USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 364 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.0997 (180deg=-0.161) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= -0.876 (180deg=-1.11) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -0.809 (180deg=-1.27!) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.569) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= -0.0869 (180deg=-0.576) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= -0.217 (180deg=-1.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.163 -12.332 -9.935 1.00 0.00 N ATOM 2 CA MET A 1 22.538 -10.914 -10.204 1.00 0.00 C ATOM 3 C MET A 1 22.663 -10.702 -11.711 1.00 0.00 C ATOM 4 O MET A 1 22.685 -11.661 -12.481 1.00 0.00 O ATOM 5 CB MET A 1 23.873 -10.603 -9.519 1.00 0.00 C ATOM 6 CG MET A 1 23.727 -10.770 -8.004 1.00 0.00 C ATOM 7 SD MET A 1 24.389 -9.307 -7.166 1.00 0.00 S ATOM 8 CE MET A 1 25.872 -10.081 -6.475 1.00 0.00 C ATOM 0 H1 MET A 1 21.339 -12.359 -9.301 1.00 0.00 H new ATOM 0 H2 MET A 1 21.926 -12.804 -10.831 1.00 0.00 H new ATOM 0 H3 MET A 1 22.962 -12.823 -9.485 1.00 0.00 H new ATOM 0 HA MET A 1 21.770 -10.248 -9.811 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.649 -11.269 -9.895 1.00 0.00 H new ATOM 0 HB3 MET A 1 24.185 -9.585 -9.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.678 -10.908 -7.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 24.258 -11.663 -7.673 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.438 -9.342 -5.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.582 -10.899 -5.816 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.491 -10.469 -7.284 1.00 0.00 H new ATOM 18 N GLY A 2 22.746 -9.441 -12.125 1.00 0.00 N ATOM 19 CA GLY A 2 22.871 -9.128 -13.542 1.00 0.00 C ATOM 20 C GLY A 2 22.390 -7.713 -13.844 1.00 0.00 C ATOM 21 O GLY A 2 21.409 -7.523 -14.563 1.00 0.00 O ATOM 0 H GLY A 2 22.729 -8.630 -11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 2 23.912 -9.233 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 2 22.292 -9.843 -14.127 1.00 0.00 H new ATOM 25 N LEU A 3 23.088 -6.721 -13.298 1.00 0.00 N ATOM 26 CA LEU A 3 22.713 -5.330 -13.531 1.00 0.00 C ATOM 27 C LEU A 3 23.152 -4.911 -14.941 1.00 0.00 C ATOM 28 O LEU A 3 24.168 -5.396 -15.441 1.00 0.00 O ATOM 29 CB LEU A 3 23.379 -4.411 -12.496 1.00 0.00 C ATOM 30 CG LEU A 3 22.743 -4.598 -11.106 1.00 0.00 C ATOM 31 CD1 LEU A 3 21.271 -4.174 -11.133 1.00 0.00 C ATOM 32 CD2 LEU A 3 22.844 -6.067 -10.682 1.00 0.00 C ATOM 0 H LEU A 3 23.904 -6.851 -12.700 1.00 0.00 H new ATOM 0 HA LEU A 3 21.631 -5.239 -13.437 1.00 0.00 H new ATOM 0 HB2 LEU A 3 24.446 -4.628 -12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 3 23.280 -3.372 -12.809 1.00 0.00 H new ATOM 0 HG LEU A 3 23.279 -3.975 -10.390 1.00 0.00 H new ATOM 0 HD11 LEU A 3 20.835 -4.312 -10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 3 21.200 -3.124 -11.418 1.00 0.00 H new ATOM 0 HD13 LEU A 3 20.730 -4.784 -11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 3 22.393 -6.194 -9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 3 22.319 -6.691 -11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 3 23.892 -6.363 -10.641 1.00 0.00 H new ATOM 43 N PRO A 4 22.425 -4.030 -15.594 1.00 0.00 N ATOM 44 CA PRO A 4 22.782 -3.568 -16.970 1.00 0.00 C ATOM 45 C PRO A 4 23.970 -2.610 -16.961 1.00 0.00 C ATOM 46 O PRO A 4 24.509 -2.260 -18.010 1.00 0.00 O ATOM 47 CB PRO A 4 21.519 -2.857 -17.447 1.00 0.00 C ATOM 48 CG PRO A 4 20.861 -2.362 -16.202 1.00 0.00 C ATOM 49 CD PRO A 4 21.194 -3.375 -15.107 1.00 0.00 C ATOM 0 HA PRO A 4 23.085 -4.393 -17.615 1.00 0.00 H new ATOM 0 HB2 PRO A 4 21.760 -2.034 -18.120 1.00 0.00 H new ATOM 0 HB3 PRO A 4 20.866 -3.537 -17.995 1.00 0.00 H new ATOM 0 HG2 PRO A 4 21.227 -1.370 -15.938 1.00 0.00 H new ATOM 0 HG3 PRO A 4 19.783 -2.278 -16.339 1.00 0.00 H new ATOM 0 HD2 PRO A 4 21.354 -2.887 -14.146 1.00 0.00 H new ATOM 0 HD3 PRO A 4 20.387 -4.094 -14.968 1.00 0.00 H new ATOM 54 N GLY A 5 24.363 -2.187 -15.764 1.00 0.00 N ATOM 55 CA GLY A 5 25.481 -1.261 -15.610 1.00 0.00 C ATOM 56 C GLY A 5 25.033 0.174 -15.866 1.00 0.00 C ATOM 57 O GLY A 5 25.735 1.126 -15.520 1.00 0.00 O ATOM 0 H GLY A 5 23.925 -2.470 -14.887 1.00 0.00 H new ATOM 0 HA2 GLY A 5 25.893 -1.345 -14.604 1.00 0.00 H new ATOM 0 HA3 GLY A 5 26.278 -1.527 -16.304 1.00 0.00 H new ATOM 61 N ARG A 6 23.861 0.321 -16.476 1.00 0.00 N ATOM 62 CA ARG A 6 23.323 1.644 -16.779 1.00 0.00 C ATOM 63 C ARG A 6 21.844 1.712 -16.415 1.00 0.00 C ATOM 64 O ARG A 6 21.066 0.824 -16.764 1.00 0.00 O ATOM 65 CB ARG A 6 23.500 1.946 -18.271 1.00 0.00 C ATOM 66 CG ARG A 6 24.516 3.078 -18.461 1.00 0.00 C ATOM 67 CD ARG A 6 23.866 4.412 -18.092 1.00 0.00 C ATOM 68 NE ARG A 6 23.396 5.077 -19.302 1.00 0.00 N ATOM 69 CZ ARG A 6 22.725 6.223 -19.255 1.00 0.00 C ATOM 70 NH1 ARG A 6 22.471 6.782 -18.104 1.00 0.00 N ATOM 71 NH2 ARG A 6 22.320 6.786 -20.358 1.00 0.00 N ATOM 0 H ARG A 6 23.268 -0.455 -16.769 1.00 0.00 H new ATOM 0 HA ARG A 6 23.865 2.385 -16.191 1.00 0.00 H new ATOM 0 HB2 ARG A 6 23.838 1.051 -18.794 1.00 0.00 H new ATOM 0 HB3 ARG A 6 22.543 2.228 -18.709 1.00 0.00 H new ATOM 0 HG2 ARG A 6 25.392 2.903 -17.837 1.00 0.00 H new ATOM 0 HG3 ARG A 6 24.860 3.102 -19.495 1.00 0.00 H new ATOM 0 HD2 ARG A 6 23.033 4.246 -17.409 1.00 0.00 H new ATOM 0 HD3 ARG A 6 24.583 5.046 -17.571 1.00 0.00 H new ATOM 0 HE ARG A 6 23.588 4.651 -20.209 1.00 0.00 H new ATOM 0 HH11 ARG A 6 22.787 6.339 -17.241 1.00 0.00 H new ATOM 0 HH12 ARG A 6 21.956 7.662 -18.067 1.00 0.00 H new ATOM 0 HH21 ARG A 6 22.518 6.347 -21.257 1.00 0.00 H new ATOM 0 HH22 ARG A 6 21.805 7.666 -20.322 1.00 0.00 H new ATOM 82 N VAL A 7 21.463 2.772 -15.708 1.00 0.00 N ATOM 83 CA VAL A 7 20.075 2.950 -15.295 1.00 0.00 C ATOM 84 C VAL A 7 19.390 4.022 -16.156 1.00 0.00 C ATOM 85 O VAL A 7 19.644 5.212 -15.963 1.00 0.00 O ATOM 86 CB VAL A 7 20.036 3.386 -13.830 1.00 0.00 C ATOM 87 CG1 VAL A 7 19.967 2.149 -12.931 1.00 0.00 C ATOM 88 CG2 VAL A 7 21.300 4.182 -13.503 1.00 0.00 C ATOM 0 H VAL A 7 22.093 3.517 -15.410 1.00 0.00 H new ATOM 0 HA VAL