USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=9 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -37:sc= 0.989 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 69:sc= -23.8! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) 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 80:sc= 1.2 USER MOD Single : A 55 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.335 USER MOD Single : A 60 MET CE :methyl 168:sc= -25.3! (180deg=-25.8!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 148:sc= 0.527 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.284 -22.161 -13.379 1.00 0.00 N ATOM 2 CA ALA A 2 -5.308 -22.254 -12.308 1.00 0.00 C ATOM 3 C ALA A 2 -5.621 -21.201 -11.245 1.00 0.00 C ATOM 4 O ALA A 2 -5.648 -20.006 -11.540 1.00 0.00 O ATOM 5 CB ALA A 2 -3.900 -22.100 -12.886 1.00 0.00 C ATOM 0 HA ALA A 2 -5.358 -23.231 -11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.167 -22.170 -12.082 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.717 -22.891 -13.614 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.811 -21.130 -13.375 1.00 0.00 H new ATOM 6 N GLN A 3 -5.849 -21.679 -10.031 1.00 0.00 N ATOM 7 CA GLN A 3 -6.159 -20.792 -8.923 1.00 0.00 C ATOM 8 C GLN A 3 -5.753 -21.437 -7.597 1.00 0.00 C ATOM 9 O GLN A 3 -6.057 -22.604 -7.351 1.00 0.00 O ATOM 10 CB GLN A 3 -7.642 -20.416 -8.919 1.00 0.00 C ATOM 11 CG GLN A 3 -7.951 -19.410 -7.808 1.00 0.00 C ATOM 12 CD GLN A 3 -9.408 -18.950 -7.875 1.00 0.00 C ATOM 13 OE1 GLN A 3 -9.724 -17.870 -8.348 1.00 0.00 O ATOM 14 NE2 GLN A 3 -10.275 -19.826 -7.377 1.00 0.00 N ATOM 0 H GLN A 3 -5.825 -22.670 -9.790 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.586 -19.873 -9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.916 -19.991 -9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.247 -21.312 -8.782 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -7.753 -19.863 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.289 -18.548 -7.898 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -9.943 -20.712 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.272 -19.612 -7.376 1.00 0.00 H new ATOM 15 N ILE A 4 -5.072 -20.650 -6.776 1.00 0.00 N ATOM 16 CA ILE A 4 -4.622 -21.131 -5.480 1.00 0.00 C ATOM 17 C ILE A 4 -5.684 -20.815 -4.426 1.00 0.00 C ATOM 18 O ILE A 4 -5.702 -19.720 -3.866 1.00 0.00 O ATOM 19 CB ILE A 4 -3.240 -20.561 -5.149 1.00 0.00 C ATOM 20 CG1 ILE A 4 -2.259 -20.800 -6.298 1.00 0.00 C ATOM 21 CG2 ILE A 4 -2.720 -21.124 -3.825 1.00 0.00 C ATOM 22 CD1 ILE A 4 -2.145 -22.291 -6.623 1.00 0.00 C ATOM 0 H ILE A 4 -4.821 -19.683 -6.983 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.501 -22.214 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.335 -19.482 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.590 -20.256 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.278 -20.407 -6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.737 -20.704 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.409 -20.861 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.643 -22.209 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.441 -22.432 -7.443 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.790 -22.829 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.123 -22.676 -6.914 1.00 0.00 H new ATOM 23 N THR A 5 -6.545 -21.794 -4.188 1.00 0.00 N ATOM 24 CA THR A 5 -7.608 -21.634 -3.211 1.00 0.00 C ATOM 25 C THR A 5 -7.616 -22.812 -2.234 1.00 0.00 C ATOM 26 O THR A 5 -8.627 -23.077 -1.583 1.00 0.00 O ATOM 27 CB THR A 5 -8.926 -21.465 -3.970 1.00 0.00 C ATOM 28 OG1 THR A 5 -9.903 -21.315 -2.943 1.00 0.00 O ATOM 29 CG2 THR A 5 -9.348 -22.739 -4.703 1.00 0.00 C ATOM 0 H THR A 5 -6.528 -22.701 -4.655 1.00 0.00 H new ATOM 0 HA THR A 5 -7.452 -20.746 -2.599 1.00 0.00 H new ATOM 0 HB THR A 5 -8.829 -20.650 -4.687 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.679 -21.901 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.289 -22.564 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.579 -23.015 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.477 -23.547 -3.983 1.00 0.00 H new ATOM 30 N GLY A 6 -6.480 -23.489 -2.164 1.00 0.00 N ATOM 31 CA GLY A 6 -6.344 -24.633 -1.278 1.00 0.00 C ATOM 32 C GLY A 6 -5.917 -24.193 0.124 1.00 0.00 C ATOM 33 O GLY A 6 -6.535 -24.579 1.114 1.00 0.00 O ATOM 0 H GLY A 6 -5.645 -23.268 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.292 -25.169 -1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.609 -25.327 -1.685 1.00 0.00 H new ATOM 34 N ARG A 7 -4.863 -23.391 0.162 1.00 0.00 N ATOM 35 CA ARG A 7 -4.346 -22.894 1.426 1.00 0.00 C ATOM 36 C ARG A 7 -5.014 -21.566 1.788 1.00 0.00 C ATOM 37 O ARG A 7 -4.985 -20.618 1.003 1.00 0.00 O ATOM 38 CB ARG A 7 -2.831 -22.692 1.360 1.00 0.00 C ATOM 39 CG ARG A 7 -2.095 -24.026 1.508 1.00 0.00 C ATOM 40 CD ARG A 7 -1.839 -24.350 2.981 1.00 0.00 C ATOM 41 NE ARG A 7 -0.916 -23.351 3.569 1.00 0.00 N ATOM 42 CZ ARG A 7 0.409 -23.350 3.376 1.00 0.00 C ATOM 43 NH1 ARG A 7 0.976 -24.293 2.612 1.00 0.00 N ATOM 44 NH2 ARG A 7 1.168 -22.404 3.948 1.00 0.00 N ATOM 0 H ARG A 7 -4.353 -23.073 -0.662 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.570 -23.638 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.563 -22.228 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.516 -22.009 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.684 -24.823 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.147 -23.984 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.781 -24.354 3.530 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.413 -25.349 3.073 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.315 -22.619 4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.398 -25.012 2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.985 -24.292 2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.736 -21.686 4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.177 -22.402 3.802 1.00 0.00 H new ATOM 45 N PRO A 8 -5.617 -21.538 3.007 1.00 0.00 N ATOM 46 CA PRO A 8 -6.291 -20.343 3.482 1.00 0.00 C ATOM 47 C PRO A 8 -5.285 -19.235 3.799 1.00 0.00 C ATOM 48 O PRO A 8 -5.645 -18.059 3.847 1.00 0.00 O ATOM 49 CB PRO A 8 -7.082 -20.794 4.699 1.00 0.00 C ATOM 50 CG PRO A 8 -6.371 -22.032 5.222 1.00 0.00 C ATOM 51 CD PRO A 8 -5.536 -22.604 4.088 1.00 0.00 C ATOM 0 HA PRO A 8 -6.953 -19.908 2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.112 -20.011 5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.114 -21.020 4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.738 -21.778 6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.094 -22.768 5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.506 -22.781 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.933 -23.558 3.740 1.00 0.00 H new ATOM 52 N GLU A 9 -4.045 -19.649 4.007 1.00 0.00 N ATOM 53 CA GLU A 9 -2.983 -18.707 4.318 1.00 0.00 C ATOM 54 C GLU A 9 -2.628 -17.879 3.082 1.00 0.00 C ATOM 55 O GLU A 9 -2.290 -16.700 3.195 1.00 0.00 O ATOM 56 CB GLU A 9 -1.751 -19.429 4.866 1.00 0.00 C ATOM 57 CG GLU A 9 -0.665 -18.432 5.273 1.00 0.00 C ATOM 58 CD GLU A 9 0.510 -19.143 5.947 1.00 0.00 C ATOM 59 OE1 GLU A 9 0.998 -20.160 5.431 1.00 0.00 O ATOM 60 OE2 GLU A 9 0.973 -18.704 7.010 1.00 0.00 O ATOM 0 H GLU A 9 -3.751 -20.625 3.966 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.342 -18.030 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.034 -20.035 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.359 -20.110 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.312 -17.894 4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.084 -17.690 5.953 1.00 0.00 H new ATOM 61 N TRP A 10 -2.719 -18.525 1.930 1.00 0.00 N ATOM 62 CA TRP A 10 -2.412 -17.863 0.673 1.00 0.00 C ATOM 63 C TRP A 10 -3.531 -16.860 0.382 1.00 0.00 C ATOM 64 O TRP A 10 -3.280 -15.786 -0.164 1.00 0.00 O ATOM 65 CB TRP A 10 -2.218 -18.883 -0.450 1.00 0.00 C ATOM 66 CG TRP A 10 -1.727 -18.273 -1.766 1.00 0.00 C ATOM 67 CD1 TRP A 10 -0.468 -18.188 -2.217 1.00 0.00 C ATOM 68 CD2 TRP A 10 -2.499 -17.664 -2.793 1.00 0.00 C ATOM 69 NE1 TRP A 10 -0.414 -17.571 -3.451 1.00 0.00 N ATOM 70 CE2 TRP A 10 -1.717 -17.241 -3.808 1.00 0.00 C ATOM 71 CE3 TRP A 10 -3.896 -17.478 -2.843 1.00 0.00 C ATOM 72 CZ2 TRP A 10 -2.186 -16.602 -4.962 1.00 0.00 C ATOM 73 CZ3 TRP A 10 -4.366 -16.841 -3.998 1.00 0.00 C ATOM 74 CH2 TRP A 10 -3.560 -16.404 -5.042 1.00 0.00 C ATOM 0 H TRP A 10 -3.001 -19.501 1.840 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.468 -17.322 0.742 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.503 -19.638 -0.122 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.163 -19.395 -0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.396 -18.556 -1.683 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.427 -17.390 -4.000 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.554 -17.802 -2.