USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.61) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.3!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 44 TYR OH : rot -38:sc= -2.91! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 85:sc= 0.965 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -94:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 5.335 2.247 1.080 1.00 0.00 N ATOM 20 CA MET A 3 5.841 2.421 2.436 1.00 0.00 C ATOM 21 C MET A 3 7.205 3.105 2.425 1.00 0.00 C ATOM 22 O MET A 3 7.367 4.194 2.973 1.00 0.00 O ATOM 23 CB MET A 3 5.941 1.069 3.143 1.00 0.00 C ATOM 24 CG MET A 3 4.596 0.506 3.572 1.00 0.00 C ATOM 25 SD MET A 3 4.410 0.441 5.365 1.00 0.00 S ATOM 26 CE MET A 3 5.293 -1.071 5.742 1.00 0.00 C ATOM 0 HA MET A 3 5.141 3.056 2.979 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.429 0.356 2.478 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.578 1.174 4.021 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.799 1.118 3.150 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.479 -0.497 3.162 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.267 -1.249 6.817 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.822 -1.906 5.224 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.329 -0.979 5.414 1.00 0.00 H new ATOM 36 N GLU A 4 8.181 2.456 1.797 1.00 0.00 N ATOM 37 CA GLU A 4 9.531 3.002 1.716 1.00 0.00 C ATOM 38 C GLU A 4 9.509 4.431 1.179 1.00 0.00 C ATOM 39 O GLU A 4 10.154 5.322 1.731 1.00 0.00 O ATOM 40 CB GLU A 4 10.408 2.123 0.822 1.00 0.00 C ATOM 41 CG GLU A 4 10.484 0.676 1.278 1.00 0.00 C ATOM 42 CD GLU A 4 11.854 0.066 1.056 1.00 0.00 C ATOM 43 OE1 GLU A 4 12.846 0.634 1.560 1.00 0.00 O ATOM 44 OE2 GLU A 4 11.935 -0.980 0.379 1.00 0.00 O ATOM 0 H GLU A 4 8.062 1.553 1.338 1.00 0.00 H new ATOM 0 HA GLU A 4 9.950 3.017 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.021 2.154 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.415 2.539 0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.232 0.619 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.738 0.090 0.741 1.00 0.00 H new ATOM 51 N ARG A 5 8.762 4.639 0.100 1.00 0.00 N ATOM 52 CA ARG A 5 8.657 5.958 -0.513 1.00 0.00 C ATOM 53 C ARG A 5 8.036 6.960 0.456 1.00 0.00 C ATOM 54 O ARG A 5 8.585 8.038 0.688 1.00 0.00 O ATOM 55 CB ARG A 5 7.821 5.884 -1.792 1.00 0.00 C ATOM 56 CG ARG A 5 8.342 4.876 -2.803 1.00 0.00 C ATOM 57 CD ARG A 5 9.763 5.204 -3.234 1.00 0.00 C ATOM 58 NE ARG A 5 10.090 4.619 -4.532 1.00 0.00 N ATOM 59 CZ ARG A 5 10.435 3.347 -4.698 1.00 0.00 C ATOM 60 NH1 ARG A 5 10.498 2.532 -3.655 1.00 0.00 N ATOM 61 NH2 ARG A 5 10.718 2.889 -5.911 1.00 0.00 N ATOM 0 H ARG A 5 8.221 3.912 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 5 9.663 6.296 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.795 5.626 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.794 6.870 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.314 3.876 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.689 4.864 -3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.887 6.286 -3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.463 4.837 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 5 10.051 5.220 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.281 2.881 -2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.763 1.556 -3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.671 3.514 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.983 1.912 -6.038 1.00 0.00 H new ATOM 75 N LEU A 6 6.889 6.598 1.019 1.00 0.00 N ATOM 76 CA LEU A 6 6.192 7.465 1.963 1.00 0.00 C ATOM 77 C LEU A 6 7.087 7.808 3.150 1.00 0.00 C ATOM 78 O LEU A 6 7.083 8.939 3.637 1.00 0.00 O ATOM 79 CB LEU A 6 4.910 6.791 2.455 1.00 0.00 C ATOM 80 CG LEU A 6 4.215 7.457 3.643 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.774 8.866 3.282 1.00 0.00 C ATOM 82 CD2 LEU A 6 3.026 6.624 4.101 1.00 0.00 C ATOM 0 H LEU A 6 6.421 5.710 0.838 1.00 0.00 H new ATOM 0 HA LEU A 6 5.934 8.389 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.205 6.747 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.146 5.762 2.728 1.00 0.00 H new ATOM 0 HG LEU A 6 4.926 7.521 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.281 9.324 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.645 9.460 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.079 8.826 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.543 7.113 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.313 6.527 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.369 5.634 4.402 1.00 0.00 H new ATOM 94 N ARG A 7 7.855 6.825 3.609 1.00 0.00 N ATOM 95 CA ARG A 7 8.756 7.023 4.738 1.00 0.00 C ATOM 96 C ARG A 7 9.837 8.045 4.398 1.00 0.00 C ATOM 97 O ARG A 7 10.058 9.001 5.142 1.00 0.00 O ATOM 98 CB ARG A 7 9.403 5.696 5.141 1.00 0.00 C ATOM 99 CG ARG A 7 10.281 5.797 6.377 1.00 0.00 C ATOM 100 CD ARG A 7 9.912 4.744 7.410 1.00 0.00 C ATOM 101 NE ARG A 7 10.392 3.417 7.034 1.00 0.00 N ATOM 102 CZ ARG A 7 11.672 3.065 7.057 1.00 0.00 C ATOM 103 NH1 ARG A 7 12.596 3.937 7.435 1.00 0.00 N ATOM 104 NH2 ARG A 7 12.031 1.838 6.700 1.00 0.00 N ATOM 0 H ARG A 7 7.871 5.884 3.216 1.00 0.00 H new ATOM 0 HA ARG A 7 8.171 7.403 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.620 4.960 5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.003 5.326 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.327 5.679 6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.181 6.790 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.333 5.021 8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.829 4.717 7.530 1.00 0.00 H new ATOM 0 HE ARG A 7 9.706 2.723 6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.324 4.881 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.579 3.664 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.323 1.164 6.408 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.015 1.569 6.718 1.00 0.00 H new ATOM 118 N ASP A 8 10.507 7.837 3.270 1.00 0.00 N ATOM 119 CA ASP A 8 11.564 8.740 2.831 1.00 0.00 C ATOM 120 C ASP A 8 11.009 10.135 2.557 1.00 0.00 C ATOM 121 O ASP A 8 11.564 11.135 3.010 1.00 0.00 O ATOM 122 CB ASP A 8 12.243 8.193 1.575 1.00 0.00 C ATOM 123 CG ASP A 8 12.946 6.873 1.825 1.00 0.00 C ATOM 124 OD1 ASP A 8 13.360 6.630 2.978 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.080 6.082 0.868 1.00 0.00 O ATOM 0 H ASP A 8 10.337 7.051 2.643 1.00 0.00 H new ATOM 0 HA ASP A 8 12.301 8.812 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.498 8.061 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.966 8.923 1.209 1.00 0.00 H new ATOM 130 N VAL A 9 9.910 10.192 1.812 1.00 0.00 N ATOM 131 CA VAL A 9 9.279 