USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= -0.082 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.395 USER MOD Single : A 19 ASN : amide:sc= -0.506 K(o=-0.51,f=-2.1!) USER MOD Single : A 21 THR OG1 : rot -84:sc= 0.465 USER MOD Single : A 22 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.4) USER MOD Single : A 23 ASN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -5.66! C(o=-14!,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.49) USER MOD Single : A 32 SER OG : rot -177:sc= -0.614 USER MOD Single : A 33 MET CE :methyl 177:sc= 0 (180deg=-0.0163) USER MOD Single : A 36 SER OG : rot -86:sc= 0.087 USER MOD Single : A 38 ASN : amide:sc= -0.0988 K(o=-0.099,f=-2.7!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.457 USER MOD Single : A 43 MET CE :methyl 154:sc= -0.0593 (180deg=-1.64) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 50 SER OG : rot -42:sc= 0.699 USER MOD Single : A 53 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 56:sc= 0.0974 USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.122) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.8!) USER MOD Single : A 66 MET CE :methyl 154:sc= -1.53 (180deg=-2.77!) USER MOD Single : A 68 SER OG : rot 69:sc= 0.623 USER MOD Single : A 73 HIS : no HE2:sc= -3.92! C(o=-3.9!,f=-4.4!) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.0918 (180deg=-0.735) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0265 K(o=-0.027,f=-1.5!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -41:sc= 0.252 USER MOD Single : A 84 HIS : no HD1:sc= -2.92! C(o=-2.9!,f=-4.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -121:sc= -1.27! (180deg=-3.22!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -2.25 X(o=-2.2,f=-2.1) USER MOD Single : A 104 LYS NZ :NH3+ -110:sc= -1.25 (180deg=-3.16!) USER MOD Single : A 105 LYS NZ :NH3+ 168:sc=-0.00981 (180deg=-0.191) USER MOD Single : A 113 ASN : amide:sc= -0.191 K(o=-0.19,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.320 5.175 3.940 1.00 0.00 N ATOM 58 CA PRO A 5 17.112 5.935 2.672 1.00 0.00 C ATOM 59 C PRO A 5 15.888 5.424 1.882 1.00 0.00 C ATOM 60 O PRO A 5 15.365 4.364 2.164 1.00 0.00 O ATOM 61 CB PRO A 5 18.427 5.680 1.905 1.00 0.00 C ATOM 62 CG PRO A 5 19.198 4.566 2.635 1.00 0.00 C ATOM 63 CD PRO A 5 18.601 4.414 4.042 1.00 0.00 C ATOM 0 HA PRO A 5 16.903 6.992 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.217 5.386 0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.025 6.591 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.121 3.628 2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.258 4.814 2.696 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.431 3.368 4.299 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.258 4.828 4.807 1.00 0.00 H new ATOM 71 N PRO A 6 15.430 6.177 0.904 1.00 0.00 N ATOM 72 CA PRO A 6 14.245 5.762 0.095 1.00 0.00 C ATOM 73 C PRO A 6 14.426 4.396 -0.588 1.00 0.00 C ATOM 74 O PRO A 6 13.568 3.539 -0.519 1.00 0.00 O ATOM 75 CB PRO A 6 14.135 6.897 -0.949 1.00 0.00 C ATOM 76 CG PRO A 6 15.330 7.854 -0.764 1.00 0.00 C ATOM 77 CD PRO A 6 16.053 7.482 0.540 1.00 0.00 C ATOM 0 HA PRO A 6 13.353 5.631 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.134 6.484 -1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.196 7.436 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.012 7.777 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 6 14.986 8.887 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.129 7.389 0.393 1.00 0.00 H new ATOM 0 HD3 PRO A 6 15.901 8.233 1.315 1.00 0.00 H new ATOM 85 N SER A 7 15.522 4.200 -1.265 1.00 0.00 N ATOM 86 CA SER A 7 15.737 2.904 -1.971 1.00 0.00 C ATOM 87 C SER A 7 15.771 1.750 -0.966 1.00 0.00 C ATOM 88 O SER A 7 15.238 0.687 -1.214 1.00 0.00 O ATOM 89 CB SER A 7 17.065 2.954 -2.727 1.00 0.00 C ATOM 90 OG SER A 7 18.136 3.021 -1.794 1.00 0.00 O ATOM 0 H SER A 7 16.278 4.879 -1.361 1.00 0.00 H new ATOM 0 HA SER A 7 14.916 2.742 -2.670 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.171 2.071 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.088 3.821 -3.387 1.00 0.00 H new ATOM 0 HG SER A 7 18.989 3.051 -2.276 1.00 0.00 H new ATOM 96 N THR A 8 16.389 1.943 0.166 1.00 0.00 N ATOM 97 CA THR A 8 16.443 0.840 1.170 1.00 0.00 C ATOM 98 C THR A 8 15.054 0.614 1.767 1.00 0.00 C ATOM 99 O THR A 8 14.631 -0.505 1.968 1.00 0.00 O ATOM 100 CB THR A 8 17.429 1.199 2.284 1.00 0.00 C ATOM 101 OG1 THR A 8 18.724 1.371 1.727 1.00 0.00 O ATOM 102 CG2 THR A 8 17.464 0.079 3.326 1.00 0.00 C ATOM 0 H THR A 8 16.856 2.808 0.439 1.00 0.00 H new ATOM 0 HA THR A 8 16.775 -0.073 0.677 1.00 0.00 H new ATOM 0 HB THR A 8 17.111 2.124 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.383 1.444 2.448 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.167 0.340 4.117 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.470 -0.052 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 8 17.780 -0.850 2.851 1.00 0.00 H new ATOM 110 N ALA A 9 14.338 1.665 2.047 1.00 0.00 N ATOM 111 CA ALA A 9 12.978 1.501 2.627 1.00 0.00 C ATOM 112 C ALA A 9 12.095 0.745 1.633 1.00 0.00 C ATOM 113 O ALA A 9 11.328 -0.122 2.000 1.00 0.00 O ATOM 114 CB ALA A 9 12.378 2.879 2.904 1.00 0.00 C ATOM 0 H ALA A 9 14.635 2.630 1.900 1.00 0.00 H new ATOM 0 HA ALA A 9 13.038 0.939 3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.381 2.763 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.012 3.417 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.312 3.441 1.972 1.00 0.00 H new ATOM 120 N LEU A 10 12.200 1.068 0.374 1.00 0.00 N ATOM 121 CA LEU A 10 11.371 0.371 -0.646 1.00 0.00 C ATOM 122 C LEU A 10 11.713 -1.122 -0.638 1.00 0.00 C ATOM 123 O LEU A 10 10.842 -1.969 -0.593 1.00 0.00 O ATOM 124 CB LEU A 10 11.677 0.954 -2.032 1.00 0.00 C ATOM 125 CG LEU A 10 10.781 0.300 -3.103 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.347 0.839 -3.003 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.344 0.615 -4.490 1.00 0.00 C ATOM 0 H LEU A 10 12.825 1.786 0.008 1.00 0.00 H new ATOM 0 HA LEU A 10 10.314 0.507 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.516 2.032 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.726 0.791 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 10 10.764 -0.778 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.727 0.368 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.942 0.614 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.352 1.918 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.714 0.155 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.363 1.695 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.357 0.220 -4.570 1.00 0.00 H new ATOM 139 N ARG A 11 12.976 -1.450 -0.697 1.00 0.00 N ATOM 140 CA ARG A 11 13.372 -2.886 -0.711 1.00 0.00 C ATOM 141 C ARG A 11 12.870 -3.558 0.566 1.00 0.00 C ATOM 142 O ARG A 11 12.342 -4.651 0.537 1.00 0.00 O ATOM 143 CB ARG A 11 14.896 -2.985 -0.791 1.00 0.00 C ATOM 144 CG ARG A 11 15.355 -2.531 -2.179 1.00 0.00 C ATOM 145 CD ARG A 11 16.878 -2.623 -2.277 1.00 0.00 C ATOM 146 NE ARG A 11 17.494 -1.711 -1.273 1.00 0.00 N ATOM 147 CZ ARG A 11 18.754 -1.839 -0.963 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.469 -2.776 -1.522 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.300 -1.032 -0.095 1.00 0.00 N ATOM 0 H ARG A 11 13.749 -0.786 -0.736 1.00 0.00 H new ATOM 0 HA ARG A 11 12.934 -3.386 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.354 -2.364 -0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.217 -4.010 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.894 -3.153 -2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.031 -1.507 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.204 -3.648 -2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.206 -2.352 -3.281 1.00 0.00 H new ATOM 0 HE ARG A 11 16.930 -0.987 -0.828 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.042 -3.407 -2.200 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.455 -2.878 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.741 -0.299 0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.286 -1.134 0.146 1.00 0.00 H new ATOM 163 N GLU A 12 13.003 -2.902 1.682 1.00 0.00 N ATOM 164 CA GLU A 12 12.504 -3.492 2.952 1.00 0.00 C ATOM 165 C GLU A 12 10.984 -3.636 2.851 1.00 0.00 C ATOM 166 O GLU A 12 10.398 -4.583 3.338 1.00 0.00 O ATOM 167 CB GLU A 12 12.866 -2.570 4.120 1.00 0.00 C ATOM 168 CG GLU A 12 14.379 -2.609 4.350 1.00 0.00 C ATOM 169 CD GLU A 12 14.745 -1.670 5.500 1.00 0.00 C ATOM 170 OE1 GLU A 12 13.881 -0.918 5.922 1.00 0.00 O ATOM 171 OE2 GLU A 12 15.884 -1.713 5.935 1.00 0.00 O ATOM 0 H GLU A 12 13.436 -1.983 1.770 1.00 0.00 H new ATOM 0 HA GLU A 12 12.958 -4.468 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.546 -1.550 3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.342 -2.885 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.696 -3.626 4.582 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.903 -2.311 3.442 1.00 0.00 H new ATOM 178 N LEU A 13 10.346 -2.686 2.219 1.00 0.00 N ATOM 179 CA LEU A 13 8.863 -2.728 2.070 1.00 0.00 C ATOM 180 C LEU A 13 8.456 -3.847 1.099 1.00 0.00 C ATOM 181 O LEU A 13 7.623 -4.674 1.409 1.00 0.00 O ATOM 182 CB LEU A 13 8.396 -1.371 1.519 1.00 0.00 C ATOM 183 CG LEU A 13 6.877 -1.360 1.290 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.140 -1.619 2.609 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.469 0.012 0.743 1.00 0.00 C ATOM 0 H LEU A 13 10.795 -1.874 1.795 1.00 0.00 H new ATOM 0 HA LEU A 13 8.401 -2.926 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.667 -0.579 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.910 -1.160 0.581 1.00 0.00 H new ATOM 0 HG LEU A 13 6.614 -2.143 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.064 -1.609 2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.434 -2.591 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.397 -0.842 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.392 0.032 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.739 0.785 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.985 0.196 -0.199 1.00 0.00 H new ATOM 197 N ILE A 14 9.024 -3.868 -0.078 1.00 0.00 N ATOM 198 CA ILE A 14 8.653 -4.922 -1.071 1.00 0.00 C ATOM 199 C ILE A 14 8.955 -6.316 -0.511 1.00 0.00 C ATOM 200 O ILE A 14 8.135 -7.211 -0.580 1.00 0.00 O ATOM 201 CB ILE A 14 9.450 -4.705 -2.365 1.00 0.00 C ATOM 202 CG1 ILE A 14 8.967 -3.419 -3.046 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.241 -5.896 -3.311 1.00 0.00 C ATOM 204 CD1 ILE A 14 9.914 -3.056 -4.192 1.00 0.00 C ATOM 0 H ILE A 14 9.728 -3.202 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 14 7.585 -4.852 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 14 10.510 -4.619 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.955 -3.556 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.928 -2.605 -2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.809 -5.737 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.584 -6.810 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.182 -5.988 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.568 -2.142 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 14 10.919 -2.901 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 14 9.931 -3.866 -4.921 1.00 0.00 H new ATOM 216 N GLU A 15 10.126 -6.519 0.023 1.00 0.00 N ATOM 217 CA GLU A 15 10.470 -7.866 0.558 1.00 0.00 C ATOM 218 C GLU A 15 9.491 -8.256 1.671 1.00 0.00 C ATOM 219 O GLU A 15 9.077 -9.394 1.770 1.00 0.00 O ATOM 220 CB GLU A 15 11.898 -7.844 1.109 1.00 0.00 C ATOM 221 CG GLU A 15 12.887 -7.723 -0.054 1.00 0.00 C ATOM 222 CD GLU A 15 14.316 -7.701 0.489 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.469 -7.589 1.694 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.234 -7.796 -0.309 1.00 0.00 O ATOM 0 H GLU A 15 10.858 -5.814 0.112 1.00 0.00 H new ATOM 0 HA GLU A 15 10.400 -8.600 -0.