USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 548 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 Set 1.1: A 4 THR OG1 : rot -114:sc= 0.484 USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= -3.27! USER MOD Set 2.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc=-0.000402 X(o=-0.0004,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.708 USER MOD Single : A 12 MET CE :methyl -97:sc= -25.4! (180deg=-27.1!) USER MOD Single : A 13 THR OG1 : rot -63:sc= 1.12 USER MOD Single : A 20 THR OG1 : rot 78:sc= 0.0646 USER MOD Single : A 22 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0618) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0223) USER MOD Single : A 32 SER OG : rot 111:sc= 1.26 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.894 USER MOD Single : A 55 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.083) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -110:sc= -2.28! USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= -0.273 (180deg=-1.96!) USER MOD Single : A 61 THR OG1 : rot -140:sc= -3.38! USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0389 USER MOD Single : A 68 SER OG : rot -130:sc= -6.7! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -5.19! C(o=-6.1!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.669 1.675 -0.513 1.00 0.00 N ATOM 2 CA ALA A 1 16.668 0.572 -0.590 1.00 0.00 C ATOM 3 C ALA A 1 15.678 0.676 0.568 1.00 0.00 C ATOM 4 O ALA A 1 15.431 -0.278 1.271 1.00 0.00 O ATOM 5 CB ALA A 1 17.484 -0.715 -0.481 1.00 0.00 C ATOM 0 H1 ALA A 1 18.337 1.594 -1.306 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.180 2.592 -0.565 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.189 1.610 0.385 1.00 0.00 H new ATOM 0 HA ALA A 1 16.086 0.608 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.816 -1.575 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.198 -0.764 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.021 -0.726 0.468 1.00 0.00 H new ATOM 13 N THR A 2 15.112 1.831 0.762 1.00 0.00 N ATOM 14 CA THR A 2 14.142 2.036 1.850 1.00 0.00 C ATOM 15 C THR A 2 13.273 3.234 1.488 1.00 0.00 C ATOM 16 O THR A 2 13.610 4.366 1.773 1.00 0.00 O ATOM 17 CB THR A 2 14.981 2.352 3.073 1.00 0.00 C ATOM 18 OG1 THR A 2 16.296 2.714 2.671 1.00 0.00 O ATOM 19 CG2 THR A 2 15.035 1.131 3.984 1.00 0.00 C ATOM 0 H THR A 2 15.291 2.658 0.193 1.00 0.00 H new ATOM 0 HA THR A 2 13.496 1.175 2.021 1.00 0.00 H new ATOM 0 HB THR A 2 14.532 3.184 3.615 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.835 2.919 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.638 1.359 4.863 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.025 0.865 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.480 0.295 3.445 1.00 0.00 H new ATOM 27 N GLN A 3 12.183 3.003 0.830 1.00 0.00 N ATOM 28 CA GLN A 3 11.323 4.154 0.414 1.00 0.00 C ATOM 29 C GLN A 3 9.966 4.126 1.118 1.00 0.00 C ATOM 30 O GLN A 3 9.504 3.100 1.574 1.00 0.00 O ATOM 31 CB GLN A 3 11.131 4.003 -1.101 1.00 0.00 C ATOM 32 CG GLN A 3 12.380 3.388 -1.742 1.00 0.00 C ATOM 33 CD GLN A 3 12.513 3.886 -3.182 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.552 4.379 -3.573 1.00 0.00 O ATOM 35 NE2 GLN A 3 11.496 3.778 -3.993 1.00 0.00 N ATOM 0 H GLN A 3 11.844 2.080 0.559 1.00 0.00 H new ATOM 0 HA GLN A 3 11.791 5.102 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.264 3.374 -1.303 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.928 4.977 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.267 3.659 -1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.311 2.300 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 3 10.624 3.364 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.574 4.108 -4.955 1.00 0.00 H new ATOM 44 N THR A 4 9.323 5.259 1.192 1.00 0.00 N ATOM 45 CA THR A 4 7.987 5.333 1.846 1.00 0.00 C ATOM 46 C THR A 4 7.053 6.197 0.994 1.00 0.00 C ATOM 47 O THR A 4 7.333 7.348 0.725 1.00 0.00 O ATOM 48 CB THR A 4 8.244 5.996 3.201 1.00 0.00 C ATOM 49 OG1 THR A 4 9.238 5.266 3.911 1.00 0.00 O ATOM 50 CG2 THR A 4 6.948 6.022 4.011 1.00 0.00 C ATOM 0 H THR A 4 9.670 6.145 0.824 1.00 0.00 H new ATOM 0 HA THR A 4 7.518 4.356 1.959 1.00 0.00 H new ATOM 0 HB THR A 4 8.593 7.017 3.044 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.838 4.859 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.132 6.494 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.191 6.588 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.596 5.002 4.167 1.00 0.00 H new ATOM 58 N VAL A 5 5.951 5.652 0.560 1.00 0.00 N ATOM 59 CA VAL A 5 5.010 6.443 -0.285 1.00 0.00 C ATOM 60 C VAL A 5 3.583 6.302 0.231 1.00 0.00 C ATOM 61 O VAL A 5 3.294 5.511 1.105 1.00 0.00 O ATOM 62 CB VAL A 5 5.131 5.840 -1.684 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.445 6.293 -2.325 1.00 0.00 C ATOM 64 CG2 VAL A 5 5.115 4.314 -1.585 1.00 0.00 C ATOM 0 H VAL A 5 5.660 4.694 0.753 1.00 0.00 H new ATOM 0 HA VAL A 5 5.247 7.507 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 5 4.293 6.175 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.531 5.862 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.459 7.381 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.283 5.959 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.201 3.884 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.952 3.980 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.180 3.989 -1.129 1.00 0.00 H new ATOM 74 N THR A 6 2.687 7.055 -0.328 1.00 0.00 N ATOM 75 CA THR A 6 1.268 6.970 0.089 1.00 0.00 C ATOM 76 C THR A 6 0.491 6.301 -1.033 1.00 0.00 C ATOM 77 O THR A 6 0.920 6.301 -2.167 1.00 0.00 O ATOM 78 CB THR A 6 0.811 8.417 0.291 1.00 0.00 C ATOM 79 OG1 THR A 6 -0.439 8.425 0.963 1.00 0.00 O ATOM 80 CG2 THR A 6 0.664 9.106 -1.067 1.00 0.00 C ATOM 0 H THR A 6 2.879 7.734 -1.065 1.00 0.00 H new ATOM 0 HA THR A 6 1.116 6.392 1.001 1.00 0.00 H new ATOM 0 HB THR A 6 1.551 8.951 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.733 9.350 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.339 10.136 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.623 9.099 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.075 8.574 -1.667 1.00 0.00 H new ATOM 88 N LEU A 7 -0.634 5.722 -0.745 1.00 0.00 N ATOM 89 CA LEU A 7 -1.391 5.048 -1.830 1.00 0.00 C ATOM 90 C LEU A 7 -2.821 5.560 -1.896 1.00 0.00 C ATOM 91 O LEU A 7 -3.375 6.058 -0.935 1.00 0.00 O ATOM 92 CB LEU A 7 -1.372 3.550 -1.496 1.00 0.00 C ATOM 93 CG LEU A 7 -0.427 2.829 -2.459 1.00 0.00 C ATOM 94 CD1 LEU A 7 0.901 3.567 -2.503 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.182 1.394 -1.984 1.00 0.00 C ATOM 0 H LEU A 7 -1.059 5.685 0.181 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.941 5.247 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.046 3.399 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.377 3.135 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.880 2.808 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.578 3.057 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.738 4.588 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.340 3.586 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.492 0.891 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.266 1.411 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.130 0.857 -1.945 1.00 0.00 H new ATOM 107 N ALA A 8 -3.412 5.420 -3.037 1.00 0.00 N ATOM 108 CA ALA A 8 -4.817 5.873 -3.233 1.00 0.00 C ATOM 109 C ALA A 8 -5.605 4.762 -3.922 1.00 0.00 C ATOM 110 O ALA A 8 -5.467 4.536 -5.106 1.00 0.00 O ATOM 111 CB ALA A 8 -4.716 7.102 -4.138 1.00 0.00 C ATOM 0 H ALA A 8 -2.979 5.004 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.324 6.108 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.714 7.496 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.112 7.866 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.249 6.821 -5.082 1.00 0.00 H new ATOM 117 N VAL A 9 -6.411 4.050 -3.190 1.00 0.00 N ATOM 118 CA VAL A 9 -7.175 2.933 -3.819 1.00 0.00 C ATOM 119 C VAL A 9 -8.667 3.293 -3.926 1.00 0.00 C ATOM 120 O VAL A 9 -9.379 3.248 -2.948 1.00 0.00 O ATOM 121 CB VAL A 9 -6.987 1.721 -2.893 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.121 0.443 -3.719 1.00 0.00 C ATOM 123 CG2 VAL A 9 -5.603 1.727 -2.218 1.00 0.00 C ATOM 0 H VAL A 9 -6.575 4.188 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.820 2.728 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.748 1.770 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.989 -0.424 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.110 0.407 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.360 0.432 -4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.510 0.854 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.826 1.698 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.493 2.633 -1.622 1.00 0.00 H new ATOM 133 N PRO A 10 -9.094 3.656 -5.114 1.00 0.00 N ATOM 134 CA PRO A 10 -10.513 4.042 -5.338 1.00 0.00 C ATOM 135 C PRO A 10 -11.452 2.829 -5.267 1.00 0.00 C ATOM 136 O PRO A 10 -12.644 2.950 -5.475 1.00 0.00 O ATOM 137 CB PRO A 10 -10.478 4.611 -6.760 1.00 0.00 C ATOM 138 CG PRO A 10 -9.081 4.361 -7.359 1.00 0.00 C ATOM 139 CD PRO A 10 -8.195 3.708 -6.290 1.00 0.00 C ATOM 0 HA PRO A 10 -10.888 4.738 -4.587 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.243 4.137 -7.375 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.697 5.679 -6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.155 3.715 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.640 5.300 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.863 2.714 -6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.300 4.297 -6.090 1.00 0.00 H new ATOM 147 N GLY A 11 -10.937 1.664 -4.988 1.00 0.00 N ATOM 148 CA GLY A 11 -11.820 0.462 -4.923 1.00 0.00 C ATOM 149 C GLY A 11 -12.225 0.181 -3.474 1.00 0.00 C ATOM 150 O GLY A 11 -12.955 -0.750 -3.195 1.00 0.00 O ATOM 0 H GLY A 11 -9.949 1.491 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.710 0.622 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.301 -0.402 -5.337 1.00 0.00 H new ATOM 154 N MET A 12 -11.755 0.969 -2.549 1.00 0.00 N ATOM 155 CA MET A 12 -12.112 0.735 -1.114 1.00 0.00 C ATOM 156 C MET A 12 -13.098 1.805 -0.637 1.00 0.00 C ATOM 157 O MET A 12 -13.229 2.852 -1.239 1.00 0.00 O ATOM 158 CB MET A 12 -10.799 0.834 -0.315 1.00 0.00 C ATOM 159 CG MET A 12 -9.579 0.659 -1.231 1.00 0.00 C ATOM 160 SD MET A 12 -9.700 -0.900 -2.137 1.00 0.00 S ATOM 161 CE MET A 12 -10.109 -1.923 -0.715 1.00 0.00 C ATOM 0 H MET A 12 -11.140 1.765 -2.719 1.00 0.00 H new ATOM 0 HA MET A 12 -12.585 -0.238 -0.978 1.00 0.00 H new ATOM 0 HB2 MET A 12 -10.746 1.801 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.785 0.071 0.464 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.518 1.492 -1.932 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.664 0.674 -0.638 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.205 -2.402 -0.339 1.00 0.00 H new ATOM 0 HE2 MET A 12 -10.542 -1.301 0.068 1.00 0.00 H new ATOM 0 HE3 MET A 12 -10.828 -2.687 -1.011 1.00 0.00 H new ATOM 171 N THR A 13 -13.796 1.553 0.440 1.00 0.00 N ATOM 172 CA THR A 13 -14.770 2.565 0.940 1.00 0.00 C ATOM 173 C THR A 13 -15.497 2.063 2.194 1.00 0.00 C ATOM 174 O THR A 13 -16.646 2.387 2.418 1.00 0.00 O ATOM 175 CB THR A 13 -15.762 2.750 -0.209 1.00 0.00 C ATOM 176 OG1 THR A 13 -16.912 3.435 0.265 1.00 0.00 O ATOM 177 CG2 THR A 13 -16.170 1.382 -0.757 1.00 0.00 C ATOM 0 H THR A 13 -13.734 0.697 0.990 1.00 0.00 H new ATOM 0 HA THR A 13 -14.277 3.495 1.223 1.00 0.00 H new ATOM 0 HB THR A 13 -15.294 3.332 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.365 2.886 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.877 1.514 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.287 0.858 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.638 0.797 0.035 1.00 0.00 H new ATOM 185 N CYS A 14 -14.850 1.282 3.019 1.00 0.00 N ATOM 186 CA CYS A 14 -15.537 0.786 4.248 1.00 0.00 C ATOM 187 C CYS A 14 -14.539 0.035 5.139 1.00 0.00 C ATOM 188 O CYS A 14 -13.432 -0.243 4.740 1.00 0.00 O ATOM 189 CB CYS A 14 -16.675 -0.121 3.720 1.00 0.00 C ATOM 190 SG CYS A 14 -16.456 -1.857 4.216 1.00 0.00 S ATOM 0 H CYS A 14 -13.887 0.969 2.898 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.940 1.583 4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.631 0.244 4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.713 -0.058 2.633 1.00 0.00 H new ATOM 195 N ALA A 15 -14.925 -0.298 6.339 1.00 0.00 N ATOM 196 CA ALA A 15 -13.991 -1.033 7.239 1.00 0.00 C ATOM 197 C ALA A 15 -13.920 -2.507 6.832 1.00 0.00 C ATOM 198 O ALA A 15 -14.527 -3.359 7.449 1.00 0.00 O ATOM 199 CB ALA A 15 -14.592 -0.895 8.638 1.00 0.00 C ATOM 0 H ALA A 15 -15.843 -0.094 6.735 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.976 -0.637 7.192 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.959 -1.412 9.359 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.657 0.160 8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.589 -1.334 8.650 1.00 0.00 H new ATOM 205 N ALA A 16 -13.185 -2.817 5.797 1.00 0.00 N ATOM 206 CA ALA A 16 -13.086 -4.238 5.360 1.00 0.00 C ATOM 207 C ALA A 16 -12.173 -4.371 4.137 1.00 0.00 C ATOM 208 O ALA A 16 -11.308 -5.220 4.093 1.00 0.00 O ATOM 209 CB ALA A 16 -14.516 -4.643 5.001 1.00 0.00 C ATOM 0 H ALA A 16 -12.652 -2.151 5.238 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.659 -4.871 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.528 -5.681 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.155 -4.536 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.886 -4.001 4.201 1.00 0.00 H new ATOM 215 N CYS A 17 -12.371 -3.560 3.132 1.00 0.00 N ATOM 216 CA CYS A 17 -11.518 -3.675 1.911 1.00 0.00 C ATOM 217 C CYS A 17 -10.304 -2.727 1.962 1.00 0.00 C ATOM 218 O CYS A 17 -9.211 -3.142 1.640 1.00 0.00 O ATOM 219 CB CYS A 17 -12.435 -3.339 0.730 1.00 0.00 C ATOM 220 SG CYS A 17 -14.045 -4.140 0.947 1.00 0.00 S ATOM 0 H CYS A 17 -13.081 -2.828 3.102 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.098 -4.677 1.823 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.564 -2.259 0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.977 -3.671 -0.202 1.00 0.00 H new ATOM 225 N PRO A 18 -10.499 -1.486 2.358 1.00 0.00 N ATOM 226 CA PRO A 18 -9.353 -0.546 2.422 1.00 0.00 C ATOM 227 C PRO A 18 -8.396 -1.054 3.501 1.00 0.00 C ATOM 228 O PRO A 18 -7.195 -1.022 3.354 1.00 0.00 O ATOM 229 CB PRO A 18 -10.018 0.777 2.791 1.00 0.00 C ATOM 230 CG PRO A 18 -11.517 0.518 3.042 1.00 0.00 C ATOM 231 CD PRO A 18 -11.819 -0.963 2.766 1.00 0.00 C ATOM 0 HA PRO A 18 -8.765 -0.446 1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.552 1.200 3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.888 1.503 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.776 0.770 4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.123 1.153 2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.201 -1.471 3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.565 -1.086 1.981 1.00 0.00 H new ATOM 239 N ILE A 19 -8.946 -1.562 4.567 1.00 0.00 N ATOM 240 CA ILE A 19 -8.113 -2.155 5.653 1.00 0.00 C ATOM 241 C ILE A 19 -7.281 -3.305 5.064 1.00 0.00 C ATOM 242 O ILE A 19 -6.139 -3.539 5.427 1.00 0.00 O ATOM 243 CB ILE A 19 -9.160 -2.692 6.636 1.00 0.00 C ATOM 244 CG1 ILE A 19 -8.592 -2.722 8.054 1.00 0.00 C ATOM 245 CG2 ILE A 19 -9.599 -4.107 6.241 1.00 0.00 C ATOM 246 CD1 ILE A 19 -9.672 -3.204 9.024 1.00 0.00 C ATOM 0 H ILE A 19 -9.951 -1.593 4.736 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.417 -1.458 6.120 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.023 -2.027 6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.727 -3.384 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.247 -1.728 8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.342 -4.469 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.032 -4.088 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.735 -4.772 6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.268 -3.226 10.036 