM 237 CG MET A 32 -1.777 11.859 -7.966 1.00 0.00 C ATOM 238 SD MET A 32 -1.917 10.856 -9.435 1.00 0.00 S ATOM 239 CE MET A 32 -2.794 9.451 -8.769 1.00 0.00 C ATOM 0 H MET A 32 -3.196 11.839 -5.395 1.00 0.00 H new ATOM 0 HA MET A 32 -2.041 14.181 -6.633 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.895 11.944 -7.574 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.315 13.216 -8.630 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.940 12.550 -8.066 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.567 11.227 -7.103 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.919 8.698 -9.547 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.226 9.027 -7.941 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.773 9.769 -8.412 1.00 0.00 H new ATOM 240 N GLY A 33 -5.151 14.102 -5.722 1.00 0.00 N ATOM 241 CA GLY A 33 -6.363 14.891 -5.583 1.00 0.00 C ATOM 242 C GLY A 33 -7.390 14.515 -6.654 1.00 0.00 C ATOM 243 O GLY A 33 -7.932 15.386 -7.331 1.00 0.00 O ATOM 0 H GLY A 33 -5.145 13.232 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.791 14.734 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.122 15.951 -5.662 1.00 0.00 H new ATOM 244 N VAL A 34 -7.624 13.216 -6.774 1.00 0.00 N ATOM 245 CA VAL A 34 -8.575 12.715 -7.751 1.00 0.00 C ATOM 246 C VAL A 34 -8.190 13.227 -9.140 1.00 0.00 C ATOM 247 O VAL A 34 -8.789 14.178 -9.642 1.00 0.00 O ATOM 248 CB VAL A 34 -9.998 13.102 -7.343 1.00 0.00 C ATOM 249 CG1 VAL A 34 -11.029 12.445 -8.262 1.00 0.00 C ATOM 250 CG2 VAL A 34 -10.263 12.748 -5.878 1.00 0.00 C ATOM 0 H VAL A 34 -7.171 12.496 -6.211 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.547 11.626 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.096 14.182 -7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.032 12.736 -7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.860 12.769 -9.289 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.931 11.361 -8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.281 13.033 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.138 11.675 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.559 13.284 -5.241 1.00 0.00 H new ATOM 251 N PRO A 37 10.216 18.541 -0.533 1.00 0.00 N ATOM 252 CA PRO A 37 11.214 19.107 0.359 1.00 0.00 C ATOM 253 C PRO A 37 11.199 18.402 1.718 1.00 0.00 C ATOM 254 O PRO A 37 12.241 17.973 2.208 1.00 0.00 O ATOM 255 CB PRO A 37 10.864 20.584 0.455 1.00 0.00 C ATOM 256 CG PRO A 37 9.422 20.698 -0.012 1.00 0.00 C ATOM 257 CD PRO A 37 9.044 19.395 -0.698 1.00 0.00 C ATOM 0 HA PRO A 37 12.231 18.974 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.974 20.946 1.477 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.526 21.184 -0.169 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.762 20.888 0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.309 21.537 -0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.160 18.948 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.814 19.553 -1.752 1.00 0.00 H new ATOM 258 N ASP A 38 10.006 18.306 2.283 1.00 0.00 N ATOM 259 CA ASP A 38 9.841 17.658 3.576 1.00 0.00 C ATOM 260 C ASP A 38 8.389 17.199 3.731 1.00 0.00 C ATOM 261 O ASP A 38 8.135 16.042 4.062 1.00 0.00 O ATOM 262 CB ASP A 38 10.155 18.625 4.719 1.00 0.00 C ATOM 263 CG ASP A 38 11.632 19.003 4.861 1.00 0.00 C ATOM 264 OD1 ASP A 38 12.455 18.194 5.315 1.00 0.00 O ATOM 265 OD2 ASP A 38 12.040 20.123 4.522 1.00 0.00 O ATOM 0 H ASP A 38 9.144 18.665 1.872 1.00 0.00 H new ATOM 0 HA ASP A 38 10.527 16.812 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.575 19.536 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.818 18.179 5.655 1.00 0.00 H new ATOM 266 N ALA A 39 7.477 18.129 3.481 1.00 0.00 N ATOM 267 CA ALA A 39 6.060 17.831 3.589 1.00 0.00 C ATOM 268 C ALA A 39 5.675 16.808 2.521 1.00 0.00 C ATOM 269 O ALA A 39 5.140 15.745 2.840 1.00 0.00 O ATOM 270 CB ALA A 39 5.258 19.130 3.468 1.00 0.00 C ATOM 0 H ALA A 39 7.693 19.087 3.205 1.00 0.00 H new ATOM 0 HA ALA A 39 5.832 17.393 4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.194 18.909 3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.549 19.813 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.460 19.594 2.503 1.00 