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.022 -7.007 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.095 -8.754 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.761 -8.560 -0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.688 -6.813 -0.621 1.00 0.00 H new ATOM 231 N GLU A 16 9.124 -7.331 2.512 1.00 0.00 N ATOM 232 CA GLU A 16 8.179 -7.665 3.617 1.00 0.00 C ATOM 233 C GLU A 16 6.774 -7.940 3.058 1.00 0.00 C ATOM 234 O GLU A 16 6.106 -8.873 3.465 1.00 0.00 O ATOM 235 CB GLU A 16 8.120 -6.487 4.591 1.00 0.00 C ATOM 236 CG GLU A 16 7.256 -6.860 5.797 1.00 0.00 C ATOM 237 CD GLU A 16 7.367 -5.769 6.863 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.129 -4.840 6.656 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.689 -5.883 7.871 1.00 0.00 O ATOM 0 H GLU A 16 9.435 -6.360 2.484 1.00 0.00 H new ATOM 0 HA GLU A 16 8.530 -8.560 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.125 -6.223 4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.707 -5.610 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.217 -6.979 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.579 -7.817 6.207 1.00 0.00 H new ATOM 246 N LEU A 17 6.315 -7.132 2.137 1.00 0.00 N ATOM 247 CA LEU A 17 4.949 -7.346 1.567 1.00 0.00 C ATOM 248 C LEU A 17 4.875 -8.701 0.861 1.00 0.00 C ATOM 249 O LEU A 17 3.888 -9.404 0.948 1.00 0.00 O ATOM 250 CB LEU A 17 4.638 -6.245 0.546 1.00 0.00 C ATOM 251 CG LEU A 17 4.450 -4.894 1.250 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.375 -3.790 0.189 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.155 -4.894 2.089 1.00 0.00 C ATOM 0 H LEU A 17 6.825 -6.335 1.755 1.00 0.00 H new ATOM 0 HA LEU A 17 4.226 -7.319 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.449 -6.174 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.736 -6.501 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 17 5.293 -4.718 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.241 -2.825 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.298 -3.779 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.532 -3.980 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.040 -3.928 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.300 -5.075 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.210 -5.680 2.842 1.00 0.00 H new ATOM 265 N VAL A 18 5.898 -9.061 0.142 1.00 0.00 N ATOM 266 CA VAL A 18 5.875 -10.359 -0.588 1.00 0.00 C ATOM 267 C VAL A 18 5.892 -11.525 0.407 1.00 0.00 C ATOM 268 O VAL A 18 5.227 -12.521 0.220 1.00 0.00 O ATOM 269 CB VAL A 18 7.101 -10.441 -1.504 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.199 -11.838 -2.121 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.969 -9.402 -2.620 1.00 0.00 C ATOM 0 H VAL A 18 6.751 -8.513 0.027 1.00 0.00 H new ATOM 0 HA VAL A 18 4.965 -10.422 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 18 8.000 -10.244 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.073 -11.888 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.293 -12.580 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.301 -12.042 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.840 -9.457 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.067 -9.602 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.906 -8.405 -2.184 1.00 0.00 H new ATOM 281 N ASN A 19 6.657 -11.417 1.454 1.00 0.00 N ATOM 282 CA ASN A 19 6.730 -12.532 2.440 1.00 0.00 C ATOM 283 C ASN A 19 5.349 -12.817 3.045 1.00 0.00 C ATOM 284 O ASN A 19 4.987 -13.956 3.265 1.00 0.00 O ATOM 285 CB ASN A 19 7.700 -12.146 3.559 1.00 0.00 C ATOM 286 CG ASN A 19 7.784 -13.283 4.579 1.00 0.00 C ATOM 287 OD1 ASN A 19 7.337 -14.382 4.319 1.00 0.00 O ATOM 288 ND2 ASN A 19 8.345 -13.064 5.736 1.00 0.00 N ATOM 0 H ASN A 19 7.236 -10.606 1.672 1.00 0.00 H new ATOM 0 HA ASN A 19 7.077 -13.430 1.929 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.687 -11.942 3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.364 -11.231 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.408 -13.816 6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.720 -12.141 5.954 1.00 0.00 H new ATOM 295 N ILE A 20 4.581 -11.801 3.338 1.00 0.00 N ATOM 296 CA ILE A 20 3.238 -12.037 3.954 1.00 0.00 C ATOM 297 C ILE A 20 2.200 -12.484 2.907 1.00 0.00 C ATOM 298 O ILE A 20 1.192 -13.068 3.254 1.00 0.00 O ATOM 299 CB ILE A 20 2.760 -10.758 4.654 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.743 -9.595 3.659 1.00 0.00 C ATOM 301 CG2 ILE A 20 3.709 -10.422 5.807 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.242 -8.324 4.355 1.00 0.00 C ATOM 0 H ILE A 20 4.822 -10.823 3.179 1.00 0.00 H new ATOM 0 HA ILE A 20 3.339 -12.841 4.683 1.00 0.00 H new ATOM 0 HB ILE A 20 1.753 -10.917 5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.744 -9.431 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.098 -9.836 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.370 -9.513 6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.719 -11.245 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.715 -10.268 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.232 -7.499 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.233 -8.490 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.905 -8.078 5.185 1.00 0.00 H new ATOM 314 N THR A 21 2.413 -12.215 1.637 1.00 0.00 N ATOM 315 CA THR A 21 1.400 -12.630 0.600 1.00 0.00 C ATOM 316 C THR A 21 1.834 -13.921 -0.109 1.00 0.00 C ATOM 317 O THR A 21 1.105 -14.468 -0.909 1.00 0.00 O ATOM 318 CB THR A 21 1.252 -11.524 -0.453 1.00 0.00 C ATOM 319 OG1 THR A 21 2.528 -11.222 -0.999 1.00 0.00 O ATOM 320 CG2 THR A 21 0.650 -10.260 0.173 1.00 0.00 C ATOM 0 H THR A 21 3.234 -11.731 1.274 1.00 0.00 H new ATOM 0 HA THR A 21 0.452 -12.802 1.109 1.00 0.00 H new ATOM 0 HB THR A 21 0.584 -11.874 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.992 -10.587 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.553 -9.487 -0.589 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.333 -10.490 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.302 -9.903 0.970 1.00 0.00 H new ATOM 328 N GLN A 22 3.005 -14.419 0.154 1.00 0.00 N ATOM 329 CA GLN A 22 3.436 -15.674 -0.534 1.00 0.00 C ATOM 330 C GLN A 22 2.821 -16.903 0.151 1.00 0.00 C ATOM 331 O GLN A 22 2.454 -17.861 -0.501 1.00 0.00 O ATOM 332 CB GLN A 22 4.968 -15.777 -0.510 1.00 0.00 C ATOM 333 CG GLN A 22 5.563 -14.890 -1.610 1.00 0.00 C ATOM 334 CD GLN A 22 5.359 -15.555 -2.973 1.00 0.00 C ATOM 335 OE1 GLN A 22 5.674 -16.716 -3.148 1.00 0.00 O ATOM 336 NE2 GLN A 22 4.839 -14.865 -3.952 1.00 0.00 N ATOM 0 H GLN A 22 3.680 -14.021 0.807 1.00 0.00 H new ATOM 0 HA GLN A 22 3.090 -15.643 -1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.348 -15.469 0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.275 -16.812 -0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.087 -13.910 -1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.626 -14.731 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.575 -13.891 -3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.697 -15.300 -4.864 1.00 0.00 H new ATOM 345 N ASN A 23 2.739 -16.900 1.461 1.00 0.00 N ATOM 346 CA ASN A 23 2.184 -18.089 2.196 1.00 0.00 C ATOM 347 C ASN A 23 0.800 -17.805 2.798 1.00 0.00 C ATOM 348 O ASN A 23 0.369 -18.506 3.692 1.00 0.00 O ATOM 349 CB ASN A 23 3.144 -18.454 3.330 1.00 0.00 C ATOM 350 CG ASN A 23 4.490 -18.877 2.742 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.519 -18.340 3.099 1.00 0.00 O ATOM 352 ND2 ASN A 23 4.525 -19.826 1.848 1.00 0.00 N ATOM 0 H ASN A 23 3.032 -16.125 2.056 1.00 0.00 H new ATOM 0 HA ASN A 23 2.078 -18.906 1.482 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.278 -17.602 3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.726 -19.264 3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.417 -20.117 1.448 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.660 -20.277 1.549 1.00 0.00 H new ATOM 359 N GLN A 24 0.088 -16.801 2.350 1.00 0.00 N ATOM 360 CA GLN A 24 -1.255 -16.544 2.965 1.00 0.00 C ATOM 361 C GLN A 24 -2.299 -17.466 2.321 1.00 0.00 C ATOM 362 O GLN A 24 -2.411 -17.547 1.115 1.00 0.00 O ATOM 363 CB GLN A 24 -1.660 -15.055 2.796 1.00 0.00 C ATOM 364 CG GLN A 24 -2.314 -14.749 1.428 1.00 0.00 C ATOM 365 CD GLN A 24 -1.335 -14.979 0.277 1.00 0.00 C ATOM 366 OE1 GLN A 24 -0.738 -16.131 0.150 1.00 0.00 O flip ATOM 367 NE2 GLN A 24 -1.129 -14.096 -0.530 1.00 0.00 N flip ATOM 0 H GLN A 24 0.366 -16.162 1.605 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.203 -16.757 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.354 -14.782 3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.775 -14.429 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.191 -15.382 1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.660 -13.716 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.596 -13.195 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.489 -14.255 -1.308 1.00 0.00 H new ATOM 376 N LYS A 25 -3.077 -18.154 3.115 1.00 0.00 N ATOM 377 CA LYS A 25 -4.124 -19.048 2.536 1.00 0.00 C ATOM 378 C LYS A 25 -5.386 -18.215 2.316 1.00 0.00 C ATOM 379 O LYS A 25 -5.660 -17.761 1.223 1.00 0.00 O ATOM 380 CB LYS A 25 -4.424 -20.202 3.500 1.00 0.00 C ATOM 381 CG LYS A 25 -5.353 -21.209 2.814 1.00 0.00 C ATOM 382 CD LYS A 25 -5.658 -22.366 3.770 1.00 0.00 C ATOM 383 CE LYS A 25 -6.588 -23.370 3.081 1.00 0.00 C ATOM 384 NZ LYS A 25 -7.208 -24.258 4.106 1.00 0.00 N ATOM 0 H LYS A 25 -3.034 -18.136 4.134 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.778 -19.471 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.497 -20.691 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.890 -19.820 4.408 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.279 -20.718 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.886 -21.589 1.906 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.732 -22.858 4.069 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.125 -21.987 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.363 -22.842 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.028 -23.965 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.839 -24.940 3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.462 -24.771 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.756 -23.683 4.778 1.00 0.00 H new ATOM 398 N ALA A 26 -6.140 -17.985 3.355 1.00 0.00 N ATOM 399 CA ALA A 26 -7.366 -17.153 3.221 1.00 0.00 C ATOM 400 C ALA A 26 -6.930 -15.676 3.247 1.00 0.00 C ATOM 401 O ALA A 26 -5.915 -15.354 3.832 1.00 0.00 O ATOM 402 CB ALA A 26 -8.300 -17.463 4.403 1.00 0.00 C ATOM 0 H ALA A 26 -5.958 -18.339 4.294 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.896 -17.363 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.205 -16.861 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.566 -18.520 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.793 -17.228 5.339 1.00 0.00 H new ATOM 408 N PRO A 27 -7.661 -14.775 2.630 1.00 0.00 N ATOM 409 CA PRO A 27 -7.248 -13.347 2.643 1.00 0.00 C ATOM 410 C PRO A 27 -6.909 -12.876 4.064 1.00 0.00 C ATOM 411 O PRO A 27 -7.500 -13.322 5.027 1.00 0.00 O ATOM 412 CB PRO A 27 -8.493 -12.629 2.077 1.00 0.00 C ATOM 413 CG PRO A 27 -9.524 -13.699 1.651 1.00 0.00 C ATOM 414 CD PRO A 27 -8.917 -15.094 1.899 1.00 0.00 C ATOM 0 HA PRO A 27 -6.344 -13.149 2.066 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.923 -11.967 2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.217 -12.008 1.225 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.447 -13.582 2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.780 -13.580 0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.581 -15.726 2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.720 -15.622 0.966 1.00 0.00 H new ATOM 422 N LEU A 28 -5.966 -11.984 4.206 1.00 0.00 N ATOM 423 CA LEU A 28 -5.612 -11.507 5.572 1.00 0.00 C ATOM 424 C LEU A 28 -6.853 -10.874 6.194 1.00 0.00 C ATOM 425 O LEU A 28 -7.228 -11.176 7.309 1.00 0.00 O ATOM 426 CB LEU A 28 -4.497 -10.459 5.481 1.00 0.00 C ATOM 427 CG LEU A 28 -3.236 -11.079 4.860 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.215 -9.970 4.583 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.622 -12.116 5.818 1.00 0.00 C ATOM 0 H LEU A 28 -5.431 -11.569 3.443 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.265 -12.341 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.830 -9.614 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.270 -10.072 6.474 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.505 -11.578 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.317 -10.404 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.644 -9.244 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.956 -9.472 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.729 -12.547 5.364 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.354 -11.631 6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.347 -12.906 6.012 1.00 0.00 H new ATOM 441 N CYS A 29 -7.507 -10.013 5.466 1.00 0.00 N ATOM 442 CA CYS A 29 -8.743 -9.373 5.993 1.00 0.00 C ATOM 443 C CYS A 29 -9.928 -10.301 5.730 1.00 0.00 C ATOM 444 O CYS A 29 -9.868 -11.166 4.879 1.00 0.00 O ATOM 445 CB CYS A 29 -8.979 -8.040 5.286 1.00 0.00 C ATOM 446 SG CYS A 29 -7.653 -6.887 5.708 1.00 0.00 S ATOM 0 H CYS A 29 -7.237 -9.724 4.526 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.635 -9.195 7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.014 -8.190 4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.943 -7.626 5.582 1.00 0.00 H new ATOM 451 N ASN A 30 -11.004 -10.135 6.444 1.00 0.00 N ATOM 452 CA ASN A 30 -12.181 -11.016 6.214 1.00 0.00 C ATOM 453 C ASN A 30 -12.819 -10.685 4.860 1.00 0.00 C ATOM 454 O ASN A 30 -13.913 -10.161 4.793 1.00 0.00 O ATOM 455 CB ASN A 30 -13.206 -10.800 7.329 1.00 0.00 C ATOM 456 CG ASN A 30 -14.353 -11.799 7.165 1.00 0.00 C ATOM 457 OD1 ASN A 30 -15.387 -11.471 6.618 1.00 0.00 O ATOM 458 ND2 ASN A 30 -14.212 -13.016 7.617 1.00 0.00 N ATOM 0 H ASN A 30 -11.120 -9.431 7.173 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.857 -12.057 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.733 -10.929 8.303 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.589 -9.780 7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.970 -13.691 7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.344 -13.292 8.076 1.00 0.00 H new ATOM 465 N GLY A 31 -12.152 -10.994 3.781 1.00 0.00 N ATOM 466 CA GLY A 31 -12.732 -10.706 2.436 1.00 0.00 C ATOM 467 C GLY A 31 -12.987 -9.202 2.282 1.00 0.00 C ATOM 468 O GLY A 31 -13.815 -8.785 1.496 1.00 0.00 O ATOM 0 H GLY A 31 -11.231 -11.433 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.051 -11.049 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.665 -11.256 2.308 1.00 0.00 