USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 16 SER OG : rot 162:sc= 1.2 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.0262 USER MOD Set 2.1: A 5 GLN : amide:sc= 0.135 X(o=0.56,f=0.27) USER MOD Set 2.2: A 7 SER OG : rot 50:sc= 0.423 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.147 (180deg=-0.655) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.125 (180deg=-0.287) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 15 TYR OH : rot -135:sc= 1.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0.102 USER MOD Single : A 21 ASN : amide:sc= 0.334 K(o=0.33,f=-4.6!) USER MOD Single : A 23 TYR OH : rot 54:sc= 1.26 USER MOD Single : A 25 GLN : amide:sc= -0.966 K(o=-0.97,f=0) USER MOD Single : A 29 SER OG : rot 74:sc= 1.25 USER MOD Single : A 30 MET CE :methyl 157:sc= -0.24 (180deg=-0.93) USER MOD Single : A 51 GLN : amide:sc= 0.0526 K(o=0.053,f=-2.8) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.864 -3.670 -20.033 1.00 0.00 N ATOM 2 CA MET A 1 20.502 -3.124 -20.236 1.00 0.00 C ATOM 3 C MET A 1 19.885 -2.696 -18.905 1.00 0.00 C ATOM 4 O MET A 1 18.964 -1.876 -18.883 1.00 0.00 O ATOM 5 CB MET A 1 19.614 -4.186 -20.902 1.00 0.00 C ATOM 6 CG MET A 1 18.198 -3.722 -21.212 1.00 0.00 C ATOM 7 SD MET A 1 17.182 -5.026 -21.939 1.00 0.00 S ATOM 8 CE MET A 1 18.094 -5.373 -23.441 1.00 0.00 C ATOM 0 H1 MET A 1 22.303 -3.860 -20.956 1.00 0.00 H new ATOM 0 H2 MET A 1 22.440 -2.980 -19.511 1.00 0.00 H new ATOM 0 H3 MET A 1 21.806 -4.555 -19.489 1.00 0.00 H new ATOM 0 HA MET A 1 20.572 -2.248 -20.881 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.088 -4.508 -21.829 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.562 -5.058 -20.251 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.727 -3.368 -20.295 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.239 -2.875 -21.896 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.441 -5.875 -24.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.454 -4.439 -23.872 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.943 -6.017 -23.211 1.00 0.00 H new ATOM 17 N SER A 2 20.425 -3.240 -17.809 1.00 0.00 N ATOM 18 CA SER A 2 19.872 -3.055 -16.468 1.00 0.00 C ATOM 19 C SER A 2 18.543 -3.791 -16.354 1.00 0.00 C ATOM 20 O SER A 2 17.527 -3.369 -16.913 1.00 0.00 O ATOM 21 CB SER A 2 19.711 -1.568 -16.115 1.00 0.00 C ATOM 22 OG SER A 2 19.271 -1.393 -14.776 1.00 0.00 O ATOM 0 H SER A 2 21.262 -3.823 -17.830 1.00 0.00 H new ATOM 0 HA SER A 2 20.575 -3.475 -15.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.662 -1.055 -16.256 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.996 -1.107 -16.797 1.00 0.00 H new ATOM 0 HG SER A 2 19.180 -0.436 -14.584 1.00 0.00 H new ATOM 28 N ALA A 3 18.570 -4.915 -15.650 1.00 0.00 N ATOM 29 CA ALA A 3 17.392 -5.751 -15.492 1.00 0.00 C ATOM 30 C ALA A 3 16.290 -5.023 -14.732 1.00 0.00 C ATOM 31 O ALA A 3 16.376 -4.845 -13.515 1.00 0.00 O ATOM 32 CB ALA A 3 17.757 -7.046 -14.781 1.00 0.00 C ATOM 0 H ALA A 3 19.402 -5.269 -15.177 1.00 0.00 H new ATOM 0 HA ALA A 3 17.012 -5.985 -16.486 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.866 -7.663 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 3 18.501 -7.586 -15.367 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.166 -6.818 -13.797 1.00 0.00 H new ATOM 38 N LEU A 4 15.277 -4.576 -15.462 1.00 0.00 N ATOM 39 CA LEU A 4 14.085 -4.016 -14.844 1.00 0.00 C ATOM 40 C LEU A 4 13.257 -5.155 -14.274 1.00 0.00 C ATOM 41 O LEU A 4 12.565 -5.863 -15.009 1.00 0.00 O ATOM 42 CB LEU A 4 13.269 -3.216 -15.866 1.00 0.00 C ATOM 43 CG LEU A 4 14.028 -2.080 -16.558 1.00 0.00 C ATOM 44 CD1 LEU A 4 13.124 -1.362 -17.546 1.00 0.00 C ATOM 45 CD2 LEU A 4 14.584 -1.103 -15.533 1.00 0.00 C ATOM 0 H LEU A 4 15.258 -4.591 -16.482 1.00 0.00 H new ATOM 0 HA LEU A 4 14.373 -3.332 -14.045 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.898 -3.901 -16.628 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.397 -2.796 -15.363 1.00 0.00 H new ATOM 0 HG LEU A 4 14.865 -2.511 -17.107 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.679 -0.558 -18.029 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.777 -2.068 -18.301 1.00 0.00 H new ATOM 0 HD13 LEU A 4 12.267 -0.945 -17.018 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.120 -0.304 -16.045 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.764 -0.678 -14.954 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.267 -1.627 -14.864 1.00 0.00 H new ATOM 57 N GLN A 5 13.349 -5.342 -12.969 1.00 0.00 N ATOM 58 CA GLN A 5 12.835 -6.549 -12.344 1.00 0.00 C ATOM 59 C GLN A 5 11.853 -6.256 -11.219 1.00 0.00 C ATOM 60 O GLN A 5 12.207 -5.638 -10.212 1.00 0.00 O ATOM 61 CB GLN A 5 14.003 -7.382 -11.802 1.00 0.00 C ATOM 62 CG GLN A 5 14.942 -6.598 -10.895 1.00 0.00 C ATOM 63 CD GLN A 5 15.996 -7.467 -10.240 1.00 0.00 C ATOM 64 OE1 GLN A 5 17.078 -7.670 -10.789 1.00 0.00 O ATOM 65 NE2 GLN A 5 15.697 -7.968 -9.052 1.00 0.00 N ATOM 0 H GLN A 5 13.773 -4.676 -12.323 1.00 0.00 H new ATOM 0 HA GLN A 5 12.292 -7.103 -13.109 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.605 -8.234 -11.250 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.572 -7.783 -12.641 1.00 0.00 H new ATOM 0 HG2 GLN A 5 15.433 -5.818 -11.477 1.00 0.00 H new ATOM 0 HG3 GLN A 5 14.358 -6.099 -10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.788 -7.776 -8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.376 -8.547 -8.557 1.00 0.00 H new ATOM 74 N PRO A 6 10.598 -6.700 -11.376 1.00 0.00 N ATOM 75 CA PRO A 6 9.653 -6.747 -10.271 1.00 0.00 C ATOM 76 C PRO A 6 10.178 -7.698 -9.205 1.00 0.00 C ATOM 77 O PRO A 6 10.183 -8.918 -9.392 1.00 0.00 O ATOM 78 CB PRO A 6 8.359 -7.276 -10.900 1.00 0.00 C ATOM 79 CG PRO A 6 8.780 -7.916 -12.180 1.00 0.00 C ATOM 80 CD PRO A 6 10.009 -7.179 -12.634 1.00 0.00 C ATOM 0 HA PRO A 6 9.498 -5.782 -9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 6 7.867 -7.994 -10.244 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.649 -6.468 -11.078 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.993 -8.975 -12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.989 -7.850 -12.927 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.693 -7.832 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.760 -6.354 -13.302 1.00 0.00 H new ATOM 88 N SER A 7 10.648 -7.145 -8.103 1.00 0.00 N ATOM 89 CA SER A 7 11.446 -7.894 -7.176 1.00 0.00 C ATOM 90 C SER A 7 10.606 -8.596 -6.112 1.00 0.00 C ATOM 91 O SER A 7 10.149 -9.719 -6.317 1.00 0.00 O ATOM 92 CB SER A 7 12.470 -6.957 -6.555 1.00 0.00 C ATOM 93 OG SER A 7 13.391 -6.489 -7.530 1.00 0.00 O ATOM 0 H SER A 7 10.485 -6.174 -7.835 1.00 0.00 H new ATOM 0 HA SER A 7 11.956 -8.692 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.961 -6.110 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.008 -7.475 -5.761 1.00 0.00 H new ATOM 0 HG SER A 7 12.900 -6.142 -8.304 1.00 0.00 H new ATOM 99 N ARG A 8 10.372 -7.927 -4.990 1.00 0.00 N ATOM 100 CA ARG A 8 9.760 -8.581 -3.847 1.00 0.00 C ATOM 101 C ARG A 8 8.284 -8.249 -3.741 1.00 0.00 C ATOM 102 O ARG A 8 7.832 -7.198 -4.197 1.00 0.00 O ATOM 103 CB ARG A 8 10.466 -8.190 -2.546 1.00 0.00 C ATOM 104 CG ARG A 8 11.778 -8.921 -2.285 1.00 0.00 C ATOM 105 CD ARG A 8 12.865 -8.539 -3.284 1.00 0.00 C ATOM 106 NE ARG A 8 14.204 -8.790 -2.756 1.00 0.00 N ATOM 107 CZ ARG A 8 15.322 -8.790 -3.480 1.00 0.00 C ATOM 108 NH1 ARG A 8 15.278 -8.696 -4.805 1.00 0.00 N ATOM 109 NH2 ARG A 8 16.491 -8.921 -2.873 1.00 0.00 N ATOM 0 H ARG A 8 10.595 -6.942 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 8 9.865 -9.655 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.661 -7.118 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.790 -8.378 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.121 -8.696 -1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.607 -9.997 -2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.726 -9.105 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.768 -7.484 -3.540 1.00 0.00 H new ATOM 0 HE ARG A 8 14.289 -8.980 -1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 8 14.379 -8.622 -5.281 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.143 -8.697 -5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.531 -9.021 -1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.352 -8.922 -3.420 1.00 0.00 H new ATOM 123 N SER A 9 7.545 -9.155 -3.134 1.00 0.00 N ATOM 124 CA SER A 9 6.130 -8.958 -2.905 1.00 0.00 C ATOM 125 C SER A 9 5.893 -8.630 -1.437 1.00 0.00 C ATOM 126 O SER A 9 6.435 -9.292 -0.550 1.00 0.00 O ATOM 127 CB SER A 9 5.349 -10.209 -3.310 1.00 0.00 C ATOM 128 OG SER A 9 5.611 -10.562 -4.661 1.00 0.00 O ATOM 0 H SER A 9 7.907 -10.044 -2.788 1.00 0.00 H new ATOM 0 HA SER A 9 5.779 -8.125 -3.515 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.619 -11.038 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.281 -10.033 -3.177 1.00 0.00 H new ATOM 0 HG SER A 9 5.101 -11.366 -4.894 1.00 0.00 H new ATOM 134 N TYR A 10 5.118 -7.593 -1.184 1.00 0.00 N ATOM 135 CA TYR A 10 4.827 -7.178 0.176 1.00 0.00 C ATOM 136 C TYR A 10 3.342 -7.355 0.457 1.00 0.00 C ATOM 137 O TYR A 10 2.500 -6.953 -0.345 1.00 0.00 O ATOM 138 CB TYR A 10 5.231 -5.715 0.383 1.00 0.00 C ATOM 139 CG TYR A 10 6.639 -5.408 -0.082 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.738 -5.817 0.658 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.862 -4.717 -1.265 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.026 -5.546 0.232 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.146 -4.441 -1.698 1.00 0.00 C ATOM 144 CZ TYR A 10 9.225 -4.858 -0.947 1.00 0.00 C ATOM 145 OH TYR A 10 10.507 -4.590 -1.376 1.00 0.00 O ATOM 0 H TYR A 10 4.677 -7.021 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 10 5.400 -7.797 0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.531 -5.073 -0.153 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.144 -5.468 1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.586 -6.356 1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.020 -4.390 -1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.872 -5.872 0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.303 -3.901 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 10 10.472 -4.099 -2.224 1.00 0.00 H new ATOM 155 N ARG A 11 3.031 -7.963 1.586 1.00 0.00 N ATOM 156 CA ARG A 11 1.651 -8.239 1.951 1.00 0.00 C ATOM 157 C ARG A 11 1.130 -7.203 2.934 1.00 0.00 C ATOM 158 O ARG A 11 1.873 -6.695 3.776 1.00 0.00 O ATOM 159 CB ARG A 11 1.530 -9.647 2.536 1.00 0.00 C ATOM 160 CG ARG A 11 2.642 -10.000 3.508 1.00 0.00 C ATOM 161 CD ARG A 11 2.560 -11.448 3.943 1.00 0.00 C ATOM 162 NE ARG A 11 3.699 -11.846 4.776 1.00 0.00 N ATOM 163 CZ ARG A 11 3.831 -13.055 5.315 1.00 0.00 C ATOM 164 NH1 ARG A 11 2.927 -13.996 5.063 1.00 0.00 N ATOM 165 NH2 ARG A 11 4.881 -13.335 6.085 1.00 0.00 N ATOM 0 H ARG A 11 3.718 -8.277 2.271 1.00 0.00 H new ATOM 0 HA ARG A 11 1.040 -8.182 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.571 -9.738 3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.528 -10.371 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.609 -9.814 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.581 -9.352 4.383 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.635 -11.606 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.517 -12.088 3.061 1.00 0.00 H new ATOM 0 HE ARG A 11 4.431 -11.158 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.133 -13.791 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.027 -14.923 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.588 -12.621 6.263 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.979 -14.263 6.496 1.00 0.00 H new ATOM 179 N ILE A 12 -0.151 -6.895 2.816 1.00 0.00 N ATOM 180 CA ILE A 12 -0.770 -5.880 3.654 1.00 0.00 C ATOM 181 C ILE A 12 -1.401 -6.523 4.884 1.00 0.00 C ATOM 182 O ILE A 12 -2.295 -7.361 4.761 1.00 0.00 O ATOM 183 CB ILE A 12 -1.867 -5.107 2.882 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.368 -4.704 1.489 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.302 -3.877 3.671 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.402 -3.974 0.658 1.00 0.00 C ATOM 0 H ILE A 12 -0.784 -7.334 2.147 1.00 0.00 H new ATOM 0 HA ILE A 12 0.013 -5.183 3.955 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.728 -5.763 2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.489 -4.069 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.051 -5.599 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.074 -3.343 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.699 -4.187 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.445 -3.221 3.824 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.976 -3.722 -0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.273 -4.614 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.702 -3.060 1.171 1.00 0.00 H new ATOM 198 N THR A 13 -0.936 -6.140 6.066 1.00 0.00 N ATOM 199 CA THR A 13 -1.480 -6.679 7.304 1.00 0.00 C ATOM 200 C THR A 13 -2.599 -5.801 7.854 1.00 0.00 C ATOM 201 O THR A 13 -3.410 -6.248 8.668 1.00 0.00 O ATOM 202 CB THR A 13 -0.384 -6.839 8.370 1.00 0.00 C ATOM 203 OG1 THR A 13 0.463 -5.682 8.372 1.00 0.00 O ATOM 204 CG2 THR A 13 0.446 -8.082 8.104 1.00 0.00 C ATOM 0 H THR A 13 -0.186 -5.460 6.193 1.00 0.00 H new ATOM 0 HA THR A 13 -1.891 -7.660 7.067 1.00 0.00 H new ATOM 0 HB THR A 13 -0.861 -6.943 9.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.159 -5.787 9.054 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.216 -8.176 8.870 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.198 -8.961 8.127 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.917 -8.002 7.124 1.00 0.00 H new ATOM 212 N GLY A 14 -2.644 -4.557 7.402 1.00 0.00 N ATOM 213 CA GLY A 14 -3.676 -3.643 7.848 1.00 0.00 C ATOM 214 C GLY A 14 -3.346 -2.207 7.515 1.00 0.00 C ATOM 215 O GLY A 14 -2.636 -1.939 6.544 1.00 0.00 O ATOM 0 H GLY A 14 -1.983 -4.163 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.624 -3.914 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.808 -3.744 8.925 1.00 0.00 H new ATOM 219 N TYR A 15 -3.852 -1.284 8.317 1.00 0.00 N ATOM 220 CA TYR A 15 -3.607 0.135 8.101 1.00 0.00 C ATOM 221 C TYR A 15 -2.810 0.714 9.258 1.00 0.00 C ATOM 222 O TYR A 15 -2.873 0.213 10.384 1.00 0.00 O ATOM 223 CB TYR A 15 -4.924 0.902 7.954 1.00 0.00 C ATOM 224 CG TYR A 15 -5.802 0.422 6.819 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.690 -0.631 6.998 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.753 1.029 5.572 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.498 -1.065 5.967 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.563 0.603 4.537 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.432 -0.446 4.739 1.00 0.00 C ATOM 230 OH TYR A 15 -8.244 -0.873 3.711 1.00 0.00 O ATOM 0 H TYR A 15 -4.437 -1.492 9.126 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.036 0.240 7.179 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.482 0.824 8.887 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.701 1.958 7.803 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.749 -1.118 7.960 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.070 1.849 5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.180 -1.888 6.123 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.515 1.090 3.574 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.717 -0.949 2.888 1.00 0.00 H new ATOM 240 N SER A 16 -2.062 1.762 8.977 1.00 0.00 N ATOM 241 CA SER A 16 -1.262 2.422 9.979 1.00 0.00 C ATOM 242 C SER A 16 -2.132 3.336 10.842 1.00 0.00 C ATOM 243 O SER A 16 -3.130 3.871 10.370 1.00 0.00 O ATOM 244 CB SER A 16 -0.164 3.216 9.284 1.00 0.00 C ATOM 245 OG SER A 16 0.642 2.365 8.480 1.00 0.00 O ATOM 0 H SER A 16 -1.994 2.177 8.048 1.00 0.00 H new ATOM 0 HA SER A 16 -0.810 1.680 10.637 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.609 3.995 8.665 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.456 3.716 10.028 1.00 0.00 H new ATOM 0 HG SER A 16 1.137 2.904 7.828 1.00 0.00 H new ATOM 251 N PRO A 17 -1.747 3.544 12.114 1.00 0.00 N ATOM 252 CA PRO A 17 -2.537 4.333 13.077 1.00 0.00 C ATOM 253 C PRO A 17 -2.550 5.834 12.775 1.00 0.00 C ATOM 254 O PRO A 17 -2.991 6.637 13.599 1.00 0.00 O ATOM 255 CB PRO A 17 -1.831 4.072 14.407 1.00 0.00 C ATOM 256 CG PRO A 17 -0.428 3.753 14.030 1.00 0.00 C ATOM 257 CD PRO A 17 -0.511 3.017 12.723 1.00 0.00 C ATOM 0 HA PRO A 17 -3.587 4.042 13.056 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.878 4.944 15.059 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.294 3.246 14.946 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.166 4.661 13.930 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.052 3.141 14.793 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.360 3.210 12.097 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.564 1.938 12.871 1.00 0.00 H new ATOM 265 N ALA A 18 -2.069 6.209 11.600 1.00 0.00 N ATOM 266 CA ALA A 18 -2.051 7.609 11.197 1.00 0.00 C ATOM 267 C ALA A 18 -3.120 7.890 10.144 1.00 0.00 C ATOM 268 O ALA A 18 -3.244 9.014 9.657 1.00 0.00 O ATOM 269 CB ALA A 18 -0.676 7.991 10.673 1.00 0.00 C ATOM 0 H ALA A 18 -1.686 5.565 10.908 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.273 8.217 12.074 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.678 9.040 10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.067 7.837 11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.430 7.370 9.811 1.00 0.00 H new ATOM 275 N ILE A 19 -3.895 6.868 9.800 1.00 0.00 N ATOM 276 CA ILE A 19 -4.935 7.013 8.791 1.00 0.00 C ATOM 277 C ILE A 19 -6.255 7.452 9.432 1.00 0.00 C ATOM 278 O ILE A 19 -6.590 7.035 10.546 1.00 0.00 O ATOM 279 CB ILE A 19 -5.139 5.702 7.994 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.079 5.932 6.809 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.676 4.596 8.895 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.241 4.718 5.921 1.00 0.00 C ATOM 0 H ILE A 19 -3.823 5.934 10.204 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.608 7.785 8.094 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.169 5.386 7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.058 6.230 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.701 6.761 