11.463 1.477 1.00 0.00 C ATOM 132 C VAL A 9 8.812 12.192 2.732 1.00 0.00 C ATOM 133 O VAL A 9 9.241 13.313 3.007 1.00 0.00 O ATOM 134 CB VAL A 9 8.076 11.263 0.536 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.415 12.596 0.222 1.00 0.00 C ATOM 136 CG2 VAL A 9 8.511 10.560 -0.741 1.00 0.00 C ATOM 0 H VAL A 9 9.438 9.373 1.429 1.00 0.00 H new ATOM 0 HA VAL A 9 10.032 12.065 0.969 1.00 0.00 H new ATOM 0 HB VAL A 9 7.344 10.632 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.567 12.434 -0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.067 13.056 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.136 13.255 -0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.649 10.427 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.263 11.163 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.933 9.586 -0.494 1.00 0.00 H new ATOM 146 N ARG A 10 7.931 11.548 3.491 1.00 0.00 N ATOM 147 CA ARG A 10 7.406 12.136 4.717 1.00 0.00 C ATOM 148 C ARG A 10 8.539 12.605 5.625 1.00 0.00 C ATOM 149 O ARG A 10 8.469 13.684 6.213 1.00 0.00 O ATOM 150 CB ARG A 10 6.531 11.123 5.459 1.00 0.00 C ATOM 151 CG ARG A 10 5.958 11.653 6.763 1.00 0.00 C ATOM 152 CD ARG A 10 4.460 11.891 6.658 1.00 0.00 C ATOM 153 NE ARG A 10 3.961 12.728 7.746 1.00 0.00 N ATOM 154 CZ ARG A 10 2.761 13.298 7.743 1.00 0.00 C ATOM 155 NH1 ARG A 10 1.942 13.122 6.716 1.00 0.00 N ATOM 156 NH2 ARG A 10 2.379 14.046 8.770 1.00 0.00 N ATOM 0 H ARG A 10 7.566 10.620 3.278 1.00 0.00 H new ATOM 0 HA ARG A 10 6.800 13.000 4.445 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.711 10.819 4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.121 10.230 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.159 10.943 7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.458 12.584 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.234 12.365 5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.939 10.934 6.669 1.00 0.00 H new ATOM 0 HE ARG A 10 4.567 12.883 8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.232 12.547 5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.021 13.561 6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.007 14.184 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.458 14.484 8.767 1.00 0.00 H new ATOM 170 N GLU A 11 9.582 11.788 5.732 1.00 0.00 N ATOM 171 CA GLU A 11 10.729 12.120 6.569 1.00 0.00 C ATOM 172 C GLU A 11 11.495 13.308 5.995 1.00 0.00 C ATOM 173 O GLU A 11 11.934 14.191 6.732 1.00 0.00 O ATOM 174 CB GLU A 11 11.660 10.912 6.699 1.00 0.00 C ATOM 175 CG GLU A 11 12.825 11.142 7.646 1.00 0.00 C ATOM 176 CD GLU A 11 12.934 10.066 8.709 1.00 0.00 C ATOM 177 OE1 GLU A 11 13.039 8.877 8.341 1.00 0.00 O ATOM 178 OE2 GLU A 11 12.913 10.412 9.909 1.00 0.00 O ATOM 0 H GLU A 11 9.656 10.892 5.250 1.00 0.00 H new ATOM 0 HA GLU A 11 10.359 12.392 7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.083 10.055 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.049 10.656 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.752 11.177 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.711 12.113 8.128 1.00 0.00 H new ATOM 185 N ARG A 12 11.652 13.322 4.676 1.00 0.00 N ATOM 186 CA ARG A 12 12.366 14.399 4.003 1.00 0.00 C ATOM 187 C ARG A 12 11.670 15.738 4.229 1.00 0.00 C ATOM 188 O ARG A 12 12.309 16.732 4.578 1.00 0.00 O ATOM 189 CB ARG A 12 12.470 14.113 2.503 1.00 0.00 C ATOM 190 CG ARG A 12 13.873 13.745 2.049 1.00 0.00 C ATOM 191 CD ARG A 12 14.029 12.241 1.886 1.00 0.00 C ATOM 192 NE ARG A 12 14.274 11.576 3.163 1.00 0.00 N ATOM 193 CZ ARG A 12 14.819 10.369 3.270 1.00 0.00 C ATOM 194 NH1 ARG A 12 15.175 9.700 2.182 1.00 0.00 N ATOM 195 NH2 ARG A 12 15.010 9.830 4.467 1.00 0.00 N ATOM 0 H ARG A 12 11.294 12.599 4.052 1.00 0.00 H new ATOM 0 HA ARG A 12 13.369 14.454 4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.790 13.300 2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.137 14.992 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.092 14.239 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.599 14.111 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.128 11.830 1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.854 12.034 1.205 1.00 0.00 H new ATOM 0 HE ARG A 12 14.013 12.065 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.031 10.112 1.260 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.593 8.774 2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.738 10.342 5.306 1.00 0.00 H new ATOM 0 HH22 ARG A 12 15.428 8.903 4.548 1.00 0.00 H new ATOM 209 N LEU A 13 10.357 15.757 4.027 1.00 0.00 N ATOM 210 CA LEU A 13 9.573 16.974 4.209 1.00 0.00 C ATOM 211 C LEU A 13 9.609 17.433 5.663 1.00 0.00 C ATOM 212 O LEU A 13 9.966 18.574 5.954 1.00 0.00 O ATOM 213 CB LEU A 13 8.126 16.741 3.771 1.00 0.00 C ATOM 214 CG LEU A 13 7.536 17.784 2.821 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.113 17.412 2.437 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.574 19.167 3.457 1.00 0.00 C ATOM 0 H LEU A 13 9.813 14.944 3.737 1.00 0.00 H new ATOM 0 HA LEU A 13 10.012 17.756 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.066 15.765 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.500 16.696 4.662 1.00 0.00 H new ATOM 0 HG LEU A 13 8.141 17.805 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.710 18.166 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.112 16.441 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.495 17.362 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.150 19.897 2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.993 19.160 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.606 19.436 3.681 1.00 0.00 H new ATOM 228 N GLN A 14 9.239 16.536 6.571 1.00 0.00 N ATOM 229 CA GLN A 14 9.231 16.849 7.995 1.00 0.00 C ATOM 230 C GLN A 14 10.572 17.431 8.432 1.00 0.00 C ATOM 231 O GLN A 14 10.651 18.587 8.848 1.00 0.00 O ATOM 232 CB GLN A 14 8.916 15.595 8.813 1.00 0.00 C ATOM 233 CG GLN A 14 7.515 15.053 8.579 1.00 0.00 C ATOM 234 CD GLN A 14 6.465 15.776 9.399 1.00 0.00 C ATOM 235 OE1 GLN A 14 6.217 15.430 10.555 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.841 16.786 8.805 1.00 0.00 N ATOM 0 H GLN A 14 8.941 15.587 6.346 1.00 0.00 H new ATOM 0 HA GLN A 14 8.456 17.595 8.173 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.642 14.820 8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.037 15.822 9.872 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.268 15.140 7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.495 13.991 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.078 17.039 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.125 17.309 9.308 1.00 0.00 H new ATOM 245 N ALA A 15 11.622 16.624 8.334 1.00 