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.523 -2.524 8.988 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.995 -4.206 8.740 1.00 0.00 H new ATOM 258 N THR A 20 -7.869 -4.019 4.141 1.00 0.00 N ATOM 259 CA THR A 20 -7.156 -5.151 3.491 1.00 0.00 C ATOM 260 C THR A 20 -5.961 -4.594 2.740 1.00 0.00 C ATOM 261 O THR A 20 -5.001 -5.284 2.459 1.00 0.00 O ATOM 262 CB THR A 20 -8.165 -5.756 2.513 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.352 -6.097 3.213 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.569 -7.011 1.877 1.00 0.00 C ATOM 0 H THR A 20 -8.821 -3.863 3.809 1.00 0.00 H new ATOM 0 HA THR A 20 -6.798 -5.897 4.201 1.00 0.00 H new ATOM 0 HB THR A 20 -8.397 -5.031 1.733 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.878 -5.287 3.379 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.288 -7.442 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.656 -6.749 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.337 -7.738 2.655 1.00 0.00 H new ATOM 272 N VAL A 21 -6.016 -3.333 2.433 1.00 0.00 N ATOM 273 CA VAL A 21 -4.888 -2.698 1.722 1.00 0.00 C ATOM 274 C VAL A 21 -3.716 -2.619 2.683 1.00 0.00 C ATOM 275 O VAL A 21 -2.572 -2.746 2.302 1.00 0.00 O ATOM 276 CB VAL A 21 -5.365 -1.294 1.342 1.00 0.00 C ATOM 277 CG1 VAL A 21 -4.333 -0.635 0.425 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.707 -1.384 0.614 1.00 0.00 C ATOM 0 H VAL A 21 -6.799 -2.715 2.646 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.578 -3.250 0.835 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.484 -0.698 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.673 0.365 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.377 -0.565 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.213 -1.234 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.043 -0.383 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.591 -1.983 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.444 -1.851 1.267 1.00 0.00 H new ATOM 288 N LYS A 22 -4.006 -2.441 3.944 1.00 0.00 N ATOM 289 CA LYS A 22 -2.920 -2.383 4.944 1.00 0.00 C ATOM 290 C LYS A 22 -2.267 -3.748 5.002 1.00 0.00 C ATOM 291 O LYS A 22 -1.061 -3.879 5.066 1.00 0.00 O ATOM 292 CB LYS A 22 -3.593 -2.057 6.277 1.00 0.00 C ATOM 293 CG LYS A 22 -2.541 -1.535 7.260 1.00 0.00 C ATOM 294 CD LYS A 22 -3.221 -1.104 8.561 1.00 0.00 C ATOM 295 CE LYS A 22 -2.192 -1.096 9.694 1.00 0.00 C ATOM 296 NZ LYS A 22 -2.128 -2.507 10.167 1.00 0.00 N ATOM 0 H LYS A 22 -4.949 -2.334 4.317 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.159 -1.640 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.373 -1.310 6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.076 -2.947 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.803 -2.311 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.006 -0.693 6.822 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.658 -0.112 8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.037 -1.786 8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.219 -0.754 9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.494 -0.424 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.154 -2.733 10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.765 -2.630 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.420 -3.144 9.399 1.00 0.00 H new ATOM 310 N LYS A 23 -3.067 -4.774 4.960 1.00 0.00 N ATOM 311 CA LYS A 23 -2.494 -6.138 4.993 1.00 0.00 C ATOM 312 C LYS A 23 -1.730 -6.393 3.695 1.00 0.00 C ATOM 313 O LYS A 23 -0.817 -7.192 3.632 1.00 0.00 O ATOM 314 CB LYS A 23 -3.691 -7.082 5.118 1.00 0.00 C ATOM 315 CG LYS A 23 -3.218 -8.529 4.963 1.00 0.00 C ATOM 316 CD LYS A 23 -3.294 -8.934 3.490 1.00 0.00 C ATOM 317 CE LYS A 23 -4.405 -9.968 3.302 1.00 0.00 C ATOM 318 NZ LYS A 23 -3.891 -10.898 2.260 1.00 0.00 N ATOM 0 H LYS A 23 -4.084 -4.725 4.905 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.795 -6.282 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.174 -6.948 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.434 -6.847 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.195 -8.630 5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.838 -9.192 5.566 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.489 -8.058 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.339 -9.348 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.616 -10.495 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.335 -9.496 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.598 -11.638 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.706 -10.369 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.009 -11.338 2.592 1.00 0.00 H new ATOM 332 N ALA A 24 -2.109 -5.708 2.660 1.00 0.00 N ATOM 333 CA ALA A 24 -1.435 -5.879 1.348 1.00 0.00 C ATOM 334 C ALA A 24 -0.012 -5.315 1.395 1.00 0.00 C ATOM 335 O ALA A 24 0.946 -6.003 1.103 1.00 0.00 O ATOM 336 CB ALA A 24 -2.291 -5.091 0.359 1.00 0.00 C ATOM 0 H ALA A 24 -2.868 -5.027 2.666 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.345 -6.929 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.858 -5.168 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.302 -5.498 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.325 -4.044 0.661 1.00 0.00 H new ATOM 342 N LEU A 25 0.137 -4.067 1.759 1.00 0.00 N ATOM 343 CA LEU A 25 1.505 -3.475 1.820 1.00 0.00 C ATOM 344 C LEU A 25 2.351 -4.241 2.832 1.00 0.00 C ATOM 345 O LEU A 25 3.525 -4.458 2.634 1.00 0.00 O ATOM 346 CB LEU A 25 1.317 -2.031 2.285 1.00 0.00 C ATOM 347 CG LEU A 25 0.177 -1.375 1.512 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.870 -0.881 2.507 1.00 0.00 C ATOM 349 CD2 LEU A 25 0.715 -0.190 0.707 1.00 0.00 C ATOM 0 H LEU A 25 -0.624 -3.437 2.015 1.00 0.00 H new ATOM 0 HA LEU A 25 2.010 -3.522 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.102 -2.010 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.239 -1.469 2.135 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.269 -2.097 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.691 -0.410 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.251 -1.724 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.416 -0.156 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.102 0.276 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.158 0.539 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.472 -0.540 0.006 1.00 0.00 H new ATOM 361 N SER A 26 1.761 -4.661 3.914 1.00 0.00 N ATOM 362 CA SER A 26 2.537 -5.420 4.928 1.00 0.00 C ATOM 363 C SER A 26 2.873 -6.795 4.367 1.00 0.00 C ATOM 364 O SER A 26 3.785 -7.460 4.817 1.00 0.00 O ATOM 365 CB SER A 26 1.612 -5.538 6.139 1.00 0.00 C ATOM 366 OG SER A 26 2.396 -5.587 7.324 1.00 0.00 O ATOM 0 H SER A 26 0.777 -4.512 4.139 1.00 0.00 H new ATOM 0 HA SER A 26 3.475 -4.934 5.196 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.930 -4.688 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.999 -6.435 6.057 1.00 0.00 H new ATOM 0 HG SER A 26 1.807 -5.661 8.103 1.00 0.00 H new ATOM 372 N LYS A 27 2.138 -7.227 3.379 1.00 0.00 N ATOM 373 CA LYS A 27 2.414 -8.557 2.786 1.00 0.00 C ATOM 374 C LYS A 27 2.924 -8.400 1.352 1.00 0.00 C ATOM 375 O LYS A 27 3.026 -9.357 0.611 1.00 0.00 O ATOM 376 CB LYS A 27 1.073 -9.295 2.802 1.00 0.00 C ATOM 377 CG LYS A 27 0.816 -9.869 4.198 1.00 0.00 C ATOM 378 CD LYS A 27 1.056 -8.785 5.249 1.00 0.00 C ATOM 379 CE LYS A 27 0.257 -9.113 6.511 1.00 0.00 C ATOM 380 NZ LYS A 27 1.016 -10.212 7.170 1.00 0.00 N ATOM 0 H LYS A 27 1.361 -6.715 2.961 1.00 0.00 H new ATOM 0 HA LYS A 27 3.180 -9.101 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.269 -8.614 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.080 -10.097 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.207 -10.238 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.474 -10.719 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.118 -8.721 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.757 -7.812 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.174 -8.244 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.758 -9.426 6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.399 -11.042 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.837 -10.466 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.342 -9.896 8.106 1.00 0.00 H new ATOM 394 N VAL A 28 3.241 -7.198 0.953 1.00 0.00 N ATOM 395 CA VAL A 28 3.738 -6.987 -0.436 1.00 0.00 C ATOM 396 C VAL A 28 5.098 -7.663 -0.626 1.00 0.00 C ATOM 397 O VAL A 28 5.329 -8.323 -1.617 1.00 0.00 O ATOM 398 CB VAL A 28 3.860 -5.471 -0.600 1.00 0.00 C ATOM 399 CG1 VAL A 28 4.877 -4.921 0.403 1.00 0.00 C ATOM 400 CG2 VAL A 28 4.330 -5.153 -2.021 1.00 0.00 C ATOM 0 H VAL A 28 3.178 -6.357 1.526 1.00 0.00 H new ATOM 0 HA VAL A 28 3.066 -7.419 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 28 2.889 -5.010 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.960 -3.841 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.548 -5.148 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.849 -5.382 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.418 -4.073 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.300 -5.618 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.607 -5.541 -2.739 1.00 0.00 H new ATOM 410 N GLU A 29 5.995 -7.510 0.320 1.00 0.00 N ATOM 411 CA GLU A 29 7.344 -8.149 0.199 1.00 0.00 C ATOM 412 C GLU A 29 8.345 -7.524 1.177 1.00 0.00 C ATOM 413 O GLU A 29 8.590 -8.043 2.247 1.00 0.00 O ATOM 414 CB GLU A 29 7.800 -7.886 -1.237 1.00 0.00 C ATOM 415 CG GLU A 29 7.695 -9.180 -2.040 1.00 0.00 C ATOM 416 CD GLU A 29 9.023 -9.457 -2.748 1.00 0.00 C ATOM 417 OE1 GLU A 29 10.054 -9.151 -2.172 1.00 0.00 O ATOM 418 OE2 GLU A 29 8.986 -9.971 -3.854 1.00 0.00 O ATOM 0 H GLU A 29 5.850 -6.969 1.172 1.00 0.00 H new ATOM 0 HA GLU A 29 7.291 -9.213 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.183 -7.111 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.827 -7.521 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.444 -10.010 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.891 -9.101 -2.772 1.00 0.00 H new ATOM 425 N GLY A 30 8.950 -6.429 0.798 1.00 0.00 N ATOM 426 CA GLY A 30 9.966 -5.786 1.682 1.00 0.00 C ATOM 427 C GLY A 30 9.319 -4.763 2.619 1.00 0.00 C ATOM 428 O GLY A 30 9.994 -4.126 3.403 1.00 0.00 O ATOM 0 H GLY A 30 8.784 -5.951 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.475 -6.550 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.724 -5.295 1.072 1.00 0.00 H new ATOM 432 N VAL A 31 8.029 -4.595 2.556 1.00 0.00 N ATOM 433 CA VAL A 31 7.368 -3.608 3.463 1.00 0.00 C ATOM 434 C VAL A 31 7.942 -3.719 4.868 1.00 0.00 C ATOM 435 O VAL A 31 8.009 -4.784 5.449 1.00 0.00 O ATOM 436 CB VAL A 31 5.893 -3.983 3.455 1.00 0.00 C ATOM 437 CG1 VAL A 31 5.732 -5.432 3.915 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.130 -3.058 4.404 1.00 0.00 C ATOM 0 H VAL A 31 7.404 -5.093 1.922 1.00 0.00 H new ATOM 0 HA VAL A 31 7.525 -2.580 3.137 1.00 0.00 H new ATOM 0 HB VAL A 31 5.496 -3.878 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.676 -5.700 3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.277 -6.091 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.128 -5.539 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.073 -3.324 4.400 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.527 -3.164 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.245 -2.025 4.076 1.00 0.00 H new ATOM 448 N SER A 32 8.354 -2.617 5.416 1.00 0.00 N ATOM 449 CA SER A 32 8.926 -2.633 6.789 1.00 0.00 C ATOM 450 C SER A 32 8.009 -1.866 7.733 1.00 0.00 C ATOM 451 O SER A 32 8.110 -1.966 8.939 1.00 0.00 O ATOM 452 CB SER A 32 10.284 -1.945 6.666 1.00 0.00 C ATOM 453 OG SER A 32 11.265 -2.908 6.307 1.00 0.00 O ATOM 0 H SER A 32 8.320 -1.699 4.972 1.00 0.00 H new ATOM 0 HA SER A 32 9.028 -3.641 7.190 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.239 -1.157 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.551 -1.470 7.610 1.00 0.00 H new ATOM 0 HG SER A 32 11.567 -2.741 5.390 1.00 0.00 H new ATOM 459 N LYS A 33 7.107 -1.106 7.186 1.00 0.00 N ATOM 460 CA LYS A 33 6.166 -0.332 8.048 1.00 0.00 C ATOM 461 C LYS A 33 4.898 -0.007 7.254 1.00 0.00 C ATOM 462 O LYS A 33 4.895 -0.045 6.042 1.00 0.00 O ATOM 463 CB LYS A 33 6.941 0.934 8.438 1.00 0.00 C ATOM 464 CG LYS A 33 5.982 2.112 8.636 1.00 0.00 C ATOM 465 CD LYS A 33 6.734 3.281 9.276 1.00 0.00 C ATOM 466 CE LYS A 33 6.125 3.594 10.644 1.00 0.00 C ATOM 467 NZ LYS A 33 6.271 5.068 10.801 1.00 0.00 N ATOM 0 H LYS A 33 6.977 -0.985 6.182 1.00 0.00 H new ATOM 0 HA LYS A 33 5.843 -0.878 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.502 0.756 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.668 1.176 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.562 2.417 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.147 1.812 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.790 3.032 9.385 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.678 4.159 8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.078 3.294 10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.644 3.059 11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.875 5.360 11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.278 5.323 10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.761 5.551 10.034 1.00 0.00 H new ATOM 481 N VAL A 34 3.816 0.297 7.920 1.00 0.00 N ATOM 482 CA VAL A 34 2.561 0.602 7.177 1.00 0.00 C ATOM 483 C VAL A 34 1.660 1.541 7.981 1.00 0.00 C ATOM 484 O VAL A 34 1.745 1.628 9.190 1.00 0.00 O ATOM 485 CB VAL A 34 1.881 -0.752 6.989 1.00 0.00 C ATOM 486 CG1 VAL A 34 1.480 -1.314 8.354 1.00 0.00 C ATOM 487 CG2 VAL A 34 0.632 -0.577 6.122 1.00 0.00 C ATOM 0 H VAL A 34 3.747 0.347 8.936 1.00 0.00 H new ATOM 0 HA VAL A 34 2.763 1.104 6.231 1.00 0.00 H new ATOM 0 HB VAL A 34 2.570 -1.442 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.994 -2.281 8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.369 -1.437 8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.790 -0.626 8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.145 -1.543 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.057 0.111 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.917 -0.175 5.150 1.00 0.00 H new ATOM 497 N ASP A 35 0.788 2.234 7.305 1.00 0.00 N ATOM 498 CA ASP A 35 -0.145 3.167 7.988 1.00 0.00 C ATOM 499 C ASP A 35 -1.172 3.629 6.961 1.00 0.00 C ATOM 500 O ASP A 35 -0.985 4.622 6.288 1.00 0.00 O ATOM 501 CB ASP A 35 0.719 4.335 8.464 1.00 0.00 C ATOM 502 CG ASP A 35 0.156 4.883 9.777 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.882 4.400 10.200 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.771 5.775 10.336 1.00 0.00 O ATOM 0 H ASP A 35 0.682 2.191 6.291 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.675 2.718 8.828 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.748 4.006 8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.737 5.120 7.708 1.00 0.00 H new ATOM 509 N VAL A 36 -2.235 2.894 6.801 1.00 0.00 N ATOM 510 CA VAL A 36 -3.242 3.268 5.773 1.00 0.00 C ATOM 511 C VAL A 36 -4.521 3.809 6.404 1.00 0.00 C ATOM 512 O VAL A 36 -4.543 4.246 7.537 1.00 0.00 O ATOM 513 CB VAL A 36 -3.534 1.958 5.037 1.00 0.00 C ATOM 514 CG1 VAL A 36 -2.216 1.301 4.620 1.00 0.00 C ATOM 515 CG2 VAL A 36 -4.300 1.004 5.959 1.00 0.00 C ATOM 0 H VAL A 36 -2.450 2.053 7.336 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.873 4.057 5.118 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.136 2.172 4.154 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.424 0.368 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.667 1.973 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.617 1.093 5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.505 0.073 5.430 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.700 0.794 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.241 1.465 6.260 1.00 0.00 H new ATOM 525 N GLY A 37 -5.589 3.770 5.660 1.00 0.00 N ATOM 526 CA GLY A 37 -6.890 4.263 6.169 1.00 0.00 C ATOM 527 C GLY A 37 -7.990 3.385 5.584 1.00 0.00 C ATOM 528 O GLY A 37 -8.192 3.348 4.380 1.00 