6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.811 3.685 8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.968 4.409 9.702 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.634 4.902 9.316 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.921 4.954 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.271 4.432 5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.649 3.892 6.504 1.00 0.00 H new ATOM 294 N SER A 20 -6.994 8.302 8.729 1.00 0.00 N ATOM 295 CA SER A 20 -8.251 8.834 9.235 1.00 0.00 C ATOM 296 C SER A 20 -9.130 9.274 8.064 1.00 0.00 C ATOM 297 O SER A 20 -8.765 9.051 6.906 1.00 0.00 O ATOM 298 CB SER A 20 -7.969 10.012 10.180 1.00 0.00 C ATOM 299 OG SER A 20 -9.144 10.448 10.849 1.00 0.00 O ATOM 0 H SER A 20 -6.741 8.639 7.800 1.00 0.00 H new ATOM 0 HA SER A 20 -8.780 8.062 9.793 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.221 9.716 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.547 10.840 9.611 1.00 0.00 H new ATOM 0 HG SER A 20 -8.924 11.197 11.442 1.00 0.00 H new ATOM 305 N ASN A 21 -10.279 9.884 8.370 1.00 0.00 N ATOM 306 CA ASN A 21 -11.215 10.369 7.348 1.00 0.00 C ATOM 307 C ASN A 21 -11.715 9.189 6.499 1.00 0.00 C ATOM 308 O ASN A 21 -11.704 8.044 6.959 1.00 0.00 O ATOM 309 CB ASN A 21 -10.528 11.438 6.476 1.00 0.00 C ATOM 310 CG ASN A 21 -11.510 12.356 5.760 1.00 0.00 C ATOM 311 OD1 ASN A 21 -11.934 12.081 4.639 1.00 0.00 O ATOM 312 ND2 ASN A 21 -11.869 13.457 6.400 1.00 0.00 N ATOM 0 H ASN A 21 -10.587 10.055 9.327 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.078 10.829 7.829 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.870 12.040 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.899 10.943 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.519 14.111 5.964 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.496 13.651 7.329 1.00 0.00 H new ATOM 319 N GLY A 22 -12.150 9.460 5.273 1.00 0.00 N ATOM 320 CA GLY A 22 -12.610 8.397 4.391 1.00 0.00 C ATOM 321 C GLY A 22 -11.483 7.831 3.545 1.00 0.00 C ATOM 322 O GLY A 22 -11.713 7.249 2.483 1.00 0.00 O ATOM 0 H GLY A 22 -12.193 10.397 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.053 7.598 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.395 8.781 3.739 1.00 0.00 H new ATOM 326 N TYR A 23 -10.260 7.988 4.030 1.00 0.00 N ATOM 327 CA TYR A 23 -9.077 7.562 3.296 1.00 0.00 C ATOM 328 C TYR A 23 -9.022 6.040 3.209 1.00 0.00 C ATOM 329 O TYR A 23 -8.651 5.479 2.177 1.00 0.00 O ATOM 330 CB TYR A 23 -7.825 8.105 3.983 1.00 0.00 C ATOM 331 CG TYR A 23 -6.619 8.241 3.078 1.00 0.00 C ATOM 332 CD1 TYR A 23 -5.862 7.135 2.716 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.233 9.486 2.597 1.00 0.00 C ATOM 334 CE1 TYR A 23 -4.754 7.268 1.902 1.00 0.00 C ATOM 335 CE2 TYR A 23 -5.125 9.626 1.785 1.00 0.00 C ATOM 336 CZ TYR A 23 -4.392 8.514 1.440 1.00 0.00 C ATOM 337 OH TYR A 23 -3.284 8.645 0.641 1.00 0.00 O ATOM 0 H TYR A 23 -10.060 8.411 4.936 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.126 7.958 2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.055 9.081 4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.568 7.447 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.143 6.156 3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.810 10.360 2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.174 6.399 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.836 10.602 1.423 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.360 8.039 -0.126 1.00 0.00 H new ATOM 347 N ARG A 24 -9.422 5.381 4.288 1.00 0.00 N ATOM 348 CA ARG A 24 -9.445 3.930 4.343 1.00 0.00 C ATOM 349 C ARG A 24 -10.452 3.393 3.341 1.00 0.00 C ATOM 350 O ARG A 24 -10.208 2.393 2.673 1.00 0.00 O ATOM 351 CB ARG A 24 -9.813 3.469 5.755 1.00 0.00 C ATOM 352 CG ARG A 24 -9.768 1.964 5.938 1.00 0.00 C ATOM 353 CD ARG A 24 -10.173 1.548 7.345 1.00 0.00 C ATOM 354 NE ARG A 24 -9.268 2.086 8.365 1.00 0.00 N ATOM 355 CZ ARG A 24 -8.702 1.354 9.330 1.00 0.00 C ATOM 356 NH1 ARG A 24 -8.960 0.053 9.426 1.00 0.00 N ATOM 357 NH2 ARG A 24 -7.878 1.928 10.198 1.00 0.00 N ATOM 0 H ARG A 24 -9.738 5.836 5.144 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.456 3.546 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.131 3.933 6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.815 3.825 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.432 1.491 5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.761 1.603 5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.188 1.891 7.545 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.186 0.460 7.411 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.056 3.083 8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.593 -0.392 8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.525 -0.500 10.164 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.678 2.926 10.128 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.445 1.371 10.935 1.00 0.00 H new ATOM 371 N GLN A 25 -11.573 4.085 3.229 1.00 0.00 N ATOM 372 CA GLN A 25 -12.614 3.700 2.299 1.00 0.00 C ATOM 373 C GLN A 25 -12.166 3.931 0.863 1.00 0.00 C ATOM 374 O GLN A 25 -12.544 3.188 -0.044 1.00 0.00 O ATOM 375 CB GLN A 25 -13.886 4.475 2.602 1.00 0.00 C ATOM 376 CG GLN A 25 -14.507 4.105 3.939 1.00 0.00 C ATOM 377 CD GLN A 25 -15.772 4.886 4.250 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.666 4.388 4.933 1.00 0.00 O ATOM 379 NE2 GLN A 25 -15.857 6.112 3.761 1.00 0.00 N ATOM 0 H GLN A 25 -11.784 4.920 3.775 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.817 2.635 2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.664 5.542 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.612 4.294 1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.736 3.039 3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.778 4.277 4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.095 6.491 3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.685 6.679 3.946 1.00 0.00 H new ATOM 388 N ARG A 26 -11.344 4.952 0.662 1.00 0.00 N ATOM 389 CA ARG A 26 -10.768 5.215 -0.647 1.00 0.00 C ATOM 390 C ARG A 26 -9.835 4.072 -1.026 1.00 0.00 C ATOM 391 O ARG A 26 -9.863 3.572 -2.153 1.00 0.00 O ATOM 392 CB ARG A 26 -9.985 6.528 -0.643 1.00 0.00 C ATOM 393 CG ARG A 26 -10.200 7.374 -1.886 1.00 0.00 C ATOM 394 CD ARG A 26 -11.383 8.313 -1.712 1.00 0.00 C ATOM 395 NE ARG A 26 -11.139 9.277 -0.643 1.00 0.00 N ATOM 396 CZ ARG A 26 -12.091 9.920 0.028 1.00 0.00 C ATOM 397 NH1 ARG A 26 -13.375 9.752 -0.272 1.00 0.00 N ATOM 398 NH2 ARG A 26 -11.744 10.751 0.999 1.00 0.00 N ATOM 0 H ARG A 26 -11.062 5.610 1.388 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.577 5.295 -1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.271 7.108 0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.922 6.306 -0.545 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.300 7.953 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.370 6.726 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.571 8.842 -2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.279 7.735 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.169 9.471 -0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.644 9.122 -1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.091 10.253 0.253 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.759 10.891 1.223 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.462 11.252 1.523 1.00 0.00 H new ATOM 412 N LEU A 27 -9.024 3.653 -0.062 1.00 0.00 N ATOM 413 CA LEU A 27 -8.079 2.562 -0.259 1.00 0.00 C ATOM 414 C LEU A 27 -8.820 1.246 -0.469 1.00 0.00 C ATOM 415 O LEU A 27 -8.464 0.451 -1.336 1.00 0.00 O ATOM 416 CB LEU A 27 -7.143 2.456 0.948 1.00 0.00 C ATOM 417 CG LEU A 27 -6.226 3.662 1.172 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.361 3.452 2.404 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.357 3.907 -0.054 1.00 0.00 C ATOM 0 H LEU A 27 -9.003 4.058 0.874 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.486 2.770 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.747 2.308 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.524 1.567 0.830 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.849 4.542 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.716 4.319 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.999 3.325 3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.747 2.561 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.712 4.768 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.743 3.027 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.993 4.102 -0.918 1.00 0.00 H new ATOM 431 N PHE A 28 -9.864 1.044 0.324 1.00 0.00 N ATOM 432 CA PHE A 28 -10.713 -0.138 0.221 1.00 0.00 C ATOM 433 C PHE A 28 -11.273 -0.264 -1.189 1.00 0.00 C ATOM 434 O PHE A 28 -11.268 -1.343 -1.782 1.00 0.00 O ATOM 435 CB PHE A 28 -11.857 -0.028 1.228 1.00 0.00 C ATOM 436 CG PHE A 28 -12.645 -1.291 1.420 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.241 -2.239 2.344 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.798 -1.524 0.684 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.969 -3.395 2.534 1.00 0.00 C ATOM 440 CE2 PHE A 28 -14.528 -2.681 0.869 