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 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0913 X(o=-0.091,f=-0.59) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 76:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 6.359 1.494 1.645 1.00 0.00 N ATOM 20 CA MET A 3 6.702 1.842 3.019 1.00 0.00 C ATOM 21 C MET A 3 8.033 2.587 3.075 1.00 0.00 C ATOM 22 O MET A 3 8.129 3.657 3.675 1.00 0.00 O ATOM 23 CB MET A 3 6.773 0.582 3.884 1.00 0.00 C ATOM 24 CG MET A 3 5.501 0.313 4.672 1.00 0.00 C ATOM 25 SD MET A 3 4.600 -1.127 4.067 1.00 0.00 S ATOM 26 CE MET A 3 3.086 -0.362 3.494 1.00 0.00 C ATOM 0 HA MET A 3 5.922 2.497 3.407 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.983 -0.276 3.245 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.608 0.675 4.578 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.753 0.164 5.722 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.854 1.189 4.621 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.422 -1.126 3.090 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.595 0.141 4.327 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.318 0.366 2.716 1.00 0.00 H new ATOM 36 N GLU A 4 9.054 2.013 2.448 1.00 0.00 N ATOM 37 CA GLU A 4 10.378 2.623 2.428 1.00 0.00 C ATOM 38 C GLU A 4 10.328 4.012 1.798 1.00 0.00 C ATOM 39 O GLU A 4 10.902 4.965 2.324 1.00 0.00 O ATOM 40 CB GLU A 4 11.361 1.738 1.659 1.00 0.00 C ATOM 41 CG GLU A 4 12.785 2.268 1.657 1.00 0.00 C ATOM 42 CD GLU A 4 13.713 1.446 0.784 1.00 0.00 C ATOM 43 OE1 GLU A 4 13.422 1.305 -0.422 1.00 0.00 O ATOM 44 OE2 GLU A 4 14.729 0.943 1.307 1.00 0.00 O ATOM 0 H GLU A 4 8.990 1.127 1.947 1.00 0.00 H new ATOM 0 HA GLU A 4 10.719 2.722 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.355 0.739 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.018 1.638 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.784 3.301 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.166 2.277 2.678 1.00 0.00 H new ATOM 51 N ARG A 5 9.637 4.118 0.667 1.00 0.00 N ATOM 52 CA ARG A 5 9.513 5.388 -0.036 1.00 0.00 C ATOM 53 C ARG A 5 8.704 6.388 0.786 1.00 0.00 C ATOM 54 O ARG A 5 9.092 7.548 0.929 1.00 0.00 O ATOM 55 CB ARG A 5 8.851 5.179 -1.399 1.00 0.00 C ATOM 56 CG ARG A 5 9.590 4.194 -2.290 1.00 0.00 C ATOM 57 CD ARG A 5 10.761 4.855 -3.000 1.00 0.00 C ATOM 58 NE ARG A 5 11.004 4.270 -4.316 1.00 0.00 N ATOM 59 CZ ARG A 5 11.940 4.705 -5.152 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.717 5.723 -4.811 1.00 0.00 N ATOM 61 NH2 ARG A 5 12.100 4.120 -6.333 1.00 0.00 N ATOM 0 H ARG A 5 9.155 3.339 0.219 1.00 0.00 H new ATOM 0 HA ARG A 5 10.515 5.791 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.831 4.825 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.782 6.139 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.951 3.359 -1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.902 3.782 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.564 5.922 -3.108 1.00 0.00 H new ATOM 0 HD3 ARG A 5 11.658 4.757 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 5 10.423 3.484 -4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.597 6.175 -3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.435 6.055 -5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.504 3.336 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.819 4.454 -6.975 1.00 0.00 H new ATOM 75 N LEU A 6 7.578 5.930 1.323 1.00 0.00 N ATOM 76 CA LEU A 6 6.714 6.784 