USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 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+ -152:sc= 2.71 (180deg=1.01) USER MOD Set 1.2: A 58 TYR OH : rot 24:sc= 0.579 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= 0.133 (180deg=-0.00953) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00184 USER MOD Single : A 3 SER OG : rot -76:sc= 0.919 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0.757) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.12) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0056 USER MOD Single : A 16 LYS NZ :NH3+ -112:sc= -0.135 (180deg=-1.64!) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 1.07 (180deg=0.654) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.15) USER MOD Single : A 42 LYS NZ :NH3+ -117:sc=-0.000739 (180deg=-0.379) USER MOD Single : A 46 THR OG1 : rot -77:sc= -0.345 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.9!) USER MOD Single : A 53 LYS NZ :NH3+ -109:sc= 0.672 (180deg=-0.0754) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.254 8.833 18.687 1.00 0.00 N ATOM 2 CA MET A 1 -3.037 8.442 17.981 1.00 0.00 C ATOM 3 C MET A 1 -3.126 8.971 16.574 1.00 0.00 C ATOM 4 O MET A 1 -4.209 9.374 16.144 1.00 0.00 O ATOM 5 CB MET A 1 -2.864 6.911 17.948 1.00 0.00 C ATOM 6 CG MET A 1 -2.813 6.244 19.316 1.00 0.00 C ATOM 7 SD MET A 1 -1.496 6.883 20.371 1.00 0.00 S ATOM 8 CE MET A 1 -1.717 5.845 21.821 1.00 0.00 C ATOM 0 H1 MET A 1 -4.003 9.261 19.601 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.781 9.524 18.115 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.846 7.994 18.849 1.00 0.00 H new ATOM 0 HA MET A 1 -2.174 8.856 18.503 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.687 6.479 17.379 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.946 6.675 17.410 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.771 6.384 19.817 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.676 5.171 19.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.977 6.112 22.576 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.718 5.994 22.226 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.590 4.799 21.542 1.00 0.00 H new ATOM 20 N SER A 2 -2.010 8.985 15.867 1.00 0.00 N ATOM 21 CA SER A 2 -1.956 9.459 14.500 1.00 0.00 C ATOM 22 C SER A 2 -2.894 8.641 13.620 1.00 0.00 C ATOM 23 O SER A 2 -2.696 7.439 13.431 1.00 0.00 O ATOM 24 CB SER A 2 -0.521 9.369 14.006 1.00 0.00 C ATOM 25 OG SER A 2 0.347 10.015 14.931 1.00 0.00 O ATOM 0 H SER A 2 -1.112 8.665 16.229 1.00 0.00 H new ATOM 0 HA SER A 2 -2.284 10.498 14.453 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.231 8.325 13.889 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.434 9.835 13.025 1.00 0.00 H new ATOM 0 HG SER A 2 1.271 9.954 14.610 1.00 0.00 H new ATOM 31 N SER A 3 -3.922 9.278 13.136 1.00 0.00 N ATOM 32 CA SER A 3 -4.925 8.620 12.367 1.00 0.00 C ATOM 33 C SER A 3 -5.540 9.578 11.348 1.00 0.00 C ATOM 34 O SER A 3 -5.487 10.805 11.512 1.00 0.00 O ATOM 35 CB SER A 3 -5.972 8.043 13.321 1.00 0.00 C ATOM 36 OG SER A 3 -6.346 9.007 14.306 1.00 0.00 O ATOM 0 H SER A 3 -4.084 10.276 13.268 1.00 0.00 H new ATOM 0 HA SER A 3 -4.485 7.802 11.796 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.852 7.732 12.758 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.575 7.153 13.809 1.00 0.00 H new ATOM 0 HG SER A 3 -5.634 9.084 14.975 1.00 0.00 H new ATOM 42 N GLY A 4 -6.103 9.028 10.312 1.00 0.00 N ATOM 43 CA GLY A 4 -6.664 9.803 9.235 1.00 0.00 C ATOM 44 C GLY A 4 -6.157 9.241 7.951 1.00 0.00 C ATOM 45 O GLY A 4 -6.838 9.226 6.929 1.00 0.00 O ATOM 0 H GLY A 4 -6.188 8.019 10.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.753 9.764 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.380 10.851 9.331 1.00 0.00 H new ATOM 49 N LYS A 5 -4.946 8.763 8.028 1.00 0.00 N ATOM 50 CA LYS A 5 -4.290 8.072 6.970 1.00 0.00 C ATOM 51 C LYS A 5 -3.712 6.860 7.606 1.00 0.00 C ATOM 52 O LYS A 5 -3.726 6.732 8.836 1.00 0.00 O ATOM 53 CB LYS A 5 -3.099 8.853 6.322 1.00 0.00 C ATOM 54 CG LYS A 5 -3.377 10.234 5.744 1.00 0.00 C ATOM 55 CD LYS A 5 -3.569 11.248 6.838 1.00 0.00 C ATOM 56 CE LYS A 5 -3.771 12.644 6.286 1.00 0.00 C ATOM 57 NZ LYS A 5 -4.000 13.632 7.359 1.00 0.00 N ATOM 0 H LYS A 5 -4.372 8.852 8.867 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.014 7.895 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.319 8.958 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.689 8.234 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.549 10.537 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.268 10.197 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.431 10.969 7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.700 11.240 7.497 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.896 12.935 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.621 12.645 5.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.134 14.575 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.850 13.369 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.178 13.650 7.996 1.00 0.00 H new ATOM 71 N LYS A 6 -3.187 6.021 6.820 1.00 0.00 N ATOM 72 CA LYS A 6 -2.519 4.856 7.295 1.00 0.00 C ATOM 73 C LYS A 6 -1.181 4.789 6.556 1.00 0.00 C ATOM 74 O LYS A 6 -1.068 4.213 5.475 1.00 0.00 O ATOM 75 CB LYS A 6 -3.442 3.615 7.117 1.00 0.00 C ATOM 76 CG LYS A 6 -2.963 2.273 7.715 1.00 0.00 C ATOM 77 CD LYS A 6 -1.993 1.522 6.817 1.00 0.00 C ATOM 78 CE LYS A 6 -2.627 1.202 5.469 1.00 0.00 C ATOM 79 NZ LYS A 6 -1.723 0.435 4.601 1.00 0.00 N ATOM 0 H LYS A 6 -3.200 6.111 5.804 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.304 4.882 8.363 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.411 3.852 7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.604 3.468 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.484 2.462 8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.829 1.641 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.094 2.120 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.683 0.598 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.545 0.636 5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.906 2.130 4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.947 0.634 3.