USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=7 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 K(o=0,f=-1.2) 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=-1.2) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= -0.0671 (180deg=-0.492) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 5.870 1.672 0.613 1.00 0.00 N ATOM 20 CA MET A 3 6.017 2.113 1.995 1.00 0.00 C ATOM 21 C MET A 3 7.348 2.831 2.198 1.00 0.00 C ATOM 22 O MET A 3 7.411 3.861 2.868 1.00 0.00 O ATOM 23 CB MET A 3 5.917 0.920 2.948 1.00 0.00 C ATOM 24 CG MET A 3 5.329 1.273 4.304 1.00 0.00 C ATOM 25 SD MET A 3 6.565 1.274 5.617 1.00 0.00 S ATOM 26 CE MET A 3 6.634 -0.470 6.019 1.00 0.00 C ATOM 0 HA MET A 3 5.210 2.812 2.214 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.304 0.146 2.486 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.911 0.496 3.091 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.862 2.257 4.249 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.542 0.560 4.551 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.358 -0.631 6.818 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.651 -0.807 6.347 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.936 -1.035 5.137 1.00 0.00 H new ATOM 36 N GLU A 4 8.408 2.279 1.616 1.00 0.00 N ATOM 37 CA GLU A 4 9.736 2.867 1.735 1.00 0.00 C ATOM 38 C GLU A 4 9.719 4.338 1.329 1.00 0.00 C ATOM 39 O GLU A 4 10.191 5.203 2.068 1.00 0.00 O ATOM 40 CB GLU A 4 10.738 2.100 0.869 1.00 0.00 C ATOM 41 CG GLU A 4 12.161 2.619 0.980 1.00 0.00 C ATOM 42 CD GLU A 4 13.079 1.652 1.703 1.00 0.00 C ATOM 43 OE1 GLU A 4 13.596 0.723 1.048 1.00 0.00 O ATOM 44 OE2 GLU A 4 13.281 1.824 2.923 1.00 0.00 O ATOM 0 H GLU A 4 8.372 1.426 1.058 1.00 0.00 H new ATOM 0 HA GLU A 4 10.042 2.799 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.721 1.048 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.421 2.154 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.554 2.809 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.156 3.573 1.507 1.00 0.00 H new ATOM 51 N ARG A 5 9.171 4.614 0.150 1.00 0.00 N ATOM 52 CA ARG A 5 9.093 5.980 -0.355 1.00 0.00 C ATOM 53 C ARG A 5 8.190 6.836 0.529 1.00 0.00 C ATOM 54 O ARG A 5 8.423 8.033 0.697 1.00 0.00 O ATOM 55 CB ARG A 5 8.571 5.985 -1.793 1.00 0.00 C ATOM 56 CG ARG A 5 9.436 5.191 -2.758 1.00 0.00 C ATOM 57 CD ARG A 5 10.529 6.055 -3.366 1.00 0.00 C ATOM 58 NE ARG A 5 11.837 5.409 -3.303 1.00 0.00 N ATOM 59 CZ ARG A 5 12.985 6.056 -3.466 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.987 7.361 -3.701 1.00 0.00 N ATOM 61 NH2 ARG A 5 14.135 5.398 -3.394 1.00 0.00 N ATOM 0 H ARG A 5 8.775 3.910 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 5 10.097 6.405 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.560 5.577 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.503 7.015 -2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.886 4.347 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.813 4.778 -3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.282 6.273 -4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.571 7.009 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 5 11.871 4.405 -3.124 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.105 7.870 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.870 7.855 -3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.138 4.394 -3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.016 5.896 -3.519 1.00 0.00 H new ATOM 75 N LEU A 6 7.159 6.214 1.091 1.00 0.00 N ATOM 76 CA LEU A 6 6.221 6.918 1.957 1.00 0.00 C ATOM 77 C LEU A 6 6.924 7.452 3.201 1.00 0.00 C ATOM 78 O LEU A 6 6.962 8.661 3.433 1.00 0.00 O ATOM 79 CB LEU A 6 5.076 5.989 2.364 1.00 0.00 C ATOM 80 CG LEU A 6 3.710 6.650 2.556 1.00 0.00 C ATOM 81 CD1 LEU A 6 2.598 5.724 2.088 1.00 0.00 C ATOM 82 CD2 LEU A 6 3.506 7.039 4.013 1.00 0.00 C ATOM 0 H LEU A 6 6.952 5.224 0.962 1.00 0.00 H new ATOM 0 HA LEU A 6 5.815 7.763 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.978 5.212 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.351 5.493 3.295 1.00 0.00 H new ATOM 0 HG LEU A 6 3.678 7.556 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.634 6.211 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.735 5.496 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.627 4.800 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.529 7.508 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.559 6.148 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.284 7.740 4.315 1.00 0.00 H new ATOM 94 N ARG A 7 7.480 6.544 3.996 1.00 0.00 N ATOM 95 CA ARG A 7 8.182 6.924 5.216 1.00 0.00 C ATOM 96 C ARG A 7 9.395 7.793 4.896 1.00 0.00 C ATOM 97 O ARG A 7 9.742 8.697 5.657 1.00 0.00 O ATOM 98 CB ARG A 7 8.623 5.678 5.985 1.00 0.00 C ATOM 99 CG ARG A 7 9.160 5.978 7.375 1.00 0.00 C ATOM 100 CD ARG A 7 10.634 5.621 7.492 1.00 0.00 C ATOM 101 NE ARG A 7 10.830 4.262 7.988 1.00 0.00 N ATOM 102 CZ ARG A 7 10.735 3.927 9.270 1.00 0.00 C ATOM 103 NH1 ARG A 7 10.449 4.848 10.180 1.00 0.00 N ATOM 104 NH2 ARG A 7 10.927 2.668 9.645 1.00 0.00 N ATOM 0 H ARG A 7 7.458 5.540 3.817 1.00 0.00 H new ATOM 0 HA ARG A 7 7.496 7.501 5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.777 4.996 6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.392 5.161 5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.022 7.036 7.599 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.589 5.418 8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.110 5.723 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.126 6.326 8.162 1.00 0.00 H new ATOM 0 HE ARG A 7 11.052 3.530 7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.301 5.817 9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.377 4.588 11.164 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.148 1.956 8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 7 10.854 2.412 10.630 1.00 0.00 H new ATOM 118 N ASP A 8 10.036 7.514 3.766 1.00 0.00 N ATOM 119 CA ASP A 8 11.209 8.270 3.346 1.00 0.00 C ATOM 120 C ASP A 8 10.838 9.713 3.021 1.00 0.00 C ATOM 121 O ASP A 8 11.375 10.651 3.611 1.00 0.00 O ATOM 122 CB ASP A 8 11.857 7.611 2.127 1.00 0.00 C ATOM 123 CG ASP A 8 12.918 8.487 1.490 1.00 0.00 C ATOM 124 OD1 ASP A 8 13.546 9.282 2.220 1.00 0.00 O ATOM 125 OD2 ASP A 8 13.119 8.378 0.262 1.00 0.00 O ATOM 0 H ASP A 8 9.762 6.769 3.125 1.00 0.00 H new ATOM 0 HA ASP A 8 11.922 8.274 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.304 6.663 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.088 7.383 1.389 1.00 0.00 H new ATOM 130 N VAL A 9 9.916 9.885 2.079 1.00 0.00 N ATOM 131 CA VAL A 9 9.473 11.214 1.676 1.00 0.00 C ATOM 132 C VAL A 9 