USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 681 hydrogens (55 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 Set 1.1: A 16 LYS NZ :NH3+ -120:sc= -6.58! (180deg=-4.29!) USER MOD Set 1.2: A 47 ASN : amide:sc= -7.02! C(o=-14!,f=-6.6!) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.131 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00914 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 0.424 (180deg=-0.797!) USER MOD Single : A 10 SER OG : rot 82:sc= -1.87! USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= -1.54 (180deg=-2.04!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 51:sc= 1.28 USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= -1.4 (180deg=-1.95!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00366 USER MOD Single : A 46 MET CE :methyl -152:sc= -0.224 (180deg=-1.33) USER MOD Single : A 55 ASN : amide:sc= -13.1! C(o=-13!,f=-5.3!) USER MOD Single : A 60 LYS NZ :NH3+ -141:sc= -0.0952 (180deg=-1.99!) USER MOD Single : A 62 GLN : amide:sc= -0.0471 K(o=-0.047,f=-1.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -113:sc= -0.0829 USER MOD Single : A 68 GLN : amide:sc= -5.41! K(o=-5.4!,f=-0.31) USER MOD Single : A 69 GLN : amide:sc= -0.202 K(o=-0.2,f=-1) USER MOD Single : A 80 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0835) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot 180:sc=-0.00659 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.689 -4.298 6.975 1.00 1.00 N ATOM 2 CA ALA A 1 -9.816 -4.339 5.493 1.00 1.00 C ATOM 3 C ALA A 1 -10.040 -5.785 5.050 1.00 1.00 C ATOM 4 O ALA A 1 -9.895 -6.719 5.841 1.00 1.00 O ATOM 5 CB ALA A 1 -8.543 -3.775 4.856 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.503 -3.793 7.379 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.663 -5.268 7.348 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.812 -3.804 7.235 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.664 -3.733 5.173 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.635 -3.805 3.770 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.400 -2.744 5.180 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.686 -4.374 5.164 1.00 1.00 H new ATOM 13 N LYS A 2 -10.395 -5.960 3.785 1.00 1.00 N ATOM 14 CA LYS A 2 -10.645 -7.285 3.234 1.00 1.00 C ATOM 15 C LYS A 2 -9.330 -7.977 2.901 1.00 1.00 C ATOM 16 O LYS A 2 -8.346 -7.331 2.551 1.00 1.00 O ATOM 17 CB LYS A 2 -11.496 -7.163 1.966 1.00 1.00 C ATOM 18 CG LYS A 2 -12.831 -6.467 2.273 1.00 1.00 C ATOM 19 CD LYS A 2 -13.795 -7.436 2.969 1.00 1.00 C ATOM 20 CE LYS A 2 -15.141 -6.744 3.187 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.054 -7.678 3.898 1.00 1.00 N ATOM 0 H LYS A 2 -10.517 -5.198 3.118 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.178 -7.879 3.976 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -10.951 -6.598 1.209 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.683 -8.153 1.551 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -12.657 -5.599 2.908 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.278 -6.101 1.349 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.928 -8.332 2.363 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.379 -7.756 3.924 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.006 -5.833 3.769 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.573 -6.450 2.230 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.973 -7.216 4.051 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -16.189 -8.535 3.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -15.640 -7.937 4.816 1.00 1.00 H new ATOM 35 N LYS A 3 -9.323 -9.296 3.018 1.00 1.00 N ATOM 36 CA LYS A 3 -8.124 -10.069 2.738 1.00 1.00 C ATOM 37 C LYS A 3 -7.685 -9.881 1.293 1.00 1.00 C ATOM 38 O LYS A 3 -6.491 -9.805 1.003 1.00 1.00 O ATOM 39 CB LYS A 3 -8.387 -11.548 2.994 1.00 1.00 C ATOM 40 CG LYS A 3 -8.662 -11.771 4.482 1.00 1.00 C ATOM 41 CD LYS A 3 -8.720 -13.274 4.780 1.00 1.00 C ATOM 42 CE LYS A 3 -9.918 -13.904 4.065 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.204 -15.239 4.665 1.00 1.00 N ATOM 0 H LYS A 3 -10.130 -9.851 3.303 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.331 -9.716 3.397 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.239 -11.884 2.402 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.527 -12.140 2.680 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -7.880 -11.302 5.080 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.604 -11.299 4.762 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.797 -13.754 4.453 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -8.801 -13.437 5.855 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.791 -13.258 4.155 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.707 -14.008 3.001 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.018 -15.670 4.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.372 -15.854 4.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.422 -15.126 5.676 1.00 1.00 H new ATOM 57 N GLU A 4 -8.652 -9.818 0.386 1.00 1.00 N ATOM 58 CA GLU A 4 -8.344 -9.649 -1.024 1.00 1.00 C ATOM 59 C GLU A 4 -7.539 -8.370 -1.250 1.00 1.00 C ATOM 60 O GLU A 4 -6.540 -8.371 -1.969 1.00 1.00 O ATOM 61 CB GLU A 4 -9.646 -9.587 -1.833 1.00 1.00 C ATOM 62 CG GLU A 4 -10.437 -8.331 -1.450 1.00 1.00 C ATOM 63 CD GLU A 4 -11.882 -8.453 -1.925 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.553 -9.371 -1.483 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.298 -7.623 -2.716 1.00 1.00 O ATOM 0 H GLU A 4 -9.647 -9.881 0.601 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.747 -10.500 -1.354 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.422 -9.575 -2.900 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.246 -10.477 -1.643 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.412 -8.192 -0.369 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -9.973 -7.451 -1.895 1.00 1.00 H new ATOM 72 N THR A 5 -7.985 -7.276 -0.633 1.00 1.00 N ATOM 73 CA THR A 5 -7.305 -5.993 -0.780 1.00 1.00 C ATOM 74 C THR A 5 -5.952 -6.018 -0.080 1.00 1.00 C ATOM 75 O THR A 5 -4.958 -5.520 -0.603 1.00 1.00 O ATOM 76 CB THR A 5 -8.172 -4.856 -0.217 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.533 -5.107 -0.539 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.753 -3.524 -0.854 1.00 1.00 C ATOM 0 H THR A 5 -8.808 -7.254 -0.031 1.00 1.00 H new ATOM 0 HA THR A 5 -7.142 -5.815 -1.843 1.00 1.00 H new ATOM 0 HB THR A 5 -8.043 -4.804 0.864 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.092 -4.386 -0.181 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.369 -2.719 -0.453 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.705 -3.326 -0.628 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.886 -3.579 -1.934 1.00 1.00 H new ATOM 86 N ILE A 6 -5.926 -6.607 1.110 1.00 1.00 N ATOM 87 CA ILE A 6 -4.697 -6.694 1.884 1.00 1.00 C ATOM 88 C ILE A 6 -3.634 -7.485 1.133 1.00 1.00 C ATOM 89 O ILE A 6 -2.469 -7.087 1.094 1.00 1.00 O ATOM 90 CB ILE A 6 -4.990 -7.392 3.226 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.847 -6.474 4.105 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.681 -7.717 3.948 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.382 -7.267 5.306 1.00 1.00 C ATOM 0 H ILE A 6 -6.740 -7.029 1.557 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.324 -5.684 2.054 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.528 -8.320 3.033 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.255 -5.627 4.450 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.676 -6.068 3.525 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.901 -8.210 4.895 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.077 -8.378 3.326 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.132 -6.795 4.138 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -6.991 -6.614 5.931 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -6.989 -8.100 4.951 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.546 -7.651 5.890 1.00 1.00 H new ATOM 105 N ASP A 7 -4.032 -8.593 0.531 1.00 1.00 N ATOM 106 CA ASP A 7 -3.091 -9.422 -0.205 1.00 1.00 C ATOM 107 C ASP A 7 -2.525 -8.638 -1.389 1.00 1.00 C ATOM 108 O ASP A 7 -1.352 -8.773 -1.737 1.00 1.00 O ATOM 109 CB ASP A 7 -3.799 -10.697 -0.698 1.00 1.00 C ATOM 110 CG ASP A 7 -3.805 -11.780 0.388 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.198 -11.567 1.425 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.421 -12.807 0.162 1.00 1.00 O ATOM 0 H ASP A 7 -4.992 -8.938 0.536 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.269 -9.706 0.452 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.823 -10.460 -0.985 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.297 -11.074 -1.589 1.00 1.00 H new ATOM 117 N LYS A 8 -3.363 -7.818 -1.998 1.00 1.00 N ATOM 118 CA LYS A 8 -2.932 -7.019 -3.135 1.00 1.00 C ATOM 119 C LYS A 8 -1.921 -5.972 -2.706 1.00 1.00 C ATOM 120 O LYS A 8 -0.897 -5.784 -3.356 1.00 1.00 O ATOM 121 CB LYS A 8 -4.148 -6.314 -3.734 1.00 1.00 C ATOM 122 CG LYS A 8 -5.074 -7.328 -4.430 1.00 1.00 C ATOM 123 CD LYS A 8 -4.630 -7.565 -5.888 1.00 1.00 C ATOM 124 CE LYS A 8 -5.275 -6.518 -6.803 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.859 -6.765 -8.213 1.00 1.00 N ATOM 0 H LYS A 8 -4.338 -7.687 -1.729 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.467 -7.677 -3.869 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.696 -5.792 -2.949 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.822 -5.560 -4.450 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.063 -8.271 -3.884 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.100 -6.961 -4.413 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.544 -7.506 -5.961 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.917 -8.567 -6.207 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.361 -6.566 -6.719 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.976 -5.516 -6.