USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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 6 LYS NZ :NH3+ -176:sc= 1.65 (180deg=1.52) USER MOD Set 1.2: A 58 TYR OH : rot 39:sc= -0.1 USER MOD Set 2.1: A 1 MET N :NH3+ 139:sc= 0.887 (180deg=-0.0166) USER MOD Set 2.2: A 3 SER OG : rot 46:sc= 0.899 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.103 (180deg=-0.592) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 0.551 (180deg=0.27) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -73:sc= 0.519 USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= 1.13 (180deg=-0.425!) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0174 (180deg=-0.241) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 1.14 (180deg=1.01) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.11) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.15) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0216 USER MOD Single : A 52 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.8!) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0.449 (180deg=0.115) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.458 7.433 5.346 1.00 0.00 N ATOM 2 CA MET A 1 -13.204 5.983 5.315 1.00 0.00 C ATOM 3 C MET A 1 -11.728 5.695 5.064 1.00 0.00 C ATOM 4 O MET A 1 -10.912 5.771 5.986 1.00 0.00 O ATOM 5 CB MET A 1 -14.087 5.253 4.283 1.00 0.00 C ATOM 6 CG MET A 1 -15.573 5.263 4.586 1.00 0.00 C ATOM 7 SD MET A 1 -16.558 4.412 3.327 1.00 0.00 S ATOM 8 CE MET A 1 -15.902 2.747 3.444 1.00 0.00 C ATOM 0 H1 MET A 1 -14.345 7.641 4.844 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.536 7.751 6.333 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.672 7.933 4.883 1.00 0.00 H new ATOM 0 HA MET A 1 -13.473 5.594 6.297 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.928 5.708 3.305 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.754 4.218 4.210 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.744 4.791 5.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.914 6.295 4.670 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.607 2.046 2.998 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.951 2.692 2.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.748 2.489 4.492 1.00 0.00 H new ATOM 20 N SER A 2 -11.359 5.425 3.811 1.00 0.00 N ATOM 21 CA SER A 2 -9.969 5.172 3.477 1.00 0.00 C ATOM 22 C SER A 2 -9.274 6.485 3.146 1.00 0.00 C ATOM 23 O SER A 2 -8.073 6.527 2.917 1.00 0.00 O ATOM 24 CB SER A 2 -9.870 4.190 2.315 1.00 0.00 C ATOM 25 OG SER A 2 -10.485 2.950 2.646 1.00 0.00 O ATOM 0 H SER A 2 -12.002 5.378 3.021 1.00 0.00 H new ATOM 0 HA SER A 2 -9.470 4.722 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.349 4.614 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.823 4.025 2.061 1.00 0.00 H new ATOM 0 HG SER A 2 -10.412 2.335 1.886 1.00 0.00 H new ATOM 31 N SER A 3 -10.065 7.536 3.112 1.00 0.00 N ATOM 32 CA SER A 3 -9.624 8.880 2.919 1.00 0.00 C ATOM 33 C SER A 3 -8.580 9.249 3.977 1.00 0.00 C ATOM 34 O SER A 3 -8.824 9.120 5.180 1.00 0.00 O ATOM 35 CB SER A 3 -10.862 9.764 2.998 1.00 0.00 C ATOM 36 OG SER A 3 -11.726 9.293 4.045 1.00 0.00 O ATOM 0 H SER A 3 -11.076 7.462 3.224 1.00 0.00 H new ATOM 0 HA SER A 3 -9.139 9.012 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.572 10.797 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.390 9.753 2.045 1.00 0.00 H new ATOM 0 HG SER A 3 -11.195 9.104 4.847 1.00 0.00 H new ATOM 42 N GLY A 4 -7.417 9.623 3.528 1.00 0.00 N ATOM 43 CA GLY A 4 -6.328 9.926 4.416 1.00 0.00 C ATOM 44 C GLY A 4 -5.305 8.833 4.328 1.00 0.00 C ATOM 45 O GLY A 4 -4.087 9.093 4.342 1.00 0.00 O ATOM 0 H GLY A 4 -7.195 9.727 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.880 10.883 4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.692 10.019 5.439 1.00 0.00 H new ATOM 49 N LYS A 5 -5.824 7.613 4.160 1.00 0.00 N ATOM 50 CA LYS A 5 -5.069 6.377 4.029 1.00 0.00 C ATOM 51 C LYS A 5 -4.236 6.108 5.279 1.00 0.00 C ATOM 52 O LYS A 5 -4.499 6.658 6.355 1.00 0.00 O ATOM 53 CB LYS A 5 -4.201 6.395 2.762 1.00 0.00 C ATOM 54 CG LYS A 5 -4.957 6.700 1.481 1.00 0.00 C ATOM 55 CD LYS A 5 -4.023 6.703 0.287 1.00 0.00 C ATOM 56 CE LYS A 5 -4.751 7.082 -0.985 1.00 0.00 C ATOM 57 NZ LYS A 5 -3.888 6.947 -2.172 1.00 0.00 N ATOM 0 H LYS A 5 -6.831 7.460 4.110 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.778 5.556 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.413 7.137 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.713 5.426 2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.741 5.958 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.448 7.670 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.207 7.404 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.575 5.716 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.631 6.450 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.105 8.110 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.470 6.999 -3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.187 7.716 -2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.397 6.031 -2.142 1.00 0.00 H new ATOM 71 N LYS A 6 -3.269 5.255 5.151 1.00 0.00 N ATOM 72 CA LYS A 6 -2.431 4.880 6.255 1.00 0.00 C ATOM 73 C LYS A 6 -0.963 5.019 5.892 1.00 0.00 C ATOM 74 O LYS A 6 -0.437 4.261 5.076 1.00 0.00 O ATOM 75 CB LYS A 6 -2.777 3.463 6.743 1.00 0.00 C ATOM 76 CG LYS A 6 -2.982 2.463 5.622 1.00 0.00 C ATOM 77 CD LYS A 6 -3.305 1.086 6.143 1.00 0.00 C ATOM 78 CE LYS A 6 -3.726 0.164 5.015 1.00 0.00 C ATOM 79 NZ LYS A 6 -2.703 0.042 3.954 1.00 0.00 N ATOM 0 H LYS A 6 -3.034 4.794 4.272 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.621 5.562 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.978 3.107 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.683 3.508 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.790 2.804 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.082 2.416 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.434 0.672 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -4.104 1.151 6.882 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.939 -0.825 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.653 0.535 4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.074 -0.545 3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.467 0.987 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.848 -0.401 4.346 1.00 0.00 H new ATOM 93 N PRO A 7 -0.294 6.028 6.445 1.00 0.00 N ATOM 94 CA PRO A 7 1.113 6.241 6.194 1.00 0.00 C ATOM 95 C PRO A 7 1.978 5.220 6.915 1.00 0.00 C ATOM 96 O PRO A 7 1.540 4.581 7.892 1.00 0.00 O ATOM 97 CB PRO A 7 1.375 7.654 6.717 1.00 0.00 C ATOM 98 CG PRO A 7 0.320 7.896 7.735 1.00 0.00 C ATOM 99 CD PRO A 7 -0.863 7.048 7.352 1.00 0.00 C ATOM 0 HA PRO A 7 1.362 6.129 5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.370 7.733 7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.321 8.388 5.913 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.677 7.633 8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.046 8.951 7.763 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.326 6.591 8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.633 7.638 6.856 1.00 0.00 H new ATOM 107 N VAL A 8 3.170 5.055 6.431 1.00 0.00 N ATOM 108 CA VAL A 8 4.104 4.134 7.000 