H new ATOM 472 N SER A 32 -12.294 -8.383 3.026 1.00 0.00 N ATOM 473 CA SER A 32 -12.514 -6.910 2.917 1.00 0.00 C ATOM 474 C SER A 32 -12.154 -6.427 1.509 1.00 0.00 C ATOM 475 O SER A 32 -11.247 -6.936 0.874 1.00 0.00 O ATOM 476 CB SER A 32 -11.642 -6.181 3.938 1.00 0.00 C ATOM 477 OG SER A 32 -11.990 -6.616 5.246 1.00 0.00 O ATOM 0 H SER A 32 -11.587 -8.668 3.703 1.00 0.00 H new ATOM 0 HA SER A 32 -13.565 -6.696 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.588 -6.382 3.743 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.783 -5.104 3.851 1.00 0.00 H new ATOM 0 HG SER A 32 -11.466 -6.117 5.907 1.00 0.00 H new ATOM 483 N MET A 33 -12.865 -5.439 1.024 1.00 0.00 N ATOM 484 CA MET A 33 -12.594 -4.884 -0.340 1.00 0.00 C ATOM 485 C MET A 33 -12.136 -3.429 -0.204 1.00 0.00 C ATOM 486 O MET A 33 -12.516 -2.737 0.720 1.00 0.00 O ATOM 487 CB MET A 33 -13.881 -4.939 -1.163 1.00 0.00 C ATOM 488 CG MET A 33 -14.218 -6.396 -1.490 1.00 0.00 C ATOM 489 SD MET A 33 -15.743 -6.464 -2.466 1.00 0.00 S ATOM 490 CE MET A 33 -15.012 -6.156 -4.095 1.00 0.00 C ATOM 0 H MET A 33 -13.632 -4.987 1.522 1.00 0.00 H new ATOM 0 HA MET A 33 -11.817 -5.467 -0.835 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.700 -4.481 -0.608 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.761 -4.367 -2.083 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.399 -6.853 -2.045 1.00 0.00 H new ATOM 0 HG3 MET A 33 -14.338 -6.967 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 33 -15.788 -6.210 -4.858 1.00 0.00 H new ATOM 0 HE2 MET A 33 -14.558 -5.165 -4.109 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.249 -6.907 -4.299 1.00 0.00 H new ATOM 500 N VAL A 34 -11.315 -2.963 -1.116 1.00 0.00 N ATOM 501 CA VAL A 34 -10.814 -1.549 -1.051 1.00 0.00 C ATOM 502 C VAL A 34 -11.009 -0.860 -2.404 1.00 0.00 C ATOM 503 O VAL A 34 -11.166 -1.501 -3.425 1.00 0.00 O ATOM 504 CB VAL A 34 -9.329 -1.551 -0.680 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.166 -2.094 0.739 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.553 -2.448 -1.650 1.00 0.00 C ATOM 0 H VAL A 34 -10.968 -3.504 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.377 -1.004 -0.294 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.942 -0.534 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.110 -2.098 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.716 -1.462 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.556 -3.111 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.497 -2.446 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.940 -3.465 -1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.670 -2.072 -2.666 1.00 0.00 H new ATOM 516 N TRP A 35 -11.007 0.447 -2.413 1.00 0.00 N ATOM 517 CA TRP A 35 -11.198 1.192 -3.690 1.00 0.00 C ATOM 518 C TRP A 35 -9.930 1.109 -4.538 1.00 0.00 C ATOM 519 O TRP A 35 -8.838 1.338 -4.059 1.00 0.00 O ATOM 520 CB TRP A 35 -11.471 2.667 -3.387 1.00 0.00 C ATOM 521 CG TRP A 35 -12.754 2.818 -2.639 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.882 2.752 -1.295 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.088 3.070 -3.165 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.207 2.953 -0.960 1.00 0.00 N ATOM 525 CE2 TRP A 35 -14.992 3.151 -2.080 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.596 3.233 -4.465 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.352 3.388 -2.277 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -15.965 3.469 -4.669 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.841 3.546 -3.577 1.00 0.00 C ATOM 0 H TRP A 35 -10.881 1.032 -1.587 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.037 0.751 -4.228 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.651 3.082 -2.801 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.517 3.233 -4.317 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.079 2.571 -0.596 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.562 2.955 -0.004 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -13.929 3.176 -5.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.022 3.449 -1.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.345 3.592 -5.672 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.893 3.727 -3.740 1.00 0.00 H new ATOM 540 N SER A 36 -10.065 0.815 -5.800 1.00 0.00 N ATOM 541 CA SER A 36 -8.862 0.761 -6.671 1.00 0.00 C ATOM 542 C SER A 36 -8.345 2.188 -6.852 1.00 0.00 C ATOM 543 O SER A 36 -9.101 3.136 -6.779 1.00 0.00 O ATOM 544 CB SER A 36 -9.234 0.168 -8.030 1.00 0.00 C ATOM 545 OG SER A 36 -10.266 0.950 -8.616 1.00 0.00 O ATOM 0 H SER A 36 -10.951 0.611 -6.263 1.00 0.00 H new ATOM 0 HA SER A 36 -8.093 0.135 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.361 0.149 -8.683 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.566 -0.863 -7.911 1.00 0.00 H new ATOM 0 HG SER A 36 -11.137 0.638 -8.292 1.00 0.00 H new ATOM 551 N ILE A 37 -7.067 2.354 -7.075 1.00 0.00 N ATOM 552 CA ILE A 37 -6.497 3.730 -7.249 1.00 0.00 C ATOM 553 C ILE A 37 -5.605 3.772 -8.488 1.00 0.00 C ATOM 554 O ILE A 37 -5.168 2.754 -8.987 1.00 0.00 O ATOM 555 CB ILE A 37 -5.658 4.092 -6.018 1.00 0.00 C ATOM 556 CG1 ILE A 37 -4.658 2.963 -5.717 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.579 4.292 -4.812 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.537 3.495 -4.820 1.00 0.00 C ATOM 0 H ILE A 37 -6.389 1.595 -7.145 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.314 4.442 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.111 5.013 -6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.167 2.134 -5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.241 2.576 -6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.982 4.549 -3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.282 5.098 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.129 3.371 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.829 2.693 -4.608 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.021 4.310 -5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.962 3.861 -3.885 1.00 0.00 H new ATOM 570 N ASN A 38 -5.314 4.948 -8.977 1.00 0.00 N ATOM 571 CA ASN A 38 -4.426 5.068 -10.167 1.00 0.00 C ATOM 572 C ASN A 38 -2.988 5.182 -9.667 1.00 0.00 C ATOM 573 O ASN A 38 -2.636 6.107 -8.961 1.00 0.00 O ATOM 574 CB ASN A 38 -4.796 6.318 -10.971 1.00 0.00 C ATOM 575 CG ASN A 38 -4.000 6.335 -12.277 1.00 0.00 C ATOM 576 OD1 ASN A 38 -3.316 5.383 -12.598 1.00 0.00 O ATOM 577 ND2 ASN A 38 -4.063 7.383 -13.052 1.00 0.00 N ATOM 0 H ASN A 38 -5.655 5.833 -8.601 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.538 4.197 -10.813 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.865 6.324 -11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.581 7.215 -10.390 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.538 7.403 -13.927 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.637 8.182 -12.783 1.00 0.00 H new ATOM 584 N LEU A 39 -2.160 4.236 -10.003 1.00 0.00 N ATOM 585 CA LEU A 39 -0.753 4.273 -9.523 1.00 0.00 C ATOM 586 C LEU A 39 0.060 5.235 -10.395 1.00 0.00 C ATOM 587 O LEU A 39 0.289 4.986 -11.562 1.00 0.00 O ATOM 588 CB LEU A 39 -0.149 2.865 -9.622 1.00 0.00 C ATOM 589 CG LEU A 39 -0.835 1.883 -8.647 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.684 2.356 -7.193 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.325 1.739 -8.996 1.00 0.00 C ATOM 0 H LEU A 39 -2.397 3.437 -10.591 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.729 4.613 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.250 2.496 -10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.918 2.910 -9.404 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.348 0.913 -8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.176 1.647 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.374 2.419 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.143 3.338 -7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.796 1.044 -8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.812 2.712 -8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.425 1.359 -10.013 1.00 0.00 H new ATOM 603 N THR A 40 0.503 6.332 -9.834 1.00 0.00 N ATOM 604 CA THR A 40 1.307 7.314 -10.625 1.00 0.00 C ATOM 605 C THR A 40 2.302 8.023 -9.700 1.00 0.00 C ATOM 606 O THR A 40 3.457 7.652 -9.621 1.00 0.00 O ATOM 607 CB THR A 40 0.372 8.353 -11.252 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.513 8.850 -10.258 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.437 7.708 -12.379 1.00 0.00 C ATOM 0 H THR A 40 0.342 6.591 -8.860 1.00 0.00 H new ATOM 0 HA THR A 40 1.849 6.788 -11.411 1.00 0.00 H new ATOM 0 HB THR A 40 0.964 9.173 -11.659 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.111 9.516 -10.656 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.100 8.451 -12.822 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.242 7.327 -13.142 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.029 6.886 -11.977 1.00 0.00 H new ATOM 617 N ALA A 41 1.859 9.042 -8.999 1.00 0.00 N ATOM 618 CA ALA A 41 2.768 9.791 -8.068 1.00 0.00 C ATOM 619 C ALA A 41 2.287 9.606 -6.627 1.00 0.00 C ATOM 620 O ALA A 41 2.963 9.014 -5.809 1.00 0.00 O ATOM 621 CB ALA A 41 2.740 11.279 -8.423 1.00 0.00 C ATOM 0 H ALA A 41 0.901 9.390 -9.032 1.00 0.00 H new ATOM 0 HA ALA A 41 3.784 9.409 -8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.399 11.826 -7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.078 11.414 -9.450 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.723 11.658 -8.323 1.00 0.00 H new ATOM 627 N GLY A 42 1.121 10.101 -6.309 1.00 0.00 N ATOM 628 CA GLY A 42 0.594 9.945 -4.921 1.00 0.00 C ATOM 629 C GLY A 42 0.257 8.473 -4.671 1.00 0.00 C ATOM 630 O GLY A 42 -0.744 8.146 -4.065 1.00 0.00 O ATOM 0 H GLY A 42 0.510 10.607 -6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.334 10.289 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.295 10.562 -4.785 1.00 0.00 H new ATOM 634 N MET A 43 1.083 7.584 -5.148 1.00 0.00 N ATOM 635 CA MET A 43 0.822 6.130 -4.965 1.00 0.00 C ATOM 636 C MET A 43 0.764 5.790 -3.474 1.00 0.00 C ATOM 637 O MET A 43 -0.148 5.135 -3.010 1.00 0.00 O ATOM 638 CB MET A 43 1.984 5.352 -5.586 1.00 0.00 C ATOM 639 CG MET A 43 2.018 5.548 -7.110 1.00 0.00 C ATOM 640 SD MET A 43 3.729 5.411 -7.700 1.00 0.00 S ATOM 641 CE MET A 43 4.185 3.894 -6.822 1.00 0.00 C ATOM 0 H MET A 43 1.936 7.806 -5.662 1.00 0.00 H new ATOM 0 HA MET A 43 -0.126 5.870 -5.436 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.926 5.686 -5.151 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.884 4.292 -5.353 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.393 4.800 -7.598 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.609 6.524 -7.371 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.982 3.385 -7.364 1.00 0.00 H new ATOM 0 HE2 MET A 43 4.531 4.144 -5.819 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.317 3.238 -6.754 1.00 0.00 H new ATOM 651 N TYR A 44 1.745 6.215 -2.727 1.00 0.00 N ATOM 652 CA TYR A 44 1.764 5.904 -1.270 1.00 0.00 C ATOM 653 C TYR A 44 0.592 6.591 -0.569 1.00 0.00 C ATOM 654 O TYR A 44 -0.090 5.998 0.243 1.00 0.00 O ATOM 655 CB TYR A 44 3.084 6.394 -0.673 1.00 0.00 C ATOM 656 CG TYR A 44 4.219 5.576 -1.241 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.627 4.404 -0.594 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.857 5.984 -2.419 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.674 3.641 -1.122 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.906 5.220 -2.948 1.00 0.00 C ATOM 661 CZ TYR A 44 6.314 4.049 -2.299 1.00 0.00 C ATOM 662 OH TYR A 44 7.345 3.295 -2.819 1.00 0.00 O ATOM 0 H TYR A 44 2.535 6.765 -3.063 1.00 0.00 H new ATOM 0 HA TYR A 44 1.672 4.827 -1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.231 7.450 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.062 6.303 0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.133 4.088 0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.541 6.887 -2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.989 2.737 -0.622 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.399 5.535 -3.856 1.00 0.00 H new ATOM 0 HH TYR A 44 7.678 3.717 -3.638 1.00 0.00 H new ATOM 672 N CYS A 45 0.349 7.836 -0.873 1.00 0.00 N ATOM 673 CA CYS A 45 -0.781 8.552 -0.219 1.00 0.00 C ATOM 674 C CYS A 45 -2.106 7.963 -0.706 1.00 0.00 C ATOM 675 O CYS A 45 -2.989 7.672 0.076 1.00 0.00 O ATOM 676 CB CYS A 45 -0.714 10.039 -0.569 1.00 0.00 C ATOM 677 SG CYS A 45 0.834 10.736 0.062 1.00 0.00 S ATOM 0 H CYS A 45 0.883 8.387 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.711 8.435 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.772 10.173 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.565 10.565 -0.136 1.00 0.00 H new ATOM 682 N ALA A 46 -2.251 7.784 -1.992 1.00 0.00 N ATOM 683 CA ALA A 46 -3.520 7.214 -2.529 1.00 0.00 C ATOM 684 C ALA A 46 -3.742 5.822 -1.934 1.00 0.00 C ATOM 685 O ALA A 46 -4.822 5.486 -1.487 1.00 0.00 O ATOM 686 CB ALA A 46 -3.427 7.105 -4.053 1.00 0.00 C ATOM 0 H ALA A 46 -1.545 8.008 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.353 7.864 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.355 6.688 -4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.265 8.095 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.595 6.454 -4.321 1.00 0.00 H new ATOM 692 N ALA A 47 -2.729 5.008 -1.924 1.00 0.00 N ATOM 693 CA ALA A 47 -2.885 3.644 -1.355 1.00 0.00 C ATOM 694 C ALA A 47 -3.194 3.744 0.143 1.00 0.00 C ATOM 695 O ALA A 47 -3.991 2.996 0.674 1.00 0.00 O ATOM 696 CB ALA A 47 -1.588 2.855 -1.557 1.00 0.00 C ATOM 0 H ALA A 47 -1.800 5.227 -2.285 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.705 3.133 -1.860 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.702 1.854 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.369 2.781 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.768 3.367 -1.053 1.00 0.00 H new ATOM 702 N LEU A 48 -2.551 4.650 0.830 1.00 0.00 N ATOM 703 CA LEU A 48 -2.784 4.782 2.297 1.00 0.00 C ATOM 704 C LEU A 48 -4.254 5.107 2.587 1.00 0.00 C ATOM 705 O LEU A 48 -4.879 4.465 3.403 1.00 0.00 O ATOM 706 CB LEU A 48 -1.885 5.901 2.844 1.00 0.00 C ATOM 707 CG LEU A 48 -2.097 6.089 4.357 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.727 4.803 5.113 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.208 7.240 4.842 1.00 0.00 C ATOM 0 H LEU A 48 -1.874 5.305 0.438 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.543 3.837 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.840 5.662 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.102 6.834 2.324 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.146 6.317 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.882 4.952 6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.356 3.983 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.680 4.561 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.350 7.383 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.163 7.002 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.478 8.155 4.315 1.00 0.00 H new ATOM 721 N GLU A 49 -4.823 6.087 1.936 1.00 0.00 N ATOM 722 CA GLU A 49 -6.253 6.413 2.222 1.00 0.00 C ATOM 723 C GLU A 49 -7.124 5.192 1.949 1.00 0.00 C ATOM 724 O GLU A 49 -8.083 4.939 2.650 1.00 0.00 O ATOM 725 CB GLU A 49 -6.726 7.588 1.364 1.00 0.00 C ATOM 726 CG GLU A 49 -6.368 7.346 -0.099 1.00 0.00 C ATOM 727 CD GLU A 49 -6.964 8.464 -0.955 1.00 0.00 C ATOM 728 OE1 GLU A 49 -7.826 9.166 -0.455 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.553 8.597 -2.095 1.00 0.00 O ATOM 0 H GLU A 49 -4.370 6.668 1.230 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.339 6.696 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.804 7.713 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.264 8.512 1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.285 7.317 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.752 6.379 -0.424 1.00 0.00 H new ATOM 736 N SER A 50 -6.808 4.428 0.943 1.00 0.00 N ATOM 737 CA SER A 50 -7.639 3.230 0.652 1.00 0.00 C ATOM 738 C SER A 50 -7.487 2.217 1.795 1.00 0.00 C ATOM 739 O SER A 50 -8.444 1.598 2.217 1.00 0.00 O ATOM 740 CB SER A 50 -7.179 2.598 -0.663 1.00 0.00 C ATOM 741 OG SER A 50 -5.852 2.112 -0.513 1.00 0.00 O ATOM 0 H SER A 50 -6.018 4.579 0.315 1.00 0.00 H new ATOM 0 HA SER A 50 -8.685 3.522 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.847 1.783 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.220 3.333 -1.467 1.00 0.00 H new ATOM 0 HG SER A 50 -5.317 2.769 -0.020 1.00 0.00 H new ATOM 747 N LEU A 51 -6.293 2.049 2.306 1.00 0.00 N ATOM 748 CA LEU A 51 -6.083 1.083 3.427 1.00 0.00 C ATOM 749 C LEU A 51 -6.738 1.629 4.702 1.00 0.00 C ATOM 750 O LEU A 51 -7.312 0.894 5.481 1.00 0.00 O ATOM 751 CB LEU A 51 -4.582 0.883 3.671 1.00 0.00 C ATOM 752 CG LEU A 51 -3.929 0.197 2.459 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.406 0.226 2.628 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.403 -1.264 2.342 1.00 0.00 C ATOM 0 H LEU A 51 -5.454 2.539 1.995 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.534 0.126 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.105 1.846 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.430 0.278 4.565 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.217 0.730 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.936 -0.259 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.067 1.260 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.131 -0.303 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.930 -1.732 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.129 -1.809 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.486 -1.286 2.219 1.00 0.00 H new ATOM 766 N ILE A 52 -6.649 2.913 4.922 1.00 0.00 N ATOM 767 CA ILE A 52 -7.257 3.513 6.146 1.00 0.00 C ATOM 768 C ILE A 52 -8.741 3.130 6.217 1.00 0.00 C ATOM 769 O ILE A 52 -9.367 3.241 7.253 1.00 0.00 O ATOM 770 CB ILE A 52 -7.100 5.047 6.090 1.00 0.00 C ATOM 771 CG1 ILE A 52 -5.633 5.448 6.362 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.014 5.729 7.115 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.160 4.978 7.750 1.00 0.00 C ATOM 0 H ILE A 52 -6.180 3.575 4.304 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.753 3.137 7.036 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.386 5.376 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.990 5.018 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.533 6.531 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.885 6.810 7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.052 5.476 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.755 5.387 8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.124 5.279 7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.786 5.429 8.520 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.235 3.892 7.812 1.00 0.00 H new ATOM 785 N ASN A 53 -9.311 2.677 5.132 1.00 0.00 N ATOM 786 CA ASN A 53 -10.752 2.289 5.160 1.00 0.00 C ATOM 787 C ASN A 53 -10.875 0.850 5.667 1.00 0.00 C ATOM 788 O ASN A 53 -11.941 0.399 6.038 1.00 0.00 O ATOM 789 CB ASN A 53 -11.334 2.385 3.747 1.00 0.00 C ATOM 790 CG ASN A 53 -11.318 3.846 3.300 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.411 4.740 4.116 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.197 4.127 2.031 1.00 0.00 N ATOM 0 H ASN A 53 -8.845 2.559 4.233 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.300 2.959 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.751 1.774 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.353 1.998 3.733 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.180 5.099 1.723 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.119 3.374 1.347 1.00 0.00 H new ATOM 799 N VAL A 54 -9.786 0.128 5.693 1.00 0.00 N ATOM 800 CA VAL A 54 -9.823 -1.282 6.183 1.00 0.00 C ATOM 801 C VAL A 54 -9.550 -1.300 7.688 1.00 0.00 C ATOM 802 O VAL A 54 -8.530 -0.823 8.144 1.00 0.00 O ATOM 803 CB VAL A 54 -8.749 -2.096 5.461 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.782 -3.540 5.959 1.00 0.00 C ATOM 805 CG2 VAL A 54 -9.021 -2.073 3.957 1.00 0.00 C ATOM 0 H VAL A 54 -8.867 0.456 5.394 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.803 -1.715 5.984 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.769 -1.664 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.016 -4.120 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.592 -3.559 7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.762 -3.972 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.256 -2.653 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.001 -2.506 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.000 -1.044 3.599 1.00 0.00 H new ATOM 815 N SER A 55 -10.459 -1.843 8.461 1.00 0.00 N ATOM 816 CA SER A 55 -10.271 -1.896 9.948 1.00 0.00 C ATOM 817 C SER A 55 -10.315 -3.350 10.421 1.00 0.00 C ATOM 818 O SER A 55 -10.994 -4.181 9.851 1.00 0.00 O ATOM 819 CB SER A 55 -11.394 -1.111 10.624 1.00 0.00 C ATOM 820 OG SER A 55 -11.279 0.262 10.274 1.00 0.00 O ATOM 0 H SER A 55 -11.329 -2.255 8.125 1.00 0.00 H new ATOM 0 HA SER A 55 -9.306 -1.460 10.208 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.364 -1.498 10.312 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.337 -1.229 11.706 1.00 0.00 H new ATOM 0 HG SER A 55 -11.998 0.770 10.704 1.00 0.00 H new ATOM 826 N GLY A 56 -9.595 -3.661 11.467 1.00 0.00 N ATOM 827 CA GLY A 56 -9.587 -5.059 11.995 1.00 0.00 C ATOM 828 C GLY A 56 -8.418 -5.840 11.390 1.00 0.00 C ATOM 829 O GLY A 56 -8.105 -6.931 11.823 1.00 0.00 O ATOM 0 H GLY A 56 -9.009 -3.004 11.981 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.503 -5.046 13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.528 -5.553 11.754 1.00 0.00 H new ATOM 833 N CYS A 57 -7.758 -5.292 10.400 1.00 0.00 N ATOM 834 CA CYS A 57 -6.599 -6.009 9.783 1.00 0.00 C ATOM 835 C CYS A 57 -5.301 -5.491 10.403 1.00 0.00 C ATOM 836 O CYS A 57 -4.696 -4.560 9.911 1.00 0.00 O ATOM 837 CB CYS A 57 -6.572 -5.747 8.278 1.00 0.00 C ATOM 838 SG CYS A 57 -8.155 -6.219 7.546 1.00 0.00 S ATOM 0 H CYS A 57 -7.971 -4.381 9.993 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.698 -7.079 9.964 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.372 -4.693 8.087 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.764 -6.313 7.815 1.00 0.00 H new ATOM 843 N SER A 58 -4.867 -6.084 11.478 1.00 0.00 N ATOM 844 CA SER A 58 -3.607 -5.625 12.125 1.00 0.00 C ATOM 845 C SER A 58 -2.405 -6.061 11.282 1.00 0.00 C ATOM 846 O SER A 58 -1.395 -5.389 11.225 1.00 0.00 O ATOM 847 CB SER A 58 -3.498 -6.231 13.525 1.00 0.00 C ATOM 848 OG SER A 58 -2.333 -5.728 14.165 1.00 0.00 O ATOM 0 H SER A 58 -5.330 -6.868 11.938 1.00 0.00 H new ATOM 0 HA SER A 58 -3.618 -4.538 12.201 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.384 -5.984 14.110 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.451 -7.318 13.461 1.00 0.00 H new ATOM 0 HG SER A 58 -2.359 -4.748 14.169 1.00 0.00 H new ATOM 854 N ALA A 59 -2.505 -7.194 10.643 1.00 0.00 N ATOM 855 CA ALA A 59 -1.371 -7.700 9.818 1.00 0.00 C ATOM 856 C ALA A 59 -0.865 -6.609 8.866 1.00 0.00 C ATOM 857 O ALA A 59 0.242 -6.688 8.371 1.00 0.00 O ATOM 858 CB ALA A 59 -1.838 -8.907 9.000 1.00 0.00 C ATOM 0 H ALA A 59 -3.329 -7.795 10.657 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.558 -7.990 10.483 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.011 -9.279 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.178 -9.694 9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.659 -8.609 8.347 1.00 0.00 H new ATOM 864 N ILE A 60 -1.657 -5.593 8.606 1.00 0.00 N ATOM 865 CA ILE A 60 -1.212 -4.495 7.683 1.00 0.00 C ATOM 866 C ILE A 60 -1.059 -3.200 8.475 1.00 0.00 C ATOM 867 O ILE A 60 -0.832 -2.144 7.918 1.00 0.00 O ATOM 868 CB ILE A 60 -2.246 -4.307 6.567 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.623 -4.010 7.167 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.327 -5.585 5.731 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.602 -3.666 6.043 1.00 0.00 C ATOM 0 H ILE A 60 -2.593 -5.476 8.993 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.254 -4.760 7.236 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.942 -3.470 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.983 -4.874 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.554 -3.181 7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.062 -5.454 4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.352 -5.795 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.626 -6.418 6.368 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.583 -3.454 6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.243 -2.790 5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.678 -4.509 5.356 1.00 0.00 H new ATOM 883 N GLU A 61 -1.169 -3.270 9.772 1.00 0.00 N ATOM 884 CA GLU A 61 -1.016 -2.038 10.588 1.00 0.00 C ATOM 885 C GLU A 61 0.384 -1.491 10.326 1.00 0.00 C ATOM 886 O GLU A 61 0.580 -0.323 10.052 1.00 0.00 O ATOM 887 CB GLU A 61 -1.153 -2.395 12.074 1.00 0.00 C ATOM 888 CG GLU A 61 -1.521 -1.151 12.872 1.00 0.00 C ATOM 889 CD GLU A 61 -1.653 -1.514 14.352 1.00 0.00 C ATOM 890 OE1 GLU A 61 -1.637 -2.696 14.654 1.00 0.00 O ATOM 891 OE2 GLU A 61 -1.772 -0.606 15.157 1.00 0.00 O ATOM 0 H GLU A 61 -1.357 -4.123 10.298 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.776 -1.301 10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.917 -3.161 12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.217 -2.812 12.445 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.758 -0.384 12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.458 -0.734 12.504 1.00 0.00 H new ATOM 898 N LYS A 62 1.354 -2.356 10.392 1.00 0.00 N ATOM 899 CA LYS A 62 2.761 -1.947 10.134 1.00 0.00 C ATOM 900 C LYS A 62 2.884 -1.426 8.703 1.00 0.00 C ATOM 901 O LYS A 62 3.600 -0.483 8.432 1.00 0.00 O ATOM 902 CB LYS A 62 3.681 -3.152 10.322 1.00 0.00 C ATOM 903 CG LYS A 62 3.742 -3.512 11.805 1.00 0.00 C ATOM 904 CD LYS A 62 4.662 -4.718 11.998 1.00 0.00 C ATOM 905 CE LYS A 62 4.740 -5.067 13.485 1.00 0.00 C ATOM 906 NZ LYS A 62 5.590 -4.059 14.181 1.00 0.00 N ATOM 0 H LYS A 62 1.230 -3.343 10.617 1.00 0.00 H new ATOM 0 HA LYS A 62 3.047 -1.160 10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.312 -4.000 9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.680 -2.924 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.111 -2.664 12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.743 -3.740 12.177 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.285 -5.570 11.433 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.657 -4.495 11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.741 -5.081 13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.158 -6.065 13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.842 -4.411 15.