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.739 0.709 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.843 -0.581 4.787 1.00 0.00 H new ATOM 93 N PRO A 7 -0.181 5.511 7.082 1.00 0.00 N ATOM 94 CA PRO A 7 1.107 5.641 6.457 1.00 0.00 C ATOM 95 C PRO A 7 2.108 4.623 6.965 1.00 0.00 C ATOM 96 O PRO A 7 1.739 3.659 7.646 1.00 0.00 O ATOM 97 CB PRO A 7 1.524 7.059 6.868 1.00 0.00 C ATOM 98 CG PRO A 7 0.839 7.324 8.177 1.00 0.00 C ATOM 99 CD PRO A 7 -0.227 6.264 8.351 1.00 0.00 C ATOM 0 HA PRO A 7 1.069 5.473 5.381 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.607 7.134 6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.224 7.788 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.554 7.288 8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.395 8.320 8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.017 5.621 9.206 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.209 6.707 8.519 1.00 0.00 H new ATOM 107 N VAL A 8 3.340 4.788 6.576 1.00 0.00 N ATOM 108 CA VAL A 8 4.411 3.977 7.063 1.00 0.00 C ATOM 109 C VAL A 8 5.666 4.838 7.137 1.00 0.00 C ATOM 110 O VAL A 8 5.810 5.791 6.345 1.00 0.00 O ATOM 111 CB VAL A 8 4.653 2.719 6.158 1.00 0.00 C ATOM 112 CG1 VAL A 8 5.111 3.092 4.758 1.00 0.00 C ATOM 113 CG2 VAL A 8 5.619 1.737 6.810 1.00 0.00 C ATOM 0 H VAL A 8 3.629 5.499 5.904 1.00 0.00 H new ATOM 0 HA VAL A 8 4.151 3.601 8.052 1.00 0.00 H new ATOM 0 HB VAL A 8 3.689 2.221 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.264 2.186 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.351 3.710 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.046 3.648 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.763 0.878 6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.577 2.228 6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.209 1.402 7.763 1.00 0.00 H new ATOM 123 N LYS A 9 6.505 4.582 8.111 1.00 0.00 N ATOM 124 CA LYS A 9 7.784 5.230 8.204 1.00 0.00 C ATOM 125 C LYS A 9 8.667 4.672 7.113 1.00 0.00 C ATOM 126 O LYS A 9 9.018 3.488 7.135 1.00 0.00 O ATOM 127 CB LYS A 9 8.403 4.983 9.575 1.00 0.00 C ATOM 128 CG LYS A 9 7.644 5.643 10.704 1.00 0.00 C ATOM 129 CD LYS A 9 8.204 5.276 12.056 1.00 0.00 C ATOM 130 CE LYS A 9 7.460 5.986 13.181 1.00 0.00 C ATOM 131 NZ LYS A 9 6.011 5.662 13.208 1.00 0.00 N ATOM 0 H LYS A 9 6.317 3.917 8.861 1.00 0.00 H new ATOM 0 HA LYS A 9 7.674 6.307 8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.449 3.909 9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.429 5.350 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.679 6.725 10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.595 5.350 10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.137 4.197 12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.261 5.537 12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.907 5.711 14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.585 7.063 13.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.585 6.046 14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.546 6.083 12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.886 4.630 13.189 1.00 0.00 H new ATOM 145 N VAL A 10 8.964 5.476 6.145 1.00 0.00 N ATOM 146 CA VAL A 10 9.735 5.030 5.028 1.00 0.00 C ATOM 147 C VAL A 10 10.921 5.958 4.771 1.00 0.00 C ATOM 148 O VAL A 10 10.837 7.174 4.997 1.00 0.00 O ATOM 149 CB VAL A 10 8.823 4.894 3.768 1.00 0.00 C ATOM 150 CG1 VAL A 10 8.186 6.215 3.370 1.00 0.00 C ATOM 151 CG2 VAL A 10 9.548 4.269 2.599 1.00 0.00 C ATOM 0 H VAL A 10 8.682 6.455 6.104 1.00 0.00 H new ATOM 0 HA VAL A 10 10.145 4.046 5.256 1.00 0.00 H new ATOM 0 HB VAL A 10 8.018 4.217 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.562 6.067 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.572 6.585 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.966 6.942 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.871 4.196 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.405 4.887 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.892 3.272 2.875 1.00 0.00 H new ATOM 161 N LYS A 11 12.034 5.364 4.376 1.00 0.00 N ATOM 162 CA LYS A 11 13.224 6.101 4.004 1.00 0.00 C ATOM 163 C LYS A 11 13.028 6.694 2.634 1.00 0.00 C ATOM 164 O LYS A 11 12.841 5.964 1.642 1.00 0.00 O ATOM 165 CB LYS A 11 14.462 5.197 4.011 1.00 0.00 C ATOM 166 CG LYS A 11 14.893 4.742 5.390 1.00 0.00 C ATOM 167 CD LYS A 11 16.087 3.813 5.317 1.00 0.00 C ATOM 168 CE LYS A 11 16.620 3.458 6.701 1.00 0.00 C ATOM 169 NZ LYS A 11 15.609 2.804 7.553 1.00 0.00 N ATOM 0 H LYS A 11 12.136 4.352 4.305 1.00 0.00 H new ATOM 0 HA LYS A 11 13.386 6.894 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.260 4.319 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.289 5.730 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.142 5.610 6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.064 4.234 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.805 2.900 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.878 4.284 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.481 2.798 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.972 4.365 7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.040 2.540 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.820 3.460 7.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.254 1.950 7.077 1.00 0.00 H new ATOM 183 N THR A 12 13.041 7.985 2.571 1.00 0.00 N ATOM 184 CA THR A 12 12.809 8.666 1.341 1.00 0.00 C ATOM 185 C THR A 12 14.157 9.010 0.671 1.00 0.00 C ATOM 186 O THR A 12 15.216 8.919 1.323 1.00 0.00 O ATOM 187 CB THR A 12 11.989 9.954 1.592 1.00 0.00 C ATOM 188 OG1 THR A 12 12.783 10.951 2.249 1.00 0.00 O ATOM 189 CG2 THR A 12 10.768 9.665 2.443 1.00 0.00 C ATOM 0 H THR A 12 13.212 8.596 3.369 1.00 0.00 H new ATOM 0 HA THR A 12 12.240 8.017 0.676 1.00 0.00 H new ATOM 0 HB THR A 12 11.673 10.326 0.618 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.243 11.756 2.395 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.210 10.587 2.604 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.133 8.941 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.082 9.259 3.404 1.00 0.00 H new ATOM 197 N PRO A 13 14.160 9.382 -0.636 1.00 0.00 N ATOM 198 CA PRO A 13 15.379 9.791 -1.360 1.00 0.00 C ATOM 199 C PRO A 13 16.045 11.028 -0.729 1.00 0.00 C ATOM 200 O PRO A 13 17.253 11.263 -0.903 1.00 0.00 O ATOM 201 CB PRO A 13 14.874 10.119 -2.772 1.00 0.00 C ATOM 202 CG PRO A 13 13.576 9.406 -2.889 1.00 0.00 C ATOM 203 CD PRO A 13 12.988 9.397 -1.519 1.00 0.00 C ATOM 0 HA PRO A 13 16.141 9.011 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.748 11.193 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.579 9.783 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.915 9.911 -3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.720 8.391 -3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.367 10.275 -1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.356 8.523 -1.360 1.00 0.00 H new ATOM 211 N ALA A 14 15.258 11.814 0.005 1.00 0.00 N ATOM 212 CA ALA A 14 15.768 12.974 0.730 1.00 0.00 C ATOM 213 C ALA A 14 16.696 12.547 1.868 1.00 0.00 C ATOM 214 O ALA A 14 17.467 13.347 2.390 1.00 0.00 O ATOM 215 CB ALA A 14 14.624 13.794 1.285 1.00 0.00 C ATOM 0 H ALA A 14 14.255 11.665 0.113 1.00 0.00 H new ATOM 0 HA ALA A 14 16.338 13.582 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 14 15.021 14.655 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 14 13.992 14.137 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.034 13.181 1.967 1.00 0.00 H new ATOM 221 N GLY A 15 16.624 11.288 2.243 1.00 0.00 N ATOM 222 CA GLY A 15 17.470 10.779 3.286 1.00 0.00 C ATOM 223 C GLY A 15 16.903 11.066 4.645 1.00 0.00 C ATOM 224 O GLY A 15 17.578 11.624 5.508 1.00 0.00 O ATOM 0 H GLY A 15 15.986 10.603 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 15 17.594 9.703 3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 15 18.461 11.226 3.202 1.00 0.00 H new ATOM 228 N LYS A 16 15.652 10.750 4.815 1.00 0.00 N ATOM 229 CA LYS A 16 14.975 10.903 6.083 1.00 0.00 C ATOM 230 C LYS A 16 13.909 9.845 6.152 1.00 0.00 C ATOM 231 O LYS A 16 13.527 9.284 5.113 1.00 0.00 O ATOM 232 CB LYS A 16 14.348 12.316 6.214 1.00 0.00 C ATOM 233 CG LYS A 16 13.286 12.616 5.164 1.00 0.00 C ATOM 234 CD LYS A 16 12.818 14.090 5.129 1.00 0.00 C ATOM 235 CE LYS A 16 11.986 14.533 6.347 1.00 0.00 C ATOM 236 NZ LYS A 16 12.776 14.744 7.584 1.00 0.00 N ATOM 0 H LYS A 16 15.061 10.374 4.073 1.00 0.00 H new ATOM 0 HA LYS A 16 15.684 10.792 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.905 12.416 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.139 13.063 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.678 12.349 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.422 11.978 5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.695 14.733 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.227 14.248 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.467 15.459 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.221 13.781 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.527 14.015 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.790 14.680 7.