0.00 H new ATOM 271 N LYS A 40 5.963 17.162 1.277 1.00 0.00 N ATOM 272 CA LYS A 40 5.652 16.284 0.160 1.00 0.00 C ATOM 273 C LYS A 40 6.522 15.030 0.246 1.00 0.00 C ATOM 274 O LYS A 40 6.133 13.965 -0.234 1.00 0.00 O ATOM 275 CB LYS A 40 5.787 17.036 -1.167 1.00 0.00 C ATOM 276 CG LYS A 40 4.706 18.116 -1.297 1.00 0.00 C ATOM 277 CD LYS A 40 3.409 17.529 -1.852 1.00 0.00 C ATOM 278 CE LYS A 40 2.361 18.621 -2.063 1.00 0.00 C ATOM 279 NZ LYS A 40 1.763 19.025 -0.771 1.00 0.00 N ATOM 0 H LYS A 40 6.407 18.043 1.018 1.00 0.00 H new ATOM 0 HA LYS A 40 4.613 15.957 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.774 17.494 -1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.707 16.334 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.518 18.566 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.059 18.912 -1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.609 17.024 -2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.022 16.777 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.820 19.485 -2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.581 18.260 -2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.053 19.768 -0.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.307 18.202 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.507 19.389 -0.143 1.00 0.00 H new ATOM 280 N LYS A 41 7.684 15.196 0.858 1.00 0.00 N ATOM 281 CA LYS A 41 8.614 14.090 1.013 1.00 0.00 C ATOM 282 C LYS A 41 7.981 13.016 1.900 1.00 0.00 C ATOM 283 O LYS A 41 7.902 11.853 1.511 1.00 0.00 O ATOM 284 CB LYS A 41 9.965 14.592 1.526 1.00 0.00 C ATOM 285 CG LYS A 41 11.052 13.527 1.346 1.00 0.00 C ATOM 286 CD LYS A 41 12.417 14.062 1.783 1.00 0.00 C ATOM 287 CE LYS A 41 12.550 14.039 3.306 1.00 0.00 C ATOM 288 NZ LYS A 41 13.881 14.539 3.716 1.00 0.00 N ATOM 0 H LYS A 41 8.004 16.080 1.253 1.00 0.00 H new ATOM 0 HA LYS A 41 8.818 13.627 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.247 15.499 0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.882 14.857 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.800 12.642 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.095 13.218 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.208 13.460 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.547 15.081 1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.770 14.654 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.407 13.023 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.956 14.517 4.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.621 13.936 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.003 15.516 3.381 1.00 0.00 H new ATOM 289 N PHE A 42 7.545 13.447 3.076 1.00 0.00 N ATOM 290 CA PHE A 42 6.922 12.536 4.022 1.00 0.00 C ATOM 291 C PHE A 42 5.670 11.893 3.420 1.00 0.00 C ATOM 292 O PHE A 42 5.444 10.696 3.581 1.00 0.00 O ATOM 293 CB PHE A 42 6.519 13.369 5.240 1.00 0.00 C ATOM 294 CG PHE A 42 5.717 12.590 6.285 1.00 0.00 C ATOM 295 CD1 PHE A 42 6.388 11.786 7.242 1.00 0.00 C ATOM 296 CD2 PHE A 42 4.358 12.670 6.298 1.00 0.00 C ATOM 297 CE1 PHE A 42 5.675 11.094 8.172 1.00 0.00 C ATOM 298 CE2 PHE A 42 3.613 11.946 7.268 1.00 0.00 C ATOM 299 CZ PHE A 42 4.256 11.177 8.184 1.00 0.00 C ATOM 0 H PHE A 42 7.611 14.414 3.394 1.00 0.00 H new ATOM 0 HA PHE A 42 7.616 11.738 4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.418 13.767 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.929 14.222 4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.466 11.723 7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.846 13.283 5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.187 10.482 8.900 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.535 12.008 7.277 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.689 10.628 8.922 1.00 0.00 H new ATOM 300 N TYR A 43 4.889 12.720 2.739 1.00 0.00 N ATOM 301 CA TYR A 43 3.666 12.248 2.113 1.00 0.00 C ATOM 302 C TYR A 43 3.967 11.167 1.071 1.00 0.00 C ATOM 303 O TYR A 43 3.242 10.178 0.970 1.00 0.00 O ATOM 304 CB TYR A 43 3.057 13.461 1.411 1.00 0.00 C ATOM 305 CG TYR A 43 1.811 13.138 0.585 1.00 0.00 C ATOM 306 CD1 TYR A 43 0.607 12.987 1.198 1.00 0.00 C ATOM 307 CD2 TYR A 43 1.911 12.998 -0.847 1.00 0.00 C