1.00 0.00 C ATOM 441 CZ PHE A 28 -14.114 -3.618 1.796 1.00 0.00 C ATOM 0 H PHE A 28 -10.147 1.694 1.057 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.119 -1.026 0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.448 0.279 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.535 0.762 0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.345 -2.072 2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.127 -0.794 -0.040 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.643 -4.125 3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.423 -2.854 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 28 -14.685 -4.523 1.943 1.00 0.00 H new ATOM 451 N SER A 29 -11.739 0.858 -1.717 1.00 0.00 N ATOM 452 CA SER A 29 -12.272 0.922 -3.070 1.00 0.00 C ATOM 453 C SER A 29 -11.207 0.554 -4.103 1.00 0.00 C ATOM 454 O SER A 29 -11.506 -0.037 -5.142 1.00 0.00 O ATOM 455 CB SER A 29 -12.794 2.329 -3.349 1.00 0.00 C ATOM 456 OG SER A 29 -13.804 2.692 -2.419 1.00 0.00 O ATOM 0 H SER A 29 -11.758 1.749 -1.220 1.00 0.00 H new ATOM 0 HA SER A 29 -13.087 0.202 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.972 3.043 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.193 2.378 -4.362 1.00 0.00 H new ATOM 0 HG SER A 29 -13.395 2.878 -1.548 1.00 0.00 H new ATOM 462 N MET A 30 -9.967 0.904 -3.802 1.00 0.00 N ATOM 463 CA MET A 30 -8.852 0.635 -4.700 1.00 0.00 C ATOM 464 C MET A 30 -8.341 -0.796 -4.540 1.00 0.00 C ATOM 465 O MET A 30 -7.546 -1.273 -5.349 1.00 0.00 O ATOM 466 CB MET A 30 -7.712 1.622 -4.441 1.00 0.00 C ATOM 467 CG MET A 30 -8.031 3.050 -4.851 1.00 0.00 C ATOM 468 SD MET A 30 -6.635 4.168 -4.617 1.00 0.00 S ATOM 469 CE MET A 30 -5.411 3.410 -5.685 1.00 0.00 C ATOM 0 H MET A 30 -9.705 1.378 -2.938 1.00 0.00 H new ATOM 0 HA MET A 30 -9.212 0.758 -5.721 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.464 1.606 -3.380 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.826 1.288 -4.981 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.332 3.065 -5.899 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.881 3.409 -4.271 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.670 4.155 -5.975 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.918 2.596 -5.153 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.899 3.018 -6.577 1.00 0.00 H new ATOM 479 N GLY A 31 -8.792 -1.469 -3.491 1.00 0.00 N ATOM 480 CA GLY A 31 -8.372 -2.836 -3.248 1.00 0.00 C ATOM 481 C GLY A 31 -7.195 -2.906 -2.298 1.00 0.00 C ATOM 482 O GLY A 31 -6.582 -3.960 -2.125 1.00 0.00 O ATOM 0 H GLY A 31 -9.443 -1.093 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.206 -3.404 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.103 -3.307 -4.194 1.00 0.00 H new ATOM 486 N LEU A 32 -6.888 -1.780 -1.671 1.00 0.00 N ATOM 487 CA LEU A 32 -5.783 -1.709 -0.734 1.00 0.00 C ATOM 488 C LEU A 32 -6.285 -1.985 0.677 1.00 0.00 C ATOM 489 O LEU A 32 -6.715 -1.078 1.392 1.00 0.00 O ATOM 490 CB LEU A 32 -5.102 -0.341 -0.812 1.00 0.00 C ATOM 491 CG LEU A 32 -4.526 0.015 -2.185 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.884 1.393 -2.157 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.516 -1.031 -2.634 1.00 0.00 C ATOM 0 H LEU A 32 -7.392 -0.902 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.045 -2.467 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.824 0.425 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.297 -0.309 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.347 0.031 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.481 1.627 -3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.632 2.138 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.078 1.404 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.120 -0.758 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.700 -1.082 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.004 -2.004 -2.699 1.00 0.00 H new ATOM 505 N LEU A 33 -6.266 -3.251 1.052 1.00 0.00 N ATOM 506 CA LEU A 33 -6.792 -3.683 2.333 1.00 0.00 C ATOM 507 C LEU A 33 -5.970 -4.844 2.893 1.00 0.00 C ATOM 508 O LEU A 33 -5.225 -5.495 2.156 1.00 0.00 O ATOM 509 CB LEU A 33 -8.274 -4.073 2.177 1.00 0.00 C ATOM 510 CG LEU A 33 -8.634 -4.850 0.901 1.00 0.00 C ATOM 511 CD1 LEU A 33 -8.112 -6.278 0.951 1.00 0.00 C ATOM 512 CD2 LEU A 33 -10.138 -4.841 0.687 1.00 0.00 C ATOM 0 H LEU A 33 -5.887 -4.005 0.480 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.721 -2.860 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.564 -4.674 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.874 -3.163 2.206 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.153 -4.352 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.385 -6.798 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.027 -6.265 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.550 -6.796 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.380 -5.395 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.630 -5.309 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.485 -3.813 0.588 1.00 0.00 H new ATOM 524 N PRO A 34 -6.072 -5.097 4.209 1.00 0.00 N ATOM 525 CA PRO A 34 -5.385 -6.216 4.859 1.00 0.00 C ATOM 526 C PRO A 34 -5.771 -7.557 4.246 1.00 0.00 C ATOM 527 O PRO A 34 -6.955 -7.883 4.115 1.00 0.00 O ATOM 528 CB PRO A 34 -5.847 -6.141 6.319 1.00 0.00 C ATOM 529 CG PRO A 34 -7.050 -5.262 6.309 1.00 0.00 C ATOM 530 CD PRO A 34 -6.853 -4.307 5.171 1.00 0.00 C ATOM 0 HA PRO A 34 -4.303 -6.145 4.747 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.087 -7.131 6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.065 -5.730 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.960 -5.847 6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.151 -4.728 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.803 -3.981 4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.319 -3.410 5.485 1.00 0.00 H new ATOM 538 N GLY A 35 -4.767 -8.333 3.873 1.00 0.00 N ATOM 539 CA GLY A 35 -5.009 -9.597 3.216 1.00 0.00 C ATOM 540 C GLY A 35 -4.554 -9.572 1.775 1.00 0.00 C ATOM 541 O GLY A 35 -4.435 -10.614 1.133 1.00 0.00 O ATOM 0 H GLY A 35 -3.782 -8.107 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.486 -10.391 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.073 -9.832 3.258 1.00 0.00 H new ATOM 545 N ALA A 36 -4.296 -8.374 1.263 1.00 0.00 N ATOM 546 CA ALA A 36 -3.826 -8.210 -0.089 1.00 0.00 C ATOM 547 C ALA A 36 -2.308 -8.168 -0.114 1.00 0.00 C ATOM 548 O ALA A 36 -1.651 -8.253 0.926 1.00 0.00 O ATOM 549 CB ALA A 36 -4.406 -6.942 -0.693 1.00 0.00 C ATOM 0 H ALA A 36 -4.409 -7.500 1.777 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.157 -9.060 -0.685 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.045 -6.827 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.494 -7.006 -0.698 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.096 -6.082 -0.100 1.00 0.00 H new ATOM 555 N ALA A 37 -1.769 -8.018 -1.299 1.00 0.00 N ATOM 556 CA ALA A 37 -0.330 -8.007 -1.500 1.00 0.00 C ATOM 557 C ALA A 37 0.031 -7.237 -2.763 1.00 0.00 C ATOM 558 O ALA A 37 -0.724 -7.235 -3.736 1.00 0.00 O ATOM 559 CB ALA A 37 0.209 -9.427 -1.579 1.00 0.00 C ATOM 0 H ALA A 37 -2.311 -7.900 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 37 0.128 -7.507 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.288 -9.399 -1.730 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.014 -9.953 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.260 -9.948 -2.413 1.00 0.00 H new ATOM 565 N LEU A 38 1.176 -6.571 -2.729 1.00 0.00 N ATOM 566 CA LEU A 38 1.676 -5.826 -3.878 1.00 0.00 C ATOM 567 C LEU A 38 3.131 -6.190 -4.135 1.00 0.00 C ATOM 568 O LEU A 38 3.947 -6.222 -3.212 1.00 0.00 O ATOM 569 CB LEU A 38 1.568 -4.316 -3.639 1.00 0.00 C ATOM 570 CG LEU A 38 0.170 -3.795 -3.292 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.238 -2.333 -2.885 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.780 -3.972 -4.472 1.00 0.00 C ATOM 0 H LEU A 38 1.782 -6.531 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 38 1.069 -6.089 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.247 -4.046 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.916 -3.800 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.213 -4.375 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.763 -1.976 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.883 -2.228 -2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.642 -1.744 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.767 -3.596 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.401 -3.418 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.852 -5.030 -4.726 1.00 0.00 H new ATOM 584 N ARG A 39 3.452 -6.466 -5.382 1.00 0.00 N ATOM 585 CA ARG A 39 4.817 -6.800 -5.757 1.00 0.00 C ATOM 586 C ARG A 39 5.501 -5.585 -6.360 1.00 0.00 C ATOM 587 O ARG A 39 4.969 -4.970 -7.279 1.00 0.00 O ATOM 588 CB ARG A 39 4.834 -7.961 -6.752 1.00 0.00 C ATOM 589 CG ARG A 39 6.233 -8.413 -7.143 1.00 0.00 C ATOM 590 CD ARG A 39 6.178 -9.602 -8.086 1.00 0.00 C ATOM 591 NE ARG A 39 7.503 -10.107 -8.436 1.00 0.00 N ATOM 592 CZ ARG A 39 7.706 -11.161 -9.228 1.00 0.00 C ATOM 593 NH1 ARG A 