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.457 -3.896 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.065 -3.166 14.273 1.00 0.00 H new ATOM 920 N THR A 63 2.198 -2.045 7.783 1.00 0.00 N ATOM 921 CA THR A 63 2.280 -1.601 6.366 1.00 0.00 C ATOM 922 C THR A 63 1.825 -0.142 6.254 1.00 0.00 C ATOM 923 O THR A 63 2.408 0.642 5.534 1.00 0.00 O ATOM 924 CB THR A 63 1.362 -2.482 5.514 1.00 0.00 C ATOM 925 OG1 THR A 63 1.779 -3.835 5.619 1.00 0.00 O ATOM 926 CG2 THR A 63 1.429 -2.036 4.053 1.00 0.00 C ATOM 0 H THR A 63 1.583 -2.841 7.953 1.00 0.00 H new ATOM 0 HA THR A 63 3.309 -1.686 6.016 1.00 0.00 H new ATOM 0 HB THR A 63 0.336 -2.388 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.192 -4.401 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.774 -2.665 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.107 -0.998 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.453 -2.127 3.692 1.00 0.00 H new ATOM 934 N GLN A 64 0.789 0.230 6.955 1.00 0.00 N ATOM 935 CA GLN A 64 0.307 1.640 6.873 1.00 0.00 C ATOM 936 C GLN A 64 1.406 2.610 7.317 1.00 0.00 C ATOM 937 O GLN A 64 1.697 3.574 6.639 1.00 0.00 O ATOM 938 CB GLN A 64 -0.922 1.813 7.766 1.00 0.00 C ATOM 939 CG GLN A 64 -2.103 1.060 7.152 1.00 0.00 C ATOM 940 CD GLN A 64 -3.261 1.026 8.150 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.060 1.191 9.337 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.473 0.820 7.715 1.00 0.00 N ATOM 0 H GLN A 64 0.257 -0.377 7.578 1.00 0.00 H new ATOM 0 HA GLN A 64 0.043 1.861 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.715 1.434 8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.164 2.871 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.418 1.547 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.804 0.045 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.641 0.682 6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.253 0.797 8.371 1.00 0.00 H new ATOM 951 N ARG A 65 2.023 2.373 8.446 1.00 0.00 N ATOM 952 CA ARG A 65 3.096 3.304 8.902 1.00 0.00 C ATOM 953 C ARG A 65 4.222 3.305 7.870 1.00 0.00 C ATOM 954 O ARG A 65 4.771 4.334 7.530 1.00 0.00 O ATOM 955 CB ARG A 65 3.644 2.846 10.256 1.00 0.00 C ATOM 956 CG ARG A 65 4.682 3.855 10.756 1.00 0.00 C ATOM 957 CD ARG A 65 5.232 3.401 12.109 1.00 0.00 C ATOM 958 NE ARG A 65 6.188 4.424 12.621 1.00 0.00 N ATOM 959 CZ ARG A 65 6.558 4.406 13.872 1.00 0.00 C ATOM 960 NH1 ARG A 65 6.102 3.483 14.673 1.00 0.00 N ATOM 961 NH2 ARG A 65 7.387 5.309 14.320 1.00 0.00 N ATOM 0 H ARG A 65 1.833 1.585 9.065 1.00 0.00 H new ATOM 0 HA ARG A 65 2.687 4.309 9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.832 2.756 10.977 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.097 1.859 10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.494 3.944 10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.229 4.842 10.849 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.416 3.262 12.818 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.732 2.438 12.006 1.00 0.00 H new ATOM 0 HE ARG A 65 6.553 5.139 11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.457 2.776 14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.391 3.468 15.651 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.745 6.029 13.692 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.676 5.295 15.298 1.00 0.00 H new ATOM 975 N MET A 66 4.564 2.156 7.363 1.00 0.00 N ATOM 976 CA MET A 66 5.645 2.082 6.346 1.00 0.00 C ATOM 977 C MET A 66 5.234 2.907 5.123 1.00 0.00 C ATOM 978 O MET A 66 6.027 3.630 4.554 1.00 0.00 O ATOM 979 CB MET A 66 5.854 0.608 5.971 1.00 0.00 C ATOM 980 CG MET A 66 6.506 -0.147 7.158 1.00 0.00 C ATOM 981 SD MET A 66 5.729 -1.772 7.371 1.00 0.00 S ATOM 982 CE MET A 66 6.201 -2.477 5.777 1.00 0.00 C ATOM 0 H MET A 66 4.140 1.262 7.610 1.00 0.00 H new ATOM 0 HA MET A 66 6.579 2.486 6.736 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.899 0.149 5.716 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.489 0.534 5.088 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.574 -0.268 6.979 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.400 0.437 8.072 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.245 -3.563 5.858 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.464 -2.199 5.024 1.00 0.00 H new ATOM 0 HE3 MET A 66 7.180 -2.095 5.486 1.00 0.00 H new ATOM 992 N LEU A 67 3.990 2.825 4.735 1.00 0.00 N ATOM 993 CA LEU A 67 3.511 3.627 3.572 1.00 0.00 C ATOM 994 C LEU A 67 3.540 5.108 3.952 1.00 0.00 C ATOM 995 O LEU A 67 3.840 5.965 3.145 1.00 0.00 O ATOM 996 CB LEU A 67 2.073 3.230 3.228 1.00 0.00 C ATOM 997 CG LEU A 67 2.027 1.816 2.630 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.570 1.353 2.578 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.606 1.812 1.202 1.00 0.00 C ATOM 0 H LEU A 67 3.283 2.236 5.174 1.00 0.00 H new ATOM 0 HA LEU A 67 4.153 3.443 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.455 3.271 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.653 3.944 2.519 1.00 0.00 H new ATOM 0 HG LEU A 67 2.622 1.147 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.522 0.350 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.155 1.342 3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.007 2.037 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.565 0.801 0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.022 2.481 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.642 2.150 1.228 1.00 0.00 H new ATOM 1011 N SER A 68 3.217 5.409 5.180 1.00 0.00 N ATOM 1012 CA SER A 68 3.209 6.828 5.629 1.00 0.00 C ATOM 1013 C SER A 68 4.599 7.426 5.439 1.00 0.00 C ATOM 1014 O SER A 68 4.745 8.572 5.061 1.00 0.00 O ATOM 1015 CB SER A 68 2.818 6.903 7.104 1.00 0.00 C ATOM 1016 OG SER A 68 1.483 6.440 7.257 1.00 0.00 O ATOM 0 H SER A 68 2.957 4.729 5.894 1.00 0.00 H new ATOM 0 HA SER A 68 2.485 7.389 5.038 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.497 6.297 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.904 7.928 7.464 1.00 0.00 H new ATOM 0 HG SER A 68 1.449 5.476 7.084 1.00 0.00 H new ATOM 1022 N GLY A 69 5.626 6.666 5.696 1.00 0.00 N ATOM 1023 CA GLY A 69 7.003 7.209 5.524 1.00 0.00 C ATOM 1024 C GLY A 69 7.118 7.870 4.146 1.00 0.00 C ATOM 1025 O GLY A 69 7.863 8.811 3.958 1.00 0.00 O ATOM 0 H GLY A 69 5.573 5.699 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.221 7.935 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.737 6.408 5.618 1.00 0.00 H new ATOM 1029 N PHE A 70 6.375 7.389 3.182 1.00 0.00 N ATOM 1030 CA PHE A 70 6.425 7.989 1.812 1.00 0.00 C ATOM 1031 C PHE A 70 5.298 9.018 1.673 1.00 0.00 C ATOM 1032 O PHE A 70 5.171 9.685 0.665 1.00 0.00 O ATOM 1033 CB PHE A 70 6.231 6.886 0.769 1.00 0.00 C ATOM 1034 CG PHE A 70 7.412 5.945 0.795 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.521 6.195 -0.021 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.398 4.822 1.633 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.617 5.323 0.000 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.493 3.950 1.654 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.603 4.201 0.838 1.00 0.00 C ATOM 0 H PHE A 70 5.733 6.603 3.284 1.00 0.00 H new ATOM 0 HA PHE A 70 7.389 8.474 1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.312 6.337 0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.126 7.325 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.532 7.060 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.542 4.629 2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.473 5.516 -0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.482 3.084 2.299 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.448 3.529 0.855 1.00 0.00 H new ATOM 1049 N CYS A 71 4.480 9.146 2.686 1.00 0.00 N ATOM 1050 CA CYS A 71 3.346 10.124 2.650 1.00 0.00 C ATOM 1051 C CYS A 71 3.326 10.892 3.985 1.00 0.00 C ATOM 1052 O CYS A 71 2.568 10.561 4.875 1.00 0.00 O ATOM 1053 CB CYS A 71 2.031 9.357 2.479 1.00 0.00 C ATOM 1054 SG CYS A 71 0.701 10.513 2.067 1.00 0.00 S ATOM 0 H CYS A 71 4.549 8.608 3.550 1.00 0.00 H new ATOM 0 HA CYS A 71 3.468 10.821 1.821 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.134 8.610 1.692 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.789 8.821 3.397 1.00 0.00 H new ATOM 1059 N PRO A 72 4.175 11.889 4.143 1.00 0.00 N ATOM 1060 CA PRO A 72 4.247 12.660 5.423 1.00 0.00 C ATOM 1061 C PRO A 72 2.889 13.159 5.948 1.00 0.00 C ATOM 1062 O PRO A 72 2.750 13.436 7.123 1.00 0.00 O ATOM 1063 CB PRO A 72 5.167 13.830 5.038 1.00 0.00 C ATOM 1064 CG PRO A 72 5.939 13.417 3.778 1.00 0.00 C ATOM 1065 CD PRO A 72 5.123 12.325 3.070 1.00 0.00 C ATOM 0 HA PRO A 72 4.605 12.045 6.249 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.583 14.731 4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.856 14.059 5.851 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.084 14.274 3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.929 13.045 4.040 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.598 12.712 2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.753 11.505 2.726 1.00 0.00 H new ATOM 1073 N HIS A 73 1.890 13.283 5.108 1.00 0.00 N ATOM 1074 CA HIS A 73 0.560 13.773 5.604 1.00 0.00 C ATOM 1075 C HIS A 73 -0.327 12.571 5.964 1.00 0.00 C ATOM 1076 O HIS A 73 -0.674 11.765 5.123 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.105 14.661 4.525 1.00 0.00 C ATOM 1078 CG HIS A 73 -0.934 13.842 3.568 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.288 13.629 3.766 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.617 13.189 2.406 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.733 12.874 2.745 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.754 12.577 1.886 1.00 0.00 N ATOM 0 H HIS A 73 1.934 13.070 4.112 1.00 0.00 H new ATOM 0 HA HIS A 73 0.697 14.377 6.501 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.736 15.409 5.006 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.664 15.200 3.972 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -2.846 13.980 4.544 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.366 13.154 1.961 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.757 12.548 2.634 1.00 0.00 H new ATOM 1090 N LYS A 74 -0.688 12.446 7.213 1.00 0.00 N ATOM 1091 CA LYS A 74 -1.543 11.301 7.633 1.00 0.00 C ATOM 1092 C LYS A 74 -2.993 11.570 7.225 1.00 0.00 C ATOM 1093 O LYS A 74 -3.507 12.656 7.410 1.00 0.00 O ATOM 1094 CB LYS A 74 -1.454 11.134 9.151 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.014 10.788 9.538 1.00 0.00 C ATOM 1096 CD LYS A 74 0.081 10.621 11.055 1.00 0.00 C ATOM 1097 CE LYS A 74 1.520 10.275 11.442 1.00 0.00 C ATOM 1098 NZ LYS A 74 2.436 11.345 10.956 1.00 0.00 N ATOM 0 H LYS A 74 -0.427 13.089 7.961 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.198 10.388 7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.766 12.052 9.648 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.131 10.347 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.297 9.869 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.662 11.575 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.230 11.540 11.553 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.595 9.834 11.388 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.603 10.175 12.524 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.803 9.315 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.336 11.293 11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.614 11.215 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.998 12.275 11.115 1.00 0.00 H new ATOM 1112 N VAL A 75 -3.654 10.585 6.664 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.076 10.763 6.225 1.00 0.00 C ATOM 1114 C VAL A 75 -5.989 9.854 7.054 1.00 0.00 C ATOM 1115 O VAL A 75 -5.747 8.674 7.194 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.181 10.402 4.739 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -5.030 8.888 4.553 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -6.539 10.860 4.198 1.00 0.00 C ATOM 0 H VAL A 75 -3.266 9.658 6.490 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.386 11.797 6.373 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.384 10.904 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.106 8.642 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.058 8.570 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.818 8.374 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.615 10.604 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.337 10.363 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.633 11.939 4.317 1.00 0.00 H new ATOM 1128 N SER A 76 -7.042 10.402 7.603 1.00 0.00 N ATOM 1129 CA SER A 76 -7.981 9.580 8.425 1.00 0.00 C ATOM 1130 C SER A 76 -9.130 9.093 7.541 1.00 0.00 C ATOM 1131 O SER A 76 -9.251 9.482 6.396 1.00 0.00 O ATOM 1132 CB SER A 76 -8.542 10.430 9.565 1.00 0.00 C ATOM 1133 OG SER A 76 -9.292 11.508 9.024 1.00 0.00 O ATOM 0 H SER A 76 -7.293 11.387 7.517 1.00 0.00 H new ATOM 0 HA SER A 76 -7.449 8.724 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.174 9.821 10.211 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.729 10.812 10.183 1.00 0.00 H new ATOM 0 HG SER A 76 -9.654 12.053 