8.795 11.941 2.831 1.00 0.00 C ATOM 133 O VAL A 9 9.081 13.109 3.097 1.00 0.00 O ATOM 134 CB VAL A 9 8.498 11.143 0.485 1.00 0.00 C ATOM 135 CG1 VAL A 9 8.013 12.535 0.109 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.158 10.460 -0.703 1.00 0.00 C ATOM 0 H VAL A 9 9.461 9.120 1.581 1.00 0.00 H new ATOM 0 HA VAL A 9 10.363 11.767 1.375 1.00 0.00 H new ATOM 0 HB VAL A 9 7.632 10.550 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.325 12.465 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.500 12.984 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.866 13.155 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.455 10.418 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.042 11.024 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.451 9.448 -0.424 1.00 0.00 H new ATOM 146 N ARG A 10 7.895 11.243 3.516 1.00 0.00 N ATOM 147 CA ARG A 10 7.176 11.822 4.644 1.00 0.00 C ATOM 148 C ARG A 10 8.147 12.346 5.698 1.00 0.00 C ATOM 149 O ARG A 10 8.051 13.495 6.127 1.00 0.00 O ATOM 150 CB ARG A 10 6.241 10.784 5.267 1.00 0.00 C ATOM 151 CG ARG A 10 5.517 11.283 6.508 1.00 0.00 C ATOM 152 CD ARG A 10 4.563 10.234 7.056 1.00 0.00 C ATOM 153 NE ARG A 10 4.847 9.912 8.452 1.00 0.00 N ATOM 154 CZ ARG A 10 4.120 9.066 9.173 1.00 0.00 C ATOM 155 NH1 ARG A 10 3.072 8.459 8.633 1.00 0.00 N ATOM 156 NH2 ARG A 10 4.442 8.825 10.438 1.00 0.00 N ATOM 0 H ARG A 10 7.647 10.276 3.309 1.00 0.00 H new ATOM 0 HA ARG A 10 6.584 12.659 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.504 10.479 4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.818 9.896 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.246 11.549 7.274 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.963 12.190 6.267 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.538 10.595 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.635 9.329 6.453 1.00 0.00 H new ATOM 0 HE ARG A 10 5.647 10.361 8.897 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.822 8.641 7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.516 7.810 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.248 9.290 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.884 8.175 10.992 1.00 0.00 H new ATOM 170 N GLU A 11 9.081 11.494 6.110 1.00 0.00 N ATOM 171 CA GLU A 11 10.068 11.872 7.115 1.00 0.00 C ATOM 172 C GLU A 11 10.986 12.971 6.589 1.00 0.00 C ATOM 173 O GLU A 11 11.300 13.925 7.301 1.00 0.00 O ATOM 174 CB GLU A 11 10.897 10.654 7.529 1.00 0.00 C ATOM 175 CG GLU A 11 11.709 10.873 8.795 1.00 0.00 C ATOM 176 CD GLU A 11 12.590 9.687 9.135 1.00 0.00 C ATOM 177 OE1 GLU A 11 12.893 8.891 8.222 1.00 0.00 O ATOM 178 OE2 GLU A 11 12.977 9.556 10.315 1.00 0.00 O ATOM 0 H GLU A 11 9.175 10.539 5.764 1.00 0.00 H new ATOM 0 HA GLU A 11 9.535 12.254 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.230 9.804 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.572 10.391 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.331 11.760 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.032 11.069 9.627 1.00 0.00 H new ATOM 185 N ARG A 12 11.414 12.829 5.339 1.00 0.00 N ATOM 186 CA ARG A 12 12.298 13.808 4.718 1.00 0.00 C ATOM 187 C ARG A 12 11.645 15.187 4.686 1.00 0.00 C ATOM 188 O ARG A 12 12.276 16.192 5.016 1.00 0.00 O ATOM 189 CB ARG A 12 12.661 13.371 3.297 1.00 0.00 C ATOM 190 CG ARG A 12 13.870 12.454 3.233 1.00 0.00 C ATOM 191 CD ARG A 12 14.314 12.217 1.797 1.00 0.00 C ATOM 192 NE ARG A 12 15.709 11.793 1.718 1.00 0.00 N ATOM 193 CZ ARG A 12 16.380 11.681 0.577 1.00 0.00 C ATOM 194 NH1 ARG A 12 15.785 11.959 -0.575 1.00 0.00 N ATOM 195 NH2 ARG A 12 17.647 11.289 0.587 1.00 0.00 N ATOM 0 H ARG A 12 11.163 12.045 4.736 1.00 0.00 H new ATOM 0 HA ARG A 12 13.208 13.869 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.806 12.862 2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.855 14.257 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.691 12.892 3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.630 11.500 3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.678 11.458 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.180 13.132 1.221 1.00 0.00 H new ATOM 0 HE ARG A 12 16.195 11.571 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.810 12.259 -0.586 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.302 11.872 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.107 11.073 1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.161 11.203 -0.290 1.00 0.00 H new ATOM 209 N LEU A 13 10.378 15.227 4.287 1.00 0.00 N ATOM 210 CA LEU A 13 9.639 16.482 4.212 1.00 0.00 C ATOM 211 C LEU A 13 9.466 17.096 5.598 1.00 0.00 C ATOM 212 O LEU A 13 9.763 18.272 5.807 1.00 0.00 O ATOM 213 CB LEU A 13 8.270 16.253 3.569 1.00 0.00 C ATOM 214 CG LEU A 13 7.884 17.222 2.451 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.559 16.814 1.825 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.808 18.646 2.982 1.00 0.00 C ATOM 0 H LEU A 13 9.842 14.405 4.011 1.00 0.00 H new ATOM 0 HA LEU A 13 10.211 17.176 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.243 15.239 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.511 16.308 4.349 1.00 0.00 H new ATOM 0 HG LEU A 13 8.654 17.183 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.300 17.515 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.647 15.811 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.779 16.824 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.532 19.322 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.059 18.700 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.779 18.937 3.383 1.00 0.00 H new ATOM 228 N GLN A 14 8.985 16.291 6.540 1.00 0.00 N ATOM 229 CA GLN A 14 8.774 16.756 7.906 1.00 0.00 C ATOM 230 C GLN A 14 10.033 17.419 8.456 1.00 0.00 C ATOM 231 O GLN A 14 10.038 18.613 8.753 1.00 0.00 O ATOM 232 CB GLN A 14 8.363 15.589 8.806 1.00 0.00 C ATOM 233 CG GLN A 14 7.019 14.981 8.439 1.00 0.00 C ATOM 234 CD GLN A 14 5.920 15.367 9.408 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.731 16.545 9.714 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.186 14.375 9.897 1.00 0.00 N ATOM 0 H GLN A 14 8.734 15.315 6.383 1.00 0.00 H new ATOM 0 HA GLN A 14 7.973 17.495 7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.129 14.815 8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.326 15.934 9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.742 15.301 7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.111 13.895 8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.377 13.413 9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.431 14.575 10.553 1.00 0.00 H new ATOM 245 N ALA A 15 11.098 16.636 8.589 1.00 0.00 N