1.00 0.00 C ATOM 109 C VAL A 8 5.434 4.848 7.146 1.00 0.00 C ATOM 110 O VAL A 8 5.712 5.805 6.398 1.00 0.00 O ATOM 111 CB VAL A 8 4.249 2.847 6.103 1.00 0.00 C ATOM 112 CG1 VAL A 8 4.810 3.167 4.729 1.00 0.00 C ATOM 113 CG2 VAL A 8 5.071 1.758 6.788 1.00 0.00 C ATOM 0 H VAL A 8 3.526 5.562 5.620 1.00 0.00 H new ATOM 0 HA VAL A 8 3.750 3.800 7.976 1.00 0.00 H new ATOM 0 HB VAL A 8 3.240 2.458 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.892 2.249 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.145 3.863 4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.796 3.619 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.144 0.890 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.071 2.137 7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.586 1.468 7.720 1.00 0.00 H new ATOM 123 N LYS A 9 6.215 4.444 8.116 1.00 0.00 N ATOM 124 CA LYS A 9 7.514 5.001 8.317 1.00 0.00 C ATOM 125 C LYS A 9 8.428 4.446 7.255 1.00 0.00 C ATOM 126 O LYS A 9 8.748 3.249 7.241 1.00 0.00 O ATOM 127 CB LYS A 9 8.009 4.660 9.714 1.00 0.00 C ATOM 128 CG LYS A 9 7.130 5.238 10.800 1.00 0.00 C ATOM 129 CD LYS A 9 7.548 4.796 12.184 1.00 0.00 C ATOM 130 CE LYS A 9 6.625 5.397 13.228 1.00 0.00 C ATOM 131 NZ LYS A 9 6.946 4.937 14.587 1.00 0.00 N ATOM 0 H LYS A 9 5.961 3.718 8.786 1.00 0.00 H new ATOM 0 HA LYS A 9 7.490 6.088 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.053 3.577 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.025 5.034 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.160 6.326 10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.097 4.939 10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.523 3.708 12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.576 5.103 12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.695 6.484 13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.594 5.135 12.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.290 5.374 15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.855 3.902 14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.921 5.209 14.824 1.00 0.00 H new ATOM 145 N VAL A 10 8.800 5.279 6.356 1.00 0.00 N ATOM 146 CA VAL A 10 9.571 4.877 5.240 1.00 0.00 C ATOM 147 C VAL A 10 10.716 5.852 5.046 1.00 0.00 C ATOM 148 O VAL A 10 10.624 7.022 5.436 1.00 0.00 O ATOM 149 CB VAL A 10 8.661 4.795 3.972 1.00 0.00 C ATOM 150 CG1 VAL A 10 8.067 6.141 3.600 1.00 0.00 C ATOM 151 CG2 VAL A 10 9.369 4.173 2.795 1.00 0.00 C ATOM 0 H VAL A 10 8.574 6.274 6.375 1.00 0.00 H new ATOM 0 HA VAL A 10 9.992 3.886 5.410 1.00 0.00 H new ATOM 0 HB VAL A 10 7.835 4.136 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.443 6.031 2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.461 6.512 4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.870 6.848 3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.693 4.140 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.246 4.769 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.680 3.160 3.051 1.00 0.00 H new ATOM 161 N LYS A 11 11.805 5.371 4.525 1.00 0.00 N ATOM 162 CA LYS A 11 12.903 6.231 4.243 1.00 0.00 C ATOM 163 C LYS A 11 12.735 6.855 2.889 1.00 0.00 C ATOM 164 O LYS A 11 12.468 6.174 1.889 1.00 0.00 O ATOM 165 CB LYS A 11 14.263 5.547 4.407 1.00 0.00 C ATOM 166 CG LYS A 11 14.560 5.144 5.850 1.00 0.00 C ATOM 167 CD LYS A 11 15.968 4.592 6.030 1.00 0.00 C ATOM 168 CE LYS A 11 16.217 3.370 5.166 1.00 0.00 C ATOM 169 NZ LYS A 11 17.537 2.768 5.425 1.00 0.00 N ATOM 0 H LYS A 11 11.952 4.390 4.289 1.00 0.00 H new ATOM 0 HA LYS A 11 12.897 7.025 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.296 4.660 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.046 6.219 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.428 6.010 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.837 4.394 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.695 5.365 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.124 4.333 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.439 2.630 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.146 3.649 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.665 1.937 4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.282 3.465 5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.596 2.477 6.422 1.00 0.00 H new ATOM 183 N THR A 12 12.852 8.134 2.891 1.00 0.00 N ATOM 184 CA THR A 12 12.678 8.979 1.740 1.00 0.00 C ATOM 185 C THR A 12 13.890 8.866 0.797 1.00 0.00 C ATOM 186 O THR A 12 14.914 8.280 1.176 1.00 0.00 O ATOM 187 CB THR A 12 12.565 10.424 2.246 1.00 0.00 C ATOM 188 OG1 THR A 12 13.703 10.694 3.101 1.00 0.00 O ATOM 189 CG2 THR A 12 11.288 10.614 3.048 1.00 0.00 C ATOM 0 H THR A 12 13.084 8.658 3.735 1.00 0.00 H new ATOM 0 HA THR A 12 11.787 8.680 1.188 1.00 0.00 H new ATOM 0 HB THR A 12 12.545 11.104 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.587 10.230 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.228 11.645 3.397 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.426 10.393 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.293 9.940 3.905 1.00 0.00 H new ATOM 197 N PRO A 13 13.820 9.442 -0.436 1.00 0.00 N ATOM 198 CA PRO A 13 14.955 9.466 -1.362 1.00 0.00 C ATOM 199 C PRO A 13 16.081 10.339 -0.816 1.00 0.00 C ATOM 200 O PRO A 13 17.227 10.255 -1.267 1.00 0.00 O ATOM 201 CB PRO A 13 14.383 10.093 -2.637 1.00 0.00 C ATOM 202 CG PRO A 13 12.911 9.992 -2.495 1.00 0.00 C ATOM 203 CD PRO A 13 12.637 10.076 -1.032 1.00 0.00 C ATOM 0 HA PRO A 13 15.377 8.474 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.698 11.131 -2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.730 9.565 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.410 10.797 -3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.542 9.054 -2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.523 11.108 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.720 9.552 -0.763 1.00 0.00 H new ATOM 211 N ALA A 14 15.740 11.171 0.160 1.00 0.00 N ATOM 212 CA ALA A 14 16.703 12.003 0.843 1.00 0.00 C ATOM 213 C ALA A 14 17.519 11.145 1.812 1.00 0.00 C ATOM 214 O ALA A 14 18.611 11.512 2.211 1.00 0.00 O ATOM 215 CB ALA A 14 15.996 13.131 1.583 1.00 0.00 C ATOM 0 H ALA A 14 14.783 11.283 0.496 1.00 0.00 H new ATOM 0 HA ALA A 14 17.378 12.450 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.734 13.750 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.440 13.741 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.307 12.710 2.315 1.00 0.00 H new ATOM 221 N GLY A 15 16.967 10.000 2.178 1.00 0.00 N ATOM 222 CA GLY A 15 17.668 9.073 3.034 1.00 0.00 C ATOM 223 C GLY A 15 17.277 9.209 4.479 1.00 0.00 C ATOM 224 O GLY A 15 17.927 8.646 5.358 1.00 0.00 O ATOM 0 H GLY A 15 16.036 9.695 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 15 17.467 8.055 2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.741 9.234 2.936 1.00 0.00 H new ATOM 228 N LYS A 16 16.210 9.927 4.733 1.00 0.00 N ATOM 229 CA LYS A 16 15.775 10.164 6.094 1.00 0.00 C ATOM 230 C LYS A 16 14.419 9.517 6.344 1.00 0.00 C ATOM 231 O LYS A 16 13.719 9.143 5.387 1.00 0.00 O ATOM 232 CB LYS A 16 15.732 11.662 6.385 1.00 0.00 C ATOM 233 CG LYS A 16 14.736 12.422 5.542 1.00 0.00 C ATOM 234 CD LYS A 16 14.779 13.891 5.839 1.00 0.00 C ATOM 235 CE LYS A 16 13.747 14.636 5.033 