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.520 -6.288 -8.859 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.899 -6.393 -8.362 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.867 -7.787 -8.403 1.00 1.00 H new ATOM 139 N VAL A 9 -2.219 -5.282 -1.619 1.00 1.00 N ATOM 140 CA VAL A 9 -1.327 -4.243 -1.143 1.00 1.00 C ATOM 141 C VAL A 9 0.038 -4.820 -0.826 1.00 1.00 C ATOM 142 O VAL A 9 1.064 -4.268 -1.224 1.00 1.00 O ATOM 143 CB VAL A 9 -1.907 -3.591 0.114 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.879 -2.632 0.724 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.160 -2.805 -0.253 1.00 1.00 C ATOM 0 H VAL A 9 -3.059 -5.420 -1.057 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.222 -3.493 -1.927 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.155 -4.369 0.836 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.298 -2.171 1.619 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.022 -3.185 0.989 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.629 -1.857 -0.001 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.573 -2.340 0.642 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -2.905 -2.032 -0.978 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.899 -3.479 -0.686 1.00 1.00 H new ATOM 155 N SER A 10 0.043 -5.922 -0.104 1.00 1.00 N ATOM 156 CA SER A 10 1.294 -6.548 0.261 1.00 1.00 C ATOM 157 C SER A 10 2.050 -6.971 -0.987 1.00 1.00 C ATOM 158 O SER A 10 3.243 -6.712 -1.119 1.00 1.00 O ATOM 159 CB SER A 10 1.027 -7.776 1.135 1.00 1.00 C ATOM 160 OG SER A 10 0.157 -7.413 2.198 1.00 1.00 O ATOM 0 H SER A 10 -0.793 -6.396 0.237 1.00 1.00 H new ATOM 0 HA SER A 10 1.895 -5.830 0.819 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.580 -8.571 0.539 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.964 -8.165 1.533 1.00 1.00 H new ATOM 0 HG SER A 10 -0.769 -7.417 1.878 1.00 1.00 H new ATOM 166 N ASP A 11 1.340 -7.597 -1.912 1.00 1.00 N ATOM 167 CA ASP A 11 1.944 -8.057 -3.139 1.00 1.00 C ATOM 168 C ASP A 11 2.757 -6.953 -3.792 1.00 1.00 C ATOM 169 O ASP A 11 3.908 -7.161 -4.159 1.00 1.00 O ATOM 170 CB ASP A 11 0.843 -8.525 -4.096 1.00 1.00 C ATOM 171 CG ASP A 11 0.246 -9.848 -3.627 1.00 1.00 C ATOM 172 OD1 ASP A 11 0.844 -10.480 -2.773 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.805 -10.209 -4.131 1.00 1.00 O ATOM 0 H ASP A 11 0.343 -7.796 -1.830 1.00 1.00 H new ATOM 0 HA ASP A 11 2.616 -8.884 -2.911 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.061 -7.768 -4.156 1.00 1.00 H new ATOM 0 HB3 ASP A 11 1.252 -8.641 -5.100 1.00 1.00 H new ATOM 178 N ILE A 12 2.176 -5.778 -3.924 1.00 1.00 N ATOM 179 CA ILE A 12 2.895 -4.681 -4.549 1.00 1.00 C ATOM 180 C ILE A 12 4.261 -4.493 -3.889 1.00 1.00 C ATOM 181 O ILE A 12 5.287 -4.482 -4.562 1.00 1.00 O ATOM 182 CB ILE A 12 2.049 -3.387 -4.412 1.00 1.00 C ATOM 183 CG1 ILE A 12 1.118 -3.198 -5.620 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.933 -2.140 -4.270 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.008 -4.228 -5.597 1.00 1.00 C ATOM 0 H ILE A 12 1.229 -5.558 -3.615 1.00 1.00 H new ATOM 0 HA ILE A 12 3.057 -4.905 -5.603 1.00 1.00 H new ATOM 0 HB ILE A 12 1.453 -3.505 -3.507 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.698 -2.192 -5.609 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.688 -3.295 -6.544 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.303 -1.256 -4.177 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.557 -2.236 -3.382 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.568 -2.042 -5.151 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.656 -4.078 -6.460 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.416 -5.232 -5.632 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.589 -4.111 -4.682 1.00 1.00 H new ATOM 197 N VAL A 13 4.262 -4.354 -2.579 1.00 1.00 N ATOM 198 CA VAL A 13 5.495 -4.153 -1.846 1.00 1.00 C ATOM 199 C VAL A 13 6.401 -5.351 -2.014 1.00 1.00 C ATOM 200 O VAL A 13 7.594 -5.204 -2.206 1.00 1.00 O ATOM 201 CB VAL A 13 5.195 -3.930 -0.358 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.441 -3.384 0.342 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.043 -2.929 -0.202 1.00 1.00 C ATOM 0 H VAL A 13 3.423 -4.377 -2.000 1.00 1.00 H new ATOM 0 HA VAL A 13 5.997 -3.270 -2.242 1.00 1.00 H new ATOM 0 HB VAL A 13 4.910 -4.880 0.094 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.225 -3.227 1.399 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.258 -4.099 0.241 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.729 -2.437 -0.114 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.835 -2.775 0.857 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.322 -1.979 -0.659 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.152 -3.320 -0.693 1.00 1.00 H new ATOM 213 N LYS A 14 5.834 -6.537 -1.933 1.00 1.00 N ATOM 214 CA LYS A 14 6.631 -7.742 -2.075 1.00 1.00 C ATOM 215 C LYS A 14 7.221 -7.849 -3.474 1.00 1.00 C ATOM 216 O LYS A 14 8.335 -8.336 -3.654 1.00 1.00 O ATOM 217 CB LYS A 14 5.780 -8.975 -1.821 1.00 1.00 C ATOM 218 CG LYS A 14 5.208 -8.924 -0.385 1.00 1.00 C ATOM 219 CD LYS A 14 5.077 -10.339 0.249 1.00 1.00 C ATOM 220 CE LYS A 14 5.894 -10.424 1.552 1.00 1.00 C ATOM 221 NZ LYS A 14 5.188 -9.666 2.621 1.00 1.00 N ATOM 0 H LYS A 14 4.839 -6.694 -1.772 1.00 1.00 H new ATOM 0 HA LYS A 14 7.437 -7.684 -1.344 1.00 1.00 H new ATOM 0 HB2 LYS A 14 4.967 -9.024 -2.546 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.379 -9.876 -1.953 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.854 -8.307 0.239 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.229 -8.444 -0.403 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.029 -10.556 0.455 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.426 -11.094 -0.456 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.019 -11.465 1.850 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.892 -10.014 1.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.734 -8.814 2.861 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.244 -9.389 2.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.092 -10.265 3.466 1.00 1.00 H new ATOM 235 N GLU A 15 6.454 -7.411 -4.464 1.00 1.00 N ATOM 236 CA GLU A 15 6.894 -7.482 -5.846 1.00 1.00 C ATOM 237 C GLU A 15 8.117 -6.608 -6.057 1.00 1.00 C ATOM 238 O GLU A 15 8.955 -6.890 -6.909 1.00 1.00 O ATOM 239 CB GLU A 15 5.759 -7.038 -6.775 1.00 1.00 C ATOM 240 CG GLU A 15 4.703 -8.148 -6.879 1.00 1.00 C ATOM 241 CD GLU A 15 3.482 -7.635 -7.637 1.00 1.00 C ATOM 242 OE1 GLU A 15 3.531 -6.509 -8.107 1.00 1.00 O ATOM 243 OE2 GLU A 15 2.515 -8.373 -7.738 1.00 1.00 O ATOM 0 H GLU A 15 5.528 -7.005 -4.334 1.00 1.00 H new ATOM 0 HA GLU A 15 7.162 -8.513 -6.079 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.302 -6.124 -6.394 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.156 -6.808 -7.764 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.122 -9.014 -7.391 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.411 -8.478 -5.882 1.00 1.00 H new ATOM 250 N LYS A 16 8.209 -5.543 -5.275 1.00 1.00 N ATOM 251 CA LYS A 16 9.333 -4.636 -5.394 1.00 1.00 C ATOM 252 C LYS A 16 10.635 -5.387 -5.083 1.00 1.00 C ATOM 253 O LYS A 16 11.605 -5.294 -5.839 1.00 1.00 O ATOM 254 CB LYS A 16 9.130 -3.431 -4.441 1.00 1.00 C ATOM 255 CG LYS A 16 8.472 -2.253 -5.154 1.00 1.00 C ATOM 256 CD LYS A 16 7.027 -2.588 -5.481 1.00 1.00 C ATOM 257 CE LYS A 16 6.484 -1.581 -6.489 1.00 1.00 C ATOM 258 NZ LYS A 16 5.156 -2.046 -6.959 1.00 1.00 N ATOM 0 H LYS A 16 7.526 -5.290 -4.560 1.00 1.00 H new ATOM 0 HA LYS A 16 9.399 -4.254 -6.413 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.513 -3.735 -3.596 1.00 1.00 H new ATOM 0 HB3 LYS A 16 10.093 -3.120 -4.037 1.00 1.00 H new ATOM 0 HG2 LYS A 16 8.515 -1.365 -4.523 1.00 1.00 H new ATOM 0 HG3 LYS A 16 9.017 -2.020 -6.069 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.960 -3.597 -5.888 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.424 -2.570 -4.573 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.399 -0.596 -6.030 1.00 1.00 H new ATOM 0 HE3 LYS A 16 7.169 -1.482 -7.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.183 -2.190 -7.989 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 4.916 -2.943 -6.490 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 4.436 -1.331 -6.728 1.00 1.00 H new ATOM 272 N LEU A 17 10.650 -6.147 -3.985 1.00 1.00 N ATOM 273 CA LEU A 17 11.831 -6.910 -3.622 1.00 1.00 C ATOM 274 C LEU A 17 11.753 -8.311 -4.207 1.00 1.00 C ATOM 275 O LEU A 17 12.697 -9.092 -4.107 1.00 1.00 O ATOM 276 CB LEU A 17 11.918 -7.019 -2.113 1.00 1.00 C ATOM 277 CG LEU A 17 11.626 -5.673 -1.451 1.00 1.00 C ATOM 278 CD1 LEU A 17 12.437 -4.557 -2.137 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.114 -5.347 -1.479 1.00 1.00 C ATOM 0 H LEU A 17 9.864 -6.246 -3.343 1.00 1.00 H new ATOM 0 HA LEU A 17 12.710 -6.400 -4.015 1.00 1.00 H new ATOM 0 HB2 LEU A 17 11.208 -7.765 -1.757 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.912 -7.362 -1.826 1.00 1.00 H new ATOM 0 HG LEU A 17 11.929 -5.736 -0.406 1.00 1.00 H new ATOM 0 HD11 LEU A 17 12.221 -3.603 -1.657 1.00 1.00 H new ATOM 0 HD12 LEU A 17 13.501 -4.774 -2.049 1.00 1.00 H new ATOM 0 HD13 LEU A 17 12.163 -4.503 -3.191 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.941 -4.383 -1.000 1.00 1.00 H new ATOM 0 HD22 LEU A 17 9.770 -5.306 -2.512 1.00 1.00 H new ATOM 0 HD23 LEU A 17 9.565 -6.122 -0.944 1.00 1.00 H new ATOM 291 N ALA A 18 10.613 -8.622 -4.800 1.00 1.00 N ATOM 292 CA ALA A 18 10.402 -9.938 -5.385 1.00 1.00 C ATOM 293 C ALA A 18 10.093 -10.957 -4.297 1.00 1.00 C ATOM 294 O ALA A 18 10.556 -12.095 -4.348 1.00 1.00 O ATOM 295 CB ALA A 18 11.651 -10.367 -6.180 1.00 1.00 C ATOM 0 H ALA A 18 9.821 -7.985 -4.890 1.00 1.00 H new ATOM 0 HA ALA A 18 9.551 -9.889 -6.065 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.485 -11.353 -6.614 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.841 -9.647 -6.976 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.512 -10.405 -5.512 1.00 1.00 H new ATOM 301 N LEU A 19 9.314 -10.530 -3.312 1.00 1.00 N ATOM 302 CA LEU A 19 8.946 -11.388 -2.195 1.00 1.00 C ATOM 303 C LEU A 19 7.601 -12.067 -2.440 1.00 1.00 C ATOM 304 O LEU A 19 7.047 -12.006 -3.540 1.00 1.00 O ATOM 305 CB LEU A 19 8.914 -10.528 -0.921 1.00 1.00 C ATOM 306 CG LEU A 19 10.204 -10.727 -0.094 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.453 -10.293 -0.905 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.082 -9.904 1.198 1.00 1.00 C ATOM 0 H LEU A 19 8.923 -9.589 -3.265 1.00 1.00 H new ATOM 0 HA LEU A 19 9.681 -12.185 -2.083 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.806 -9.477 -1.189 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.045 -10.794 -0.319 1.00 1.00 H new ATOM 0 HG LEU A 19 10.326 -11.783 0.149 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.348 -10.442 -0.302 