ATOM 246 CA ALA A 15 12.363 17.147 9.102 1.00 0.00 C ATOM 247 C ALA A 15 12.839 18.347 8.290 1.00 0.00 C ATOM 248 O ALA A 15 13.321 19.333 8.848 1.00 0.00 O ATOM 249 CB ALA A 15 13.418 16.051 9.095 1.00 0.00 C ATOM 0 H ALA A 15 11.110 15.645 8.348 1.00 0.00 H new ATOM 0 HA ALA A 15 12.204 17.475 10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.357 16.448 9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.088 15.224 9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.566 15.695 8.075 1.00 0.00 H new ATOM 255 N TRP A 16 12.701 18.256 6.973 1.00 0.00 N ATOM 256 CA TRP A 16 13.118 19.335 6.084 1.00 0.00 C ATOM 257 C TRP A 16 12.521 20.667 6.527 1.00 0.00 C ATOM 258 O TRP A 16 13.214 21.506 7.102 1.00 0.00 O ATOM 259 CB TRP A 16 12.701 19.029 4.645 1.00 0.00 C ATOM 260 CG TRP A 16 12.849 20.200 3.721 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.880 20.748 2.931 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.038 20.965 3.492 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.394 21.808 2.223 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.716 21.962 2.550 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.341 20.907 3.992 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.651 22.890 2.100 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.268 21.828 3.543 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.920 22.809 2.606 1.00 0.00 C ATOM 0 H TRP A 16 12.304 17.447 6.496 1.00 0.00 H new ATOM 0 HA TRP A 16 14.204 19.411 6.131 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.301 18.201 4.269 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.662 18.699 4.638 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.859 20.400 2.871 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.876 22.386 1.562 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.619 20.156 4.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.384 23.647 1.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.279 21.791 3.921 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.668 23.515 2.276 1.00 0.00 H new ATOM 279 N GLU A 17 11.233 20.853 6.256 1.00 0.00 N ATOM 280 CA GLU A 17 10.545 22.083 6.627 1.00 0.00 C ATOM 281 C GLU A 17 10.777 22.414 8.098 1.00 0.00 C ATOM 282 O GLU A 17 10.841 23.583 8.480 1.00 0.00 O ATOM 283 CB GLU A 17 9.045 21.958 6.351 1.00 0.00 C ATOM 284 CG GLU A 17 8.350 20.926 7.223 1.00 0.00 C ATOM 285 CD GLU A 17 6.845 20.926 7.039 1.00 0.00 C ATOM 286 OE1 GLU A 17 6.220 21.984 7.261 1.00 0.00 O ATOM 287 OE2 GLU A 17 6.292 19.867 6.674 1.00 0.00 O ATOM 0 H GLU A 17 10.646 20.168 5.781 1.00 0.00 H new ATOM 0 HA GLU A 17 10.952 22.893 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.574 22.929 6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.897 21.695 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.741 19.936 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.584 21.123 8.269 1.00 0.00 H new ATOM 294 N ARG A 18 10.902 21.377 8.919 1.00 0.00 N ATOM 295 CA ARG A 18 11.125 21.556 10.349 1.00 0.00 C ATOM 296 C ARG A 18 12.336 22.449 10.602 1.00 0.00 C ATOM 297 O ARG A 18 12.194 23.616 10.968 1.00 0.00 O ATOM 298 CB ARG A 18 11.325 20.201 11.030 1.00 0.00 C ATOM 299 CG ARG A 18 10.118 19.736 11.828 1.00 0.00 C ATOM 300 CD ARG A 18 9.841 20.658 13.006 1.00 0.00 C ATOM 301 NE ARG A 18 8.436 21.050 13.075 1.00 0.00 N ATOM 302 CZ ARG A 18 7.856 21.512 14.177 1.00 0.00 C ATOM 303 NH1 ARG A 18 8.555 21.638 15.296 1.00 0.00 N ATOM 304 NH2 ARG A 18 6.572 21.848 14.161 1.00 0.00 N ATOM 0 H ARG A 18 10.853 20.403 8.619 1.00 0.00 H new ATOM 0 HA ARG A 18 10.244 22.039 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.558 19.454 10.272 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.187 20.261 11.694 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.243 19.700 11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.288 18.722 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.124 20.158 13.932 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.463 21.550 12.923 1.00 0.00 H new ATOM 0 HE ARG A 18 7.869 20.964 12.231 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.542 21.380 15.313 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.106 21.993 16.140 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.030 21.751 13.302 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.127 22.203 15.008 1.00 0.00 H new ATOM 318 N ALA A 19 13.526 21.892 10.407 1.00 0.00 N ATOM 319 CA ALA A 19 14.762 22.637 10.613 1.00 0.00 C ATOM 320 C ALA A 19 14.882 23.786 9.618 1.00 0.00 C ATOM 321 O ALA A 19 15.415 24.848 9.941 1.00 0.00 O ATOM 322 CB ALA A 19 15.963 21.710 10.500 1.00 0.00 C ATOM 0 H ALA A 19 13.661 20.927 10.106 1.00 0.00 H new ATOM 0 HA ALA A 19 14.739 23.061 11.617 1.00 0.00 H new ATOM 0 HB1 ALA A 19 16.879 22.280 10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.890 20.927 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 19 15.982 21.258 9.508 1.00 0.00 H new ATOM 328 N PHE A 20 14.385 23.567 8.405 1.00 0.00 N ATOM 329 CA PHE A 20 14.439 24.584 7.361 1.00 0.00 C ATOM 330 C PHE A 20 13.915 25.921 7.877 1.00 0.00 C ATOM 331 O PHE A 20 14.665 26.890 7.994 1.00 0.00 O ATOM 332 CB PHE A 20 13.624 24.140 6.144 1.00 0.00 C ATOM 333 CG PHE A 20 13.268 25.266 5.217 1.00 0.00 C ATOM 334 CD1 PHE A 20 14.209 25.785 4.342 1.00 0.00 C ATOM 335 CD2 PHE A 20 11.993 25.808 5.222 1.00 0.00 C ATOM 336 CE1 PHE A 20 13.885 26.822 3.488 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.662 26.844 4.369 1.00 0.00 C ATOM 338 CZ PHE A 20 12.610 27.353 3.502 1.00 0.00 C ATOM 0 H PHE A 20 13.940 22.694 8.121 1.00 0.00 H new ATOM 0 HA PHE A 20 15.481 24.711 7.066 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.191 23.391 5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.708 23.659 6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.208 25.374 4.327 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.249 25.417 5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.628 27.217 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.663 27.255 4.380 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.354 28.164 2.837 1.00 0.00 H new ATOM 348 N ARG A 21 12.622 25.965 8.184 1.00 0.00 N ATOM 349 CA ARG A 21 11.997 27.182 8.686 1.00 0.00 C ATOM 350 C ARG A 21 12.573 27.569 10.045 1.00 0.00 C ATOM 351 O ARG A 21 12.370 28.686 10.521 1.00 0.00 O ATOM 352 CB ARG A 21 10.483 26.995 8.796 1.00 0.00 C ATOM 353 CG ARG A 21 9.772 28.161 9.464 1.00 0.00 C ATOM 354 CD ARG A 21 8.435 28.452 8.801 1.00 0.00 C ATOM 355 NE ARG A 21 8.027 29.843 8.979 1.00 0.00 N ATOM 356 CZ ARG A 21 7.598 30.341 10.133 1.00 0.00 C ATOM 357 NH1 ARG A 21 7.521 29.566 11.206 1.00 0.00 N