USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 176:sc= -1.51! USER MOD Set 1.2: A 34 THR OG1 : rot 88:sc= 1.16 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -166:sc= -1.73 (180deg=-3.24) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 143:sc= -5.35! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 22 GLN : amide:sc= -5.81! K(o=-5.8!,f=-1.5) USER MOD Single : A 24 SER OG : rot 180:sc= -0.617 USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= -0.204 (180deg=-0.215) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -166:sc= -7.63! (180deg=-8.2!) USER MOD Single : A 44 SER OG : rot -59:sc= 0.415 USER MOD Single : A 45 THR OG1 : rot -143:sc= 0.962 USER MOD Single : A 55 LYS NZ :NH3+ 172:sc= 0.918 (180deg=0.768) USER MOD Single : A 56 ASN : amide:sc= -4.12! C(o=-4.1!,f=-1.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -14.6! C(o=-15!,f=-27!) USER MOD Single : A 71 LYS NZ :NH3+ 141:sc= -0.886 (180deg=-1.36) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 0.979 (180deg=0.933) USER MOD Single : A 74 SER OG : rot 85:sc= 0.855 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 7.493 13.597 4.239 1.00 0.00 N ATOM 2 CA MET A 0 8.253 12.982 3.115 1.00 0.00 C ATOM 3 C MET A 0 8.869 11.659 3.575 1.00 0.00 C ATOM 4 O MET A 0 10.066 11.469 3.510 1.00 0.00 O ATOM 5 CB MET A 0 9.368 13.933 2.671 1.00 0.00 C ATOM 6 CG MET A 0 8.826 15.362 2.609 1.00 0.00 C ATOM 7 SD MET A 0 9.547 16.221 1.188 1.00 0.00 S ATOM 8 CE MET A 0 10.335 17.563 2.110 1.00 0.00 C ATOM 0 H1 MET A 0 6.887 14.358 3.873 1.00 0.00 H new ATOM 0 H2 MET A 0 6.902 12.873 4.696 1.00 0.00 H new ATOM 0 H3 MET A 0 8.159 13.989 4.935 1.00 0.00 H new ATOM 0 HA MET A 0 7.576 12.797 2.281 1.00 0.00 H new ATOM 0 HB2 MET A 0 10.204 13.880 3.368 1.00 0.00 H new ATOM 0 HB3 MET A 0 9.748 13.634 1.694 1.00 0.00 H new ATOM 0 HG2 MET A 0 7.739 15.347 2.525 1.00 0.00 H new ATOM 0 HG3 MET A 0 9.067 15.894 3.529 1.00 0.00 H new ATOM 0 HE1 MET A 0 10.849 18.228 1.416 1.00 0.00 H new ATOM 0 HE2 MET A 0 9.576 18.124 2.655 1.00 0.00 H new ATOM 0 HE3 MET A 0 11.055 17.147 2.815 1.00 0.00 H new ATOM 18 N LYS A 1 8.057 10.745 4.034 1.00 0.00 N ATOM 19 CA LYS A 1 8.588 9.427 4.493 1.00 0.00 C ATOM 20 C LYS A 1 9.457 9.616 5.736 1.00 0.00 C ATOM 21 O LYS A 1 9.978 10.685 5.985 1.00 0.00 O ATOM 22 CB LYS A 1 9.386 8.781 3.345 1.00 0.00 C ATOM 23 CG LYS A 1 10.902 8.919 3.554 1.00 0.00 C ATOM 24 CD LYS A 1 11.599 9.038 2.196 1.00 0.00 C ATOM 25 CE LYS A 1 13.050 9.479 2.406 1.00 0.00 C ATOM 26 NZ LYS A 1 13.911 8.279 2.608 1.00 0.00 N ATOM 0 H LYS A 1 7.046 10.854 4.111 1.00 0.00 H new ATOM 0 HA LYS A 1 7.764 8.766 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.124 7.726 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 1 9.106 9.247 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 1 11.117 9.797 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 1 11.285 8.054 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 1 11.570 8.081 1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 1 11.075 9.759 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.397 10.047 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 1 13.119 10.139 3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 14.897 8.579 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 13.584 7.754 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 13.854 7.666 1.770 1.00 0.00 H new ATOM 40 N SER A 2 9.640 8.582 6.506 1.00 0.00 N ATOM 41 CA SER A 2 10.491 8.709 7.713 1.00 0.00 C ATOM 42 C SER A 2 11.697 7.799 7.507 1.00 0.00 C ATOM 43 O SER A 2 11.839 7.244 6.443 1.00 0.00 O ATOM 44 CB SER A 2 9.689 8.288 8.944 1.00 0.00 C ATOM 45 OG SER A 2 10.057 6.968 9.320 1.00 0.00 O ATOM 0 H SER A 2 9.237 7.658 6.350 1.00 0.00 H new ATOM 0 HA SER A 2 10.821 9.736 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.877 8.978 9.767 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.621 8.332 8.728 1.00 0.00 H new ATOM 0 HG SER A 2 10.063 6.896 10.297 1.00 0.00 H new ATOM 51 N PRO A 3 12.535 7.684 8.506 1.00 0.00 N ATOM 52 CA PRO A 3 13.744 6.837 8.419 1.00 0.00 C ATOM 53 C PRO A 3 13.385 5.341 8.245 1.00 0.00 C ATOM 54 O PRO A 3 13.611 4.549 9.138 1.00 0.00 O ATOM 55 CB PRO A 3 14.460 7.050 9.762 1.00 0.00 C ATOM 56 CG PRO A 3 13.635 8.072 10.585 1.00 0.00 C ATOM 57 CD PRO A 3 12.367 8.400 9.786 1.00 0.00 C ATOM 0 HA PRO A 3 14.356 7.104 7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.547 6.107 10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.473 7.419 9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.376 7.658 11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.217 8.976 10.767 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.471 8.068 10.311 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.265 9.474 9.629 1.00 0.00 H new ATOM 65 N GLU A 4 12.848 4.933 7.108 1.00 0.00 N ATOM 66 CA GLU A 4 12.516 3.499 6.910 1.00 0.00 C ATOM 67 C GLU A 4 11.219 3.146 7.636 1.00 0.00 C ATOM 68 O GLU A 4 11.141 2.144 8.318 1.00 0.00 O ATOM 69 CB GLU A 4 13.656 2.627 7.443 1.00 0.00 C ATOM 70 CG GLU A 4 15.000 3.257 7.071 1.00 0.00 C ATOM 71 CD GLU A 4 16.082 2.176 7.044 1.00 0.00 C ATOM 72 OE1 GLU A 4 16.061 1.365 6.132 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.915 2.177 7.936 1.00 0.00 O ATOM 0 H GLU A 4 12.631 5.540 6.318 1.00 0.00 H new ATOM 0 HA GLU A 4 12.383 3.315 5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.576 2.528 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.585 1.623 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.930 3.740 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.263 4.031 7.792 1.00 0.00 H new ATOM 80 N GLU A 5 10.186 3.936 7.485 1.00 0.00 N ATOM 81 CA GLU A 5 8.908 3.589 8.161 1.00 0.00 C ATOM 82 C GLU A 5 7.997 2.914 7.148 1.00 0.00 C ATOM 83 O GLU A 5 7.202 2.058 7.478 1.00 0.00 O ATOM 84 CB GLU A 5 8.232 4.835 8.690 1.00 0.00 C ATOM 85 CG GLU A 5 8.208 4.790 10.220 1.00 0.00 C ATOM 86 CD GLU A 5 6.819 5.191 10.723 1.00 0.00 C ATOM 87 OE1 GLU A 5 5.877 4.471 10.436 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.722 6.210 11.387 1.00 0.00 O ATOM 0 H GLU A 5 10.175 4.792 6.931 1.00 0.00 H new ATOM 0 HA GLU A 5 9.111 2.923 8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.764 5.723 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.216 4.904 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.457 3.788 10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.962 5.465 10.626 1.00 0.00 H new ATOM 95 N LEU A 6 8.101 3.311 5.912 1.00 0.00 N ATOM 96 CA LEU A 6 7.237 2.714 4.872 1.00 0.00 C ATOM 97 C LEU A 6 7.745 1.317 4.531 1.00 0.00 C ATOM 98 O LEU A 6 6.996 0.365 4.472 1.00 0.00 O ATOM 99 CB LEU A 6 7.296 3.546 3.596 1.00 0.00 C ATOM 100 CG LEU A 6 5.898 3.783 3.046 1.00 0.00 C ATOM 101 CD1 LEU A 6 5.959 3.874 1.525 1.00 0.00 C ATOM 102 CD2 LEU A 6 4.938 2.651 3.420 1.00 0.00 C ATOM 0 H LEU A 6 8.750 4.025 5.581 1.00 0.00 H new ATOM 0 HA LEU A 6 6.216 2.678 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.779 4.502 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.904 3.035 2.850 1.00 0.00 H new ATOM 0 HG LEU A 6 5.529 4.712 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.957 4.044 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.608 4.701 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.355 2.943 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.951 2.860 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.309 1.710 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.869 2.576 4.505 1.00 0.00 H new ATOM 114 N LYS A 7 9.018 1.197 4.285 1.00 0.00 N ATOM 115 CA LYS A 7 9.585 -0.129 3.921 1.00 0.00 C ATOM 116 C LYS A 7 9.073 -1.207 4.877 1.00 0.00 C ATOM 117 O LYS A 7 9.092 -2.381 4.565 1.00 0.00 O ATOM 118 CB LYS A 7 11.110 -0.073 3.990 1.00 0.00 C ATOM 119 CG LYS A 7 11.691 -1.046 2.965 1.00 0.00 C ATOM 120 CD LYS A 7 13.203 -0.846 2.867 1.00 0.00 C ATOM 121 CE LYS A 7 13.892 -2.211 2.838 1.00 0.00 C ATOM 122 NZ LYS A 7 14.772 -2.298 1.639 1.00 0.00 N ATOM 0 H LYS A 7 9.692 1.962 4.320 1.00 0.00 H new ATOM 0 HA LYS A 7 9.272 -0.376 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.459 0.940 3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.451 -0.334 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.468 -2.072 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.229 -0.883 1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.449 -0.282 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.560 -0.263 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.480 -2.353 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.147 -3.006 2.