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.523 -10.892 -1.813 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.366 -9.239 -1.171 1.00 1.00 H new ATOM 0 HD21 LEU A 19 10.984 -10.031 1.797 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.958 -8.850 0.948 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.218 -10.246 1.767 1.00 1.00 H new ATOM 320 N GLY A 20 7.086 -12.718 -1.398 1.00 1.00 N ATOM 321 CA GLY A 20 5.807 -13.421 -1.486 1.00 1.00 C ATOM 322 C GLY A 20 6.018 -14.863 -1.926 1.00 1.00 C ATOM 323 O GLY A 20 5.076 -15.649 -1.966 1.00 1.00 O ATOM 0 H GLY A 20 7.534 -12.773 -0.484 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.307 -13.400 -0.518 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.153 -12.911 -2.194 1.00 1.00 H new ATOM 327 N ALA A 21 7.264 -15.210 -2.252 1.00 1.00 N ATOM 328 CA ALA A 21 7.584 -16.570 -2.682 1.00 1.00 C ATOM 329 C ALA A 21 8.002 -17.423 -1.490 1.00 1.00 C ATOM 330 O ALA A 21 7.226 -18.243 -0.999 1.00 1.00 O ATOM 331 CB ALA A 21 8.716 -16.541 -3.710 1.00 1.00 C ATOM 0 H ALA A 21 8.061 -14.574 -2.227 1.00 1.00 H new ATOM 0 HA ALA A 21 6.693 -17.006 -3.134 1.00 1.00 H new ATOM 0 HB1 ALA A 21 8.948 -17.558 -4.025 1.00 1.00 H new ATOM 0 HB2 ALA A 21 8.407 -15.955 -4.575 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.602 -16.089 -3.263 1.00 1.00 H new ATOM 337 N ASP A 22 9.236 -17.224 -1.028 1.00 1.00 N ATOM 338 CA ASP A 22 9.759 -17.976 0.113 1.00 1.00 C ATOM 339 C ASP A 22 9.574 -17.196 1.409 1.00 1.00 C ATOM 340 O ASP A 22 10.084 -17.589 2.458 1.00 1.00 O ATOM 341 CB ASP A 22 11.245 -18.274 -0.092 1.00 1.00 C ATOM 342 CG ASP A 22 11.422 -19.260 -1.240 1.00 1.00 C ATOM 343 OD1 ASP A 22 10.448 -19.897 -1.603 1.00 1.00 O ATOM 344 OD2 ASP A 22 12.529 -19.363 -1.741 1.00 1.00 O ATOM 0 H ASP A 22 9.891 -16.550 -1.425 1.00 1.00 H new ATOM 0 HA ASP A 22 9.204 -18.912 0.184 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.784 -17.351 -0.307 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.672 -18.686 0.822 1.00 1.00 H new ATOM 349 N VAL A 23 8.845 -16.082 1.328 1.00 1.00 N ATOM 350 CA VAL A 23 8.596 -15.238 2.499 1.00 1.00 C ATOM 351 C VAL A 23 7.103 -15.183 2.803 1.00 1.00 C ATOM 352 O VAL A 23 6.278 -14.989 1.909 1.00 1.00 O ATOM 353 CB VAL A 23 9.120 -13.820 2.242 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.659 -12.880 3.362 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.650 -13.851 2.187 1.00 1.00 C ATOM 0 H VAL A 23 8.417 -15.743 0.466 1.00 1.00 H new ATOM 0 HA VAL A 23 9.117 -15.667 3.355 1.00 1.00 H new ATOM 0 HB VAL A 23 8.727 -13.455 1.293 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.036 -11.875 3.172 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.570 -12.859 3.394 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.044 -13.237 4.318 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.028 -12.845 2.004 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.041 -14.219 3.136 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.972 -14.511 1.382 1.00 1.00 H new ATOM 365 N VAL A 24 6.768 -15.349 4.077 1.00 1.00 N ATOM 366 CA VAL A 24 5.374 -15.315 4.501 1.00 1.00 C ATOM 367 C VAL A 24 4.837 -13.895 4.415 1.00 1.00 C ATOM 368 O VAL A 24 5.468 -12.953 4.896 1.00 1.00 O ATOM 369 CB VAL A 24 5.253 -15.818 5.941 1.00 1.00 C ATOM 370 CG1 VAL A 24 3.802 -15.692 6.408 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.683 -17.285 6.003 1.00 1.00 C ATOM 0 H VAL A 24 7.438 -15.507 4.830 1.00 1.00 H new ATOM 0 HA VAL A 24 4.793 -15.960 3.843 1.00 1.00 H new ATOM 0 HB VAL A 24 5.894 -15.221 6.590 1.00 1.00 H new ATOM 0 HG11 VAL A 24 3.717 -16.051 7.434 1.00 1.00 H new ATOM 0 HG12 VAL A 24 3.495 -14.647 6.362 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.158 -16.288 5.761 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.598 -17.646 7.028 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.041 -17.880 5.354 1.00 1.00 H new ATOM 0 HG23 VAL A 24 6.717 -17.375 5.671 1.00 1.00 H new ATOM 381 N VAL A 25 3.672 -13.744 3.796 1.00 1.00 N ATOM 382 CA VAL A 25 3.056 -12.430 3.646 1.00 1.00 C ATOM 383 C VAL A 25 2.127 -12.142 4.822 1.00 1.00 C ATOM 384 O VAL A 25 1.310 -12.981 5.200 1.00 1.00 O ATOM 385 CB VAL A 25 2.261 -12.371 2.337 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.811 -10.928 2.074 1.00 1.00 C ATOM 387 CG2 VAL A 25 3.116 -12.907 1.170 1.00 1.00 C ATOM 0 H VAL A 25 3.136 -14.512 3.391 1.00 1.00 H new ATOM 0 HA VAL A 25 3.844 -11.677 3.624 1.00 1.00 H new ATOM 0 HB VAL A 25 1.375 -13.001 2.421 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.246 -10.887 1.143 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.181 -10.588 2.896 1.00 1.00 H new ATOM 0 HG13 VAL A 25 2.686 -10.283 1.996 1.00 1.00 H new ATOM 0 HG21 VAL A 25 2.540 -12.860 0.246 1.00 1.00 H new ATOM 0 HG22 VAL A 25 4.015 -12.299 1.069 1.00 1.00 H new ATOM 0 HG23 VAL A 25 3.397 -13.941 1.370 1.00 1.00 H new ATOM 397 N THR A 26 2.264 -10.948 5.399 1.00 1.00 N ATOM 398 CA THR A 26 1.441 -10.541 6.537 1.00 1.00 C ATOM 399 C THR A 26 0.926 -9.122 6.346 1.00 1.00 C ATOM 400 O THR A 26 1.487 -8.344 5.574 1.00 1.00 O ATOM 401 CB THR A 26 2.264 -10.615 7.820 1.00 1.00 C ATOM 402 OG1 THR A 26 3.386 -9.749 7.714 1.00 1.00 O ATOM 403 CG2 THR A 26 2.737 -12.051 8.030 1.00 1.00 C ATOM 0 H THR A 26 2.938 -10.245 5.096 1.00 1.00 H new ATOM 0 HA THR A 26 0.589 -11.217 6.607 1.00 1.00 H new ATOM 0 HB THR A 26 1.653 -10.306 8.668 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.914 -9.795 8.538 1.00 1.00 H new ATOM 0 HG21 THR A 26 3.326 -12.110 8.945 1.00 1.00 H new ATOM 0 HG22 THR A 26 1.873 -12.710 8.111 1.00 1.00 H new ATOM 0 HG23 THR A 26 3.351 -12.359 7.184 1.00 1.00 H new ATOM 411 N ALA A 27 -0.146 -8.794 7.060 1.00 1.00 N ATOM 412 CA ALA A 27 -0.745 -7.465 6.979 1.00 1.00 C ATOM 413 C ALA A 27 -0.168 -6.547 8.049 1.00 1.00 C ATOM 414 O ALA A 27 -0.309 -5.327 7.981 1.00 1.00 O ATOM 415 CB ALA A 27 -2.264 -7.573 7.165 1.00 1.00 C ATOM 0 H ALA A 27 -0.619 -9.430 7.702 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.521 -7.044 5.999 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.710 -6.580 7.104 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.682 -8.207 6.383 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.481 -8.009 8.140 1.00 1.00 H new ATOM 421 N ASP A 28 0.469 -7.139 9.047 1.00 1.00 N ATOM 422 CA ASP A 28 1.047 -6.355 10.127 1.00 1.00 C ATOM 423 C ASP A 28 2.467 -5.931 9.773 1.00 1.00 C ATOM 424 O ASP A 28 3.122 -5.225 10.539 1.00 1.00 O ATOM 425 CB ASP A 28 1.063 -7.177 11.417 1.00 1.00 C ATOM 426 CG ASP A 28 -0.363 -7.456 11.878 1.00 1.00 C ATOM 427 OD1 ASP A 28 -1.261 -6.781 11.403 1.00 1.00 O ATOM 428 OD2 ASP A 28 -0.537 -8.343 12.698 1.00 1.00 O ATOM 0 H ASP A 28 0.598 -8.147 9.132 1.00 1.00 H new ATOM 0 HA ASP A 28 0.438 -5.463 10.274 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.591 -8.116 11.252 1.00 1.00 H new ATOM 0 HB3 ASP A 28 1.606 -6.639 12.194 1.00 1.00 H new ATOM 433 N SER A 29 2.939 -6.368 8.609 1.00 1.00 N ATOM 434 CA SER A 29 4.284 -6.024 8.172 1.00 1.00 C ATOM 435 C SER A 29 4.368 -4.547 7.814 1.00 1.00 C ATOM 436 O SER A 29 4.087 -4.154 6.682 1.00 1.00 O ATOM 437 CB SER A 29 4.670 -6.871 6.958 1.00 1.00 C ATOM 438 OG SER A 29 5.790 -6.281 6.312 1.00 1.00 O ATOM 0 H SER A 29 2.415 -6.954 7.959 1.00 1.00 H new ATOM 0 HA SER A 29 4.976 -6.226 8.990 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.909 -7.887 7.270 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.831 -6.940 6.266 1.00 1.00 H new ATOM 0 HG SER A 29 6.041 -6.822 5.534 1.00 1.00 H new ATOM 444 N GLU A 30 4.752 -3.732 8.790 1.00 1.00 N ATOM 445 CA GLU A 30 4.866 -2.297 8.573 1.00 1.00 C ATOM 446 C GLU A 30 5.609 -2.013 7.271 1.00 1.00 C ATOM 447 O GLU A 30 6.834 -2.113 7.212 1.00 1.00 O ATOM 448 CB GLU A 30 5.618 -1.650 9.734 1.00 1.00 C ATOM 449 CG GLU A 30 4.806 -1.797 11.020 1.00 1.00 C ATOM 450 CD GLU A 30 5.607 -1.273 12.204 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.709 -0.796 11.984 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.111 -1.356 13.314 1.00 1.00 O ATOM 0 H GLU A 30 4.988 -4.039 9.734 1.00 1.00 H new ATOM 0 HA GLU A 30 3.862 -1.878 8.511 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.595 -2.119 9.854 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.795 -0.595 9.523 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.869 -1.248 10.933 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.548 -2.844 11.179 1.00 1.00 H new ATOM 459 N PHE A 31 4.860 -1.657 6.228 1.00 1.00 N ATOM 460 CA PHE A 31 5.452 -1.356 4.921 1.00 1.00 C ATOM 461 C PHE A 31 5.627 0.156 4.748 1.00 1.00 C ATOM 462 O PHE A 31 6.084 0.618 3.707 1.00 1.00 O ATOM 463 CB PHE A 31 4.548 -1.921 3.805 1.00 1.00 C ATOM 464 CG PHE A 31 3.485 -0.905 3.416 1.00 1.00 C ATOM 465 CD1 PHE A 31 2.503 -0.529 4.340 1.00 1.00 C ATOM 466 CD2 PHE A 31 3.497 -0.331 2.138 1.00 1.00 C ATOM 467 CE1 PHE A 31 1.538 0.412 3.985 1.00 1.00 C ATOM 468 CE2 PHE A 31 2.530 0.612 1.789 1.00 1.00 C ATOM 469 CZ PHE A 31 1.549 0.981 2.711 1.00 1.00 C ATOM 0 H PHE A 31 3.844 -1.570 6.260 1.00 1.00 H new ATOM 0 HA PHE A 31 6.435 -1.823 4.859 1.00 1.00 H new ATOM 0 HB2 PHE A 31 5.152 -2.176 2.934 1.00 1.00 H new ATOM 0 HB3 PHE A 31 4.073 -2.841 4.145 1.00 1.00 H new ATOM 0 HD1 PHE A 31 2.493 -0.968 5.327 1.00 1.00 H new ATOM 0 HD2 PHE A 31 4.254 -0.618 1.424 1.00 1.00 H new ATOM 0 HE1 PHE A 31 0.780 0.701 4.698 1.00 1.00 H new ATOM 0 HE2 PHE A 31 2.540 1.057 0.805 1.00 1.00 H new ATOM 0 HZ PHE A 31 0.798 1.707 2.438 1.00 1.00 H new ATOM 479 N SER A 32 5.234 0.921 5.764 1.00 1.00 N ATOM 480 CA SER A 32 5.332 2.379 5.699 1.00 1.00 C ATOM 481 C SER A 32 6.567 2.859 6.441 1.00 1.00 C ATOM 482 O SER A 32 6.574 2.944 7.668 1.00 1.00 O ATOM 483 CB SER A 32 4.087 3.006 6.317 1.00 1.00 C ATOM 484 OG SER A 32 4.037 2.680 7.699 1.00 1.00 O ATOM 0 H SER A 32 4.847 0.560 6.636 1.00 1.00 H new ATOM 0 HA SER A 32 5.410 2.679 4.654 1.00 1.00 H new ATOM 0 HB2 SER A 32 4.107 4.088 6.187 1.00 1.00 H new ATOM 0 HB3 SER A 32 3.193 2.641 5.812 1.00 1.00 H new ATOM 0 HG SER A 32 4.896 2.899 8.118 1.00 1.00 H new ATOM 490 N LYS A 33 7.613 3.167 5.685 1.00 1.00 N ATOM 491 CA LYS A 33 8.867 3.638 6.266 1.00 1.00 C ATOM 492 C LYS A 33 9.537 4.635 5.340 1.00 1.00 C ATOM 493 O LYS A 33 8.966 5.039 4.327 1.00 1.00 O ATOM 494 CB LYS A 33 9.803 2.455 6.515 1.00 1.00 C ATOM 495 CG LYS A 33 9.307 1.650 7.717 1.00 1.00 C ATOM 496 CD LYS A 33 10.244 0.468 7.957 1.00 1.00 C ATOM 497 CE LYS A 33 9.818 -0.265 9.229 1.00 1.00 C ATOM 498 NZ LYS A 33 8.453 -0.830 9.041 1.00 1.00 N ATOM 0 H LYS A 33 7.619 3.100 4.667 1.00 1.00 H new ATOM 0 HA LYS A 33 8.648 4.130 7.214 1.00 1.00 H new ATOM 0 HB2 LYS A 33 9.844 1.819 5.631 1.00 1.00 H new ATOM 0 HB3 LYS A 33 10.816 2.813 6.698 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.269 2.284 8.603 1.00 1.00 H new ATOM 0 HG3 LYS A 33 8.293 1.294 7.537 1.00 1.00 H new ATOM 0 HD2 LYS A 33 10.216 -0.212 7.105 1.00 1.00 H new ATOM 0 HD3 LYS A 33 11.272 0.818 8.052 1.00 1.00 H new ATOM 0 HE2 LYS A 33 10.525 -1.062 9.457 1.00 1.00 H new ATOM 0 HE3 LYS A 33 9.826 0.420 10.