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.517 -16.281 -5.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.430 -16.678 -4.083 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.994 -15.918 -5.903 1.00 0.00 H new ATOM 75 N ILE A 11 -4.741 -17.245 0.760 1.00 0.00 N ATOM 76 CA ILE A 11 -5.898 -16.393 0.546 1.00 0.00 C ATOM 77 C ILE A 11 -5.826 -15.195 1.495 1.00 0.00 C ATOM 78 O ILE A 11 -6.187 -14.080 1.122 1.00 0.00 O ATOM 79 CB ILE A 11 -7.190 -17.202 0.677 1.00 0.00 C ATOM 80 CG1 ILE A 11 -7.299 -18.246 -0.436 1.00 0.00 C ATOM 81 CG2 ILE A 11 -8.412 -16.281 0.720 1.00 0.00 C ATOM 82 CD1 ILE A 11 -7.823 -17.616 -1.729 1.00 0.00 C ATOM 0 H ILE A 11 -4.945 -18.136 1.213 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.897 -15.997 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.160 -17.742 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.322 -18.695 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.966 -19.049 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.317 -16.881 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.332 -15.610 1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.458 -15.695 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.891 -18.379 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.810 -17.190 -1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.141 -16.830 -2.053 1.00 0.00 H new ATOM 83 N TRP A 12 -5.357 -15.466 2.704 1.00 0.00 N ATOM 84 CA TRP A 12 -5.234 -14.423 3.709 1.00 0.00 C ATOM 85 C TRP A 12 -4.136 -13.459 3.255 1.00 0.00 C ATOM 86 O TRP A 12 -4.251 -12.249 3.447 1.00 0.00 O ATOM 87 CB TRP A 12 -4.969 -15.024 5.092 1.00 0.00 C ATOM 88 CG TRP A 12 -4.584 -13.993 6.154 1.00 0.00 C ATOM 89 CD1 TRP A 12 -5.397 -13.296 6.961 1.00 0.00 C ATOM 90 CD2 TRP A 12 -3.283 -13.548 6.516 1.00 0.00 C ATOM 91 NE1 TRP A 12 -4.684 -12.457 7.794 1.00 0.00 N ATOM 92 CE2 TRP A 12 -3.337 -12.625 7.500 1.00 0.00 C ATOM 93 CE3 TRP A 12 -2.040 -13.951 5.984 1.00 0.00 C ATOM 94 CZ2 TRP A 12 -2.219 -12.001 8.068 1.00 0.00 C ATOM 95 CZ3 TRP A 12 -0.923 -13.327 6.551 1.00 0.00 C ATOM 96 CH2 TRP A 12 -0.979 -12.378 7.565 1.00 0.00 C ATOM 0 H TRP A 12 -5.058 -16.392 3.010 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.167 -13.868 3.807 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.861 -15.556 5.423 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.171 -15.761 5.010 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -6.474 -13.380 6.960 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -5.075 -11.829 8.496 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.957 -14.686 5.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.315 -11.267 8.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.051 -13.602 6.174 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -0.073 -11.940 7.956 1.00 0.00 H new ATOM 97 N LEU A 13 -3.096 -14.029 2.666 1.00 0.00 N ATOM 98 CA LEU A 13 -1.979 -13.235 2.185 1.00 0.00 C ATOM 99 C LEU A 13 -2.446 -12.359 1.020 1.00 0.00 C ATOM 100 O LEU A 13 -2.100 -11.181 0.945 1.00 0.00 O ATOM 101 CB LEU A 13 -0.791 -14.135 1.837 1.00 0.00 C ATOM 102 CG LEU A 13 0.418 -13.293 1.427 1.00 0.00 C ATOM 103 CD1 LEU A 13 1.686 -13.768 2.138 1.00 0.00 C ATOM 104 CD2 LEU A 13 0.585 -13.278 -0.094 1.00 0.00 C ATOM 0 H LEU A 13 -3.003 -15.033 2.511 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.624 -12.565 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.535 -14.756 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.064 -14.809 1.025 1.00 0.00 H new ATOM 0 HG LEU A 13 0.240 -12.265 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.530 -13.152 1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.552 -13.683 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.881 -14.808 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.452 -12.672 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.730 -14.296 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.308 -12.854 -0.554 1.00 0.00 H new ATOM 105 N ALA A 14 -3.225 -12.970 0.138 1.00 0.00 N ATOM 106 CA ALA A 14 -3.743 -12.261 -1.020 1.00 0.00 C ATOM 107 C ALA A 14 -4.664 -11.132 -0.551 1.00 0.00 C ATOM 108 O ALA A 14 -4.660 -10.044 -1.126 1.00 0.00 O ATOM 109 CB ALA A 14 -4.457 -13.247 -1.946 1.00 0.00 C ATOM 0 H ALA A 14 -3.510 -13.947 0.202 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.930 -11.810 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.845 -12.715 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.754 -14.012 -2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.281 -13.718 -1.410 1.00 0.00 H new ATOM 110 N LEU A 15 -5.429 -11.430 0.489 1.00 0.00 N ATOM 111 CA LEU A 15 -6.352 -10.452 1.041 1.00 0.00 C ATOM 112 C LEU A 15 -5.560 -9.283 1.632 1.00 0.00 C ATOM 113 O LEU A 15 -5.938 -8.125 1.464 1.00 0.00 O ATOM 114 CB LEU A 15 -7.300 -11.117 2.041 1.00 0.00 C ATOM 115 CG LEU A 15 -8.386 -10.135 2.486 1.00 0.00 C ATOM 116 CD1 LEU A 15 -9.518 -10.065 1.460 1.00 0.00 C ATOM 117 CD2 LEU A 15 -8.898 -10.480 3.886 1.00 0.00 C ATOM 0 H LEU A 15 -5.429 -12.333 0.963 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.987 -10.043 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.759 -11.995 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.738 -11.464 2.908 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.944 -9.140 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.276 -9.360 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.120 -9.733 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.966 -11.052 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.669 -9.767 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.317 -11.486 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.073 -10.433 4.597 1.00 0.00 H new ATOM 118 N GLY A 16 -4.475 -9.628 2.309 1.00 0.00 N ATOM 119 CA GLY A 16 -3.626 -8.623 2.924 1.00 0.00 C ATOM 120 C GLY A 16 -2.969 -7.737 1.865 1.00 0.00 C ATOM 121 O GLY A 16 -2.863 -6.523 2.043 1.00 0.00 O ATOM 0 H GLY A 16 -4.164 -10.590 2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.218 -8.008 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.857 -9.109 3.524 1.00 0.00 H new ATOM 122 N THR A 17 -2.545 -8.375 0.785 1.00 0.00 N ATOM 123 CA THR A 17 -1.900 -7.661 -0.304 1.00 0.00 C ATOM 124 C THR A 17 -2.907 -6.752 -1.013 1.00 0.00 C ATOM 125 O THR A 17 -2.556 -5.661 -1.459 1.00 0.00 O ATOM 126 CB THR A 17 -1.255 -8.693 -1.231 1.00 0.00 C ATOM 127 OG1 THR A 17 -0.420 -9.460 -0.368 1.00 0.00 O ATOM 128 CG2 THR A 17 -0.280 -8.057 -2.225 1.00 0.00 C ATOM 0 H THR A 17 -2.636 -9.381 0.640 1.00 0.00 H new ATOM 0 HA THR A 17 -1.115 -7.001 0.065 1.00 0.00 H new ATOM 0 HB THR A 17 -2.032 -9.228 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.150 -8.832 