0.00 N ATOM 246 CA ALA A 15 12.959 17.060 8.717 1.00 0.00 C ATOM 247 C ALA A 15 13.319 18.381 8.047 1.00 0.00 C ATOM 248 O ALA A 15 13.845 19.290 8.688 1.00 0.00 O ATOM 249 CB ALA A 15 13.984 15.991 8.366 1.00 0.00 C ATOM 0 H ALA A 15 11.573 15.664 7.992 1.00 0.00 H new ATOM 0 HA ALA A 15 12.968 17.216 9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.978 16.330 8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.745 15.069 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.964 15.807 7.292 1.00 0.00 H new ATOM 255 N TRP A 16 13.034 18.479 6.753 1.00 0.00 N ATOM 256 CA TRP A 16 13.329 19.690 5.996 1.00 0.00 C ATOM 257 C TRP A 16 12.778 20.923 6.703 1.00 0.00 C ATOM 258 O TRP A 16 13.529 21.696 7.296 1.00 0.00 O ATOM 259 CB TRP A 16 12.742 19.590 4.587 1.00 0.00 C ATOM 260 CG TRP A 16 12.741 20.896 3.850 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.655 21.549 3.340 1.00 0.00 C ATOM 262 CD2 TRP A 16 13.881 21.704 3.539 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.051 22.715 2.731 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.412 22.834 2.840 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.251 21.586 3.785 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.266 23.835 2.385 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.098 22.580 3.332 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.603 23.693 2.639 1.00 0.00 C ATOM 0 H TRP A 16 12.599 17.735 6.207 1.00 0.00 H new ATOM 0 HA TRP A 16 14.412 19.789 5.925 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.312 18.858 4.015 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.720 19.217 4.652 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.635 21.200 3.406 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.432 23.384 2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.642 20.733 4.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 13.887 24.693 1.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.159 22.498 3.515 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.290 24.453 2.299 1.00 0.00 H new ATOM 279 N GLU A 17 11.462 21.099 6.638 1.00 0.00 N ATOM 280 CA GLU A 17 10.812 22.240 7.273 1.00 0.00 C ATOM 281 C GLU A 17 11.268 22.388 8.721 1.00 0.00 C ATOM 282 O GLU A 17 11.317 23.496 9.257 1.00 0.00 O ATOM 283 CB GLU A 17 9.291 22.083 7.219 1.00 0.00 C ATOM 284 CG GLU A 17 8.772 20.902 8.020 1.00 0.00 C ATOM 285 CD GLU A 17 7.258 20.874 8.105 1.00 0.00 C ATOM 286 OE1 GLU A 17 6.606 20.846 7.040 1.00 0.00 O ATOM 287 OE2 GLU A 17 6.726 20.880 9.234 1.00 0.00 O ATOM 0 H GLU A 17 10.825 20.467 6.153 1.00 0.00 H new ATOM 0 HA GLU A 17 11.097 23.139 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.827 22.996 7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.983 21.970 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.124 19.976 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.188 20.940 9.027 1.00 0.00 H new ATOM 294 N ARG A 18 11.600 21.265 9.349 1.00 0.00 N ATOM 295 CA ARG A 18 12.050 21.270 10.736 1.00 0.00 C ATOM 296 C ARG A 18 13.278 22.160 10.906 1.00 0.00 C ATOM 297 O ARG A 18 13.195 23.244 11.482 1.00 0.00 O ATOM 298 CB ARG A 18 12.372 19.846 11.194 1.00 0.00 C ATOM 299 CG ARG A 18 11.460 19.342 12.301 1.00 0.00 C ATOM 300 CD ARG A 18 12.134 19.429 13.661 1.00 0.00 C ATOM 301 NE ARG A 18 13.034 18.303 13.899 1.00 0.00 N ATOM 302 CZ ARG A 18 13.791 18.184 14.984 1.00 0.00 C ATOM 303 NH1 ARG A 18 13.756 19.116 15.927 1.00 0.00 N ATOM 304 NH2 ARG A 18 14.584 17.130 15.129 1.00 0.00 N ATOM 0 H ARG A 18 11.566 20.340 8.920 1.00 0.00 H new ATOM 0 HA ARG A 18 11.245 21.670 11.352 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.299 19.173 10.340 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.405 19.810 11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.541 19.927 12.311 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.178 18.309 12.099 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.694 20.362 13.729 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.374 19.456 14.441 1.00 0.00 H new ATOM 0 HE ARG A 18 13.084 17.568 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.147 19.927 15.820 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.338 19.022 16.759 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.613 16.410 14.407 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.165 17.040 15.963 1.00 0.00 H new ATOM 318 N ALA A 19 14.415 21.693 10.402 1.00 0.00 N ATOM 319 CA ALA A 19 15.659 22.447 10.498 1.00 0.00 C ATOM 320 C ALA A 19 15.605 23.705 9.639 1.00 0.00 C ATOM 321 O ALA A 19 16.310 24.680 9.903 1.00 0.00 O ATOM 322 CB ALA A 19 16.837 21.575 10.087 1.00 0.00 C ATOM 0 H ALA A 19 14.501 20.796 9.923 1.00 0.00 H new ATOM 0 HA ALA A 19 15.792 22.753 11.536 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.760 22.150 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.895 20.708 10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.701 21.242 9.058 1.00 0.00 H new ATOM 328 N PHE A 20 14.765 23.678 8.609 1.00 0.00 N ATOM 329 CA PHE A 20 14.621 24.817 7.710 1.00 0.00 C ATOM 330 C PHE A 20 14.107 26.042 8.462 1.00 0.00 C ATOM 331 O PHE A 20 14.828 27.024 8.636 1.00 0.00 O ATOM 332 CB PHE A 20 13.669 24.472 6.564 1.00 0.00 C ATOM 333 CG PHE A 20 13.017 25.674 5.943 1.00 0.00 C ATOM 334 CD1 PHE A 20 13.778 26.633 5.294 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.643 25.844 6.007 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.180 27.740 4.722 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.040 26.950 5.437 1.00 0.00 C ATOM 338 CZ PHE A 20 11.810 27.898 4.793 1.00 0.00 C ATOM 0 H PHE A 20 14.174 22.880 8.376 1.00 0.00 H new ATOM 0 HA PHE A 20 15.603 25.050 7.299 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.220 23.930 5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.895 23.800 6.935 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.850 26.514 5.234 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.036 25.104 6.508 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.784 28.481 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.969 27.072 5.495 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.341 28.762 4.345 1.00 0.00 H new ATOM 348 N ARG A 21 12.855 25.975 8.904 1.00 0.00 N ATOM 349 CA ARG A 21 12.243 27.077 9.635 1.00 0.00 C ATOM 350 C ARG A 21 12.924 27.280 10.985 1.00 0.00 C ATOM 351 O ARG A 21 12.709 28.290 11.655 1.00 0.00 O ATOM 352 CB ARG A 21 10.750 26.815 9.839 1.00 0.00 C ATOM 353 CG ARG A 21 10.085 27.792 10.796 1.00 0.00 C ATOM 354 CD ARG A 21 8.641 28.060 10.404 1.00 0.00 C ATOM 355 NE ARG A 21 8.255 29.446 10.655 1.00 0.00 N ATOM 356 CZ ARG A 21 7.017 29.903 10.501 1.00 0.00 C ATOM 357 NH1 