A 7 19.548 2.004 -15.421 1.00 0.00 H new ATOM 0 HB VAL A 7 19.158 4.009 -13.659 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.939 2.459 -11.887 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.067 1.579 -13.164 1.00 0.00 H new ATOM 0 HG13 VAL A 7 20.845 1.526 -13.101 1.00 0.00 H new ATOM 0 HG21 VAL A 7 21.274 4.494 -12.459 1.00 0.00 H new ATOM 0 HG22 VAL A 7 22.177 3.558 -13.674 1.00 0.00 H new ATOM 0 HG23 VAL A 7 21.351 5.063 -14.143 1.00 0.00 H new ATOM 98 N PRO A 8 18.540 3.656 -17.096 1.00 0.00 N ATOM 99 CA PRO A 8 17.857 4.660 -17.959 1.00 0.00 C ATOM 100 C PRO A 8 16.819 5.467 -17.184 1.00 0.00 C ATOM 101 O PRO A 8 16.069 4.921 -16.377 1.00 0.00 O ATOM 102 CB PRO A 8 17.207 3.841 -19.075 1.00 0.00 C ATOM 103 CG PRO A 8 17.134 2.433 -18.586 1.00 0.00 C ATOM 104 CD PRO A 8 18.132 2.278 -17.436 1.00 0.00 C ATOM 0 HA PRO A 8 18.559 5.399 -18.347 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.212 4.223 -19.306 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.793 3.902 -19.992 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.124 2.199 -18.248 1.00 0.00 H new ATOM 0 HG3 PRO A 8 17.370 1.737 -19.391 1.00 0.00 H new ATOM 0 HD2 PRO A 8 17.675 1.779 -16.581 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.989 1.675 -17.736 1.00 0.00 H new ATOM 109 N LEU A 9 16.786 6.770 -17.437 1.00 0.00 N ATOM 110 CA LEU A 9 15.841 7.649 -16.758 1.00 0.00 C ATOM 111 C LEU A 9 14.443 7.042 -16.756 1.00 0.00 C ATOM 112 O LEU A 9 13.679 7.225 -15.811 1.00 0.00 O ATOM 113 CB LEU A 9 15.795 9.001 -17.461 1.00 0.00 C ATOM 114 CG LEU A 9 16.738 9.981 -16.760 1.00 0.00 C ATOM 115 CD1 LEU A 9 17.102 11.114 -17.719 1.00 0.00 C ATOM 116 CD2 LEU A 9 16.044 10.563 -15.525 1.00 0.00 C ATOM 0 H LEU A 9 17.399 7.240 -18.104 1.00 0.00 H new ATOM 0 HA LEU A 9 16.174 7.776 -15.728 1.00 0.00 H new ATOM 0 HB2 LEU A 9 16.084 8.888 -18.506 1.00 0.00 H new ATOM 0 HB3 LEU A 9 14.777 9.392 -17.452 1.00 0.00 H new ATOM 0 HG LEU A 9 17.644 9.457 -16.456 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.774 11.812 -17.219 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.596 10.701 -18.599 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.196 11.638 -18.024 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.716 11.261 -15.025 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.138 11.086 -15.830 1.00 0.00 H new ATOM 0 HD23 LEU A 9 15.784 9.756 -14.840 1.00 0.00 H new ATOM 127 N TRP A 10 14.116 6.320 -17.817 1.00 0.00 N ATOM 128 CA TRP A 10 12.805 5.693 -17.917 1.00 0.00 C ATOM 129 C TRP A 10 12.564 4.795 -16.711 1.00 0.00 C ATOM 130 O TRP A 10 11.465 4.753 -16.160 1.00 0.00 O ATOM 131 CB TRP A 10 12.732 4.845 -19.185 1.00 0.00 C ATOM 132 CG TRP A 10 12.352 5.696 -20.355 1.00 0.00 C ATOM 133 CD1 TRP A 10 13.208 6.461 -21.070 1.00 0.00 C ATOM 134 CD2 TRP A 10 11.040 5.868 -20.965 1.00 0.00 C ATOM 135 NE1 TRP A 10 12.505 7.092 -22.080 1.00 0.00 N ATOM 136 CE2 TRP A 10 11.166 6.759 -22.059 1.00 0.00 C ATOM 137 CE3 TRP A 10 9.767 5.342 -20.680 1.00 0.00 C ATOM 138 CZ2 TRP A 10 10.066 7.115 -22.839 1.00 0.00 C ATOM 139 CZ3 TRP A 10 8.659 5.700 -21.466 1.00 0.00 C ATOM 140 CH2 TRP A 10 8.808 6.585 -22.544 1.00 0.00 C ATOM 0 H TRP A 10 14.732 6.154 -18.613 1.00 0.00 H new ATOM 0 HA TRP A 10 12.046 6.475 -17.950 1.00 0.00 H new ATOM 0 HB2 TRP A 10 13.696 4.370 -19.369 1.00 0.00 H new ATOM 0 HB3 TRP A 10 12.002 4.046 -19.055 1.00 0.00 H new ATOM 0 HD1 TRP A 10 14.267 6.562 -20.883 1.00 0.00 H new ATOM 0 HE1 TRP A 10 12.925 7.727 -22.759 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.641 4.659 -19.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 10.186 7.797 -23.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 7.686 5.291 -21.239 1.00 0.00 H new ATOM 0 HH2 TRP A 10 7.952 6.856 -23.144 1.00 0.00 H new ATOM 150 N VAL A 11 13.603 4.066 -16.326 1.00 0.00 N ATOM 151 CA VAL A 11 13.508 3.143 -15.199 1.00 0.00 C ATOM 152 C VAL A 11 12.990 3.848 -13.947 1.00 0.00 C ATOM 153 O VAL A 11 12.234 3.266 -13.167 1.00 0.00 O ATOM 154 CB VAL A 11 14.877 2.497 -14.928 1.00 0.00 C ATOM 155 CG1 VAL A 11 15.668 3.306 -13.894 1.00 0.00 C ATOM 156 CG2 VAL A 11 14.670 1.076 -14.400 1.00 0.00 C ATOM 0 H VAL A 11 14.519 4.094 -16.774 1.00 0.00 H new ATOM 0 HA VAL A 11 12.794 2.362 -15.459 1.00 0.00 H new ATOM 0 HB VAL A 11 15.440 2.476 -15.861 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.632 2.829 -13.719 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.826 4.318 -14.267 1.00 0.00 H new ATOM 0 HG13 VAL A 11 15.109 3.347 -12.959 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.639 0.615 -14.207 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.094 1.112 -13.475 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.129 0.488 -15.141 1.00 0.00 H new ATOM 166 N ILE A 12 13.403 5.093 -13.753 1.00 0.00 N ATOM 167 CA ILE A 12 12.975 5.852 -12.583 1.00 0.00 C ATOM 168 C ILE A 12 11.458 6.032 -12.568 1.00 0.00 C ATOM 169 O ILE A 12 10.828 5.963 -11.515 1.00 0.00 O ATOM 170 CB ILE A 12 13.648 7.230 -12.566 1.00 0.00 C ATOM 171 CG1 ILE A 12 15.139 7.071 -12.236 1.00 0.00 C ATOM 172 CG2 ILE A 12 12.972 8.120 -11.517 1.00 0.00 C ATOM 173 CD1 ILE A 12 15.357 7.112 -10.720 1.00 0.00 C ATOM 0 H ILE A 12 14.028 5.596 -14.383 1.00 0.00 H new ATOM 0 HA ILE A 12 13.271 5.290 -11.697 1.00 0.00 H new ATOM 0 HB ILE A 12 13.547 7.695 -13.547 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.508 6.127 -12.638 1.00 0.00 H new ATOM 0 HG13 ILE A 12 15.711 7.867 -12.714 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.452 9.099 -11.507 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.917 8.236 -11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.066 7.659 -10.534 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.419 6.998 -10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.006 8.067 -10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.801 6.301 -10.250 1.00 0.00 H new ATOM 184 N LEU A 13 10.880 6.296 -13.734 1.00 0.00 N ATOM 185 CA LEU A 13 9.443 6.517 -13.812 1.00 0.00 C ATOM 186 C LEU A 13 8.693 5.267 -13.388 1.00 0.00 C ATOM 187 O LEU A 13 7.836 5.323 -12.505 1.00 0.00 O ATOM 188 CB LEU A 13 9.049 6.894 -15.242 1.00 0.00 C ATOM 189 CG LEU A 13 8.200 8.169 -15.224 1.00 0.00 C ATOM 190 CD1 LEU A 13 9.060 9.358 -14.792 1.00 0.00 C ATOM 191 CD2 LEU A 13 7.647 8.428 -16.627 1.00 0.00 C ATOM 0 H LEU A 13 11.375 6.361 -14.624 1.00 0.00 H new ATOM 0 HA LEU A 13 9.179 7.333 -13.139 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.942 7.049 -15.847 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.490 6.079 -15.702 1.00 0.00 H new ATOM 0 HG LEU A 13 7.377 8.045 -14.