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.565 15.685 7.974 1.00 0.00 H new ATOM 250 N GLU A 17 13.460 9.544 7.329 1.00 0.00 N ATOM 251 CA GLU A 17 12.391 8.601 7.490 1.00 0.00 C ATOM 252 C GLU A 17 11.155 9.359 7.848 1.00 0.00 C ATOM 253 O GLU A 17 11.076 9.975 8.916 1.00 0.00 O ATOM 254 CB GLU A 17 12.707 7.539 8.540 1.00 0.00 C ATOM 255 CG GLU A 17 13.949 6.735 8.220 1.00 0.00 C ATOM 256 CD GLU A 17 14.126 5.548 9.119 1.00 0.00 C ATOM 257 OE1 GLU A 17 14.501 5.718 10.293 1.00 0.00 O ATOM 258 OE2 GLU A 17 13.891 4.420 8.670 1.00 0.00 O ATOM 0 H GLU A 17 13.817 9.938 8.199 1.00 0.00 H new ATOM 0 HA GLU A 17 12.248 8.062 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.834 8.022 9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.857 6.862 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.899 6.396 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.824 7.380 8.302 1.00 0.00 H new ATOM 265 N ALA A 18 10.227 9.371 6.952 1.00 0.00 N ATOM 266 CA ALA A 18 9.012 10.108 7.128 1.00 0.00 C ATOM 267 C ALA A 18 7.856 9.174 7.023 1.00 0.00 C ATOM 268 O ALA A 18 7.952 8.141 6.350 1.00 0.00 O ATOM 269 CB ALA A 18 8.902 11.199 6.070 1.00 0.00 C ATOM 0 H ALA A 18 10.286 8.867 6.067 1.00 0.00 H new ATOM 0 HA ALA A 18 9.012 10.579 8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.974 11.753 6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.749 11.880 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.904 10.746 5.079 1.00 0.00 H new ATOM 275 N GLU A 19 6.785 9.487 7.698 1.00 0.00 N ATOM 276 CA GLU A 19 5.607 8.693 7.591 1.00 0.00 C ATOM 277 C GLU A 19 4.824 9.171 6.407 1.00 0.00 C ATOM 278 O GLU A 19 4.196 10.238 6.431 1.00 0.00 O ATOM 279 CB GLU A 19 4.778 8.743 8.868 1.00 0.00 C ATOM 280 CG GLU A 19 5.528 8.208 10.059 1.00 0.00 C ATOM 281 CD GLU A 19 4.732 8.200 11.325 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.606 9.255 11.969 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.252 7.124 11.730 1.00 0.00 O ATOM 0 H GLU A 19 6.710 10.287 8.326 1.00 0.00 H new ATOM 0 HA GLU A 19 5.883 7.648 7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.478 9.772 9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.864 8.166 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.857 7.192 9.842 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.425 8.808 10.210 1.00 0.00 H new ATOM 290 N LEU A 20 4.891 8.409 5.377 1.00 0.00 N ATOM 291 CA LEU A 20 4.240 8.725 4.157 1.00 0.00 C ATOM 292 C LEU A 20 3.198 7.696 3.897 1.00 0.00 C ATOM 293 O LEU A 20 3.407 6.507 4.172 1.00 0.00 O ATOM 294 CB LEU A 20 5.237 8.734 2.995 1.00 0.00 C ATOM 295 CG LEU A 20 6.373 9.756 3.039 1.00 0.00 C ATOM 296 CD1 LEU A 20 7.241 9.597 1.811 1.00 0.00 C ATOM 297 CD2 LEU A 20 5.834 11.174 3.114 1.00 0.00 C ATOM 0 H LEU A 20 5.410 7.531 5.357 1.00 0.00 H new ATOM 0 HA LEU A 20 3.793 9.716 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.682 7.741 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.677 8.895 2.074 1.00 0.00 H new ATOM 0 HG LEU A 20 6.966 9.575 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.051 10.325 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.659 8.590 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.640 9.760 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.665 11.878 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.219 11.376 2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.230 11.287 4.015 1.00 0.00 H new ATOM 309 N VAL A 21 2.066 8.126 3.452 1.00 0.00 N ATOM 310 CA VAL A 21 1.041 7.215 3.075 1.00 0.00 C ATOM 311 C VAL A 21 1.204 6.894 1.588 1.00 0.00 C ATOM 312 O VAL A 21 1.305 7.803 0.748 1.00 0.00 O ATOM 313 CB VAL A 21 -0.386 7.745 3.440 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.689 9.070 2.782 1.00 0.00 C ATOM 315 CG2 VAL A 21 -1.472 6.722 3.133 1.00 0.00 C ATOM 0 H VAL A 21 1.827 9.111 3.340 1.00 0.00 H new ATOM 0 HA VAL A 21 1.142 6.291 3.644 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.383 7.909 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.690 9.397 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.040 9.812 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.637 8.959 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.445 7.133 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.459 6.486 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.290 5.814 3.708 1.00 0.00 H new ATOM 325 N PRO A 22 1.338 5.610 1.252 1.00 0.00 N ATOM 326 CA PRO A 22 1.532 5.189 -0.124 1.00 0.00 C ATOM 327 C PRO A 22 0.319 5.495 -0.987 1.00 0.00 C ATOM 328 O PRO A 22 -0.833 5.360 -0.541 1.00 0.00 O ATOM 329 CB PRO A 22 1.768 3.679 -0.029 1.00 0.00 C ATOM 330 CG PRO A 22 1.213 3.275 1.296 1.00 0.00 C ATOM 331 CD PRO A 22 1.318 4.467 2.191 1.00 0.00 C ATOM 0 HA PRO A 22 2.361 5.717 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.269 3.151 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.830 3.442 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.176 2.955 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.769 2.433 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.474 4.528 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.222 4.433 2.799 1.00 0.00 H new ATOM 339 N GLU A 23 0.581 5.934 -2.187 1.00 0.00 N ATOM 340 CA GLU A 23 -0.438 6.256 -3.145 1.00 0.00 C ATOM 341 C GLU A 23 -1.037 4.940 -3.652 1.00 0.00 C ATOM 342 O GLU A 23 -2.251 4.734 -3.624 1.00 0.00 O ATOM 343 CB GLU A 23 0.212 7.130 -4.250 1.00 0.00 C ATOM 344 CG GLU A 23 -0.695 7.644 -5.360 1.00 0.00 C ATOM 345 CD GLU A 23 -0.952 6.632 -6.436 1.00 0.00 C ATOM 346 OE1 GLU A 23 -0.068 6.433 -7.283 1.00 0.00 O ATOM 347 OE2 GLU A 23 -2.033 6.018 -6.460 1.00 0.00 O ATOM 0 H GLU A 23 1.529 6.081 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.261 6.836 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.677 7.991 -3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.013 6.551 -4.710 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.647 7.953 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.244 8.531 -5.806 1.00 0.00 H new ATOM 354 N LYS A 24 -0.176 4.037 -4.040 1.00 0.00 N ATOM 355 CA LYS A 24 -0.592 2.722 -4.445 1.00 0.00 C ATOM 356 C LYS A 24 0.313 1.681 -3.812 1.00 0.00 C ATOM 357 O LYS A 24 1.509 1.942 -3.607 1.00 0.00 O ATOM 358 CB LYS A 24 -0.672 2.568 -5.988 1.00 0.00 C ATOM 359 CG LYS A 24 0.562 3.029 -6.762 1.00 0.00 C ATOM 360 CD LYS A 24 0.504 2.614 -8.239 1.00 0.00 C ATOM 361 CE LYS A 24 -0.677 3.228 -8.993 1.00 0.00 C ATOM 362 NZ LYS A 24 -0.564 4.696 -9.155 1.00 0.00 N ATOM 0 H LYS A 24 0.831 4.192 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.609 2.564 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.854 1.519 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.535 3.129 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.648 4.113 -6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.456 2.608 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.432 2.909 -8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.441 1.528 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.752 2.765 -9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.600 2.997 -8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.456 5.073 -9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.368 5.133 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.211 4.914 -9.813 1.00 0.00 H new ATOM 376 N VAL A 25 -0.263 0.545 -3.440 1.00 0.00 N ATOM 377 CA VAL A 25 0.477 -0.560 -2.827 1.00 0.00 C ATOM 378 C VAL A 25 0.284 -1.833 -3.632 1.00 0.00 C ATOM 379 O VAL A 25 -0.787 -2.044 -4.228 1.00 0.00 O ATOM 380 CB VAL A 25 0.053 -0.826 -1.343 1.00 0.00 C ATOM 381 CG1 VAL A 25 0.408 0.342 -0.458 1.00 0.00 C ATOM 382 CG2 VAL A 25 -1.440 -1.128 -1.227 1.00 0.00 C ATOM 0 H VAL A 25 -1.260 0.360 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 25 1.526 -0.265 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 25 0.607 -1.703 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.102 0.129 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.485 0.507 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.106 1.236 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.695 -1.307 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.013 -0.279 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.679 -2.014 -1.816 1.00 0.00 H new ATOM 392 N TRP A 26 1.307 -2.650 -3.698 1.00 0.00 N ATOM 393 CA TRP A 26 1.240 -3.913 -4.398 1.00 0.00 C ATOM 394 C TRP A 26 2.211 -4.905 -3.791 1.00 0.00 C ATOM 395 O TRP A 26 3.212 -4.510 -3.183 1.00 0.00 O ATOM 396 CB TRP A 26 1.475 -3.734 -5.926 1.00 0.00 C ATOM 397 CG TRP A 26 2.812 -3.141 -6.332 1.00 0.00 C ATOM 398 CD1 TRP A 26 3.874 -3.813 -6.848 1.00 0.00 C ATOM 399 CD2 TRP A 26 3.214 -1.762 -6.271 1.00 0.00 C ATOM 400 NE1 TRP A 26 4.908 -2.946 -7.104 1.00 0.00 N ATOM 401 CE2 TRP A 26 4.525 -1.685 -6.761 1.00 0.00 C ATOM 402 CE3 TRP A 26 2.594 -0.593 -5.850 1.00 0.00 C ATOM 403 CZ2 TRP A 26 5.218 -0.484 -6.840 1.00 0.00 C ATOM 404 CZ3 TRP A 26 3.282 0.590 -5.927 1.00 0.00 C ATOM 405 CH2 TRP A 26 4.576 0.642 -6.417 1.00 0.00 C ATOM 0 H TRP A 26 2.212 -2.459 -3.268 1.00 0.00 H new ATOM 0 HA TRP A 26 0.233 -4.314 -4.282 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.372 -4.708 -6.405 1.00 0.00 H new ATOM 0 HB3 TRP A 26 0.683 -3.098 -6.323 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.901 -4.877 -7.031 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.816 -3.205 -7.489 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.584 -0.616 -5.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.227 -0.444 -7.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.804 1.501 -5.598 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.086 1.593 -6.465 1.00 0.00 H new ATOM 416 N ALA A 27 1.893 -6.172 -3.899 1.00 0.00 N ATOM 417 CA ALA A 27 2.738 -7.213 -3.384 1.00 0.00 C ATOM 418 C ALA A 27 3.142 -8.157 -4.494 1.00 0.00 C ATOM 419 O ALA A 27 2.292 -8.708 -5.210 1.00 0.00 O ATOM 420 CB ALA A 27 2.046 -7.967 -2.257 1.00 0.00 C ATOM 0 H ALA A 27 1.040 -6.507 -4.347 1.00 0.00 H new ATOM 0 HA ALA A 27 3.638 -6.755 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.706 -8.750 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.810 -7.276 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.126 -8.416 -2.631 1.00 0.00 H new ATOM 426 N LEU A 28 4.424 -8.319 -4.651 1.00 0.00 N ATOM 427 CA LEU A 28 4.974 -9.191 -5.660 1.00 0.00 C ATOM 428 C LEU A 28 5.246 -10.534 -5.043 1.00 0.00 C ATOM 429 O LEU A 28 6.093 -10.641 -4.171 1.00 0.00 O ATOM 430 CB LEU A 28 6.292 -8.647 -6.256 1.00 0.00 C ATOM 431 CG LEU A 28 6.257 -7.287 -6.972 1.00 0.00 C ATOM 432 CD1 LEU A 28 6.159 -6.139 -5.987 1.00 0.00 C ATOM 433 CD2 LEU A 28 7.473 -7.123 -7.861 1.00 0.00 C ATOM 0 H LEU A 28 5.126 -7.848 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 28 4.246 -9.261 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.020 -8.579 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.668 -9.386 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 28 5.362 -7.265 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.137 -5.194 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.247 -6.241 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.023 -6.155 -5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.431 -6.155 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.377 -7.180 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.487 -7.916 -8.609 1.00 0.00 H new ATOM 445 N ALA A 29 4.526 -11.542 -5.452 1.00 0.00 N ATOM 446 CA ALA A 29 4.751 -12.874 -4.929 1.00 0.00 C ATOM 447 C ALA A 29 5.179 -13.828 -6.042 1.00 0.00 C ATOM 448 O ALA A 29 4.335 -14.476 -6.684 1.00 0.00 O ATOM 449 CB ALA A 29 3.522 -13.400 -4.200 1.00 0.00 C ATOM 0 H ALA A 29 3.779 -11.474 -6.143 1.00 0.00 H new ATOM 0 HA ALA A 29 5.562 -12.814 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.725 -14.401 -3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.282 -12.738 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.678 -13.437 -4.889 1.00 0.00 H new ATOM 455 N PRO A 30 6.483 -13.886 -6.335 1.00 0.00 N ATOM 456 CA PRO A 30 7.014 -14.750 -7.369 1.00 0.00 C ATOM 457 C PRO A 30 7.116 -16.185 -6.875 1.00 0.00 C ATOM 458 O PRO A 30 7.332 -16.433 -5.670 1.00 0.00 O ATOM 459 CB PRO A 30 8.423 -14.179 -7.650 1.00 0.00 C ATOM 460 CG PRO A 30 8.559 -12.971 -6.775 1.00 0.00 C ATOM 461 CD PRO A 30 7.550 -13.124 -5.681 1.00 0.00 C ATOM 0 HA PRO A 30 6.381 -14.773 -8.256 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.195 -14.914 -7.423 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.534 -13.914 -8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.567 -12.900 -6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.380 -12.058 -7.343 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.960 -13.656 -4.823 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.195 -12.159 -5.319 1.00 0.00 H new ATOM 469 N LYS A 31 6.966 -17.119 -7.782 1.00 0.00 N ATOM 470 CA LYS A 31 7.040 -18.526 -7.463 1.00 0.00 C ATOM 471 C LYS A 31 8.477 -18.892 -7.155 1.00 0.00 C ATOM 472 O LYS A 31 9.313 -19.019 -8.065 1.00 0.00 O ATOM 473 CB LYS A 31 6.503 -19.361 -8.627 1.00 0.00 C ATOM 474 CG LYS A 31 5.034 -19.098 -8.943 1.00 0.00 C ATOM 475 CD LYS A 31 4.573 -19.843 -10.191 1.00 0.00 C ATOM 476 CE LYS A 31 4.733 -21.354 -10.055 1.00 0.00 C ATOM 477 NZ LYS A 31 4.265 -22.069 -11.258 1.00 0.00 N ATOM 0 H LYS A 31 6.788 -16.925 -8.767 1.00 0.00 H new ATOM 0 HA LYS A 31 6.425 -18.736 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.099 -19.155 -9.516 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.632 -20.418 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.421 -19.401 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.880 -18.028 -9.082 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.527 -19.607 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.145 -19.495 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.781 -21.593 -9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.174 -21.701 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.391 -23.093 -11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.258 -21.862 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.816 -21.757 -12.083 1.00 0.00 H new ATOM 491 N GLY A 32 8.775 -18.988 -5.885 1.00 0.00 N ATOM 492 CA GLY A 32 10.115 -19.264 -5.461 1.00 0.00 C ATOM 493 C GLY A 32 10.568 -18.278 -4.424 1.00 0.00 C ATOM 494 O GLY A 32 11.586 -18.481 -3.753 1.00 0.00 O ATOM 0 H GLY A 32 8.102 -18.878 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.171 -20.274 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.786 -19.228 -6.319 1.00 0.00 H new ATOM 498 N ARG A 33 9.819 -17.207 -4.279 1.00 0.00 N ATOM 499 CA ARG A 33 10.129 -16.186 -3.303 1.00 0.00 C ATOM 500 C ARG A 33 8.926 -15.925 -2.435 1.00 0.00 C ATOM 501 O ARG A 33 7.905 -16.612 -2.551 1.00 0.00 O ATOM 502 CB ARG A 33 10.576 -14.877 -3.965 1.00 0.00 C ATOM 503 CG ARG A 33 11.884 -14.957 -4.726 1.00 0.00 C ATOM 504 CD ARG A 33 12.358 -13.573 -5.127 1.00 0.00 C ATOM 505 NE ARG A 33 12.650 -12.730 -3.953 1.00 0.00 N ATOM 506 CZ ARG A 33 12.833 -11.397 -3.985 1.00 0.00 C ATOM 507 NH1 ARG A 33 12.635 -10.712 -5.114 1.00 0.00 N ATOM 508 NH2 ARG A 33 13.193 -10.754 -2.880 1.00 0.00 N ATOM 0 H ARG A 33 8.982 -17.020 -4.831 1.00 0.00 H new ATOM 0 HA ARG A 33 10.956 -16.554 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.794 -14.549 -4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.668 -14.111 -3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.641 -15.441 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.756 -15.574 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.253 -13.660 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.595 -13.091 -5.739 1.00 0.00 H new ATOM 0 HE ARG A 33 12.719 -13.193 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.343 -11.199 -5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.776 -9.702 -5.129 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.330 -11.270 -2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.333 -9.744 -2.900 1.00 0.00 H new ATOM 522 N LYS A 34 9.052 -14.965 -1.561 1.00 0.00 N ATOM 523 CA LYS A 34 7.972 -14.566 -0.696 1.00 0.00 C ATOM 524 C LYS A 34 7.276 -13.364 -1.311 1.00 0.00 C ATOM 525 O LYS A 34 7.663 -12.913 -2.395 1.00 0.00 O ATOM 526 CB LYS A 34 8.508 -14.200 0.694 1.00 0.00 C ATOM 527 CG LYS A 34 9.277 -15.314 1.386 1.00 0.00 C ATOM 528 CD LYS A 34 9.774 -14.866 2.749 1.00 0.00 C ATOM 529 CE LYS A 34 10.561 -15.962 3.452 1.00 0.00 C ATOM 530 NZ LYS A 34 10.969 -15.559 4.814 1.00 0.00 N ATOM 0 H LYS A 34 9.912 -14.433 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 34 7.269 -15.392 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.158 -13.330 0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.671 -13.906 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.636 -16.188 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.122 -15.616 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.403 -13.983 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.925 -14.574 3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.955 -16.866 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.446 -16.207 2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.503 -16.332 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.568 -14.711 4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.123 -15.350 5.382 1.00 0.00 H new ATOM 544 N GLY A 35 6.266 -12.859 -0.643 1.00 0.00 N ATOM 545 CA GLY A 35 5.580 -11.692 -1.121 1.00 0.00 C ATOM 546 C GLY A 35 6.325 -10.434 -0.743 1.00 0.00 C ATOM 547 O GLY A 35 6.635 -10.219 0.430 1.00 0.00 O ATOM 0 H GLY A 35 5.905 -13.240 0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.476 -11.745 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.573 -11.662 -0.705 1.00 0.00 H new ATOM 551 N VAL A 36 6.657 -9.640 -1.716 1.00 0.00 N ATOM 552 CA VAL A 36 7.351 -8.388 -1.496 1.00 0.00 C ATOM 553 C VAL A 36 6.358 -7.235 -1.610 1.00 0.00 C ATOM 554 O VAL A 36 5.806 -6.997 -2.679 1.00 0.00 O ATOM 555 CB VAL A 36 8.507 -8.182 -2.524 1.00 0.00 C ATOM 556 CG1 VAL A 36 9.291 -6.909 -2.225 1.00 0.00 C ATOM 557 CG2 VAL A 36 9.440 -9.391 -2.549 1.00 0.00 C ATOM 0 H VAL A 36 6.456 -9.836 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 36 7.790 -8.414 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 36 8.055 -8.078 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.089 -6.793 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.623 -6.049 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.722 -6.973 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.236 -9.221 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.874 -9.536 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.876 -10.280 -2.831 1.00 0.00 H new ATOM 567 N LYS A 37 6.103 -6.568 -0.509 1.00 0.00 N ATOM 568 CA LYS A 37 5.190 -5.430 -0.487 1.00 0.00 C ATOM 569 C LYS A 37 5.926 -4.168 -0.889 1.00 0.00 C ATOM 570 O LYS A 37 6.952 -3.847 -0.302 1.00 0.00 O ATOM 571 CB LYS A 37 4.609 -5.235 0.913 1.00 0.00 C ATOM 572 CG LYS A 37 3.725 -6.363 1.408 1.00 0.00 C ATOM 573 CD LYS A 37 3.236 -6.071 2.817 1.00 0.00 C ATOM 574 CE LYS A 37 2.260 -7.125 3.326 1.00 0.00 C ATOM 575 NZ LYS A 37 2.878 -8.449 3.493 1.00 0.00 N ATOM 0 H LYS A 37 6.516 -6.791 0.397 1.00 0.00 H new ATOM 0 HA LYS A 37 4.381 -5.630 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.432 -5.105 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.031 -4.311 0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.874 -6.487 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.280 -7.301 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.091 -6.017 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.753 -5.094 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.848 -6.799 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.425 -7.205 2.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.196 -9.097 3.