1.00 0.00 C ATOM 236 NZ LYS A 16 13.738 16.070 5.352 1.00 0.00 N ATOM 0 H LYS A 16 15.625 10.359 4.018 1.00 0.00 H new ATOM 0 HA LYS A 16 16.494 9.707 6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 16 15.490 11.811 7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.725 12.082 6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.949 12.256 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.732 12.040 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.604 14.056 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.772 14.282 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.949 14.501 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.761 14.214 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.773 16.443 5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.060 16.210 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.375 16.574 4.702 1.00 0.00 H new ATOM 250 N GLU A 17 14.042 9.424 7.593 1.00 0.00 N ATOM 251 CA GLU A 17 12.823 8.759 7.993 1.00 0.00 C ATOM 252 C GLU A 17 11.665 9.727 7.990 1.00 0.00 C ATOM 253 O GLU A 17 11.820 10.879 8.411 1.00 0.00 O ATOM 254 CB GLU A 17 12.948 8.164 9.397 1.00 0.00 C ATOM 255 CG GLU A 17 14.073 7.161 9.576 1.00 0.00 C ATOM 256 CD GLU A 17 15.435 7.806 9.731 1.00 0.00 C ATOM 257 OE1 GLU A 17 15.725 8.370 10.808 1.00 0.00 O ATOM 258 OE2 GLU A 17 16.245 7.761 8.789 1.00 0.00 O ATOM 0 H GLU A 17 14.576 9.811 8.371 1.00 0.00 H new ATOM 0 HA GLU A 17 12.645 7.958 7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.092 8.978 10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.006 7.679 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.867 6.548 10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.092 6.491 8.717 1.00 0.00 H new ATOM 265 N ALA A 18 10.533 9.287 7.494 1.00 0.00 N ATOM 266 CA ALA A 18 9.313 10.072 7.508 1.00 0.00 C ATOM 267 C ALA A 18 8.129 9.150 7.309 1.00 0.00 C ATOM 268 O ALA A 18 8.276 8.056 6.749 1.00 0.00 O ATOM 269 CB ALA A 18 9.329 11.130 6.404 1.00 0.00 C ATOM 0 H ALA A 18 10.428 8.368 7.065 1.00 0.00 H new ATOM 0 HA ALA A 18 9.236 10.582 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.403 11.704 6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.176 11.799 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.419 10.642 5.434 1.00 0.00 H new ATOM 275 N GLU A 19 6.981 9.548 7.784 1.00 0.00 N ATOM 276 CA GLU A 19 5.787 8.789 7.552 1.00 0.00 C ATOM 277 C GLU A 19 5.136 9.268 6.286 1.00 0.00 C ATOM 278 O GLU A 19 4.554 10.362 6.229 1.00 0.00 O ATOM 279 CB GLU A 19 4.815 8.857 8.728 1.00 0.00 C ATOM 280 CG GLU A 19 5.305 8.139 9.967 1.00 0.00 C ATOM 281 CD GLU A 19 4.300 8.163 11.081 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.319 7.395 11.034 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.460 8.954 12.028 1.00 0.00 O ATOM 0 H GLU A 19 6.849 10.396 8.335 1.00 0.00 H new ATOM 0 HA GLU A 19 6.065 7.740 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.630 9.903 8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.861 8.427 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.538 7.105 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.232 8.601 10.308 1.00 0.00 H new ATOM 290 N LEU A 20 5.261 8.486 5.263 1.00 0.00 N ATOM 291 CA LEU A 20 4.699 8.832 4.002 1.00 0.00 C ATOM 292 C LEU A 20 3.512 7.968 3.704 1.00 0.00 C ATOM 293 O LEU A 20 3.498 6.772 4.026 1.00 0.00 O ATOM 294 CB LEU A 20 5.731 8.783 2.875 1.00 0.00 C ATOM 295 CG LEU A 20 6.862 9.820 2.940 1.00 0.00 C ATOM 296 CD1 LEU A 20 7.760 9.696 1.728 1.00 0.00 C ATOM 297 CD2 LEU A 20 6.307 11.234 3.037 1.00 0.00 C ATOM 0 H LEU A 20 5.754 7.593 5.279 1.00 0.00 H new ATOM 0 HA LEU A 20 4.362 9.867 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.179 7.789 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.208 8.907 1.927 1.00 0.00 H new ATOM 0 HG LEU A 20 7.447 9.622 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.557 10.437 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.195 8.697 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.176 9.864 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.131 11.946 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.692 11.444 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.700 11.325 3.937 1.00 0.00 H new ATOM 309 N VAL A 21 2.495 8.574 3.162 1.00 0.00 N ATOM 310 CA VAL A 21 1.300 7.875 2.810 1.00 0.00 C ATOM 311 C VAL A 21 1.353 7.375 1.348 1.00 0.00 C ATOM 312 O VAL A 21 1.497 8.174 0.398 1.00 0.00 O ATOM 313 CB VAL A 21 0.031 8.727 3.122 1.00 0.00 C ATOM 314 CG1 VAL A 21 0.020 10.056 2.396 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.223 7.958 2.837 1.00 0.00 C ATOM 0 H VAL A 21 2.475 9.572 2.952 1.00 0.00 H new ATOM 0 HA VAL A 21 1.228 6.984 3.434 1.00 0.00 H new ATOM 0 HB VAL A 21 0.069 8.950 4.188 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.887 10.603 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.892 10.639 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.047 9.883 1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.090 8.578 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.245 7.675 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.248 7.060 3.455 1.00 0.00 H new ATOM 325 N PRO A 22 1.291 6.039 1.162 1.00 0.00 N ATOM 326 CA PRO A 22 1.396 5.416 -0.150 1.00 0.00 C ATOM 327 C PRO A 22 0.148 5.602 -1.012 1.00 0.00 C ATOM 328 O PRO A 22 -1.001 5.452 -0.553 1.00 0.00 O ATOM 329 CB PRO A 22 1.616 3.936 0.165 1.00 0.00 C ATOM 330 CG PRO A 22 0.967 3.731 1.488 1.00 0.00 C ATOM 331 CD PRO A 22 1.118 5.027 2.236 1.00 0.00 C ATOM 0 HA PRO A 22 2.198 5.866 -0.735 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.170 3.298 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.678 3.693 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.085 3.471 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.439 2.912 2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.242 5.240 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.977 5.004 2.906 1.00 0.00 H new ATOM 339 N GLU A 23 0.383 5.912 -2.252 1.00 0.00 N ATOM 340 CA GLU A 23 -0.658 6.117 -3.215 1.00 0.00 C ATOM 341 C GLU A 23 -1.113 4.805 -3.788 1.00 0.00 C ATOM 342 O GLU A 23 -2.305 4.567 -3.949 1.00 0.00 O ATOM 343 CB GLU A 23 -0.153 7.049 -4.299 1.00 0.00 C ATOM 344 CG GLU A 23 0.033 8.466 -3.808 1.00 0.00 C ATOM 345 CD GLU A 23 -1.279 9.122 -3.432 1.00 0.00 C ATOM 346 OE1 GLU A 23 -1.929 8.708 -2.440 1.00 0.00 O ATOM 347 OE2 GLU A 23 -1.675 10.089 -4.117 1.00 0.00 O ATOM 0 H GLU A 23 1.323 6.032 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.521 6.575 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.796 6.674 -4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.856 7.046 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.696 8.464 -2.943 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.522 9.055 -4.584 1.00 0.00 H new ATOM 354 N LYS A 24 -0.163 3.955 -4.053 1.00 0.00 N ATOM 355 CA LYS A 24 -0.420 2.646 -4.598 1.00 0.00 C ATOM 356 C LYS A 24 0.303 1.658 -3.739 1.00 0.00 C ATOM 357 O LYS A 24 1.404 1.964 -3.262 1.00 0.00 O ATOM 358 CB LYS A 24 0.171 2.520 -5.998 1.00 0.00 C ATOM 359 CG LYS A 24 -0.268 3.537 -7.004 1.00 0.00 C ATOM 360 CD LYS A 24 0.416 3.289 -8.354 1.00 0.00 C ATOM 361 CE LYS A 24 -0.122 2.042 -9.055 1.00 0.00 C