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.451 10.262 -14.781 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.458 9.176 -13.794 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.885 9.484 -15.493 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.042 9.335 -16.618 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.474 8.550 -17.327 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.031 7.584 -16.937 1.00 0.00 H new ATOM 202 N LEU A 14 9.008 4.137 -14.007 1.00 0.00 N ATOM 203 CA LEU A 14 8.341 2.896 -13.659 1.00 0.00 C ATOM 204 C LEU A 14 8.599 2.570 -12.199 1.00 0.00 C ATOM 205 O LEU A 14 7.749 2.003 -11.510 1.00 0.00 O ATOM 206 CB LEU A 14 8.864 1.757 -14.534 1.00 0.00 C ATOM 207 CG LEU A 14 8.589 2.073 -16.006 1.00 0.00 C ATOM 208 CD1 LEU A 14 9.875 1.891 -16.815 1.00 0.00 C ATOM 209 CD2 LEU A 14 7.513 1.122 -16.537 1.00 0.00 C ATOM 0 H LEU A 14 9.711 4.056 -14.742 1.00 0.00 H new ATOM 0 HA LEU A 14 7.270 3.011 -13.824 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.934 1.624 -14.374 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.381 0.820 -14.256 1.00 0.00 H new ATOM 0 HG LEU A 14 8.244 3.103 -16.100 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.680 2.116 -17.864 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.642 2.566 -16.436 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.220 0.861 -16.723 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.315 1.345 -17.585 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.859 0.093 -16.444 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.597 1.250 -15.960 1.00 0.00 H new ATOM 220 N SER A 15 9.795 2.915 -11.743 1.00 0.00 N ATOM 221 CA SER A 15 10.167 2.628 -10.366 1.00 0.00 C ATOM 222 C SER A 15 9.189 3.308 -9.429 1.00 0.00 C ATOM 223 O SER A 15 8.568 2.657 -8.590 1.00 0.00 O ATOM 224 CB SER A 15 11.589 3.115 -10.080 1.00 0.00 C ATOM 225 OG SER A 15 11.922 2.824 -8.729 1.00 0.00 O ATOM 0 H SER A 15 10.512 3.385 -12.295 1.00 0.00 H new ATOM 0 HA SER A 15 10.135 1.550 -10.208 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.295 2.629 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.662 4.187 -10.262 1.00 0.00 H new ATOM 0 HG SER A 15 12.833 3.133 -8.543 1.00 0.00 H new ATOM 230 N ALA A 16 9.048 4.620 -9.571 1.00 0.00 N ATOM 231 CA ALA A 16 8.135 5.366 -8.721 1.00 0.00 C ATOM 232 C ALA A 16 6.721 4.822 -8.848 1.00 0.00 C ATOM 233 O ALA A 16 5.936 4.897 -7.902 1.00 0.00 O ATOM 234 CB ALA A 16 8.151 6.846 -9.108 1.00 0.00 C ATOM 0 H ALA A 16 9.549 5.182 -10.259 1.00 0.00 H new ATOM 0 HA ALA A 16 8.462 5.258 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.464 7.397 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.159 7.243 -8.987 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.841 6.954 -10.148 1.00 0.00 H new ATOM 240 N PHE A 17 6.390 4.274 -10.015 1.00 0.00 N ATOM 241 CA PHE A 17 5.049 3.731 -10.216 1.00 0.00 C ATOM 242 C PHE A 17 4.893 2.434 -9.440 1.00 0.00 C ATOM 243 O PHE A 17 3.889 2.228 -8.758 1.00 0.00 O ATOM 244 CB PHE A 17 4.778 3.489 -11.699 1.00 0.00 C ATOM 245 CG PHE A 17 4.143 4.723 -12.296 1.00 0.00 C ATOM 246 CD1 PHE A 17 4.657 5.989 -11.987 1.00 0.00 C ATOM 247 CD2 PHE A 17 3.040 4.605 -13.151 1.00 0.00 C ATOM 248 CE1 PHE A 17 4.068 7.136 -12.533 1.00 0.00 C ATOM 249 CE2 PHE A 17 2.453 5.753 -13.696 1.00 0.00 C ATOM 250 CZ PHE A 17 2.966 7.017 -13.388 1.00 0.00 C ATOM 0 H PHE A 17 7.014 4.195 -10.818 1.00 0.00 H new ATOM 0 HA PHE A 17 4.325 4.458 -9.849 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.708 3.257 -12.218 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.120 2.629 -11.825 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.508 6.080 -11.328 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.643 3.629 -13.390 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.464 8.112 -12.295 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.603 5.662 -14.355 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.512 7.901 -13.810 1.00 0.00 H new ATOM 259 N ALA A 18 5.900 1.571 -9.522 1.00 0.00 N ATOM 260 CA ALA A 18 5.852 0.315 -8.788 1.00 0.00 C ATOM 261 C ALA A 18 5.809 0.624 -7.298 1.00 0.00 C ATOM 262 O ALA A 18 5.296 -0.155 -6.497 1.00 0.00 O ATOM 263 CB ALA A 18 7.081 -0.536 -9.110 1.00 0.00 C ATOM 0 H ALA A 18 6.743 1.715 -10.078 1.00 0.00 H new ATOM 0 HA ALA A 18 4.963 -0.245 -9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.031 -1.472 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.106 -0.750 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.983 0.006 -8.827 1.00 0.00 H new ATOM 269 N GLY A 19 6.348 1.788 -6.952 1.00 0.00 N ATOM 270 CA GLY A 19 6.374 2.240 -5.568 1.00 0.00 C ATOM 271 C GLY A 19 5.000 2.740 -5.137 1.00 0.00 C ATOM 272 O GLY A 19 4.616 2.604 -3.976 1.00 0.00 O ATOM 0 H GLY A 19 6.774 2.437 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.689 1.422 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.108 3.037 -5.455 1.00 0.00 H new ATOM 276 N LEU A 20 4.266 3.319 -6.082 1.00 0.00 N ATOM 277 CA LEU A 20 2.934 3.844 -5.795 1.00 0.00 C ATOM 278 C LEU A 20 1.957 2.714 -5.479 1.00 0.00 C ATOM 279 O LEU A 20 1.087 2.855 -4.620 1.00 0.00 O ATOM 280 CB LEU A 20 2.415 4.634 -6.998 1.00 0.00 C ATOM 281 CG LEU A 20 1.134 5.373 -6.609 1.00 0.00 C ATOM 282 CD1 LEU A 20 1.403 6.876 -6.588 1.00 0.00 C ATOM 283 CD2 LEU A 20 0.038 5.064 -7.632 1.00 0.00 C ATOM 0 H LEU A 20 4.568 3.437 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 20 3.009 4.497 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.170 5.345 