0.00 O ATOM 0 H GLY A 37 -5.612 3.411 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.912 4.225 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.041 5.304 5.883 1.00 0.00 H new ATOM 532 N PHE A 38 -8.679 2.663 6.429 1.00 0.00 N ATOM 533 CA PHE A 38 -9.759 1.759 5.963 1.00 0.00 C ATOM 534 C PHE A 38 -10.798 2.562 5.161 1.00 0.00 C ATOM 535 O PHE A 38 -10.557 2.945 4.037 1.00 0.00 O ATOM 536 CB PHE A 38 -10.357 1.167 7.251 1.00 0.00 C ATOM 537 CG PHE A 38 -9.247 0.711 8.181 1.00 0.00 C ATOM 538 CD1 PHE A 38 -7.953 0.481 7.688 1.00 0.00 C ATOM 539 CD2 PHE A 38 -9.513 0.537 9.545 1.00 0.00 C ATOM 540 CE1 PHE A 38 -6.929 0.084 8.558 1.00 0.00 C ATOM 541 CE2 PHE A 38 -8.491 0.134 10.413 1.00 0.00 C ATOM 542 CZ PHE A 38 -7.200 -0.092 9.920 1.00 0.00 C ATOM 0 H PHE A 38 -8.532 2.666 7.438 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.405 0.971 5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -10.976 1.913 7.750 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -11.006 0.326 7.007 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.746 0.610 6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.507 0.714 9.928 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.932 -0.086 8.178 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.699 -0.003 11.464 1.00 0.00 H new ATOM 0 HZ PHE A 38 -6.413 -0.402 10.591 1.00 0.00 H new ATOM 552 N GLU A 39 -11.948 2.827 5.715 1.00 0.00 N ATOM 553 CA GLU A 39 -12.968 3.609 4.957 1.00 0.00 C ATOM 554 C GLU A 39 -12.331 4.858 4.331 1.00 0.00 C ATOM 555 O GLU A 39 -12.708 5.285 3.258 1.00 0.00 O ATOM 556 CB GLU A 39 -14.015 4.006 5.999 1.00 0.00 C ATOM 557 CG GLU A 39 -15.362 4.233 5.308 1.00 0.00 C ATOM 558 CD GLU A 39 -16.490 4.141 6.338 1.00 0.00 C ATOM 559 OE1 GLU A 39 -16.323 4.677 7.421 1.00 0.00 O ATOM 560 OE2 GLU A 39 -17.503 3.536 6.024 1.00 0.00 O ATOM 0 H GLU A 39 -12.226 2.539 6.653 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.401 3.034 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.108 3.224 6.753 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.703 4.913 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.375 5.211 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.510 3.490 4.525 1.00 0.00 H new ATOM 567 N LYS A 40 -11.370 5.449 4.993 1.00 0.00 N ATOM 568 CA LYS A 40 -10.718 6.672 4.432 1.00 0.00 C ATOM 569 C LYS A 40 -10.230 6.418 3.002 1.00 0.00 C ATOM 570 O LYS A 40 -10.371 7.258 2.138 1.00 0.00 O ATOM 571 CB LYS A 40 -9.531 6.952 5.352 1.00 0.00 C ATOM 572 CG LYS A 40 -8.887 8.281 4.955 1.00 0.00 C ATOM 573 CD LYS A 40 -8.063 8.822 6.123 1.00 0.00 C ATOM 574 CE LYS A 40 -8.065 10.351 6.082 1.00 0.00 C ATOM 575 NZ LYS A 40 -7.106 10.764 7.142 1.00 0.00 N ATOM 0 H LYS A 40 -11.009 5.139 5.895 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.410 7.513 4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.862 6.991 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.802 6.145 5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.250 8.141 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.657 9.001 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.478 8.472 7.068 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.041 8.447 6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.756 10.720 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.061 10.750 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.052 11.802 7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.430 10.404 8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.165 10.375 6.930 1.00 0.00 H new ATOM 589 N ARG A 41 -9.651 5.265 2.766 1.00 0.00 N ATOM 590 CA ARG A 41 -9.126 4.898 1.406 1.00 0.00 C ATOM 591 C ARG A 41 -7.751 5.513 1.167 1.00 0.00 C ATOM 592 O ARG A 41 -7.589 6.407 0.363 1.00 0.00 O ATOM 593 CB ARG A 41 -10.127 5.438 0.387 1.00 0.00 C ATOM 594 CG ARG A 41 -9.874 4.785 -0.981 1.00 0.00 C ATOM 595 CD ARG A 41 -8.805 5.564 -1.774 1.00 0.00 C ATOM 596 NE ARG A 41 -9.109 7.014 -1.543 1.00 0.00 N ATOM 597 CZ ARG A 41 -10.292 7.503 -1.797 1.00 0.00 C ATOM 598 NH1 ARG A 41 -11.151 6.817 -2.502 1.00 0.00 N ATOM 599 NH2 ARG A 41 -10.590 8.713 -1.410 1.00 0.00 N ATOM 0 H ARG A 41 -9.516 4.544 3.475 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.015 3.817 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.145 5.231 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.032 6.521 0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.549 3.754 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.803 4.753 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.802 5.314 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.848 5.319 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.379 7.628 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.899 5.895 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.074 7.204 -2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.899 9.273 -0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.514 9.098 -1.607 1.00 0.00 H new ATOM 613 N GLU A 42 -6.755 5.036 1.849 1.00 0.00 N ATOM 614 CA GLU A 42 -5.385 5.598 1.627 1.00 0.00 C ATOM 615 C GLU A 42 -4.330 4.757 2.350 1.00 0.00 C ATOM 616 O GLU A 42 -4.378 4.590 3.550 1.00 0.00 O ATOM 617 CB GLU A 42 -5.437 7.013 2.200 1.00 0.00 C ATOM 618 CG GLU A 42 -4.201 7.793 1.748 1.00 0.00 C ATOM 619 CD GLU A 42 -4.421 9.287 1.992 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.569 9.688 2.087 1.00 0.00 O ATOM 621 OE2 GLU A 42 -3.438 10.004 2.079 1.00 0.00 O ATOM 0 H GLU A 42 -6.819 4.292 2.543 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.110 5.596 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.342 7.519 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.478 6.975 3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.322 7.450 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.010 7.611 0.690 1.00 0.00 H new ATOM 628 N ALA A 43 -3.379 4.216 1.633 1.00 0.00 N ATOM 629 CA ALA A 43 -2.345 3.376 2.306 1.00 0.00 C ATOM 630 C ALA A 43 -0.962 4.038 2.281 1.00 0.00 C ATOM 631 O ALA A 43 -0.356 4.199 1.248 1.00 0.00 O ATOM 632 CB ALA A 43 -2.327 2.069 1.514 1.00 0.00 C ATOM 0 H ALA A 43 -3.274 4.318 0.624 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.581 3.227 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.590 1.392 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.313 1.605 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.066 2.276 0.476 1.00 0.00 H new ATOM 638 N VAL A 44 -0.436 4.377 3.421 1.00 0.00 N ATOM 639 CA VAL A 44 0.922 4.989 3.457 1.00 0.00 C ATOM 640 C VAL A 44 1.875 3.952 4.027 1.00 0.00 C ATOM 641 O VAL A 44 1.714 3.499 5.140 1.00 0.00 O ATOM 642 CB VAL A 44 0.788 6.213 4.370 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.123 6.507 5.064 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.377 7.425 3.531 1.00 0.00 C ATOM 0 H VAL A 44 -0.885 4.258 4.329 1.00 0.00 H new ATOM 0 HA VAL A 44 1.305 5.292 2.482 1.00 0.00 H new ATOM 0 HB VAL A 44 0.032 6.010 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.013 7.379 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.419 5.646 5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.888 6.705 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.280 8.298 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.136 7.617 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.578 7.225 3.046 1.00 0.00 H new ATOM 654 N VAL A 45 2.837 3.526 3.262 1.00 0.00 N ATOM 655 CA VAL A 45 3.735 2.462 3.787 1.00 0.00 C ATOM 656 C VAL A 45 5.207 2.712 3.472 1.00 0.00 C ATOM 657 O VAL A 45 5.563 3.362 2.510 1.00 0.00 O ATOM 658 CB VAL A 45 3.259 1.196 3.077 1.00 0.00 C ATOM 659 CG1 VAL A 45 3.968 -0.025 3.664 1.00 0.00 C ATOM 660 CG2 VAL A 45 1.748 1.048 3.264 1.00 0.00 C ATOM 0 H VAL A 45 3.039 3.857 2.319 1.00 0.00 H new ATOM 0 HA VAL A 45 3.682 2.409 4.874 1.00 0.00 H new ATOM 0 HB VAL A 45 3.492 1.269 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.625 -0.925 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.045 0.080 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.741 -0.101 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.405 0.145 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.518 0.978 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.242 1.915 2.840 1.00 0.00 H new ATOM 670 N THR A 46 6.054 2.143 4.280 1.00 0.00 N ATOM 671 CA THR A 46 7.520 2.256 4.072 1.00 0.00 C ATOM 672 C THR A 46 8.040 0.859 3.763 1.00 0.00 C ATOM 673 O THR A 46 7.386 -0.122 4.057 1.00 0.00 O ATOM 674 CB THR A 46 8.083 2.757 5.402 1.00 0.00 C ATOM 675 OG1 THR A 46 7.921 4.165 5.487 1.00 0.00 O ATOM 676 CG2 THR A 46 9.570 2.408 5.494 1.00 0.00 C ATOM 0 H THR A 46 5.784 1.592 5.095 1.00 0.00 H new ATOM 0 HA THR A 46 7.799 2.927 3.259 1.00 0.00 H new ATOM 0 HB THR A 46 7.547 2.280 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.281 4.485 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.970 2.766 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.694 1.327 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.107 2.882 4.672 1.00 0.00 H new ATOM 684 N PHE A 47 9.191 0.740 3.177 1.00 0.00 N ATOM 685 CA PHE A 47 9.693 -0.619 2.870 1.00 0.00 C ATOM 686 C PHE A 47 11.119 -0.565 2.377 1.00 0.00 C ATOM 687 O PHE A 47 11.721 0.482 2.297 1.00 0.00 O ATOM 688 CB PHE A 47 8.777 -1.131 1.760 1.00 0.00 C ATOM 689 CG PHE A 47 8.961 -0.273 0.531 1.00 0.00 C ATOM 690 CD1 PHE A 47 8.169 0.870 0.356 1.00 0.00 C ATOM 691 CD2 PHE A 47 9.920 -0.615 -0.435 1.00 0.00 C ATOM 692 CE1 PHE A 47 8.334 1.668 -0.780 1.00 0.00 C ATOM 693 CE2 PHE A 47 10.083 0.187 -1.568 1.00 0.00 C ATOM 694 CZ PHE A 47 9.290 1.325 -1.741 1.00 0.00 C ATOM 0 H PHE A 47 9.798 1.512 2.901 1.00 0.00 H new ATOM 0 HA PHE A 47 9.687 -1.262 3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.010 -2.171 1.531 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.738 -1.101 2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.431 1.134 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.531 -1.496 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.724 2.549 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.823 -0.073 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.416 1.941 -2.619 1.00 0.00 H new ATOM 704 N ASP A 48 11.642 -1.693 2.010 1.00 0.00 N ATOM 705 CA ASP A 48 13.021 -1.735 1.480 1.00 0.00 C ATOM 706 C ASP A 48 12.930 -1.967 -0.022 1.00 0.00 C ATOM 707 O ASP A 48 12.449 -2.986 -0.475 1.00 0.00 O ATOM 708 CB ASP A 48 13.692 -2.918 2.179 1.00 0.00 C ATOM 709 CG ASP A 48 13.776 -2.645 3.683 1.00 0.00 C ATOM 710 OD1 ASP A 48 12.781 -2.215 4.243 1.00 0.00 O ATOM 711 OD2 ASP A 48 14.833 -2.872 4.249 1.00 0.00 O ATOM 0 H ASP A 48 11.168 -2.595 2.055 1.00 0.00 H new ATOM 0 HA ASP A 48 13.586 -0.819 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.125 -3.831 1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.691 -3.076 1.771 1.00 0.00 H new ATOM 716 N ASP A 49 13.348 -1.013 -0.798 1.00 0.00 N ATOM 717 CA ASP A 49 13.241 -1.166 -2.274 1.00 0.00 C ATOM 718 C ASP A 49 14.091 -2.349 -2.757 1.00 0.00 C ATOM 719 O ASP A 49 14.006 -2.755 -3.899 1.00 0.00 O ATOM 720 CB ASP A 49 13.721 0.178 -2.846 1.00 0.00 C ATOM 721 CG ASP A 49 14.461 -0.029 -4.172 1.00 0.00 C ATOM 722 OD1 ASP A 49 13.889 -0.643 -5.057 1.00 0.00 O ATOM 723 OD2 ASP A 49 15.585 0.434 -4.278 1.00 0.00 O ATOM 0 H ASP A 49 13.758 -0.136 -0.478 1.00 0.00 H new ATOM 0 HA ASP A 49 12.226 -1.389 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.868 0.839 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.379 0.669 -2.130 1.00 0.00 H new ATOM 728 N THR A 50 14.895 -2.915 -1.901 1.00 0.00 N ATOM 729 CA THR A 50 15.722 -4.079 -2.325 1.00 0.00 C ATOM 730 C THR A 50 14.813 -5.279 -2.606 1.00 0.00 C ATOM 731 O THR A 50 15.137 -6.149 -3.389 1.00 0.00 O ATOM 732 CB THR A 50 16.642 -4.368 -1.138 1.00 0.00 C ATOM 733 OG1 THR A 50 17.681 -5.245 -1.550 1.00 0.00 O ATOM 734 CG2 THR A 50 15.836 -5.020 -0.011 1.00 0.00 C ATOM 0 H THR A 50 15.015 -2.624 -0.931 1.00 0.00 H new ATOM 0 HA THR A 50 16.289 -3.881 -3.234 1.00 0.00 H new ATOM 0 HB THR A 50 17.075 -3.435 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 50 18.273 -5.430 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 50 16.493 -5.225 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.040 -4.346 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.401 -5.954 -0.368 1.00 0.00 H new ATOM 742 N LYS A 51 13.675 -5.326 -1.968 1.00 0.00 N ATOM 743 CA LYS A 51 12.736 -6.463 -2.191 1.00 0.00 C ATOM 744 C LYS A 51 11.333 -5.935 -2.506 1.00 0.00 C ATOM 745 O LYS A 51 10.411 -6.692 -2.741 1.00 0.00 O ATOM 746 CB LYS A 51 12.738 -7.242 -0.875 1.00 0.00 C ATOM 747 CG LYS A 51 13.690 -8.434 -0.992 1.00 0.00 C ATOM 748 CD LYS A 51 13.876 -9.077 0.383 1.00 0.00 C ATOM 749 CE LYS A 51 12.672 -9.968 0.698 1.00 0.00 C ATOM 750 NZ LYS A 51 12.164 -9.477 2.009 1.00 0.00 N ATOM 0 H LYS A 51 13.354 -4.625 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 51 13.034 -7.088 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.049 -6.593 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.731 -7.588 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.290 -9.164 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.653 -8.107 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.792 -9.667 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.980 -8.305 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.909 -9.889 -0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.961 -11.017 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.337 -10.039 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.910 -9.571 2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.890 -8.477 1.923 1.00 0.00 H new ATOM 764 N ALA A 52 11.165 -4.642 -2.515 1.00 0.00 N ATOM 765 CA ALA A 52 9.824 -4.064 -2.816 1.00 0.00 C ATOM 766 C ALA A 52 9.979 -2.717 -3.522 1.00 0.00 C ATOM 767 O ALA A 52 11.055 -2.349 -3.950 1.00 0.00 O ATOM 768 CB ALA A 52 9.154 -3.879 -1.455 1.00 0.00 C ATOM 0 H ALA A 52 11.899 -3.959 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 52 9.237 -4.705 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.159 -3.456 -1.594 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.071 -4.844 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.753 -3.204 -0.843 1.00 0.00 H new ATOM 774 N SER A 53 8.910 -1.982 -3.652 1.00 0.00 N ATOM 775 CA SER A 53 8.991 -0.661 -4.332 1.00 0.00 C ATOM 776 C SER A 53 7.610 -0.012 -4.357 1.00 0.00 C ATOM 777 O SER A 53 6.604 -0.684 -4.285 1.00 0.00 O ATOM 778 CB SER A 53 9.460 -0.974 -5.754 1.00 0.00 C ATOM 779 OG SER A 53 9.312 -2.365 -6.007 1.00 0.00 O ATOM 0 H SER A 53 7.982 -2.240 -3.316 1.00 0.00 H new ATOM 0 HA SER A 53 9.666 0.029 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.879 -0.399 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.502 -0.680 -5.877 1.00 0.00 H new ATOM 0 HG SER A 53 9.611 -2.565 -6.918 1.00 0.00 H new ATOM 785 N VAL A 54 7.548 1.283 -4.463 1.00 0.00 N ATOM 786 CA VAL A 54 6.229 1.957 -4.504 1.00 0.00 C ATOM 787 C VAL A 54 5.301 1.196 -5.449 1.00 0.00 C ATOM 788 O VAL A 54 4.131 1.014 -5.176 1.00 0.00 O ATOM 789 CB VAL A 54 6.527 3.354 -5.040 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.664 3.987 -4.234 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.935 3.260 -6.512 1.00 0.00 C ATOM 0 H VAL A 54 8.356 1.903 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 54 5.736 1.996 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 54 5.634 3.972 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.873 4.984 -4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.372 4.058 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.558 3.370 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.148 4.258 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.826 2.638 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.122 2.816 -7.087 1.00 0.00 H new ATOM 801 N GLN A 55 5.820 0.733 -6.553 1.00 0.00 N ATOM 802 CA GLN A 55 4.973 -0.036 -7.502 1.00 0.00 C ATOM 803 C GLN A 55 4.487 -1.313 -6.817 1.00 0.00 C ATOM 804 O GLN A 55 3.335 -1.686 -6.916 