ATOM 308 CE1 TYR A 43 -0.567 12.686 0.419 1.00 0.00 C ATOM 309 CE2 TYR A 43 0.803 12.715 -1.581 1.00 0.00 C ATOM 310 CZ TYR A 43 -0.472 12.552 -0.931 1.00 0.00 C ATOM 311 OH TYR A 43 -1.579 12.267 -1.665 1.00 0.00 O ATOM 0 H TYR A 43 5.080 13.713 2.607 1.00 0.00 H new ATOM 0 HA TYR A 43 2.996 11.816 2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.800 14.211 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.808 13.906 0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.530 13.093 2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.866 13.118 -1.336 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.523 12.567 0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.878 12.612 -2.653 1.00 0.00 H new ATOM 312 N ALA A 44 5.035 11.396 0.320 1.00 0.00 N ATOM 313 CA ALA A 44 5.439 10.454 -0.711 1.00 0.00 C ATOM 314 C ALA A 44 5.751 9.103 -0.066 1.00 0.00 C ATOM 315 O ALA A 44 5.319 8.063 -0.560 1.00 0.00 O ATOM 316 CB ALA A 44 6.631 11.023 -1.482 1.00 0.00 C ATOM 0 H ALA A 44 5.632 12.219 0.405 1.00 0.00 H new ATOM 0 HA ALA A 44 4.633 10.298 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.935 10.317 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.347 11.968 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.462 11.189 -0.796 1.00 0.00 H new ATOM 317 N ILE A 45 6.500 9.162 1.023 1.00 0.00 N ATOM 318 CA ILE A 45 6.877 7.956 1.740 1.00 0.00 C ATOM 319 C ILE A 45 5.618 7.273 2.277 1.00 0.00 C ATOM 320 O ILE A 45 5.521 6.046 2.268 1.00 0.00 O ATOM 321 CB ILE A 45 7.909 8.276 2.822 1.00 0.00 C ATOM 322 CG1 ILE A 45 9.333 8.080 2.294 1.00 0.00 C ATOM 323 CG2 ILE A 45 7.649 7.457 4.087 1.00 0.00 C ATOM 324 CD1 ILE A 45 9.679 9.137 1.244 1.00 0.00 C ATOM 0 H ILE A 45 6.857 10.027 1.428 1.00 0.00 H new ATOM 0 HA ILE A 45 7.363 7.250 1.067 1.00 0.00 H new ATOM 0 HB ILE A 45 7.807 9.327 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.042 8.137 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.430 7.085 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.397 7.704 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.656 7.688 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.708 6.394 3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.696 8.975 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.983 9.061 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.605 10.129 1.689 1.00 0.00 H new ATOM 325 N THR A 46 4.685 8.094 2.733 1.00 0.00 N ATOM 326 CA THR A 46 3.436 7.583 3.272 1.00 0.00 C ATOM 327 C THR A 46 2.574 6.993 2.155 1.00 0.00 C ATOM 328 O THR A 46 1.669 6.206 2.417 1.00 0.00 O ATOM 329 CB THR A 46 2.748 8.722 4.030 1.00 0.00 C ATOM 330 OG1 THR A 46 3.734 9.163 4.962 1.00 0.00 O ATOM 331 CG2 THR A 46 1.598 8.230 4.910 1.00 0.00 C ATOM 0 H THR A 46 4.768 9.111 2.741 1.00 0.00 H new ATOM 0 HA THR A 46 3.613 6.765 3.971 1.00 0.00 H new ATOM 0 HB THR A 46 2.371 9.456 3.318 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.231 9.917 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.145 9.078 5.425 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.848 7.740 4.289 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.980 7.521 5.645 1.00 0.00 H new ATOM 332 N THR A 47 2.890 7.396 0.932 1.00 0.00 N ATOM 333 CA THR A 47 2.153 6.916 -0.225 1.00 0.00 C ATOM 334 C THR A 47 2.847 5.688 -0.824 1.00 0.00 C ATOM 335 O THR A 47 2.243 4.947 -1.597 1.00 0.00 O ATOM 336 CB THR A 47 2.016 8.075 -1.214 1.00 0.00 C ATOM 337 OG1 THR A 47 1.291 9.064 -0.487 1.00 0.00 O ATOM 338 CG2 THR A 47 1.106 7.736 -2.394 1.00 0.00 C ATOM 0 H THR A 47 3.645 8.048 0.718 1.00 0.00 H new ATOM 0 HA THR A 47 1.152 6.586 0.053 1.00 0.00 H new ATOM 0 HB THR A 47 3.002 8.353 -1.587 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.044 8.593 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.514 6.882 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.110 7.491 -2.026 1.00 0.00 H new ATOM 339 N LEU A 48 4.103 5.513 -0.444 1.00 0.00 N ATOM 340 CA LEU A 48 4.883 4.388 -0.930 1.00 0.00 C ATOM 341 C LEU A 48 4.944 3.308 0.149 1.00 0.00 C ATOM 342 O LEU A 48 5.461 2.217 -0.086 1.00 0.00 O ATOM 343 CB LEU A 48 6.258 4.859 -1.408 1.00 0.00 C ATOM 344 CG LEU A 48 6.242 5.129 -2.914 1.00 0.00 C