ATOM 358 NH2 ARG A 21 7.244 31.617 10.216 1.00 0.00 N ATOM 0 H ARG A 21 11.988 25.171 8.094 1.00 0.00 H new ATOM 0 HA ARG A 21 12.207 27.986 7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.070 26.852 7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.278 26.085 9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.615 27.937 10.519 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.403 29.048 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.502 28.227 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.673 27.794 9.218 1.00 0.00 H new ATOM 0 HE ARG A 21 8.074 30.466 8.173 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.792 28.584 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.191 29.951 12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.301 32.217 9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.915 31.998 11.103 1.00 0.00 H new ATOM 372 N ARG A 22 13.291 26.638 10.664 1.00 0.00 N ATOM 373 CA ARG A 22 13.894 26.880 11.969 1.00 0.00 C ATOM 374 C ARG A 22 15.122 27.776 11.842 1.00 0.00 C ATOM 375 O ARG A 22 15.331 28.677 12.654 1.00 0.00 O ATOM 376 CB ARG A 22 14.281 25.556 12.630 1.00 0.00 C ATOM 377 CG ARG A 22 13.842 25.448 14.081 1.00 0.00 C ATOM 378 CD ARG A 22 14.850 26.094 15.018 1.00 0.00 C ATOM 379 NE ARG A 22 15.044 25.314 16.237 1.00 0.00 N ATOM 380 CZ ARG A 22 15.710 25.759 17.296 1.00 0.00 C ATOM 381 NH1 ARG A 22 16.243 26.973 17.287 1.00 0.00 N ATOM 382 NH2 ARG A 22 15.843 24.989 18.369 1.00 0.00 N ATOM 0 H ARG A 22 13.469 25.709 10.283 1.00 0.00 H new ATOM 0 HA ARG A 22 13.158 27.387 12.593 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.841 24.735 12.064 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.363 25.436 12.577 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.870 25.926 14.205 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.717 24.398 14.347 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.804 26.205 14.503 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.511 27.096 15.279 1.00 0.00 H new ATOM 0 HE ARG A 22 14.646 24.376 16.277 1.00 0.00 H new ATOM 0 HH11 ARG A 22 16.142 27.568 16.465 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.754 27.312 18.102 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.433 24.055 18.380 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.355 25.331 19.182 1.00 0.00 H new ATOM 396 N GLN A 23 15.931 27.521 10.819 1.00 0.00 N ATOM 397 CA GLN A 23 17.139 28.304 10.587 1.00 0.00 C ATOM 398 C GLN A 23 16.884 29.411 9.570 1.00 0.00 C ATOM 399 O GLN A 23 17.314 30.550 9.756 1.00 0.00 O ATOM 400 CB GLN A 23 18.273 27.400 10.100 1.00 0.00 C ATOM 401 CG GLN A 23 17.951 26.661 8.811 1.00 0.00 C ATOM 402 CD GLN A 23 19.007 25.637 8.446 1.00 0.00 C ATOM 403 OE1 GLN A 23 19.894 25.332 9.244 1.00 0.00 O ATOM 404 NE2 GLN A 23 18.917 25.099 7.235 1.00 0.00 N ATOM 0 H GLN A 23 15.772 26.779 10.138 1.00 0.00 H new ATOM 0 HA GLN A 23 17.430 28.763 11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.168 28.003 9.949 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.506 26.673 10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.987 26.162 8.914 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.853 27.381 7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.165 25.381 6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.600 24.403 6.934 1.00 0.00 H new ATOM 413 N ARG A 24 16.181 29.070 8.495 1.00 0.00 N ATOM 414 CA ARG A 24 15.870 30.035 7.447 1.00 0.00 C ATOM 415 C ARG A 24 14.731 30.955 7.877 1.00 0.00 C ATOM 416 O ARG A 24 14.839 32.177 7.786 1.00 0.00 O ATOM 417 CB ARG A 24 15.494 29.311 6.153 1.00 0.00 C ATOM 418 CG ARG A 24 16.693 28.799 5.371 1.00 0.00 C ATOM 419 CD ARG A 24 17.537 29.943 4.833 1.00 0.00 C ATOM 420 NE ARG A 24 18.750 30.146 5.622 1.00 0.00 N ATOM 421 CZ ARG A 24 19.793 29.325 5.590 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.773 28.252 4.812 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.861 29.578 6.336 1.00 0.00 N ATOM 0 H ARG A 24 15.816 28.133 8.327 1.00 0.00 H new ATOM 0 HA ARG A 24 16.758 30.642 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.842 28.471 6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.921 29.989 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.304 28.165 6.014 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.351 28.178 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.808 29.738 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 24 16.947 30.860 4.832 1.00 0.00 H new ATOM 0 HE ARG A 24 18.798 30.963 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.955 28.055 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.576 27.623 4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.881 30.404 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.662 28.947 6.311 1.00 0.00 H new ATOM 437 N GLY A 25 13.639 30.358 8.345 1.00 0.00 N ATOM 438 CA GLY A 25 12.496 31.139 8.781 1.00 0.00 C ATOM 439 C GLY A 25 11.853 31.910 7.645 1.00 0.00 C ATOM 440 O GLY A 25 11.271 32.973 7.859 1.00 0.00 O ATOM 0 H GLY A 25 13.526 29.348 8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.757 30.476 9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.811 31.837 9.557 1.00 0.00 H new ATOM 444 N ARG A 26 11.960 31.374 6.434 1.00 0.00 N ATOM 445 CA ARG A 26 11.386 32.020 5.259 1.00 0.00 C ATOM 446 C ARG A 26 11.714 31.235 3.992 1.00 0.00 C ATOM 447 O ARG A 26 12.300 30.154 4.054 1.00 0.00 O ATOM 448 CB ARG A 26 11.907 33.453 5.134 1.00 0.00 C ATOM 449 CG ARG A 26 13.402 33.580 5.373 1.00 0.00 C ATOM 450 CD ARG A 26 14.034 34.592 4.430 1.00 0.00 C ATOM 451 NE ARG A 26 15.466 34.364 4.261 1.00 0.00 N ATOM 452 CZ ARG A 26 16.371 34.661 5.187 1.00 0.00 C ATOM 453 NH1 ARG A 26 15.994 35.194 6.341 1.00 0.00 N ATOM 454 NH2 ARG A 26 17.657 34.423 4.960 1.00 0.00 N ATOM 0 H ARG A 26 12.439 30.494 6.240 1.00 0.00 H new ATOM 0 HA ARG A 26 10.303 32.044 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.673 33.830 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.379 34.086 5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 26 13.582 33.881 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.877 32.608 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.542 34.539 3.459 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.870 35.598 4.816 1.00 0.00 H new ATOM 0 HE ARG A 26 15.789 33.954 3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.007 35.377 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.691 35.421 7.050 1.00 0.00 H new ATOM 0 HH21 ARG A 26 17.951 34.012 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 26 18.351 34.651 5.672 1.00 0.00 H new ATOM 468 N ARG A 27 11.333 31.787 2.845 1.00 