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.812 -7.335 -2.845 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.517 -7.551 -1.680 1.00 0.00 H new ATOM 129 N ALA A 18 -4.137 -7.236 -1.096 1.00 0.00 N ATOM 130 CA ALA A 18 -5.196 -6.481 -1.744 1.00 0.00 C ATOM 131 C ALA A 18 -5.601 -5.308 -0.848 1.00 0.00 C ATOM 132 O ALA A 18 -5.954 -4.238 -1.344 1.00 0.00 O ATOM 133 CB ALA A 18 -6.371 -7.410 -2.052 1.00 0.00 C ATOM 0 H ALA A 18 -4.424 -8.142 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.849 -6.069 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.165 -6.843 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.039 -8.210 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.748 -7.840 -1.124 1.00 0.00 H new ATOM 134 N LEU A 19 -5.534 -5.547 0.453 1.00 0.00 N ATOM 135 CA LEU A 19 -5.890 -4.524 1.421 1.00 0.00 C ATOM 136 C LEU A 19 -4.867 -3.387 1.355 1.00 0.00 C ATOM 137 O LEU A 19 -5.235 -2.223 1.213 1.00 0.00 O ATOM 138 CB LEU A 19 -6.039 -5.135 2.816 1.00 0.00 C ATOM 139 CG LEU A 19 -6.356 -4.049 3.845 1.00 0.00 C ATOM 140 CD1 LEU A 19 -7.739 -3.443 3.596 1.00 0.00 C ATOM 141 CD2 LEU A 19 -6.212 -4.585 5.270 1.00 0.00 C ATOM 0 H LEU A 19 -5.238 -6.435 0.860 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.862 -4.094 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.833 -5.881 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.120 -5.650 3.094 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.628 -3.246 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.939 -2.674 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.768 -3.000 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.497 -4.223 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.443 -3.793 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.901 -5.417 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.190 -4.928 5.428 1.00 0.00 H new ATOM 142 N MET A 20 -3.602 -3.767 1.460 1.00 0.00 N ATOM 143 CA MET A 20 -2.523 -2.795 1.412 1.00 0.00 C ATOM 144 C MET A 20 -2.447 -2.125 0.038 1.00 0.00 C ATOM 145 O MET A 20 -2.102 -0.950 -0.064 1.00 0.00 O ATOM 146 CB MET A 20 -1.195 -3.491 1.717 1.00 0.00 C ATOM 147 CG MET A 20 -1.085 -3.840 3.202 1.00 0.00 C ATOM 148 SD MET A 20 0.533 -4.507 3.555 1.00 0.00 S ATOM 149 CE MET A 20 0.255 -6.223 3.145 1.00 0.00 C ATOM 0 H MET A 20 -3.300 -4.734 1.578 1.00 0.00 H new ATOM 0 HA MET A 20 -2.719 -2.025 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.111 -4.399 1.120 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.367 -2.843 1.430 1.00 0.00 H new ATOM 0 HG2 MET A 20 -1.260 -2.950 3.807 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.853 -4.565 3.471 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.172 -6.789 3.309 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.537 -6.624 3.777 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.039 -6.304 2.099 1.00 0.00 H new ATOM 150 N GLY A 21 -2.773 -2.905 -0.983 1.00 0.00 N ATOM 151 CA GLY A 21 -2.746 -2.403 -2.345 1.00 0.00 C ATOM 152 C GLY A 21 -3.836 -1.352 -2.565 1.00 0.00 C ATOM 153 O GLY A 21 -3.600 -0.332 -3.210 1.00 0.00 O ATOM 0 H GLY A 21 -3.057 -3.881 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.769 -1.968 -2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.886 -3.228 -3.043 1.00 0.00 H new ATOM 154 N LEU A 22 -5.008 -1.641 -2.017 1.00 0.00 N ATOM 155 CA LEU A 22 -6.137 -0.734 -2.145 1.00 0.00 C ATOM 156 C LEU A 22 -5.854 0.541 -1.347 1.00 0.00 C ATOM 157 O LEU A 22 -6.158 1.643 -1.802 1.00 0.00 O ATOM 158 CB LEU A 22 -7.435 -1.435 -1.743 1.00 0.00 C ATOM 159 CG LEU A 22 -8.612 -0.459 -1.805 1.00 0.00 C ATOM 160 CD1 LEU A 22 -8.863 0.007 -3.240 1.00 0.00 C ATOM 161 CD2 LEU A 22 -9.864 -1.069 -1.172 1.00 0.00 C ATOM 0 H LEU A 22 -5.200 -2.489 -1.484 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.271 -0.437 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.620 -2.280 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.341 -1.837 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.354 0.424 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.705 0.700 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.973 0.508 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.090 -0.855 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.685 -0.355 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.136 -1.979 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.664 -1.309 -0.128 1.00 0.00 H new ATOM 162 N GLY A 23 -5.276 0.349 -0.169 1.00 0.00 N ATOM 163 CA GLY A 23 -4.949 1.469 0.696 1.00 0.00 C ATOM 164 C GLY A 23 -3.912 2.383 0.041 1.00 0.00 C ATOM 165 O GLY A 23 -3.998 3.605 0.152 1.00 0.00 O ATOM 0 H GLY A 23 -5.026 -0.566 0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.852 2.038 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.564 1.099 1.646 1.00 0.00 H new ATOM 166 N THR A 24 -2.955 1.756 -0.630 1.00 0.00 N ATOM 167 CA THR A 24 -1.904 2.500 -1.301 1.00 0.00 C ATOM 168 C THR A 24 -2.468 3.249 -2.509 1.00 0.00 C ATOM 169 O THR A 24 -2.091 4.391 -2.769 1.00 0.00 O ATOM 170 CB THR A 24 -0.789 1.516 -1.664 1.00 0.00 C ATOM 171 OG1 THR A 24 -0.340 1.020 -0.405 1.00 0.00 O ATOM 172 CG2 THR A 24 0.440 2.213 -2.250 1.00 0.00 C ATOM 0 H THR A 24 -2.887 0.742 -0.722 1.00 0.00 H new ATOM 0 HA THR A 24 -1.484 3.267 -0.650 1.00 0.00 H new ATOM 0 HB THR A 24 -1.168 0.787 -2.380 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.035 0.454 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.200 1.470 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.157 2.748 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.840 2.919 -1.522 1.00 0.00 H new ATOM 173 N LEU A 25 -3.366 2.576 -3.217 1.00 0.00 N ATOM 174 CA LEU A 25 -3.986 3.166 -4.391 1.00 0.00 C ATOM 175 C LEU A 25 -4.815 4.381 -3.970 1.00 0.00 C ATOM 176 O LEU A 25 -4.770 5.423 -4.621 1.00 0.00 O ATOM 177 CB LEU A 25 -4.789 2.112 -5.157 1.00 0.00 C ATOM 178 CG LEU A 25 -5.373 2.711 -6.440 1.00 0.00 C ATOM 179 CD1 LEU A 25 -5.132 1.789 -7.635 1.00 0.00 C ATOM 180 CD2 LEU A 25 -6.855 3.047 -6.261 1.00 0.00 C ATOM 0 H LEU A 25 -3.678 1.629 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.225 3.524 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.148 1.265 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.593 1.731 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.854 3.647 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.557 2.238 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.060 1.645 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.607 0.825 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.246 3.471 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.407 2.140 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.969 3.770 -5.454 1.00 0.00 H new ATOM 181 N TYR A 26 -5.550 4.208 -2.881 1.00 0.00 N ATOM 182 CA TYR A 26 -6.386 5.278 -2.364 1.00 0.00 C ATOM 183 C TYR A 26 -5.536 6.455 -1.883 1.00 0.00 C ATOM 184 O TYR A 26 -5.917 7.613 -2.051 1.00 0.00 O ATOM 185 CB TYR A 26 -7.138 4.686 -1.170 1.00 0.00 C ATOM 186 CG TYR A 26 -7.971 5.707 -0.392 1.00 0.00 C ATOM 187 CD1 TYR A 26 -9.287 6.065 -0.854 1.00 0.00 C ATOM 188 CD2 TYR A 26 -7.468 6.278 0.736 1.00 0.00 C ATOM 189 CE1 TYR A 26 -10.027 6.972 -0.162 1.00 0.00 C ATOM 190 CE2 TYR A 26 -8.251 7.237 1.468 1.00 0.00 C ATOM 191 CZ TYR A 26 -9.495 7.575 1.033 1.00 0.00 C ATOM 192 OH TYR A 26 -10.235 8.482 1.725 1.00 0.00 O ATOM 0 H TYR A 26 -5.584 3.342 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.057 5.649 -3.139 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.794 3.891 -1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.419 4.227 -0.492 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.686 5.613 -1.750 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.480 6.011 1.082 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.014 