9.753 1.00 0.00 H new ATOM 1139 N ALA A 77 -9.971 8.240 8.056 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.104 7.727 7.234 1.00 0.00 C ATOM 1141 C ALA A 77 -11.991 8.891 6.788 1.00 0.00 C ATOM 1142 O ALA A 77 -12.430 8.944 5.665 1.00 0.00 O ATOM 1143 CB ALA A 77 -11.936 6.747 8.065 1.00 0.00 C ATOM 0 H ALA A 77 -9.924 7.876 9.008 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.706 7.218 6.356 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.764 6.372 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.309 5.913 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.328 7.257 8.945 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.257 9.823 7.654 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.119 10.975 7.266 1.00 0.00 C ATOM 1151 C GLY A 78 -12.483 11.738 6.101 1.00 0.00 C ATOM 1152 O GLY A 78 -13.163 12.192 5.202 1.00 0.00 O ATOM 0 H GLY A 78 -11.916 9.840 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.109 10.619 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.253 11.642 8.118 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.187 11.898 6.115 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.510 12.649 5.016 1.00 0.00 C ATOM 1158 C GLN A 79 -10.165 11.701 3.861 1.00 0.00 C ATOM 1159 O GLN A 79 -9.644 10.623 4.066 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.225 13.275 5.561 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.584 14.392 6.542 1.00 0.00 C ATOM 1162 CD GLN A 79 -8.314 14.916 7.213 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -7.300 14.247 7.230 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -8.328 16.094 7.773 1.00 0.00 N ATOM 0 H GLN A 79 -10.566 11.541 6.841 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.178 13.427 4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.621 12.517 6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.625 13.673 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.090 15.202 6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.277 14.019 7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.179 16.655 7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.487 16.454 8.225 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.449 12.107 2.644 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.140 11.252 1.449 1.00 0.00 C ATOM 1175 C PHE A 80 -9.384 12.087 0.415 1.00 0.00 C ATOM 1176 O PHE A 80 -9.531 13.292 0.360 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.440 10.747 0.828 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.088 9.749 1.754 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.642 8.420 1.775 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.136 10.150 2.591 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.249 7.496 2.631 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.743 9.224 3.445 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.301 7.896 3.463 1.00 0.00 C ATOM 0 H PHE A 80 -10.886 13.002 2.425 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.531 10.403 1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.116 11.582 0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.238 10.284 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.832 8.111 1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.476 11.175 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.906 6.472 2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.552 9.533 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.772 7.179 4.119 1.00 0.00 H new ATOM 1193 N SER A 81 -8.563 11.457 -0.397 1.00 0.00 N ATOM 1194 CA SER A 81 -7.778 12.214 -1.429 1.00 0.00 C ATOM 1195 C SER A 81 -8.064 11.695 -2.849 1.00 0.00 C ATOM 1196 O SER A 81 -8.313 12.469 -3.752 1.00 0.00 O ATOM 1197 CB SER A 81 -6.288 12.048 -1.136 1.00 0.00 C ATOM 1198 OG SER A 81 -6.002 12.569 0.156 1.00 0.00 O ATOM 0 H SER A 81 -8.403 10.450 -0.389 1.00 0.00 H new ATOM 0 HA SER A 81 -8.072 13.262 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.011 10.995 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.697 12.569 -1.890 1.00 0.00 H new ATOM 0 HG SER A 81 -5.047 12.462 0.348 1.00 0.00 H new ATOM 1204 N SER A 82 -7.985 10.400 -3.068 1.00 0.00 N ATOM 1205 CA SER A 82 -8.202 9.841 -4.450 1.00 0.00 C ATOM 1206 C SER A 82 -9.556 9.127 -4.585 1.00 0.00 C ATOM 1207 O SER A 82 -9.875 8.610 -5.638 1.00 0.00 O ATOM 1208 CB SER A 82 -7.086 8.841 -4.754 1.00 0.00 C ATOM 1209 OG SER A 82 -7.030 8.614 -6.157 1.00 0.00 O ATOM 0 H SER A 82 -7.780 9.704 -2.351 1.00 0.00 H new ATOM 0 HA SER A 82 -8.194 10.674 -5.153 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.130 9.225 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.269 7.903 -4.229 1.00 0.00 H new ATOM 0 HG SER A 82 -7.940 8.542 -6.513 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.352 9.070 -3.555 1.00 0.00 N ATOM 1216 CA LEU A 83 -11.666 8.360 -3.682 1.00 0.00 C ATOM 1217 C LEU A 83 -12.729 9.323 -4.229 1.00 0.00 C ATOM 1218 O LEU A 83 -13.914 9.103 -4.073 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.097 7.812 -2.310 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.402 6.468 -2.035 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -9.904 6.697 -1.820 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.006 5.827 -0.780 1.00 0.00 C ATOM 0 H LEU A 83 -10.159 9.477 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.559 7.526 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.844 8.528 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.179 7.682 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.547 5.806 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.414 5.743 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.473 7.150 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.756 7.361 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.513 4.874 -0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.863 6.491 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.072 5.659 -0.934 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.318 10.376 -4.885 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.313 11.329 -5.455 1.00 0.00 C ATOM 1236 C HIS A 84 -13.916 10.706 -6.713 1.00 0.00 C ATOM 1237 O HIS A 84 -15.098 10.818 -6.974 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.626 12.644 -5.828 1.00 0.00 C ATOM 1239 CG HIS A 84 -11.763 13.104 -4.689 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -11.832 12.530 -3.430 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -10.806 14.083 -4.604 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -10.938 13.162 -2.649 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.285 14.118 -3.315 1.00 0.00 N ATOM 0 H HIS A 84 -11.340 10.616 -5.050 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.090 11.531 -4.718 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.020 12.508 -6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.373 13.403 -6.061 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.503 14.729 -5.415 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.769 12.925 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.561 14.740 -2.956 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.107 10.041 -7.488 1.00 0.00 N ATOM 1252 CA VAL A 85 -13.618 9.395 -8.726 1.00 0.00 C ATOM 1253 C VAL A 85 -14.430 8.162 -8.329 1.00 0.00 C ATOM 1254 O VAL A 85 -14.199 7.565 -7.297 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.439 8.982 -9.615 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -11.710 10.232 -10.112 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.466 8.118 -8.808 1.00 0.00 C ATOM 0 H VAL A 85 -12.109 9.917 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.248 10.090 -9.281 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.813 8.413 -10.467 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.872 9.937 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.399 10.850 -10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.339 10.800 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.628 7.825 -9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.095 8.687 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.981 7.226 -8.452 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.393 7.784 -9.126 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.231 6.599 -8.774 1.00 0.00 C ATOM 1269 C ARG A 86 -15.604 5.331 -9.350 1.00 0.00 C ATOM 1270 O ARG A 86 -16.097 4.754 -10.298 1.00 0.00 O ATOM 1271 CB ARG A 86 -17.632 6.782 -9.360 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.359 7.896 -8.606 1.00 0.00 C ATOM 1273 CD ARG A 86 -19.757 8.083 -9.198 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.543 6.828 -9.028 1.00 0.00 N ATOM 1275 CZ ARG A 86 -21.835 6.836 -9.215 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.437 7.941 -9.565 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -22.526 5.741 -9.059 1.00 0.00 N ATOM 0 H ARG A 86 -15.636 8.243 -10.004 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.292 6.509 -7.689 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -17.565 7.029 -10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.194 5.851 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.431 7.647 -7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -17.795 8.826 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.264 8.912 -8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -19.684 8.338 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.071 5.963 -8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -21.898 8.797 -9.692 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.446 7.948 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.057 4.876 -8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -23.535 5.750 -9.206 1.00 0.00 H new ATOM 1291 N ASP A 87 -14.522 4.887 -8.769 1.00 0.00 N ATOM 1292 CA ASP A 87 -13.857 3.648 -9.260 1.00 0.00 C ATOM 1293 C ASP A 87 -14.558 2.429 -8.659 1.00 0.00 C ATOM 1294 O ASP A 87 -15.379 2.547 -7.772 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.385 3.647 -8.838 1.00 0.00 C ATOM 1296 CG ASP A 87 -11.615 4.685 -9.655 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.104 5.065 -10.706 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -10.547 5.081 -9.216 1.00 0.00 O ATOM 0 H ASP A 87 -14.069 5.332 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.918 3.611 -10.348 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.301 3.872 -7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.954 2.658 -8.990 1.00 0.00 H new ATOM 1303 N THR A 88 -14.240 1.257 -9.137 1.00 0.00 N ATOM 1304 CA THR A 88 -14.883 0.022 -8.600 1.00 0.00 C ATOM 1305 C THR A 88 -14.014 -0.550 -7.478 1.00 0.00 C ATOM 1306 O THR A 88 -12.812 -0.369 -7.460 1.00 0.00 O ATOM 1307 CB THR A 88 -15.007 -1.006 -9.728 1.00 0.00 C ATOM 1308 OG1 THR A 88 -15.598 -0.389 -10.862 1.00 0.00 O ATOM 1309 CG2 THR A 88 -15.881 -2.173 -9.269 1.00 0.00 C ATOM 0 H THR A 88 -13.559 1.100 -9.880 1.00 0.00 H new ATOM 0 HA THR A 88 -15.873 0.257 -8.208 1.00 0.00 H new ATOM 0 HB THR A 88 -14.017 -1.380 -9.988 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.677 -1.044 -11.587 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.967 -2.902 -10.075 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.428 -2.646 -8.398 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.873 -1.804 -9.007 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.608 -1.234 -6.535 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.803 -1.805 -5.415 1.00 0.00 C ATOM 1319 C LYS A 89 -13.205 -3.144 -5.839 1.00 0.00 C ATOM 1320 O LYS A 89 -13.739 -3.837 -6.683 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.689 -2.050 -4.192 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.280 -0.737 -3.681 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.156 -1.042 -2.460 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.774 0.246 -1.908 1.00 0.00 C ATOM 1325 NZ LYS A 89 -15.817 0.889 -0.964 1.00 0.00 N ATOM 0 H LYS A 89 -15.610 -1.421 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.015 -1.094 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.492 -2.740 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.105 -2.523 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.484 -0.042 -3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.871 -0.258 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.945 -1.741 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.558 -1.525 -1.688 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.010 0.928 -2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.711 0.023 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.260 0.978 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.960 0.305 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.562 1.833 -1.318 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.099 -3.512 -5.245 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.441 -4.811 -5.580 1.00 0.00 C ATOM 1341 C ILE A 90 -11.030 -5.514 -4.282 1.00 0.00 C ATOM 1342 O ILE A 90 -10.910 -4.896 -3.243 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.209 -4.541 -6.450 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.254 -3.583 -5.724 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.653 -3.911 -7.772 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.959 -3.445 -6.528 1.00 0.00 C ATOM 