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.220 3.960 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 20 0.810 5.048 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.491 7.405 -6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.185 7.096 -5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.725 7.202 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.876 5.590 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.360 5.391 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.152 3.991 -7.649 1.00 0.00 H new ATOM 294 N LEU A 21 2.112 1.594 -6.176 1.00 0.00 N ATOM 295 CA LEU A 21 1.239 0.444 -5.959 1.00 0.00 C ATOM 296 C LEU A 21 1.633 -0.268 -4.672 1.00 0.00 C ATOM 297 O LEU A 21 0.786 -0.595 -3.842 1.00 0.00 O ATOM 298 CB LEU A 21 1.336 -0.527 -7.140 1.00 0.00 C ATOM 299 CG LEU A 21 0.113 -0.373 -8.052 1.00 0.00 C ATOM 300 CD1 LEU A 21 -1.145 -0.869 -7.330 1.00 0.00 C ATOM 301 CD2 LEU A 21 -0.067 1.101 -8.428 1.00 0.00 C ATOM 0 H LEU A 21 2.827 1.457 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 21 0.210 0.795 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.247 -0.334 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.399 -1.552 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 21 0.268 -0.965 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.009 -0.756 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.023 -1.920 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.298 -0.284 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.937 1.208 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.214 1.692 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.821 1.454 -8.952 1.00 0.00 H new ATOM 312 N LEU A 22 2.932 -0.484 -4.509 1.00 0.00 N ATOM 313 CA LEU A 22 3.448 -1.137 -3.316 1.00 0.00 C ATOM 314 C LEU A 22 3.142 -0.288 -2.093 1.00 0.00 C ATOM 315 O LEU A 22 2.895 -0.811 -1.006 1.00 0.00 O ATOM 316 CB LEU A 22 4.960 -1.351 -3.428 1.00 0.00 C ATOM 317 CG LEU A 22 5.325 -2.723 -2.856 1.00 0.00 C ATOM 318 CD1 LEU A 22 4.944 -3.821 -3.852 1.00 0.00 C ATOM 319 CD2 LEU A 22 6.831 -2.779 -2.592 1.00 0.00 C ATOM 0 H LEU A 22 3.645 -0.217 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 22 2.965 -2.109 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.271 -1.285 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.490 -0.567 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 22 4.781 -2.879 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.207 -4.795 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.871 -3.784 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.483 -3.667 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.093 -3.755 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.370 -2.619 -3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.104 -2.003 -1.877 1.00 0.00 H new ATOM 330 N LEU A 23 3.152 1.027 -2.283 1.00 0.00 N ATOM 331 CA LEU A 23 2.865 1.923 -1.169 1.00 0.00 C ATOM 332 C LEU A 23 1.411 1.742 -0.735 1.00 0.00 C ATOM 333 O LEU A 23 1.124 1.509 0.440 1.00 0.00 O ATOM 334 CB LEU A 23 3.104 3.377 -1.584 1.00 0.00 C ATOM 335 CG LEU A 23 4.564 3.758 -1.311 1.00 0.00 C ATOM 336 CD1 LEU A 23 4.934 4.988 -2.143 1.00 0.00 C ATOM 337 CD2 LEU A 23 4.753 4.081 0.176 1.00 0.00 C ATOM 0 H LEU A 23 3.350 1.487 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 23 3.528 1.683 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.876 3.506 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.436 4.038 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 23 5.206 2.920 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.972 5.259 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.810 4.762 -3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.285 5.820 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.793 4.350 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.108 4.915 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.493 3.208 0.774 1.00 0.00 H new ATOM 348 N MET A 24 0.495 1.904 -1.683 1.00 0.00 N ATOM 349 CA MET A 24 -0.929 1.810 -1.367 1.00 0.00 C ATOM 350 C MET A 24 -1.225 0.551 -0.553 1.00 0.00 C ATOM 351 O MET A 24 -1.847 0.635 0.506 1.00 0.00 O ATOM 352 CB MET A 24 -1.749 1.786 -2.659 1.00 0.00 C ATOM 353 CG MET A 24 -2.823 2.877 -2.612 1.00 0.00 C ATOM 354 SD MET A 24 -2.037 4.504 -2.713 1.00 0.00 S ATOM 355 CE MET A 24 -3.310 5.306 -3.719 1.00 0.00 C ATOM 0 H MET A 24 0.706 2.098 -2.662 1.00 0.00 H new ATOM 0 HA MET A 24 -1.204 2.682 -0.774 1.00 0.00 H new ATOM 0 HB2 MET A 24 -1.096 1.942 -3.518 1.00 0.00 H new ATOM 0 HB3 MET A 24 -2.215 0.809 -2.787 1.00 0.00 H new ATOM 0 HG2 MET A 24 -3.524 2.748 -3.437 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.398 2.796 -1.690 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.026 6.341 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.410 4.778 -4.668 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.262 5.282 -3.188 1.00 0.00 H new ATOM 363 N LEU A 25 -0.790 -0.612 -1.030 1.00 0.00 N ATOM 364 CA LEU A 25 -1.038 -1.854 -0.299 1.00 0.00 C ATOM 365 C LEU A 25 -0.384 -1.798 1.078 1.00 0.00 C ATOM 366 O LEU A 25 -0.911 -2.333 2.049 1.00 0.00 O ATOM 367 CB LEU A 25 -0.484 -3.047 -1.080 1.00 0.00 C ATOM 368 CG LEU A 25 -1.639 -3.931 -1.562 1.00 0.00 C ATOM 369 CD1 LEU A 25 -1.104 -4.987 -2.529 1.00 0.00 C ATOM 370 CD2 LEU A 25 -2.285 -4.623 -0.358 1.00 0.00 C ATOM 0 H LEU A 25 -0.273 -0.722 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.115 -1.973 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.099 -2.697 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.190 -3.626 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.381 -3.316 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.926 -5.616 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.642 -4.496 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.363 -5.604 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.107 -5.253 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.542 -5.239 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.666 -3.871 0.333 1.00 0.00 H new ATOM 381 N LEU A 26 0.778 -1.162 