7.240 -0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.851 7.689 2.364 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.729 8.790 2.506 1.00 0.00 H new ATOM 193 N PHE A 27 -4.397 6.120 -1.292 1.00 0.00 N ATOM 194 CA PHE A 27 -3.490 7.134 -0.786 1.00 0.00 C ATOM 195 C PHE A 27 -2.896 7.961 -1.929 1.00 0.00 C ATOM 196 O PHE A 27 -2.689 9.164 -1.787 1.00 0.00 O ATOM 197 CB PHE A 27 -2.357 6.401 -0.063 1.00 0.00 C ATOM 198 CG PHE A 27 -1.272 7.324 0.491 1.00 0.00 C ATOM 199 CD1 PHE A 27 -1.471 7.982 1.663 1.00 0.00 C ATOM 200 CD2 PHE A 27 -0.055 7.495 -0.221 1.00 0.00 C ATOM 201 CE1 PHE A 27 -0.462 8.840 2.176 1.00 0.00 C ATOM 202 CE2 PHE A 27 0.912 8.317 0.271 1.00 0.00 C ATOM 203 CZ PHE A 27 0.703 9.005 1.496 1.00 0.00 C ATOM 0 H PHE A 27 -4.083 5.160 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.026 7.813 -0.122 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.779 5.821 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.899 5.692 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.396 7.853 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.103 6.973 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.621 9.362 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.838 8.446 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.469 9.658 1.887 1.00 0.00 H new ATOM 204 N LEU A 28 -2.640 7.280 -3.037 1.00 0.00 N ATOM 205 CA LEU A 28 -2.075 7.936 -4.204 1.00 0.00 C ATOM 206 C LEU A 28 -3.129 8.852 -4.829 1.00 0.00 C ATOM 207 O LEU A 28 -2.831 9.988 -5.197 1.00 0.00 O ATOM 208 CB LEU A 28 -1.506 6.902 -5.176 1.00 0.00 C ATOM 209 CG LEU A 28 -0.231 6.277 -4.609 1.00 0.00 C ATOM 210 CD1 LEU A 28 0.030 4.902 -5.228 1.00 0.00 C ATOM 211 CD2 LEU A 28 0.965 7.218 -4.779 1.00 0.00 C ATOM 0 H LEU A 28 -2.813 6.281 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.234 8.567 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.247 6.125 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.291 7.375 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.373 6.126 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.943 4.481 -4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.809 4.240 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.142 5.004 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.859 6.749 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.118 7.424 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.771 8.152 -4.253 1.00 0.00 H new ATOM 212 N VAL A 29 -4.340 8.325 -4.930 1.00 0.00 N ATOM 213 CA VAL A 29 -5.440 9.081 -5.503 1.00 0.00 C ATOM 214 C VAL A 29 -5.739 10.292 -4.617 1.00 0.00 C ATOM 215 O VAL A 29 -6.068 11.366 -5.118 1.00 0.00 O ATOM 216 CB VAL A 29 -6.656 8.170 -5.700 1.00 0.00 C ATOM 217 CG1 VAL A 29 -7.920 8.993 -5.950 1.00 0.00 C ATOM 218 CG2 VAL A 29 -6.415 7.174 -6.835 1.00 0.00 C ATOM 0 H VAL A 29 -4.584 7.383 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.169 9.459 -6.489 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.803 7.601 -4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.769 8.323 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.105 9.644 -5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.788 9.599 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.293 6.539 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.231 7.717 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.549 6.555 -6.598 1.00 0.00 H new ATOM 219 N LYS A 30 -5.611 10.079 -3.316 1.00 0.00 N ATOM 220 CA LYS A 30 -5.862 11.140 -2.356 1.00 0.00 C ATOM 221 C LYS A 30 -4.736 12.171 -2.436 1.00 0.00 C ATOM 222 O LYS A 30 -4.972 13.367 -2.267 1.00 0.00 O ATOM 223 CB LYS A 30 -6.064 10.558 -0.955 1.00 0.00 C ATOM 224 CG LYS A 30 -6.432 11.654 0.047 1.00 0.00 C ATOM 225 CD LYS A 30 -6.751 11.058 1.419 1.00 0.00 C ATOM 226 CE LYS A 30 -7.208 12.144 2.395 1.00 0.00 C ATOM 227 NZ LYS A 30 -6.049 12.931 2.873 1.00 0.00 N ATOM 0 H LYS A 30 -5.337 9.187 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.789 11.660 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.851 9.805 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.152 10.056 -0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.608 12.361 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.293 12.213 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.530 10.302 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.869 10.556 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.926 12.803 1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.720 11.688 3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.376 13.664 3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.378 12.301 3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.577 13.381 2.063 1.00 0.00 H new ATOM 228 N GLY A 31 -3.536 11.672 -2.692 1.00 0.00 N ATOM 229 CA GLY A 31 -2.374 12.536 -2.798 1.00 0.00 C ATOM 230 C GLY A 31 -2.464 13.432 -4.034 1.00 0.00 C ATOM 231 O GLY A 31 -2.080 14.600 -3.988 1.00 0.00 O ATOM 0 H GLY A 31 -3.344 10.680 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.293 13.153 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.470 11.930 -2.850 1.00 0.00 H new ATOM 232 N MET A 32 -2.976 12.852 -5.110 1.00 0.00 N ATOM 233 CA MET A 32 -3.123 13.583 -6.356 1.00 0.00 C ATOM 234 C MET A 32 -4.330 14.522 -6.302 1.00 0.00 C ATOM 235 O MET A 32 -4.293 15.620 -6.855 1.00 0.00 O ATOM 236 CB MET A 32 -3.297 12.595 -7.511 1.00 0.00 C ATOM 237 CG MET A 32 -2.019 11.783 -7.735 1.00 0.00 C ATOM 238 SD MET A 32 -1.387 12.081 -9.378 1.00 0.00 S ATOM 239 CE MET A 32 -0.656 13.692 -9.140 1.00 0.00 C ATOM 0 H MET A 32 -3.294 11.883 -5.144 1.00 0.00 H new ATOM 0 HA MET A 32 -2.226 14.183 -6.511 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.127 11.922 -7.297 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.553 13.136 -8.422 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.269 12.057 -6.993 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.225 10.721 -7.603 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.212 14.032 -10.076 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.425 14.398 -8.826 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.116 13.632 -8.373 1.00 0.00 H new ATOM 240 N GLY A 33 -5.372 14.057 -5.629 1.00 0.00 N ATOM 241 CA GLY A 33 -6.588 14.841 -5.494 1.00 0.00 C ATOM 242 C GLY A 33 -6.378 16.018 -4.540 1.00 0.00 C ATOM 243 O GLY A 33 -6.428 17.176 -4.956 1.00 0.00 O ATOM 0 H GLY A 33 -5.399 13.146 -5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.897 15.211 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.394 14.208 -5.124 1.00 0.00 H new ATOM 244 N VAL A 34 -6.147 15.683 -3.279 1.00 0.00 N ATOM 245 CA VAL A 34 -5.929 16.698 -2.262 1.00 0.00 C ATOM 246 C VAL A 34 -6.829 17.902 -2.549 1.00 0.00 C ATOM 247 O VAL A 34 -6.375 18.903 -3.101 1.00 0.00 O ATOM 248 CB VAL A 34 -4.446 17.062 -2.196 1.00 0.00 C ATOM 249 CG1 VAL A 34 -3.895 17.376 -3.590 1.00 0.00 C ATOM 250 CG2 VAL A 34 -4.209 18.231 -1.236 1.00 0.00 C ATOM 0 H VAL A 34 -6.106 14.722 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.200 16.317 -1.277 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.906 16.197 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.838 17.632 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.012 16.503 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.442 18.217 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.146 18.469 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.767 19.102 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.545 17.955 -0.237 1.00 0.00 H new ATOM 251 N PRO A 37 10.490 18.493 -0.595 1.00 0.00 N ATOM 252 CA PRO A 37 11.519 19.010 0.292 1.00 0.00 C ATOM 253 C PRO A 37 11.536 18.249 1.616 1.00 0.00 C ATOM 254 O PRO A 37 12.582 17.770 2.047 1.00 0.00 O ATOM 255 CB PRO A 37 11.187 20.486 0.458 1.00 