ARG A 21 6.051 29.089 10.098 1.00 0.00 N ATOM 358 NH2 ARG A 21 6.743 31.178 10.749 1.00 0.00 N ATOM 0 H ARG A 21 12.245 25.169 8.768 1.00 0.00 H new ATOM 0 HA ARG A 21 12.368 27.985 9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.246 26.865 8.874 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.616 25.801 10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.120 27.391 11.809 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.641 28.730 10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.504 27.831 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.984 27.394 10.963 1.00 0.00 H new ATOM 0 HE ARG A 21 8.975 30.099 10.965 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.257 28.109 9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.102 29.443 9.981 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.483 31.808 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.792 31.528 10.630 1.00 0.00 H new ATOM 372 N ARG A 22 13.746 26.312 11.378 1.00 0.00 N ATOM 373 CA ARG A 22 14.458 26.383 12.649 1.00 0.00 C ATOM 374 C ARG A 22 15.625 27.362 12.565 1.00 0.00 C ATOM 375 O ARG A 22 15.825 28.181 13.461 1.00 0.00 O ATOM 376 CB ARG A 22 14.969 24.998 13.049 1.00 0.00 C ATOM 377 CG ARG A 22 14.069 24.280 14.042 1.00 0.00 C ATOM 378 CD ARG A 22 14.611 24.380 15.459 1.00 0.00 C ATOM 379 NE ARG A 22 13.599 24.043 16.457 1.00 0.00 N ATOM 380 CZ ARG A 22 13.853 23.946 17.757 1.00 0.00 C ATOM 381 NH1 ARG A 22 15.079 24.160 18.214 1.00 0.00 N ATOM 382 NH2 ARG A 22 12.880 23.635 18.603 1.00 0.00 N ATOM 0 H ARG A 22 13.935 25.470 10.835 1.00 0.00 H new ATOM 0 HA ARG A 22 13.761 26.739 13.408 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.070 24.385 12.154 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.965 25.098 13.481 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.068 24.709 14.003 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.978 23.231 13.759 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.465 23.711 15.569 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.974 25.392 15.638 1.00 0.00 H new ATOM 0 HE ARG A 22 12.645 23.873 16.138 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.830 24.400 17.567 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.271 24.085 19.213 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.935 23.470 18.255 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.076 23.561 19.601 1.00 0.00 H new ATOM 396 N GLN A 23 16.390 27.271 11.482 1.00 0.00 N ATOM 397 CA GLN A 23 17.538 28.149 11.282 1.00 0.00 C ATOM 398 C GLN A 23 17.166 29.339 10.404 1.00 0.00 C ATOM 399 O GLN A 23 17.555 30.473 10.683 1.00 0.00 O ATOM 400 CB GLN A 23 18.695 27.374 10.649 1.00 0.00 C ATOM 401 CG GLN A 23 18.366 26.800 9.280 1.00 0.00 C ATOM 402 CD GLN A 23 19.095 25.501 9.002 1.00 0.00 C ATOM 403 OE1 GLN A 23 18.506 24.538 8.509 1.00 0.00 O ATOM 404 NE2 GLN A 23 20.385 25.466 9.316 1.00 0.00 N ATOM 0 H GLN A 23 16.236 26.599 10.730 1.00 0.00 H new ATOM 0 HA GLN A 23 17.852 28.524 12.256 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.558 28.034 10.559 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.984 26.561 11.315 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.291 26.631 9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.625 27.529 8.513 1.00 0.00 H new ATOM 0 HE21 GLN A 23 20.833 26.287 9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.927 24.618 9.150 1.00 0.00 H new ATOM 413 N ARG A 24 16.413 29.072 9.342 1.00 0.00 N ATOM 414 CA ARG A 24 15.990 30.121 8.422 1.00 0.00 C ATOM 415 C ARG A 24 14.701 30.781 8.904 1.00 0.00 C ATOM 416 O ARG A 24 14.721 31.888 9.441 1.00 0.00 O ATOM 417 CB ARG A 24 15.788 29.547 7.019 1.00 0.00 C ATOM 418 CG ARG A 24 17.088 29.281 6.277 1.00 0.00 C ATOM 419 CD ARG A 24 17.689 30.566 5.727 1.00 0.00 C ATOM 420 NE ARG A 24 18.784 31.057 6.559 1.00 0.00 N ATOM 421 CZ ARG A 24 19.511 32.128 6.259 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.259 32.816 5.154 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.491 32.513 7.067 1.00 0.00 N ATOM 0 H ARG A 24 16.083 28.138 9.097 1.00 0.00 H new ATOM 0 HA ARG A 24 16.774 30.877 8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.225 28.617 7.094 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.182 30.240 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.801 28.803 6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.905 28.584 5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.053 30.392 4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.914 31.329 5.660 1.00 0.00 H new ATOM 0 HE ARG A 24 19.003 30.550 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.506 32.524 4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.819 33.638 4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.686 31.987 7.919 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.049 33.335 6.836 1.00 0.00 H new ATOM 437 N GLY A 25 13.581 30.092 8.708 1.00 0.00 N ATOM 438 CA GLY A 25 12.299 30.626 9.128 1.00 0.00 C ATOM 439 C GLY A 25 11.670 31.519 8.076 1.00 0.00 C ATOM 440 O GLY A 25 11.001 32.499 8.403 1.00 0.00 O ATOM 0 H GLY A 25 13.539 29.174 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.622 29.802 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.429 31.192 10.050 1.00 0.00 H new ATOM 444 N ARG A 26 11.887 31.180 6.809 1.00 0.00 N ATOM 445 CA ARG A 26 11.339 31.960 5.705 1.00 0.00 C ATOM 446 C ARG A 26 11.802 31.402 4.363 1.00 0.00 C ATOM 447 O ARG A 26 12.710 30.573 4.304 1.00 0.00 O ATOM 448 CB ARG A 26 11.758 33.426 5.832 1.00 0.00 C ATOM 449 CG ARG A 26 10.589 34.380 6.012 1.00 0.00 C ATOM 450 CD ARG A 26 11.002 35.822 5.762 1.00 0.00 C ATOM 451 NE ARG A 26 10.560 36.300 4.455 1.00 0.00 N ATOM 452 CZ ARG A 26 10.533 37.583 4.113 1.00 0.00 C ATOM 453 NH1 ARG A 26 10.923 38.512 4.976 1.00 0.00 N ATOM 454 NH2 ARG A 26 10.118 37.940 2.904 1.00 0.00 N ATOM 0 H ARG A 26 12.438 30.371 6.522 1.00 0.00 H new ATOM 0 HA ARG A 26 10.252 31.894 5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.434 33.530 6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.317 33.714 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.786 34.107 5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.192 34.284 7.023 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.584 36.459 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.087 35.905 5.830 1.00 0.00 H new ATOM 0 HE ARG A 26 10.255 35.611 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.245 38.242 5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.901 39.496 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.819 37.229 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.098 38.926 2.642 1.00 0.00 H