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.241 -3.226 1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.199 -2.181 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.491 -1.548 1.681 1.00 0.00 H new ATOM 136 N GLY A 8 8.626 -0.829 6.042 1.00 0.00 N ATOM 137 CA GLY A 8 8.130 -1.852 7.006 1.00 0.00 C ATOM 138 C GLY A 8 6.863 -2.525 6.467 1.00 0.00 C ATOM 139 O GLY A 8 6.761 -3.736 6.442 1.00 0.00 O ATOM 0 H GLY A 8 8.582 0.137 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.902 -2.602 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.919 -1.383 7.967 1.00 0.00 H new ATOM 143 N ILE A 9 5.889 -1.759 6.050 1.00 0.00 N ATOM 144 CA ILE A 9 4.633 -2.377 5.535 1.00 0.00 C ATOM 145 C ILE A 9 4.969 -3.409 4.475 1.00 0.00 C ATOM 146 O ILE A 9 4.623 -4.556 4.591 1.00 0.00 O ATOM 147 CB ILE A 9 3.702 -1.308 4.958 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.790 -1.909 3.874 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.485 -0.106 4.422 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.442 -1.807 2.504 1.00 0.00 C ATOM 0 H ILE A 9 5.909 -0.739 6.044 1.00 0.00 H new ATOM 0 HA ILE A 9 4.118 -2.866 6.362 1.00 0.00 H new ATOM 0 HB ILE A 9 3.071 -0.944 5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.581 -2.953 4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.833 -1.387 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.790 0.631 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.062 0.342 5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.161 -0.435 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.780 -2.238 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.627 -0.759 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.387 -2.350 2.509 1.00 0.00 H new ATOM 162 N PHE A 10 5.637 -3.020 3.445 1.00 0.00 N ATOM 163 CA PHE A 10 5.984 -4.011 2.400 1.00 0.00 C ATOM 164 C PHE A 10 6.348 -5.390 2.982 1.00 0.00 C ATOM 165 O PHE A 10 5.514 -6.260 3.099 1.00 0.00 O ATOM 166 CB PHE A 10 7.127 -3.474 1.549 1.00 0.00 C ATOM 167 CG PHE A 10 6.679 -3.293 0.135 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.393 -2.856 -0.193 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.571 -3.662 -0.864 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.013 -2.797 -1.543 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.201 -3.589 -2.191 1.00 0.00 C ATOM 172 CZ PHE A 10 5.933 -3.166 -2.540 1.00 0.00 C ATOM 0 H PHE A 10 5.959 -2.067 3.276 1.00 0.00 H new ATOM 0 HA PHE A 10 5.098 -4.160 1.783 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.474 -2.523 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.971 -4.163 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.700 -2.567 0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.560 -4.008 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.020 -2.470 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.906 -3.864 -2.961 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.648 -3.119 -3.581 1.00 0.00 H new ATOM 182 N GLU A 11 7.570 -5.605 3.346 1.00 0.00 N ATOM 183 CA GLU A 11 7.964 -6.939 3.906 1.00 0.00 C ATOM 184 C GLU A 11 6.902 -7.427 4.905 1.00 0.00 C ATOM 185 O GLU A 11 6.784 -8.604 5.182 1.00 0.00 O ATOM 186 CB GLU A 11 9.311 -6.813 4.625 1.00 0.00 C ATOM 187 CG GLU A 11 10.436 -6.672 3.595 1.00 0.00 C ATOM 188 CD GLU A 11 11.791 -6.840 4.289 1.00 0.00 C ATOM 189 OE1 GLU A 11 12.240 -7.968 4.402 1.00 0.00 O ATOM 190 OE2 GLU A 11 12.356 -5.837 4.692 1.00 0.00 O ATOM 0 H GLU A 11 8.324 -4.921 3.285 1.00 0.00 H new ATOM 0 HA GLU A 11 8.045 -7.656 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.301 -5.947 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.484 -7.690 5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.322 -7.421 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.381 -5.696 3.113 1.00 0.00 H new ATOM 197 N LYS A 12 6.141 -6.522 5.442 1.00 0.00 N ATOM 198 CA LYS A 12 5.079 -6.890 6.432 1.00 0.00 C ATOM 199 C LYS A 12 3.813 -7.342 5.701 1.00 0.00 C ATOM 200 O LYS A 12 3.563 -8.519 5.531 1.00 0.00 O ATOM 201 CB LYS A 12 4.752 -5.672 7.304 1.00 0.00 C ATOM 202 CG LYS A 12 3.507 -5.963 8.147 1.00 0.00 C ATOM 203 CD LYS A 12 3.820 -7.069 9.157 1.00 0.00 C ATOM 204 CE LYS A 12 4.360 -6.445 10.446 1.00 0.00 C ATOM 205 NZ LYS A 12 4.537 -7.508 11.476 1.00 0.00 N ATOM 0 H LYS A 12 6.205 -5.525 5.238 1.00 0.00 H new ATOM 0 HA LYS A 12 5.442 -7.706 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.596 -5.439 7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.582 -4.798 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.189 -5.060 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.682 -6.267 7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.921 -7.647 9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.553 -7.760 8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.311 -5.949 10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.672 -5.682 10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.904 -7.085 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.621 -7.962 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.210 -8.220 11.128 1.00 0.00 H new ATOM 219 N TYR A 13 3.009 -6.402 5.276 1.00 0.00 N ATOM 220 CA TYR A 13 1.752 -6.746 4.567 1.00 0.00 C ATOM 221 C TYR A 13 2.086 -7.188 3.141 1.00 0.00 C ATOM 222 O TYR A 13 1.488 -8.112 2.628 1.00 0.00 O ATOM 223 CB TYR A 13 0.837 -5.515 4.507 1.00 0.00 C ATOM 224 CG TYR A 13 0.709 -4.885 5.878 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.692 -3.999 6.344 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.404 -5.174 6.678 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.564 -3.408 7.606 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.531 -4.581 7.940 1.00 0.00 C ATOM 229 CZ TYR A 13 0.452 -3.699 8.405 1.00 0.00 C ATOM 230 OH TYR A 13 0.325 -3.116 9.649 1.00 0.00 O ATOM 0 H TYR A 13 3.176 -5.403 5.394 1.00 0.00 H new ATOM 0 HA TYR A 13 1.245 -7.550 5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.240 -4.788 3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.148 -5.803 4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.549 -3.773 5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.164 -5.854 6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.323 -2.728 7.963 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.389 -4.804 8.556 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.534 -3.373 10.045 1.00 0.00 H new ATOM 240 N ALA A 14 3.052 -6.577 2.495 1.00 0.00 N ATOM 241 CA ALA A 14 3.387 -7.051 1.123 1.00 0.00 C ATOM 242 C ALA A 14 3.792 -8.520 1.241 1.00 0.00 C ATOM 243 O ALA A 14 3.799 -9.257 0.278 1.00 0.00 O ATOM 244 CB ALA A 14 4.560 -6.237 0.528 1.00 0.00 C ATOM 0 H ALA A 14 3.605 -5.796 2.848 1.00 0.00 H new ATOM 0 HA ALA A 14 2.528 -6.925 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.785 -6.602 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.283 -5.184 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.440 -6.350 1.162 1.00 0.00 H new ATOM 250 N ASP A 15 4.143 -8.941 2.437 1.00 0.00 N ATOM 251 CA ASP A 15 4.576 -10.348 2.647 1.00 0.00 C ATOM 252 C ASP A 15 3.368 -11.229 2.993 1.00 0.00 C ATOM 253 O ASP A 15 3.375 -12.420 2.756 1.00 0.00 O ATOM 254 CB ASP A 15 5.585 -10.419 3.806 1.00 0.00 C ATOM 255 CG ASP A 15 5.847 -11.885 4.158 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.224 -12.630 3.267 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.668 -12.238 5.311 1.00 0.00 O ATOM 0 H ASP A 15 4.145 -8.361 3.276 1.00 0.00 H new ATOM 0 HA ASP A 15 5.040 -10.706 1.728 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.517 -9.929 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.196 -9.888 4.675 1.00 0.00 H new ATOM 262 N LYS A 16 2.338 -10.661 3.565 1.00 0.00 N ATOM 263 CA LYS A 16 1.151 -11.479 3.934 1.00 0.00 C ATOM 264 C LYS A 16 0.757 -12.376 2.766 1.00 0.00 C ATOM 265 O LYS A 16 0.402 -13.524 2.943 1.00 0.00 O ATOM 266 CB LYS A 16 -0.016 -10.553 4.275 1.00 0.00 C ATOM 267 CG LYS A 16 -0.768 -11.111 5.482 1.00 0.00 C ATOM 268 CD LYS A 16 -0.472 -10.245 6.705 1.00 0.00 C ATOM 269 CE LYS A 16 -0.630 -11.084 7.974 1.00 0.00 C ATOM 270 NZ LYS A 16 -2.080 -11.253 8.281 1.00 0.00 N ATOM 0 H LYS A 16 2.270 -9.669 3.791 1.00 0.00 H new ATOM 0 HA LYS A 16 1.396 -12.098 4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.352 -9.551 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.688 -10.467 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.840 -11.125 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.465 -12.141 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.540 -9.845 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.151 -9.392 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.160 -12.058 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.125 -10.599 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.188 -11.823 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.515 -10.320 8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.549 -11.734 7.487 1.00 0.00 H new ATOM 284 N GLU A 17 0.815 -11.865 1.573 1.00 0.00 N ATOM 285 CA GLU A 17 0.439 -12.700 0.399 1.00 0.00 C ATOM 286 C GLU A 17 1.023 -12.090 -0.873 1.00 0.00 C ATOM 287 O GLU A 17 0.546 -12.326 -1.965 1.00 0.00 O ATOM 288 CB GLU A 17 -1.084 -12.764 0.285 1.00 0.00 C ATOM 289 CG GLU A 17 -1.686 -11.435 0.744 1.00 0.00 C ATOM 290 CD GLU A 17 -3.212 -11.543 0.762 1.00 0.00 C ATOM 291 OE1 GLU A 17 -3.724 -12.279 1.590 1.00 0.00 O ATOM 292 OE2 GLU A 17 -3.842 -10.889 -0.053 1.00 0.00 O ATOM 0 H GLU A 17 1.104 -10.911 1.358 1.00 0.00 H new ATOM 0 HA GLU A 17 0.835 -13.707 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.374 -12.970 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.471 -13.581 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.317 -11.181 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.376 -10.633 0.074 1.00 0.00 H new ATOM 299 N GLY A 18 2.055 -11.311 -0.736 1.00 0.00 N ATOM 300 CA GLY A 18 2.678 -10.685 -1.930 1.00 0.00 C ATOM 301 C GLY A 18 4.196 -10.798 -1.816 1.00 0.00 C ATOM 302 O GLY A 18 4.925 -10.071 -2.463 1.00 0.00 O ATOM 0 H GLY A 18 2.495 -11.080 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.331 -11.178 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.383 -9.638 -2.003 1.00 0.00 H new ATOM 306 N ASP A 19 4.675 -11.711 -0.998 1.00 0.00 N ATOM 307 CA ASP A 19 6.146 -11.895 -0.829 1.00 0.00 C ATOM 308 C ASP A 19 6.710 -10.877 0.163 1.00 0.00 C ATOM 309 O ASP A 19 7.567 -11.177 0.970 1.00 0.00 O ATOM 310 CB ASP A 19 6.821 -11.693 -2.173 1.00 0.00 C ATOM 311 CG ASP A 19 8.154 -12.440 -2.206 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.390 -13.229 -1.307 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.916 -12.210 -3.130 1.00 0.00 O ATOM 0 H ASP A 19 4.099 -12.339 -0.438 1.00 0.00 H new ATOM 0 HA ASP A 19 6.334 -12.899 -0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.173 -12.053 -2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.986 -10.630 -2.350 1.00 0.00 H new ATOM 318 N GLY A 20 6.260 -9.670 0.068 1.00 0.00 N ATOM 319 CA GLY A 20 6.770 -8.585 0.945 1.00 0.00 C ATOM 320 C GLY A 20 7.338 -7.511 0.030 1.00 0.00 C ATOM 321 O GLY A 20 7.539 -6.378 0.421 1.00 0.00 O ATOM 0 H GLY A 20 5.542 -9.377 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.970 -8.181 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.537 -8.963 1.621 1.00 0.00 H new ATOM 325 N ASN A 21 7.604 -7.872 -1.201 1.00 0.00 N ATOM 326 CA ASN A 21 8.163 -6.902 -2.154 1.00 0.00 C ATOM 327 C ASN A 21 7.065 -6.336 -3.084 1.00 0.00 C ATOM 328 O ASN A 21 7.327 -5.502 -3.923 1.00 0.00 O ATOM 329 CB ASN A 21 9.220 -7.619 -2.980 1.00 0.00 C ATOM 330 CG ASN A 21 10.499 -7.761 -2.159 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.083 -6.779 -1.746 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.959 -8.952 -1.900 1.00 0.00 N ATOM 0 H ASN A 21 7.452 -8.808 -1.577 1.00 0.00 H new ATOM 0 HA ASN A 21 8.597 -6.063 -1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.857 -8.602 -3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.422 -7.061 -3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.811 -9.061 -1.350 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.467 -9.775 -2.248 1.00 0.00 H new ATOM 339 N GLN A 22 5.841 -6.772 -2.940 1.00 0.00 N ATOM 340 CA GLN A 22 4.736 -6.237 -3.800 1.00 0.00 C ATOM 341 C GLN A 22 3.476 -6.116 -2.939 1.00 0.00 C ATOM 342 O GLN A 22 3.292 -6.847 -1.986 1.00 0.00 O ATOM 343 CB GLN A 22 4.452 -7.160 -4.989 1.00 0.00 C ATOM 344 CG GLN A 22 5.757 -7.671 -5.611 1.00 0.00 C ATOM 345 CD GLN A 22 5.859 -9.182 -5.416 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.401 -9.945 -6.243 1.00 0.00 O ATOM 347 NE2 GLN A 22 6.444 -9.651 -4.350 1.00 0.00 N ATOM 0 H GLN A 22 5.555 -7.478 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 22 5.035 -5.267 -4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.846 -8.005 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.872 -6.624 -5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.785 -7.428 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.611 -7.176 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.829 -9.010 -3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.517 -10.659 -4.210 1.00 0.00 H new ATOM 356 N LEU A 23 2.628 -5.172 -3.238 1.00 0.00 N ATOM 357 CA LEU A 23 1.408 -4.971 -2.405 1.00 0.00 C ATOM 358 C LEU A 23 0.123 -5.278 -3.181 1.00 0.00 C ATOM 359 O LEU A 23 0.148 -5.763 -4.285 1.00 0.00 O ATOM 360 CB LEU A 23 1.391 -3.509 -1.969 1.00 0.00 C ATOM 361 CG LEU A 23 1.943 -3.414 -0.557 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.085 -1.945 -0.165 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.995 -4.122 0.413 1.00 0.00 C ATOM 0 H LEU A 23 2.727 -4.530 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 23 1.442 -5.651 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.990 -2.905 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.375 -3.116 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 23 2.921 -3.894 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.481 -1.875 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.766 -1.448 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.109 -1.461 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.392 -4.053 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.014 -3.648 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.902 -5.171 0.130 1.00 0.00 H new ATOM 375 N SER A 24 -1.003 -4.994 -2.583 1.00 0.00 N ATOM 376 CA SER A 24 -2.298 -5.230 -3.213 1.00 0.00 C ATOM 377 C SER A 24 -3.301 -4.329 -2.484 1.00 0.00 C ATOM 378 O SER A 24 -2.931 -3.560 -1.619 1.00 0.00 O ATOM 379 CB SER A 24 -2.670 -6.695 -3.035 1.00 0.00 C ATOM 380 OG SER A 24 -1.499 -7.438 -2.727 1.00 0.00 O ATOM 0 H SER A 24 -1.061 -4.593 -1.647 1.00 0.00 H new ATOM 0 HA SER A 24 -2.286 -5.008 -4.280 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.404 -6.802 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.131 -7.079 -3.945 1.00 0.00 H new ATOM 0 HG SER A 24 -1.732 -8.383 -2.610 1.00 0.00 H new ATOM 386 N LYS A 25 -4.551 -4.402 -2.809 1.00 0.00 N ATOM 387 CA LYS A 25 -5.544 -3.536 -2.115 1.00 0.00 C ATOM 388 C LYS A 25 -5.877 -4.122 -0.740 1.00 0.00 C ATOM 389 O LYS A 25 -6.277 -3.416 0.164 1.00 0.00 O ATOM 390 CB LYS A 25 -6.817 -3.442 -2.952 1.00 0.00 C ATOM 391 CG LYS A 25 -7.410 -2.039 -2.813 1.00 0.00 C ATOM 392 CD LYS A 25 -8.663 -1.922 -3.680 1.00 0.00 C ATOM 393 CE LYS A 25 -9.564 -3.136 -3.448 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.970 -3.188 -2.015 1.00 0.00 N ATOM 0 H LYS A 25 -4.934 -5.021 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.120 -2.540 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.595 -3.654 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.539 -4.189 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.657 -1.840 -1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.676 -1.292 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.201 -1.006 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.385 -1.859 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.446 -3.074 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.037 -4.050 -3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.610 -3.994 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.125 -3.300 -1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.459 -2.306 -1.760 1.00 0.00 H new ATOM 408 N GLU A 26 -5.717 -5.407 -0.571 1.00 0.00 N ATOM 409 CA GLU A 26 -6.024 -6.029 0.746 1.00 0.00 C ATOM 410 C GLU A 26 -4.846 -5.821 1.699 1.00 0.00 C ATOM 411 O GLU A 26 -4.888 -6.223 2.844 1.00 0.00 O ATOM 412 CB GLU A 26 -6.266 -7.527 0.557 1.00 0.00 C ATOM 413 CG GLU A 26 -7.771 -7.800 0.508 1.00 0.00 C ATOM 414 CD GLU A 26 -8.092 -9.038 1.348 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.403 -10.033 1.189 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.022 -8.972 2.135 1.00 0.00 O ATOM 0 H GLU A 26 -5.387 -6.052 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.916 -5.565 1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.794 -7.869 -0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.811 -8.086 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.320 -6.938 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.090 -7.954 -0.523 1.00 0.00 H new ATOM 423 N GLU A 27 -3.788 -5.207 1.239 1.00 0.00 N ATOM 424 CA GLU A 27 -2.614 -4.995 2.131 1.00 0.00 C ATOM 425 C GLU A 27 -2.325 -3.502 2.291 1.00 0.00 C ATOM 426 O GLU A 27 -1.485 -3.110 3.076 1.00 0.00 O ATOM 427 CB GLU A 27 -1.390 -5.692 1.536 1.00 0.00 C ATOM 428 CG GLU A 27 -1.669 -7.191 1.409 1.00 0.00 C ATOM 429 CD GLU A 27 -0.412 -7.903 0.908 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.358 -7.277 0.197 1.00 0.00 O ATOM 431 OE2 GLU A 27 -0.239 -9.063 1.243 1.00 0.00 O ATOM 0 H GLU A 27 -3.687 -4.846 0.290 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.838 -5.415 3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.157 -5.270 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.519 -5.526 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.971 -7.599 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.495 -7.361 0.719 1.00 0.00 H new ATOM 438 N LEU A 28 -3.031 -2.660 1.592 1.00 0.00 N ATOM 439 CA LEU A 28 -2.812 -1.212 1.751 1.00 0.00 C ATOM 440 C LEU A 28 -3.755 -0.787 2.870 1.00 0.00 C ATOM 441 O LEU A 28 -3.406 -0.068 3.779 1.00 0.00 O ATOM 442 CB LEU A 28 -3.139 -0.529 0.419 1.00 0.00 C ATOM 443 CG LEU A 28 -3.863 0.787 0.665 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.981 1.698 1.519 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.164 1.468 -0.672 1.00 0.00 C ATOM 0 H LEU A 28 -3.750 -2.920 0.918 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.787 -0.942 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.221 -0.348 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.760 -1.185 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.800 0.594 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.497 2.641 1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.773 1.213 2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.043 1.890 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.682 2.410 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.230 1.663 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.794 0.817 -1.278 1.00 0.00 H new ATOM 457 N LYS A 29 -4.942 -1.304 2.821 1.00 0.00 N ATOM 458 CA LYS A 29 -5.933 -1.062 3.845 1.00 0.00 C ATOM 459 C LYS A 29 -5.328 -1.394 5.208 1.00 0.00 C ATOM 460 O LYS A 29 -5.350 -0.598 6.122 1.00 0.00 O ATOM 461 CB LYS A 29 -7.052 -2.018 3.545 1.00 0.00 C ATOM 462 CG LYS A 29 -8.084 -1.842 4.612 1.00 0.00 C ATOM 463 CD LYS A 29 -9.413 -2.384 4.120 1.00 0.00 C ATOM 464 CE LYS A 29 -9.882 -3.529 5.048 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.370 -3.616 5.013 1.00 0.00 N ATOM 0 H LYS A 29 -5.262 -1.912 2.067 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.274 -0.027 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.477 -1.816 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.687 -3.045 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.779 -2.364 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.181 -0.787 4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.158 -1.588 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.312 -2.749 3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.444 -4.474 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.541 -3.349 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.688 -4.385 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.778 -2.716 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.684 -3.807 4.040 1.00 0.00 H new ATOM 479 N LEU A 30 -4.782 -2.576 5.341 1.00 0.00 N ATOM 480 CA LEU A 30 -4.167 -2.975 6.639 1.00 0.00 C ATOM 481 C LEU A 30 -3.109 -1.946 7.039 1.00 0.00 C ATOM 482 O LEU A 30 -2.842 -1.736 8.207 1.00 0.00 O ATOM 483 CB LEU A 30 -3.502 -4.349 6.495 1.00 0.00 C ATOM 484 CG LEU A 30 -4.394 -5.280 5.671 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.907 -6.722 5.829 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.839 -5.178 6.164 1.00 0.00 C ATOM 0 H LEU A 30 -4.736 -3.281 4.605 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.942 -3.023 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.530 -4.243 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.324 -4.781 7.480 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.347 -4.989 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.541 -7.387 5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.878 -6.799 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.954 -7.009 6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.472 -5.842 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.887 -5.468 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.189 -4.152 6.055 1.00 0.00 H new ATOM 498 N LEU A 31 -2.500 -1.305 6.080 1.00 0.00 N ATOM 499 CA LEU A 31 -1.455 -0.292 6.409 1.00 0.00 C ATOM 500 C LEU A 31 -2.059 0.796 7.286 1.00 0.00 C ATOM 501 O LEU A 31 -1.771 0.896 8.461 1.00 0.00 O ATOM 502 CB LEU A 31 -0.937 0.354 5.124 1.00 0.00 C ATOM 503 CG LEU A 31 0.059 1.460 5.475 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.480 0.964 5.219 1.00 0.00 C ATOM 505 CD2 LEU A 31 -0.216 2.687 4.604 1.00 0.00 C ATOM 0 H LEU A 31 -2.679 -1.438 5.085 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.637 -0.787 6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.457 -0.396 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.768 0.766 4.551 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.049 1.727 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.191 1.752 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.677 0.088 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.588 0.698 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.493 3.476 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.107 2.419 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.231 3.041 4.784 1.00 0.00 H new ATOM 517 N LEU A 32 -2.883 1.622 6.712 1.00 0.00 N ATOM 518 CA LEU A 32 -3.502 2.721 7.491 1.00 0.00 C ATOM 519 C LEU A 32 -4.246 2.183 8.710 1.00 0.00 C ATOM 520 O LEU A 32 -4.216 2.761 9.761 1.00 0.00 O ATOM 521 CB LEU A 32 -4.445 3.489 6.623 1.00 0.00 C ATOM 522 CG LEU A 32 -5.243 2.523 5.816 1.00 0.00 C ATOM 523 CD1 LEU A 32 -6.692 2.779 6.135 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.939 2.780 4.354 1.00 0.00 C ATOM 0 H LEU A 32 -3.155 1.582 5.730 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.706 3.379 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.104 4.106 7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.893 4.163 5.968 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.005 1.483 6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.317 2.092 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.863 2.625 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.947 3.805 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.510 2.087 3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.214 3.804 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.874 2.635 4.173 1.00 0.00 H new ATOM 536 N GLN A 33 -4.921 1.088 8.602 1.00 0.00 N ATOM 537 CA GLN A 33 -5.644 0.588 9.806 1.00 0.00 C ATOM 538 C GLN A 33 -4.628 0.272 10.900 1.00 0.00 C ATOM 539 O GLN A 33 -4.918 0.368 12.076 1.00 0.00 O ATOM 540 CB GLN A 33 -6.448 -0.664 9.450 1.00 0.00 C ATOM 541 CG GLN A 33 -7.477 -0.315 8.374 1.00 0.00 C ATOM 542 CD GLN A 33 -8.849 -0.854 8.783 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.626 -0.156 9.403 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.181 -2.074 8.462 1.00 0.00 N ATOM 0 H GLN A 33 -5.009 0.522 7.758 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.335 1.351 10.164 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.781 -1.448 9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.949 -1.052 10.336 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.525 0.766 8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.177 -0.743 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.528 -2.660 7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.093 -2.442 8.732 1.00 0.00 H new ATOM 553 N THR A 34 -3.432 -0.075 10.524 1.00 0.00 N ATOM 554 CA THR A 34 -2.393 -0.362 11.549 1.00 0.00 C ATOM 555 C THR A 34 -1.710 0.956 11.923 1.00 0.00 C ATOM 556 O THR A 34 -1.093 1.080 12.962 1.00 0.00 O ATOM 557 CB THR A 34 -1.355 -1.342 10.987 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.926 -2.641 10.908 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.138 -1.372 11.909 1.00 0.00 C ATOM 0 H THR A 34 -3.129 -0.172 9.555 1.00 0.00 H new ATOM 0 HA THR A 34 -2.853 -0.812 12.429 1.00 0.00 H new ATOM 0 HB THR A 34 -1.049 -1.021 9.991 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.382 -2.746 10.047 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.602 -2.068 11.513 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.297 -0.375 11.969 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.443 -1.695 12.904 1.00 0.00 H new ATOM 567 N GLU A 35 -1.828 1.942 11.073 1.00 0.00 N ATOM 568 CA GLU A 35 -1.202 3.265 11.356 1.00 0.00 C ATOM 569 C GLU A 35 -2.304 4.336 11.460 1.00 0.00 C ATOM 570 O GLU A 35 -2.539 4.888 12.516 1.00 0.00 O ATOM 571 CB GLU A 35 -0.216 3.612 10.232 1.00 0.00 C ATOM 572 CG GLU A 35 1.073 2.811 10.420 1.00 0.00 C ATOM 573 CD GLU A 35 2.174 3.733 10.949 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.529 4.663 10.244 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.641 3.493 12.050 1.00 0.00 O ATOM 0 H GLU A 35 -2.335 1.886 10.190 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.658 3.228 12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.659 3.386 9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.002 4.680 10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.905 1.990 11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.379 2.367 9.473 1.00 0.00 H new ATOM 582 N PHE A 36 -2.992 4.626 10.382 1.00 0.00 N ATOM 583 CA PHE A 36 -4.081 5.648 10.439 1.00 0.00 C ATOM 584 C PHE A 36 -5.314 5.114 9.690 1.00 0.00 C ATOM 585 O PHE A 36 -5.570 5.533 8.584 1.00 0.00 O ATOM 586 CB PHE A 36 -3.631 6.936 9.734 1.00 0.00 C ATOM 587 CG PHE A 36 -2.133 6.937 9.545 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.284 7.183 10.626 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.599 6.686 8.275 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.104 7.177 10.439 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.215 6.680 8.086 1.00 0.00 C ATOM 592 CZ PHE A 36 0.640 6.927 9.168 1.00 0.00 C ATOM 0 H PHE A 36 -2.846 4.199 9.467 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.315 5.852 11.484 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.126 7.021 8.767 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.930 7.804 10.322 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.697 7.378 11.605 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.258 