ATOM 362 NZ LYS A 24 -1.552 2.173 -9.404 1.00 0.00 N ATOM 0 H LYS A 24 0.826 4.151 -3.896 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.496 2.477 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.257 2.569 -5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.075 1.531 -6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.350 3.493 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.027 4.538 -6.646 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.270 4.157 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.490 3.182 -8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.456 1.858 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.015 1.176 -8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.807 1.445 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.131 2.051 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.726 3.115 -9.808 1.00 0.00 H new ATOM 376 N VAL A 25 -0.276 0.504 -3.531 1.00 0.00 N ATOM 377 CA VAL A 25 0.386 -0.551 -2.789 1.00 0.00 C ATOM 378 C VAL A 25 0.222 -1.870 -3.530 1.00 0.00 C ATOM 379 O VAL A 25 -0.852 -2.148 -4.080 1.00 0.00 O ATOM 380 CB VAL A 25 -0.121 -0.715 -1.315 1.00 0.00 C ATOM 381 CG1 VAL A 25 0.165 0.517 -0.474 1.00 0.00 C ATOM 382 CG2 VAL A 25 -1.608 -1.066 -1.273 1.00 0.00 C ATOM 0 H VAL A 25 -1.210 0.265 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 25 1.435 -0.263 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 25 0.437 -1.545 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.203 0.359 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.240 0.697 -0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.336 1.381 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.928 -1.173 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.183 -0.272 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.776 -2.004 -1.803 1.00 0.00 H new ATOM 392 N TRP A 26 1.262 -2.646 -3.594 1.00 0.00 N ATOM 393 CA TRP A 26 1.206 -3.922 -4.256 1.00 0.00 C ATOM 394 C TRP A 26 2.191 -4.877 -3.640 1.00 0.00 C ATOM 395 O TRP A 26 3.065 -4.467 -2.882 1.00 0.00 O ATOM 396 CB TRP A 26 1.420 -3.785 -5.783 1.00 0.00 C ATOM 397 CG TRP A 26 2.732 -3.178 -6.226 1.00 0.00 C ATOM 398 CD1 TRP A 26 3.817 -3.840 -6.707 1.00 0.00 C ATOM 399 CD2 TRP A 26 3.082 -1.788 -6.239 1.00 0.00 C ATOM 400 NE1 TRP A 26 4.805 -2.946 -7.042 1.00 0.00 N ATOM 401 CE2 TRP A 26 4.376 -1.684 -6.755 1.00 0.00 C ATOM 402 CE3 TRP A 26 2.426 -0.628 -5.869 1.00 0.00 C ATOM 403 CZ2 TRP A 26 5.014 -0.455 -6.912 1.00 0.00 C ATOM 404 CZ3 TRP A 26 3.066 0.572 -6.019 1.00 0.00 C ATOM 405 CH2 TRP A 26 4.339 0.652 -6.535 1.00 0.00 C ATOM 0 H TRP A 26 2.171 -2.417 -3.192 1.00 0.00 H new ATOM 0 HA TRP A 26 0.206 -4.331 -4.116 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.333 -4.775 -6.230 1.00 0.00 H new ATOM 0 HB3 TRP A 26 0.609 -3.180 -6.189 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.892 -4.912 -6.811 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.712 -3.187 -7.441 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.424 -0.669 -5.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.012 -0.390 -7.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.559 1.479 -5.725 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.808 1.619 -6.641 1.00 0.00 H new ATOM 416 N ALA A 27 2.028 -6.136 -3.925 1.00 0.00 N ATOM 417 CA ALA A 27 2.916 -7.147 -3.412 1.00 0.00 C ATOM 418 C ALA A 27 3.273 -8.145 -4.485 1.00 0.00 C ATOM 419 O ALA A 27 2.407 -8.619 -5.232 1.00 0.00 O ATOM 420 CB ALA A 27 2.301 -7.851 -2.215 1.00 0.00 C ATOM 0 H ALA A 27 1.279 -6.494 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 27 3.831 -6.653 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.991 -8.610 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.105 -7.124 -1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.366 -8.325 -2.513 1.00 0.00 H new ATOM 426 N LEU A 28 4.536 -8.435 -4.593 1.00 0.00 N ATOM 427 CA LEU A 28 5.022 -9.418 -5.523 1.00 0.00 C ATOM 428 C LEU A 28 5.106 -10.754 -4.820 1.00 0.00 C ATOM 429 O LEU A 28 6.064 -11.026 -4.084 1.00 0.00 O ATOM 430 CB LEU A 28 6.401 -9.048 -6.128 1.00 0.00 C ATOM 431 CG LEU A 28 6.472 -7.834 -7.088 1.00 0.00 C ATOM 432 CD1 LEU A 28 6.199 -6.519 -6.376 1.00 0.00 C ATOM 433 CD2 LEU A 28 7.822 -7.787 -7.780 1.00 0.00 C ATOM 0 H LEU A 28 5.266 -7.993 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 28 4.321 -9.463 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.089 -8.862 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.775 -9.920 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 28 5.688 -7.967 -7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.260 -5.699 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.202 -6.543 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.939 -6.371 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.857 -6.929 -8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.611 -7.696 -7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.969 -8.702 -8.353 1.00 0.00 H new ATOM 445 N ALA A 29 4.079 -11.536 -4.976 1.00 0.00 N ATOM 446 CA ALA A 29 4.004 -12.842 -4.393 1.00 0.00 C ATOM 447 C ALA A 29 3.555 -13.822 -5.454 1.00 0.00 C ATOM 448 O ALA A 29 2.392 -13.818 -5.843 1.00 0.00 O ATOM 449 CB ALA A 29 3.032 -12.852 -3.215 1.00 0.00 C ATOM 0 H ALA A 29 3.256 -11.279 -5.521 1.00 0.00 H new ATOM 0 HA ALA A 29 4.986 -13.129 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.990 -13.853 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.372 -12.147 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.039 -12.563 -3.560 1.00 0.00 H new ATOM 455 N PRO A 30 4.482 -14.619 -5.998 1.00 0.00 N ATOM 456 CA PRO A 30 4.157 -15.615 -7.031 1.00 0.00 C ATOM 457 C PRO A 30 3.151 -16.644 -6.507 1.00 0.00 C ATOM 458 O PRO A 30 2.077 -16.834 -7.093 1.00 0.00 O ATOM 459 CB PRO A 30 5.496 -16.280 -7.341 1.00 0.00 C ATOM 460 CG PRO A 30 6.537 -15.343 -6.818 1.00 0.00 C ATOM 461 CD PRO A 30 5.917 -14.595 -5.681 1.00 0.00 C ATOM 0 HA PRO A 30 3.696 -15.165 -7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.570 -17.256 -6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.616 -16.441 -8.412 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.418 -15.892 -6.485 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.866 -14.657 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.125 -15.074 -4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.297 -13.575 -5.616 1.00 0.00 H new ATOM 469 N LYS A 31 3.509 -17.295 -5.413 1.00 0.00 N ATOM 470 CA LYS A 31 2.627 -18.219 -4.725 1.00 0.00 C ATOM 471 C LYS A 31 3.243 -18.592 -3.393 1.00 0.00 C ATOM 472 O LYS A 31 2.747 -18.206 -2.340 1.00 0.00 O ATOM 473 CB LYS A 31 2.373 -19.495 -5.542 1.00 0.00 C ATOM 474 CG LYS A 31 1.347 -20.435 -4.905 1.00 0.00 C ATOM 475 CD LYS A 31 1.202 -21.738 -5.675 1.00 0.00 C ATOM 476 CE LYS A 31 2.474 -22.571 -5.601 1.00 0.00 C ATOM 477 NZ LYS A 31 2.368 -23.832 -6.355 1.00 0.00 N ATOM 0 H LYS A 31 4.425 -17.196 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 31 1.668 -17.722 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.029 -19.216 -6.538 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.315 -20.030 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.645 -20.653 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.380 -19.935 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.367 -22.310 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.967 -21.522 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.309 -21.988 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.699 -22.793 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.259 -24.362 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.589 -24.403 -5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.181 -23.623 -7.356 1.00 0.00 H new ATOM 491 N GLY A 32 4.380 -19.265 -3.458 1.00 0.00 N ATOM 492 CA GLY A 32 5.032 -19.781 -2.273 1.00 0.00 C ATOM 493 C GLY A 32 6.066 -18.842 -1.715 1.00 0.00 C ATOM 494 O GLY A 32 7.196 -19.239 -1.422 1.00 0.00 O ATOM 0 H GLY A 32 4.872 -19.466 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.280 -19.980 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.505 -20.734 -2.511 1.00 0.00 H new ATOM 498 N ARG A 33 5.690 -17.604 -1.585 1.00 0.00 N ATOM 499 CA ARG A 33 6.529 -16.586 -1.010 1.00 0.00 C ATOM 500 C ARG A 33 5.667 -15.687 -0.182 1.00 0.00 C ATOM 501 O ARG A 33 4.464 -15.559 -0.457 1.00 0.00 O ATOM 502 CB ARG A 33 7.274 -15.744 -2.067 1.00 0.00 C ATOM 503 CG ARG A 33 8.325 -16.488 -2.881 1.00 0.00 C ATOM 504 CD ARG A 33 9.171 -15.517 -3.697 1.00 0.00 C ATOM 505 NE ARG A 33 9.965 -14.629 -2.833 1.00 0.00 N ATOM 506 CZ ARG A 33 10.495 -13.447 -3.187 1.00 0.00 C ATOM 507 NH1 ARG A 33 10.234 -12.916 -4.374 1.00 0.00 N ATOM 508 NH2 ARG A 33 11.280 -12.798 -2.334 1.00 0.00 N ATOM 0 H ARG A 33 4.775 -17.264 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 33 7.293 -17.082 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.539 -15.323 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.756 -14.906 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.967 -17.063 -2.214 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.838 -17.200 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.837 -16.077 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.523 -14.918 -4.337 1.00 0.00 H new ATOM 0 HE ARG A 33 10.128 -14.940 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.625 -13.406 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.642 -12.018 -4.632 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.477 -13.198 -1.417 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.686 -11.900 -2.597 1.00 0.00 H new ATOM 522 N LYS A 34 6.260 -15.080 0.813 1.00 0.00 N ATOM 523 CA LYS A 34 5.579 -14.157 1.700 1.00 0.00 C ATOM 524 C LYS A 34 5.123 -12.933 0.931 1.00 0.00 C ATOM 525 O LYS A 34 4.075 -12.353 1.226 1.00 0.00 O ATOM 526 CB LYS A 34 6.502 -13.766 2.855 1.00 0.00 C ATOM 527 CG LYS A 34 6.806 -14.921 3.804 1.00 0.00 C ATOM 528 CD LYS A 34 7.912 -14.590 4.813 1.00 0.00 C ATOM 529 CE LYS A 34 7.636 -13.313 5.595 1.00 0.00 C ATOM 530 NZ LYS A 34 6.384 -13.361 6.390 1.00 0.00 N ATOM 0 H LYS A 34 7.246 -15.212 1.038 1.00 0.00 H new ATOM 0 HA LYS A 34 4.697 -14.644 2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.438 -13.383 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.043 -12.954 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.898 -15.190 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.101 -15.794 3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.022 -15.421 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.860 -14.489 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.474 -13.119 6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.583 -12.475 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.197 -12.424 6.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.592 -13.634 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.484 -14.059 7.154 1.00 0.00 H new ATOM 544 N GLY A 35 5.899 -12.548 -0.041 1.00 0.00 N ATOM 545 CA GLY A 35 5.523 -11.466 -0.883 1.00 0.00 C ATOM 546 C GLY A 35 6.299 -10.224 -0.596 1.00 0.00 C ATOM 547 O GLY A 35 6.447 -9.820 0.566 1.00 0.00 O ATOM 0 H GLY A 35 6.798 -12.974 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.672 -11.751 -1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.459 -11.264 -0.757 1.00 0.00 H new ATOM 551 N VAL A 36 6.821 -9.635 -1.634 1.00 0.00 N ATOM 552 CA VAL A 36 7.538 -8.389 -1.520 1.00 0.00 C ATOM 553 C VAL A 36 6.544 -7.247 -1.696 1.00 0.00 C ATOM 554 O VAL A 36 6.047 -7.018 -2.795 1.00 0.00 O ATOM 555 CB VAL A 36 8.665 -8.277 -2.589 1.00 0.00 C ATOM 556 CG1 VAL A 36 9.432 -6.967 -2.446 1.00 0.00 C ATOM 557 CG2 VAL A 36 9.616 -9.463 -2.493 1.00 0.00 C ATOM 0 H VAL A 36 6.764 -10.002 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 36 8.012 -8.341 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 36 8.194 -8.287 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.212 -6.917 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.747 -6.129 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.886 -6.917 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.396 -9.366 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.071 -9.486 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 36 9.063 -10.387 -2.660 1.00 0.00 H new ATOM 567 N LYS A 37 6.213 -6.591 -0.613 1.00 0.00 N ATOM 568 CA LYS A 37 5.277 -5.483 -0.644 1.00 0.00 C ATOM 569 C LYS A 37 6.002 -4.213 -1.029 1.00 0.00 C ATOM 570 O LYS A 37 7.065 -3.926 -0.498 1.00 0.00 O ATOM 571 CB LYS A 37 4.595 -5.297 0.719 1.00 0.00 C ATOM 572 CG LYS A 37 3.694 -6.445 1.152 1.00 0.00 C ATOM 573 CD LYS A 37 3.008 -6.123 2.470 1.00 0.00 C ATOM 574 CE LYS A 37 1.981 -7.182 2.865 1.00 0.00 C ATOM 575 NZ LYS A 37 2.593 -8.492 3.132 1.00 0.00 N ATOM 0 H LYS A 37 6.580 -6.804 0.314 1.00 0.00 H new ATOM 0 HA LYS A 37 4.508 -5.706 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.365 -5.154 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.003 -4.382 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.945 -6.635 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.283 -7.356 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.758 -6.038 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.515 -5.154 2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.444 -6.848 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.245 -7.285 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.850 -9.182 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.112 -8.811 2.