0.00 C ATOM 256 CG PRO A 37 9.733 20.634 0.040 1.00 0.00 C ATOM 257 CD PRO A 37 9.322 19.364 -0.688 1.00 0.00 C ATOM 0 HA PRO A 37 12.524 18.883 -0.110 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.331 20.805 1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.837 21.105 -0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.100 20.795 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.609 21.502 -0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.448 18.906 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.062 19.569 -1.726 1.00 0.00 H new ATOM 258 N ASP A 38 10.362 18.161 2.228 1.00 0.00 N ATOM 259 CA ASP A 38 10.230 17.466 3.498 1.00 0.00 C ATOM 260 C ASP A 38 8.776 17.034 3.687 1.00 0.00 C ATOM 261 O ASP A 38 8.504 15.872 3.984 1.00 0.00 O ATOM 262 CB ASP A 38 10.612 18.378 4.667 1.00 0.00 C ATOM 263 CG ASP A 38 12.096 18.727 4.759 1.00 0.00 C ATOM 264 OD1 ASP A 38 12.923 17.901 5.177 1.00 0.00 O ATOM 265 OD2 ASP A 38 12.511 19.844 4.417 1.00 0.00 O ATOM 0 H ASP A 38 9.495 18.559 1.868 1.00 0.00 H new ATOM 0 HA ASP A 38 10.896 16.603 3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.041 19.303 4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.310 17.896 5.597 1.00 0.00 H new ATOM 266 N ALA A 39 7.879 17.994 3.508 1.00 0.00 N ATOM 267 CA ALA A 39 6.458 17.726 3.656 1.00 0.00 C ATOM 268 C ALA A 39 6.017 16.725 2.586 1.00 0.00 C ATOM 269 O ALA A 39 5.430 15.694 2.901 1.00 0.00 O ATOM 270 CB ALA A 39 5.680 19.041 3.578 1.00 0.00 C ATOM 0 H ALA A 39 8.109 18.957 3.262 1.00 0.00 H new ATOM 0 HA ALA A 39 6.251 17.281 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.614 18.840 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.009 19.706 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.862 19.514 2.613 1.00 0.00 H new ATOM 271 N LYS A 40 6.319 17.067 1.343 1.00 0.00 N ATOM 272 CA LYS A 40 5.962 16.210 0.225 1.00 0.00 C ATOM 273 C LYS A 40 6.776 14.917 0.297 1.00 0.00 C ATOM 274 O LYS A 40 6.329 13.872 -0.173 1.00 0.00 O ATOM 275 CB LYS A 40 6.122 16.963 -1.098 1.00 0.00 C ATOM 276 CG LYS A 40 5.085 18.084 -1.220 1.00 0.00 C ATOM 277 CD LYS A 40 5.379 18.971 -2.431 1.00 0.00 C ATOM 278 CE LYS A 40 5.091 18.231 -3.738 1.00 0.00 C ATOM 279 NZ LYS A 40 5.197 19.152 -4.890 1.00 0.00 N ATOM 0 H LYS A 40 6.806 17.925 1.085 1.00 0.00 H new ATOM 0 HA LYS A 40 4.911 15.928 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.126 17.383 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.012 16.269 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.088 17.654 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.088 18.688 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.772 19.875 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.422 19.286 -2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.794 17.407 -3.858 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.092 17.796 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.998 18.633 -5.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.509 19.925 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.158 19.547 -4.931 1.00 0.00 H new ATOM 280 N LYS A 41 7.956 15.032 0.887 1.00 0.00 N ATOM 281 CA LYS A 41 8.836 13.883 1.027 1.00 0.00 C ATOM 282 C LYS A 41 8.175 12.844 1.934 1.00 0.00 C ATOM 283 O LYS A 41 8.102 11.667 1.586 1.00 0.00 O ATOM 284 CB LYS A 41 10.221 14.325 1.508 1.00 0.00 C ATOM 285 CG LYS A 41 11.250 13.208 1.320 1.00 0.00 C ATOM 286 CD LYS A 41 12.020 13.388 0.009 1.00 0.00 C ATOM 287 CE LYS A 41 13.225 14.310 0.206 1.00 0.00 C ATOM 288 NZ LYS A 41 13.794 14.700 -1.102 1.00 0.00 N ATOM 0 H LYS A 41 8.324 15.901 1.273 1.00 0.00 H new ATOM 0 HA LYS A 41 8.995 13.406 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.536 15.211 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.172 14.606 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.947 13.206 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.747 12.241 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.355 12.417 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.359 13.804 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.924 15.200 0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.984 13.805 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.611 15.326 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.099 13.849 -1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.072 15.200 -1.659 1.00 0.00 H new ATOM 289 N PHE A 42 7.707 13.319 3.078 1.00 0.00 N ATOM 290 CA PHE A 42 7.053 12.446 4.040 1.00 0.00 C ATOM 291 C PHE A 42 5.778 11.841 3.446 1.00 0.00 C ATOM 292 O PHE A 42 5.521 10.647 3.613 1.00 0.00 O ATOM 293 CB PHE A 42 6.678 13.309 5.247 1.00 0.00 C ATOM 294 CG PHE A 42 5.872 12.569 6.313 1.00 0.00 C ATOM 295 CD1 PHE A 42 6.534 11.766 7.279 1.00 0.00 C ATOM 296 CD2 PHE A 42 4.515 12.679 6.339 1.00 0.00 C ATOM 297 CE1 PHE A 42 5.816 11.109 8.228 1.00 0.00 C ATOM 298 CE2 PHE A 42 3.765 11.993 7.329 1.00 0.00 C ATOM 299 CZ PHE A 42 4.400 11.223 8.254 1.00 0.00 C ATOM 0 H PHE A 42 7.767 14.297 3.362 1.00 0.00 H new ATOM 0 HA PHE A 42 7.720 11.629 4.317 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.590 13.698 5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.102 14.168 4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.610 11.677 7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.009 13.289 5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.322 10.500 8.963 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.689 12.082 7.348 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.829 10.700 9.006 1.00 0.00 H new ATOM 300 N TYR A 43 5.014 12.686 2.774 1.00 0.00 N ATOM 301 CA TYR A 43 3.773 12.250 2.158 1.00 0.00 C ATOM 302 C TYR A 43 4.037 11.168 1.106 1.00 0.00 C ATOM 303 O TYR A 43 3.291 10.192 1.015 1.00 0.00 O ATOM 304 CB TYR A 43 3.186 13.481 1.467 1.00 0.00 C ATOM 305 CG TYR A 43 1.911 13.201 0.672 1.00 0.00 C ATOM 306 CD1 TYR A 43 0.709 13.147 1.308 1.00 0.00 C ATOM 307 CD2 TYR A 43 1.981 12.995 -0.752 1.00 0.00 C ATOM 308 CE1 TYR A 43 -0.489 12.883 0.559 1.00 0.00 C ATOM 309 CE2 TYR A 43 0.846 12.746 -1.459 1.00 0.00 C ATOM 310 CZ TYR A 43 -0.424 12.690 -0.786 1.00 0.00 C ATOM 311 OH TYR A 43 -1.559 12.439 -1.492 1.00 0.00 O ATOM 0 H TYR A 43 5.230 13.674 2.642 1.00 0.00 H new ATOM 0 HA TYR A 43 3.100 11.832 2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.973 14.240 2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.936 13.900 0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.655 13.303 2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.934 13.038 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.442 12.838 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.898 12.590 -2.526 1.00 0.00 H new ATOM 312 N ALA A 44 5.095 11.380 0.338 1.00 0.00 N ATOM 313 CA ALA A 44 5.464 10.434 -0.703 1.00 0.00 C ATOM 314 C ALA A 44 5.787 9.080 -0.066 1.00 0.00 C ATOM 315 O ALA A 44 5.355 8.039 -0.563 1.00 0.00 O ATOM 316 CB ALA A 44 6.639 10.994 -1.507 1.00 0.00 C ATOM 0 H ALA A 44 5.708 12.191 0.415 1.00 0.00 H new ATOM 0 HA ALA A 44 4.636 10.283 -1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.916 10.286 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.350 11.941 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.489 11.155 -0.844 1.00 0.00 H new ATOM 317 N ILE A 45 6.541 9.138 1.019 1.00 0.00 N ATOM 318 CA ILE A 45 6.926 7.929 1.728 1.00 0.00 C ATOM 319 C ILE A 45 5.672 7.251 2.288 1.00 0.00 C ATOM 320 O ILE A 45 5.566 6.024 2.269 1.00 0.00 O ATOM 321 CB ILE A 45 7.980 8.244 2.791 1.00 0.00 C ATOM 322 CG1 ILE A 45 9.313 8.626 2.145 1.00 0.00 C ATOM 323 CG2 ILE A 45 8.132 7.082 3.775 1.00 0.00 C ATOM 324 CD1 ILE A 45 10.163 9.470 3.098 1.00 0.00 C ATOM 0 H ILE A 45 6.897 10.003 1.426 1.00 0.00 H new ATOM 0 HA ILE A 45 7.396 7.220 1.046 1.00 0.00 H new ATOM 