6.497 7.441 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.762 7.365 11.275 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.196 6.485 7.106 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.710 6.925 9.023 1.00 0.00 H new ATOM 602 N PRO A 37 -6.048 4.215 10.304 1.00 0.00 N ATOM 603 CA PRO A 37 -7.258 3.629 9.687 1.00 0.00 C ATOM 604 C PRO A 37 -8.201 4.713 9.145 1.00 0.00 C ATOM 605 O PRO A 37 -9.101 4.427 8.380 1.00 0.00 O ATOM 606 CB PRO A 37 -7.933 2.847 10.822 1.00 0.00 C ATOM 607 CG PRO A 37 -6.960 2.842 12.027 1.00 0.00 C ATOM 608 CD PRO A 37 -5.748 3.709 11.652 1.00 0.00 C ATOM 0 HA PRO A 37 -7.007 3.000 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.881 3.311 11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.157 1.828 10.506 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.451 3.236 12.917 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.645 1.825 12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.613 4.527 12.360 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.827 3.126 11.659 1.00 0.00 H new ATOM 616 N SER A 38 -8.020 5.947 9.530 1.00 0.00 N ATOM 617 CA SER A 38 -8.929 7.016 9.024 1.00 0.00 C ATOM 618 C SER A 38 -8.708 7.237 7.522 1.00 0.00 C ATOM 619 O SER A 38 -9.399 8.017 6.898 1.00 0.00 O ATOM 620 CB SER A 38 -8.660 8.321 9.776 1.00 0.00 C ATOM 621 OG SER A 38 -7.344 8.769 9.482 1.00 0.00 O ATOM 0 H SER A 38 -7.288 6.260 10.168 1.00 0.00 H new ATOM 0 HA SER A 38 -9.961 6.705 9.189 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.388 9.078 9.485 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.773 8.166 10.849 1.00 0.00 H new ATOM 0 HG SER A 38 -7.169 9.606 9.961 1.00 0.00 H new ATOM 627 N LEU A 39 -7.764 6.557 6.933 1.00 0.00 N ATOM 628 CA LEU A 39 -7.522 6.736 5.475 1.00 0.00 C ATOM 629 C LEU A 39 -8.673 6.101 4.692 1.00 0.00 C ATOM 630 O LEU A 39 -8.774 6.243 3.491 1.00 0.00 O ATOM 631 CB LEU A 39 -6.198 6.069 5.088 1.00 0.00 C ATOM 632 CG LEU A 39 -5.154 7.144 4.774 1.00 0.00 C ATOM 633 CD1 LEU A 39 -4.897 7.989 6.022 1.00 0.00 C ATOM 634 CD2 LEU A 39 -3.847 6.475 4.338 1.00 0.00 C ATOM 0 H LEU A 39 -7.151 5.887 7.397 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.466 7.799 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.848 5.434 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.343 5.425 4.221 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.524 7.782 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.154 8.754 5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.825 8.466 6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.529 7.350 6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.104 7.240 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.480 5.836 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.026 5.872 3.448 1.00 0.00 H new ATOM 646 N LEU A 40 -9.546 5.408 5.367 1.00 0.00 N ATOM 647 CA LEU A 40 -10.697 4.767 4.668 1.00 0.00 C ATOM 648 C LEU A 40 -11.889 5.721 4.677 1.00 0.00 C ATOM 649 O LEU A 40 -12.635 5.794 5.633 1.00 0.00 O ATOM 650 CB LEU A 40 -11.070 3.464 5.379 1.00 0.00 C ATOM 651 CG LEU A 40 -9.908 2.469 5.268 1.00 0.00 C ATOM 652 CD1 LEU A 40 -10.398 1.062 5.617 1.00 0.00 C ATOM 653 CD2 LEU A 40 -9.363 2.473 3.836 1.00 0.00 C ATOM 0 H LEU A 40 -9.513 5.257 6.375 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.420 4.544 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.295 3.661 6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.970 3.039 4.934 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.119 2.762 5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.570 0.358 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.784 1.054 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.190 0.771 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.537 1.765 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.155 2.184 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.009 3.473 3.584 1.00 0.00 H new ATOM 665 N LYS A 41 -12.057 6.468 3.624 1.00 0.00 N ATOM 666 CA LYS A 41 -13.179 7.445 3.564 1.00 0.00 C ATOM 667 C LYS A 41 -14.018 7.186 2.312 1.00 0.00 C ATOM 668 O LYS A 41 -15.085 6.608 2.377 1.00 0.00 O ATOM 669 CB LYS A 41 -12.611 8.873 3.518 1.00 0.00 C ATOM 670 CG LYS A 41 -11.099 8.850 3.797 1.00 0.00 C ATOM 671 CD LYS A 41 -10.474 10.164 3.345 1.00 0.00 C ATOM 672 CE LYS A 41 -8.974 10.137 3.643 1.00 0.00 C ATOM 673 NZ LYS A 41 -8.507 11.511 3.982 1.00 0.00 N ATOM 0 H LYS A 41 -11.462 6.444 2.796 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.807 7.332 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.802 9.317 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.115 9.497 4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.918 8.697 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.635 8.015 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.642 10.312 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.944 11.001 3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.770 9.458 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.428 9.759 2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.487 11.491 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.688 12.147 3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.019 11.855 4.819 1.00 0.00 H new ATOM 687 N GLY A 42 -13.545 7.609 1.175 1.00 0.00 N ATOM 688 CA GLY A 42 -14.317 7.390 -0.083 1.00 0.00 C ATOM 689 C GLY A 42 -13.349 7.183 -1.250 1.00 0.00 C ATOM 690 O GLY A 42 -13.060 6.070 -1.641 1.00 0.00 O ATOM 0 H GLY A 42 -12.657 8.097 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.966 6.520 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.962 8.247 -0.280 1.00 0.00 H new ATOM 694 N MET A 43 -12.845 8.249 -1.811 1.00 0.00 N ATOM 695 CA MET A 43 -11.893 8.111 -2.951 1.00 0.00 C ATOM 696 C MET A 43 -10.563 8.809 -2.627 1.00 0.00 C ATOM 697 O MET A 43 -10.477 9.579 -1.692 1.00 0.00 O ATOM 698 CB MET A 43 -12.510 8.727 -4.213 1.00 0.00 C ATOM 699 CG MET A 43 -12.959 7.604 -5.142 1.00 0.00 C ATOM 700 SD MET A 43 -14.766 7.575 -5.246 1.00 0.00 S ATOM 701 CE MET A 43 -15.090 7.285 -3.489 1.00 0.00 C ATOM 0 H MET A 43 -13.051 9.208 -1.530 1.00 0.00 H new ATOM 0 HA MET A 43 -11.698 7.052 -3.121 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.358 9.359 -3.948 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.782 9.364 -4.716 1.00 0.00 H new ATOM 0 HG2 MET A 43 -12.531 7.748 -6.134 1.00 0.00 H new ATOM 0 HG3 MET A 43 -12.592 6.646 -4.773 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.129 6.985 -3.355 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.435 6.494 -3.124 1.00 0.00 H new ATOM 0 HE3 MET A 43 -14.901 8.200 -2.928 1.00 0.00 H new ATOM 711 N SER A 44 -9.519 8.553 -3.390 1.00 0.00 N ATOM 712 CA SER A 44 -8.220 9.207 -3.110 1.00 0.00 C ATOM 713 C SER A 44 -7.555 8.524 -1.912 1.00 0.00 C ATOM 714 O SER A 44 -6.896 9.154 -1.110 1.00 0.00 O ATOM 715 CB SER A 44 -8.445 10.688 -2.803 1.00 0.00 C ATOM 716 OG SER A 44 -8.494 10.872 -1.394 1.00 0.00 O ATOM 0 H SER A 44 -9.523 7.919 -4.189 1.00 0.00 H new ATOM 0 HA SER A 44 -7.572 9.118 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.641 11.287 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.375 11.029 -3.259 1.00 0.00 H new ATOM 0 HG SER A 44 -9.224 10.337 -1.019 1.00 0.00 H new ATOM 722 N THR A 45 -7.730 7.236 -1.790 1.00 0.00 N ATOM 723 CA THR A 45 -7.117 6.497 -0.651 1.00 0.00 C ATOM 724 C THR A 45 -7.156 4.994 -0.966 1.00 0.00 C ATOM 725 O THR A 45 -6.893 4.587 -2.070 1.00 0.00 O ATOM 726 CB THR A 45 -7.902 6.808 0.627 1.00 0.00 C ATOM 727 OG1 THR A 45 -7.234 6.244 1.748 1.00 0.00 O ATOM 728 CG2 THR A 45 -9.312 6.236 0.514 1.00 0.00 C ATOM 0 H THR A 45 -8.274 6.662 -2.434 1.00 0.00 H new ATOM 0 HA THR A 45 -6.081 6.802 -0.503 1.00 0.00 H new ATOM 0 HB THR A 45 -7.967 7.888 0.760 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.896 5.913 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.869 6.458 1.424 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.819 6.684 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.257 5.156 0.377 1.00 0.00 H new ATOM 736 N LEU A 46 -7.483 4.156 -0.031 1.00 0.00 N ATOM 737 CA LEU A 46 -7.527 2.699 -0.344 1.00 0.00 C ATOM 738 C LEU A 46 -8.354 2.462 -1.622 1.00 0.00 C ATOM 739 O LEU A 46 -8.281 1.416 -2.234 1.00 0.00 O ATOM 740 CB LEU A 46 -8.165 1.958 0.841 1.00 0.00 C ATOM 741 CG LEU A 46 -8.311 0.462 0.532 1.00 0.00 C ATOM 742 CD1 LEU A 46 -9.534 0.233 -0.357 1.00 0.00 C ATOM 743 CD2 LEU A 46 -7.056 -0.055 -0.179 1.00 0.00 C ATOM 0 H LEU A 46 -7.720 4.408 0.928 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.517 2.325 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.552 2.092 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.143 2.386 1.060 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.438 -0.080 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.633 -0.831 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.429 0.583 0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.414 0.783 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.171 -1.118 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.916 0.490 