1.143 1.00 0.00 N ATOM 382 CA LEU A 26 1.508 -1.057 2.404 1.00 0.00 C ATOM 383 C LEU A 26 0.627 -0.424 3.477 1.00 0.00 C ATOM 384 O LEU A 26 0.625 -0.868 4.626 1.00 0.00 O ATOM 385 CB LEU A 26 2.769 -0.216 2.206 1.00 0.00 C ATOM 386 CG LEU A 26 4.003 -1.041 2.575 1.00 0.00 C ATOM 387 CD1 LEU A 26 5.265 -0.235 2.263 1.00 0.00 C ATOM 388 CD2 LEU A 26 3.969 -1.382 4.068 1.00 0.00 C ATOM 0 H LEU A 26 1.234 -0.714 0.348 1.00 0.00 H new ATOM 0 HA LEU A 26 1.791 -2.058 2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.838 0.115 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.721 0.680 2.825 1.00 0.00 H new ATOM 0 HG LEU A 26 4.007 -1.964 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.145 -0.822 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.291 0.003 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.259 0.689 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.850 -1.970 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.963 -0.461 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.070 -1.958 4.289 1.00 0.00 H new ATOM 399 N ILE A 27 -0.158 0.578 3.092 1.00 0.00 N ATOM 400 CA ILE A 27 -1.075 1.204 4.042 1.00 0.00 C ATOM 401 C ILE A 27 -2.309 0.317 4.205 1.00 0.00 C ATOM 402 O ILE A 27 -2.663 -0.098 5.309 1.00 0.00 O ATOM 403 CB ILE A 27 -1.491 2.590 3.545 1.00 0.00 C ATOM 404 CG1 ILE A 27 -0.246 3.464 3.368 1.00 0.00 C ATOM 405 CG2 ILE A 27 -2.425 3.240 4.568 1.00 0.00 C ATOM 406 CD1 ILE A 27 -0.308 4.181 2.018 1.00 0.00 C ATOM 0 H ILE A 27 -0.180 0.968 2.150 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.575 1.318 5.004 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.007 2.492 2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.184 4.193 4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.653 2.850 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.721 4.227 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.312 2.619 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.908 3.337 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.579 4.802 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.349 3.444 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.198 4.809 1.980 1.00 0.00 H new ATOM 417 N LEU A 28 -2.961 0.061 3.077 1.00 0.00 N ATOM 418 CA LEU A 28 -4.174 -0.753 3.071 1.00 0.00 C ATOM 419 C LEU A 28 -3.953 -2.027 3.891 1.00 0.00 C ATOM 420 O LEU A 28 -4.803 -2.401 4.700 1.00 0.00 O ATOM 421 CB LEU A 28 -4.588 -1.090 1.629 1.00 0.00 C ATOM 422 CG LEU A 28 -6.108 -1.264 1.558 1.00 0.00 C ATOM 423 CD1 LEU A 28 -6.772 0.096 1.329 1.00 0.00 C ATOM 424 CD2 LEU A 28 -6.459 -2.201 0.399 1.00 0.00 C ATOM 0 H LEU A 28 -2.674 0.402 2.160 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.984 -0.185 3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.271 -0.295 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.092 -2.003 1.301 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.467 -1.689 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.853 -0.031 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.523 0.766 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.413 0.523 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.541 -2.326 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.098 -1.774 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.989 -3.171 0.560 1.00 0.00 H new ATOM 435 N ALA A 29 -2.812 -2.688 3.694 1.00 0.00 N ATOM 436 CA ALA A 29 -2.510 -3.908 4.436 1.00 0.00 C ATOM 437 C ALA A 29 -2.305 -3.586 5.915 1.00 0.00 C ATOM 438 O ALA A 29 -2.663 -4.374 6.791 1.00 0.00 O ATOM 439 CB ALA A 29 -1.246 -4.564 3.876 1.00 0.00 C ATOM 0 H ALA A 29 -2.090 -2.401 3.033 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.349 -4.596 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.029 -5.473 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.400 -4.813 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.407 -3.874 3.966 1.00 0.00 H new ATOM 445 N LEU A 30 -1.720 -2.424 6.179 1.00 0.00 N ATOM 446 CA LEU A 30 -1.465 -2.007 7.553 1.00 0.00 C ATOM 447 C LEU A 30 -2.734 -2.133 8.390 1.00 0.00 C ATOM 448 O LEU A 30 -2.686 -2.572 9.537 1.00 0.00 O ATOM 449 CB LEU A 30 -0.968 -0.559 7.580 1.00 0.00 C ATOM 450 CG LEU A 30 -0.015 -0.358 8.765 1.00 0.00 C ATOM 451 CD1 LEU A 30 1.346 -0.998 8.465 1.00 0.00 C ATOM 452 CD2 LEU A 30 0.178 1.140 9.009 1.00 0.00 C ATOM 0 H LEU A 30 -1.416 -1.759 5.468 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.698 -2.656 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.457 -0.323 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.814 0.124 7.662 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.444 -0.829 9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.013 -0.848 9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.215 -2.066 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.778 -0.535 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.855 1.287 9.851 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.602 1.602 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.785 1.599 9.233 1.00 0.00 H new ATOM 463 N TRP A 31 -3.868 -1.748 7.812 1.00 0.00 N ATOM 464 CA TRP A 31 -5.142 -1.829 8.520 1.00 0.00 C ATOM 465 C TRP A 31 -5.493 -3.278 8.838 1.00 0.00 C ATOM 466 O TRP A 31 -6.096 -3.573 9.870 1.00 0.00 O ATOM 467 CB TRP A 31 -6.273 -1.195 7.702 1.00 0.00 C ATOM 468 CG TRP A 31 -6.260 0.296 7.866 1.00 0.00 C ATOM 469 CD1 TRP A 31 -6.144 1.177 6.847 1.00 0.00 C ATOM 470 CD2 TRP A 31 -6.363 1.089 9.084 1.00 0.00 C ATOM 471 NE1 TRP A 31 -6.169 2.461 7.360 1.00 0.00 N ATOM 472 CE2 TRP A 31 -6.303 2.460 8.734 1.00 0.00 C ATOM 473 CE3 TRP A 31 -6.502 0.757 10.443 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -6.378 3.464 9.699 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.578 1.767 11.418 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.517 3.117 11.046 1.00 0.00 C ATOM 0 H TRP A 31 -3.932 -1.380 6.863 1.00 0.00 H new ATOM 0 HA TRP A 31 -5.032 -1.275 9.452 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.159 -1.453 6.649 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.234 -1.595 8.026 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.048 0.920 5.803 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.097 3.306 6.793 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -6.551 -0.280 10.