1.00 0.00 O ATOM 805 CB GLN A 55 5.890 -0.369 -8.680 1.00 0.00 C ATOM 806 CG GLN A 55 5.172 -0.054 -9.993 1.00 0.00 C ATOM 807 CD GLN A 55 5.884 1.100 -10.701 1.00 0.00 C ATOM 808 OE1 GLN A 55 6.032 1.090 -11.908 1.00 0.00 O ATOM 809 NE2 GLN A 55 6.335 2.103 -9.998 1.00 0.00 N ATOM 0 H GLN A 55 6.792 0.855 -6.837 1.00 0.00 H new ATOM 0 HA GLN A 55 4.093 0.518 -7.829 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.812 0.208 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.170 -1.422 -8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.160 -0.936 -10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.133 0.211 -9.797 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.211 2.113 -8.986 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.811 2.877 -10.461 1.00 0.00 H new ATOM 818 N LYS A 56 5.363 -1.984 -6.117 1.00 0.00 N ATOM 819 CA LYS A 56 4.965 -3.236 -5.415 1.00 0.00 C ATOM 820 C LYS A 56 3.946 -2.938 -4.310 1.00 0.00 C ATOM 821 O LYS A 56 3.163 -3.790 -3.941 1.00 0.00 O ATOM 822 CB LYS A 56 6.260 -3.782 -4.814 1.00 0.00 C ATOM 823 CG LYS A 56 6.401 -5.264 -5.166 1.00 0.00 C ATOM 824 CD LYS A 56 7.796 -5.519 -5.742 1.00 0.00 C ATOM 825 CE LYS A 56 7.785 -6.812 -6.560 1.00 0.00 C ATOM 826 NZ LYS A 56 9.212 -7.052 -6.914 1.00 0.00 N ATOM 0 H LYS A 56 6.341 -1.716 -6.002 1.00 0.00 H new ATOM 0 HA LYS A 56 4.492 -3.949 -6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.115 -3.224 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.254 -3.653 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.245 -5.877 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.638 -5.551 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.100 -4.682 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.526 -5.593 -4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.376 -7.641 -5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.168 -6.710 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.288 -7.923 -7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.572 -6.249 -7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.773 -7.152 -6.044 1.00 0.00 H new ATOM 840 N LEU A 57 3.933 -1.740 -3.782 1.00 0.00 N ATOM 841 CA LEU A 57 2.941 -1.424 -2.715 1.00 0.00 C ATOM 842 C LEU A 57 1.548 -1.384 -3.338 1.00 0.00 C ATOM 843 O LEU A 57 0.651 -2.099 -2.936 1.00 0.00 O ATOM 844 CB LEU A 57 3.325 -0.044 -2.182 1.00 0.00 C ATOM 845 CG LEU A 57 4.800 -0.021 -1.769 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.169 1.402 -1.362 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.027 -0.961 -0.581 1.00 0.00 C ATOM 0 H LEU A 57 4.559 -0.977 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 57 2.937 -2.164 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.143 0.711 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.698 0.210 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 57 5.419 -0.350 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.217 1.435 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.009 2.074 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.545 1.715 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.078 -0.938 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.414 -0.638 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.750 -1.977 -0.863 1.00 0.00 H new ATOM 859 N THR A 58 1.371 -0.566 -4.338 1.00 0.00 N ATOM 860 CA THR A 58 0.051 -0.494 -5.015 1.00 0.00 C ATOM 861 C THR A 58 -0.222 -1.836 -5.680 1.00 0.00 C ATOM 862 O THR A 58 -1.348 -2.190 -5.956 1.00 0.00 O ATOM 863 CB THR A 58 0.191 0.607 -6.067 1.00 0.00 C ATOM 864 OG1 THR A 58 0.104 1.875 -5.436 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.928 0.472 -7.102 1.00 0.00 C ATOM 0 H THR A 58 2.086 0.056 -4.715 1.00 0.00 H new ATOM 0 HA THR A 58 -0.769 -0.279 -4.330 1.00 0.00 H new ATOM 0 HB THR A 58 1.156 0.514 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.738 2.309 -5.688 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.827 1.257 -7.851 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.860 -0.502 -7.586 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.895 0.565 -6.607 1.00 0.00 H new ATOM 873 N LYS A 59 0.814 -2.591 -5.929 1.00 0.00 N ATOM 874 CA LYS A 59 0.629 -3.920 -6.558 1.00 0.00 C ATOM 875 C LYS A 59 0.232 -4.928 -5.484 1.00 0.00 C ATOM 876 O LYS A 59 -0.392 -5.932 -5.762 1.00 0.00 O ATOM 877 CB LYS A 59 1.984 -4.267 -7.166 1.00 0.00 C ATOM 878 CG LYS A 59 2.034 -3.740 -8.599 1.00 0.00 C ATOM 879 CD LYS A 59 3.386 -4.079 -9.225 1.00 0.00 C ATOM 880 CE LYS A 59 3.239 -4.110 -10.745 1.00 0.00 C ATOM 881 NZ LYS A 59 3.393 -2.692 -11.176 1.00 0.00 N ATOM 0 H LYS A 59 1.781 -2.340 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.154 -3.929 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.786 -3.826 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.136 -5.346 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.229 -4.181 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.880 -2.661 -8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.131 -3.339 -8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.737 -5.045 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.997 -4.746 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.268 -4.509 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.599 -2.429 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.401 -2.074 -10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.287 -2.582 -11.696 1.00 0.00 H new ATOM 895 N ALA A 60 0.573 -4.659 -4.250 1.00 0.00 N ATOM 896 CA ALA A 60 0.189 -5.597 -3.160 1.00 0.00 C ATOM 897 C ALA A 60 -1.308 -5.462 -2.895 1.00 0.00 C ATOM 898 O ALA A 60 -2.019 -6.442 -2.782 1.00 0.00 O ATOM 899 CB ALA A 60 1.006 -5.165 -1.943 1.00 0.00 C ATOM 0 H ALA A 60 1.097 -3.836 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 60 0.385 -6.640 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.773 -5.815 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.069 -5.237 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.760 -4.135 -1.686 1.00 0.00 H new ATOM 905 N THR A 61 -1.803 -4.256 -2.837 1.00 0.00 N ATOM 906 CA THR A 61 -3.264 -4.075 -2.628 1.00 0.00 C ATOM 907 C THR A 61 -3.953 -4.393 -3.942 1.00 0.00 C ATOM 908 O THR A 61 -5.021 -4.973 -3.985 1.00 0.00 O ATOM 909 CB THR A 61 -3.443 -2.609 -2.263 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.804 -2.367 -1.933 1.00 0.00 O ATOM 911 CG2 THR A 61 -3.035 -1.731 -3.446 1.00 0.00 C ATOM 0 H THR A 61 -1.263 -3.395 -2.925 1.00 0.00 H new ATOM 0 HA THR A 61 -3.680 -4.716 -1.851 1.00 0.00 H new ATOM 0 HB THR A 61 -2.814 -2.369 -1.406 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.081 -1.503 -2.302 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.164 -0.681 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.990 -1.917 -3.694 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.660 -1.968 -4.307 1.00 0.00 H new ATOM 919 N ALA A 62 -3.313 -4.049 -5.024 1.00 0.00 N ATOM 920 CA ALA A 62 -3.891 -4.366 -6.348 1.00 0.00 C ATOM 921 C ALA A 62 -3.991 -5.881 -6.448 1.00 0.00 C ATOM 922 O ALA A 62 -4.872 -6.423 -7.086 1.00 0.00 O ATOM 923 CB ALA A 62 -2.897 -3.818 -7.371 1.00 0.00 C ATOM 0 H ALA A 62 -2.416 -3.563 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.880 -3.937 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.263 -4.019 -8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.788 -2.742 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.930 -4.301 -7.234 1.00 0.00 H new ATOM 929 N ASP A 63 -3.099 -6.570 -5.782 1.00 0.00 N ATOM 930 CA ASP A 63 -3.151 -8.051 -5.795 1.00 0.00 C ATOM 931 C ASP A 63 -4.227 -8.496 -4.813 1.00 0.00 C ATOM 932 O ASP A 63 -4.797 -9.562 -4.933 1.00 0.00 O ATOM 933 CB ASP A 63 -1.765 -8.513 -5.341 1.00 0.00 C ATOM 934 CG ASP A 63 -1.606 -10.007 -5.629 1.00 0.00 C ATOM 935 OD1 ASP A 63 -2.611 -10.697 -5.646 1.00 0.00 O ATOM 936 OD2 ASP A 63 -0.481 -10.436 -5.827 1.00 0.00 O ATOM 0 H ASP A 63 -2.341 -6.166 -5.233 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.392 -8.468 