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.157 -8.822 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.719 -8.365 4.099 1.00 0.00 H new ATOM 589 N ILE A 38 5.427 -3.475 -1.877 1.00 0.00 N ATOM 590 CA ILE A 38 6.032 -2.239 -2.328 1.00 0.00 C ATOM 591 C ILE A 38 4.952 -1.170 -2.442 1.00 0.00 C ATOM 592 O ILE A 38 3.804 -1.469 -2.802 1.00 0.00 O ATOM 593 CB ILE A 38 6.781 -2.418 -3.700 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.849 -3.524 -3.579 1.00 0.00 C ATOM 595 CG2 ILE A 38 7.430 -1.106 -4.156 1.00 0.00 C ATOM 596 CD1 ILE A 38 8.667 -3.757 -4.830 1.00 0.00 C ATOM 0 H ILE A 38 4.591 -3.746 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 38 6.780 -1.933 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 38 6.046 -2.708 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.525 -3.269 -2.763 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.356 -4.457 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.939 -1.263 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.661 -0.343 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 38 8.151 -0.778 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.391 -4.552 -4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.007 -4.047 -5.648 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.194 -2.841 -5.096 1.00 0.00 H new ATOM 608 N GLY A 39 5.294 0.040 -2.083 1.00 0.00 N ATOM 609 CA GLY A 39 4.374 1.129 -2.171 1.00 0.00 C ATOM 610 C GLY A 39 4.992 2.297 -2.880 1.00 0.00 C ATOM 611 O GLY A 39 6.211 2.495 -2.821 1.00 0.00 O ATOM 0 H GLY A 39 6.215 0.291 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.477 0.810 -2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.063 1.429 -1.170 1.00 0.00 H new ATOM 615 N LEU A 40 4.180 3.037 -3.570 1.00 0.00 N ATOM 616 CA LEU A 40 4.620 4.213 -4.280 1.00 0.00 C ATOM 617 C LEU A 40 4.325 5.440 -3.435 1.00 0.00 C ATOM 618 O LEU A 40 3.189 5.637 -2.979 1.00 0.00 O ATOM 619 CB LEU A 40 3.932 4.288 -5.645 1.00 0.00 C ATOM 620 CG LEU A 40 4.270 5.483 -6.531 1.00 0.00 C ATOM 621 CD1 LEU A 40 5.738 5.492 -6.884 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.446 5.441 -7.788 1.00 0.00 C ATOM 0 H LEU A 40 3.182 2.845 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 40 5.694 4.166 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.175 3.379 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.854 4.283 -5.481 1.00 0.00 H new ATOM 0 HG LEU A 40 4.041 6.394 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.955 6.353 -7.516 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.331 5.553 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.989 4.576 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.694 6.298 -8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.658 4.520 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.387 5.474 -7.530 1.00 0.00 H new ATOM 634 N PHE A 41 5.334 6.230 -3.209 1.00 0.00 N ATOM 635 CA PHE A 41 5.261 7.382 -2.336 1.00 0.00 C ATOM 636 C PHE A 41 5.711 8.624 -3.060 1.00 0.00 C ATOM 637 O PHE A 41 6.303 8.540 -4.123 1.00 0.00 O ATOM 638 CB PHE A 41 6.224 7.201 -1.177 1.00 0.00 C ATOM 639 CG PHE A 41 6.004 6.010 -0.309 1.00 0.00 C ATOM 640 CD1 PHE A 41 5.124 6.068 0.746 1.00 0.00 C ATOM 641 CD2 PHE A 41 6.704 4.837 -0.535 1.00 0.00 C ATOM 642 CE1 PHE A 41 4.939 4.980 1.560 1.00 0.00 C ATOM 643 CE2 PHE A 41 6.525 3.750 0.279 1.00 0.00 C ATOM 644 CZ PHE A 41 5.640 3.822 1.326 1.00 0.00 C ATOM 0 H PHE A 41 6.253 6.095 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 41 4.228 7.477 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.236 7.148 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.176 8.092 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.574 6.978 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.398 4.779 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.243 5.033 2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.078 2.840 0.098 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.494 2.966 1.968 1.00 0.00 H new ATOM 654 N LYS A 42 5.464 9.759 -2.456 1.00 0.00 N ATOM 655 CA LYS A 42 5.960 11.027 -2.943 1.00 0.00 C ATOM 656 C LYS A 42 6.837 11.642 -1.857 1.00 0.00 C ATOM 657 O LYS A 42 6.348 11.954 -0.761 1.00 0.00 O ATOM 658 CB LYS A 42 4.799 11.962 -3.315 1.00 0.00 C ATOM 659 CG LYS A 42 5.223 13.325 -3.875 1.00 0.00 C ATOM 660 CD LYS A 42 4.006 14.142 -4.291 1.00 0.00 C ATOM 661 CE LYS A 42 4.380 15.501 -4.890 1.00 0.00 C ATOM 662 NZ LYS A 42 5.007 16.419 -3.917 1.00 0.00 N ATOM 0 H LYS A 42 4.908 9.832 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 42 6.548 10.876 -3.848 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.171 11.462 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.184 12.124 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.793 13.871 -3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.881 13.182 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.426 13.576 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.364 14.297 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.064 15.346 -5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.483 15.970 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.403 17.256 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.120 15.933 -3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.940 16.715 -4.270 1.00 0.00 H new ATOM 676 N ASP A 43 8.126 11.771 -2.161 1.00 0.00 N ATOM 677 CA ASP A 43 9.147 12.291 -1.224 1.00 0.00 C ATOM 678 C ASP A 43 8.790 13.694 -0.750 1.00 0.00 C ATOM 679 O ASP A 43 8.447 14.554 -1.560 1.00 0.00 O ATOM 680 CB ASP A 43 10.535 12.296 -1.895 1.00 0.00 C ATOM 681 CG ASP A 43 11.638 12.890 -1.022 1.00 0.00 C ATOM 682 OD1 ASP A 43 12.268 12.163 -0.245 1.00 0.00 O ATOM 683 OD2 ASP A 43 11.889 14.095 -1.132 1.00 0.00 O ATOM 0 H ASP A 43 8.506 11.517 -3.073 1.00 0.00 H new ATOM 0 HA ASP A 43 9.174 11.633 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.804 11.273 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.477 12.861 -2.825 1.00 0.00 H new ATOM 688 N PRO A 44 8.861 13.946 0.560 1.00 0.00 N ATOM 689 CA PRO A 44 8.460 15.225 1.147 1.00 0.00 C ATOM 690 C PRO A 44 9.401 16.401 0.832 1.00 0.00 C ATOM 691 O PRO A 44 9.000 17.565 0.954 1.00 0.00 O ATOM 692 CB PRO A 44 8.458 14.938 2.648 1.00 0.00 C ATOM 693 CG PRO A 44 9.446 13.844 2.819 1.00 0.00 C ATOM 694 CD PRO A 44 9.316 12.993 1.596 1.00 0.00 C ATOM 0 HA PRO A 44 7.502 15.547 0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.741 15.821 3.221 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.469 14.637 2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.457 14.240 2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.241 13.268 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.265 12.530 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.598 12.186 1.743 1.00 0.00 H new ATOM 702 N GLU A 45 10.629 16.127 0.442 1.00 0.00 N ATOM 703 CA GLU A 45 11.567 17.198 0.199 1.00 0.00 C ATOM 704 C GLU A 45 11.661 17.538 -1.283 1.00 0.00 C ATOM 705 O GLU A 45 11.471 18.697 -1.685 1.00 0.00 O ATOM 706 CB GLU A 45 12.940 16.861 0.761 1.00 0.00 C ATOM 707 CG GLU A 45 13.928 17.993 0.625 1.00 0.00 C ATOM 708 CD GLU A 45 15.273 17.677 1.194 1.00 0.00 C ATOM 709 OE1 GLU A 45 15.413 17.661 2.428 1.00 0.00 O ATOM 710 OE2 GLU A 45 16.234 17.526 0.433 1.00 0.00 O ATOM 0 H GLU A 45 10.995 15.187 0.289 1.00 0.00 H new ATOM 0 HA GLU A 45 11.192 18.080 0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.841 16.598 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.330 15.982 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.038 18.245 -0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.529 18.876 1.124 1.00 0.00 H new ATOM 717 N THR A 46 11.932 16.536 -2.078 1.00 0.00 N ATOM 718 CA THR A 46 12.145 16.705 -3.493 1.00 0.00 C ATOM 719 C THR A 46 10.817 16.755 -4.230 1.00 0.00 C ATOM 720 O THR A 46 10.668 17.468 -5.234 1.00 0.00 O ATOM 721 CB THR A 46 13.020 15.558 -4.049 1.00 0.00 C ATOM 722 OG1 THR A 46 12.418 14.292 -3.731 1.00 0.00 O ATOM 723 CG2 THR A 46 14.420 15.606 -3.453 1.00 0.00 C ATOM 0 H THR A 46 12.012 15.570 -1.759 1.00 0.00 H new ATOM 0 HA THR A 46 12.666 17.649 -3.650 1.00 0.00 H new ATOM 0 HB THR A 46 13.092 15.677 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.581 14.080 -2.788 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.017 