0 H ILE A 90 -11.618 -2.961 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.131 -5.452 -6.130 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.693 -5.481 -6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.724 -2.607 -5.602 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.035 -3.959 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.779 -3.717 -8.394 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.325 -4.593 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.171 -2.973 -7.572 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.281 -2.765 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.486 -4.422 -6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.186 -3.050 -7.518 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.814 -6.800 -4.331 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.415 -7.538 -3.098 1.00 0.00 C ATOM 1360 C GLU A 91 -9.036 -7.057 -2.637 1.00 0.00 C ATOM 1361 O GLU A 91 -8.200 -6.681 -3.435 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.371 -9.037 -3.398 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.798 -9.550 -3.608 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.764 -11.034 -3.975 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.678 -11.548 -4.186 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.826 -11.631 -4.042 1.00 0.00 O ATOM 0 H GLU A 91 -10.896 -7.372 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.140 -7.350 -2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.770 -9.225 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.897 -9.571 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.385 -9.403 -2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.286 -8.981 -4.399 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.798 -7.049 -1.352 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.479 -6.573 -0.841 1.00 0.00 C ATOM 1375 C VAL A 92 -6.346 -7.414 -1.446 1.00 0.00 C ATOM 1376 O VAL A 92 -5.309 -6.897 -1.810 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.452 -6.701 0.689 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -6.031 -6.453 1.210 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.409 -5.674 1.307 1.00 0.00 C ATOM 0 H VAL A 92 -9.458 -7.351 -0.636 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.338 -5.530 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.765 -7.707 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.020 -6.546 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.351 -7.187 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.710 -5.450 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.389 -5.766 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.098 -4.669 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.421 -5.856 0.946 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.527 -8.701 -1.549 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.448 -9.559 -2.122 1.00 0.00 C ATOM 1391 C ALA A 93 -5.015 -9.010 -3.484 1.00 0.00 C ATOM 1392 O ALA A 93 -3.844 -8.992 -3.814 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.966 -10.988 -2.290 1.00 0.00 C ATOM 0 H ALA A 93 -7.372 -9.196 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.593 -9.558 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.178 -11.614 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.266 -11.383 -1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.824 -10.987 -2.962 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.947 -8.560 -4.276 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.588 -8.013 -5.615 1.00 0.00 C ATOM 1401 C GLN A 94 -4.952 -6.637 -5.425 1.00 0.00 C ATOM 1402 O GLN A 94 -4.048 -6.250 -6.139 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.852 -7.873 -6.468 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.406 -9.261 -6.798 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.669 -9.120 -7.650 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.439 -8.198 -7.469 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -8.917 -10.004 -8.579 1.00 0.00 N ATOM 0 H GLN A 94 -6.943 -8.547 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.890 -8.684 -6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.601 -7.289 -5.933 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.624 -7.333 -7.387 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.657 -9.845 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.634 -9.801 -5.879 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.271 -10.778 -8.732 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.757 -9.920 -9.152 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.423 -5.899 -4.460 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.859 -4.545 -4.203 1.00 0.00 C ATOM 1418 C PHE A 95 -3.369 -4.655 -3.874 1.00 0.00 C ATOM 1419 O PHE A 95 -2.548 -3.957 -4.433 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.588 -3.923 -3.012 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.974 -2.586 -2.682 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.880 -2.517 -1.812 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.497 -1.417 -3.244 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.309 -1.279 -1.502 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.927 -0.178 -2.933 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.832 -0.110 -2.063 1.00 0.00 C ATOM 0 H PHE A 95 -6.179 -6.177 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.987 -3.925 -5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.646 -3.801 -3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.526 -4.586 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.477 -3.421 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.340 -1.471 -3.917 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.465 -1.226 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.331 0.726 -3.364 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.391 0.847 -1.825 1.00 0.00 H new ATOM 1436 N VAL A 96 -3.013 -5.518 -2.962 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.576 -5.655 -2.591 1.00 0.00 C ATOM 1438 C VAL A 96 -0.760 -6.093 -3.809 1.00 0.00 C ATOM 1439 O VAL A 96 0.281 -5.537 -4.099 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.426 -6.707 -1.490 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.060 -6.897 -1.162 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.175 -6.251 -0.237 1.00 0.00 C ATOM 0 H VAL A 96 -3.653 -6.133 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.212 -4.691 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.844 -7.653 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.167 -7.646 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.590 -7.228 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.481 -5.952 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.066 -7.002 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.762 -5.304 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.232 -6.122 -0.472 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.211 -7.095 -4.515 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.440 -7.572 -5.699 1.00 0.00 C ATOM 1454 C LYS A 97 -0.300 -6.441 -6.722 1.00 0.00 C ATOM 1455 O LYS A 97 0.765 -6.210 -7.258 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.162 -8.766 -6.329 1.00 0.00 C ATOM 1457 CG LYS A 97 -1.046 -9.969 -5.387 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.760 -11.179 -5.992 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.634 -12.371 -5.039 1.00 0.00 C ATOM 1460 NZ LYS A 97 -2.317 -13.555 -5.632 1.00 0.00 N ATOM 0 H LYS A 97 -2.076 -7.602 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 97 0.556 -7.881 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.210 -8.523 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.724 -9.003 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.004 -10.205 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.482 -9.726 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.811 -10.947 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.325 -11.426 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.583 -12.597 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.078 -12.127 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.232 -14.365 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.323 -13.336 -5.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.874 -13.791 -6.543 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.353 -5.719 -6.991 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.236 -4.605 -7.974 1.00 0.00 C ATOM 1476 C ASP A 98 -0.199 -3.610 -7.458 1.00 0.00 C ATOM 1477 O ASP A 98 0.608 -3.087 -8.201 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.588 -3.905 -8.125 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.563 -4.836 -8.850 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.113 -5.579 -9.708 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.742 -4.785 -8.542 1.00 0.00 O ATOM 0 H ASP A 98 -2.277 -5.849 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.930 -4.996 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.983 -3.638 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.469 -2.977 -8.685 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.211 -3.363 -6.180 1.00 0.00 N ATOM 1487 CA LEU A 99 0.769 -2.420 -5.581 1.00 0.00 C ATOM 1488 C LEU A 99 2.190 -2.969 -5.784 1.00 0.00 C ATOM 1489 O LEU A 99 3.121 -2.230 -6.034 1.00 0.00 O ATOM 1490 CB LEU A 99 0.465 -2.269 -4.082 1.00 0.00 C ATOM 1491 CG LEU A 99 1.459 -1.300 -3.425 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.319 0.105 -4.035 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.174 -1.237 -1.920 1.00 0.00 C ATOM 0 H LEU A 99 -0.866 -3.779 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 99 0.695 -1.444 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.552 -1.902 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.521 -3.242 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 99 2.475 -1.656 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.030 0.781 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.522 0.059 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.306 0.472 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.875 -0.551 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.155 -0.885 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.288 -2.230 -1.486 1.00 0.00 H new ATOM 1505 N LEU A 100 2.359 -4.259 -5.652 1.00 0.00 N ATOM 1506 CA LEU A 100 3.717 -4.872 -5.807 1.00 0.00 C ATOM 1507 C LEU A 100 4.322 -4.538 -7.177 1.00 0.00 C ATOM 1508 O LEU A 100 5.490 -4.222 -7.278 1.00 0.00 O ATOM 1509 CB LEU A 100 3.598 -6.397 -5.652 1.00 0.00 C ATOM 1510 CG LEU A 100 4.938 -7.083 -5.974 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.065 -6.469 -5.133 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.824 -8.579 -5.656 1.00 0.00 C ATOM 0 H LEU A 100 1.611 -4.920 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 100 4.375 -4.465 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.294 -6.641 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.821 -6.776 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 100 5.168 -6.941 -7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.007 -6.963 -5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.147 -5.405 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.843 -6.602 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.770 -9.072 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.590 -8.710 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.032 -9.020 -6.261 1.00 0.00 H new ATOM 1524 N LEU A 101 3.564 -4.615 -8.234 1.00 0.00 N ATOM 1525 CA LEU A 101 4.163 -4.310 -9.571 1.00 0.00 C ATOM 1526 C LEU A 101 4.700 -2.869 -9.592 1.00 0.00 C ATOM 1527 O LEU A 101 5.787 -2.615 -10.070 1.00 0.00 O ATOM 1528 CB LEU A 101 3.102 -4.482 -10.676 1.00 0.00 C ATOM 1529 CG LEU A 101 2.913 -5.971 -11.044 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.086 -6.480 -11.896 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.800 -6.818 -9.774 1.00 0.00 C ATOM 0 H LEU A 101 2.576 -4.870 -8.237 1.00 0.00 H new ATOM 0 HA LEU A 101 4.986 -5.002 -9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.153 -4.065 -10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.401 -3.921 -11.561 1.00 0.00 H new ATOM 0 HG LEU A 101 1.995 -6.060 -11.625 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.929 -7.530 -12.141 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.147 -5.898 -12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.015 -6.374 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.667 -7.865 -10.046 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.709 -6.709 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.944 -6.484 -9.189 1.00 0.00 H new ATOM 1543 N HIS A 102 3.952 -1.926 -9.093 1.00 0.00 N ATOM 1544 CA HIS A 102 4.431 -0.510 -9.103 1.00 0.00 C ATOM 1545 C HIS A 102 5.591 -0.294 -8.122 1.00 0.00 C ATOM 1546 O HIS A 102 6.511 0.440 -8.408 1.00 0.00 O ATOM 1547 CB HIS A 102 3.273 0.435 -8.754 1.00 0.00 C ATOM 1548 CG HIS A 102 2.412 0.622 -9.971 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.660 1.619 -10.900 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.330 -0.071 -10.440 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.747 1.497 -11.878 