ATOM 345 CD1 LEU A 48 6.148 3.822 -3.704 1.00 0.00 C ATOM 346 CD2 LEU A 48 5.123 6.104 -3.283 1.00 0.00 C ATOM 0 H LEU A 48 4.601 6.132 0.196 1.00 0.00 H new ATOM 0 HA LEU A 48 4.403 3.940 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.544 5.765 -0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.008 4.103 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 48 7.185 5.603 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.138 4.042 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.007 3.193 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.231 3.298 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.133 6.279 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.161 5.681 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.276 7.048 -2.760 1.00 0.00 H new ATOM 347 N VAL A 49 4.404 3.648 1.312 1.00 0.00 N ATOM 348 CA VAL A 49 4.396 2.718 2.429 1.00 0.00 C ATOM 349 C VAL A 49 3.537 1.504 2.067 1.00 0.00 C ATOM 350 O VAL A 49 3.971 0.364 2.231 1.00 0.00 O ATOM 351 CB VAL A 49 3.915 3.430 3.696 1.00 0.00 C ATOM 352 CG1 VAL A 49 2.984 2.532 4.513 1.00 0.00 C ATOM 353 CG2 VAL A 49 5.100 3.908 4.538 1.00 0.00 C ATOM 0 H VAL A 49 3.971 4.551 1.504 1.00 0.00 H new ATOM 0 HA VAL A 49 5.404 2.357 2.634 1.00 0.00 H new ATOM 0 HB VAL A 49 3.345 4.308 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.658 3.064 5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.115 2.266 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.515 1.626 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.732 4.411 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.709 3.052 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.704 4.603 3.954 1.00 0.00 H new ATOM 354 N PRO A 50 2.306 1.795 1.566 1.00 0.00 N ATOM 355 CA PRO A 50 1.387 0.741 1.179 1.00 0.00 C ATOM 356 C PRO A 50 1.811 0.102 -0.146 1.00 0.00 C ATOM 357 O PRO A 50 1.405 -1.019 -0.454 1.00 0.00 O ATOM 358 CB PRO A 50 0.023 1.415 1.104 1.00 0.00 C ATOM 359 CG PRO A 50 0.303 2.908 0.996 1.00 0.00 C ATOM 360 CD PRO A 50 1.764 3.135 1.357 1.00 0.00 C ATOM 0 HA PRO A 50 1.371 -0.084 1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.542 1.060 0.242 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.573 1.192 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.100 3.263 -0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.348 3.468 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.293 3.656 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.860 3.746 2.255 1.00 0.00 H new ATOM 361 N ALA A 51 2.621 0.841 -0.890 1.00 0.00 N ATOM 362 CA ALA A 51 3.102 0.359 -2.172 1.00 0.00 C ATOM 363 C ALA A 51 4.153 -0.731 -1.940 1.00 0.00 C ATOM 364 O ALA A 51 4.149 -1.754 -2.620 1.00 0.00 O ATOM 365 CB ALA A 51 3.652 1.533 -2.984 1.00 0.00 C ATOM 0 H ALA A 51 2.955 1.769 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 51 2.288 -0.083 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.013 1.172 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.862 2.266 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.473 1.999 -2.440 1.00 0.00 H new ATOM 366 N ILE A 52 5.025 -0.474 -0.976 1.00 0.00 N ATOM 367 CA ILE A 52 6.076 -1.418 -0.648 1.00 0.00 C ATOM 368 C ILE A 52 5.469 -2.618 0.086 1.00 0.00 C ATOM 369 O ILE A 52 5.883 -3.756 -0.129 1.00 0.00 O ATOM 370 CB ILE A 52 7.196 -0.724 0.133 1.00 0.00 C ATOM 371 CG1 ILE A 52 7.933 0.286 -0.746 1.00 0.00 C ATOM 372 CG2 ILE A 52 8.148 -1.751 0.752 1.00 0.00 C ATOM 373 CD1 ILE A 52 8.632 1.347 0.108 1.00 0.00 C ATOM 0 H ILE A 52 5.024 0.376 -0.412 1.00 0.00 H new ATOM 0 HA ILE A 52 6.540 -1.800 -1.557 1.00 0.00 H new ATOM 0 HB ILE A 52 6.746 -0.166 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.667 -0.231 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.228 0.766 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.934 -1.233 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.594 -2.396 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.594 -2.355 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.149 2.054 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.892 1.878 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.354 0.865 0.768 1.00 0.00 H new ATOM 374 N ALA