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.251 -8.411 3.934 1.00 0.00 H new ATOM 589 N ILE A 38 5.448 -3.477 -1.957 1.00 0.00 N ATOM 590 CA ILE A 38 6.027 -2.230 -2.426 1.00 0.00 C ATOM 591 C ILE A 38 4.913 -1.195 -2.530 1.00 0.00 C ATOM 592 O ILE A 38 3.768 -1.537 -2.848 1.00 0.00 O ATOM 593 CB ILE A 38 6.725 -2.402 -3.826 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.760 -3.539 -3.774 1.00 0.00 C ATOM 595 CG2 ILE A 38 7.403 -1.099 -4.270 1.00 0.00 C ATOM 596 CD1 ILE A 38 8.476 -3.811 -5.079 1.00 0.00 C ATOM 0 H ILE A 38 4.572 -3.723 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 38 6.791 -1.908 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 38 5.954 -2.654 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.502 -3.300 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.258 -4.453 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.877 -1.248 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.656 -0.309 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.158 -0.814 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.184 -4.628 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.748 -4.086 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.012 -2.915 -5.394 1.00 0.00 H new ATOM 608 N GLY A 39 5.227 0.028 -2.224 1.00 0.00 N ATOM 609 CA GLY A 39 4.269 1.077 -2.313 1.00 0.00 C ATOM 610 C GLY A 39 4.850 2.259 -3.024 1.00 0.00 C ATOM 611 O GLY A 39 6.065 2.467 -2.997 1.00 0.00 O ATOM 0 H GLY A 39 6.151 0.321 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.384 0.725 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.947 1.369 -1.313 1.00 0.00 H new ATOM 615 N LEU A 40 4.016 3.007 -3.678 1.00 0.00 N ATOM 616 CA LEU A 40 4.451 4.178 -4.390 1.00 0.00 C ATOM 617 C LEU A 40 4.191 5.405 -3.541 1.00 0.00 C ATOM 618 O LEU A 40 3.049 5.654 -3.115 1.00 0.00 O ATOM 619 CB LEU A 40 3.750 4.290 -5.750 1.00 0.00 C ATOM 620 CG LEU A 40 4.129 5.502 -6.611 1.00 0.00 C ATOM 621 CD1 LEU A 40 5.599 5.479 -6.951 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.316 5.532 -7.876 1.00 0.00 C ATOM 0 H LEU A 40 3.014 2.827 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 40 5.521 4.099 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.962 3.385 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.674 4.314 -5.579 1.00 0.00 H new ATOM 0 HG LEU A 40 3.915 6.401 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.845 6.348 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.185 5.504 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.830 4.569 -7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.601 6.399 -8.471 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.500 4.623 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.257 5.596 -7.626 1.00 0.00 H new ATOM 634 N PHE A 41 5.232 6.145 -3.293 1.00 0.00 N ATOM 635 CA PHE A 41 5.194 7.305 -2.434 1.00 0.00 C ATOM 636 C PHE A 41 5.605 8.532 -3.197 1.00 0.00 C ATOM 637 O PHE A 41 6.141 8.434 -4.291 1.00 0.00 O ATOM 638 CB PHE A 41 6.184 7.134 -1.288 1.00 0.00 C ATOM 639 CG PHE A 41 5.917 5.981 -0.380 1.00 0.00 C ATOM 640 CD1 PHE A 41 5.051 6.115 0.678 1.00 0.00 C ATOM 641 CD2 PHE A 41 6.541 4.762 -0.581 1.00 0.00 C ATOM 642 CE1 PHE A 41 4.805 5.061 1.520 1.00 0.00 C ATOM 643 CE2 PHE A 41 6.298 3.702 0.258 1.00 0.00 C ATOM 644 CZ PHE A 41 5.428 3.855 1.313 1.00 0.00 C ATOM 0 H PHE A 41 6.154 5.959 -3.688 1.00 0.00 H new ATOM 0 HA PHE A 41 4.176 7.411 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.184 7.021 -1.707 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.189 8.048 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.558 7.061 0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.227 4.643 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.120 5.180 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.787 2.754 0.091 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.235 3.026 1.978 1.00 0.00 H new ATOM 654 N LYS A 42 5.380 9.670 -2.604 1.00 0.00 N ATOM 655 CA LYS A 42 5.814 10.929 -3.139 1.00 0.00 C ATOM 656 C LYS A 42 6.562 11.630 -2.046 1.00 0.00 C ATOM 657 O LYS A 42 6.008 11.843 -0.962 1.00 0.00 O ATOM 658 CB LYS A 42 4.623 11.802 -3.577 1.00 0.00 C ATOM 659 CG LYS A 42 5.023 13.157 -4.184 1.00 0.00 C ATOM 660 CD LYS A 42 3.801 14.035 -4.440 1.00 0.00 C ATOM 661 CE LYS A 42 4.171 15.392 -5.049 1.00 0.00 C ATOM 662 NZ LYS A 42 4.675 15.297 -6.443 1.00 0.00 N ATOM 0 H LYS A 42 4.880 9.750 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 42 6.434 10.760 -4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.032 11.250 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.980 11.979 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.708 13.671 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.559 12.995 -5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.117 13.514 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.269 14.194 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.295 16.041 -5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.931 15.865 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.794 16.253 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.591 14.804 -6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.994 14.767 -7.023 1.00 0.00 H new ATOM 676 N ASP A 43 7.796 11.941 -2.296 1.00 0.00 N ATOM 677 CA ASP A 43 8.590 12.668 -1.337 1.00 0.00 C ATOM 678 C ASP A 43 8.152 14.118 -1.402 1.00 0.00 C ATOM 679 O ASP A 43 8.158 14.700 -2.476 1.00 0.00 O ATOM 680 CB ASP A 43 10.073 12.543 -1.658 1.00 0.00 C ATOM 681 CG ASP A 43 10.954 13.270 -0.660 1.00 0.00 C ATOM 682 OD1 ASP A 43 11.209 14.478 -0.861 1.00 0.00 O ATOM 683 OD2 ASP A 43 11.420 12.643 0.294 1.00 0.00 O ATOM 0 H ASP A 43 8.284 11.704 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 43 8.443 12.265 -0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.348 11.488 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.259 12.940 -2.656 1.00 0.00 H new ATOM 688 N PRO A 44 7.728 14.720 -0.291 1.00 0.00 N ATOM 689 CA PRO A 44 7.176 16.077 -0.297 1.00 0.00 C ATOM 690 C PRO A 44 8.218 17.159 -0.503 1.00 0.00 C ATOM 691 O PRO A 44 7.895 18.274 -0.920 1.00 0.00 O ATOM 692 CB PRO A 44 6.550 16.230 1.088 1.00 0.00 C ATOM 693 CG PRO A 44 6.598 14.876 1.703 1.00 0.00 C ATOM 694 CD PRO A 44 7.734 14.156 1.059 1.00 0.00 C ATOM 0 HA PRO A 44 6.477 16.197 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.101 16.953 1.689 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.524 16.591 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.744 14.945 2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.661 14.344 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.677 14.340 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.580 13.077 1.051 1.00 0.00 H new ATOM 702 N GLU A 45 9.451 16.842 -0.240 1.00 0.00 N ATOM 703 CA GLU A 45 10.492 17.832 -0.307 1.00 0.00 C ATOM 704 C GLU A 45 11.153 17.868 -1.670 1.00 0.00 C ATOM 705 O GLU A 45 11.339 18.945 -2.247 1.00 0.00 O ATOM 706 CB GLU A 45 11.475 17.642 0.830 1.00 0.00 C ATOM 707 CG GLU A 45 10.817 17.856 2.184 1.00 0.00 C ATOM 708 CD GLU A 45 11.740 17.637 3.337 1.00 0.00 C ATOM 709 OE1 GLU A 45 12.696 18.424 3.520 1.00 0.00 O ATOM 710 OE2 GLU A 45 11.521 16.697 4.108 1.00 0.00 O ATOM 0 H GLU A 45 9.763 15.907 0.023 1.00 0.00 H new ATOM 0 HA GLU A 45 10.042 18.816 -0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.895 16.637 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.305 18.339 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.424 18.872 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.967 17.181 2.276 1.00 0.00 H new ATOM 717 N THR A 46 11.471 16.723 -2.201 1.00 0.00 N ATOM 718 CA THR A 46 12.039 16.659 -3.525 1.00 0.00 C ATOM 719 C THR A 46 10.917 16.710 -4.566 1.00 0.00 C ATOM 720 O THR A 46 11.083 17.246 -5.666 1.00 0.00 O ATOM 721 CB THR A 46 12.925 15.405 -3.722 1.00 0.00 C ATOM 722 OG1 THR A 46 12.197 14.224 -3.371 1.00 0.00 O ATOM 723 CG2 THR A 46 14.190 15.490 -2.876 1.00 0.00 C ATOM 0 H THR A 46 11.349 15.820 -1.742 1.00 0.00 H new ATOM 0 HA THR A 46 12.692 17.522 -3.656 1.00 0.00 H new ATOM 0 HB THR A 46 13.210 15.359 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.767 13.438 -3.501 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.794 14.596 -3.034 