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.329 4.503 9.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.684 1.501 12.459 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.577 3.888 11.799 1.00 0.00 H new ATOM 486 N LYS A 32 -5.083 -4.179 7.956 1.00 0.00 N ATOM 487 CA LYS A 32 -5.336 -5.595 8.177 1.00 0.00 C ATOM 488 C LYS A 32 -4.403 -6.078 9.275 1.00 0.00 C ATOM 489 O LYS A 32 -4.822 -6.721 10.235 1.00 0.00 O ATOM 490 CB LYS A 32 -5.085 -6.391 6.894 1.00 0.00 C ATOM 491 CG LYS A 32 -6.023 -5.892 5.788 1.00 0.00 C ATOM 492 CD LYS A 32 -6.777 -7.070 5.160 1.00 0.00 C ATOM 493 CE LYS A 32 -7.888 -7.532 6.106 1.00 0.00 C ATOM 494 NZ LYS A 32 -9.142 -6.790 5.797 1.00 0.00 N ATOM 0 H LYS A 32 -4.582 -3.960 7.095 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.376 -5.743 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.047 -6.279 6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.251 -7.453 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.733 -5.175 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.449 -5.369 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.202 -6.773 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.089 -7.892 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.051 -8.604 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.595 -7.358 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.898 -7.103 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.982 -5.770 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.423 -6.978 4.814 1.00 0.00 H new ATOM 504 N ILE A 33 -3.130 -5.747 9.118 1.00 0.00 N ATOM 505 CA ILE A 33 -2.118 -6.132 10.090 1.00 0.00 C ATOM 506 C ILE A 33 -2.107 -5.139 11.246 1.00 0.00 C ATOM 507 O ILE A 33 -1.239 -5.194 12.115 1.00 0.00 O ATOM 508 CB ILE A 33 -0.740 -6.174 9.426 1.00 0.00 C ATOM 509 CG1 ILE A 33 -0.750 -7.211 8.300 1.00 0.00 C ATOM 510 CG2 ILE A 33 0.317 -6.560 10.464 1.00 0.00 C ATOM 511 CD1 ILE A 33 0.248 -6.801 7.215 1.00 0.00 C ATOM 0 H ILE A 33 -2.773 -5.212 8.326 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.355 -7.124 10.473 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.504 -5.192 9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.490 -8.193 8.695 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.751 -7.292 7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.298 -6.590 9.990 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.324 -5.823 11.267 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.082 -7.542 10.874 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.239 -7.541 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.032 -5.827 6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.248 -6.743 7.644 1.00 0.00 H new ATOM 522 N GLY A 34 -3.077 -4.229 11.237 1.00 0.00 N ATOM 523 CA GLY A 34 -3.182 -3.213 12.280 1.00 0.00 C ATOM 524 C GLY A 34 -4.459 -3.395 13.095 1.00 0.00 C ATOM 525 O GLY A 34 -4.426 -3.918 14.208 1.00 0.00 O ATOM 0 H GLY A 34 -3.801 -4.174 10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.315 -3.272 12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.173 -2.221 11.828 1.00 0.00 H new ATOM 529 N PHE A 35 -5.582 -2.959 12.535 1.00 0.00 N ATOM 530 CA PHE A 35 -6.863 -3.081 13.224 1.00 0.00 C ATOM 531 C PHE A 35 -6.987 -4.446 13.867 1.00 0.00 C ATOM 532 O PHE A 35 -7.689 -4.626 14.862 1.00 0.00 O ATOM 533 CB PHE A 35 -8.006 -2.879 12.240 1.00 0.00 C ATOM 534 CG PHE A 35 -9.089 -2.083 12.913 1.00 0.00 C ATOM 535 CD1 PHE A 35 -10.066 -2.734 13.676 1.00 0.00 C ATOM 536 CD2 PHE A 35 -9.115 -0.691 12.783 1.00 0.00 C ATOM 537 CE1 PHE A 35 -11.070 -1.990 14.308 1.00 0.00 C ATOM 538 CE2 PHE A 35 -10.119 0.054 13.415 1.00 0.00 C ATOM 539 CZ PHE A 35 -11.096 -0.596 14.178 1.00 0.00 C ATOM 0 H PHE A 35 -5.633 -2.522 11.615 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.913 -2.316 13.999 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.651 -2.357 11.351 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -8.395 -3.842 11.910 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -10.045 -3.809 13.777 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.360 -0.190 12.195 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -11.825 -2.492 14.896 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -10.139 1.129 13.314 1.00 0.00 H new ATOM 0 HZ PHE A 35 -11.870 -0.022 14.666 1.00 0.00 H new ATOM 548 N PHE A 36 -6.260 -5.388 13.310 1.00 0.00 N ATOM 549 CA PHE A 36 -6.237 -6.739 13.846 1.00 0.00 C ATOM 550 C PHE A 36 -5.173 -6.796 14.930 1.00 0.00 C ATOM 551 O PHE A 36 -5.404 -7.293 16.033 1.00 0.00 O ATOM 552 CB PHE A 36 -5.908 -7.735 12.735 1.00 0.00 C ATOM 553 CG PHE A 36 -6.410 -9.112 13.100 1.00 0.00 C ATOM 554 CD1 PHE A 36 -7.760 -9.434 12.913 1.00 0.00 C ATOM 555 CD2 PHE A 36 -5.525 -10.071 13.605 1.00 0.00 C ATOM 556 CE1 PHE A 36 -8.224 -10.716 13.231 1.00 0.00 C ATOM 557 CE2 PHE A 36 -5.989 -11.353 13.922 1.00 0.00 C ATOM 558 CZ PHE A 36 -7.339 -11.676 13.735 1.00 0.00 C ATOM 0 H PHE A 36 -5.675 -5.248 12.486 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.211 -6.999 14.260 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.364 -7.410 11.800 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.831 -7.765 12.571 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.443 -8.694 12.524 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.484 -9.822 13.750 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.265 -10.964 13.087 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.306 -12.093 14.311 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.697 -12.665 13.980 1.00 0.00 H new ATOM 567 N LYS A 37 -4.002 -6.270 14.590 1.00 0.00 N ATOM 568 CA LYS A 37 -2.879 -6.243 15.522 1.00 0.00 C ATOM 569 C LYS A 37 -3.054 -5.102 16.515 1.00 0.00 C ATOM 570 O LYS A 37 -2.088 -4.631 17.114 1.00 0.00 O ATOM 571 CB LYS A 37 -1.563 -6.058 14.760 1.00 0.00 