14.789 -3.859 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.889 16.558 -3.703 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.358 15.506 -2.369 1.00 0.00 H new ATOM 731 N GLY A 47 9.851 16.018 -3.720 1.00 0.00 N ATOM 732 CA GLY A 47 8.544 16.013 -4.291 1.00 0.00 C ATOM 733 C GLY A 47 8.376 15.027 -5.422 1.00 0.00 C ATOM 734 O GLY A 47 7.433 15.137 -6.199 1.00 0.00 O ATOM 0 H GLY A 47 9.961 15.415 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.818 15.784 -3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.314 17.014 -4.657 1.00 0.00 H new ATOM 738 N LYS A 48 9.258 14.065 -5.518 1.00 0.00 N ATOM 739 CA LYS A 48 9.168 13.082 -6.585 1.00 0.00 C ATOM 740 C LYS A 48 8.536 11.793 -6.079 1.00 0.00 C ATOM 741 O LYS A 48 8.484 11.550 -4.868 1.00 0.00 O ATOM 742 CB LYS A 48 10.545 12.802 -7.193 1.00 0.00 C ATOM 743 CG LYS A 48 11.569 12.208 -6.224 1.00 0.00 C ATOM 744 CD LYS A 48 12.896 11.948 -6.920 1.00 0.00 C ATOM 745 CE LYS A 48 13.552 13.242 -7.372 1.00 0.00 C ATOM 746 NZ LYS A 48 14.741 13.000 -8.205 1.00 0.00 N ATOM 0 H LYS A 48 10.043 13.935 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 48 8.530 13.495 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.423 12.119 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.945 13.733 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.721 12.890 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.184 11.276 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.565 11.417 -6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.735 11.300 -7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.831 13.836 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.836 13.828 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.156 13.910 -8.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.441 12.456 -7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.468 12.463 -9.053 1.00 0.00 H new ATOM 760 N TYR A 49 8.058 10.984 -6.989 1.00 0.00 N ATOM 761 CA TYR A 49 7.463 9.716 -6.645 1.00 0.00 C ATOM 762 C TYR A 49 8.505 8.632 -6.615 1.00 0.00 C ATOM 763 O TYR A 49 9.337 8.529 -7.530 1.00 0.00 O ATOM 764 CB TYR A 49 6.346 9.323 -7.618 1.00 0.00 C ATOM 765 CG TYR A 49 5.060 10.087 -7.451 1.00 0.00 C ATOM 766 CD1 TYR A 49 4.176 9.753 -6.434 1.00 0.00 C ATOM 767 CD2 TYR A 49 4.711 11.117 -8.311 1.00 0.00 C ATOM 768 CE1 TYR A 49 2.988 10.424 -6.272 1.00 0.00 C ATOM 769 CE2 TYR A 49 3.520 11.795 -8.153 1.00 0.00 C ATOM 770 CZ TYR A 49 2.662 11.442 -7.133 1.00 0.00 C ATOM 771 OH TYR A 49 1.474 12.112 -6.975 1.00 0.00 O ATOM 0 H TYR A 49 8.070 11.184 -7.989 1.00 0.00 H new ATOM 0 HA TYR A 49 7.025 9.830 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.706 9.465 -8.637 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.138 8.260 -7.498 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.427 8.950 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.379 11.392 -9.114 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.315 10.152 -5.472 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.261 12.599 -8.826 1.00 0.00 H new ATOM 0 HH TYR A 49 1.395 12.804 -7.664 1.00 0.00 H new ATOM 781 N PHE A 50 8.493 7.835 -5.583 1.00 0.00 N ATOM 782 CA PHE A 50 9.407 6.732 -5.499 1.00 0.00 C ATOM 783 C PHE A 50 8.671 5.503 -4.998 1.00 0.00 C ATOM 784 O PHE A 50 7.805 5.607 -4.131 1.00 0.00 O ATOM 785 CB PHE A 50 10.611 7.069 -4.581 1.00 0.00 C ATOM 786 CG PHE A 50 10.284 7.232 -3.109 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.724 8.404 -2.620 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.551 6.205 -2.221 1.00 0.00 C ATOM 789 CE1 PHE A 50 9.435 8.536 -1.274 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.265 6.334 -0.881 1.00 0.00 C ATOM 791 CZ PHE A 50 9.707 7.496 -0.408 1.00 0.00 C ATOM 0 H PHE A 50 7.860 7.929 -4.789 1.00 0.00 H new ATOM 0 HA PHE A 50 9.805 6.529 -6.493 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.356 6.280 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.071 7.991 -4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.512 9.219 -3.296 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.991 5.288 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.998 9.450 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.479 5.522 -0.202 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.481 7.596 0.643 1.00 0.00 H new ATOM 801 N ARG A 51 8.969 4.364 -5.557 1.00 0.00 N ATOM 802 CA ARG A 51 8.396 3.144 -5.112 1.00 0.00 C ATOM 803 C ARG A 51 9.394 2.434 -4.237 1.00 0.00 C ATOM 804 O ARG A 51 10.536 2.234 -4.625 1.00 0.00 O ATOM 805 CB ARG A 51 7.908 2.290 -6.293 1.00 0.00 C ATOM 806 CG ARG A 51 8.937 1.932 -7.362 1.00 0.00 C ATOM 807 CD ARG A 51 8.256 1.225 -8.525 1.00 0.00 C ATOM 808 NE ARG A 51 9.178 0.803 -9.593 1.00 0.00 N ATOM 809 CZ ARG A 51 9.119 1.233 -10.864 1.00 0.00 C ATOM 810 NH1 ARG A 51 8.437 2.332 -11.169 1.00 0.00 N ATOM 811 NH2 ARG A 51 9.795 0.595 -11.812 1.00 0.00 N ATOM 0 H ARG A 51 9.620 4.265 -6.336 1.00 0.00 H new ATOM 0 HA ARG A 51 7.505 3.344 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.498 1.362 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.087 2.819 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.435 2.835 -7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.707 1.289 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.730 0.349 -8.146 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.504 1.889 -8.950 1.00 0.00 H new ATOM 0 HE ARG A 51 9.912 0.138 -9.351 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.955 2.853 -10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.395 2.654 -12.136 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.359 -0.221 -11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.751 0.921 -12.777 1.00 0.00 H new ATOM 825 N HIS A 52 8.986 2.095 -3.056 1.00 0.00 N ATOM 826 CA HIS A 52 9.887 1.543 -2.072 1.00 0.00 C ATOM 827 C HIS A 52 9.215 0.381 -1.387 1.00 0.00 C ATOM 828 O HIS A 52 7.995 0.399 -1.205 1.00 0.00 O ATOM 829 CB HIS A 52 10.205 2.638 -1.042 1.00 0.00 C ATOM 830 CG HIS A 52 11.309 2.326 -0.071 1.00 0.00 C ATOM 831 ND1 HIS A 52 11.123 1.608 1.088 1.00 0.00 N ATOM 832 CD2 HIS A 52 12.608 2.689 -0.073 1.00 0.00 C ATOM 833 CE1 HIS A 52 12.244 1.551 1.757 1.00 0.00 C ATOM 834 NE2 HIS A 52 13.161 2.195 1.074 1.00 0.00 N ATOM 0 H HIS A 52 8.021 2.189 -2.738 1.00 0.00 H new ATOM 0 HA HIS A 52 10.807 1.198 -2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.467 3.550 -1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 52 9.299 2.851 -0.475 1.00 0.00 H new ATOM 0 HD1 HIS A 52 10.243 1.184 1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 52 13.114 3.261 -0.836 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.390 1.059 2.707 1.00 0.00 H new ATOM 843 N LYS A 53 9.994 -0.633 -1.034 1.00 0.00 N ATOM 844 CA LYS A 53 9.479 -1.780 -0.308 1.00 0.00 C ATOM 845 C LYS A 53 8.909 -1.331 1.045 1.00 0.00 C ATOM 846 O LYS A 53 9.423 -0.390 1.674 1.00 0.00 O ATOM 847 CB LYS A 53 10.572 -2.857 -0.077 1.00 0.00 C ATOM 848 CG LYS A 53 10.023 -4.093 0.628 1.00 0.00 C ATOM 849 CD LYS A 53 11.075 -5.073 1.103 1.00 0.00 C ATOM 850 CE LYS A 53 10.398 -6.178 1.919 1.00 0.00 C ATOM 851 NZ LYS A 53 11.346 -7.147 2.497 1.00 0.00 N ATOM 0 H LYS A 53 10.991 -0.681 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 