39 6.673 -11.824 -9.731 1.00 0.00 N ATOM 594 NH2 ARG A 39 8.940 -11.558 -9.511 1.00 0.00 N ATOM 0 H ARG A 39 2.788 -6.467 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 39 5.358 -7.106 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.297 -8.805 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.293 -7.665 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.765 -7.590 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.796 -8.680 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.600 -10.401 -7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.651 -9.314 -8.996 1.00 0.00 H new ATOM 0 HE ARG A 39 8.318 -9.627 -8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.722 -11.528 -9.512 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.830 -12.630 -10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.739 -11.057 -9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.090 -12.365 -10.117 1.00 0.00 H new ATOM 608 N VAL A 40 6.669 -5.237 -5.835 1.00 0.00 N ATOM 609 CA VAL A 40 7.406 -4.081 -6.326 1.00 0.00 C ATOM 610 C VAL A 40 7.875 -4.331 -7.749 1.00 0.00 C ATOM 611 O VAL A 40 8.547 -5.318 -8.034 1.00 0.00 O ATOM 612 CB VAL A 40 8.612 -3.727 -5.409 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.783 -4.675 -5.600 1.00 0.00 C ATOM 614 CG2 VAL A 40 9.040 -2.281 -5.613 1.00 0.00 C ATOM 0 H VAL A 40 7.125 -5.737 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 40 6.730 -3.226 -6.314 1.00 0.00 H new ATOM 0 HB VAL A 40 8.276 -3.846 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.598 -4.384 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.470 -5.692 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.123 -4.630 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.885 -2.056 -4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.333 -2.132 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.209 -1.618 -5.372 1.00 0.00 H new ATOM 624 N VAL A 41 7.446 -3.476 -8.651 1.00 0.00 N ATOM 625 CA VAL A 41 7.933 -3.514 -10.009 1.00 0.00 C ATOM 626 C VAL A 41 9.121 -2.575 -10.150 1.00 0.00 C ATOM 627 O VAL A 41 10.222 -3.017 -10.466 1.00 0.00 O ATOM 628 CB VAL A 41 6.842 -3.146 -11.034 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.366 -3.297 -12.459 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.607 -4.011 -10.839 1.00 0.00 C ATOM 0 H VAL A 41 6.759 -2.745 -8.466 1.00 0.00 H new ATOM 0 HA VAL A 41 8.239 -4.538 -10.222 1.00 0.00 H new ATOM 0 HB VAL A 41 6.567 -2.104 -10.872 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.580 -3.032 -13.166 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.221 -2.637 -12.604 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.672 -4.330 -12.627 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.850 -3.735 -11.573 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.873 -5.060 -10.970 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.212 -3.859 -9.835 1.00 0.00 H new ATOM 640 N ARG A 42 8.908 -1.287 -9.870 1.00 0.00 N ATOM 641 CA ARG A 42 9.981 -0.297 -9.995 1.00 0.00 C ATOM 642 C ARG A 42 9.737 0.928 -9.118 1.00 0.00 C ATOM 643 O ARG A 42 8.612 1.193 -8.690 1.00 0.00 O ATOM 644 CB ARG A 42 10.162 0.172 -11.450 1.00 0.00 C ATOM 645 CG ARG A 42 10.796 -0.860 -12.370 1.00 0.00 C ATOM 646 CD ARG A 42 11.309 -0.232 -13.655 1.00 0.00 C ATOM 647 NE ARG A 42 10.250 0.401 -14.438 1.00 0.00 N ATOM 648 CZ ARG A 42 10.470 1.362 -15.339 1.00 0.00 C ATOM 649 NH1 ARG A 42 11.698 1.842 -15.521 1.00 0.00 N ATOM 650 NH2 ARG A 42 9.463 1.855 -16.046 1.00 0.00 N ATOM 0 H ARG A 42 8.014 -0.908 -9.559 1.00 0.00 H new ATOM 0 HA ARG A 42 10.887 -0.802 -9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.188 0.450 -11.853 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.777 1.072 -11.455 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.619 -1.352 -11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.064 -1.632 -12.610 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.069 0.511 -13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.794 -0.998 -14.260 1.00 0.00 H new ATOM 0 HE ARG A 42 9.290 0.092 -14.288 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.475 1.476 -14.971 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.862 2.576 -16.210 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.517 1.500 -15.903 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.634 2.589 -16.733 1.00 0.00 H new ATOM 664 N ILE A 43 10.812 1.664 -8.856 1.00 0.00 N ATOM 665 CA ILE A 43 10.753 2.955 -8.174 1.00 0.00 C ATOM 666 C ILE A 43 11.546 3.974 -9.008 1.00 0.00 C ATOM 667 O ILE A 43 12.645 3.668 -9.477 1.00 0.00 O ATOM 668 CB ILE A 43 11.362 2.877 -6.750 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.582 1.877 -5.885 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.385 4.257 -6.092 1.00 0.00 C ATOM 671 CD1 ILE A 43 11.174 1.671 -4.507 1.00 0.00 C ATOM 0 H ILE A 43 11.757 1.380 -9.113 1.00 0.00 H new ATOM 0 HA ILE A 43 9.709 3.253 -8.074 1.00 0.00 H new ATOM 0 HB ILE A 43 12.391 2.527 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.554 2.225 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.543 0.918 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.816 4.177 -5.094 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.987 4.937 -6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.368 4.642 -6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.569 0.952 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.192 1.293 -4.601 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.188 2.620 -3.971 1.00 0.00 H new ATOM 683 N ALA A 44 10.997 5.166 -9.205 1.00 0.00 N ATOM 684 CA ALA A 44 11.638 6.175 -10.052 1.00 0.00 C ATOM 685 C ALA A 44 12.884 6.773 -9.390 1.00 0.00 C ATOM 686 O ALA A 44 12.986 6.816 -8.161 1.00 0.00 O ATOM 687 CB ALA A 44 10.652 7.278 -10.382 1.00 0.00 C ATOM 0 H ALA A 44 10.112 5.461 -8.793 1.00 0.00 H new ATOM 0 HA ALA A 44 11.956 5.678 -10.969 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.137 8.023 -11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.798 6.856 -10.912 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.311 7.749 -9.460 1.00 0.00 H new ATOM 693 N PRO A 45 13.833 7.264 -10.209 1.00 0.00 N ATOM 694 CA PRO A 45 15.096 7.855 -9.734 1.00 0.00 C ATOM 695 C PRO A 45 14.901 9.123 -8.903 1.00 0.00 C ATOM 696 O PRO A 45 15.814 9.546 -8.196 1.00 0.00 O ATOM 697 CB PRO A 45 15.855 8.192 -11.024 1.00 0.00 C ATOM 698 CG PRO A 45 15.193 7.387 -12.090 1.00 0.00 C ATOM 699 CD PRO A 45 13.757 7.265 -11.680 1.00 0.00 C ATOM 0 HA PRO A 45 15.619 7.164 -9.073 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.801 9.258 -11.245 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.911 7.937 -10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.282 7.875 -13.060 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.657 6.405 -12.183 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.159 8.096 -12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 45 13.304 6.350 -12.062 1.00 0.00 H new ATOM 707 N LEU A 46 13.713 9.732 -9.012 1.00 0.00 N ATOM 708 CA LEU A 46 13.351 10.899 -8.200 1.00 0.00 C ATOM 709 C LEU A 46 13.701 10.648 -6.748 1.00 0.00 C ATOM 710 O LEU A 46 14.364 11.449 -6.090 1.00 0.00 O ATOM 711 CB LEU A 46 11.838 11.158 -8.303 1.00 0.00 C ATOM 712 CG LEU A 46 11.340 12.516 -7.781 1.00 0.00 C ATOM 713 CD1 LEU A 46 9.970 12.827 -8.352 1.00 0.00 C ATOM 714 CD2 LEU A 46 11.264 12.540 -6.262 1.00 0.00 C ATOM 0 H LEU A 46 12.983 9.433 -9.659 1.00 0.00 H new ATOM 0 HA LEU A 46 13.902 11.764 -8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.546 11.066 -9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.319 10.371 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 46 12.057 13.271 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.629 13.791 -7.975 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.029 12.863 -9.440 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.266 12.050 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.908 13.516 -5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.575 11.767 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.254 12.354 -5.845 1.00 0.00 H new ATOM 726 N GLY A 47 13.255 9.513 -6.270 1.00 0.00 N ATOM 727 CA GLY A 47 13.360 9.191 -4.879 1.00 0.00 C ATOM 728 C GLY A 47 12.267 8.244 -4.494 1.00 0.00 C ATOM 729 O GLY A 47 12.521 7.232 -3.843 1.00 0.00 O ATOM 0 H GLY A 47 12.811 8.791 -6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.332 8.742 -4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.294 10.099 -4.280 1.00 0.00 H new ATOM 733 N ASP A 48 11.044 8.559 -4.929 1.00 0.00 N ATOM 734 CA ASP A 48 9.933 7.651 -4.724 1.00 0.00 C ATOM 735 C ASP A 48 8.640 8.090 -5.391 1.00 0.00 C ATOM 736 O ASP A 48 8.099 9.165 -5.129 1.00 0.00 O ATOM 737 CB ASP A 48 9.695 7.565 -3.216 1.00 0.00 C ATOM 738 CG ASP A 48 8.357 6.958 -2.820 1.00 0.00 C ATOM 739 OD1 ASP A 48 7.371 7.726 -2.688 1.00 0.00 O ATOM 740 OD2 ASP A 48 8.299 5.736 -2.591 1.00 0.00 O ATOM 0 H ASP A 48 10.809 9.423 -5.417 1.00 0.00 H new ATOM 0 HA ASP A 48 10.200 6.695 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.494 6.974 