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.187 0.094 0.462 1.00 0.00 H new ATOM 755 N ASP A 47 -9.157 3.419 -2.020 1.00 0.00 N ATOM 756 CA ASP A 47 -10.006 3.237 -3.234 1.00 0.00 C ATOM 757 C ASP A 47 -9.283 3.619 -4.538 1.00 0.00 C ATOM 758 O ASP A 47 -8.944 2.768 -5.335 1.00 0.00 O ATOM 759 CB ASP A 47 -11.245 4.106 -3.092 1.00 0.00 C ATOM 760 CG ASP A 47 -12.434 3.245 -2.668 1.00 0.00 C ATOM 761 OD1 ASP A 47 -12.231 2.339 -1.876 1.00 0.00 O ATOM 762 OD2 ASP A 47 -13.527 3.504 -3.142 1.00 0.00 O ATOM 0 H ASP A 47 -9.260 4.320 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.257 2.178 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.069 4.889 -2.354 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.463 4.603 -4.038 1.00 0.00 H new ATOM 767 N GLU A 48 -9.090 4.891 -4.788 1.00 0.00 N ATOM 768 CA GLU A 48 -8.444 5.312 -6.072 1.00 0.00 C ATOM 769 C GLU A 48 -6.950 5.527 -5.883 1.00 0.00 C ATOM 770 O GLU A 48 -6.231 5.819 -6.819 1.00 0.00 O ATOM 771 CB GLU A 48 -9.077 6.613 -6.552 1.00 0.00 C ATOM 772 CG GLU A 48 -9.773 6.370 -7.890 1.00 0.00 C ATOM 773 CD GLU A 48 -10.274 7.701 -8.456 1.00 0.00 C ATOM 774 OE1 GLU A 48 -9.447 8.480 -8.903 1.00 0.00 O ATOM 775 OE2 GLU A 48 -11.475 7.917 -8.436 1.00 0.00 O ATOM 0 H GLU A 48 -9.350 5.653 -4.162 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.594 4.523 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.795 6.975 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.314 7.384 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.082 5.902 -8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.608 5.682 -7.758 1.00 0.00 H new ATOM 782 N LEU A 49 -6.470 5.354 -4.698 1.00 0.00 N ATOM 783 CA LEU A 49 -5.009 5.515 -4.466 1.00 0.00 C ATOM 784 C LEU A 49 -4.332 4.346 -5.148 1.00 0.00 C ATOM 785 O LEU A 49 -3.197 4.408 -5.574 1.00 0.00 O ATOM 786 CB LEU A 49 -4.717 5.466 -2.972 1.00 0.00 C ATOM 787 CG LEU A 49 -3.309 6.001 -2.701 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.346 6.968 -1.515 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.376 4.832 -2.374 1.00 0.00 C ATOM 0 H LEU A 49 -7.019 5.108 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.651 6.468 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.452 6.060 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.803 4.442 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.944 6.525 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.342 7.348 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.011 7.800 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.711 6.445 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.372 5.211 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.743 4.309 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.347 4.142 -3.218 1.00 0.00 H new ATOM 801 N PHE A 50 -5.059 3.280 -5.257 1.00 0.00 N ATOM 802 CA PHE A 50 -4.534 2.065 -5.914 1.00 0.00 C ATOM 803 C PHE A 50 -4.529 2.289 -7.425 1.00 0.00 C ATOM 804 O PHE A 50 -3.717 1.746 -8.147 1.00 0.00 O ATOM 805 CB PHE A 50 -5.456 0.903 -5.566 1.00 0.00 C ATOM 806 CG PHE A 50 -4.830 -0.397 -6.014 1.00 0.00 C ATOM 807 CD1 PHE A 50 -3.511 -0.698 -5.657 1.00 0.00 C ATOM 808 CD2 PHE A 50 -5.569 -1.300 -6.791 1.00 0.00 C ATOM 809 CE1 PHE A 50 -2.930 -1.903 -6.076 1.00 0.00 C ATOM 810 CE2 PHE A 50 -4.987 -2.503 -7.208 1.00 0.00 C ATOM 811 CZ PHE A 50 -3.669 -2.805 -6.852 1.00 0.00 C ATOM 0 H PHE A 50 -6.015 3.199 -4.911 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.520 1.847 -5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.637 0.879 -4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.424 1.037 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.941 -0.002 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.587 -1.068 -7.068 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.912 -2.136 -5.800 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.557 -3.199 -7.806 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.221 -3.733 -7.175 1.00 0.00 H new ATOM 821 N GLU A 51 -5.435 3.100 -7.903 1.00 0.00 N ATOM 822 CA GLU A 51 -5.493 3.379 -9.363 1.00 0.00 C ATOM 823 C GLU A 51 -4.429 4.417 -9.719 1.00 0.00 C ATOM 824 O GLU A 51 -3.909 4.436 -10.817 1.00 0.00 O ATOM 825 CB GLU A 51 -6.877 3.924 -9.722 1.00 0.00 C ATOM 826 CG GLU A 51 -7.163 3.664 -11.202 1.00 0.00 C ATOM 827 CD GLU A 51 -8.589 3.133 -11.363 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.836 2.016 -10.936 1.00 0.00 O ATOM 829 OE2 GLU A 51 -9.409 3.850 -11.910 1.00 0.00 O ATOM 0 H GLU A 51 -6.138 3.581 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.309 2.460 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.638 3.447 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.923 4.993 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.040 4.584 -11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.449 2.943 -11.600 1.00 0.00 H new ATOM 836 N GLU A 52 -4.099 5.280 -8.798 1.00 0.00 N ATOM 837 CA GLU A 52 -3.068 6.316 -9.080 1.00 0.00 C ATOM 838 C GLU A 52 -1.764 5.637 -9.505 1.00 0.00 C ATOM 839 O GLU A 52 -0.964 6.202 -10.223 1.00 0.00 O ATOM 840 CB GLU A 52 -2.822 7.145 -7.818 1.00 0.00 C ATOM 841 CG GLU A 52 -3.258 8.590 -8.062 1.00 0.00 C ATOM 842 CD GLU A 52 -2.135 9.541 -7.645 1.00 0.00 C ATOM 843 OE1 GLU A 52 -1.041 9.399 -8.166 1.00 0.00 O ATOM 844 OE2 GLU A 52 -2.389 10.397 -6.813 1.00 0.00 O ATOM 0 H GLU A 52 -4.500 5.312 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.417 6.967 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.377 6.724 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.766 7.113 -7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.499 8.735 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.163 8.808 -7.495 1.00 0.00 H new ATOM 851 N LEU A 53 -1.543 4.430 -9.063 1.00 0.00 N ATOM 852 CA LEU A 53 -0.287 3.719 -9.440 1.00 0.00 C ATOM 853 C LEU A 53 -0.495 2.970 -10.759 1.00 0.00 C ATOM 854 O LEU A 53 -1.563 2.999 -11.339 1.00 0.00 O ATOM 855 CB LEU A 53 0.085 2.725 -8.336 1.00 0.00 C ATOM 856 CG LEU A 53 0.374 3.489 -7.042 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.741 2.503 -5.933 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.542 4.451 -7.273 1.00 0.00 C ATOM 0 H LEU A 53 -2.175 3.905 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 53 0.518 4.444 -9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.729 2.017 -8.179 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.959 2.145 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.512 4.051 -6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.946 3.050 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.088 1.815 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.627 1.940 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.751 4.997 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.426 3.886 -7.568 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.282 5.156 -8.063 1.00 0.00 H new ATOM 870 N ASP A 54 0.519 2.300 -11.238 1.00 0.00 N ATOM 871 CA ASP A 54 0.379 1.552 -12.519 1.00 0.00 C ATOM 872 C ASP A 54 -0.621 0.410 -12.332 1.00 0.00 C ATOM 873 O ASP A 54 -1.097 -0.160 -13.292 1.00 0.00 O ATOM 874 CB ASP A 54 1.739 0.981 -12.926 1.00 0.00 C ATOM 875 CG ASP A 54 1.596 0.173 -14.218 1.00 0.00 C ATOM 876 OD1 ASP A 54 0.953 0.662 -15.132 1.00 0.00 O ATOM 877 OD2 ASP A 54 2.133 -0.921 -14.271 1.00 0.00 O ATOM 0 H ASP A 54 1.437 2.239 -10.797 1.00 0.00 H new ATOM 0 HA ASP A 54 0.021 2.225 -13.298 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.455 1.790 -13.070 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.130 0.346 -12.131 1.00 0.00 H new ATOM 882 N LYS A 55 -0.937 0.101 -11.097 1.00 0.00 N ATOM 883 CA LYS A 55 -1.911 -0.992 -10.772 1.00 0.00 C ATOM 884 C LYS A 55 -2.113 -1.935 -11.958 1.00 0.00 C ATOM 885 O LYS A 55 -3.219 -2.127 -12.422 1.00 0.00 O ATOM 886 CB LYS A 55 -3.255 -0.369 -10.400 1.00 0.00 C ATOM 887 CG LYS A 55 -3.865 0.278 -11.643 1.00 0.00 C ATOM 888 CD LYS A 55 -5.161 -0.457 -12.020 1.00 0.00 C ATOM 889 CE LYS A 55 -6.381 0.224 -11.346 1.00 0.00 C ATOM 890 NZ LYS A 55 -7.467 0.384 -12.351 1.00 0.00 N ATOM 0 H LYS A 55 -0.551 0.573 -10.279 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.508 -1.569 -9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.926 -1.131 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.120 0.376 -9.616 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.074 1.331 -11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.158 0.238 -12.471 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.287 -0.455 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.100 -1.500 -11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.731 -0.377 -10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.094 1.196 -10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.332 0.714 -11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.177 1.080 -13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.651 -0.530 -12.812 1.00 0.00 H new ATOM 904 N ASN A 56 -1.067 -2.542 -12.444 1.00 0.00 N ATOM 905 CA ASN A 56 -1.236 -3.481 -13.580 1.00 0.00 C ATOM 906 C ASN A 56 -0.848 -4.880 -13.122 1.00 0.00 C ATOM 907 O ASN A 56 -1.009 -5.852 -13.829 1.00 0.00 O ATOM 908 CB ASN A 56 -0.374 -3.079 -14.772 1.00 0.00 C ATOM 909 CG ASN A 56 -0.630 -4.069 -15.919 1.00 0.00 C ATOM 910 OD1 ASN A 56 0.123 -4.115 -16.872 1.00 0.00 O ATOM 911 ND2 ASN A 56 -1.668 -4.873 -15.865 1.00 0.00 N ATOM 0 H ASN A 56 -0.112 -2.428 -12.106 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.278 -3.456 -13.898 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.615 -2.064 -15.088 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.680 -3.085 -14.495 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.841 -5.534 -16.622 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.301 -4.836 -15.066 1.00 0.00 H new ATOM 918 N GLY A 57 -0.376 -5.015 -11.919 1.00 0.00 N ATOM 919 CA GLY A 57 -0.046 -6.374 -11.440 1.00 0.00 C ATOM 920 C GLY A 57 -1.298 -7.232 -11.606 1.00 0.00 C ATOM 921 O GLY A 57 -1.251 -8.442 -11.517 1.00 0.00 O ATOM 0 H GLY A 57 -0.208 -4.256 -11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.784 -6.791 -12.010 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.266 -6.348 -10.396 1.00 0.00 H new ATOM 925 N ASP A 58 -2.430 -6.590 -11.809 1.00 0.00 N ATOM 926 CA ASP A 58 -3.712 -7.315 -11.944 1.00 0.00 C ATOM 927 C ASP A 58 -4.234 -7.501 -10.535 1.00 0.00 C ATOM 928 O ASP A 58 -4.969 -8.420 -10.230 1.00 0.00 O ATOM 929 CB ASP A 58 -3.511 -8.656 -12.643 1.00 0.00 C ATOM 930 CG ASP A 58 -4.866 -9.201 -13.101 1.00 0.00 C ATOM 931 OD1 ASP A 58 -5.630 -8.435 -13.666 1.00 0.00 O ATOM 932 OD2 ASP A 58 -5.118 -10.373 -12.879 1.00 0.00 O ATOM 0 H ASP A 58 -2.506 -5.576 -11.886 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.422 -6.759 -12.556 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.847 -8.536 -13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.033 -9.363 -11.965 1.00 0.00 H new ATOM 937 N GLY A 59 -3.831 -6.609 -9.666 1.00 0.00 N ATOM 938 CA GLY A 59 -4.265 -6.688 -8.255 1.00 0.00 C ATOM 939 C GLY A 59 -3.085 -6.359 -7.329 1.00 0.00 C ATOM 940 O GLY A 59 -3.271 -5.924 -6.210 1.00 0.00 O ATOM 0 H GLY A 59 -3.215 -5.826 -9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.084 -5.991 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.643 -7.687 -8.037 1.00 0.00 H new ATOM 944 N GLU A 60 -1.873 -6.568 -7.779 1.00 0.00 N ATOM 945 CA GLU A 60 -0.695 -6.274 -6.916 1.00 0.00 C ATOM 946 C GLU A 60 0.137 -5.142 -7.529 1.00 0.00 C ATOM 947 O GLU A 60 0.126 -4.922 -8.724 1.00 0.00 O ATOM 948 CB GLU A 60 0.159 -7.544 -6.810 1.00 0.00 C ATOM 949 CG GLU A 60 1.571 -7.210 -6.318 1.00 0.00 C ATOM 950 CD GLU A 60 2.467 -8.438 -6.491 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.101 -9.489 -5.992 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.504 -8.305 -7.118 1.00 0.00 O ATOM 0 H GLU A 60 -1.651 -6.929 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.030 -5.962 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.313 -8.249 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.214 -8.033 -7.783 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.975 -6.368 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.543 -6.910 -5.270 1.00 0.00 H new ATOM 959 N VAL A 61 0.884 -4.447 -6.714 1.00 0.00 N ATOM 960 CA VAL A 61 1.756 -3.353 -7.223 1.00 0.00 C ATOM 961 C VAL A 61 3.194 -3.781 -6.961 1.00 0.00 C ATOM 962 O VAL A 61 3.476 -4.949 -6.822 1.00 0.00 O ATOM 963 CB VAL A 61 1.465 -2.035 -6.478 1.00 0.00 C ATOM 964 CG1 VAL A 61 0.541 -1.156 -7.318 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.805 -2.329 -5.131 1.00 0.00 C ATOM 0 H VAL A 61 0.927 -4.594 -5.705 1.00 0.00 H new ATOM 0 HA VAL A 61 1.575 -3.182 -8.284 1.00 0.00 H new ATOM 0 HB VAL A 61 2.406 -1.512 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.340 -0.227 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.020 -0.932 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.397 -1.682 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.603 -1.392 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.132 -2.863 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.472 -2.943 -4.525 1.00 0.00 H new ATOM 975 N SER A 62 4.105 -2.868 -6.878 1.00 0.00 N ATOM 976 CA SER A 62 5.504 -3.263 -6.604 1.00 0.00 C ATOM 977 C SER A 62 6.166 -2.137 -5.803 1.00 0.00 C ATOM 978 O SER A 62 5.617 -1.063 -5.666 1.00 0.00 O ATOM 979 CB SER A 62 6.231 -3.472 -7.935 1.00 0.00 C ATOM 980 OG SER A 62 5.922 -2.389 -8.809 1.00 0.00 O ATOM 0 H SER A 62 3.945 -1.867 -6.987 1.00 0.00 H new ATOM 0 HA SER A 62 5.546 -4.191 -6.034 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.307 -3.528 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.927 -4.417 -8.385 1.00 0.00 H new ATOM 0 HG SER A 62 6.386 -2.515 -9.663 1.00 0.00 H new ATOM 986 N PHE A 63 7.342 -2.358 -5.286 1.00 0.00 N ATOM 987 CA PHE A 63 8.032 -1.285 -4.513 1.00 0.00 C ATOM 988 C PHE A 63 8.510 -0.195 -5.488 1.00 0.00 C ATOM 989 O PHE A 63 9.169 0.742 -5.105 1.00 0.00 O ATOM 990 CB PHE A 63 9.233 -1.901 -3.790 1.00 0.00 C ATOM 991 CG PHE A 63 9.650 -1.098 -2.561 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.728 -0.753 -1.553 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.993 -0.731 -2.416 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.156 -0.045 -0.422 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.416 -0.019 -1.287 1.00 0.00 C ATOM 996 CZ PHE A 63 10.497 0.321 -0.289 1.00 0.00 C ATOM 0 H PHE A 63 7.856 -3.235 -5.365 1.00 0.00 H new ATOM 0 HA PHE A 63 7.354 -0.842 -3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.988 -2.920 -3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.074 -1.966 -4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.690 -1.035 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.708 -0.999 -3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.447 0.218 0.349 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.452 0.268 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.824 0.866 0.584 1.00 0.00 H new ATOM 1006 N GLU A 64 8.188 -0.314 -6.753 1.00 0.00 N ATOM 1007 CA GLU A 64 8.607 0.723 -7.737 1.00 0.00 C ATOM 1008 C GLU A 64 7.589 1.877 -7.723 1.00 0.00 C ATOM 1009 O GLU A 64 7.898 2.992 -8.096 1.00 0.00 O ATOM 1010 CB GLU A 64 8.674 0.105 -9.137 1.00 0.00 C ATOM 1011 CG GLU A 64 9.536 0.985 -10.046 1.00 0.00 C ATOM 1012 CD GLU A 64 10.933 0.377 -10.175 1.00 0.00 C ATOM 1013 OE1 GLU A 64 11.054 -0.641 -10.835 1.00 0.00 O ATOM 1014 OE2 GLU A 64 11.857 0.940 -9.611 1.00 0.00 O ATOM 0 H GLU A 64 7.651 -1.088 -7.144 1.00 0.00 H new ATOM 0 HA GLU A 64 9.592 1.106 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.093 -0.900 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.671 0.009 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.074 1.072 -11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.604 1.993 -9.636 1.00 0.00 H new ATOM 1021 N GLU A 65 6.372 1.613 -7.303 1.00 0.00 N ATOM 1022 CA GLU A 65 5.326 2.691 -7.274 1.00 0.00 C ATOM 1023 C GLU A 65 4.896 2.960 -5.826 1.00 0.00 C ATOM 1024 O GLU A 65 4.463 4.043 -5.485 1.00 0.00 O ATOM 1025 CB GLU A 65 4.092 2.272 -8.092 1.00 0.00 C ATOM 1026 CG GLU A 65 4.348 0.950 -8.826 1.00 0.00 C ATOM 1027 CD GLU A 65 5.308 1.193 -9.992 1.00 0.00 C ATOM 1028 OE1 GLU A 65 5.521 2.347 -10.329 1.00 0.00 O ATOM 1029 OE2 GLU A 65 5.813 0.222 -10.530 1.00 0.00 O ATOM 0 H GLU A 65 6.057 0.698 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 65 5.754 3.594 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.231 2.166 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.846 3.052 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.771 0.216 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.408 0.538 -9.194 1.00 0.00 H new ATOM 1036 N PHE A 66 5.018 1.979 -4.976 1.00 0.00 N ATOM 1037 CA PHE A 66 4.634 2.131 -3.531 1.00 0.00 C ATOM 1038 C PHE A 66 5.375 3.307 -2.848 1.00 0.00 C ATOM 1039 O PHE A 66 5.213 3.540 -1.668 1.00 0.00 O ATOM 1040 CB PHE A 66 5.029 0.828 -2.830 1.00 0.00 C ATOM 1041 CG PHE A 66 4.554 0.829 -1.397 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.184 0.832 -1.123 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.480 0.844 -0.342 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.733 0.857 0.197 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.027 0.861 0.979 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.652 0.873 1.247 1.00 0.00 C ATOM 0 H PHE A 66 5.375 1.055 -5.221 1.00 0.00 H new ATOM 0 HA PHE A 66 3.566 2.338 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.599 -0.021 -3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.112 0.707 -2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.472 0.815 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.540 0.842 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.673 0.864 0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.736 0.865 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.302 0.895 2.269 1.00 0.00 H new ATOM 1056 N GLN A 67 6.196 4.031 -3.563 1.00 0.00 N ATOM 1057 CA GLN A 67 6.955 5.163 -2.931 1.00 0.00 C ATOM 1058 C GLN A 67 6.118 6.438 -2.895 1.00 0.00 C ATOM 1059 O GLN A 67 6.332 7.305 -2.072 1.00 0.00 O ATOM 1060 CB GLN A 67 8.297 5.471 -3.598 1.00 0.00 C ATOM 1061 CG GLN A 67 