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.908 0.481 -11.647 1.00 0.00 N ATOM 0 H HIS A 102 3.031 -2.071 -8.679 1.00 0.00 H new ATOM 0 HA HIS A 102 4.797 -0.291 -10.106 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.684 0.022 -7.935 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.660 1.396 -8.415 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.873 -0.917 -9.949 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.697 2.140 -12.744 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.128 0.176 -12.229 1.00 0.00 H new ATOM 1560 N LEU A 103 5.554 -0.881 -6.961 1.00 0.00 N ATOM 1561 CA LEU A 103 6.665 -0.627 -5.992 1.00 0.00 C ATOM 1562 C LEU A 103 8.004 -1.025 -6.615 1.00 0.00 C ATOM 1563 O LEU A 103 8.945 -0.258 -6.618 1.00 0.00 O ATOM 1564 CB LEU A 103 6.451 -1.459 -4.724 1.00 0.00 C ATOM 1565 CG LEU A 103 5.253 -0.925 -3.931 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.957 -1.890 -2.776 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.551 0.483 -3.372 1.00 0.00 C ATOM 0 H LEU A 103 4.821 -1.514 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 103 6.673 0.434 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.283 -2.503 -4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.348 -1.428 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 103 4.389 -0.853 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.106 -1.522 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.725 -2.877 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.830 -1.958 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.687 0.843 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.417 0.437 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.759 1.165 -4.196 1.00 0.00 H new ATOM 1579 N LYS A 104 8.101 -2.207 -7.146 1.00 0.00 N ATOM 1580 CA LYS A 104 9.386 -2.639 -7.765 1.00 0.00 C ATOM 1581 C LYS A 104 9.667 -1.827 -9.036 1.00 0.00 C ATOM 1582 O LYS A 104 10.803 -1.655 -9.432 1.00 0.00 O ATOM 1583 CB LYS A 104 9.307 -4.125 -8.107 1.00 0.00 C ATOM 1584 CG LYS A 104 8.158 -4.362 -9.084 1.00 0.00 C ATOM 1585 CD LYS A 104 7.837 -5.858 -9.147 1.00 0.00 C ATOM 1586 CE LYS A 104 9.094 -6.652 -9.526 1.00 0.00 C ATOM 1587 NZ LYS A 104 9.875 -6.969 -8.297 1.00 0.00 N ATOM 0 H LYS A 104 7.349 -2.895 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 104 10.197 -2.468 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.247 -4.458 -8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.154 -4.710 -7.200 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.277 -3.804 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.428 -3.996 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.460 -6.198 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.049 -6.038 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.814 -7.572 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.706 -6.075 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.755 -6.414 -8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.311 -6.731 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.105 -7.983 -8.284 1.00 0.00 H new ATOM 1601 N LYS A 105 8.646 -1.340 -9.691 1.00 0.00 N ATOM 1602 CA LYS A 105 8.870 -0.561 -10.947 1.00 0.00 C ATOM 1603 C LYS A 105 9.674 0.711 -10.643 1.00 0.00 C ATOM 1604 O LYS A 105 10.625 1.029 -11.329 1.00 0.00 O ATOM 1605 CB LYS A 105 7.515 -0.179 -11.555 1.00 0.00 C ATOM 1606 CG LYS A 105 7.728 0.560 -12.881 1.00 0.00 C ATOM 1607 CD LYS A 105 6.373 0.936 -13.482 1.00 0.00 C ATOM 1608 CE LYS A 105 6.589 1.822 -14.711 1.00 0.00 C ATOM 1609 NZ LYS A 105 7.262 1.035 -15.783 1.00 0.00 N ATOM 0 H LYS A 105 7.670 -1.447 -9.413 1.00 0.00 H new ATOM 0 HA LYS A 105 9.431 -1.173 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.915 -1.074 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.961 0.453 -10.861 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.326 1.457 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.283 -0.071 -13.576 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.824 0.036 -13.761 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.768 1.462 -12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.633 2.202 -15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.196 2.687 -14.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.226 1.565 -16.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.254 0.867 -15.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.776 0.123 -15.901 1.00 0.00 H new ATOM 1623 N LEU A 106 9.305 1.440 -9.626 1.00 0.00 N ATOM 1624 CA LEU A 106 10.056 2.685 -9.291 1.00 0.00 C ATOM 1625 C LEU A 106 11.509 2.331 -8.956 1.00 0.00 C ATOM 1626 O LEU A 106 12.413 3.113 -9.177 1.00 0.00 O ATOM 1627 CB LEU A 106 9.394 3.395 -8.090 1.00 0.00 C ATOM 1628 CG LEU A 106 8.172 4.241 -8.524 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.633 5.599 -9.090 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.330 3.495 -9.574 1.00 0.00 C ATOM 0 H LEU A 106 8.518 1.229 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 106 10.038 3.358 -10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.080 2.652 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.125 4.038 -7.600 1.00 0.00 H new ATOM 0 HG LEU A 106 7.553 4.413 -7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.763 6.182 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.187 6.143 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.275 5.434 -9.955 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.478 4.111 -9.862 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.942 3.289 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.972 2.555 -9.153 1.00 0.00 H new ATOM 1642 N PHE A 107 11.745 1.162 -8.425 1.00 0.00 N ATOM 1643 CA PHE A 107 13.143 0.775 -8.082 1.00 0.00 C ATOM 1644 C PHE A 107 13.995 0.791 -9.351 1.00 0.00 C ATOM 1645 O PHE A 107 15.138 1.205 -9.343 1.00 0.00 O ATOM 1646 CB PHE A 107 13.173 -0.634 -7.486 1.00 0.00 C ATOM 1647 CG PHE A 107 14.602 -0.970 -7.131 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.206 -0.340 -6.039 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.327 -1.893 -7.896 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.532 -0.627 -5.708 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.657 -2.185 -7.562 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.259 -1.550 -6.468 1.00 0.00 C ATOM 0 H PHE A 107 11.034 0.461 -8.215 1.00 0.00 H new ATOM 0 HA PHE A 107 13.536 1.483 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.540 -0.685 -6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.780 -1.357 -8.201 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.646 0.371 -5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.862 -2.379 -8.741 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.996 -0.137 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.217 -2.899 -8.148 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.284 -1.773 -6.211 1.00 0.00 H new ATOM 1662 N ARG A 108 13.447 0.329 -10.438 1.00 0.00 N ATOM 1663 CA ARG A 108 14.214 0.294 -11.714 1.00 0.00 C ATOM 1664 C ARG A 108 14.643 1.710 -12.111 1.00 0.00 C ATOM 1665 O ARG A 108 15.728 1.917 -12.617 1.00 0.00 O ATOM 1666 CB ARG A 108 13.325 -0.287 -12.815 1.00 0.00 C ATOM 1667 CG ARG A 108 13.101 -1.779 -12.563 1.00 0.00 C ATOM 1668 CD ARG A 108 12.209 -2.352 -13.667 1.00 0.00 C ATOM 1669 NE ARG A 108 12.955 -2.353 -14.957 1.00 0.00 N ATOM 1670 CZ ARG A 108 12.497 -3.028 -15.976 1.00 0.00 C ATOM 1671 NH1 ARG A 108 11.374 -3.685 -15.873 1.00 0.00 N ATOM 1672 NH2 ARG A 108 13.158 -3.039 -17.101 1.00 0.00 N ATOM 0 H ARG A 108 12.494 -0.029 -10.499 1.00 0.00 H new ATOM 0 HA ARG A 108 15.102 -0.324 -11.581 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.369 0.236 -12.837 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.792 -0.139 -13.789 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.056 -2.303 -12.543 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.635 -1.929 -11.589 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.902 -3.366 -13.411 1.00 0.00 H new ATOM 0 HD3 ARG A 108 11.300 -1.757 -13.760 1.00 0.00 H new ATOM 0 HE ARG A 108 13.824 -1.826 -15.044 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.854 -3.671 -14.996 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.017 -4.212 -16.670 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.032 -2.520 -17.184 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.800 -3.566 -17.897 1.00 0.00 H new ATOM 1686 N GLU A 109 13.796 2.685 -11.909 1.00 0.00 N ATOM 1687 CA GLU A 109 14.158 4.080 -12.302 1.00 0.00 C ATOM 1688 C GLU A 109 14.961 4.763 -11.188 1.00 0.00 C ATOM 1689 O GLU A 109 15.538 5.813 -11.390 1.00 0.00 O ATOM 1690 CB GLU A 109 12.873 4.875 -12.552 1.00 0.00 C ATOM 1691 CG GLU A 109 12.169 4.330 -13.796 1.00 0.00 C ATOM 1692 CD GLU A 109 10.862 5.093 -14.019 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.533 5.922 -13.187 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.210 4.831 -15.017 1.00 0.00 O ATOM 0 H GLU A 109 12.872 2.577 -11.490 1.00 0.00 H new ATOM 0 HA GLU A 109 14.768 4.047 -13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.214 4.802 -11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.107 5.931 -12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.816 4.433 -14.667 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.965 3.266 -13.675 1.00 0.00 H new ATOM 1701 N GLY A 110 15.005 4.190 -10.016 1.00 0.00 N ATOM 1702 CA GLY A 110 15.774 4.830 -8.913 1.00 0.00 C ATOM 1703 C GLY A 110 15.059 6.114 -8.491 1.00 0.00 C ATOM 1704 O GLY A 110 15.483 6.805 -7.587 1.00 0.00 O ATOM 0 H GLY A 110 14.545 3.312 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.856 4.149 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.789 5.054 -9.242 1.00 0.00 H new ATOM 1708 N ARG A 111 13.962 6.429 -9.134 1.00 0.00 N ATOM 1709 CA ARG A 111 13.199 7.659 -8.766 1.00 0.00 C ATOM 1710 C ARG A 111 12.106 7.248 -7.785 1.00 0.00 C ATOM 1711 O ARG A 111 11.088 6.701 -8.161 1.00 0.00 O ATOM 1712 CB ARG A 111 12.567 8.273 -10.020 1.00 0.00 C ATOM 1713 CG ARG A 111 13.664 8.859 -10.913 1.00 0.00 C ATOM 1714 CD ARG A 111 13.024 9.488 -12.153 1.00 0.00 C ATOM 1715 NE ARG A 111 14.074 9.761 -13.191 1.00 0.00 N ATOM 1716 CZ ARG A 111 15.126 10.494 -12.933 1.00 0.00 C ATOM 1717 NH1 ARG A 111 15.213 11.165 -11.817 1.00 0.00 N ATOM 1718 NH2 ARG A 111 16.074 10.598 -13.823 1.00 0.00 N ATOM 0 H ARG A 111 13.562 5.886 -9.899 1.00 0.00 H new ATOM 0 HA ARG A 111 13.860 8.399 -8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 111 12.006 7.514 -10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.858 9.052 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 111 14.234 9.608 -10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 111 14.365 8.078 -11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.265 8.820 -12.559 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.520 10.415 -11.881 1.00 0.00 H new ATOM 0 HE ARG A 111 13.964 9.364 -14.124 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.456 11.121 -11.135 1.00 0.00 H new ATOM 0 HH12 ARG A 111 16.038 11.733 -11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 111 15.992 10.109 -14.714 1.00 0.00 H new ATOM 0 HH22 ARG A 111 16.897 11.168 -13.627 1.00 0.00 H new ATOM 1732 N PHE A 112 12.331 7.472 -6.522 1.00 0.00 N ATOM 1733 CA PHE A 112 11.339 7.061 -5.488 1.00 0.00 C ATOM 1734 C PHE A 112 10.345 8.192 -5.217 1.00 0.00 C ATOM 1735 O PHE A 112 10.721 9.307 -4.915 1.00 0.00 O ATOM 1736 CB PHE A 112 12.112 6.713 -4.221 1.00 0.00 C ATOM 1737 CG PHE A 112 13.142 5.675 -4.585 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.787 4.325 -4.616 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.448 6.063 -4.908 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.737 3.361 -4.969 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.398 5.096 -5.262 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.041 3.746 -5.292 1.00 0.00 C ATOM 0 H PHE A 112 13.168 7.927 -6.157 1.00 0.00 H new ATOM 0 HA PHE A 112 10.767 6.200 -5.832 1.00 0.00 H new ATOM 0 HB2 PHE A 112 12.592 7.601 -3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.438 6.331 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.780 4.025 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.723 7.107 -4.884 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.462 2.317 -4.992 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.406 5.394 -5.511 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.773 3.000 -5.565 1.00 0.00 H new ATOM 1752 N ASN A 113 9.074 7.906 -5.325 1.00 0.00 N ATOM 1753 CA ASN A 113 8.045 8.954 -5.076 1.00 0.00 C ATOM 1754 C ASN A 113 6.709 8.290 -4.737 1.00 0.00 C ATOM 1755 CB ASN A 113 7.886 9.819 -6.328 1.00 0.00 C ATOM 1756 CG ASN A 113 7.110 11.090 -5.975 1.00 0.00 C ATOM 1757 OD1 ASN A 113 6.543 11.190 -4.906 1.00 0.00 O ATOM 1758 ND2 ASN A 113 7.060 12.071 -6.835 1.00 0.00 N ATOM 1759 OXT ASN A 113 6.276 7.448 -5.506 1.00 0.00 O ATOM 0 H ASN A 113 8.705 6.989 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 113 8.358 9.580 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.865 10.078 -6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.360 9.262 -7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.545 12.922 -6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.536 11.987 -7.733 1.00 0.00 H new