new ATOM 468 N ARG A 27 11.170 31.861 3.288 1.00 0.00 N ATOM 469 CA ARG A 27 11.516 31.406 1.946 1.00 0.00 C ATOM 470 C ARG A 27 13.029 31.371 1.757 1.00 0.00 C ATOM 471 O ARG A 27 13.713 32.393 1.829 1.00 0.00 O ATOM 472 CB ARG A 27 10.881 32.320 0.896 1.00 0.00 C ATOM 473 CG ARG A 27 10.445 31.588 -0.363 1.00 0.00 C ATOM 474 CD ARG A 27 9.707 32.514 -1.318 1.00 0.00 C ATOM 475 NE ARG A 27 10.602 33.484 -1.941 1.00 0.00 N ATOM 476 CZ ARG A 27 10.179 34.543 -2.624 1.00 0.00 C ATOM 477 NH1 ARG A 27 8.880 34.766 -2.769 1.00 0.00 N ATOM 478 NH2 ARG A 27 11.056 35.380 -3.162 1.00 0.00 N ATOM 0 H ARG A 27 10.416 32.547 3.320 1.00 0.00 H new ATOM 0 HA ARG A 27 11.128 30.395 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.016 32.818 1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.594 33.099 0.625 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.318 31.169 -0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.800 30.752 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.219 31.922 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.921 33.041 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 27 11.608 33.341 -1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.203 34.124 -2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.558 35.579 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.056 35.211 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.731 36.192 -3.686 1.00 0.00 H new ATOM 492 N PRO A 28 13.567 30.167 1.510 1.00 0.00 N ATOM 493 CA PRO A 28 15.005 29.970 1.306 1.00 0.00 C ATOM 494 C PRO A 28 15.491 30.566 -0.011 1.00 0.00 C ATOM 495 O PRO A 28 14.759 31.293 -0.682 1.00 0.00 O ATOM 496 CB PRO A 28 15.155 28.446 1.291 1.00 0.00 C ATOM 497 CG PRO A 28 13.823 27.939 0.860 1.00 0.00 C ATOM 498 CD PRO A 28 12.813 28.907 1.411 1.00 0.00 C ATOM 0 HA PRO A 28 15.597 30.463 2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.940 28.132 0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.424 28.065 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.759 27.885 -0.227 1.00 0.00 H new ATOM 0 HG3 PRO A 28 13.647 26.933 1.240 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.950 29.006 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.437 28.586 2.383 1.00 0.00 H new ATOM 506 N SER A 29 16.730 30.253 -0.376 1.00 0.00 N ATOM 507 CA SER A 29 17.315 30.760 -1.611 1.00 0.00 C ATOM 508 C SER A 29 17.780 29.613 -2.503 1.00 0.00 C ATOM 509 O SER A 29 17.582 28.443 -2.180 1.00 0.00 O ATOM 510 CB SER A 29 18.491 31.689 -1.300 1.00 0.00 C ATOM 511 OG SER A 29 19.393 31.082 -0.392 1.00 0.00 O ATOM 0 H SER A 29 17.348 29.650 0.167 1.00 0.00 H new ATOM 0 HA SER A 29 16.548 31.323 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.013 31.941 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.119 32.623 -0.879 1.00 0.00 H new ATOM 0 HG SER A 29 20.136 31.694 -0.211 1.00 0.00 H new ATOM 517 N GLN A 30 18.400 29.960 -3.627 1.00 0.00 N ATOM 518 CA GLN A 30 18.893 28.960 -4.567 1.00 0.00 C ATOM 519 C GLN A 30 20.040 28.160 -3.958 1.00 0.00 C ATOM 520 O GLN A 30 20.380 27.079 -4.440 1.00 0.00 O ATOM 521 CB GLN A 30 19.353 29.630 -5.862 1.00 0.00 C ATOM 522 CG GLN A 30 18.298 29.630 -6.956 1.00 0.00 C ATOM 523 CD GLN A 30 18.449 30.796 -7.913 1.00 0.00 C ATOM 524 OE1 GLN A 30 19.265 31.692 -7.694 1.00 0.00 O ATOM 525 NE2 GLN A 30 17.663 30.790 -8.983 1.00 0.00 N ATOM 0 H GLN A 30 18.573 30.925 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 30 18.076 28.275 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 30 19.641 30.659 -5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.244 29.120 -6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.360 28.696 -7.515 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.308 29.664 -6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.001 30.027 -9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.721 31.548 -9.663 1.00 0.00 H new ATOM 534 N ASP A 31 20.632 28.698 -2.898 1.00 0.00 N ATOM 535 CA ASP A 31 21.741 28.033 -2.223 1.00 0.00 C ATOM 536 C ASP A 31 21.255 26.805 -1.460 1.00 0.00 C ATOM 537 O ASP A 31 21.867 25.739 -1.526 1.00 0.00 O ATOM 538 CB ASP A 31 22.437 29.002 -1.265 1.00 0.00 C ATOM 539 CG ASP A 31 23.265 30.041 -1.993 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.318 29.673 -2.555 1.00 0.00 O ATOM 541 OD2 ASP A 31 22.862 31.223 -2.002 1.00 0.00 O ATOM 0 H ASP A 31 20.363 29.592 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 31 22.454 27.708 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.688 29.503 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 31 23.079 28.440 -0.587 1.00 0.00 H new ATOM 546 N ASP A 32 20.153 26.962 -0.735 1.00 0.00 N ATOM 547 CA ASP A 32 19.585 25.866 0.041 1.00 0.00 C ATOM 548 C ASP A 32 18.789 24.922 -0.854 1.00 0.00 C ATOM 549 O ASP A 32 18.674 23.730 -0.570 1.00 0.00 O ATOM 550 CB ASP A 32 18.689 26.412 1.154 1.00 0.00 C ATOM 551 CG ASP A 32 18.689 25.526 2.384 1.00 0.00 C ATOM 552 OD1 ASP A 32 19.215 24.397 2.302 1.00 0.00 O ATOM 553 OD2 ASP A 32 18.164 25.963 3.430 1.00 0.00 O ATOM 0 H ASP A 32 19.635 27.838 -0.669 1.00 0.00 H new ATOM 0 HA ASP A 32 20.406 25.306 0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.025 27.411 1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.670 26.510 0.781 1.00 0.00 H new ATOM 558 N VAL A 33 18.240 25.464 -1.937 1.00 0.00 N ATOM 559 CA VAL A 33 17.454 24.670 -2.874 1.00 0.00 C ATOM 560 C VAL A 33 18.346 23.747 -3.696 1.00 0.00 C ATOM 561 O VAL A 33 18.080 22.551 -3.810 1.00 0.00 O ATOM 562 CB VAL A 33 16.645 25.568 -3.829 1.00 0.00 C ATOM 563 CG1 VAL A 33 15.905 24.725 -4.856 1.00 0.00 C ATOM 564 CG2 VAL A 33 15.676 26.441 -3.046 1.00 0.00 C ATOM 0 H VAL A 33 18.325 26.449 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 33 16.765 24.070 -2.280 1.00 0.00 H new ATOM 0 HB VAL A 33 17.338 26.220 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.339 25.377 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.623 24.147 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.222 24.046 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.113 27.069 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.987 25.808 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.233 27.072 -2.354 1.00 0.00 H new ATOM 574 N GLU A 34 19.407 24.311 -4.266 1.00 0.00 N ATOM 575 CA GLU A 34 20.339 23.537 -5.077 1.00 0.00 C ATOM 576 C GLU A 34 21.258 22.696 -4.197 1.00 0.00 C ATOM 577 O GLU A 34 22.051 21.897 -4.694 1.00 0.00 O ATOM 578 CB GLU A 34 21.172 24.467 -5.962 1.00 0.00 C ATOM 579 CG GLU A 34 21.520 23.869 -7.315 1.00 0.00 C ATOM 580 CD GLU A 34 23.004 23.935 -7.618 1.00 0.00 C ATOM 581 OE1 GLU A 34 23.491 25.032 -7.961 1.00 0.00 O ATOM 582 OE2 