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.300 -1.602 9.721 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 7.744 -0.085 9.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 8.360 -1.198 8.073 1.00 1.00 H new ATOM 512 N LEU A 34 10.756 5.038 5.693 1.00 1.00 N ATOM 513 CA LEU A 34 11.498 6.003 4.883 1.00 1.00 C ATOM 514 C LEU A 34 12.543 5.281 4.039 1.00 1.00 C ATOM 515 O LEU A 34 13.479 4.684 4.566 1.00 1.00 O ATOM 516 CB LEU A 34 12.182 7.028 5.804 1.00 1.00 C ATOM 517 CG LEU A 34 12.542 8.301 5.014 1.00 1.00 C ATOM 518 CD1 LEU A 34 13.001 9.392 5.985 1.00 1.00 C ATOM 519 CD2 LEU A 34 13.657 8.009 3.997 1.00 1.00 C ATOM 0 H LEU A 34 11.248 4.715 6.526 1.00 1.00 H new ATOM 0 HA LEU A 34 10.807 6.521 4.218 1.00 1.00 H new ATOM 0 HB2 LEU A 34 11.520 7.281 6.632 1.00 1.00 H new ATOM 0 HB3 LEU A 34 13.083 6.594 6.237 1.00 1.00 H new ATOM 0 HG LEU A 34 11.659 8.640 4.472 1.00 1.00 H new ATOM 0 HD11 LEU A 34 13.256 10.293 5.426 1.00 1.00 H new ATOM 0 HD12 LEU A 34 12.198 9.616 6.687 1.00 1.00 H new ATOM 0 HD13 LEU A 34 13.877 9.046 6.534 1.00 1.00 H new ATOM 0 HD21 LEU A 34 13.897 8.920 3.449 1.00 1.00 H new ATOM 0 HD22 LEU A 34 14.545 7.656 4.522 1.00 1.00 H new ATOM 0 HD23 LEU A 34 13.321 7.243 3.298 1.00 1.00 H new ATOM 531 N GLY A 35 12.375 5.346 2.722 1.00 1.00 N ATOM 532 CA GLY A 35 13.306 4.695 1.805 1.00 1.00 C ATOM 533 C GLY A 35 14.594 5.499 1.663 1.00 1.00 C ATOM 534 O GLY A 35 15.090 6.072 2.627 1.00 1.00 O ATOM 0 H GLY A 35 11.607 5.840 2.267 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.538 3.694 2.168 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.837 4.579 0.828 1.00 1.00 H new ATOM 538 N ALA A 36 15.139 5.530 0.454 1.00 1.00 N ATOM 539 CA ALA A 36 16.372 6.266 0.213 1.00 1.00 C ATOM 540 C ALA A 36 16.176 7.755 0.493 1.00 1.00 C ATOM 541 O ALA A 36 17.000 8.386 1.155 1.00 1.00 O ATOM 542 CB ALA A 36 16.818 6.071 -1.235 1.00 1.00 C ATOM 0 H ALA A 36 14.753 5.061 -0.365 1.00 1.00 H new ATOM 0 HA ALA A 36 17.139 5.882 0.886 1.00 1.00 H new ATOM 0 HB1 ALA A 36 17.741 6.624 -1.409 1.00 1.00 H new ATOM 0 HB2 ALA A 36 16.989 5.011 -1.423 1.00 1.00 H new ATOM 0 HB3 ALA A 36 16.043 6.438 -1.907 1.00 1.00 H new ATOM 548 N ASP A 37 15.077 8.307 -0.019 1.00 1.00 N ATOM 549 CA ASP A 37 14.768 9.727 0.174 1.00 1.00 C ATOM 550 C ASP A 37 13.270 9.924 0.390 1.00 1.00 C ATOM 551 O ASP A 37 12.739 11.013 0.166 1.00 1.00 O ATOM 552 CB ASP A 37 15.224 10.528 -1.050 1.00 1.00 C ATOM 553 CG ASP A 37 16.746 10.649 -1.064 1.00 1.00 C ATOM 554 OD1 ASP A 37 17.351 10.414 -0.032 1.00 1.00 O ATOM 555 OD2 ASP A 37 17.283 10.976 -2.109 1.00 1.00 O ATOM 0 H ASP A 37 14.386 7.796 -0.569 1.00 1.00 H new ATOM 0 HA ASP A 37 15.298 10.082 1.058 1.00 1.00 H new ATOM 0 HB2 ASP A 37 14.882 10.038 -1.962 1.00 1.00 H new ATOM 0 HB3 ASP A 37 14.773 11.520 -1.033 1.00 1.00 H new ATOM 560 N SER A 38 12.596 8.867 0.826 1.00 1.00 N ATOM 561 CA SER A 38 11.161 8.938 1.071 1.00 1.00 C ATOM 562 C SER A 38 10.405 9.156 -0.238 1.00 1.00 C ATOM 563 O SER A 38 9.216 9.479 -0.231 1.00 1.00 O ATOM 564 CB SER A 38 10.857 10.083 2.044 1.00 1.00 C ATOM 0 H SER A 38 13.016 7.957 1.016 1.00 1.00 H new ATOM 0 HA SER A 38 10.834 7.995 1.509 1.00 1.00 H new ATOM 569 N LEU A 39 11.101 8.981 -1.356 1.00 1.00 N ATOM 570 CA LEU A 39 10.491 9.169 -2.670 1.00 1.00 C ATOM 571 C LEU A 39 9.843 7.874 -3.144 1.00 1.00 C ATOM 572 O LEU A 39 9.203 7.834 -4.195 1.00 1.00 O ATOM 573 CB LEU A 39 11.558 9.608 -3.675 1.00 1.00 C ATOM 574 CG LEU A 39 12.228 10.902 -3.190 1.00 1.00 C ATOM 575 CD1 LEU A 39 13.351 11.284 -4.161 1.00 1.00 C ATOM 576 CD2 LEU A 39 11.196 12.045 -3.111 1.00 1.00 C ATOM 0 H LEU A 39 12.084 8.710 -1.381 1.00 1.00 H new ATOM 0 HA LEU A 39 9.723 9.939 -2.594 1.00 1.00 H new ATOM 0 HB2 LEU A 39 12.305 8.823 -3.793 1.00 1.00 H new ATOM 0 HB3 LEU A 39 11.105 9.767 -4.654 1.00 1.00 H new ATOM 0 HG LEU A 39 12.641 10.738 -2.195 1.00 1.00 H new ATOM 0 HD11 LEU A 39 13.830 12.202 -3.821 1.00 1.00 H new ATOM 0 HD12 LEU A 39 14.089 10.482 -4.198 1.00 1.00 H new ATOM 0 HD13 LEU A 39 12.934 11.439 -5.156 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.687 12.955 -2.766 1.00 1.00 H new ATOM 0 HD22 LEU A 39 10.767 12.216 -4.098 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.404 11.773 -2.413 1.00 1.00 H new ATOM 588 N ASP A 40 10.009 6.815 -2.359 1.00 1.00 N ATOM 589 CA ASP A 40 9.432 5.525 -2.706 1.00 1.00 C ATOM 590 C ASP A 40 7.913 5.612 -2.726 1.00 1.00 C ATOM 591 O ASP A 40 7.255 4.981 -3.555 1.00 1.00 O ATOM 592 CB ASP A 40 9.868 4.466 -1.693 1.00 1.00 C ATOM 593 CG ASP A 40 9.501 3.077 -2.203 1.00 1.00 C ATOM 594 OD1 ASP A 40 9.172 2.966 -3.372 1.00 1.00 O ATOM 595 OD2 ASP A 40 9.556 2.145 -1.418 1.00 1.00 O ATOM 0 H ASP A 40 10.535 6.825 -1.485 1.00 1.00 H new ATOM 0 HA ASP A 40 9.786 5.244 -3.698 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.943 4.530 -1.528 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.386 4.649 -0.732 1.00 1.00 H new ATOM 600 N THR A 41 7.360 6.394 -1.807 1.00 1.00 N ATOM 601 CA THR A 41 5.912 6.551 -1.726 1.00 1.00 C ATOM 602 C THR A 41 5.337 6.863 -3.097 1.00 1.00 C ATOM 603 O THR A 41 4.208 6.488 -3.394 1.00 1.00 O ATOM 604 CB THR A 41 5.549 7.679 -0.755 1.00 1.00 C ATOM 605 OG1 THR A 41 6.248 7.479 0.465 1.00 1.00 O ATOM 606 CG2 THR A 41 4.027 7.698 -0.476 1.00 1.00 C ATOM 0 H THR A 41 7.886 6.925 -1.113 1.00 1.00 H new ATOM 0 HA THR A 41 5.489 5.615 -1.362 1.00 1.00 H new ATOM 0 HB THR A 41 5.830 8.633 -1.202 1.00 1.00 H new ATOM 0 HG1 THR A 41 6.023 8.197 1.092 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.794 8.507 0.216 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.488 7.853 -1.410 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.726 6.747 -0.037 1.00 1.00 H new ATOM 614 N VAL A 42 6.118 7.558 -3.925 1.00 1.00 N ATOM 615 CA VAL A 42 5.674 7.918 -5.270 1.00 1.00 C ATOM 616 C VAL A 42 5.464 6.667 -6.121 1.00 1.00 C ATOM 617 O VAL A 42 4.493 6.563 -6.869 1.00 1.00 O ATOM 618 CB VAL A 42 6.712 8.822 -5.942 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.305 9.083 -7.395 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.791 10.150 -5.184 1.00 1.00 C ATOM 0 H VAL A 42 7.056 7.881 -3.689 1.00 1.00 H new ATOM 0 HA VAL A 42 4.727 8.451 -5.185 1.00 1.00 H new ATOM 0 HB VAL A 42 7.686 8.333 -5.926 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.045 9.726 -7.870 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.248 8.136 -7.933 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.331 9.572 -7.418 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.529 10.797 -5.659 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.816 10.638 -5.202 1.00 1.00 H new ATOM 0 HG23 VAL A 42 7.084 9.962 -4.151 1.00 1.00 H new ATOM 630 N GLU A 43 6.386 5.723 -6.020 1.00 1.00 N ATOM 631 CA GLU A 43 6.278 4.491 -6.789 1.00 1.00 C ATOM 632 C GLU A 43 5.204 3.571 -6.203 1.00 1.00 C ATOM 633 O GLU A 43 4.398 2.995 -6.934 1.00 1.00 O ATOM 634 CB GLU A 43 7.618 3.768 -6.802 1.00 1.00 C ATOM 635 CG GLU A 43 8.625 4.600 -7.593 1.00 1.00 C ATOM 636 CD GLU A 43 9.994 3.935 -7.550 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.104 2.894 -6.925 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.912 4.476 -8.143 1.00 1.00 O ATOM 0 H GLU A 43 7.209 5.783 -5.421 1.00 1.00 H new ATOM 0 HA GLU A 43 5.993 4.751 -7.808 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.973 3.616 -5.783 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.509 2.781 -7.252 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.293 4.703 -8.626 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.686 5.605 -7.176 1.00 1.00 H new ATOM 645 N ILE A 44 5.218 3.421 -4.877 1.00 1.00 N ATOM 646 CA ILE A 44 4.263 2.545 -4.192 1.00 1.00 C ATOM 647 C ILE A 44 2.825 3.024 -4.360 1.00 1.00 C ATOM 648 O ILE A 44 1.932 2.235 -4.671 1.00 1.00 O ATOM 649 CB ILE A 44 4.590 2.488 -2.702 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.047 2.050 -2.503 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.653 1.506 -2.002 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.315 0.675 -3.141 1.00 1.00 C ATOM 0 H ILE A 44 5.877 3.892 -4.257 1.00 1.00 H new ATOM 0 HA ILE A 44 4.350 1.556 -4.643 1.00 1.00 H new ATOM 0 HB ILE A 44 4.454 3.480 -2.270 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.714 2.792 -2.942 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.273 2.008 -1.438 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.892 1.470 -0.939 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.621 1.833 -2.131 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.776 0.513 -2.435 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.357 0.396 -2.981 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.665 -0.071 -2.684 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.113 0.725 -4.211 1.00 1.00 H new ATOM 664 N VAL A 45 2.595 4.313 -4.144 1.00 1.00 N ATOM 665 CA VAL A 45 1.250 4.863 -4.264 1.00 1.00 C ATOM 666 C VAL A 45 0.701 4.627 -5.660 1.00 1.00 C ATOM 667 O VAL A 45 -0.458 4.247 -5.828 1.00 1.00 O ATOM 668 CB VAL A 45 1.283 6.368 -3.983 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.135 7.077 -5.040 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.138 6.921 -4.030 1.00 1.00 C ATOM 0 H VAL A 45 3.313 4.991 -3.888 1.00 1.00 H new ATOM 0 HA VAL A 45 0.605 4.365 -3.540 1.00 1.00 H new ATOM 0 HB VAL A 45 1.715 6.540 -2.997 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.154 8.147 -4.834 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.151 6.684 -5.012 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.707 6.905 -6.028 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.118 7.992 -3.830 