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.763 16.371 -3.166 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.919 15.564 -1.823 1.00 0.00 H new ATOM 731 N GLY A 47 9.766 16.175 -4.196 1.00 0.00 N ATOM 732 CA GLY A 47 8.606 16.230 -5.031 1.00 0.00 C ATOM 733 C GLY A 47 8.396 14.990 -5.868 1.00 0.00 C ATOM 734 O GLY A 47 7.328 14.807 -6.454 1.00 0.00 O ATOM 0 H GLY A 47 9.622 15.694 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.727 16.388 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.686 17.093 -5.692 1.00 0.00 H new ATOM 738 N LYS A 48 9.357 14.114 -5.886 1.00 0.00 N ATOM 739 CA LYS A 48 9.287 12.983 -6.789 1.00 0.00 C ATOM 740 C LYS A 48 8.622 11.762 -6.180 1.00 0.00 C ATOM 741 O LYS A 48 8.594 11.584 -4.957 1.00 0.00 O ATOM 742 CB LYS A 48 10.660 12.622 -7.354 1.00 0.00 C ATOM 743 CG LYS A 48 11.720 12.320 -6.317 1.00 0.00 C ATOM 744 CD LYS A 48 12.996 11.854 -6.981 1.00 0.00 C ATOM 745 CE LYS A 48 14.078 11.578 -5.964 1.00 0.00 C ATOM 746 NZ LYS A 48 15.270 10.987 -6.593 1.00 0.00 N ATOM 0 H LYS A 48 10.190 14.151 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 48 8.649 13.309 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.552 11.754 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.008 13.446 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.918 13.211 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.359 11.553 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.799 10.951 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.340 12.613 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.352 12.506 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.696 10.902 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.994 10.810 -5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.012 10.090 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.648 11.643 -7.306 1.00 0.00 H new ATOM 760 N TYR A 49 8.071 10.947 -7.048 1.00 0.00 N ATOM 761 CA TYR A 49 7.447 9.706 -6.679 1.00 0.00 C ATOM 762 C TYR A 49 8.446 8.598 -6.731 1.00 0.00 C ATOM 763 O TYR A 49 9.179 8.458 -7.720 1.00 0.00 O ATOM 764 CB TYR A 49 6.273 9.365 -7.598 1.00 0.00 C ATOM 765 CG TYR A 49 5.008 10.106 -7.292 1.00 0.00 C ATOM 766 CD1 TYR A 49 4.807 11.396 -7.732 1.00 0.00 C ATOM 767 CD2 TYR A 49 4.003 9.498 -6.555 1.00 0.00 C ATOM 768 CE1 TYR A 49 3.642 12.061 -7.443 1.00 0.00 C ATOM 769 CE2 TYR A 49 2.835 10.156 -6.263 1.00 0.00 C ATOM 770 CZ TYR A 49 2.658 11.437 -6.710 1.00 0.00 C ATOM 771 OH TYR A 49 1.489 12.113 -6.418 1.00 0.00 O ATOM 0 H TYR A 49 8.045 11.135 -8.050 1.00 0.00 H new ATOM 0 HA TYR A 49 7.065 9.822 -5.665 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.562 9.575 -8.628 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.077 8.295 -7.534 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.574 11.889 -8.310 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.142 8.486 -6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.497 13.073 -7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.063 9.668 -5.686 1.00 0.00 H new ATOM 0 HH TYR A 49 0.897 11.533 -5.895 1.00 0.00 H new ATOM 781 N PHE A 50 8.479 7.815 -5.704 1.00 0.00 N ATOM 782 CA PHE A 50 9.382 6.712 -5.650 1.00 0.00 C ATOM 783 C PHE A 50 8.642 5.507 -5.126 1.00 0.00 C ATOM 784 O PHE A 50 7.786 5.633 -4.247 1.00 0.00 O ATOM 785 CB PHE A 50 10.614 7.049 -4.762 1.00 0.00 C ATOM 786 CG PHE A 50 10.334 7.259 -3.282 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.712 8.414 -2.818 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.707 6.294 -2.357 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.473 8.594 -1.467 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.473 6.472 -1.010 1.00 0.00 C ATOM 791 CZ PHE A 50 9.857 7.618 -0.562 1.00 0.00 C ATOM 0 H PHE A 50 7.884 7.920 -4.882 1.00 0.00 H new ATOM 0 HA PHE A 50 9.759 6.495 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.341 6.243 -4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.083 7.951 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.413 9.178 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.188 5.389 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.988 9.494 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.774 5.711 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.673 7.756 0.493 1.00 0.00 H new ATOM 801 N ARG A 51 8.905 4.366 -5.687 1.00 0.00 N ATOM 802 CA ARG A 51 8.320 3.174 -5.213 1.00 0.00 C ATOM 803 C ARG A 51 9.295 2.517 -4.266 1.00 0.00 C ATOM 804 O ARG A 51 10.466 2.322 -4.594 1.00 0.00 O ATOM 805 CB ARG A 51 7.885 2.268 -6.370 1.00 0.00 C ATOM 806 CG ARG A 51 8.983 1.761 -7.289 1.00 0.00 C ATOM 807 CD ARG A 51 8.378 1.032 -8.483 1.00 0.00 C ATOM 808 NE ARG A 51 9.386 0.412 -9.349 1.00 0.00 N ATOM 809 CZ ARG A 51 9.494 0.595 -10.677 1.00 0.00 C ATOM 810 NH1 ARG A 51 8.773 1.539 -11.292 1.00 0.00 N ATOM 811 NH2 ARG A 51 10.345 -0.146 -11.377 1.00 0.00 N ATOM 0 H ARG A 51 9.531 4.247 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 51 7.402 3.388 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.367 1.406 -5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.160 2.813 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.592 2.596 -7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.644 1.090 -6.741 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.694 0.263 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.787 1.735 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 51 10.062 -0.211 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.136 2.126 -10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.860 1.672 -12.300 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.914 -0.851 -10.907 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.430 -0.011 -12.384 1.00 0.00 H new ATOM 825 N HIS A 52 8.845 2.225 -3.100 1.00 0.00 N ATOM 826 CA HIS A 52 9.712 1.743 -2.064 1.00 0.00 C ATOM 827 C HIS A 52 9.096 0.515 -1.473 1.00 0.00 C ATOM 828 O HIS A 52 7.873 0.428 -1.372 1.00 0.00 O ATOM 829 CB HIS A 52 9.864 2.826 -0.982 1.00 0.00 C ATOM 830 CG HIS A 52 10.966 2.596 0.020 1.00 0.00 C ATOM 831 ND1 HIS A 52 10.890 1.688 1.056 1.00 0.00 N ATOM 832 CD2 HIS A 52 12.169 3.190 0.147 1.00 0.00 C ATOM 833 CE1 HIS A 52 11.989 1.737 1.767 1.00 0.00 C ATOM 834 NE2 HIS A 52 12.786 2.637 1.240 1.00 0.00 N ATOM 0 H HIS A 52 7.866 2.310 -2.827 1.00 0.00 H new ATOM 0 HA HIS A 52 10.697 1.508 -2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.038 3.783 -1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.920 2.911 -0.444 1.00 0.00 H new ATOM 0 HD1 HIS A 52 10.098 1.072 1.240 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.573 3.960 -0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.203 1.138 2.640 1.00 0.00 H new ATOM 843 N LYS A 53 9.921 -0.425 -1.104 1.00 0.00 N ATOM 844 CA LYS A 53 9.462 -1.639 -0.488 1.00 0.00 C ATOM 845 C LYS A 53 8.853 -1.318 0.880 1.00 0.00 C ATOM 846 O LYS A 53 9.309 -0.400 1.577 1.00 0.00 O ATOM 847 CB LYS A 53 10.619 -2.634 -0.343 1.00 0.00 C ATOM 848 CG LYS A 53 10.202 -3.954 0.266 1.00 0.00 C ATOM 849 CD LYS A 53 11.367 -4.885 0.479 1.00 0.00 C ATOM 850 CE LYS A 53 10.905 -6.139 1.197 1.00 0.00 C ATOM 851 NZ LYS A 53 10.291 -5.820 2.507 1.00 0.00 N ATOM 0 H LYS A 53 10.933 -0.371 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 53 8.699 -2.096 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.056 -2.817 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.398 -2.187 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.709 -3.770 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.471 -4.435 -0.383 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.812 -5.149 -0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.140 -4.386 1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.184 -6.670 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.753 -6.808 1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.172 -6.695 3.