GLU A 34 23.678 22.889 -7.512 1.00 0.00 O ATOM 0 H GLU A 34 19.642 25.300 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 34 19.759 22.866 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.624 25.397 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.094 24.723 -5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 34 21.193 22.830 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.970 24.397 -8.094 1.00 0.00 H new ATOM 589 N ALA A 35 21.145 22.882 -2.886 1.00 0.00 N ATOM 590 CA ALA A 35 21.964 22.139 -1.936 1.00 0.00 C ATOM 591 C ALA A 35 21.500 20.691 -1.824 1.00 0.00 C ATOM 592 O ALA A 35 22.299 19.791 -1.570 1.00 0.00 O ATOM 593 CB ALA A 35 21.931 22.813 -0.571 1.00 0.00 C ATOM 0 H ALA A 35 20.495 23.541 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 35 22.990 22.136 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 35 22.547 22.248 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.318 23.828 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 35 20.904 22.846 -0.206 1.00 0.00 H new ATOM 599 N ALA A 36 20.203 20.474 -2.016 1.00 0.00 N ATOM 600 CA ALA A 36 19.632 19.135 -1.938 1.00 0.00 C ATOM 601 C ALA A 36 19.751 18.410 -3.274 1.00 0.00 C ATOM 602 O ALA A 36 19.943 19.021 -4.325 1.00 0.00 O ATOM 603 CB ALA A 36 18.177 19.206 -1.501 1.00 0.00 C ATOM 0 H ALA A 36 19.528 21.209 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 36 20.195 18.569 -1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 36 17.764 18.199 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.114 19.677 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 36 17.609 19.793 -2.222 1.00 0.00 H new ATOM 609 N PRO A 37 19.635 17.074 -3.236 1.00 0.00 N ATOM 610 CA PRO A 37 19.726 16.236 -4.435 1.00 0.00 C ATOM 611 C PRO A 37 18.525 16.412 -5.358 1.00 0.00 C ATOM 612 O PRO A 37 17.652 17.242 -5.103 1.00 0.00 O ATOM 613 CB PRO A 37 19.764 14.813 -3.872 1.00 0.00 C ATOM 614 CG PRO A 37 19.082 14.910 -2.551 1.00 0.00 C ATOM 615 CD PRO A 37 19.405 16.278 -2.018 1.00 0.00 C ATOM 0 HA PRO A 37 20.593 16.491 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.252 14.113 -4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.789 14.457 -3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.005 14.777 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.434 14.133 -1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.585 16.681 -1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.286 16.261 -1.377 1.00 0.00 H new ATOM 623 N GLU A 38 18.487 15.626 -6.429 1.00 0.00 N ATOM 624 CA GLU A 38 17.391 15.696 -7.389 1.00 0.00 C ATOM 625 C GLU A 38 16.072 15.289 -6.739 1.00 0.00 C ATOM 626 O GLU A 38 15.140 16.087 -6.650 1.00 0.00 O ATOM 627 CB GLU A 38 17.679 14.796 -8.592 1.00 0.00 C ATOM 628 CG GLU A 38 16.825 15.113 -9.808 1.00 0.00 C ATOM 629 CD GLU A 38 17.599 15.835 -10.893 1.00 0.00 C ATOM 630 OE1 GLU A 38 17.961 17.011 -10.680 1.00 0.00 O ATOM 631 OE2 GLU A 38 17.842 15.226 -11.955 1.00 0.00 O ATOM 0 H GLU A 38 19.202 14.934 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 38 17.305 16.728 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.731 14.891 -8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.516 13.757 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.418 14.186 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.978 15.727 -9.502 1.00 0.00 H new ATOM 638 N GLU A 39 16.002 14.040 -6.289 1.00 0.00 N ATOM 639 CA GLU A 39 14.796 13.526 -5.649 1.00 0.00 C ATOM 640 C GLU A 39 14.292 14.493 -4.581 1.00 0.00 C ATOM 641 O GLU A 39 13.148 14.946 -4.627 1.00 0.00 O ATOM 642 CB GLU A 39 15.068 12.156 -5.024 1.00 0.00 C ATOM 643 CG GLU A 39 14.936 11.003 -6.004 1.00 0.00 C ATOM 644 CD GLU A 39 16.072 10.006 -5.889 1.00 0.00 C ATOM 645 OE1 GLU A 39 17.239 10.442 -5.797 1.00 0.00 O ATOM 646 OE2 GLU A 39 15.795 8.788 -5.891 1.00 0.00 O ATOM 0 H GLU A 39 16.765 13.366 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 39 14.026 13.423 -6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.074 12.151 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.376 12.000 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.989 10.491 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.905 11.397 -7.020 1.00 0.00 H new ATOM 653 N THR A 40 15.155 14.806 -3.619 1.00 0.00 N ATOM 654 CA THR A 40 14.798 15.717 -2.539 1.00 0.00 C ATOM 655 C THR A 40 14.328 17.060 -3.086 1.00 0.00 C ATOM 656 O THR A 40 13.370 17.645 -2.580 1.00 0.00 O ATOM 657 CB THR A 40 15.986 15.950 -1.586 1.00 0.00 C ATOM 658 OG1 THR A 40 16.433 14.702 -1.045 1.00 0.00 O ATOM 659 CG2 THR A 40 15.595 16.889 -0.455 1.00 0.00 C ATOM 0 H THR A 40 16.106 14.442 -3.566 1.00 0.00 H new ATOM 0 HA THR A 40 13.984 15.249 -1.985 1.00 0.00 H new ATOM 0 HB THR A 40 16.795 16.408 -2.154 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.189 14.859 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.449 17.039 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.284 17.848 -0.869 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.771 16.454 0.111 1.00 0.00 H new ATOM 667 N ARG A 41 15.006 17.542 -4.121 1.00 0.00 N ATOM 668 CA ARG A 41 14.657 18.817 -4.736 1.00 0.00 C ATOM 669 C ARG A 41 13.211 18.809 -5.221 1.00 0.00 C ATOM 670 O ARG A 41 12.470 19.769 -5.010 1.00 0.00 O ATOM 671 CB ARG A 41 15.597 19.118 -5.906 1.00 0.00 C ATOM 672 CG ARG A 41 16.793 19.974 -5.522 1.00 0.00 C ATOM 673 CD ARG A 41 17.847 19.981 -6.617 1.00 0.00 C ATOM 674 NE ARG A 41 17.947 21.282 -7.273 1.00 0.00 N ATOM 675 CZ ARG A 41 17.145 21.673 -8.256 1.00 0.00 C ATOM 676 NH1 ARG A 41 16.187 20.868 -8.695 1.00 0.00 N ATOM 677 NH2 ARG A 41 17.298 22.873 -8.802 1.00 0.00 N ATOM 0 H ARG A 41 15.800 17.069 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 41 14.765 19.597 -3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.954 18.177 -6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.036 19.624 -6.691 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.464 20.994 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.230 19.597 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.814 19.715 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.605 19.219 -7.358 1.00 0.00 H new ATOM 0 HE ARG A 41 18.673 21.926 -6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.065 19.946 -8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.572 21.171 -9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.033 23.496 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.681 23.172 -9.557 1.00 0.00 H new ATOM 691 N ALA A 42 12.816 17.720 -5.871 1.00 0.00 N ATOM 692 CA ALA A 42 11.458 17.586 -6.384 1.00 0.00 C ATOM 693 C ALA A 42 10.437 17.623 -5.252 1.00 0.00 C ATOM 694 O ALA A 42 9.486 