A 53 4.495 -2.322 0.932 1.00 0.00 N ATOM 375 CA ALA A 53 3.825 -3.359 1.696 1.00 0.00 C ATOM 376 C ALA A 53 3.130 -4.325 0.734 1.00 0.00 C ATOM 377 O ALA A 53 3.196 -5.540 0.914 1.00 0.00 O ATOM 378 CB ALA A 53 2.851 -2.719 2.684 1.00 0.00 C ATOM 0 H ALA A 53 4.153 -1.377 1.106 1.00 0.00 H new ATOM 0 HA ALA A 53 4.546 -3.933 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.349 -3.499 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.399 -2.066 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.110 -2.136 2.138 1.00 0.00 H new ATOM 379 N PHE A 54 2.478 -3.749 -0.265 1.00 0.00 N ATOM 380 CA PHE A 54 1.771 -4.543 -1.254 1.00 0.00 C ATOM 381 C PHE A 54 2.748 -5.353 -2.108 1.00 0.00 C ATOM 382 O PHE A 54 2.498 -6.516 -2.411 1.00 0.00 O ATOM 383 CB PHE A 54 1.015 -3.566 -2.156 1.00 0.00 C ATOM 384 CG PHE A 54 0.342 -4.226 -3.362 1.00 0.00 C ATOM 385 CD1 PHE A 54 -0.815 -4.920 -3.196 1.00 0.00 C ATOM 386 CD2 PHE A 54 0.924 -4.109 -4.650 1.00 0.00 C ATOM 387 CE1 PHE A 54 -1.439 -5.532 -4.316 1.00 0.00 C ATOM 388 CE2 PHE A 54 0.326 -4.696 -5.722 1.00 0.00 C ATOM 389 CZ PHE A 54 -0.881 -5.421 -5.550 1.00 0.00 C ATOM 0 H PHE A 54 2.425 -2.741 -0.410 1.00 0.00 H new ATOM 0 HA PHE A 54 1.098 -5.242 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.256 -3.054 -1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.709 -2.804 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.259 -5.006 -2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.841 -3.554 -4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.357 -6.086 -4.187 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.770 -4.610 -6.703 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.357 -5.885 -6.401 1.00 0.00 H new ATOM 390 N THR A 55 3.846 -4.703 -2.470 1.00 0.00 N ATOM 391 CA THR A 55 4.863 -5.347 -3.285 1.00 0.00 C ATOM 392 C THR A 55 5.420 -6.580 -2.567 1.00 0.00 C ATOM 393 O THR A 55 5.606 -7.628 -3.181 1.00 0.00 O ATOM 394 CB THR A 55 5.931 -4.305 -3.619 1.00 0.00 C ATOM 395 OG1 THR A 55 5.247 -3.351 -4.423 1.00 0.00 O ATOM 396 CG2 THR A 55 7.020 -4.859 -4.540 1.00 0.00 C ATOM 0 H THR A 55 4.053 -3.738 -2.214 1.00 0.00 H new ATOM 0 HA THR A 55 4.444 -5.716 -4.221 1.00 0.00 H new ATOM 0 HB THR A 55 6.385 -3.942 -2.697 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.001 -2.577 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.753 -4.079 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.513 -5.702 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.571 -5.191 -5.476 1.00 0.00 H new ATOM 397 N MET A 56 5.667 -6.411 -1.275 1.00 0.00 N ATOM 398 CA MET A 56 6.195 -7.497 -0.468 1.00 0.00 C ATOM 399 C MET A 56 5.157 -8.607 -0.292 1.00 0.00 C ATOM 400 O MET A 56 5.493 -9.788 -0.357 1.00 0.00 O ATOM 401 CB MET A 56 6.602 -6.959 0.906 1.00 0.00 C ATOM 402 CG MET A 56 7.906 -6.161 0.821 1.00 0.00 C ATOM 403 SD MET A 56 8.238 -5.360 2.380 1.00 0.00 S ATOM 404 CE MET A 56 8.992 -6.713 3.267 1.00 0.00 C ATOM 0 H MET A 56 5.511 -5.539 -0.769 1.00 0.00 H new ATOM 0 HA MET A 56 7.063 -7.915 -0.979 1.00 0.00 H new ATOM 0 HB2 MET A 56 5.809 -6.324 1.301 1.00 0.00 H new ATOM 0 HB3 MET A 56 6.724 -7.788 1.603 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.731 -6.824 0.561 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.834 -5.416 0.029 1.00 0.00 H new ATOM 0 HE1 MET A 56 9.264 -6.384 4.270 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.287 -7.541 3.335 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.887 -7.041 2.738 1.00 0.00 H new ATOM 405 N TYR A 57 3.920 -8.189 -0.077 1.00 0.00 N ATOM 406 CA TYR A 57 2.832 -9.136 0.104 1.00 0.00 C ATOM 407 C TYR A 57 2.619 -9.976 -1.153 1.00 0.00 C ATOM 408 O TYR A 57 2.216 -11.135 -1.069 1.00 0.00 O ATOM 409 CB TYR A 57 1.581 -8.293 0.358 1.00 0.00 C ATOM 410 CG TYR A 57 0.281 -9.103 0.389 1.00 0.00 C ATOM 411 CD1 TYR A 57 -0.081 -9.838 1.573 1.00 0.00 C ATOM 412 CD2 TYR A 57 -0.531 -9.125 -0.701 1.00 0.00 C ATOM 413 CE1 TYR A 57 -1.234 -10.559 1.600 1.00 0.00 C ATOM 414 CE2 TYR A 57 -1.752 -9.888 -0.673 1.00 0.00 C ATOM 415 CZ TYR A 57 -2.094 -10.585 0.444 1.00 0.00 C ATOM 416 OH TYR A 57 -3.246 -11.302 0.474 1.00 0.00 O ATOM 0 H TYR A 57 3.646 -7.208 -0.024 1.00 0.00 H