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.907 -5.164 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.362 -5.377 2.356 1.00 0.00 H new ATOM 865 N LEU A 54 7.830 -2.025 1.231 1.00 0.00 N ATOM 866 CA LEU A 54 7.155 -1.829 2.480 1.00 0.00 C ATOM 867 C LEU A 54 7.581 -2.944 3.438 1.00 0.00 C ATOM 868 O LEU A 54 8.218 -3.936 3.007 1.00 0.00 O ATOM 869 CB LEU A 54 5.633 -1.904 2.278 1.00 0.00 C ATOM 870 CG LEU A 54 5.041 -1.098 1.127 1.00 0.00 C ATOM 871 CD1 LEU A 54 3.560 -1.348 1.016 1.00 0.00 C ATOM 872 CD2 LEU A 54 5.294 0.366 1.330 1.00 0.00 C ATOM 0 H LEU A 54 7.431 -2.766 0.654 1.00 0.00 H new ATOM 0 HA LEU A 54 7.413 -0.850 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.363 -2.950 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.154 -1.577 3.201 1.00 0.00 H new ATOM 0 HG LEU A 54 5.523 -1.417 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.154 -0.765 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.383 -2.408 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.071 -1.052 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.865 0.928 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.833 0.689 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.368 0.547 1.374 1.00 0.00 H new ATOM 884 N PRO A 55 7.249 -2.822 4.733 1.00 0.00 N ATOM 885 CA PRO A 55 7.534 -3.855 5.715 1.00 0.00 C ATOM 886 C PRO A 55 6.689 -5.091 5.403 1.00 0.00 C ATOM 887 O PRO A 55 5.558 -4.967 4.922 1.00 0.00 O ATOM 888 CB PRO A 55 7.094 -3.210 7.051 1.00 0.00 C ATOM 889 CG PRO A 55 7.029 -1.751 6.751 1.00 0.00 C ATOM 890 CD PRO A 55 6.544 -1.693 5.345 1.00 0.00 C ATOM 0 HA PRO A 55 8.575 -4.177 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.127 -3.592 7.378 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.807 -3.421 7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.350 -1.234 7.429 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.005 -1.278 6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.462 -1.805 5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.795 -0.747 4.865 1.00 0.00 H new ATOM 898 N ASP A 56 7.231 -6.265 5.643 1.00 0.00 N ATOM 899 CA ASP A 56 6.527 -7.532 5.368 1.00 0.00 C ATOM 900 C ASP A 56 5.177 -7.624 6.048 1.00 0.00 C ATOM 901 O ASP A 56 4.185 -8.033 5.435 1.00 0.00 O ATOM 902 CB ASP A 56 7.375 -8.703 5.789 1.00 0.00 C ATOM 903 CG ASP A 56 6.651 -10.029 5.678 1.00 0.00 C ATOM 904 OD1 ASP A 56 6.455 -10.522 4.549 1.00 0.00 O ATOM 905 OD2 ASP A 56 6.308 -10.622 6.726 1.00 0.00 O ATOM 0 H ASP A 56 8.166 -6.385 6.032 1.00 0.00 H new ATOM 0 HA ASP A 56 6.352 -7.556 4.292 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.274 -8.734 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.699 -8.558 6.819 1.00 0.00 H new ATOM 910 N ASP A 57 5.142 -7.185 7.281 1.00 0.00 N ATOM 911 CA ASP A 57 3.962 -7.296 8.126 1.00 0.00 C ATOM 912 C ASP A 57 3.037 -6.076 7.968 1.00 0.00 C ATOM 913 O ASP A 57 2.019 -5.957 8.641 1.00 0.00 O ATOM 914 CB ASP A 57 4.422 -7.483 9.588 1.00 0.00 C ATOM 915 CG ASP A 57 3.298 -7.701 10.584 1.00 0.00 C ATOM 916 OD1 ASP A 57 2.643 -8.769 10.544 1.00 0.00 O ATOM 917 OD2 ASP A 57 3.087 -6.836 11.450 1.00 0.00 O ATOM 0 H ASP A 57 5.935 -6.735 7.738 1.00 0.00 H new ATOM 0 HA ASP A 57 3.374 -8.162 7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.101 -8.335 9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.992 -6.604 9.890 1.00 0.00 H new ATOM 922 N TYR A 58 3.371 -5.189 7.044 1.00 0.00 N ATOM 923 CA TYR A 58 2.565 -4.011 6.829 1.00 0.00 C ATOM 924 C TYR A 58 1.268 -4.387 6.108 1.00 0.00 C ATOM 925 O TYR A 58 1.312 -5.009 5.049 1.00 0.00 O ATOM 926 CB TYR A 58 3.336 -2.949 6.028 1.00 0.00 C ATOM 927 CG TYR A 58 2.508 -1.724 5.686 1.00 0.00 C ATOM 928 CD1 TYR A 58 2.194 -0.771 6.648 1.00 0.00 C ATOM 929 CD2 TYR A 58 2.008 -1.553 4.413 1.00 0.00 C ATOM 930 CE1 TYR A 58 1.399 0.324 6.330 1.00 0.00 C ATOM 931 CE2 TYR A 58 1.210 -0.481 4.092 1.00 0.00 C ATOM 932 CZ TYR A 58 0.907 0.454 5.044 1.00 0.00 C ATOM 933 OH TYR A 58 0.075 1.503 4.711 1.00 0.00 O ATOM 0 H TYR A 58 4.188 -5.266 6.439 1.00 0.00 H new ATOM 0 HA TYR A 58 2.320 -3.583 7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.210 -2.638 6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.703 -3.398 5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.572 -0.883 7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.249 -2.278 3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.168 1.066 7.080 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.822 -0.377 3.089 1.00 0.00 H new ATOM 0 HH TYR A 58 0.382 2.319 5.159 1.00 0.00 H new ATOM 943 N PRO A 59 0.106 -4.030 6.672 1.00 0.00 N ATOM 944 CA PRO A 59 -1.163 -4.309 6.059 1.00 0.00 C ATOM 945 C PRO A 59 -1.416 -3.354 4.916 1.00 0.00 C ATOM 946 O PRO A 59 -1.527 -2.136 5.120 1.00 0.00 O ATOM 947 CB PRO A 59 -2.190 -4.075 7.172 1.00 0.00 C ATOM 948 CG PRO A 59 -1.404 -3.759 8.398 1.00 0.00 C ATOM 949 CD PRO A 59 -0.056 -3.321 7.934 1.00 0.00 C ATOM 0 HA PRO A 59 -1.210 -5.318 5.650 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.861 -3.255 6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.810 -4.959 7.323 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.889 -2.974 8.978 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.327 -4.632 9.045 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.008 -2.241 7.798 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.723 -3.587 8.649 1.00 0.00 H new ATOM 957 N ILE A 60 -1.447 -3.879 3.731 1.00 0.00 N ATOM 958 CA ILE A 60 -1.676 -3.080 2.567 1.00 0.00 C ATOM 959 C ILE A 60 -3.154 -3.030 2.212 1.00 0.00 C ATOM 960 O ILE A 60 -3.661 -3.922 1.516 1.00 0.00 O ATOM 961 CB ILE A 60 -0.766 -3.479 1.368 1.00 0.00 C ATOM 962 CG1 ILE A 60 -0.832 -4.975 1.042 1.00 0.00 C ATOM 963 CG2 ILE A 60 0.655 -3.097 1.684 1.00 0.00 C ATOM 964 CD1 ILE A 60 0.013 -5.367 -0.154 1.00 0.00 C ATOM 965 OXT ILE A 60 -3.836 -2.106 2.700 1.00 0.00 O ATOM 0 H ILE A 60 -1.314 -4.873 3.543 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.380 -2.061 2.814 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.129 -2.945 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.504 -5.544 1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.869 -5.253 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.300 -3.373 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.715 -2.021 1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.981 -3.620 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.080 -6.439 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.330 -4.824 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.057 -5.120 0.041 1.00 0.00 H new TER 977 ILE A 60