53 8.691 -2.225 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.001 -3.148 -1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.380 -2.431 0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.432 -3.772 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.345 -4.610 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.600 -5.503 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.820 -4.560 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.821 -5.723 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.692 -6.709 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.258 -8.057 2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.316 -6.788 2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.133 -7.281 3.506 1.00 0.00 H new ATOM 865 N LEU A 54 7.860 -1.967 1.448 1.00 0.00 N ATOM 866 CA LEU A 54 7.231 -1.714 2.709 1.00 0.00 C ATOM 867 C LEU A 54 7.680 -2.832 3.654 1.00 0.00 C ATOM 868 O LEU A 54 8.296 -3.801 3.201 1.00 0.00 O ATOM 869 CB LEU A 54 5.708 -1.779 2.540 1.00 0.00 C ATOM 870 CG LEU A 54 5.122 -1.014 1.356 1.00 0.00 C ATOM 871 CD1 LEU A 54 3.638 -1.268 1.233 1.00 0.00 C ATOM 872 CD2 LEU A 54 5.375 0.456 1.516 1.00 0.00 C ATOM 0 H LEU A 54 7.403 -2.695 0.899 1.00 0.00 H new ATOM 0 HA LEU A 54 7.501 -0.731 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.419 -2.826 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.247 -1.401 3.453 1.00 0.00 H new ATOM 0 HG LEU A 54 5.610 -1.367 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.243 -0.712 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.462 -2.333 1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.136 -0.942 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.953 0.992 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.907 0.808 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.449 0.637 1.563 1.00 0.00 H new ATOM 884 N PRO A 55 7.395 -2.742 4.951 1.00 0.00 N ATOM 885 CA PRO A 55 7.744 -3.797 5.883 1.00 0.00 C ATOM 886 C PRO A 55 6.958 -5.062 5.533 1.00 0.00 C ATOM 887 O PRO A 55 5.782 -4.990 5.144 1.00 0.00 O ATOM 888 CB PRO A 55 7.326 -3.224 7.255 1.00 0.00 C ATOM 889 CG PRO A 55 7.208 -1.754 7.014 1.00 0.00 C ATOM 890 CD PRO A 55 6.707 -1.645 5.611 1.00 0.00 C ATOM 0 HA PRO A 55 8.798 -4.076 5.866 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.382 -3.650 7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.068 -3.444 8.022 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.518 -1.290 7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.169 -1.254 7.132 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.624 -1.753 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.955 -0.682 5.164 1.00 0.00 H new ATOM 898 N ASP A 56 7.606 -6.194 5.651 1.00 0.00 N ATOM 899 CA ASP A 56 7.044 -7.497 5.262 1.00 0.00 C ATOM 900 C ASP A 56 5.723 -7.797 5.973 1.00 0.00 C ATOM 901 O ASP A 56 4.841 -8.446 5.415 1.00 0.00 O ATOM 902 CB ASP A 56 8.061 -8.630 5.510 1.00 0.00 C ATOM 903 CG ASP A 56 9.340 -8.473 4.709 1.00 0.00 C ATOM 904 OD1 ASP A 56 10.223 -7.694 5.115 1.00 0.00 O ATOM 905 OD2 ASP A 56 9.497 -9.112 3.655 1.00 0.00 O ATOM 0 H ASP A 56 8.554 -6.255 6.024 1.00 0.00 H new ATOM 0 HA ASP A 56 6.831 -7.443 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.307 -8.663 6.571 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.599 -9.585 5.260 1.00 0.00 H new ATOM 910 N ASP A 57 5.569 -7.289 7.176 1.00 0.00 N ATOM 911 CA ASP A 57 4.350 -7.515 7.953 1.00 0.00 C ATOM 912 C ASP A 57 3.467 -6.277 8.028 1.00 0.00 C ATOM 913 O ASP A 57 2.577 -6.189 8.881 1.00 0.00 O ATOM 914 CB ASP A 57 4.668 -8.036 9.360 1.00 0.00 C ATOM 915 CG ASP A 57 4.963 -9.519 9.392 1.00 0.00 C ATOM 916 OD1 ASP A 57 6.134 -9.925 9.182 1.00 0.00 O ATOM 917 OD2 ASP A 57 4.026 -10.318 9.634 1.00 0.00 O ATOM 0 H ASP A 57 6.269 -6.714 7.646 1.00 0.00 H new ATOM 0 HA ASP A 57 3.787 -8.282 7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.526 -7.493 9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.825 -7.825 10.018 1.00 0.00 H new ATOM 922 N TYR A 58 3.678 -5.340 7.128 1.00 0.00 N ATOM 923 CA TYR A 58 2.868 -4.129 7.080 1.00 0.00 C ATOM 924 C TYR A 58 1.517 -4.404 6.405 1.00 0.00 C ATOM 925 O TYR A 58 1.471 -4.952 5.312 1.00 0.00 O ATOM 926 CB TYR A 58 3.634 -3.027 6.341 1.00 0.00 C ATOM 927 CG TYR A 58 2.859 -1.763 6.045 1.00 0.00 C ATOM 928 CD1 TYR A 58 2.578 -0.836 7.037 1.00 0.00 C ATOM 929 CD2 TYR A 58 2.424 -1.492 4.760 1.00 0.00 C ATOM 930 CE1 TYR A 58 1.877 0.318 6.748 1.00 0.00 C ATOM 931 CE2 TYR A 58 1.729 -0.345 4.469 1.00 0.00 C ATOM 932 CZ TYR A 58 1.459 0.554 5.461 1.00 0.00 C ATOM 933 OH TYR A 58 0.752 1.696 5.161 1.00 0.00 O ATOM 0 H TYR A 58 4.405 -5.389 6.415 1.00 0.00 H new ATOM 0 HA TYR A 58 2.667 -3.796 8.098 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.510 -2.762 6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.998 -3.435 5.398 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.911 -1.019 8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.636 -2.197 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.659 1.031 7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.397 -0.154 3.459 1.00 0.00 H new ATOM 0 HH TYR A 58 0.947 2.386 5.829 1.00 0.00 H new ATOM 943 N PRO A 59 0.407 -4.029 7.050 1.00 0.00 N ATOM 944 CA PRO A 59 -0.919 -4.236 6.497 1.00 0.00 C ATOM 945 C PRO A 59 -1.178 -3.314 5.308 1.00 0.00 C ATOM 946 O PRO A 59 -1.096 -2.074 5.418 1.00 0.00 O ATOM 947 CB PRO A 59 -1.863 -3.915 7.663 1.00 0.00 C ATOM 948 CG PRO A 59 -1.081 -3.022 8.562 1.00 0.00 C ATOM 949 CD PRO A 59 0.366 -3.378 8.367 1.00 0.00 C ATOM 0 HA PRO A 59 -1.055 -5.247 6.114 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.770 -3.424 7.312 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.172 -4.823 8.181 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -1.259 -1.975 8.318 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.378 -3.162 9.601 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.000 -2.492 8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.720 -4.046 9.152 1.00 0.00 H new ATOM 957 N ILE A 60 -1.438 -3.903 4.176 1.00 0.00 N ATOM 958 CA ILE A 60 -1.707 -3.156 2.984 1.00 0.00 C ATOM 959 C ILE A 60 -3.158 -3.306 2.573 1.00 0.00 C ATOM 960 O ILE A 60 -3.937 -2.365 2.807 1.00 0.00 O ATOM 961 CB ILE A 60 -0.713 -3.471 1.821 1.00 0.00 C ATOM 962 CG1 ILE A 60 -0.638 -4.972 1.510 1.00 0.00 C ATOM 963 CG2 ILE A 60 0.658 -2.961 2.199 1.00 0.00 C ATOM 964 CD1 ILE A 60 0.183 -5.304 0.275 1.00 0.00 C ATOM 965 OXT ILE A 60 -3.562 -4.392 2.093 1.00 0.00 O ATOM 0 H ILE A 60 -1.469 -4.915 4.055 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.537 -2.105 3.218 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.076 -2.973 0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.211 -5.490 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.649 -5.356 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.361 -3.176 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.613 -1.885 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.991 -3.454 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.189 -6.383 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.255 -4.816 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.205 -4.952 0.412 1.00 0.00 H new TER 977 ILE A 60