new ATOM 0 HA TYR A 57 3.051 -9.820 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.694 -7.770 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.504 -7.532 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.563 -9.817 2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.261 -8.571 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.505 -11.112 2.487 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.397 -9.907 -1.539 1.00 0.00 H new ATOM 417 N LEU A 58 2.903 -9.361 -2.294 1.00 0.00 N ATOM 418 CA LEU A 58 2.749 -10.042 -3.570 1.00 0.00 C ATOM 419 C LEU A 58 3.975 -10.919 -3.827 1.00 0.00 C ATOM 420 O LEU A 58 3.859 -12.005 -4.392 1.00 0.00 O ATOM 421 CB LEU A 58 2.471 -9.034 -4.683 1.00 0.00 C ATOM 422 CG LEU A 58 1.333 -9.525 -5.580 1.00 0.00 C ATOM 423 CD1 LEU A 58 1.651 -10.905 -6.158 1.00 0.00 C ATOM 424 CD2 LEU A 58 -0.003 -9.508 -4.834 1.00 0.00 C ATOM 0 H LEU A 58 3.238 -8.400 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 58 1.883 -10.704 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.210 -8.068 -4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.372 -8.883 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 58 1.238 -8.837 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.827 -11.233 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.565 -10.850 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.788 -11.617 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.794 -9.862 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.059 -10.159 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.227 -8.491 -4.512 1.00 0.00 H new ATOM 425 N SER A 59 5.125 -10.412 -3.401 1.00 0.00 N ATOM 426 CA SER A 59 6.372 -11.137 -3.580 1.00 0.00 C ATOM 427 C SER A 59 6.413 -12.352 -2.650 1.00 0.00 C ATOM 428 O SER A 59 7.287 -13.204 -2.773 1.00 0.00 O ATOM 429 CB SER A 59 7.578 -10.231 -3.317 1.00 0.00 C ATOM 430 OG SER A 59 8.798 -10.832 -3.736 1.00 0.00 O ATOM 0 H SER A 59 5.218 -9.510 -2.934 1.00 0.00 H new ATOM 0 HA SER A 59 6.422 -11.477 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.442 -9.285 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.634 -10.001 -2.253 1.00 0.00 H new ATOM 0 HG SER A 59 8.717 -11.807 -3.685 1.00 0.00 H new ATOM 431 N MET A 60 5.445 -12.391 -1.740 1.00 0.00 N ATOM 432 CA MET A 60 5.360 -13.486 -0.789 1.00 0.00 C ATOM 433 C MET A 60 4.186 -14.407 -1.123 1.00 0.00 C ATOM 434 O MET A 60 4.326 -15.629 -1.101 1.00 0.00 O ATOM 435 CB MET A 60 5.185 -12.925 0.622 1.00 0.00 C ATOM 436 CG MET A 60 5.248 -14.041 1.668 1.00 0.00 C ATOM 437 SD MET A 60 5.240 -13.339 3.310 1.00 0.00 S ATOM 438 CE MET A 60 3.490 -13.041 3.509 1.00 0.00 C ATOM 0 H MET A 60 4.717 -11.683 -1.644 1.00 0.00 H new ATOM 0 HA MET A 60 6.281 -14.066 -0.845 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.963 -12.189 0.823 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.229 -12.407 0.695 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.398 -14.713 1.547 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.149 -14.637 1.523 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.335 -12.041 3.913 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.995 -13.122 2.541 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.071 -13.778 4.194 1.00 0.00 H new ATOM 439 N LEU A 61 3.053 -13.786 -1.423 1.00 0.00 N ATOM 440 CA LEU A 61 1.854 -14.537 -1.757 1.00 0.00 C ATOM 441 C LEU A 61 2.145 -15.446 -2.955 1.00 0.00 C ATOM 442 O LEU A 61 2.029 -16.666 -2.853 1.00 0.00 O ATOM 443 CB LEU A 61 0.676 -13.589 -1.981 1.00 0.00 C ATOM 444 CG LEU A 61 -0.568 -14.372 -2.416 1.00 0.00 C ATOM 445 CD1 LEU A 61 -1.072 -15.270 -1.283 1.00 0.00 C ATOM 446 CD2 LEU A 61 -1.655 -13.425 -2.929 1.00 0.00 C ATOM 0 H LEU A 61 2.941 -12.772 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 61 1.564 -15.182 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.465 -13.039 -1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.934 -12.852 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.294 -15.025 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.955 -15.815 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.291 -15.979 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.329 -14.657 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.528 -14.003 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.936 -12.731 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.276 -12.865 -3.784 1.00 0.00 H new ATOM 447 N LEU A 62 2.521 -14.817 -4.059 1.00 0.00 N ATOM 448 CA LEU A 62 2.830 -15.554 -5.272 1.00 0.00 C ATOM 449 C LEU A 62 4.189 -16.240 -5.115 1.00 0.00 C ATOM 450 O LEU A 62 4.376 -17.364 -5.572 1.00 0.00 O ATOM 451 CB LEU A 62 2.743 -14.635 -6.493 1.00 0.00 C ATOM 452 CG LEU A 62 2.041 -15.348 -7.649 1.00 0.00 C ATOM 453 CD1 LEU A 62 1.692 -14.366 -8.768 1.00 0.00 C ATOM 454 CD2 LEU A 62 2.876 -16.525 -8.157 1.00 0.00 C ATOM 0 H LEU A 62 2.619 -13.805 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 62 2.093 -16.340 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.199 -13.726 -6.234 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.744 -14.331 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 62 1.102 -15.758 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.194 -14.899 -9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.028 -13.593 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.605 -13.905 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.353 -17.014 -8.979 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.842 -16.162 -8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.028 -17.239 -7.348 1.00 0.00 H new ATOM 455 N GLY A 63 5.101 -15.530 -4.468 1.00 0.00 N ATOM 456 CA GLY A 63 6.438 -16.057 -4.243 1.00 0.00 C ATOM 457 C GLY A 63 7.368 -15.700 -5.406 1.00 0.00 C ATOM 458 O GLY A 63 7.494 -16.464 -6.360 1.00 0.00 O ATOM 0 H GLY A 63 4.942 -14.595 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.840 -15.654 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.392 -17.140 -4.128 1.00 0.00 H new ATOM 459 N TYR A 64 7.995 -14.541 -5.283 1.00 0.00 N ATOM 460 CA TYR A 64 8.911 -14.075 -6.310 1.00 0.00 C ATOM 461 C TYR A 64 10.311 -13.844 -5.736 1.00 0.00 C ATOM 462 O TYR A 64 11.223 -13.446 -6.455 1.00 0.00 O ATOM 463 CB TYR A 64 8.348 -12.737 -6.801 1.00 0.00 C ATOM 464 CG TYR A 64 7.347 -12.865 -7.948 1.00 0.00 C ATOM 465 CD1 TYR A 64 7.737 -13.511 -9.177 1.00 0.00 C ATOM 466 CD2 TYR A 64 6.087 -12.375 -7.811 1.00 0.00 C ATOM 467 CE1 TYR A 64 6.847 -13.626 -10.196 1.00 0.00 C ATOM 468 CE2 TYR A 64 5.144 -12.497 -8.893 1.00 0.00 C ATOM 469 CZ TYR A 64 5.514 -13.104 -10.049 1.00 0.00 C ATOM 470 OH TYR A 64 4.622 -13.222 -11.072 1.00 0.00 O ATOM 0 H TYR A 64 7.887 -13.910 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 64 8.998 -14.812 -7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.865 -12.230 -5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.174 -12.104 -7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.737 -13.903 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.792 -11.894 -6.890 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.139 -14.109 -11.117 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.143 -12.106 -8.784 1.00 0.00 H new ATOM 0 HH TYR A 64 3.768 -12.819 -10.810 1.00 0.00 H new ATOM 471 N GLY A 65 10.435 -14.105 -4.442 1.00 0.00 N ATOM 472 CA GLY A 65 11.706 -13.935 -3.760 1.00 0.00 C ATOM 473 C GLY A 65 11.574 -14.233 -2.266 1.00 0.00 C ATOM 474 O GLY A 65 12.426 -14.899 -1.685 1.00 0.00 O ATOM 0 H GLY A 65 9.674 -14.434 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.450 -14.597 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.064 -12.915 -3.900 1.00 0.00 H new ATOM 475 N LEU A 66 10.499 -13.719 -1.685 1.00 0.00 N ATOM 476 CA LEU A 66 10.242 -13.920 -0.273 1.00 0.00 C ATOM 477 C LEU A 66 10.048 -15.415 0.000 1.00 0.00 C ATOM 478 O LEU A 66 10.764 -15.998 0.811 1.00 0.00 O ATOM 479 CB LEU A 66 9.067 -13.056 0.190 1.00 0.00 C ATOM 480 CG LEU A 66 9.567 -11.718 0.733 1.00 0.00 C ATOM 481 CD1 LEU A 66 10.284 -10.917 -0.356 1.00 0.00 C ATOM 482 CD2 LEU A 66 8.427 -10.923 1.372 1.00 0.00 C ATOM 0 H LEU A 66 9.796 -13.162 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 66 11.099 -13.594 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.384 -12.885 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.504 -13.581 0.962 1.00 0.00 H new ATOM 0 HG LEU A 66 