0.00 N ATOM 469 CA ARG A 27 11.585 31.138 1.564 1.00 0.00 C ATOM 470 C ARG A 27 13.034 30.671 1.467 1.00 0.00 C ATOM 471 O ARG A 27 13.957 31.326 1.953 1.00 0.00 O ATOM 472 CB ARG A 27 11.267 32.094 0.413 1.00 0.00 C ATOM 473 CG ARG A 27 10.293 31.521 -0.603 1.00 0.00 C ATOM 474 CD ARG A 27 10.965 31.281 -1.946 1.00 0.00 C ATOM 475 NE ARG A 27 11.058 32.504 -2.738 1.00 0.00 N ATOM 476 CZ ARG A 27 11.750 32.597 -3.868 1.00 0.00 C ATOM 477 NH1 ARG A 27 12.406 31.544 -4.336 1.00 0.00 N ATOM 478 NH2 ARG A 27 11.788 33.745 -4.532 1.00 0.00 N ATOM 0 H ARG A 27 10.849 32.682 2.776 1.00 0.00 H new ATOM 0 HA ARG A 27 10.935 30.266 1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.852 33.016 0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.194 32.359 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.883 30.583 -0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.455 32.206 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.964 30.877 -1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.404 30.530 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 27 10.565 33.332 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.380 30.660 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.937 31.618 -5.204 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.285 34.558 -4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.320 33.815 -5.400 1.00 0.00 H new ATOM 492 N PRO A 28 13.241 29.512 0.824 1.00 0.00 N ATOM 493 CA PRO A 28 14.576 28.932 0.648 1.00 0.00 C ATOM 494 C PRO A 28 15.434 29.736 -0.322 1.00 0.00 C ATOM 495 O PRO A 28 14.934 30.611 -1.030 1.00 0.00 O ATOM 496 CB PRO A 28 14.286 27.541 0.079 1.00 0.00 C ATOM 497 CG PRO A 28 12.961 27.674 -0.589 1.00 0.00 C ATOM 498 CD PRO A 28 12.188 28.679 0.220 1.00 0.00 C ATOM 0 HA PRO A 28 15.140 28.917 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.057 27.234 -0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.258 26.789 0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 28 13.076 28.008 -1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 28 12.442 26.716 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.518 29.269 -0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 28 11.573 28.196 0.979 1.00 0.00 H new ATOM 506 N SER A 29 16.728 29.435 -0.351 1.00 0.00 N ATOM 507 CA SER A 29 17.657 30.132 -1.233 1.00 0.00 C ATOM 508 C SER A 29 18.332 29.157 -2.192 1.00 0.00 C ATOM 509 O SER A 29 18.377 27.953 -1.940 1.00 0.00 O ATOM 510 CB SER A 29 18.715 30.872 -0.412 1.00 0.00 C ATOM 511 OG SER A 29 18.450 32.263 -0.373 1.00 0.00 O ATOM 0 H SER A 29 17.157 28.712 0.227 1.00 0.00 H new ATOM 0 HA SER A 29 17.089 30.855 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.736 30.474 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.701 30.699 -0.843 1.00 0.00 H new ATOM 0 HG SER A 29 19.139 32.713 0.159 1.00 0.00 H new ATOM 517 N GLN A 30 18.854 29.686 -3.293 1.00 0.00 N ATOM 518 CA GLN A 30 19.526 28.863 -4.292 1.00 0.00 C ATOM 519 C GLN A 30 20.689 28.095 -3.672 1.00 0.00 C ATOM 520 O GLN A 30 21.140 27.087 -4.214 1.00 0.00 O ATOM 521 CB GLN A 30 20.030 29.732 -5.445 1.00 0.00 C ATOM 522 CG GLN A 30 18.927 30.497 -6.157 1.00 0.00 C ATOM 523 CD GLN A 30 18.810 31.932 -5.680 1.00 0.00 C ATOM 524 OE1 GLN A 30 18.016 32.240 -4.791 1.00 0.00 O ATOM 525 NE2 GLN A 30 19.603 32.818 -6.271 1.00 0.00 N ATOM 0 H GLN A 30 18.825 30.681 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 30 18.804 28.143 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.763 30.441 -5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 30 20.546 29.099 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.119 30.489 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.977 29.987 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.246 32.518 -7.004 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.569 33.799 -5.992 1.00 0.00 H new ATOM 534 N ASP A 31 21.171 28.580 -2.532 1.00 0.00 N ATOM 535 CA ASP A 31 22.281 27.940 -1.837 1.00 0.00 C ATOM 536 C ASP A 31 21.839 26.625 -1.203 1.00 0.00 C ATOM 537 O ASP A 31 22.505 25.599 -1.348 1.00 0.00 O ATOM 538 CB ASP A 31 22.846 28.873 -0.765 1.00 0.00 C ATOM 539 CG ASP A 31 24.203 29.434 -1.143 1.00 0.00 C ATOM 540 OD1 ASP A 31 24.258 30.300 -2.041 1.00 0.00 O ATOM 541 OD2 ASP A 31 25.211 29.006 -0.541 1.00 0.00 O ATOM 0 H ASP A 31 20.810 29.415 -2.070 1.00 0.00 H new ATOM 0 HA ASP A 31 23.060 27.726 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 31 22.150 29.695 -0.599 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.930 28.331 0.177 1.00 0.00 H new ATOM 546 N ASP A 32 20.714 26.663 -0.499 1.00 0.00 N ATOM 547 CA ASP A 32 20.182 25.474 0.158 1.00 0.00 C ATOM 548 C ASP A 32 19.402 24.611 -0.828 1.00 0.00 C ATOM 549 O ASP A 32 19.354 23.388 -0.696 1.00 0.00 O ATOM 550 CB ASP A 32 19.283 25.872 1.330 1.00 0.00 C ATOM 551 CG ASP A 32 19.745 25.273 2.644 1.00 0.00 C ATOM 552 OD1 ASP A 32 19.311 24.147 2.968 1.00 0.00 O ATOM 553 OD2 ASP A 32 20.541 25.929 3.347 1.00 0.00 O ATOM 0 H ASP A 32 20.152 27.504 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 32 21.022 24.892 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.263 26.958 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.262 25.550 1.126 1.00 0.00 H new ATOM 558 N VAL A 33 18.791 25.256 -1.817 1.00 0.00 N ATOM 559 CA VAL A 33 18.013 24.548 -2.826 1.00 0.00 C ATOM 560 C VAL A 33 18.918 23.762 -3.767 1.00 0.00 C ATOM 561 O VAL A 33 18.675 22.588 -4.042 1.00 0.00 O ATOM 562 CB VAL A 33 17.150 25.519 -3.653 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.410 24.772 -4.752 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.175 26.263 -2.753 1.00 0.00 C ATOM 0 H VAL A 33 18.820 26.268 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 33 17.360 23.857 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 33 17.806 26.251 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.805 25.474 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.130 24.289 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.763 24.016 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.573 26.945 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.522 25.547 -2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.730 26.831 -2.006 1.00 0.00 H new ATOM 574 N GLU A 34 19.965 24.419 -4.258 1.00 0.00 N ATOM 575 CA GLU A 34 20.907 23.781 -5.170 1.00 0.00 C ATOM 576 C GLU A 34 21.833 22.829 -4.417 1.00 0.00 C ATOM 577 O GLU A 34 22.579 22.062 -5.025 1.00 0.00 O ATOM 578 CB GLU A 34 21.734 24.838 -5.905 1.00 0.00 C ATOM 579 CG GLU A 34 22.271 24.365 -7.246 1.00 0.00 C ATOM 580 CD GLU A 34 23.759 24.615 -7.399 1.00 0.00 C ATOM 581 OE1 GLU A 34 24.190 25.770 -7.198 