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.565 6.744 -5.017 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.747 6.423 -3.276 1.00 1.00 H new ATOM 680 N MET A 46 1.533 4.851 -6.665 1.00 1.00 N ATOM 681 CA MET A 46 1.102 4.661 -8.039 1.00 1.00 C ATOM 682 C MET A 46 0.754 3.198 -8.293 1.00 1.00 C ATOM 683 O MET A 46 -0.216 2.893 -8.986 1.00 1.00 O ATOM 684 CB MET A 46 2.206 5.115 -9.004 1.00 1.00 C ATOM 685 CG MET A 46 2.288 6.656 -9.079 1.00 1.00 C ATOM 686 SD MET A 46 0.703 7.400 -9.569 1.00 1.00 S ATOM 687 CE MET A 46 0.473 6.475 -11.099 1.00 1.00 C ATOM 0 H MET A 46 2.499 5.161 -6.557 1.00 1.00 H new ATOM 0 HA MET A 46 0.210 5.264 -8.210 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.165 4.713 -8.677 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.013 4.710 -9.997 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.589 7.051 -8.109 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.060 6.944 -9.793 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.120 7.067 -11.797 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.445 6.257 -11.542 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.046 5.540 -10.885 1.00 1.00 H new ATOM 697 N ASN A 47 1.539 2.293 -7.731 1.00 1.00 N ATOM 698 CA ASN A 47 1.279 0.882 -7.915 1.00 1.00 C ATOM 699 C ASN A 47 -0.093 0.520 -7.340 1.00 1.00 C ATOM 700 O ASN A 47 -0.878 -0.180 -7.978 1.00 1.00 O ATOM 701 CB ASN A 47 2.381 0.079 -7.211 1.00 1.00 C ATOM 702 CG ASN A 47 3.634 0.022 -8.078 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.542 0.839 -7.921 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.739 -0.905 -8.986 1.00 1.00 N ATOM 0 H ASN A 47 2.350 2.510 -7.152 1.00 1.00 H new ATOM 0 HA ASN A 47 1.277 0.643 -8.979 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.616 0.537 -6.250 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.028 -0.931 -7.004 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.574 -0.956 -9.569 1.00 1.00 H new ATOM 0 HD22 ASN A 47 2.986 -1.581 -9.114 1.00 1.00 H new ATOM 711 N LEU A 48 -0.375 1.015 -6.141 1.00 1.00 N ATOM 712 CA LEU A 48 -1.657 0.749 -5.498 1.00 1.00 C ATOM 713 C LEU A 48 -2.774 1.470 -6.235 1.00 1.00 C ATOM 714 O LEU A 48 -3.848 0.911 -6.460 1.00 1.00 O ATOM 715 CB LEU A 48 -1.608 1.225 -4.045 1.00 1.00 C ATOM 716 CG LEU A 48 -0.514 0.448 -3.294 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.268 1.088 -1.926 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.931 -1.013 -3.084 1.00 1.00 C ATOM 0 H LEU A 48 0.261 1.598 -5.597 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.852 -0.323 -5.525 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.402 2.295 -4.007 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.575 1.070 -3.566 1.00 1.00 H new ATOM 0 HG LEU A 48 0.396 0.480 -3.894 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.508 0.533 -1.399 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.052 2.121 -2.060 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.189 1.066 -1.343 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.142 -1.544 -2.551 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.851 -1.049 -2.500 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.097 -1.487 -4.052 1.00 1.00 H new ATOM 730 N GLU A 49 -2.509 2.718 -6.608 1.00 1.00 N ATOM 731 CA GLU A 49 -3.496 3.513 -7.318 1.00 1.00 C ATOM 732 C GLU A 49 -3.722 2.940 -8.711 1.00 1.00 C ATOM 733 O GLU A 49 -4.859 2.845 -9.177 1.00 1.00 O ATOM 734 CB GLU A 49 -3.034 4.967 -7.424 1.00 1.00 C ATOM 735 CG GLU A 49 -4.167 5.825 -8.000 1.00 1.00 C ATOM 736 CD GLU A 49 -3.701 7.268 -8.152 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.694 7.610 -7.555 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.358 8.011 -8.862 1.00 1.00 O ATOM 0 H GLU A 49 -1.625 3.195 -6.431 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.433 3.482 -6.761 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.745 5.340 -6.441 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.153 5.034 -8.062 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.478 5.430 -8.967 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.037 5.782 -7.344 1.00 1.00 H new ATOM 745 N GLU A 50 -2.631 2.561 -9.372 1.00 1.00 N ATOM 746 CA GLU A 50 -2.719 1.995 -10.712 1.00 1.00 C ATOM 747 C GLU A 50 -3.400 0.629 -10.677 1.00 1.00 C ATOM 748 O GLU A 50 -4.222 0.318 -11.539 1.00 1.00 O ATOM 749 CB GLU A 50 -1.319 1.854 -11.312 1.00 1.00 C ATOM 750 CG GLU A 50 -1.425 1.352 -12.755 1.00 1.00 C ATOM 751 CD GLU A 50 -0.040 1.282 -13.387 1.00 1.00 C ATOM 752 OE1 GLU A 50 0.930 1.389 -12.656 1.00 1.00 O ATOM 753 OE2 GLU A 50 0.030 1.124 -14.596 1.00 1.00 O ATOM 0 H GLU A 50 -1.683 2.635 -9.003 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.314 2.667 -11.330 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.804 2.814 -11.288 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.726 1.159 -10.717 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -1.892 0.367 -12.772 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -2.065 2.018 -13.334 1.00 1.00 H new ATOM 760 N GLU A 51 -3.047 -0.188 -9.687 1.00 1.00 N ATOM 761 CA GLU A 51 -3.632 -1.520 -9.572 1.00 1.00 C ATOM 762 C GLU A 51 -5.140 -1.424 -9.364 1.00 1.00 C ATOM 763 O GLU A 51 -5.914 -2.064 -10.076 1.00 1.00 O ATOM 764 CB GLU A 51 -2.996 -2.260 -8.392 1.00 1.00 C ATOM 765 CG GLU A 51 -3.466 -3.717 -8.377 1.00 1.00 C ATOM 766 CD GLU A 51 -2.864 -4.467 -9.560 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.995 -3.906 -10.210 1.00 1.00 O ATOM 768 OE2 GLU A 51 -3.283 -5.586 -9.803 1.00 1.00 O ATOM 0 H GLU A 51 -2.368 0.045 -8.962 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.440 -2.068 -10.494 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.909 -2.220 -8.469 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.267 -1.771 -7.456 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -3.169 -4.195 -7.443 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.554 -3.758 -8.425 1.00 1.00 H new ATOM 775 N PHE A 52 -5.555 -0.625 -8.384 1.00 1.00 N ATOM 776 CA PHE A 52 -6.978 -0.460 -8.094 1.00 1.00 C ATOM 777 C PHE A 52 -7.573 0.648 -8.959 1.00 1.00 C ATOM 778 O PHE A 52 -8.785 0.863 -8.962 1.00 1.00 O ATOM 779 CB PHE A 52 -7.168 -0.131 -6.613 1.00 1.00 C ATOM 780 CG PHE A 52 -6.967 -1.384 -5.792 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.947 -2.384 -5.795 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.804 -1.545 -5.030 1.00 1.00 C ATOM 783 CE1 PHE A 52 -7.766 -3.541 -5.032 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.623 -2.706 -4.271 1.00 1.00 C ATOM 785 CZ PHE A 52 -6.607 -3.702 -4.273 1.00 1.00 C ATOM 0 H PHE A 52 -4.933 -0.086 -7.782 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.495 -1.392 -8.323 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.458 0.637 -6.305 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.166 0.272 -6.444 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.842 -2.261 -6.387 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -5.048 -0.774 -5.028 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -8.524 -4.311 -5.030 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.725 -2.834 -3.684 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.468 -4.597 -3.685 1.00 1.00 H new ATOM 795 N GLY A 53 -6.714 1.342 -9.701 1.00 1.00 N ATOM 796 CA GLY A 53 -7.171 2.416 -10.573 1.00 1.00 C ATOM 797 C GLY A 53 -7.964 3.454 -9.787 1.00 1.00 C ATOM 798 O GLY A 53 -8.880 4.082 -10.321 1.00 1.00 O ATOM 0 H GLY A 53 -5.707 1.181 -9.715 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.314 2.892 -11.050 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.792 2.005 -11.369 1.00 1.00 H new ATOM 802 N ILE A 54 -7.617 3.629 -8.514 1.00 1.00 N ATOM 803 CA ILE A 54 -8.314 4.594 -7.668 1.00 1.00 C ATOM 804 C ILE A 54 -7.604 5.945 -7.713 1.00 1.00 C ATOM 805 O ILE A 54 -6.886 6.245 -8.666 1.00 1.00 O ATOM 806 CB ILE A 54 -8.380 4.068 -6.230 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.957 3.767 -5.742 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.253 2.796 -6.167 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.959 3.444 -4.254 1.00 1.00 C ATOM 0 H ILE A 54 -6.865 3.121 -8.049 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.330 4.729 -8.040 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.831 4.822 -5.585 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.545 2.927 -6.302 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.312 4.625 -5.933 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.292 2.432 -5.140 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.262 3.030 -6.508 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.822 2.027 -6.808 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.941 3.233 -3.926 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.351 4.295 -3.697 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.587 2.572 -4.072 1.00 1.00 H new ATOM 821 N ASN A 55 -7.809 6.760 -6.678 1.00 1.00 N ATOM 822 CA ASN A 55 -7.189 8.078 -6.604 1.00 1.00 C ATOM 823 C ASN A 55 -6.640 8.321 -5.202 1.00 1.00 C ATOM 824 O ASN A 55 -7.389 8.612 -4.269 1.00 1.00 O ATOM 825 CB ASN A 55 -8.223 9.150 -6.944 1.00 1.00 C ATOM 826 CG ASN A 55 -9.331 9.166 -5.896 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.825 10.232 -5.530 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.749 8.041 -5.381 1.00 1.00 N ATOM 0 H ASN A 55 -8.400 6.528 -5.880 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.368 8.125 -7.319 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.742 10.127 -6.990 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.647 8.957 -7.929 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.485 8.046 -4.675 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.339 7.158 -5.685 1.00 1.00 H new ATOM 835 N VAL A 56 -5.323 8.200 -5.057 1.00 1.00 N ATOM 836 CA VAL A 56 -4.679 8.412 -3.763 1.00 1.00 C ATOM 837 C VAL A 56 -4.045 9.797 -3.717 1.00 1.00 C ATOM 838 O VAL A 56 -3.163 10.112 -4.516 1.00 1.00 O ATOM 839 CB VAL A 56 -3.601 7.348 -3.533 1.00 1.00 C ATOM 840 CG1 VAL A 56 -2.906 7.607 -2.187 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.245 5.955 -3.527 1.00 1.00 C ATOM 0 H VAL A 56 -4.684 7.958 -5.814 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.433 8.335 -2.980 1.00 1.00 H new ATOM 0 HB VAL A 56 -2.864 7.397 -4.334 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.139 