10.296 -11.920 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.630 -9.969 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.138 -11.486 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.596 -10.724 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.811 -9.976 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.655 -10.730 0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.001 -11.496 2.196 1.00 0.00 H new ATOM 483 N THR A 67 9.080 -15.990 -0.697 1.00 0.00 N ATOM 484 CA THR A 67 8.785 -17.404 -0.542 1.00 0.00 C ATOM 485 C THR A 67 9.824 -18.250 -1.280 1.00 0.00 C ATOM 486 O THR A 67 10.308 -19.249 -0.752 1.00 0.00 O ATOM 487 CB THR A 67 7.352 -17.645 -1.022 1.00 0.00 C ATOM 488 OG1 THR A 67 6.580 -16.687 -0.303 1.00 0.00 O ATOM 489 CG2 THR A 67 6.799 -18.993 -0.563 1.00 0.00 C ATOM 0 H THR A 67 8.490 -15.502 -1.371 1.00 0.00 H new ATOM 0 HA THR A 67 8.848 -17.708 0.503 1.00 0.00 H new ATOM 0 HB THR A 67 7.320 -17.594 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.688 -16.619 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.780 -19.113 -0.931 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.423 -19.795 -0.956 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.799 -19.034 0.526 1.00 0.00 H new ATOM 490 N MET A 68 10.138 -17.817 -2.495 1.00 0.00 N ATOM 491 CA MET A 68 11.111 -18.523 -3.311 1.00 0.00 C ATOM 492 C MET A 68 12.521 -17.969 -3.086 1.00 0.00 C ATOM 493 O MET A 68 12.989 -17.125 -3.851 1.00 0.00 O ATOM 494 CB MET A 68 10.735 -18.381 -4.787 1.00 0.00 C ATOM 495 CG MET A 68 9.411 -19.089 -5.084 1.00 0.00 C ATOM 496 SD MET A 68 9.115 -19.109 -6.846 1.00 0.00 S ATOM 497 CE MET A 68 7.516 -19.904 -6.881 1.00 0.00 C ATOM 0 H MET A 68 9.736 -16.988 -2.932 1.00 0.00 H new ATOM 0 HA MET A 68 11.105 -19.575 -3.024 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.653 -17.325 -5.046 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.525 -18.802 -5.410 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.439 -20.109 -4.699 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.593 -18.579 -4.575 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.179 -19.997 -7.913 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.592 -20.895 -6.433 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.800 -19.306 -6.318 1.00 0.00 H new ATOM 498 N VAL A 69 13.158 -18.464 -2.036 1.00 0.00 N ATOM 499 CA VAL A 69 14.503 -18.028 -1.702 1.00 0.00 C ATOM 500 C VAL A 69 15.512 -18.829 -2.530 1.00 0.00 C ATOM 501 O VAL A 69 15.242 -19.962 -2.920 1.00 0.00 O ATOM 502 CB VAL A 69 14.736 -18.153 -0.196 1.00 0.00 C ATOM 503 CG1 VAL A 69 13.609 -17.472 0.590 1.00 0.00 C ATOM 504 CG2 VAL A 69 14.886 -19.618 0.218 1.00 0.00 C ATOM 0 H VAL A 69 12.768 -19.163 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 69 14.636 -16.975 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 69 15.669 -17.642 0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.797 -17.574 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.570 -16.415 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 69 12.657 -17.942 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.051 -19.677 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 69 13.979 -20.164 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.736 -20.058 -0.304 1.00 0.00 H new ATOM 505 N PRO A 70 16.686 -18.187 -2.777 1.00 0.00 N ATOM 506 CA PRO A 70 17.736 -18.827 -3.552 1.00 0.00 C ATOM 507 C PRO A 70 18.455 -19.894 -2.727 1.00 0.00 C ATOM 508 CB PRO A 70 18.653 -17.693 -3.981 1.00 0.00 C ATOM 509 CG PRO A 70 18.343 -16.530 -3.049 1.00 0.00 C ATOM 510 CD PRO A 70 17.041 -16.843 -2.331 1.00 0.00 C ATOM 511 OXT PRO A 70 18.956 -20.874 -3.274 1.00 0.00 O ATOM 0 HA PRO A 70 17.351 -19.363 -4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 70 19.700 -17.987 -3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 70 18.475 -17.419 -5.021 1.00 0.00 H new ATOM 0 HG2 PRO A 70 19.151 -16.390 -2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 70 18.254 -15.602 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 70 17.166 -16.805 -1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 70 16.264 -16.123 -2.587 1.00 0.00 H new TER 512 PRO A 70