1.00 0.00 O ATOM 582 OE2 GLU A 34 24.492 23.656 -7.720 1.00 0.00 O ATOM 0 H GLU A 34 20.182 25.391 -4.040 1.00 0.00 H new ATOM 0 HA GLU A 34 20.336 23.205 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.119 25.724 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.570 25.137 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.072 23.299 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.736 24.875 -8.048 1.00 0.00 H new ATOM 589 N ALA A 35 21.778 22.886 -3.090 1.00 0.00 N ATOM 590 CA ALA A 35 22.609 22.029 -2.254 1.00 0.00 C ATOM 591 C ALA A 35 22.093 20.594 -2.256 1.00 0.00 C ATOM 592 O ALA A 35 22.870 19.645 -2.152 1.00 0.00 O ATOM 593 CB ALA A 35 22.664 22.570 -0.833 1.00 0.00 C ATOM 0 H ALA A 35 21.167 23.517 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 35 23.617 22.026 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.288 21.920 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 35 23.086 23.575 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.657 22.604 -0.417 1.00 0.00 H new ATOM 599 N ALA A 36 20.778 20.442 -2.374 1.00 0.00 N ATOM 600 CA ALA A 36 20.160 19.123 -2.390 1.00 0.00 C ATOM 601 C ALA A 36 20.157 18.535 -3.797 1.00 0.00 C ATOM 602 O ALA A 36 20.297 19.245 -4.793 1.00 0.00 O ATOM 603 CB ALA A 36 18.741 19.198 -1.846 1.00 0.00 C ATOM 0 H ALA A 36 20.120 21.217 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 36 20.749 18.466 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.292 18.205 -1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.763 19.568 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.150 19.875 -2.463 1.00 0.00 H new ATOM 609 N PRO A 37 19.996 17.206 -3.884 1.00 0.00 N ATOM 610 CA PRO A 37 19.972 16.494 -5.165 1.00 0.00 C ATOM 611 C PRO A 37 18.715 16.798 -5.974 1.00 0.00 C ATOM 612 O PRO A 37 17.886 17.610 -5.567 1.00 0.00 O ATOM 613 CB PRO A 37 19.998 15.020 -4.752 1.00 0.00 C ATOM 614 CG PRO A 37 19.415 15.001 -3.381 1.00 0.00 C ATOM 615 CD PRO A 37 19.824 16.297 -2.738 1.00 0.00 C ATOM 0 HA PRO A 37 20.802 16.786 -5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.415 14.406 -5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 37 21.014 14.626 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.329 14.910 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.786 14.149 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.063 16.661 -2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.747 16.189 -2.168 1.00 0.00 H new ATOM 623 N GLU A 38 18.582 16.139 -7.121 1.00 0.00 N ATOM 624 CA GLU A 38 17.426 16.341 -7.986 1.00 0.00 C ATOM 625 C GLU A 38 16.138 15.930 -7.279 1.00 0.00 C ATOM 626 O GLU A 38 15.247 16.751 -7.064 1.00 0.00 O ATOM 627 CB GLU A 38 17.585 15.543 -9.282 1.00 0.00 C ATOM 628 CG GLU A 38 17.772 16.413 -10.514 1.00 0.00 C ATOM 629 CD GLU A 38 17.646 15.629 -11.806 1.00 0.00 C ATOM 630 OE1 GLU A 38 18.501 14.754 -12.056 1.00 0.00 O ATOM 631 OE2 GLU A 38 16.691 15.892 -12.568 1.00 0.00 O ATOM 0 H GLU A 38 19.259 15.462 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 38 17.366 17.403 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.442 14.876 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.706 14.914 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.032 17.213 -10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.753 16.886 -10.475 1.00 0.00 H new ATOM 638 N GLU A 39 16.048 14.653 -6.920 1.00 0.00 N ATOM 639 CA GLU A 39 14.869 14.132 -6.237 1.00 0.00 C ATOM 640 C GLU A 39 14.481 15.027 -5.064 1.00 0.00 C ATOM 641 O GLU A 39 13.349 15.505 -4.980 1.00 0.00 O ATOM 642 CB GLU A 39 15.126 12.707 -5.744 1.00 0.00 C ATOM 643 CG GLU A 39 14.577 11.634 -6.669 1.00 0.00 C ATOM 644 CD GLU A 39 15.611 11.132 -7.657 1.00 0.00 C ATOM 645 OE1 GLU A 39 16.500 10.359 -7.243 1.00 0.00 O ATOM 646 OE2 GLU A 39 15.532 11.511 -8.844 1.00 0.00 O ATOM 0 H GLU A 39 16.777 13.960 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 39 14.044 14.118 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.200 12.560 -5.628 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.679 12.587 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.213 10.797 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.722 12.033 -7.215 1.00 0.00 H new ATOM 653 N THR A 40 15.428 15.249 -4.157 1.00 0.00 N ATOM 654 CA THR A 40 15.186 16.083 -2.987 1.00 0.00 C ATOM 655 C THR A 40 14.667 17.459 -3.391 1.00 0.00 C ATOM 656 O THR A 40 13.660 17.932 -2.864 1.00 0.00 O ATOM 657 CB THR A 40 16.464 16.256 -2.146 1.00 0.00 C ATOM 658 OG1 THR A 40 16.909 14.983 -1.665 1.00 0.00 O ATOM 659 CG2 THR A 40 16.217 17.190 -0.971 1.00 0.00 C ATOM 0 H THR A 40 16.370 14.862 -4.211 1.00 0.00 H new ATOM 0 HA THR A 40 14.432 15.574 -2.387 1.00 0.00 H new ATOM 0 HB THR A 40 17.234 16.694 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.723 15.101 -1.132 1.00 0.00 H new ATOM 0 HG21 THR A 40 17.134 17.296 -0.392 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.906 18.167 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.433 16.777 -0.336 1.00 0.00 H new ATOM 667 N ARG A 41 15.361 18.096 -4.329 1.00 0.00 N ATOM 668 CA ARG A 41 14.970 19.418 -4.803 1.00 0.00 C ATOM 669 C ARG A 41 13.514 19.424 -5.259 1.00 0.00 C ATOM 670 O ARG A 41 12.798 20.406 -5.071 1.00 0.00 O ATOM 671 CB ARG A 41 15.878 19.860 -5.952 1.00 0.00 C ATOM 672 CG ARG A 41 17.173 20.508 -5.491 1.00 0.00 C ATOM 673 CD ARG A 41 18.119 20.754 -6.656 1.00 0.00 C ATOM 674 NE ARG A 41 18.287 22.178 -6.933 1.00 0.00 N ATOM 675 CZ ARG A 41 18.780 22.652 -8.072 1.00 0.00 C ATOM 676 NH1 ARG A 41 19.151 21.820 -9.035 1.00 0.00 N ATOM 677 NH2 ARG A 41 18.902 23.962 -8.250 1.00 0.00 N ATOM 0 H ARG A 41 16.197 17.718 -4.775 1.00 0.00 H new ATOM 0 HA ARG A 41 15.076 20.119 -3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.115 18.994 -6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.335 20.563 -6.583 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.952 21.453 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.659 19.868 -4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.090 20.311 -6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.736 20.254 -7.546 1.00 0.00 H new ATOM 0 HE ARG A 41 18.011 22.845 -6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.058 20.813 -8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.529 22.187 -9.908 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.617 24.606 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.281 24.325 -9.125 1.00 0.00 H new ATOM 691 N ALA A 42 13.084 18.320 -5.861 1.00 0.00 N ATOM 692 CA ALA A 42 11.714 18.197 -6.343 1.00 0.00 C ATOM 693 C ALA A 42 10.723 18.183 -5.184 1.00 0.00 C ATOM 694 O ALA A 42 9.767 18.958 -5.162 1.00 0.00 O ATOM 695 CB ALA A 42 11.561 16.939 -7.186 1.00 0.00 C ATOM 0 H ALA A 42 13.665 17.498 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 42 11.495 19.066 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.533 16.860 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.235 16.990 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.805 16.065 -6.583 1.00 0.00 H new ATOM 701 N LEU A 43 10.958 17.297 -4.222 1.00 0.00 N ATOM 702 CA LEU A 43 10.085 17.181 -3.059 1.00 0.00 C ATOM 703 C LEU A 43 10.085 18.473 -2.248 1.00 0.00 C ATOM 704 O LEU A 43 9.034 18.944 -1.812 1.00 0.00 O ATOM 705 CB LEU A 43 10.529 16.012 -2.178 1.00 0.00 C ATOM 706 CG LEU A 43 10.859 14.710 -2.907 1.00 0.00 C ATOM 707 CD1 LEU A 43 11.140 13.596 -1.910 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.723 14.318 -3.841 1.00 0.00 C ATOM 0 H LEU A 43 11.745 16.649 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 43 9.071 16.996 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.409 16.322 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.740 15.809 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 43 11.756 14.869 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.373 12.677 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.987 13.874 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.262 13.438 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.976 13.389 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.809 14.178 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.569 15.106 -4.578 1.00 0.00 H new ATOM 720 N TYR A 44 11.269 19.042 -2.052 1.00 0.00 N ATOM 721 CA TYR A 44 11.406 20.280 -1.294 1.00 0.00 C ATOM 722 C TYR A 44 10.621 21.411 -1.951 1.00 0.00 C ATOM 723 O TYR A 44 9.739 22.010 -1.335 1.00 0.00 O ATOM 724 CB TYR A 44 12.880 20.669 -1.174 1.00 0.00 C ATOM 725 CG TYR A 44 13.639 19.860 -0.146 1.00 0.00 C ATOM 726 CD1 TYR A 44 13.062 18.747 0.454 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.931 20.209 0.226 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.751 18.005 1.394 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.628 19.472 1.164 1.00 0.00 C ATOM 730 CZ TYR A 44 15.033 18.372 1.745 1.00 0.00 C ATOM 731 OH TYR A 44 15.724 17.636 2.681 1.00 0.00 O ATOM 0 H TYR A 44 12.148 18.666 -2.408 1.00 0.00 H new ATOM 0 HA TYR A 44 11.000 20.112 -0.297 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.359 20.547 -2.145 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.948 21.726 -0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.058 18.457 0.181 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.399 21.071 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 44 13.288 17.143 1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.633 19.756 1.441 1.00 0.00 H new ATOM 0 HH TYR A 44 16.613 18.027 2.814 1.00 0.00 H new ATOM 741 N ARG A 45 10.949 21.699 -3.206 1.00 0.00 N ATOM 742 CA ARG A 45 10.277 22.758 -3.949 1.00 0.00 C ATOM 743 C ARG A 45 8.794 22.444 -4.121 1.00 0.00 C ATOM 744 O ARG A 45 7.974 23.346 -4.289 1.00 0.00 O ATOM 745 CB ARG A 45 10.932 22.946 -5.318 1.00 0.00 C ATOM 746 CG ARG A 45 10.956 24.390 -5.789 1.00 0.00 C ATOM 747 CD ARG A 45 10.641 24.498 -7.273 1.00 0.00 C ATOM 748 NE ARG A 45 10.708 25.877 -7.749 1.00 0.00 N ATOM 749 CZ ARG A 45 10.627 26.217 -9.030 1.00 0.00 C ATOM 750 NH1 ARG A 45 10.476 25.283 -9.959 1.00 0.00 N ATOM 751 NH2 ARG A 45 10.697 27.494 -9.385 1.00 0.00 N ATOM 0 H ARG A 45 11.677 21.213 -3.730 1.00 0.00 H new ATOM 0 HA ARG A 45 10.372 23.683 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.954 22.569 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.399 22.342 -6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.232 24.972 -5.219 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.937 24.822 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.343 23.885 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.645 24.098 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 45 10.823 26.620 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.422 24.301 -9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.414 25.547 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.813 28.216 -8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.635 27.754 -10.369 1.00 0.00 H new ATOM 765 N GLU A 46 8.458 21.158 -4.080 1.00 0.00 N ATOM 766 CA GLU A 46 7.074 20.726 -4.234 1.00 0.00 C ATOM 767 C GLU A 46 6.226 21.184 -3.050 1.00 0.00 C ATOM 768 O GLU A 46 5.302 21.982 -3.206 1.00 0.00 O ATOM 769 CB GLU A 46 7.003 19.203 -4.367 1.00 0.00 C ATOM 770 CG GLU A 46 5.586 18.655 -4.347 1.00 0.00 C ATOM 771 CD GLU A 46 5.241 17.977 -3.036 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.551 16.776 -2.889 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.660 18.647 -2.157 1.00 0.00 O ATOM 0 H GLU A 46 9.125 20.398 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 46 6.677 21.182 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.485 18.905 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.570 18.749 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.883 19.469 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.464 17.943 -5.163 1.00 0.00 H new ATOM 780 N TYR A 47 6.548 20.672 -1.867 1.00 0.00 N ATOM 781 CA TYR A 47 5.815 21.025 -0.657 1.00 0.00 C ATOM 782 C TYR A 47 6.010 22.498 -0.312 1.00 0.00 C ATOM 783 O TYR A 47 5.156 23.117 0.324 1.00 0.00 O ATOM 784 CB TYR A 47 6.270 20.152 0.513 1.00 0.00 C ATOM 785 CG TYR A 47 5.223 19.992 1.593 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.242 19.012 1.497 1.00 0.00 C ATOM 787 CD2 TYR A 47 5.216 20.820 2.708 1.00 0.00 C ATOM 788 CE1 TYR A 47 3.284 18.863 2.481 1.00 0.00 C ATOM 789 CE2 TYR A 47 4.262 20.677 3.697 1.00 0.00 C ATOM 790 CZ TYR A 47 3.298 19.697 3.579 1.00 0.00 C ATOM 791 OH TYR A 47 2.345 19.551 4.561 1.00 0.00 O ATOM 0 H TYR A 47 7.311 20.012 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 47 4.755 20.851 -0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.544 19.167 0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.169 20.586 0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.229 18.356 0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.969 21.588 2.804 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.528 18.097 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.271 21.329 4.558 1.00 0.00 H new ATOM 0 HH TYR A 47 2.496 20.216 5.265 1.00 0.00 H new ATOM 801 N ARG A 48 7.139 23.054 -0.738 1.00 0.00 N ATOM 802 CA ARG A 48 7.448 24.455 -0.474 1.00 0.00 C ATOM 803 C ARG A 48 6.615 25.372 -1.364 1.00 0.00 C ATOM 804 O ARG A 48 6.032 26.350 -0.894 1.00 0.00 O ATOM 805 CB ARG A 48 8.937 24.722 -0.701 1.00 