0 HB ILE A 45 7.640 9.107 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.858 7.724 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.129 9.183 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.887 7.332 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.179 6.899 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.438 6.186 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.105 9.728 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.625 10.383 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.365 8.901 4.006 1.00 0.00 H new ATOM 325 N THR A 46 4.759 8.078 2.772 1.00 0.00 N ATOM 326 CA THR A 46 3.519 7.572 3.335 1.00 0.00 C ATOM 327 C THR A 46 2.623 7.005 2.232 1.00 0.00 C ATOM 328 O THR A 46 1.703 6.236 2.507 1.00 0.00 O ATOM 329 CB THR A 46 2.865 8.703 4.130 1.00 0.00 C ATOM 330 OG1 THR A 46 3.874 9.109 5.049 1.00 0.00 O ATOM 331 CG2 THR A 46 1.723 8.209 5.022 1.00 0.00 C ATOM 0 H THR A 46 4.852 9.094 2.786 1.00 0.00 H new ATOM 0 HA THR A 46 3.704 6.742 4.016 1.00 0.00 H new ATOM 0 HB THR A 46 2.486 9.458 3.442 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.515 9.694 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.294 9.052 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.954 7.745 4.405 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.107 7.478 5.733 1.00 0.00 H new ATOM 332 N THR A 47 2.920 7.412 1.006 1.00 0.00 N ATOM 333 CA THR A 47 2.152 6.956 -0.141 1.00 0.00 C ATOM 334 C THR A 47 2.814 5.727 -0.770 1.00 0.00 C ATOM 335 O THR A 47 2.182 5.001 -1.535 1.00 0.00 O ATOM 336 CB THR A 47 2.008 8.131 -1.108 1.00 0.00 C ATOM 337 OG1 THR A 47 1.309 9.118 -0.356 1.00 0.00 O ATOM 338 CG2 THR A 47 1.068 7.816 -2.276 1.00 0.00 C ATOM 0 H THR A 47 3.682 8.052 0.782 1.00 0.00 H new ATOM 0 HA THR A 47 1.153 6.634 0.152 1.00 0.00 H new ATOM 0 HB THR A 47 2.990 8.404 -1.495 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.001 8.683 -2.933 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.456 6.966 -2.836 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.077 7.575 -1.891 1.00 0.00 H new ATOM 339 N LEU A 48 4.077 5.533 -0.423 1.00 0.00 N ATOM 340 CA LEU A 48 4.833 4.405 -0.945 1.00 0.00 C ATOM 341 C LEU A 48 4.912 3.312 0.121 1.00 0.00 C ATOM 342 O LEU A 48 5.401 2.216 -0.142 1.00 0.00 O ATOM 343 CB LEU A 48 6.197 4.865 -1.460 1.00 0.00 C ATOM 344 CG LEU A 48 6.136 5.148 -2.962 1.00 0.00 C ATOM 345 CD1 LEU A 48 6.006 3.847 -3.760 1.00 0.00 C ATOM 346 CD2 LEU A 48 5.021 6.138 -3.291 1.00 0.00 C ATOM 0 H LEU A 48 4.597 6.137 0.213 1.00 0.00 H new ATOM 0 HA LEU A 48 4.325 3.972 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.509 5.763 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.945 4.099 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 48 7.075 5.615 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.965 4.076 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.867 3.209 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.094 3.329 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.002 6.320 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.063 5.725 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.202 7.077 -2.767 1.00 0.00 H new ATOM 347 N VAL A 49 4.427 3.654 1.309 1.00 0.00 N ATOM 348 CA VAL A 49 4.438 2.716 2.417 1.00 0.00 C ATOM 349 C VAL A 49 3.555 1.517 2.076 1.00 0.00 C ATOM 350 O VAL A 49 3.975 0.366 2.221 1.00 0.00 O ATOM 351 CB VAL A 49 4.013 3.423 3.706 1.00 0.00 C ATOM 352 CG1 VAL A 49 3.094 2.530 4.545 1.00 0.00 C ATOM 353 CG2 VAL A 49 5.231 3.871 4.516 1.00 0.00 C ATOM 0 H VAL A 49 4.025 4.566 1.525 1.00 0.00 H new ATOM 0 HA VAL A 49 5.447 2.338 2.585 1.00 0.00 H new ATOM 0 HB VAL A 49 3.451 4.315 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.807 3.057 5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.201 2.285 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.619 1.612 4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.899 4.370 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.834 3.001 4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.830 4.561 3.921 1.00 0.00 H new ATOM 354 N PRO A 50 2.315 1.828 1.614 1.00 0.00 N ATOM 355 CA PRO A 50 1.368 0.787 1.247 1.00 0.00 C ATOM 356 C PRO A 50 1.743 0.150 -0.091 1.00 0.00 C ATOM 357 O PRO A 50 1.328 -0.970 -0.386 1.00 0.00 O ATOM 358 CB PRO A 50 0.015 1.481 1.217 1.00 0.00 C ATOM 359 CG PRO A 50 0.311 2.968 1.109 1.00 0.00 C ATOM 360 CD PRO A 50 1.783 3.175 1.426 1.00 0.00 C ATOM 0 HA PRO A 50 1.360 -0.043 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.581 1.139 0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.557 1.261 2.119 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.082 3.331 0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.312 3.532 1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.294 3.693 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.914 3.781 2.323 1.00 0.00 H new ATOM 361 N ALA A 51 2.527 0.889 -0.862 1.00 0.00 N ATOM 362 CA ALA A 51 2.962 0.408 -2.163 1.00 0.00 C ATOM 363 C ALA A 51 4.012 -0.688 -1.971 1.00 0.00 C ATOM 364 O ALA A 51 3.995 -1.701 -2.671 1.00 0.00 O ATOM 365 CB ALA A 51 3.491 1.584 -2.991 1.00 0.00 C ATOM 0 H ALA A 51 2.872 1.816 -0.612 1.00 0.00 H new ATOM 0 HA ALA A 51 2.126 -0.028 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.817 1.224 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.699 2.322 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.333 2.044 -2.474 1.00 0.00 H new ATOM 366 N ILE A 52 4.904 -0.450 -1.018 1.00 0.00 N ATOM 367 CA ILE A 52 5.958 -1.405 -0.725 1.00 0.00 C ATOM 368 C ILE A 52 5.358 -2.622 -0.019 1.00 0.00 C ATOM 369 O ILE A 52 5.780 -3.753 -0.254 1.00 0.00 O ATOM 370 CB ILE A 52 7.084 -0.732 0.060 1.00 0.00 C ATOM 371 CG1 ILE A 52 7.832 0.281 -0.811 1.00 0.00 C ATOM 372 CG2 ILE A 52 8.029 -1.775 0.665 1.00 0.00 C ATOM 373 CD1 ILE A 52 8.542 1.324 0.053 1.00 0.00 C ATOM 0 H ILE A 52 4.917 0.390 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 52 6.413 -1.766 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 52 6.640 -0.179 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.560 -0.237 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.131 0.776 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.821 -1.271 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.471 -2.423 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.468 -2.374 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.066 2.032 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.808 1.857 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.259 0.828 0.707 1.00 0.00 H new ATOM 374 N ALA A 53 4.381 -2.349 0.835 1.00 0.00 N ATOM 375 CA ALA A 53 3.719 -3.407 1.576 1.00 0.00 C ATOM 376 C ALA A 53 2.988 -4.329 0.599 1.00 0.00 C ATOM 377 O ALA A 53 3.034 -5.552 0.741 1.00 0.00 O ATOM 378 CB ALA A 53 2.776 -2.792 2.612 1.00 0.00 C ATOM 0 H ALA A 53 4.033 -1.410 1.029 1.00 0.00 H new ATOM 0 HA ALA A 53 4.449 -4.011 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.279 -3.587 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.348 -2.170 3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.029 -2.181 2.106 1.00 0.00 H new ATOM 379 N PHE A 54 2.331 -3.710 -0.371 1.00 0.00 N ATOM 380 CA PHE A 54 1.594 -4.461 -1.372 1.00 0.00 C ATOM 381 C PHE A 54 2.540 -5.278 -2.255 1.00 0.00 C ATOM 382 O PHE A 54 2.223 -6.405 -2.636 1.00 0.00 O ATOM 383 CB PHE A 54 0.857 -3.443 -2.242 1.00 0.00 C ATOM 384 CG PHE A 54 -0.090 -4.069 -3.269 1.00 0.00 C ATOM 385 CD1 PHE A 54 -1.158 -4.800 -2.854 1.00 0.00 C ATOM 386 CD2 PHE A 54 0.150 -3.888 -4.659 1.00 0.00 C ATOM 387 CE1 PHE A 54 -2.036 -5.380 -3.808 1.00 0.00 C ATOM 388 CE2 PHE A 54 -0.691 -4.444 -5.571 1.00 0.00 C ATOM 389 CZ PHE A 54 -1.806 -5.207 -5.137 1.00 0.00 C ATOM 0 H PHE A 54 2.294 -2.697 