6.851 -2.022 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.445 8.595 -2.200 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -3.641 7.560 -1.383 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.476 5.200 -3.363 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -4.984 5.899 -2.728 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.732 5.775 -4.485 1.00 1.00 H new ATOM 851 N ASP A 57 -4.502 10.619 -2.779 1.00 1.00 N ATOM 852 CA ASP A 57 -3.977 11.973 -2.629 1.00 1.00 C ATOM 853 C ASP A 57 -2.696 11.963 -1.797 1.00 1.00 C ATOM 854 O ASP A 57 -2.561 11.174 -0.863 1.00 1.00 O ATOM 855 CB ASP A 57 -5.023 12.866 -1.957 1.00 1.00 C ATOM 856 CG ASP A 57 -6.184 13.118 -2.916 1.00 1.00 C ATOM 857 OD1 ASP A 57 -6.025 12.840 -4.094 1.00 1.00 O ATOM 858 OD2 ASP A 57 -7.215 13.585 -2.458 1.00 1.00 O ATOM 0 H ASP A 57 -5.233 10.373 -2.112 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.747 12.367 -3.619 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.388 12.391 -1.047 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.571 13.813 -1.663 1.00 1.00 H new ATOM 863 N GLU A 58 -1.761 12.843 -2.141 1.00 1.00 N ATOM 864 CA GLU A 58 -0.504 12.925 -1.423 1.00 1.00 C ATOM 865 C GLU A 58 -0.757 13.101 0.070 1.00 1.00 C ATOM 866 O GLU A 58 0.106 12.804 0.895 1.00 1.00 O ATOM 867 CB GLU A 58 0.302 14.113 -1.951 1.00 1.00 C ATOM 868 CG GLU A 58 1.673 14.121 -1.291 1.00 1.00 C ATOM 869 CD GLU A 58 2.528 15.250 -1.859 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.172 15.774 -2.900 1.00 1.00 O ATOM 871 OE2 GLU A 58 3.532 15.571 -1.241 1.00 1.00 O ATOM 0 H GLU A 58 -1.854 13.506 -2.911 1.00 1.00 H new ATOM 0 HA GLU A 58 0.055 12.002 -1.577 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.407 14.044 -3.034 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.222 15.045 -1.740 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.565 14.245 -0.213 1.00 1.00 H new ATOM 0 HG3 GLU A 58 2.168 13.164 -1.454 1.00 1.00 H new ATOM 878 N ASP A 59 -1.946 13.580 0.412 1.00 1.00 N ATOM 879 CA ASP A 59 -2.295 13.786 1.809 1.00 1.00 C ATOM 880 C ASP A 59 -2.663 12.469 2.464 1.00 1.00 C ATOM 881 O ASP A 59 -2.591 12.330 3.684 1.00 1.00 O ATOM 882 CB ASP A 59 -3.475 14.750 1.921 1.00 1.00 C ATOM 883 CG ASP A 59 -3.034 16.153 1.516 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.835 16.377 1.447 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.896 16.982 1.280 1.00 1.00 O ATOM 0 H ASP A 59 -2.678 13.831 -0.253 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.429 14.210 2.317 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.292 14.416 1.281 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.854 14.758 2.943 1.00 1.00 H new ATOM 890 N LYS A 60 -3.063 11.502 1.646 1.00 1.00 N ATOM 891 CA LYS A 60 -3.447 10.191 2.154 1.00 1.00 C ATOM 892 C LYS A 60 -2.266 9.229 2.110 1.00 1.00 C ATOM 893 O LYS A 60 -2.239 8.243 2.838 1.00 1.00 O ATOM 894 CB LYS A 60 -4.626 9.643 1.316 1.00 1.00 C ATOM 895 CG LYS A 60 -5.950 9.708 2.099 1.00 1.00 C ATOM 896 CD LYS A 60 -5.949 8.680 3.240 1.00 1.00 C ATOM 897 CE LYS A 60 -7.380 8.423 3.709 1.00 1.00 C ATOM 898 NZ LYS A 60 -7.342 7.762 5.042 1.00 1.00 N ATOM 0 H LYS A 60 -3.130 11.601 0.633 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.759 10.288 3.194 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -4.718 10.218 0.395 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.422 8.612 1.029 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.091 10.710 2.504 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -6.787 9.515 1.428 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.495 7.749 2.902 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.345 9.046 4.070 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.930 9.362 3.770 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.904 7.792 2.991 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.085 7.036 5.091 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.413 7.316 5.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.501 8.471 5.786 1.00 1.00 H new ATOM 912 N ALA A 61 -1.296 9.517 1.251 1.00 1.00 N ATOM 913 CA ALA A 61 -0.119 8.660 1.121 1.00 1.00 C ATOM 914 C ALA A 61 1.106 9.351 1.699 1.00 1.00 C ATOM 915 O ALA A 61 2.180 9.323 1.108 1.00 1.00 O ATOM 916 CB ALA A 61 0.119 8.336 -0.355 1.00 1.00 C ATOM 0 H ALA A 61 -1.298 10.331 0.637 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.293 7.737 1.673 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.997 7.697 -0.450 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.752 7.819 -0.759 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.281 9.261 -0.909 1.00 1.00 H new ATOM 922 N GLN A 62 0.938 9.977 2.862 1.00 1.00 N ATOM 923 CA GLN A 62 2.042 10.677 3.524 1.00 1.00 C ATOM 924 C GLN A 62 2.354 10.039 4.872 1.00 1.00 C ATOM 925 O GLN A 62 3.508 10.011 5.302 1.00 1.00 O ATOM 926 CB GLN A 62 1.675 12.148 3.727 1.00 1.00 C ATOM 927 CG GLN A 62 0.409 12.245 4.576 1.00 1.00 C ATOM 928 CD GLN A 62 -0.016 13.704 4.707 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.461 14.559 3.961 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.890 14.042 5.616 1.00 1.00 N ATOM 0 H GLN A 62 0.052 10.015 3.366 1.00 1.00 H new ATOM 0 HA GLN A 62 2.926 10.604 2.890 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.495 12.674 4.216 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.517 12.631 2.763 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.392 11.663 4.119 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.589 11.819 5.563 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.284 13.332 6.233 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.179 15.016 5.709 1.00 1.00 H new ATOM 939 N ASP A 63 1.319 9.532 5.542 1.00 1.00 N ATOM 940 CA ASP A 63 1.495 8.899 6.849 1.00 1.00 C ATOM 941 C ASP A 63 0.570 7.694 7.001 1.00 1.00 C ATOM 942 O ASP A 63 -0.239 7.632 7.929 1.00 1.00 O ATOM 943 CB ASP A 63 1.198 9.909 7.958 1.00 1.00 C ATOM 944 CG ASP A 63 1.480 9.283 9.319 1.00 1.00 C ATOM 945 OD1 ASP A 63 1.733 8.089 9.359 1.00 1.00 O ATOM 946 OD2 ASP A 63 1.436 10.003 10.301 1.00 1.00 O ATOM 0 H ASP A 63 0.357 9.547 5.204 1.00 1.00 H new ATOM 0 HA ASP A 63 2.527 8.558 6.926 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.811 10.800 7.824 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.157 10.227 7.903 1.00 1.00 H new ATOM 951 N ILE A 64 0.705 6.733 6.092 1.00 1.00 N ATOM 952 CA ILE A 64 -0.114 5.519 6.133 1.00 1.00 C ATOM 953 C ILE A 64 0.549 4.448 6.984 1.00 1.00 C ATOM 954 O ILE A 64 1.719 4.116 6.794 1.00 1.00 O ATOM 955 CB ILE A 64 -0.343 4.987 4.712 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.166 6.006 3.902 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.072 3.642 4.754 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.559 6.249 4.530 1.00 1.00 C ATOM 0 H ILE A 64 1.370 6.768 5.320 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.075 5.772 6.581 1.00 1.00 H new ATOM 0 HB ILE A 64 0.625 4.842 4.232 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.623 6.949 3.846 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.286 5.646 2.880 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.226 3.280 3.738 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.473 2.921 5.310 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.037 3.766 5.245 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.108 6.974 3.929 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.113 5.311 4.562 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.439 6.634 5.543 1.00 1.00 H new ATOM 970 N SER A 65 -0.221 3.904 7.917 1.00 1.00 N ATOM 971 CA SER A 65 0.271 2.854 8.796 1.00 1.00 C ATOM 972 C SER A 65 0.612 1.624 7.977 1.00 1.00 C ATOM 973 O SER A 65 0.640 1.677 6.754 1.00 1.00 O ATOM 974 CB SER A 65 -0.769 2.524 9.888 1.00 1.00 C ATOM 975 OG SER A 65 -0.226 2.844 11.158 1.00 1.00 O ATOM 0 H SER A 65 -1.190 4.174 8.084 1.00 1.00 H new ATOM 0 HA SER A 65 1.174 3.202 9.297 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.685 3.089 9.718 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.034 1.467 9.848 1.00 1.00 H new ATOM 0 HG SER A 65 -0.883 2.638 11.856 1.00 1.00 H new ATOM 981 N THR A 66 0.883 0.533 8.669 1.00 1.00 N ATOM 982 CA THR A 66 1.228 -0.720 8.019 1.00 1.00 C ATOM 983 C THR A 66 0.224 -1.051 6.920 1.00 1.00 C ATOM 984 O THR A 66 -0.615 -0.229 6.559 1.00 1.00 O ATOM 985 CB THR A 66 1.261 -1.854 9.048 1.00 1.00 C ATOM 986 OG1 THR A 66 1.792 -3.023 8.444 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.150 -2.153 9.559 1.00 1.00 C ATOM 0 H THR A 66 0.871 0.489 9.688 1.00 1.00 H new ATOM 0 HA THR A 66 2.215 -0.613 7.569 1.00 1.00 H new ATOM 0 HB THR A 66 1.886 -1.548 9.887 1.00 1.00 H new ATOM 0 HG1 THR A 66 1.091 -3.705 8.380 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.109 -2.961 10.289 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.564 -1.260 10.028 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.784 -2.451 8.724 1.00 1.00 H new ATOM 995 N ILE A 67 0.319 -2.257 6.386 1.00 1.00 N ATOM 996 CA ILE A 67 -0.580 -2.671 5.318 1.00 1.00 C ATOM 997 C ILE A 67 -2.034 -2.609 5.783 1.00 1.00 C ATOM 998 O ILE A 67 -2.910 -2.160 5.045 1.00 1.00 O ATOM 999 CB ILE A 67 -0.245 -4.101 4.886 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.125 -4.116 4.201 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.305 -4.616 3.907 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.655 -5.556 4.113 1.00 1.00 C ATOM 0 H ILE A 67 1.001 -2.961 6.669 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.451 -1.992 4.475 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.227 -4.744 5.766 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.046 -3.688 3.202 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.826 -3.495 4.759 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.058 -5.634 3.606 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.282 -4.608 4.391 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.331 -3.973 3.027 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.629 -5.556 3.624 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.752 -5.970 5.117 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.960 -6.165 3.535 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.287 -3.078 6.997 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.647 -3.082 7.526 1.00 1.00 C ATOM 1016 