C ATOM 572 CG LYS A 37 -0.377 -6.400 15.672 1.00 0.00 C ATOM 573 CD LYS A 37 0.266 -7.713 15.217 1.00 0.00 C ATOM 574 CE LYS A 37 1.049 -7.480 13.925 1.00 0.00 C ATOM 575 NZ LYS A 37 0.750 -8.574 12.959 1.00 0.00 N ATOM 0 H LYS A 37 -3.805 -5.857 13.678 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.851 -7.190 16.060 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.551 -6.698 13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.478 -5.030 14.409 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.358 -5.596 15.645 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.714 -6.488 16.705 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.930 -8.092 15.993 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.502 -8.470 15.057 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.781 -6.516 13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.118 -7.448 14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.369 -8.483 12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.915 -9.494 13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.244 -8.510 12.659 1.00 0.00 H new ATOM 585 N ARG A 38 -4.297 -4.656 16.663 1.00 0.00 N ATOM 586 CA ARG A 38 -4.611 -3.556 17.570 1.00 0.00 C ATOM 587 C ARG A 38 -5.531 -4.022 18.701 1.00 0.00 C ATOM 588 O ARG A 38 -6.749 -3.887 18.601 1.00 0.00 O ATOM 589 CB ARG A 38 -5.301 -2.434 16.794 1.00 0.00 C ATOM 590 CG ARG A 38 -5.559 -1.252 17.732 1.00 0.00 C ATOM 591 CD ARG A 38 -5.943 -0.020 16.911 1.00 0.00 C ATOM 592 NE ARG A 38 -4.905 0.276 15.930 1.00 0.00 N ATOM 593 CZ ARG A 38 -3.719 0.743 16.306 1.00 0.00 C ATOM 594 NH1 ARG A 38 -3.467 0.942 17.571 1.00 0.00 N ATOM 595 NH2 ARG A 38 -2.806 1.001 15.410 1.00 0.00 N ATOM 0 H ARG A 38 -5.103 -5.038 16.168 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.679 -3.195 18.004 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.678 -2.119 15.957 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.241 -2.792 16.375 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.357 -1.498 18.432 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.668 -1.044 18.324 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.893 -0.193 16.405 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.085 0.836 17.571 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.092 0.122 14.939 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.180 0.739 18.271 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.557 1.300 17.859 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.003 0.844 14.422 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.896 1.359 15.698 1.00 0.00 H new ATOM 606 N PRO A 39 -4.978 -4.560 19.767 1.00 0.00 N ATOM 607 CA PRO A 39 -5.777 -5.041 20.940 1.00 0.00 C ATOM 608 C PRO A 39 -6.708 -3.957 21.494 1.00 0.00 C ATOM 609 O PRO A 39 -7.363 -3.242 20.739 1.00 0.00 O ATOM 610 CB PRO A 39 -4.713 -5.440 21.972 1.00 0.00 C ATOM 611 CG PRO A 39 -3.475 -5.700 21.185 1.00 0.00 C ATOM 612 CD PRO A 39 -3.536 -4.778 19.972 1.00 0.00 C ATOM 0 HA PRO A 39 -6.440 -5.864 20.671 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.555 -4.645 22.701 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.018 -6.326 22.528 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.586 -5.498 21.782 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.422 -6.744 20.877 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.012 -3.840 20.156 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.073 -5.236 19.098 1.00 0.00 H new ATOM 617 N LEU A 40 -6.764 -3.837 22.816 1.00 0.00 N ATOM 618 CA LEU A 40 -7.621 -2.834 23.439 1.00 0.00 C ATOM 619 C LEU A 40 -6.957 -2.261 24.688 1.00 0.00 C ATOM 620 O LEU A 40 -6.416 -3.000 25.509 1.00 0.00 O ATOM 621 CB LEU A 40 -8.972 -3.452 23.805 1.00 0.00 C ATOM 622 CG LEU A 40 -8.753 -4.699 24.668 1.00 0.00 C ATOM 623 CD1 LEU A 40 -9.424 -4.505 26.031 1.00 0.00 C ATOM 624 CD2 LEU A 40 -9.365 -5.915 23.972 1.00 0.00 C ATOM 0 H LEU A 40 -6.234 -4.413 23.470 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.779 -2.025 22.726 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.580 -2.726 24.345 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.519 -3.716 22.900 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.684 -4.857 24.808 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.267 -5.393 26.643 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.990 -3.639 26.530 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.493 -4.345 25.891 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.209 -6.802 24.586 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.434 -5.754 23.831 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.889 -6.057 23.002 1.00 0.00 H new ATOM 635 N LYS A 41 -7.003 -0.937 24.816 1.00 0.00 N ATOM 636 CA LYS A 41 -6.406 -0.264 25.966 1.00 0.00 C ATOM 637 C LYS A 41 -6.796 -0.972 27.260 1.00 0.00 C ATOM 638 O LYS A 41 -7.573 -1.927 27.244 1.00 0.00 O ATOM 639 CB LYS A 41 -6.868 1.194 26.018 1.00 0.00 C ATOM 640 CG LYS A 41 -6.533 1.885 24.692 1.00 0.00 C ATOM 641 CD LYS A 41 -7.811 2.070 23.873 1.00 0.00 C ATOM 642 CE LYS A 41 -7.448 2.462 22.438 1.00 0.00 C ATOM 643 NZ LYS A 41 -6.058 3.001 22.400 1.00 0.00 N ATOM 0 H LYS A 41 -7.445 -0.312 24.142 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.322 -0.295 25.860 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.941 1.240 26.203 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.380 1.712 26.844 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.067 2.852 24.882 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.813 1.289 24.131 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.392 1.148 23.873 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.436 2.840 24.324 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.530 1.595 21.782 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.149 3.210 22.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.880 3.436 21.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.943 3.717 23.