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.993 -7.947 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.637 -8.321 -4.276 1.00 0.00 H new ATOM 941 N ALA A 64 -4.532 -7.661 -3.853 1.00 0.00 N ATOM 942 CA ALA A 64 -5.594 -8.011 -2.881 1.00 0.00 C ATOM 943 C ALA A 64 -6.951 -7.799 -3.546 1.00 0.00 C ATOM 944 O ALA A 64 -7.975 -8.229 -3.054 1.00 0.00 O ATOM 945 CB ALA A 64 -5.406 -7.042 -1.713 1.00 0.00 C ATOM 0 H ALA A 64 -4.088 -6.754 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.543 -9.046 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.159 -7.241 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.412 -7.176 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.512 -6.017 -2.070 1.00 0.00 H new ATOM 951 N GLY A 65 -6.958 -7.128 -4.667 1.00 0.00 N ATOM 952 CA GLY A 65 -8.239 -6.871 -5.375 1.00 0.00 C ATOM 953 C GLY A 65 -8.591 -5.405 -5.218 1.00 0.00 C ATOM 954 O GLY A 65 -9.745 -5.035 -5.143 1.00 0.00 O ATOM 0 H GLY A 65 -6.128 -6.747 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.146 -7.127 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.031 -7.497 -4.964 1.00 0.00 H new ATOM 958 N TYR A 66 -7.598 -4.564 -5.162 1.00 0.00 N ATOM 959 CA TYR A 66 -7.863 -3.118 -4.991 1.00 0.00 C ATOM 960 C TYR A 66 -6.956 -2.300 -5.914 1.00 0.00 C ATOM 961 O TYR A 66 -5.911 -1.839 -5.500 1.00 0.00 O ATOM 962 CB TYR A 66 -7.538 -2.857 -3.519 1.00 0.00 C ATOM 963 CG TYR A 66 -8.462 -3.692 -2.663 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.825 -3.742 -2.972 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.966 -4.417 -1.565 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.695 -4.511 -2.193 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.839 -5.187 -0.788 1.00 0.00 C ATOM 968 CZ TYR A 66 -10.202 -5.234 -1.101 1.00 0.00 C ATOM 969 OH TYR A 66 -11.061 -5.990 -0.330 1.00 0.00 O ATOM 0 H TYR A 66 -6.613 -4.821 -5.228 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.885 -2.835 -5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.498 -3.110 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.661 -1.799 -3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.207 -3.185 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.914 -4.380 -1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.747 -4.547 -2.434 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.460 -5.746 0.055 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.557 -6.429 0.387 1.00 0.00 H new ATOM 979 N PRO A 67 -7.387 -2.137 -7.143 1.00 0.00 N ATOM 980 CA PRO A 67 -6.597 -1.359 -8.120 1.00 0.00 C ATOM 981 C PRO A 67 -6.319 0.030 -7.550 1.00 0.00 C ATOM 982 O PRO A 67 -7.155 0.910 -7.590 1.00 0.00 O ATOM 983 CB PRO A 67 -7.528 -1.300 -9.336 1.00 0.00 C ATOM 984 CG PRO A 67 -8.787 -2.138 -9.034 1.00 0.00 C ATOM 985 CD PRO A 67 -8.672 -2.706 -7.612 1.00 0.00 C ATOM 0 HA PRO A 67 -5.624 -1.786 -8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.804 -0.268 -9.551 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.020 -1.686 -10.220 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.681 -1.521 -9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.884 -2.948 -9.757 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.507 -2.397 -6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.658 -3.796 -7.610 1.00 0.00 H new ATOM 993 N SER A 68 -5.161 0.219 -6.983 1.00 0.00 N ATOM 994 CA SER A 68 -4.845 1.543 -6.368 1.00 0.00 C ATOM 995 C SER A 68 -3.820 2.331 -7.190 1.00 0.00 C ATOM 996 O SER A 68 -3.452 1.957 -8.286 1.00 0.00 O ATOM 997 CB SER A 68 -4.264 1.197 -4.999 1.00 0.00 C ATOM 998 OG SER A 68 -4.158 2.380 -4.219 1.00 0.00 O ATOM 0 H SER A 68 -4.421 -0.480 -6.917 1.00 0.00 H new ATOM 0 HA SER A 68 -5.731 2.176 -6.313 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.901 0.471 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.284 0.735 -5.114 1.00 0.00 H new ATOM 0 HG SER A 68 -3.257 2.441 -3.839 1.00 0.00 H new ATOM 1004 N SER A 69 -3.362 3.430 -6.646 1.00 0.00 N ATOM 1005 CA SER A 69 -2.360 4.280 -7.349 1.00 0.00 C ATOM 1006 C SER A 69 -1.479 4.945 -6.295 1.00 0.00 C ATOM 1007 O SER A 69 -1.960 5.639 -5.426 1.00 0.00 O ATOM 1008 CB SER A 69 -3.181 5.324 -8.107 1.00 0.00 C ATOM 1009 OG SER A 69 -3.119 5.049 -9.501 1.00 0.00 O ATOM 0 H SER A 69 -3.646 3.777 -5.730 1.00 0.00 H new ATOM 0 HA SER A 69 -1.716 3.722 -8.028 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.216 5.306 -7.767 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.796 6.323 -7.904 1.00 0.00 H new ATOM 0 HG SER A 69 -3.646 5.715 -9.990 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.201 4.730 -6.342 1.00 0.00 N ATOM 1016 CA VAL A 70 0.676 5.329 -5.313 1.00 0.00 C ATOM 1017 C VAL A 70 1.212 6.666 -5.783 1.00 0.00 C ATOM 1018 O VAL A 70 1.275 6.941 -6.965 1.00 0.00 O ATOM 1019 CB VAL A 70 1.798 4.314 -5.143 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.485 4.085 -6.490 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.819 4.840 -4.132 1.00 0.00 C ATOM 0 H VAL A 70 0.273 4.166 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 70 0.155 5.527 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 70 1.383 3.373 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.289 3.358 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.759 3.707 -7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.898 5.026 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.621 4.112 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.235 5.782 -4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.330 5.002 -3.172 1.00 0.00 H new ATOM 1031 N LYS A 71 1.597 7.508 -4.872 1.00 0.00 N ATOM 1032 CA LYS A 71 2.118 8.826 -5.307 1.00 0.00 C ATOM 1033 C LYS A 71 3.062 9.411 -4.257 1.00 0.00 C ATOM 1034 O LYS A 71 2.979 10.576 -3.926 1.00 0.00 O ATOM 1035 CB LYS A 71 0.881 9.704 -5.464 1.00 0.00 C ATOM 1036 CG LYS A 71 0.063 9.645 -4.175 1.00 0.00 C ATOM 1037 CD LYS A 71 -0.124 11.057 -3.620 1.00 0.00 C ATOM 1038 CE LYS A 71 -1.425 11.653 -4.164 1.00 0.00 C ATOM 1039 NZ LYS A 71 -1.698 12.833 -3.298 1.00 0.00 N ATOM 0 H LYS A 71 1.575 7.346 -3.865 1.00 0.00 H new ATOM 0 HA LYS A 71 2.692 8.753 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.174 10.732 -5.678 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.281 9.362 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.908 9.188 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.569 9.019 -3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.152 11.030 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.721 11.685 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.319 11.946 -5.209 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.240 10.931 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.576 13.296 -3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.801 12.523 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.908 13.506 -3.369 1.00 0.00 H new ATOM 1053 N GLN A 72 3.953 8.599 -3.751 1.00 0.00 N ATOM 1054 CA GLN A 72 4.943 9.052 -2.713 1.00 0.00 C ATOM 1055 C GLN A 72 4.471 10.319 -1.989 1.00 0.00 C ATOM 1056 O GLN A 72 3.328 10.344 -1.564 1.00 0.00 O ATOM 1057 CB GLN A 72 6.246 9.323 -3.476 1.00 0.00 C ATOM 1058 CG GLN A 72 5.966 10.132 -4.747 1.00 0.00 C ATOM 1059 CD GLN A 72 5.702 11.594 -4.380 1.00 0.00 C ATOM 1060 OE1 GLN A 72 6.663 12.306 -3.856 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 4.614 12.096 -4.576 1.00 0.00 N flip ATOM 1062 OXT GLN A 72 5.263 11.240 -1.872 1.00 0.00 O ATOM 0 H GLN A 72 4.042 7.618 -4.016 1.00 0.00 H new ATOM 0 HA GLN A 72 5.069 8.294 -1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 72 6.942 9.867 -2.837 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.725 8.379 -3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 72 6.816 10.065 -5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 72 5.105 9.717 -5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.862 11.541 -4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.452 13.073 -4.331 1.00 0.00 H new TER 1071 GLN A 72 HETATM 1072 HG HG A 73 -15.262 -2.995 2.571 1.00 0.00 HG