C GLN A 68 -4.342 -1.748 7.254 1.00 1.00 C ATOM 1017 O GLN A 68 -5.483 -1.718 6.795 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.611 -3.354 9.035 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.350 -4.845 9.305 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.664 -5.624 9.242 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.582 -5.343 10.012 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -4.817 -6.580 8.369 1.00 1.00 N ATOM 0 H GLN A 68 -1.580 -3.456 7.628 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.212 -3.869 7.026 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.831 -2.752 9.501 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.557 -3.056 9.487 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.648 -5.239 8.570 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.889 -4.971 10.285 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.057 -6.814 7.730 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.697 -7.094 8.325 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.658 -0.647 7.535 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.234 0.666 7.313 1.00 1.00 C ATOM 1033 C GLN A 69 -4.337 0.971 5.824 1.00 1.00 C ATOM 1034 O GLN A 69 -5.325 1.542 5.364 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.346 1.708 7.977 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.006 3.072 7.914 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.267 3.084 8.762 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -5.314 2.467 9.827 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -6.299 3.755 8.345 1.00 1.00 N ATOM 0 H GLN A 69 -2.711 -0.639 7.914 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.237 0.688 7.739 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.162 1.432 9.015 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.377 1.741 7.480 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.314 3.836 8.268 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -4.251 3.318 6.881 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -6.254 4.264 7.462 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -7.154 3.773 8.901 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.302 0.609 5.079 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.282 0.874 3.645 1.00 1.00 C ATOM 1050 C ALA A 70 -4.441 0.176 2.955 1.00 1.00 C ATOM 1051 O ALA A 70 -5.084 0.742 2.072 1.00 1.00 O ATOM 1052 CB ALA A 70 -1.969 0.387 3.041 1.00 1.00 C ATOM 0 H ALA A 70 -2.473 0.136 5.438 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.376 1.950 3.496 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -1.964 0.589 1.970 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.136 0.908 3.513 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.867 -0.685 3.208 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.706 -1.056 3.366 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.795 -1.818 2.778 1.00 1.00 C ATOM 1060 C ALA A 71 -7.125 -1.124 3.034 1.00 1.00 C ATOM 1061 O ALA A 71 -7.981 -1.059 2.153 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.825 -3.219 3.387 1.00 1.00 C ATOM 0 H ALA A 71 -4.187 -1.544 4.096 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.635 -1.888 1.702 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.642 -3.790 2.946 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.880 -3.723 3.186 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.975 -3.144 4.464 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.294 -0.603 4.244 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.529 0.085 4.598 1.00 1.00 C ATOM 1070 C ASP A 72 -8.688 1.364 3.781 1.00 1.00 C ATOM 1071 O ASP A 72 -9.786 1.689 3.331 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.532 0.429 6.088 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.853 1.091 6.471 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.641 1.362 5.579 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -10.057 1.317 7.653 1.00 1.00 O ATOM 0 H ASP A 72 -6.599 -0.643 4.989 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.364 -0.580 4.377 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.385 -0.475 6.678 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -7.702 1.097 6.317 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.588 2.091 3.597 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.636 3.338 2.836 1.00 1.00 C ATOM 1082 C VAL A 73 -8.096 3.075 1.406 1.00 1.00 C ATOM 1083 O VAL A 73 -8.925 3.809 0.865 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.247 3.991 2.822 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.195 5.141 1.807 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -5.933 4.547 4.213 1.00 1.00 C ATOM 0 H VAL A 73 -6.666 1.844 3.958 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.349 4.010 3.313 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.514 3.235 2.540 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.201 5.589 1.815 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.412 4.757 0.810 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -6.935 5.896 2.074 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -4.947 5.011 4.205 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -6.682 5.291 4.485 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -5.946 3.736 4.941 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.544 2.039 0.793 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.892 1.707 -0.584 1.00 1.00 C ATOM 1098 C ILE A 74 -9.378 1.367 -0.670 1.00 1.00 C ATOM 1099 O ILE A 74 -10.065 1.788 -1.598 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.033 0.521 -1.064 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.615 1.018 -1.398 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.659 -0.124 -2.312 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.644 -0.158 -1.359 1.00 1.00 C ATOM 0 H ILE A 74 -6.858 1.417 1.221 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.694 2.563 -1.229 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.985 -0.224 -0.270 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.603 1.481 -2.385 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.308 1.782 -0.684 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.040 -0.960 -2.639 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.659 -0.485 -2.072 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.722 0.615 -3.111 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.639 0.192 -1.595 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.649 -0.601 -0.363 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.949 -0.906 -2.091 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.864 0.601 0.299 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.266 0.215 0.306 1.00 1.00 C ATOM 1117 C GLU A 75 -12.159 1.444 0.197 1.00 1.00 C ATOM 1118 O GLU A 75 -13.105 1.465 -0.590 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.588 -0.555 1.590 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.029 -1.971 1.487 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.268 -2.707 2.794 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.789 -2.094 3.709 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -10.935 -3.872 2.857 1.00 1.00 O ATOM 0 H GLU A 75 -9.315 0.240 1.079 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.455 -0.428 -0.554 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.157 -0.044 2.451 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.666 -0.589 1.746 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.508 -2.503 0.665 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.962 -1.937 1.266 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.848 2.466 0.980 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.625 3.698 0.952 1.00 1.00 C ATOM 1132 C GLY A 76 -12.490 4.397 -0.395 1.00 1.00 C ATOM 1133 O GLY A 76 -13.425 5.040 -0.865 1.00 1.00 O ATOM 0 H GLY A 76 -11.069 2.468 1.638 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.674 3.475 1.147 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.288 4.363 1.747 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.319 4.272 -1.005 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.067 4.907 -2.293 1.00 1.00 C ATOM 1139 C LEU A 77 -11.697 4.095 -3.419 1.00 1.00 C ATOM 1140 O LEU A 77 -11.746 4.532 -4.563 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.554 5.026 -2.517 1.00 1.00 C ATOM 1142 CG LEU A 77 -8.951 6.001 -1.491 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.425 5.870 -1.495 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.325 7.453 -1.842 1.00 1.00 C ATOM 0 H LEU A 77 -10.532 3.740 -0.632 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.514 5.901 -2.292 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.085 4.047 -2.421 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.353 5.378 -3.529 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.348 5.756 -0.506 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -6.999 6.561 -0.768 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.147 4.849 -1.232 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.042 6.106 -2.488 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -8.890 8.129 -1.106 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -8.940 7.699 -2.832 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.410 7.561 -1.837 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.190 2.913 -3.085 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.837 2.053 -4.071 1.00 1.00 C ATOM 1158 C LEU A 78 -14.345 2.248 -4.053 1.00 1.00 C ATOM 1159 O LEU A 78 -15.060 1.729 -4.909 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.495 0.588 -3.779 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.116 0.227 -4.360 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.614 -1.072 -3.724 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.198 0.028 -5.885 1.00 1.00 C ATOM 0 H LEU A 78 -12.156 2.525 -2.142 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.470 2.322 -5.061 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.498 0.416 -2.703 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.258 -0.062 -4.208 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.431 1.046 -4.142 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.638 -1.326 -4.137 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.529 -0.940 -2.645 