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.381 2.227 22.555 1.00 0.00 H new ATOM 653 N LYS A 42 -6.261 -0.500 28.383 1.00 0.00 N ATOM 654 CA LYS A 42 -6.572 -1.106 29.672 1.00 0.00 C ATOM 655 C LYS A 42 -7.953 -0.669 30.151 1.00 0.00 C ATOM 656 O LYS A 42 -8.323 0.497 30.014 1.00 0.00 O ATOM 657 CB LYS A 42 -5.521 -0.703 30.710 1.00 0.00 C ATOM 658 CG LYS A 42 -4.122 -0.786 30.092 1.00 0.00 C ATOM 659 CD LYS A 42 -3.859 -2.212 29.602 1.00 0.00 C ATOM 660 CE LYS A 42 -2.362 -2.510 29.676 1.00 0.00 C ATOM 661 NZ LYS A 42 -1.598 -1.372 29.087 1.00 0.00 N ATOM 0 H LYS A 42 -5.618 0.291 28.426 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.566 -2.189 29.551 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.714 0.311 31.061 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.584 -1.359 31.578 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.038 -0.085 29.262 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.371 -0.500 30.828 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.413 -2.925 30.212 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.213 -2.327 28.577 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.062 -2.665 30.712 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.137 -3.431 29.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.676 -1.712 28.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.133 -0.970 28.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.452 -0.640 29.811 1.00 0.00 H new ATOM 671 N LYS A 43 -8.707 -1.617 30.703 1.00 0.00 N ATOM 672 CA LYS A 43 -10.054 -1.340 31.201 1.00 0.00 C ATOM 673 C LYS A 43 -10.154 0.072 31.778 1.00 0.00 C ATOM 674 O LYS A 43 -9.711 0.329 32.898 1.00 0.00 O ATOM 675 CB LYS A 43 -10.426 -2.359 32.281 1.00 0.00 C ATOM 676 CG LYS A 43 -11.902 -2.202 32.649 1.00 0.00 C ATOM 677 CD LYS A 43 -12.263 -3.193 33.756 1.00 0.00 C ATOM 678 CE LYS A 43 -13.249 -4.227 33.212 1.00 0.00 C ATOM 679 NZ LYS A 43 -14.524 -3.551 32.841 1.00 0.00 N ATOM 0 H LYS A 43 -8.408 -2.586 30.817 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.746 -1.418 30.362 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.236 -3.370 31.922 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.803 -2.212 33.163 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.098 -1.183 32.982 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.526 -2.377 31.773 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.364 -3.689 34.122 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.703 -2.665 34.602 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.824 -4.728 32.342 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.437 -4.995 33.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.318 -4.208 32.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.660 -2.713 33.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.485 -3.259 31.844 1.00 0.00 H new ATOM 689 N MET A 44 -10.743 0.980 31.004 1.00 0.00 N ATOM 690 CA MET A 44 -10.902 2.363 31.444 1.00 0.00 C ATOM 691 C MET A 44 -12.314 2.593 31.979 1.00 0.00 C ATOM 692 O MET A 44 -12.669 2.104 33.050 1.00 0.00 O ATOM 693 CB MET A 44 -10.639 3.322 30.277 1.00 0.00 C ATOM 694 CG MET A 44 -9.207 3.144 29.766 1.00 0.00 C ATOM 695 SD MET A 44 -8.589 4.728 29.145 1.00 0.00 S ATOM 696 CE MET A 44 -6.906 4.593 29.800 1.00 0.00 C ATOM 0 H MET A 44 -11.116 0.785 30.075 1.00 0.00 H new ATOM 0 HA MET A 44 -10.182 2.554 32.240 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.348 3.131 29.471 1.00 0.00 H new ATOM 0 HB3 MET A 44 -10.793 4.352 30.600 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.565 2.780 30.569 1.00 0.00 H new ATOM 0 HG3 MET A 44 -9.182 2.396 28.974 1.00 0.00 H new ATOM 0 HE1 MET A 44 -6.337 5.482 29.528 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.944 4.504 30.886 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.422 3.711 29.381 1.00 0.00 H new ATOM 704 N GLU A 45 -13.114 3.338 31.223 1.00 0.00 N ATOM 705 CA GLU A 45 -14.485 3.625 31.628 1.00 0.00 C ATOM 706 C GLU A 45 -15.337 3.975 30.412 1.00 0.00 C ATOM 707 O GLU A 45 -14.880 4.660 29.499 1.00 0.00 O ATOM 708 CB GLU A 45 -14.506 4.788 32.621 1.00 0.00 C ATOM 709 CG GLU A 45 -15.607 4.555 33.659 1.00 0.00 C ATOM 710 CD GLU A 45 -15.967 5.870 34.341 1.00 0.00 C ATOM 711 OE1 GLU A 45 -15.057 6.599 34.696 1.00 0.00 O ATOM 712 OE2 GLU A 45 -17.150 6.129 34.493 1.00 0.00 O ATOM 0 H GLU A 45 -12.839 3.752 30.332 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.898 2.736 32.105 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.538 4.875 33.115 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.681 5.726 32.094 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.489 4.132 33.177 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.271 3.831 34.401 1.00 0.00 H new ATOM 717 N LYS A 46 -16.577 3.499 30.409 1.00 0.00 N ATOM 718 CA LYS A 46 -17.485 3.767 29.300 1.00 0.00 C ATOM 719 C LYS A 46 -18.479 4.861 29.675 1.00 0.00 C ATOM 720 O LYS A 46 -18.119 5.716 30.467 1.00 0.00 O ATOM 721 CB LYS A 46 -18.241 2.492 28.926 1.00 0.00 C ATOM 722 CG LYS A 46 -18.881 1.889 30.178 1.00 0.00 C ATOM 723 CD LYS A 46 -19.781 0.719 29.780 1.00 0.00 C ATOM 724 CE LYS A 46 -21.232 1.196 29.694 1.00 0.00 C ATOM 725 NZ LYS A 46 -21.673 1.689 31.030 1.00 0.00 N ATOM 0 H LYS A 46 -16.974 2.930 31.156 1.00 0.00 H new ATOM 0 HA LYS A 46 -16.898 4.104 28.446 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -19.008 2.716 28.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -17.559 1.773 28.471 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -18.107 1.548 30.866 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -19.463 2.647 30.702 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -19.463 0.313 28.820 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.694 -0.085 30.511 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.321 1.991 28.954 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -21.875 0.380 29.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -22.682 1.474 31.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -21.117 1.221 31.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.528 2.717 31.086 1.00 0.00 H new TER 735 LYS A 46