8.599 4.554 -4.771 1.00 0.00 C ATOM 1062 CD GLN A 67 8.349 3.059 -4.472 1.00 0.00 C ATOM 1063 OE1 GLN A 67 7.632 2.423 -5.219 1.00 0.00 O ATOM 1064 NE2 GLN A 67 8.868 2.449 -3.432 1.00 0.00 N ATOM 0 H GLN A 67 6.377 3.891 -4.557 1.00 0.00 H new ATOM 0 HA GLN A 67 7.170 4.819 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.297 6.505 -3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.093 5.381 -2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.986 4.853 -5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.640 4.687 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.473 2.961 -2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.666 1.463 -3.266 1.00 0.00 H new ATOM 1073 N VAL A 68 5.179 6.581 -3.775 1.00 0.00 N ATOM 1074 CA VAL A 68 4.349 7.817 -3.738 1.00 0.00 C ATOM 1075 C VAL A 68 3.837 7.970 -2.306 1.00 0.00 C ATOM 1076 O VAL A 68 3.572 9.054 -1.824 1.00 0.00 O ATOM 1077 CB VAL A 68 3.166 7.688 -4.696 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.718 9.082 -5.129 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.590 6.883 -5.926 1.00 0.00 C ATOM 0 H VAL A 68 4.948 5.912 -4.509 1.00 0.00 H new ATOM 0 HA VAL A 68 4.936 8.684 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 68 2.343 7.177 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.874 8.997 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.418 9.656 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.542 9.589 -5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.746 6.791 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.411 7.394 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.916 5.890 -5.616 1.00 0.00 H new ATOM 1089 N LEU A 69 3.724 6.862 -1.627 1.00 0.00 N ATOM 1090 CA LEU A 69 3.262 6.852 -0.211 1.00 0.00 C ATOM 1091 C LEU A 69 4.454 7.122 0.679 1.00 0.00 C ATOM 1092 O LEU A 69 4.334 7.628 1.769 1.00 0.00 O ATOM 1093 CB LEU A 69 2.785 5.443 0.121 1.00 0.00 C ATOM 1094 CG LEU A 69 1.544 5.441 1.034 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.695 4.309 2.047 1.00 0.00 C ATOM 1096 CD2 LEU A 69 1.404 6.764 1.801 1.00 0.00 C ATOM 0 H LEU A 69 3.938 5.939 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 69 2.475 7.592 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.553 4.914 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.592 4.895 0.608 1.00 0.00 H new ATOM 0 HG LEU A 69 0.658 5.309 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.825 4.290 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.773 3.358 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.595 4.470 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.518 6.725 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.287 6.920 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.308 7.587 1.093 1.00 0.00 H new ATOM 1108 N VAL A 70 5.600 6.715 0.237 1.00 0.00 N ATOM 1109 CA VAL A 70 6.818 6.893 1.061 1.00 0.00 C ATOM 1110 C VAL A 70 6.865 8.344 1.549 1.00 0.00 C ATOM 1111 O VAL A 70 6.976 8.601 2.726 1.00 0.00 O ATOM 1112 CB VAL A 70 8.089 6.525 0.240 1.00 0.00 C ATOM 1113 CG1 VAL A 70 9.032 7.724 0.078 1.00 0.00 C ATOM 1114 CG2 VAL A 70 8.848 5.409 0.958 1.00 0.00 C ATOM 0 H VAL A 70 5.749 6.263 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 70 6.790 6.227 1.923 1.00 0.00 H new ATOM 0 HB VAL A 70 7.762 6.205 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.906 7.424 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.512 8.529 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.350 8.072 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.739 5.148 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.141 5.749 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.206 4.533 1.049 1.00 0.00 H new ATOM 1124 N LYS A 71 6.751 9.295 0.656 1.00 0.00 N ATOM 1125 CA LYS A 71 6.780 10.732 1.085 1.00 0.00 C ATOM 1126 C LYS A 71 5.430 11.131 1.698 1.00 0.00 C ATOM 1127 O LYS A 71 5.034 12.280 1.665 1.00 0.00 O ATOM 1128 CB LYS A 71 7.099 11.649 -0.108 1.00 0.00 C ATOM 1129 CG LYS A 71 6.584 11.040 -1.416 1.00 0.00 C ATOM 1130 CD LYS A 71 6.738 12.058 -2.548 1.00 0.00 C ATOM 1131 CE LYS A 71 8.152 12.654 -2.511 1.00 0.00 C ATOM 1132 NZ LYS A 71 9.154 11.551 -2.456 1.00 0.00 N ATOM 0 H LYS A 71 6.640 9.143 -0.346 1.00 0.00 H new ATOM 0 HA LYS A 71 7.563 10.847 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.643 12.627 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.176 11.806 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.140 10.132 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.538 10.754 -1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.559 11.578 -3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.995 12.849 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.322 13.270 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.262 13.304 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.972 11.795 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.468 11.416 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.722 10.672 -2.806 1.00 0.00 H new ATOM 1146 N LYS A 72 4.736 10.187 2.267 1.00 0.00 N ATOM 1147 CA LYS A 72 3.434 10.460 2.901 1.00 0.00 C ATOM 1148 C LYS A 72 3.476 9.936 4.343 1.00 0.00 C ATOM 1149 O LYS A 72 2.465 9.861 5.013 1.00 0.00 O ATOM 1150 CB LYS A 72 2.341 9.729 2.126 1.00 0.00 C ATOM 1151 CG LYS A 72 1.642 10.715 1.199 1.00 0.00 C ATOM 1152 CD LYS A 72 2.681 11.476 0.376 1.00 0.00 C ATOM 1153 CE LYS A 72 2.026 12.026 -0.890 1.00 0.00 C ATOM 1154 NZ LYS A 72 2.953 11.854 -2.044 1.00 0.00 N ATOM 0 H LYS A 72 5.033 9.212 2.316 1.00 0.00 H new ATOM 0 HA LYS A 72 3.227 11.530 2.899 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.772 8.911 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.622 9.287 2.816 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.958 10.184 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.043 11.414 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.100 12.292 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.507 10.815 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.088 11.505 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.784 13.081 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.460 12.102 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.778 12.476 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.269 10.864 -2.091 1.00 0.00 H new ATOM 1168 N ILE A 73 4.638 9.539 4.822 1.00 0.00 N ATOM 1169 CA ILE A 73 4.720 8.987 6.211 1.00 0.00 C ATOM 1170 C ILE A 73 5.367 9.937 7.168 1.00 0.00 C ATOM 1171 O ILE A 73 4.974 10.055 8.312 1.00 0.00 O ATOM 1172 CB ILE A 73 5.670 7.803 6.265 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.635 7.021 4.977 1.00 0.00 C ATOM 1174 CG2 ILE A 73 5.327 6.933 7.459 1.00 0.00 C ATOM 1175 CD1 ILE A 73 4.402 6.116 4.934 1.00 0.00 C ATOM 0 H ILE A 73 5.522 9.574 4.314 1.00 0.00 H new ATOM 0 HA ILE A 73 3.687 8.756 6.471 1.00 0.00 H new ATOM 0 HB ILE A 73 6.690 8.168 6.385 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.621 7.706 4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.539 6.419 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.009 6.083 7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.423 7.517 8.374 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.303 6.572 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.392 5.559 3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.433 5.419 5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.501 6.725 5.003 1.00 0.00 H new ATOM 1187 N SER A 74 6.459 10.481 6.746 1.00 0.00 N ATOM 1188 CA SER A 74 7.270 11.285 7.657 1.00 0.00 C ATOM 1189 C SER A 74 6.403 12.059 8.663 1.00 0.00 C ATOM 1190 O SER A 74 6.650 12.036 9.852 1.00 0.00 O ATOM 1191 CB SER A 74 8.151 12.256 6.873 1.00 0.00 C ATOM 1192 OG SER A 74 9.421 12.355 7.502 1.00 0.00 O ATOM 0 H SER A 74 6.823 10.398 5.797 1.00 0.00 H new ATOM 0 HA SER A 74 7.903 10.598 8.220 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.268 11.910 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.678 13.237 6.827 1.00 0.00 H new ATOM 0 HG SER A 74 9.996 11.623 7.195 1.00 0.00 H new ATOM 1198 N GLN A 75 5.393 12.745 8.198 1.00 0.00 N ATOM 1199 CA GLN A 75 4.525 13.514 9.137 1.00 0.00 C ATOM 1200 C GLN A 75 3.104 12.949 9.099 1.00 0.00 C ATOM 1201 O GLN A 75 2.789 12.256 8.145 1.00 0.00 O ATOM 1202 CB GLN A 75 4.500 14.987 8.723 1.00 0.00 C ATOM 1203 CG GLN A 75 5.920 15.449 8.396 1.00 0.00 C ATOM 1204 CD GLN A 75 5.958 16.975 8.312 1.00 0.00 C ATOM 1205 OE1 GLN A 75 5.142 17.579 7.642 1.00 0.00 O ATOM 1206 NE2 GLN A 75 6.875 17.631 8.969 1.00 0.00 N ATOM 1207 OXT GLN A 75 2.356 13.219 10.024 1.00 0.00 O ATOM 0 H GLN A 75 5.132 12.806 7.214 1.00 0.00 H new ATOM 0 HA GLN A 75 4.923 13.429 10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.854 15.121 7.855 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.085 15.595 9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.612 15.100 9.162 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.246 15.015 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.560 17.125 9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.907 18.649 8.920 1.00 0.00 H new TER 1216 GLN A 75