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 54 0.908 -5.154 -0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.286 -2.775 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.590 -2.830 -2.766 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.339 -4.940 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.000 -3.309 -4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.886 -5.958 -3.478 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.510 -4.305 -6.627 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.472 -5.650 -5.862 1.00 0.00 H new ATOM 390 N THR A 55 3.682 -4.678 -2.553 1.00 0.00 N ATOM 391 CA THR A 55 4.678 -5.334 -3.385 1.00 0.00 C ATOM 392 C THR A 55 5.270 -6.543 -2.655 1.00 0.00 C ATOM 393 O THR A 55 5.461 -7.600 -3.252 1.00 0.00 O ATOM 394 CB THR A 55 5.725 -4.293 -3.782 1.00 0.00 C ATOM 395 OG1 THR A 55 4.988 -3.329 -4.529 1.00 0.00 O ATOM 396 CG2 THR A 55 6.745 -4.839 -4.786 1.00 0.00 C ATOM 0 H THR A 55 3.941 -3.745 -2.234 1.00 0.00 H new ATOM 0 HA THR A 55 4.231 -5.730 -4.297 1.00 0.00 H new ATOM 0 HB THR A 55 6.245 -3.943 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.757 -2.573 -3.950 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.465 -4.059 -5.034 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.267 -5.689 -4.348 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.229 -5.158 -5.692 1.00 0.00 H new ATOM 397 N MET A 56 5.542 -6.344 -1.373 1.00 0.00 N ATOM 398 CA MET A 56 6.106 -7.403 -0.556 1.00 0.00 C ATOM 399 C MET A 56 5.104 -8.543 -0.364 1.00 0.00 C ATOM 400 O MET A 56 5.485 -9.712 -0.348 1.00 0.00 O ATOM 401 CB MET A 56 6.503 -6.837 0.810 1.00 0.00 C ATOM 402 CG MET A 56 7.820 -6.060 0.721 1.00 0.00 C ATOM 403 SD MET A 56 8.167 -5.266 2.281 1.00 0.00 S ATOM 404 CE MET A 56 8.903 -6.630 3.164 1.00 0.00 C ATOM 0 H MET A 56 5.382 -5.465 -0.881 1.00 0.00 H new ATOM 0 HA MET A 56 6.984 -7.800 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 56 5.714 -6.181 1.179 1.00 0.00 H new ATOM 0 HB3 MET A 56 6.604 -7.650 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.634 -6.736 0.459 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.758 -5.313 -0.071 1.00 0.00 H new ATOM 0 HE1 MET A 56 9.182 -6.306 4.167 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.186 -7.448 3.233 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.792 -6.970 2.633 1.00 0.00 H new ATOM 405 N TYR A 57 3.844 -8.162 -0.223 1.00 0.00 N ATOM 406 CA TYR A 57 2.784 -9.137 -0.034 1.00 0.00 C ATOM 407 C TYR A 57 2.688 -10.084 -1.234 1.00 0.00 C ATOM 408 O TYR A 57 2.461 -11.279 -1.068 1.00 0.00 O ATOM 409 CB TYR A 57 1.486 -8.335 0.072 1.00 0.00 C ATOM 410 CG TYR A 57 0.217 -9.192 0.042 1.00 0.00 C ATOM 411 CD1 TYR A 57 0.029 -10.233 1.018 1.00 0.00 C ATOM 412 CD2 TYR A 57 -0.728 -8.972 -0.910 1.00 0.00 C ATOM 413 CE1 TYR A 57 -1.095 -10.996 0.989 1.00 0.00 C ATOM 414 CE2 TYR A 57 -1.919 -9.780 -0.940 1.00 0.00 C ATOM 415 CZ TYR A 57 -2.097 -10.763 -0.016 1.00 0.00 C ATOM 416 OH TYR A 57 -3.224 -11.525 -0.045 1.00 0.00 O ATOM 0 H TYR A 57 3.533 -7.191 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 57 2.975 -9.743 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.501 -7.760 0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.447 -7.618 -0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.781 -10.408 1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.585 -8.192 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.236 -11.778 1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.671 -9.606 -1.695 1.00 0.00 H new ATOM 417 N LEU A 58 2.868 -9.509 -2.414 1.00 0.00 N ATOM 418 CA LEU A 58 2.803 -10.285 -3.642 1.00 0.00 C ATOM 419 C LEU A 58 4.106 -11.066 -3.813 1.00 0.00 C ATOM 420 O LEU A 58 4.112 -12.152 -4.390 1.00 0.00 O ATOM 421 CB LEU A 58 2.467 -9.383 -4.829 1.00 0.00 C ATOM 422 CG LEU A 58 1.051 -8.817 -4.690 1.00 0.00 C ATOM 423 CD1 LEU A 58 0.894 -7.527 -5.499 1.00 0.00 C ATOM 424 CD2 LEU A 58 0.003 -9.866 -5.068 1.00 0.00 C ATOM 0 H LEU A 58 3.059 -8.516 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 58 1.996 -11.016 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.187 -8.567 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.549 -9.948 -5.757 1.00 0.00 H new ATOM 0 HG LEU A 58 0.885 -8.560 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.121 -7.146 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.604 -6.783 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.086 -7.732 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.994 -9.439 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.156 -10.177 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.100 -10.730 -4.411 1.00 0.00 H new ATOM 425 N SER A 59 5.181 -10.483 -3.301 1.00 0.00 N ATOM 426 CA SER A 59 6.488 -11.111 -3.391 1.00 0.00 C ATOM 427 C SER A 59 6.581 -12.267 -2.393 1.00 0.00 C ATOM 428 O SER A 59 7.563 -13.010 -2.390 1.00 0.00 O ATOM 429 CB SER A 59 7.605 -10.097 -3.136 1.00 0.00 C ATOM 430 OG SER A 59 8.896 -10.654 -3.369 1.00 0.00 O ATOM 0 H SER A 59 5.173 -9.582 -2.822 1.00 0.00 H new ATOM 0 HA SER A 59 6.613 -11.500 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.462 -9.231 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.544 -9.742 -2.107 1.00 0.00 H new ATOM 0 HG SER A 59 9.581 -9.975 -3.197 1.00 0.00 H new ATOM 431 N MET A 60 5.552 -12.381 -1.568 1.00 0.00 N ATOM 432 CA MET A 60 5.508 -13.436 -0.568 1.00 0.00 C ATOM 433 C MET A 60 4.443 -14.475 -0.916 1.00 0.00 C ATOM 434 O MET A 60 4.722 -15.674 -0.931 1.00 0.00 O ATOM 435 CB MET A 60 5.196 -12.826 0.801 1.00 0.00 C ATOM 436 CG MET A 60 5.390 -13.855 1.915 1.00 0.00 C ATOM 437 SD MET A 60 4.979 -13.128 3.495 1.00 0.00 S ATOM 438 CE MET A 60 3.210 -13.348 3.488 1.00 0.00 C ATOM 0 H MET A 60 4.742 -11.761 -1.570 1.00 0.00 H new ATOM 0 HA MET A 60 6.479 -13.931 -0.544 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.844 -11.967 0.977 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.170 -12.459 0.814 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.761 -14.726 1.731 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.423 -14.204 1.923 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.814 -13.146 4.483 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.761 -12.659 2.772 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.972 -14.373 3.204 1.00 0.00 H new ATOM 439 N LEU A 61 3.242 -13.984 -1.187 1.00 0.00 N ATOM 440 CA LEU A 61 2.135 -14.855 -1.531 1.00 0.00 C ATOM 441 C LEU A 61 2.513 -15.694 -2.752 1.00 0.00 C ATOM 442 O LEU A 61 2.570 -16.922 -2.674 1.00 0.00 O ATOM 443 CB LEU A 61 0.850 -14.043 -1.720 1.00 0.00 C ATOM 444 CG LEU A 61 -0.372 -14.869 -1.312 1.00 0.00 C ATOM 445 CD1 LEU A 61 -0.408 -16.201 -2.061 1.00 0.00 C ATOM 446 CD2 LEU A 61 -0.419 -15.061 0.204 1.00 0.00 C ATOM 0 H LEU A 61 3.013 -12.990 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 61 1.930 -15.548 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.897 -13.133 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.757 -13.736 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.269 -14.318 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.286 -16.768 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.455 -16.014 -3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.492 -16.772 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.296 -15.651 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.481 -15.581 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.475 -14.088 0.692 1.00 0.00 H new ATOM 447 N LEU A 62 2.765 -15.002 -3.854 1.00 0.00 N ATOM 448 CA LEU A 62 3.138 -15.670 -5.089 1.00 0.00 C ATOM 449 C LEU A 62 4.582 -16.165 -4.978 1.00 0.00 C ATOM 450 O LEU A 62 4.930 -17.208 -5.536 1.00 0.00 O ATOM 451 CB LEU A 62 2.894 -14.753 -6.288 1.00 0.00 C ATOM 452 CG LEU A 62 1.405 -14.429 -6.420 1.00 0.00 C ATOM 453 CD1 LEU A 62 1.196 -13.021 -6.985 1.00 0.00 C ATOM 454 CD2 LEU A 62 0.684 -15.492 -7.254 1.00 0.00 C ATOM 0 H LEU A 62 2.718 -13.985 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 62 2.511 -16.546 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.464 -13.831 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.250 -15.234 -7.199 1.00 0.00 H new ATOM 0 HG LEU A 62 0.964 -14.445 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.128 -12.817 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.654 -12.290 -6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.656 -12.952 -7.971 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.373 -15.238 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.123 -15.531 -8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.789 -16.465 -6.773 1.00 0.00 H new ATOM 455 N GLY A 63 5.386 -15.399 -4.257 1.00 0.00 N ATOM 456 CA GLY A 63 6.782 -15.746 -4.067 1.00 0.00 C ATOM 457 C GLY A 63 7.616 -15.356 -5.289 1.00 0.00 C ATOM 458 O GLY A 63 7.749 -16.137 -6.229 1.00 0.00 O ATOM 0 H GLY A 63 5.095 -14.537 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.169 -15.240 -3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.873 -16.817 -3.887 1.00 0.00 H new ATOM 459 N TYR A 64 8.156 -14.147 -5.236 1.00 0.00 N ATOM 460 CA TYR A 64 8.970 -13.644 -6.326 1.00 0.00 C ATOM 461 C TYR A 64 10.137 -12.805 -5.798 1.00 0.00 C ATOM 462 O TYR A 64 10.731 -12.021 -6.535 1.00 0.00 O ATOM 463 CB TYR A 64 8.055 -12.744 -7.160 1.00 0.00 C ATOM 464 CG TYR A 64 7.110 -13.510 -8.089 1.00 0.00 C ATOM 465 CD1 TYR A 64 7.634 -14.515 -8.979 1.00 0.00 C ATOM 466 CD2 TYR A 64 5.776 -13.243 -8.073 1.00 0.00 C ATOM 467 CE1 TYR A 64 6.797 -15.196 -9.807 1.00 0.00 C ATOM 468 CE2 TYR A 64 4.890 -13.963 -8.949 1.00 0.00 C ATOM 469 CZ TYR A 64 5.384 -14.912 -9.791 1.00 0.00 C ATOM 470 OH TYR A 64 4.543 -15.594 -10.617 1.00 0.00 O ATOM 0 H TYR A 64 8.045 -13.502 -4.454 1.00 0.00 H new ATOM 0 HA TYR A 64 9.385 -14.470 -6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.463 -12.122 -6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.670 -12.071 -7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.693 -14.728 -8.989 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.383 -12.492 -7.404 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.190 -15.948 -10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.831 -13.750 -8.939 1.00 0.00 H new ATOM 0 HH TYR A 64 3.624 -15.281 -10.479 1.00 0.00 H new ATOM 471 N GLY A 65 10.434 -13.004 -4.521 1.00 0.00 N ATOM 472 CA GLY A 65 11.520 -12.278 -3.885 1.00 0.00 C ATOM 473 C GLY A 65 11.608 -12.620 -2.394 1.00 0.00 C ATOM 474 O GLY A 65 12.670 -13.001 -1.905 1.00 0.00 O ATOM 0 H GLY A 65 9.942 -13.657 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.462 -12.523 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.367 -11.206 -4.008 1.00 0.00 H new ATOM 475 N LEU A 66 10.480 -12.472 -1.719 1.00 0.00 N ATOM 476 CA LEU A 66 10.416 -12.762 -0.295 1.00 0.00 C ATOM 477 C LEU A 66 10.570 -14.268 -0.079 1.00 0.00 C ATOM 478 O LEU A 66 11.507 -14.709 0.587 1.00 0.00 O ATOM 479 CB LEU A 66 9.140 -12.179 0.313 1.00 0.00 C ATOM 480 CG LEU A 66 9.424 -11.581 1.691 1.00 0.00 C ATOM 481 CD1 LEU A 66 8.226 -10.782 2.204 1.00 0.00 C ATOM 482 CD2 LEU A 66 9.857 -12.667 2.682 1.00 0.00 C ATOM 0 H LEU A 66 9.602 -12.155 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 66 11.240 -12.279 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.735 -11.411 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.382 -12.958 0.398 1.00 0.00 H new ATOM 0 HG LEU A 66 10.255 -10.883 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.458 -10.369 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.007 -9.970 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.358 -11.437 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.053 -12.215 3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.064 -13.408 2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.763 -13.151 2.318 1.00 0.00 H new ATOM 483 N THR A 67 9.640 -15.013 -0.652 1.00 0.00 N ATOM 484 CA THR A 67 9.660 -16.461 -0.530 1.00 0.00 C ATOM 485 C THR A 67 10.682 -17.064 -1.497 1.00 0.00 C ATOM 486 O THR A 67 11.477 -17.921 -1.111 1.00 0.00 O ATOM 487 CB THR A 67 8.237 -16.976 -0.751 1.00 0.00 C ATOM 488 OG1 THR A 67 7.446 -16.208 0.148 1.00 0.00 O ATOM 489 CG2 THR A 67 8.054 -18.418 -0.271 1.00 0.00 C ATOM 0 H THR A 67 8.866 -14.642 -1.203 1.00 0.00 H new ATOM 0 HA THR A 67 9.980 -16.769 0.466 1.00 0.00 H new ATOM 0 HB THR A 67 7.989 -16.912 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.556 -16.067 -0.238 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.026 -18.734 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.735 -19.072 -0.815 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.270 -18.476 0.796 1.00 0.00 H new ATOM 490 N MET A 68 10.629 -16.593 -2.733 1.00 0.00 N ATOM 491 CA MET A 68 11.537 -17.077 -3.758 1.00 0.00 C ATOM 492 C MET A 68 12.664 -16.069 -4.008 1.00 0.00 C ATOM 493 O MET A 68 12.588 -15.263 -4.935 1.00 0.00 O ATOM 494 CB MET A 68 10.767 -17.308 -5.061 1.00 0.00 C ATOM 495 CG MET A 68 9.686 -18.376 -4.871 1.00 0.00 C ATOM 496 SD MET A 68 10.442 -19.976 -4.625 1.00 0.00 S ATOM 497 CE MET A 68 8.985 -20.965 -4.339 1.00 0.00 C ATOM 0 H MET A 68 9.971 -15.880 -3.048 1.00 0.00 H new ATOM 0 HA MET A 68 11.975 -18.014 -3.414 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.309 -16.375 -5.389 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.457 -17.618 -5.846 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.062 -18.124 -4.014 1.00 0.00 H new ATOM 0 HG3 MET A 68 9.033 -18.404 -5.744 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.277 -22.001 -4.166 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.454 -20.587 -3.465 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.333 -20.913 -5.211 1.00 0.00 H new ATOM 498 N VAL A 69 13.682 -16.150 -3.166 1.00 0.00 N ATOM 499 CA VAL A 69 14.825 -15.256 -3.283 1.00 0.00 C ATOM 500 C VAL A 69 15.481 -15.452 -4.650 1.00 0.00 C ATOM 501 O VAL A 69 15.741 -14.484 -5.363 1.00 0.00 O ATOM 502 CB VAL A 69 15.790 -15.486 -2.119 1.00 0.00 C ATOM 503 CG1 VAL A 69 17.238 -15.253 -2.553 1.00 0.00 C ATOM 504 CG2 VAL A 69 15.425 -14.604 -0.921 1.00 0.00 C ATOM 0 H VAL A 69 13.741 -16.820 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 69 14.505 -14.216 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 69 15.698 -16.527 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 69 17.903 -15.423 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 69 17.492 -15.942 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.352 -14.227 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 69 16.127 -14.787 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.474 -13.555 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 69 14.414 -14.841 -0.589 1.00 0.00 H new ATOM 505 N PRO A 70 15.736 -16.745 -4.986 1.00 0.00 N ATOM 506 CA PRO A 70 16.357 -17.080 -6.257 1.00 0.00 C ATOM 507 C PRO A 70 15.360 -16.940 -7.407 1.00 0.00 C ATOM 508 CB PRO A 70 16.870 -18.500 -6.080 1.00 0.00 C ATOM 509 CG PRO A 70 16.115 -19.072 -4.894 1.00 0.00 C ATOM 510 CD PRO A 70 15.442 -17.918 -4.168 1.00 0.00 C ATOM 511 OXT PRO A 70 15.701 -16.427 -8.471 1.00 0.00 O ATOM 0 HA PRO A 70 17.173 -16.407 -6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.694 -19.093 -6.977 1.00 0.00 H new ATOM 0 HB3 PRO A 70 17.945 -18.507 -5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.373 -19.797 -5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 70 16.797 -19.598 -4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.368 -18.079 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 70 15.833 -17.804 -3.157 1.00 0.00 H new TER 512 PRO A 70