18.405 -5.286 1.00 0.00 O ATOM 695 CB ALA A 42 11.319 16.297 -7.180 1.00 0.00 C ATOM 0 H ALA A 42 13.417 16.917 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 42 11.261 18.431 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.300 16.210 -7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.016 16.310 -8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.541 15.446 -6.536 1.00 0.00 H new ATOM 701 N LEU A 43 10.640 16.774 -4.251 1.00 0.00 N ATOM 702 CA LEU A 43 9.736 16.710 -3.107 1.00 0.00 C ATOM 703 C LEU A 43 9.710 18.038 -2.359 1.00 0.00 C ATOM 704 O LEU A 43 8.645 18.532 -1.987 1.00 0.00 O ATOM 705 CB LEU A 43 10.160 15.586 -2.160 1.00 0.00 C ATOM 706 CG LEU A 43 10.499 14.247 -2.817 1.00 0.00 C ATOM 707 CD1 LEU A 43 11.720 13.624 -2.158 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.310 13.301 -2.744 1.00 0.00 C ATOM 0 H LEU A 43 11.422 16.120 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 43 8.732 16.504 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.030 15.922 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.358 15.422 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 43 10.730 14.427 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.947 12.672 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.572 14.295 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.517 13.458 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.569 12.353 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.047 13.126 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.460 13.744 -3.263 1.00 0.00 H new ATOM 720 N TYR A 44 10.888 18.613 -2.142 1.00 0.00 N ATOM 721 CA TYR A 44 11.000 19.884 -1.437 1.00 0.00 C ATOM 722 C TYR A 44 10.307 21.000 -2.214 1.00 0.00 C ATOM 723 O TYR A 44 9.362 21.618 -1.724 1.00 0.00 O ATOM 724 CB TYR A 44 12.471 20.240 -1.214 1.00 0.00 C ATOM 725 CG TYR A 44 12.734 21.728 -1.169 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.098 22.538 -0.237 1.00 0.00 C ATOM 727 CD2 TYR A 44 13.620 22.323 -2.059 1.00 0.00 C ATOM 728 CE1 TYR A 44 12.335 23.898 -0.193 1.00 0.00 C ATOM 729 CE2 TYR A 44 13.864 23.683 -2.022 1.00 0.00 C ATOM 730 CZ TYR A 44 13.219 24.466 -1.087 1.00 0.00 C ATOM 731 OH TYR A 44 13.459 25.820 -1.046 1.00 0.00 O ATOM 0 H TYR A 44 11.779 18.219 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 44 10.508 19.779 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.807 19.792 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.068 19.798 -2.012 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.406 22.097 0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 44 14.126 21.712 -2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.831 24.514 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 44 14.555 24.130 -2.721 1.00 0.00 H new ATOM 0 HH TYR A 44 12.625 26.294 -0.847 1.00 0.00 H new ATOM 741 N ARG A 45 10.786 21.252 -3.428 1.00 0.00 N ATOM 742 CA ARG A 45 10.214 22.294 -4.273 1.00 0.00 C ATOM 743 C ARG A 45 8.719 22.069 -4.476 1.00 0.00 C ATOM 744 O ARG A 45 7.972 23.010 -4.742 1.00 0.00 O ATOM 745 CB ARG A 45 10.925 22.328 -5.627 1.00 0.00 C ATOM 746 CG ARG A 45 11.053 23.725 -6.213 1.00 0.00 C ATOM 747 CD ARG A 45 11.085 23.691 -7.733 1.00 0.00 C ATOM 748 NE ARG A 45 12.327 24.243 -8.266 1.00 0.00 N ATOM 749 CZ ARG A 45 12.462 24.677 -9.515 1.00 0.00 C ATOM 750 NH1 ARG A 45 11.436 24.623 -10.353 1.00 0.00 N ATOM 751 NH2 ARG A 45 13.625 25.166 -9.927 1.00 0.00 N ATOM 0 H ARG A 45 11.568 20.750 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 45 10.354 23.252 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.920 21.897 -5.516 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.381 21.697 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.216 24.339 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.962 24.196 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.969 22.663 -8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.239 24.255 -8.126 1.00 0.00 H new ATOM 0 HE ARG A 45 13.135 24.299 -7.646 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.541 24.248 -10.040 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.542 24.957 -11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.416 25.209 -9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.727 25.499 -10.886 1.00 0.00 H new ATOM 765 N GLU A 46 8.291 20.817 -4.350 1.00 0.00 N ATOM 766 CA GLU A 46 6.885 20.470 -4.521 1.00 0.00 C ATOM 767 C GLU A 46 6.047 21.005 -3.363 1.00 0.00 C ATOM 768 O GLU A 46 5.097 21.761 -3.567 1.00 0.00 O ATOM 769 CB GLU A 46 6.721 18.952 -4.626 1.00 0.00 C ATOM 770 CG GLU A 46 5.271 18.498 -4.661 1.00 0.00 C ATOM 771 CD GLU A 46 5.133 17.007 -4.898 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.569 16.224 -4.029 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.588 16.623 -5.954 1.00 0.00 O ATOM 0 H GLU A 46 8.897 20.027 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 46 6.533 20.931 -5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.225 18.602 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.220 18.481 -3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.790 18.758 -3.718 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.744 19.038 -5.448 1.00 0.00 H new ATOM 780 N TYR A 47 6.406 20.606 -2.148 1.00 0.00 N ATOM 781 CA TYR A 47 5.687 21.042 -0.957 1.00 0.00 C ATOM 782 C TYR A 47 5.955 22.515 -0.667 1.00 0.00 C ATOM 783 O TYR A 47 5.127 23.203 -0.070 1.00 0.00 O ATOM 784 CB TYR A 47 6.091 20.191 0.248 1.00 0.00 C ATOM 785 CG TYR A 47 5.422 20.611 1.538 1.00 0.00 C ATOM 786 CD1 TYR A 47 5.940 21.647 2.306 1.00 0.00 C ATOM 787 CD2 TYR A 47 4.274 19.973 1.988 1.00 0.00 C ATOM 788 CE1 TYR A 47 5.333 22.034 3.485 1.00 0.00 C ATOM 789 CE2 TYR A 47 3.659 20.354 3.165 1.00 0.00 C ATOM 790 CZ TYR A 47 4.193 21.385 3.910 1.00 0.00 C ATOM 791 OH TYR A 47 3.584 21.767 5.084 1.00 0.00 O ATOM 0 H TYR A 47 7.191 19.981 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 47 4.620 20.916 -1.141 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.846 19.149 0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.172 20.246 0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.832 22.158 1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.854 19.165 1.408 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.749 22.840 4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.766 19.848 3.500 1.00 0.00 H new ATOM 0 HH TYR A 47 2.793 21.210 5.238 1.00 0.00 H new ATOM 801 N ARG A 48 7.119 22.993 -1.095 1.00 0.00 N ATOM 802 CA ARG A 48 7.499 24.384 -0.881 1.00 0.00 C ATOM 803 C ARG A 48 6.731 25.308 -1.823 1.00 0.00 C ATOM 804 O ARG A 48 6.174 26.322 -1.400 1.00 0.00 O ATOM 805 CB ARG A 48 9.004 24.563 -1.090 1.00 0.00 C