0.00 C ATOM 806 CG ARG A 48 9.389 26.095 -0.230 1.00 0.00 C ATOM 807 CD ARG A 48 10.160 26.009 1.078 1.00 0.00 C ATOM 808 NE ARG A 48 9.655 26.949 2.074 1.00 0.00 N ATOM 809 CZ ARG A 48 8.631 26.688 2.879 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.006 25.520 2.804 1.00 0.00 N ATOM 811 NH2 ARG A 48 8.229 27.595 3.760 1.00 0.00 N ATOM 0 H ARG A 48 7.855 22.556 -1.267 1.00 0.00 H new ATOM 0 HA ARG A 48 7.202 24.666 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.517 23.960 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.158 24.621 -1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.016 26.555 -0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.520 26.740 -0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.095 24.994 1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.215 26.211 0.891 1.00 0.00 H new ATOM 0 HE ARG A 48 10.114 27.856 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.312 24.821 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.220 25.322 3.423 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.706 28.494 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.443 27.393 4.377 1.00 0.00 H new ATOM 825 N THR A 49 6.562 25.050 -2.653 1.00 0.00 N ATOM 826 CA THR A 49 5.802 25.845 -3.609 1.00 0.00 C ATOM 827 C THR A 49 4.304 25.729 -3.352 1.00 0.00 C ATOM 828 O THR A 49 3.552 26.682 -3.563 1.00 0.00 O ATOM 829 CB THR A 49 6.097 25.414 -5.058 1.00 0.00 C ATOM 830 OG1 THR A 49 7.475 25.649 -5.368 1.00 0.00 O ATOM 831 CG2 THR A 49 5.215 26.173 -6.039 1.00 0.00 C ATOM 0 H THR A 49 7.037 24.244 -3.059 1.00 0.00 H new ATOM 0 HA THR A 49 6.112 26.881 -3.475 1.00 0.00 H new ATOM 0 HB THR A 49 5.881 24.349 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.034 25.013 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.441 25.852 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.167 25.969 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.404 27.242 -5.946 1.00 0.00 H new ATOM 839 N LEU A 50 3.876 24.558 -2.894 1.00 0.00 N ATOM 840 CA LEU A 50 2.466 24.318 -2.607 1.00 0.00 C ATOM 841 C LEU A 50 2.048 25.012 -1.314 1.00 0.00 C ATOM 842 O LEU A 50 0.989 25.637 -1.246 1.00 0.00 O ATOM 843 CB LEU A 50 2.194 22.816 -2.504 1.00 0.00 C ATOM 844 CG LEU A 50 1.702 22.134 -3.780 1.00 0.00 C ATOM 845 CD1 LEU A 50 2.665 21.036 -4.204 1.00 0.00 C ATOM 846 CD2 LEU A 50 0.303 21.570 -3.578 1.00 0.00 C ATOM 0 H LEU A 50 4.485 23.760 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 50 1.878 24.732 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.111 22.322 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.453 22.654 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 50 1.661 22.879 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.298 20.562 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.649 21.467 -4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.739 20.291 -3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.031 21.088 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.319 20.839 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.382 22.379 -3.323 1.00 0.00 H new ATOM 858 N LYS A 51 2.887 24.900 -0.290 1.00 0.00 N ATOM 859 CA LYS A 51 2.608 25.518 1.000 1.00 0.00 C ATOM 860 C LYS A 51 2.777 27.033 0.925 1.00 0.00 C ATOM 861 O LYS A 51 2.189 27.772 1.715 1.00 0.00 O ATOM 862 CB LYS A 51 3.533 24.944 2.075 1.00 0.00 C ATOM 863 CG LYS A 51 4.899 25.605 2.119 1.00 0.00 C ATOM 864 CD LYS A 51 4.946 26.719 3.151 1.00 0.00 C ATOM 865 CE LYS A 51 5.024 26.166 4.566 1.00 0.00 C ATOM 866 NZ LYS A 51 3.739 26.336 5.299 1.00 0.00 N ATOM 0 H LYS A 51 3.767 24.386 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 51 1.574 25.297 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.055 25.052 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.661 23.876 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.658 24.859 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.141 26.008 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.809 27.357 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.059 27.345 3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.284 25.108 4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.822 26.671 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.931 26.442 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.249 27.184 4.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.138 25.501 5.145 1.00 0.00 H new ATOM 880 N ARG A 52 3.583 27.487 -0.029 1.00 0.00 N ATOM 881 CA ARG A 52 3.829 28.913 -0.206 1.00 0.00 C ATOM 882 C ARG A 52 2.738 29.551 -1.062 1.00 0.00 C ATOM 883 O ARG A 52 2.313 30.678 -0.807 1.00 0.00 O ATOM 884 CB ARG A 52 5.197 29.140 -0.852 1.00 0.00 C ATOM 885 CG ARG A 52 6.356 29.041 0.126 1.00 0.00 C ATOM 886 CD ARG A 52 6.386 30.228 1.076 1.00 0.00 C ATOM 887 NE ARG A 52 7.007 31.401 0.468 1.00 0.00 N ATOM 888 CZ ARG A 52 6.939 32.622 0.987 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.280 32.828 2.119 1.00 0.00 N ATOM 890 NH2 ARG A 52 7.531 33.639 0.374 1.00 0.00 N ATOM 0 H ARG A 52 4.077 26.888 -0.691 1.00 0.00 H new ATOM 0 HA ARG A 52 3.817 29.383 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.340 28.408 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.210 30.125 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.272 28.117 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.295 28.991 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.369 30.474 1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.933 29.956 1.979 1.00 0.00 H new ATOM 0 HE ARG A 52 7.522 31.276 -0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.824 32.048 2.593 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.229 33.766 2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.039 33.484 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.478 34.576 0.774 1.00 0.00 H new ATOM 904 N THR A 53 2.289 28.822 -2.079 1.00 0.00 N ATOM 905 CA THR A 53 1.250 29.316 -2.973 1.00 0.00 C ATOM 906 C THR A 53 -0.127 29.207 -2.329 1.00 0.00 C ATOM 907 O THR A 53 -1.016 30.016 -2.598 1.00 0.00 O ATOM 908 CB THR A 53 1.243 28.544 -4.306 1.00 0.00 C ATOM 909 OG1 THR A 53 0.407 29.215 -5.256 1.00 0.00 O ATOM 910 CG2 THR A 53 0.749 27.120 -4.105 1.00 0.00 C ATOM 0 H THR A 53 2.629 27.887 -2.304 1.00 0.00 H new ATOM 0 HA THR A 53 1.474 30.364 -3.169 1.00 0.00 H new ATOM 0 HB THR A 53 2.265 28.507 -4.684 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.409 28.719 -6.101 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.753 26.595 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.404 26.603 -3.404 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.265 27.140 -3.706 1.00 0.00 H new