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.764 8.567 -2.793 1.00 0.00 H new ATOM 745 N PRO A 49 8.201 7.250 -6.324 1.00 0.00 N ATOM 746 CA PRO A 49 6.862 6.747 -6.474 1.00 0.00 C ATOM 747 C PRO A 49 6.933 5.247 -6.247 1.00 0.00 C ATOM 748 O PRO A 49 7.992 4.725 -5.892 1.00 0.00 O ATOM 749 CB PRO A 49 6.575 7.042 -7.940 1.00 0.00 C ATOM 750 CG PRO A 49 7.926 7.012 -8.600 1.00 0.00 C ATOM 751 CD PRO A 49 8.963 6.859 -7.494 1.00 0.00 C ATOM 0 HA PRO A 49 6.114 7.168 -5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.906 6.298 -8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.094 8.012 -8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.991 6.184 -9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.099 7.928 -9.166 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.334 5.837 -7.419 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.829 7.502 -7.653 1.00 0.00 H new ATOM 759 N ILE A 50 5.864 4.536 -6.468 1.00 0.00 N ATOM 760 CA ILE A 50 5.944 3.096 -6.342 1.00 0.00 C ATOM 761 C ILE A 50 5.136 2.405 -7.421 1.00 0.00 C ATOM 762 O ILE A 50 3.920 2.567 -7.512 1.00 0.00 O ATOM 763 CB ILE A 50 5.485 2.612 -4.944 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.287 3.314 -3.842 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.642 1.104 -4.826 1.00 0.00 C ATOM 766 CD1 ILE A 50 5.907 2.901 -2.441 1.00 0.00 C ATOM 0 H ILE A 50 4.951 4.908 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 50 6.993 2.828 -6.464 1.00 0.00 H new ATOM 0 HB ILE A 50 4.432 2.865 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.347 3.110 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.152 4.391 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.315 0.780 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.035 0.614 -5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.689 0.835 -4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.521 3.444 -1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.856 3.131 -2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.069 1.830 -2.321 1.00 0.00 H new ATOM 778 N GLN A 51 5.837 1.657 -8.251 1.00 0.00 N ATOM 779 CA GLN A 51 5.218 0.841 -9.275 1.00 0.00 C ATOM 780 C GLN A 51 5.082 -0.573 -8.746 1.00 0.00 C ATOM 781 O GLN A 51 6.081 -1.200 -8.419 1.00 0.00 O ATOM 782 CB GLN A 51 6.084 0.856 -10.536 1.00 0.00 C ATOM 783 CG GLN A 51 5.542 0.019 -11.685 1.00 0.00 C ATOM 784 CD GLN A 51 6.205 0.362 -13.005 1.00 0.00 C ATOM 785 OE1 GLN A 51 7.249 -0.186 -13.358 1.00 0.00 O ATOM 786 NE2 GLN A 51 5.599 1.277 -13.741 1.00 0.00 N ATOM 0 H GLN A 51 6.855 1.599 -8.233 1.00 0.00 H new ATOM 0 HA GLN A 51 4.233 1.233 -9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.193 1.887 -10.874 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.081 0.497 -10.281 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.696 -1.038 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.466 0.174 -11.769 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.735 1.707 -13.411 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.995 1.554 -14.639 1.00 0.00 H new ATOM 795 N VAL A 52 3.857 -1.065 -8.635 1.00 0.00 N ATOM 796 CA VAL A 52 3.632 -2.389 -8.071 1.00 0.00 C ATOM 797 C VAL A 52 2.627 -3.194 -8.878 1.00 0.00 C ATOM 798 O VAL A 52 1.910 -2.661 -9.723 1.00 0.00 O ATOM 799 CB VAL A 52 3.143 -2.323 -6.610 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.248 -1.857 -5.676 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.920 -1.426 -6.491 1.00 0.00 C ATOM 0 H VAL A 52 3.011 -0.574 -8.924 1.00 0.00 H new ATOM 0 HA VAL A 52 4.602 -2.886 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 52 2.859 -3.331 -6.309 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.870 -1.822 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.086 -2.552 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.581 -0.863 -5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.592 -1.394 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.174 -0.419 -6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.117 -1.821 -7.113 1.00 0.00 H new ATOM 811 N GLU A 53 2.596 -4.485 -8.599 1.00 0.00 N ATOM 812 CA GLU A 53 1.640 -5.400 -9.195 1.00 0.00 C ATOM 813 C GLU A 53 0.693 -5.901 -8.116 1.00 0.00 C ATOM 814 O GLU A 53 1.140 -6.395 -7.082 1.00 0.00 O ATOM 815 CB GLU A 53 2.373 -6.588 -9.826 1.00 0.00 C ATOM 816 CG GLU A 53 1.449 -7.629 -10.441 1.00 0.00 C ATOM 817 CD GLU A 53 2.143 -8.958 -10.683 1.00 0.00 C ATOM 818 OE1 GLU A 53 2.821 -9.104 -11.720 1.00 0.00 O ATOM 819 OE2 GLU A 53 2.005 -9.868 -9.834 1.00 0.00 O ATOM 0 H GLU A 53 3.240 -4.931 -7.946 1.00 0.00 H new ATOM 0 HA GLU A 53 1.077 -4.881 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.049 -6.217 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.989 -7.068 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.594 -7.785 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.059 -7.250 -11.386 1.00 0.00 H new ATOM 826 N THR A 54 -0.607 -5.758 -8.333 1.00 0.00 N ATOM 827 CA THR A 54 -1.575 -6.242 -7.358 1.00 0.00 C ATOM 828 C THR A 54 -1.819 -7.737 -7.560 1.00 0.00 C ATOM 829 O THR A 54 -2.122 -8.465 -6.616 1.00 0.00 O ATOM 830 CB THR A 54 -2.908 -5.459 -7.437 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.807 -5.899 -6.412 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.574 -5.625 -8.793 1.00 0.00 C ATOM 0 H THR A 54 -1.011 -5.319 -9.160 1.00 0.00 H new ATOM 0 HA THR A 54 -1.159 -6.078 -6.364 1.00 0.00 H new ATOM 0 HB THR A 54 -2.674 -4.404 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.645 -5.394 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.507 -5.062 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.910 -5.253 -9.573 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.784 -6.680 -8.969 1.00 0.00 H new ATOM 840 N ARG A 55 -1.645 -8.172 -8.807 1.00 0.00 N ATOM 841 CA ARG A 55 -1.776 -9.570 -9.197 1.00 0.00 C ATOM 842 C ARG A 55 -1.719 -9.659 -10.716 1.00 0.00 C ATOM 843 O ARG A 55 -1.056 -10.526 -11.273 1.00 0.00 O ATOM 844 CB ARG A 55 -3.095 -10.185 -8.707 1.00 0.00 C ATOM 845 CG ARG A 55 -2.941 -11.571 -8.084 1.00 0.00 C ATOM 846 CD ARG A 55 -2.128 -12.506 -8.967 1.00 0.00 C ATOM 847 NE ARG A 55 -2.090 -13.870 -8.439 1.00 0.00 N ATOM 848 CZ ARG A 55 -1.119 -14.751 -8.693 1.00 0.00 C ATOM 849 NH1 ARG A 55 -0.055 -14.395 -9.409 1.00 0.00 N ATOM 850 NH2 ARG A 55 -1.210 -15.987 -8.213 1.00 0.00 N ATOM 0 H ARG A 55 -1.406 -7.554 -9.582 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.960 -10.128 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.545 -9.516 -7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.787 -10.250 -9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.458 -11.480 -7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.927 -12.002 -7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.554 -12.518 -9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.111 -12.125 -9.058 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.857 -14.168 -7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.023 -13.443 -9.768 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.682 -15.074 -9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.019 -16.259 -7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.471 -16.664 -8.404 1.00 0.00 H new ATOM 864 N GLN A 56 -2.419 -8.746 -11.377 1.00 0.00 N ATOM 865 CA GLN A 56 -2.448 -8.721 -12.833 1.00 0.00 C ATOM 866 C GLN A 56 -2.152 -7.326 -13.380 1.00 0.00 C ATOM 867 O GLN A 56 -1.483 -7.186 -14.398 1.00 0.00 O ATOM 868 CB GLN A 56 -3.800 -9.218 -13.349 1.00 0.00 C ATOM 869 CG GLN A 56 -4.997 -8.477 -12.773 1.00 0.00 C ATOM 870 CD GLN A 56 -6.309 -8.912 -13.398 1.00 0.00 C ATOM 871 OE1 GLN A 56 -6.457 -10.053 -13.834 1.00 0.00 O ATOM 872 NE2 GLN A 56 -7.275 -8.013 -13.431 1.00 0.00 N ATOM 0 H GLN A 56 -2.972 -8.015 -10.930 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.664 -9.390 -13.189 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.818 -9.126 -14.435 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.897 -10.279 -13.117 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.039 -8.643 -11.697 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.864 -7.406 -12.925 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.113 -7.077 -13.059 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.183 -8.254 -13.828 1.00 0.00 H new ATOM 881 N THR A 57 -2.639 -6.299 -12.698 1.00 0.00 N ATOM 882 CA THR A 57 -2.456 -4.935 -13.167 1.00 0.00 C ATOM 883 C THR A 57 -1.428 -4.201 -12.308 1.00 0.00 C ATOM 884 O THR A 57 -1.158 -4.602 -11.168 1.00 0.00 O ATOM 885 CB THR A 57 -3.797 -4.159 -13.187 1.00 0.00 C ATOM 886 OG1 THR A 57 -3.629 -2.898 -13.844 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.327 -3.933 -11.779 1.00 0.00 C ATOM 0 H THR A 57 -3.160 -6.384 -11.825 1.00 0.00 H new ATOM 0 HA THR A 57 -2.083 -4.986 -14.190 1.00 0.00 H new ATOM 0 HB THR A 57 -4.521 -4.762 -13.734 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.483 -2.417 -13.852 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.269 -3.386 -11.828 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.491 -4.895 -11.293 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.602 -3.356 -11.205 1.00 0.00 H new ATOM 895 N SER A 58 -0.853 -3.141 -12.862 1.00 0.00 N ATOM 896 CA SER A 58 0.185 -2.381 -12.185 1.00 0.00 C ATOM 897 C SER A 58 -0.388 -1.091 -11.595 1.00 0.00 C ATOM 898 O SER A 58 -1.435 -0.606 -12.035 1.00 0.00 O ATOM 899 CB SER A 58 1.309 -2.058 -13.172 1.00 0.00 C ATOM 900 OG SER A 58 1.749 -3.233 -13.838 1.00 0.00 O ATOM 0 H SER A 58 -1.093 -2.787 -13.788 1.00 0.00 H new ATOM 0 HA SER A 58 0.584 -2.981 -11.367 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.959 -1.330 -13.903 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.144 -1.601 -12.642 1.00 0.00 H new ATOM 0 HG SER A 58 2.466 -3.004 -14.465 1.00 0.00 H new ATOM 906 N LEU A 59 0.294 -0.551 -10.594 1.00 0.00 N ATOM 907 CA LEU A 59 -0.128 0.686 -9.953 1.00 0.00 C ATOM 908 C LEU A 59 1.044 1.625 -9.732 1.00 0.00 C ATOM 909 O LEU A 59 2.207 1.221 -9.811 1.00 0.00 O ATOM 910 CB LEU A 59 -0.809 0.396 -8.615 1.00 0.00 C ATOM 911 CG LEU A 59 -2.327 0.274 -8.678 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.872 -0.291 -7.376 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.952 1.629 -8.970 1.00 0.00 C ATOM 0 H LEU A 59 1.147 -0.954 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.839 1.171 -10.622 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.402 -0.530 -8.210 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.552 1.190 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.586 -0.412 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.957 -0.371 -7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.445 -1.279 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.605 0.371 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.036 1.528 -9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.684 2.331 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.585 2.001 -9.927 1.00 0.00 H new ATOM 925 N ALA A 60 0.718 2.882 -9.471 1.00 0.00 N ATOM 926 CA ALA A 60 1.705 3.898 -9.130 1.00 0.00 C ATOM 927 C ALA A 60 1.145 4.798 -8.039 1.00 0.00 C ATOM 928 O ALA A 60 -0.011 5.210 -8.112 1.00 0.00 O ATOM 929 CB ALA A 60 2.078 4.718 -10.358 1.00 0.00 C ATOM 0 H ALA A 60 -0.241 3.228 -9.490 1.00 0.00 H new ATOM 0 HA ALA A 60 2.609 3.410 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.816 5.471 -10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.497 4.061 -11.120 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.188 5.209 -10.752 1.00 0.00 H new ATOM 935 N LEU A 61 1.950 5.104 -7.030 1.00 0.00 N ATOM 936 CA LEU A 61 1.475 5.877 -5.893 1.00 0.00 C ATOM 937 C LEU A 61 2.654 6.501 -5.171 1.00 0.00 C ATOM 938 O LEU A 61 3.801 6.306 -5.571 1.00 0.00 O ATOM 939 CB LEU A 61 0.661 5.009 -4.915 1.00 0.00 C ATOM 940 CG LEU A 61 1.428 3.885 -4.206 1.00 0.00 C ATOM 941 CD1 LEU A 61 0.691 3.454 -2.947 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.624 2.684 -5.125 1.00 0.00 C ATOM 0 H LEU A 61 2.931 4.829 -6.977 1.00 0.00 H new ATOM 0 HA LEU A 61 0.816 6.659 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.230 5.661 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.170 4.564 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 61 2.410 4.273 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.247 2.656 -2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.600 4.303 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.303 3.093 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.171 1.905 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.652 2.299 -5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.190 2.988 -6.006 1.00 0.00 H new ATOM 954 N ARG A 62 2.373 7.259 -4.127 1.00 0.00 N ATOM 955 CA ARG A 62 3.425 7.892 -3.363 1.00 0.00 C ATOM 956 C ARG A 62 3.590 7.274 -1.991 1.00 0.00 C ATOM 957 O ARG A 62 2.755 6.493 -1.527 1.00 0.00 O ATOM 958 CB ARG A 62 3.163 9.383 -3.244 1.00 0.00 C ATOM 959 CG ARG A 62 3.422 10.111 -4.541 1.00 0.00 C ATOM 960 CD ARG A 62 4.895 10.060 -4.910 1.00 0.00 C ATOM 961 NE ARG A 62 5.133 10.488 -6.286 1.00 0.00 N ATOM 962 CZ ARG A 62 5.828 11.571 -6.620 1.00 0.00 C ATOM 963 NH1 ARG A 62 6.299 12.380 -5.681 1.00 0.00 N ATOM 964 NH2 ARG A 62 6.037 11.844 -7.903 1.00 0.00 N ATOM 0 H ARG A 62 1.429 7.449 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 62 4.359 7.732 -3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.130 9.546 -2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.797 9.801 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.828 9.664 -5.338 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.102 11.149 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.461 10.697 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.266 9.044 -4.778 1.00 0.00 H new ATOM 0 HE ARG A 62 4.742 9.921 -7.038 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.129 12.173 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.832 13.210 -5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.665 11.225 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.569 12.673 -8.168 1.00 0.00 H new ATOM 978 N ARG A 63 4.675 7.662 -1.351 1.00 0.00 N ATOM 979 CA ARG A 63 5.084 7.102 -0.070 1.00 0.00 C ATOM 980 C ARG A 63 4.042 7.329 1.021 1.00 0.00 C ATOM 981 O ARG A 63 3.826 6.458 1.855 1.00 0.00 O ATOM 982 CB ARG A 63 6.428 7.701 0.341 1.00 0.00 C ATOM 983 CG ARG A 63 6.385 9.196 0.602 1.00 0.00 C ATOM 984 CD ARG A 63 7.721 9.850 0.309 1.00 0.00 C ATOM 985 NE ARG A 63 8.016 9.869 -1.122 1.00 0.00 N ATOM 986 CZ ARG A 63 8.776 10.791 -1.711 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.433 11.680 -0.976 1.00 0.00 N ATOM 988 NH2 ARG A 63 8.921 10.794 -3.030 1.00 0.00 N ATOM 0 H ARG A 63 5.306 8.381 -1.705 1.00 0.00 H new ATOM 0 HA ARG A 63 5.182 6.023 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.779 7.196 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.158 7.500 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.612 9.652 -0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.110 9.377 1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.718 10.870 0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.511 9.314 0.835 1.00 0.00 H new ATOM 0 HE ARG A 63 7.616 9.133 -1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.356 11.658 0.041 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.015 12.385 -1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.450 10.089 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.504 11.502 -3.477 1.00 0.00 H new ATOM 1002 N LYS A 64 3.398 8.492 1.008 1.00 0.00 N ATOM 1003 CA LYS A 64 2.363 8.803 1.995 1.00 0.00 C ATOM 1004 C LYS A 64 1.225 7.794 1.917 1.00 0.00 C ATOM 1005 O LYS A 64 0.772 7.265 2.932 1.00 0.00 O ATOM 1006 CB LYS A 64 1.799 10.209 1.773 1.00 0.00 C ATOM 1007 CG LYS A 64 0.661 10.548 2.726 1.00 0.00 C ATOM 1008 CD LYS A 64 -0.101 11.785 2.282 1.00 0.00 C ATOM 1009 CE LYS A 64 0.767 13.030 2.328 1.00 0.00 C ATOM 1010 NZ LYS A 64 0.026 14.232 1.870 1.00 0.00 N ATOM 0 H LYS A 64 3.572 9.233 0.329 1.00 0.00 H new ATOM 0 HA LYS A 64 2.826 8.754 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.599 10.939 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.444 10.295 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.024 9.703 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.061 10.708 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.472 11.638 1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.971 11.925 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.123 13.188 3.346 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.647 12.884 1.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.650 15.063 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.293 14.091 0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.800 14.386 2.484 1.00 0.00 H new ATOM 1024 N ASP A 65 0.787 7.528 0.697 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.347 6.647 0.451 1.00 0.00 C ATOM 1026 C ASP A 65 -0.001 5.221 0.856 1.00 0.00 C ATOM 1027 O ASP A 65 -0.829 4.495 1.399 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.724 6.726 -1.033 1.00 0.00 C ATOM 1029 CG ASP A 65 -2.065 6.101 -1.364 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -3.084 6.528 -0.782 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -2.116 5.238 -2.263 1.00 0.00 O ATOM 0 H ASP A 65 1.205 7.915 -0.149 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.201 6.962 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.737 7.772 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.050 6.232 -1.620 1.00 0.00 H new ATOM 1036 N LEU A 66 1.243 4.842 0.608 1.00 0.00 N ATOM 1037 CA LEU A 66 1.732 3.531 1.003 1.00 0.00 C ATOM 1038 C LEU A 66 1.897 3.451 2.518 1.00 0.00 C ATOM 1039 O LEU A 66 1.610 2.427 3.132 1.00 0.00 O ATOM 1040 CB LEU A 66 3.080 3.245 0.344 1.00 0.00 C ATOM 1041 CG LEU A 66 3.506 1.781 0.384 1.00 0.00 C ATOM 1042 CD1 LEU A 66 3.008 1.053 -0.854 1.00 0.00 C ATOM 1043 CD2 LEU A 66 5.015 1.656 0.526 1.00 0.00 C ATOM 0 H LEU A 66 1.933 5.425 0.134 1.00 0.00 H new ATOM 0 HA LEU A 66 1.000 2.791 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.038 3.570 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.845 3.846 0.835 1.00 0.00 H