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.318 -1.877 -3.936 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.211 -0.226 -6.272 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.895 -0.779 -6.110 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.546 0.949 -6.354 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.823 2.968 -3.057 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.252 3.188 -2.924 1.00 1.00 C ATOM 1177 C GLU A 79 -16.787 4.093 -4.025 1.00 1.00 C ATOM 1178 O GLU A 79 -17.702 3.725 -4.764 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.546 3.837 -1.576 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.193 2.858 -0.463 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.513 3.465 0.901 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.092 4.537 0.931 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.179 2.840 1.895 1.00 1.00 O ATOM 0 H GLU A 79 -14.252 3.407 -2.335 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.743 2.218 -3.001 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.968 4.755 -1.467 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.598 4.114 -1.514 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.750 1.931 -0.595 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.134 2.604 -0.516 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.227 5.298 -4.097 1.00 1.00 N ATOM 1191 CA LYS A 80 -16.670 6.304 -5.078 1.00 1.00 C ATOM 1192 C LYS A 80 -15.649 6.448 -6.205 1.00 1.00 C ATOM 1193 O LYS A 80 -15.996 6.790 -7.336 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.898 7.681 -4.380 1.00 1.00 C ATOM 1195 CG LYS A 80 -16.275 7.705 -2.974 1.00 1.00 C ATOM 1196 CD LYS A 80 -14.756 7.787 -3.092 1.00 1.00 C ATOM 1197 CE LYS A 80 -14.133 7.793 -1.705 1.00 1.00 C ATOM 1198 NZ LYS A 80 -14.323 9.136 -1.094 1.00 1.00 N ATOM 0 H LYS A 80 -15.467 5.608 -3.492 1.00 1.00 H new ATOM 0 HA LYS A 80 -17.613 5.967 -5.508 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -16.463 8.475 -4.987 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -17.967 7.883 -4.310 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -16.653 8.559 -2.412 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -16.560 6.809 -2.423 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -14.380 6.940 -3.666 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -14.472 8.690 -3.633 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -14.595 7.027 -1.082 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -13.071 7.555 -1.768 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -13.527 9.344 -0.457 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -14.364 9.856 -1.844 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -15.211 9.149 -0.553 1.00 1.00 H new ATOM 1212 N LYS A 81 -14.391 6.197 -5.883 1.00 1.00 N ATOM 1213 CA LYS A 81 -13.314 6.312 -6.860 1.00 1.00 C ATOM 1214 C LYS A 81 -12.845 4.938 -7.301 1.00 1.00 C ATOM 1215 O LYS A 81 -12.897 3.981 -6.537 1.00 1.00 O ATOM 1216 CB LYS A 81 -12.146 7.101 -6.254 1.00 1.00 C ATOM 1217 CG LYS A 81 -12.538 8.579 -6.069 1.00 1.00 C ATOM 1218 CD LYS A 81 -12.314 9.358 -7.371 1.00 1.00 C ATOM 1219 CE LYS A 81 -12.699 10.819 -7.160 1.00 1.00 C ATOM 1220 NZ LYS A 81 -12.454 11.568 -8.422 1.00 1.00 N ATOM 0 H LYS A 81 -14.087 5.912 -4.952 1.00 1.00 H new ATOM 0 HA LYS A 81 -13.689 6.843 -7.735 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -11.866 6.669 -5.293 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -11.273 7.028 -6.903 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -13.584 8.650 -5.771 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -11.947 9.021 -5.267 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -11.270 9.286 -7.676 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -12.911 8.925 -8.174 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -13.748 10.895 -6.874 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -12.115 11.249 -6.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -12.713 12.566 -8.289 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -11.447 11.503 -8.675 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -13.030 11.159 -9.186 1.00 1.00 H new ATOM 1234 N ALA A 82 -12.398 4.850 -8.542 1.00 1.00 N ATOM 1235 CA ALA A 82 -11.929 3.581 -9.082 1.00 1.00 C ATOM 1236 C ALA A 82 -11.471 3.754 -10.528 1.00 1.00 C ATOM 1237 O ALA A 82 -11.695 4.819 -11.077 1.00 1.00 O ATOM 1238 CB ALA A 82 -13.049 2.535 -9.011 1.00 1.00 C ATOM 1239 OXT ALA A 82 -10.902 2.816 -11.063 1.00 1.00 O ATOM 0 H ALA A 82 -12.349 5.634 -9.192 1.00 1.00 H new ATOM 0 HA ALA A 82 -11.083 3.240 -8.485 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -12.690 1.589 -9.417 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -13.350 2.394 -7.973 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -13.905 2.878 -9.593 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 9.647 9.797 2.735 1.00 1.00 O HETATM 1247 P24 PNS A 101 9.207 10.676 4.010 1.00 1.00 P HETATM 1248 O25 PNS A 101 10.431 11.202 4.653 1.00 1.00 O HETATM 1249 O26 PNS A 101 8.135 11.605 3.586 1.00 1.00 O HETATM 1250 O27 PNS A 101 8.559 9.576 4.988 1.00 1.00 O HETATM 1251 C28 PNS A 101 9.001 9.465 6.334 1.00 1.00 C HETATM 1252 C29 PNS A 101 8.000 8.625 7.131 1.00 1.00 C HETATM 1253 C30 PNS A 101 8.051 7.170 6.671 1.00 1.00 C HETATM 1254 C31 PNS A 101 6.591 9.193 6.913 1.00 1.00 C HETATM 1255 C32 PNS A 101 8.351 8.666 8.615 1.00 1.00 C HETATM 1256 O33 PNS A 101 7.404 7.880 9.316 1.00 1.00 O HETATM 1257 C34 PNS A 101 9.755 8.109 8.849 1.00 1.00 C HETATM 1258 O35 PNS A 101 10.753 8.785 8.596 1.00 1.00 O HETATM 1259 N36 PNS A 101 9.822 6.872 9.329 1.00 1.00 N HETATM 1260 C37 PNS A 101 11.106 6.233 9.591 1.00 1.00 C HETATM 1261 C38 PNS A 101 10.943 4.712 9.618 1.00 1.00 C HETATM 1262 C39 PNS A 101 12.312 4.043 9.642 1.00 1.00 C HETATM 1263 O40 PNS A 101 13.249 4.547 10.259 1.00 1.00 O HETATM 1264 N41 PNS A 101 12.420 2.902 8.966 1.00 1.00 N HETATM 1265 C42 PNS A 101 13.683 2.174 8.920 1.00 1.00 C HETATM 1266 C43 PNS A 101 14.648 2.846 7.943 1.00 1.00 C HETATM 1267 S44 PNS A 101 14.013 2.695 6.277 1.00 1.00 S HETATM 0 H432 PNS A 101 14.771 3.897 8.203 1.00 1.00 H new HETATM 0 H431 PNS A 101 15.632 2.383 8.012 1.00 1.00 H new HETATM 0 H422 PNS A 101 13.505 1.143 8.615 1.00 1.00 H new HETATM 0 H421 PNS A 101 14.127 2.140 9.915 1.00 1.00 H new HETATM 0 H382 PNS A 101 10.383 4.382 8.743 1.00 1.00 H new HETATM 0 H381 PNS A 101 10.368 4.415 10.495 1.00 1.00 H new HETATM 0 H372 PNS A 101 11.506 6.580 10.544 1.00 1.00 H new HETATM 0 H371 PNS A 101 11.825 6.515 8.822 1.00 1.00 H new HETATM 0 H313 PNS A 101 5.869 8.602 7.477 1.00 1.00 H new HETATM 0 H312 PNS A 101 6.343 9.154 5.852 1.00 1.00 H new HETATM 0 H311 PNS A 101 6.559 10.227 7.255 1.00 1.00 H new HETATM 0 H303 PNS A 101 7.335 6.582 7.245 1.00 1.00 H new HETATM 0 H302 PNS A 101 9.054 6.774 6.828 1.00 1.00 H new HETATM 0 H301 PNS A 101 7.800 7.114 5.612 1.00 1.00 H new HETATM 0 H282 PNS A 101 9.097 10.455 6.779 1.00 1.00 H new HETATM 0 H281 PNS A 101 9.988 9.003 6.367 1.00 1.00 H new HETATM 0 H41 PNS A 101 11.608 2.531 8.473 1.00 1.00 H new HETATM 0 H36 PNS A 101 8.960 6.360 9.518 1.00 1.00 H new HETATM 0 H33 PNS A 101 7.613 7.892 10.273 1.00 1.00 H new HETATM 0 H32 PNS A 101 8.329 9.697 8.969 1.00 1.00 H new HETATM 1288 C1 STE A 102 14.132 1.120 5.548 1.00 1.00 C HETATM 1289 O1 STE A 102 14.611 0.163 6.110 1.00 1.00 O HETATM 1290 C2 STE A 102 13.575 1.109 4.155 1.00 1.00 C HETATM 1291 C3 STE A 102 12.065 1.341 4.194 1.00 1.00 C HETATM 1292 C4 STE A 102 11.497 1.254 2.779 1.00 1.00 C HETATM 1293 C5 STE A 102 10.014 1.630 2.802 1.00 1.00 C HETATM 1294 C6 STE A 102 9.493 1.729 1.363 1.00 1.00 C HETATM 1295 C7 STE A 102 7.960 1.700 1.352 1.00 1.00 C HETATM 1296 C8 STE A 102 7.410 3.039 1.856 1.00 1.00 C HETATM 1297 C9 STE A 102 5.897 3.083 1.635 1.00 1.00 C HETATM 1298 C10 STE A 102 5.341 4.396 2.192 1.00 1.00 C HETATM 1299 C11 STE A 102 3.816 4.309 2.291 1.00 1.00 C HETATM 1300 C12 STE A 102 3.211 4.239 0.886 1.00 1.00 C HETATM 1301 C13 STE A 102 1.713 4.533 0.961 1.00 1.00 C HETATM 1302 C14 STE A 102 1.104 4.394 -0.430 1.00 1.00 C HETATM 1303 C15 STE A 102 -0.424 4.494 -0.333 1.00 1.00 C HETATM 1304 C16 STE A 102 -1.010 3.273 0.421 1.00 1.00 C HETATM 1305 C17 STE A 102 -2.404 2.929 -0.124 1.00 1.00 C HETATM 1306 C18 STE A 102 -3.351 4.091 0.152 1.00 1.00 C HETATM 0 H183 STE A 102 -3.411 4.264 1.226 1.00 1.00 H new HETATM 0 H182 STE A 102 -2.978 4.989 -0.340 1.00 1.00 H new HETATM 0 H181 STE A 102 -4.342 3.852 -0.233 1.00 1.00 H new HETATM 0 H172 STE A 102 -2.351 2.734 -1.195 1.00 1.00 H new HETATM 0 H171 STE A 102 -2.778 2.020 0.347 1.00 1.00 H new HETATM 0 H162 STE A 102 -0.347 2.415 0.309 1.00 1.00 H new HETATM 0 H161 STE A 102 -1.072 3.491 1.487 1.00 1.00 H new HETATM 0 H152 STE A 102 -0.700 5.413 0.184 1.00 1.00 H new HETATM 0 H151 STE A 102 -0.853 4.549 -1.333 1.00 1.00 H new HETATM 0 H142 STE A 102 1.489 5.174 -1.087 1.00 1.00 H new HETATM 0 H141 STE A 102 1.389 3.438 -0.869 1.00 1.00 H new HETATM 0 H132 STE A 102 1.229 3.844 1.653 1.00 1.00 H new HETATM 0 H131 STE A 102 1.547 5.540 1.345 1.00 1.00 H new HETATM 0 H122 STE A 102 3.701 4.959 0.231 1.00 1.00 H new HETATM 0 H121 STE A 102 3.378 3.252 0.456 1.00 1.00 H new HETATM 0 H112 STE A 102 3.529 3.428 2.865 1.00 1.00 H new HETATM 0 H111 STE A 102 3.426 5.177 2.822 1.00 1.00 H new HETATM 0 H102 STE A 102 5.768 4.595 3.175 1.00 1.00 H new HETATM 0 H101 STE A 102 5.626 5.226 1.546 1.00 1.00 H new HETATM 0 H92 STE A 102 5.671 3.001 0.572 1.00 1.00 H new HETATM 0 H91 STE A 102 5.421 2.235 2.128 1.00 1.00 H new HETATM 0 H82 STE A 102 7.638 3.163 2.915 1.00 1.00 H new HETATM 0 H81 STE A 102 7.890 3.863 1.328 1.00 1.00 H new HETATM 0 H72 STE A 102 7.598 1.505 0.342 1.00 1.00 H new HETATM 0 H71 STE A 102 7.598 0.888 1.982 1.00 1.00 H new HETATM 0 H62 STE A 102 9.850 2.650 0.902 1.00 1.00 H new HETATM 0 H61 STE A 102 9.884 0.903 0.769 1.00 1.00 H new HETATM 0 H52 STE A 102 9.446 0.882 3.356 1.00 1.00 H new HETATM 0 H51 STE A 102 9.876 2.581 3.317 1.00 1.00 H new HETATM 0 H42 STE A 102 12.043 1.924 2.114 1.00 1.00 H new HETATM 0 H41 STE A 102 11.621 0.245 2.387 1.00 1.00 H new HETATM 0 H32 STE A 102 11.589 0.598 4.834 1.00 1.00 H new HETATM 0 H31 STE A 102 11.848 2.319 4.624 1.00 1.00 H new HETATM 0 H22 STE A 102 14.055 1.883 3.557 1.00 1.00 H new HETATM 0 H21 STE A 102 13.792 0.155 3.675 1.00 1.00 H new