ATOM 806 CG ARG A 48 9.432 26.014 -1.228 1.00 0.00 C ATOM 807 CD ARG A 48 9.504 26.438 -2.686 1.00 0.00 C ATOM 808 NE ARG A 48 10.743 27.149 -2.989 1.00 0.00 N ATOM 809 CZ ARG A 48 10.945 27.829 -4.112 1.00 0.00 C ATOM 810 NH1 ARG A 48 9.993 27.890 -5.034 1.00 0.00 N ATOM 811 NH2 ARG A 48 12.099 28.451 -4.315 1.00 0.00 N ATOM 0 H ARG A 48 7.815 22.437 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 48 7.248 24.649 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.535 24.115 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.305 24.018 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.728 26.654 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.406 26.153 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.426 25.557 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.653 27.077 -2.920 1.00 0.00 H new ATOM 0 HE ARG A 48 11.495 27.122 -2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.104 27.414 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.150 28.413 -5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 48 12.833 28.408 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 48 12.252 28.973 -5.178 1.00 0.00 H new ATOM 825 N THR A 49 6.706 24.951 -3.103 1.00 0.00 N ATOM 826 CA THR A 49 6.009 25.747 -4.105 1.00 0.00 C ATOM 827 C THR A 49 4.499 25.677 -3.910 1.00 0.00 C ATOM 828 O THR A 49 3.789 26.663 -4.116 1.00 0.00 O ATOM 829 CB THR A 49 6.353 25.281 -5.532 1.00 0.00 C ATOM 830 OG1 THR A 49 7.753 25.451 -5.779 1.00 0.00 O ATOM 831 CG2 THR A 49 5.552 26.061 -6.564 1.00 0.00 C ATOM 0 H THR A 49 7.161 24.115 -3.470 1.00 0.00 H new ATOM 0 HA THR A 49 6.342 26.777 -3.977 1.00 0.00 H new ATOM 0 HB THR A 49 6.095 24.225 -5.618 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.241 24.670 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.812 25.714 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.487 25.905 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.782 27.123 -6.477 1.00 0.00 H new ATOM 839 N LEU A 50 4.012 24.507 -3.512 1.00 0.00 N ATOM 840 CA LEU A 50 2.584 24.308 -3.288 1.00 0.00 C ATOM 841 C LEU A 50 2.123 25.040 -2.032 1.00 0.00 C ATOM 842 O LEU A 50 1.080 25.694 -2.029 1.00 0.00 O ATOM 843 CB LEU A 50 2.270 22.816 -3.167 1.00 0.00 C ATOM 844 CG LEU A 50 2.076 22.061 -4.483 1.00 0.00 C ATOM 845 CD1 LEU A 50 2.549 20.622 -4.348 1.00 0.00 C ATOM 846 CD2 LEU A 50 0.618 22.108 -4.915 1.00 0.00 C ATOM 0 H LEU A 50 4.585 23.681 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 50 2.046 24.718 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.079 22.339 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.365 22.703 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 50 2.677 22.548 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.403 20.101 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.607 20.610 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.976 20.123 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.499 21.566 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.004 21.647 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.313 23.145 -5.054 1.00 0.00 H new ATOM 858 N LYS A 51 2.908 24.927 -0.966 1.00 0.00 N ATOM 859 CA LYS A 51 2.583 25.580 0.296 1.00 0.00 C ATOM 860 C LYS A 51 2.703 27.096 0.171 1.00 0.00 C ATOM 861 O LYS A 51 1.884 27.839 0.711 1.00 0.00 O ATOM 862 CB LYS A 51 3.506 25.075 1.408 1.00 0.00 C ATOM 863 CG LYS A 51 3.279 25.759 2.745 1.00 0.00 C ATOM 864 CD LYS A 51 4.441 26.666 3.112 1.00 0.00 C ATOM 865 CE LYS A 51 5.457 25.946 3.985 1.00 0.00 C ATOM 866 NZ LYS A 51 5.497 26.503 5.365 1.00 0.00 N ATOM 0 H LYS A 51 3.774 24.389 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 51 1.552 25.334 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.361 24.002 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.542 25.224 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.359 26.343 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.145 25.006 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.927 27.021 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.066 27.544 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.211 24.885 4.029 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.445 26.026 3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.202 25.985 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.757 27.509 5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.561 26.404 5.807 1.00 0.00 H new ATOM 880 N ARG A 52 3.728 27.546 -0.545 1.00 0.00 N ATOM 881 CA ARG A 52 3.954 28.973 -0.741 1.00 0.00 C ATOM 882 C ARG A 52 2.846 29.588 -1.590 1.00 0.00 C ATOM 883 O ARG A 52 2.237 30.588 -1.208 1.00 0.00 O ATOM 884 CB ARG A 52 5.311 29.210 -1.406 1.00 0.00 C ATOM 885 CG ARG A 52 6.467 29.289 -0.421 1.00 0.00 C ATOM 886 CD ARG A 52 7.105 30.669 -0.422 1.00 0.00 C ATOM 887 NE ARG A 52 6.111 31.732 -0.303 1.00 0.00 N ATOM 888 CZ ARG A 52 5.465 32.011 0.823 1.00 0.00 C ATOM 889 NH1 ARG A 52 5.707 31.310 1.922 1.00 0.00 N ATOM 890 NH2 ARG A 52 4.574 32.995 0.852 1.00 0.00 N ATOM 0 H ARG A 52 4.415 26.944 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 52 3.947 29.453 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.504 28.405 -2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.269 30.137 -1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.109 29.053 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.216 28.540 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.813 30.741 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.673 30.805 -1.342 1.00 0.00 H new ATOM 0 HE ARG A 52 5.901 32.291 -1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.391 30.554 1.904 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.209 31.527 2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.385 33.537 0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.078 33.209 1.717 1.00 0.00 H new ATOM 904 N THR A 53 2.588 28.983 -2.746 1.00 0.00 N ATOM 905 CA THR A 53 1.555 29.471 -3.650 1.00 0.00 C ATOM 906 C THR A 53 0.174 29.375 -3.011 1.00 0.00 C ATOM 907 O THR A 53 -0.567 30.357 -2.957 1.00 0.00 O ATOM 908 CB THR A 53 1.550 28.684 -4.975 1.00 0.00 C ATOM 909 OG1 THR A 53 1.347 27.291 -4.716 1.00 0.00 O ATOM 910 CG2 THR A 53 2.859 28.880 -5.725 1.00 0.00 C ATOM 0 H THR A 53 3.081 28.154 -3.078 1.00 0.00 H new ATOM 0 HA THR A 53 1.785 30.516 -3.857 1.00 0.00 H new ATOM 0 HB THR A 53 0.735 29.061 -5.593 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.215 26.840 -4.655 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.832 28.315 -6.657 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.997 29.938 -5.946 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.687 28.527 -5.110 1.00 0.00 H new