new ATOM 0 HG LEU A 66 3.055 1.314 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.319 0.009 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.920 1.106 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.427 1.521 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.292 0.602 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.501 2.138 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.335 2.138 1.450 1.00 0.00 H new ATOM 1055 N ALA A 67 2.366 4.545 3.105 1.00 0.00 N ATOM 1056 CA ALA A 67 2.679 4.595 4.528 1.00 0.00 C ATOM 1057 C ALA A 67 1.435 4.475 5.392 1.00 0.00 C ATOM 1058 O ALA A 67 1.523 4.113 6.567 1.00 0.00 O ATOM 1059 CB ALA A 67 3.427 5.876 4.866 1.00 0.00 C ATOM 0 H ALA A 67 2.540 5.420 2.610 1.00 0.00 H new ATOM 0 HA ALA A 67 3.316 3.738 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.652 5.895 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.357 5.915 4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.809 6.737 4.610 1.00 0.00 H new ATOM 1065 N LEU A 68 0.275 4.790 4.831 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.967 4.642 5.573 1.00 0.00 C ATOM 1067 C LEU A 68 -1.414 3.185 5.583 1.00 0.00 C ATOM 1068 O LEU A 68 -2.290 2.795 6.358 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.051 5.561 5.009 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.769 7.057 5.193 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.932 7.894 4.696 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -1.480 7.371 6.653 1.00 0.00 C ATOM 0 H LEU A 68 0.169 5.144 3.880 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.791 4.942 6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.169 5.354 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.000 5.321 5.488 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.889 7.308 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.706 8.951 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.096 7.697 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.831 7.636 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.282 8.437 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.342 7.097 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.609 6.804 6.981 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.787 2.381 4.735 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.979 0.941 4.750 1.00 0.00 C ATOM 1086 C LEU A 69 0.144 0.290 5.543 1.00 0.00 C ATOM 1087 O LEU A 69 1.303 0.686 5.426 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.976 0.380 3.323 1.00 0.00 C ATOM 1089 CG LEU A 69 -2.112 0.858 2.423 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.854 0.444 0.984 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.439 0.294 2.904 1.00 0.00 C ATOM 0 H LEU A 69 -0.135 2.708 4.022 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.941 0.723 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.029 0.641 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.015 -0.708 3.380 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.159 1.946 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.672 0.791 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.918 0.885 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.786 -0.642 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.240 0.643 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.401 -0.795 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.628 0.629 3.924 1.00 0.00 H new ATOM 1103 N THR A 70 -0.185 -0.690 6.363 1.00 0.00 N ATOM 1104 CA THR A 70 0.844 -1.451 7.042 1.00 0.00 C ATOM 1105 C THR A 70 1.260 -2.616 6.163 1.00 0.00 C ATOM 1106 O THR A 70 0.469 -3.528 5.899 1.00 0.00 O ATOM 1107 CB THR A 70 0.370 -1.986 8.398 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.244 -0.932 9.151 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.539 -2.557 9.187 1.00 0.00 C ATOM 0 H THR A 70 -1.142 -0.974 6.573 1.00 0.00 H new ATOM 0 HA THR A 70 1.686 -0.783 7.226 1.00 0.00 H new ATOM 0 HB THR A 70 -0.356 -2.779 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.546 -1.281 10.016 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.182 -2.932 10.146 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.993 -3.373 8.625 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.280 -1.776 9.356 1.00 0.00 H new ATOM 1117 N LEU A 71 2.496 -2.571 5.707 1.00 0.00 N ATOM 1118 CA LEU A 71 3.005 -3.559 4.775 1.00 0.00 C ATOM 1119 C LEU A 71 4.144 -4.346 5.390 1.00 0.00 C ATOM 1120 O LEU A 71 5.053 -3.777 5.997 1.00 0.00 O ATOM 1121 CB LEU A 71 3.511 -2.891 3.496 1.00 0.00 C ATOM 1122 CG LEU A 71 2.494 -2.036 2.749 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.119 -1.468 1.492 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.255 -2.843 2.407 1.00 0.00 C ATOM 0 H LEU A 71 3.172 -1.854 5.969 1.00 0.00 H new ATOM 0 HA LEU A 71 2.182 -4.232 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.367 -2.266 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.871 -3.667 2.821 1.00 0.00 H new ATOM 0 HG LEU A 71 2.192 -1.213 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.385 -0.858 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.978 -0.852 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.444 -2.284 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.545 -2.211 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.533 -3.687 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.796 -3.211 3.324 1.00 0.00 H new ATOM 1136 N VAL A 72 4.092 -5.652 5.228 1.00 0.00 N ATOM 1137 CA VAL A 72 5.197 -6.507 5.614 1.00 0.00 C ATOM 1138 C VAL A 72 5.612 -7.356 4.425 1.00 0.00 C ATOM 1139 O VAL A 72 4.765 -7.823 3.665 1.00 0.00 O ATOM 1140 CB VAL A 72 4.854 -7.418 6.822 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.625 -6.590 8.077 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.637 -8.281 6.530 1.00 0.00 C ATOM 0 H VAL A 72 3.294 -6.147 4.830 1.00 0.00 H new ATOM 0 HA VAL A 72 6.019 -5.863 5.927 1.00 0.00 H new ATOM 0 HB VAL A 72 5.706 -8.076 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.386 -7.251 8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.527 -6.025 8.310 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.797 -5.900 7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.420 -8.909 7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.779 -7.642 6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.838 -8.912 5.664 1.00 0.00 H new ATOM 1152 N PRO A 73 6.914 -7.537 4.213 1.00 0.00 N ATOM 1153 CA PRO A 73 7.403 -8.372 3.123 1.00 0.00 C ATOM 1154 C PRO A 73 7.009 -9.828 3.323 1.00 0.00 C ATOM 1155 O PRO A 73 6.576 -10.217 4.411 1.00 0.00 O ATOM 1156 CB PRO A 73 8.924 -8.207 3.186 1.00 0.00 C ATOM 1157 CG PRO A 73 9.210 -7.745 4.572 1.00 0.00 C ATOM 1158 CD PRO A 73 8.008 -6.953 5.007 1.00 0.00 C ATOM 0 HA PRO A 73 6.985 -8.083 2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.431 -9.148 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.272 -7.483 2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.380 -8.592 5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.111 -7.132 4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.826 -7.052 6.077 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.131 -5.890 4.802 1.00 0.00 H new ATOM 1166 N LEU A 74 7.125 -10.620 2.265 1.00 0.00 N ATOM 1167 CA LEU A 74 6.888 -12.055 2.348 1.00 0.00 C ATOM 1168 C LEU A 74 7.698 -12.693 3.477 1.00 0.00 C ATOM 1169 O LEU A 74 7.262 -13.668 4.085 1.00 0.00 O ATOM 1170 CB LEU A 74 7.236 -12.725 1.022 1.00 0.00 C ATOM 1171 CG LEU A 74 6.328 -12.364 -0.155 1.00 0.00 C ATOM 1172 CD1 LEU A 74 6.808 -13.049 -1.426 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.884 -12.744 0.143 1.00 0.00 C ATOM 0 H LEU A 74 7.383 -10.291 1.335 1.00 0.00 H new ATOM 0 HA LEU A 74 5.830 -12.203 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.262 -12.464 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.208 -13.806 1.162 1.00 0.00 H new ATOM 0 HG LEU A 74 6.373 -11.285 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.151 -12.782 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.825 -12.727 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.792 -14.130 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.255 -12.479 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.820 -13.817 0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.542 -12.208 1.029 1.00 0.00 H new ATOM 1185 N ASP A 75 8.870 -12.140 3.756 1.00 0.00 N ATOM 1186 CA ASP A 75 9.710 -12.648 4.830 1.00 0.00 C ATOM 1187 C ASP A 75 10.201 -11.509 5.712 1.00 0.00 C ATOM 1188 O ASP A 75 11.198 -10.856 5.342 1.00 0.00 O ATOM 1189 CB ASP A 75 10.901 -13.424 4.273 1.00 0.00 C ATOM 1190 CG ASP A 75 11.742 -14.032 5.377 1.00 0.00 C ATOM 1191 OD1 ASP A 75 11.196 -14.826 6.171 1.00 0.00 O ATOM 1192 OD2 ASP A 75 12.952 -13.741 5.445 1.00 0.00 O ATOM 1193 OXT ASP A 75 9.582 -11.270 6.769 1.00 0.00 O ATOM 0 H ASP A 75 9.260 -11.342 3.255 1.00 0.00 H new ATOM 0 HA ASP A 75 9.105 -13.326 5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.543 -14.213 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.519 -12.758 3.670 1.00 0.00 H new TER 1198 ASP A 75