2.130 1.00 0.00 C ATOM 77 C LEU A 6 7.454 7.301 3.360 1.00 0.00 C ATOM 78 O LEU A 6 7.510 8.507 3.601 1.00 0.00 O ATOM 79 CB LEU A 6 5.463 6.016 2.560 1.00 0.00 C ATOM 80 CG LEU A 6 4.546 6.728 3.555 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.199 7.030 2.919 1.00 0.00 C ATOM 82 CD2 LEU A 6 4.369 5.889 4.812 1.00 0.00 C ATOM 0 H LEU A 6 7.243 4.973 1.214 1.00 0.00 H new ATOM 0 HA LEU A 6 6.418 7.638 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.883 5.778 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.776 5.069 2.999 1.00 0.00 H new ATOM 0 HG LEU A 6 5.011 7.673 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.560 7.537 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.343 7.672 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.726 6.098 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.713 6.411 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.927 4.928 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.340 5.726 5.280 1.00 0.00 H new ATOM 94 N ARG A 7 8.022 6.382 4.132 1.00 0.00 N ATOM 95 CA ARG A 7 8.760 6.745 5.336 1.00 0.00 C ATOM 96 C ARG A 7 9.931 7.664 5.000 1.00 0.00 C ATOM 97 O ARG A 7 10.177 8.652 5.693 1.00 0.00 O ATOM 98 CB ARG A 7 9.271 5.489 6.045 1.00 0.00 C ATOM 99 CG ARG A 7 8.163 4.597 6.578 1.00 0.00 C ATOM 100 CD ARG A 7 8.397 4.227 8.034 1.00 0.00 C ATOM 101 NE ARG A 7 9.182 3.003 8.169 1.00 0.00 N ATOM 102 CZ ARG A 7 8.693 1.788 7.946 1.00 0.00 C ATOM 103 NH1 ARG A 7 7.428 1.636 7.579 1.00 0.00 N ATOM 104 NH2 ARG A 7 9.471 0.722 8.089 1.00 0.00 N ATOM 0 H ARG A 7 7.986 5.380 3.946 1.00 0.00 H new ATOM 0 HA ARG A 7 8.081 7.279 6.001 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.886 4.915 5.351 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.916 5.786 6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.205 5.108 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.103 3.690 5.976 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.912 5.045 8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.437 4.099 8.534 1.00 0.00 H new ATOM 0 HE ARG A 7 10.159 3.085 8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.828 2.453 7.467 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.055 0.702 7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.445 0.835 8.370 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.095 -0.211 7.918 1.00 0.00 H new ATOM 118 N ASP A 8 10.649 7.333 3.932 1.00 0.00 N ATOM 119 CA ASP A 8 11.793 8.128 3.503 1.00 0.00 C ATOM 120 C ASP A 8 11.356 9.532 3.094 1.00 0.00 C ATOM 121 O ASP A 8 11.793 10.524 3.678 1.00 0.00 O ATOM 122 CB ASP A 8 12.509 7.444 2.338 1.00 0.00 C ATOM 123 CG ASP A 8 13.741 8.205 1.888 1.00 0.00 C ATOM 124 OD1 ASP A 8 14.164 9.131 2.612 1.00 0.00 O ATOM 125 OD2 ASP A 8 14.283 7.874 0.813 1.00 0.00 O ATOM 0 H ASP A 8 10.458 6.519 3.348 1.00 0.00 H new ATOM 0 HA ASP A 8 12.482 8.211 4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.797 6.435 2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.820 7.346 1.499 1.00 0.00 H new ATOM 130 N VAL A 9 10.492 9.607 2.087 1.00 0.00 N ATOM 131 CA VAL A 9 9.996 10.889 1.600 1.00 0.00 C ATOM 132 C VAL A 9 9.366 11.699 2.727 1.00 0.00 C ATOM 133 O VAL A 9 9.752 12.841 2.975 1.00 0.00 O ATOM 134 CB VAL A 9 8.959 10.699 0.477 1.00 0.00 C ATOM 135 CG1 VAL A 9 8.433 12.045 0.002 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.562 9.914 -0.678 1.00 0.00 C ATOM 0 H VAL A 9 10.121 8.796 1.593 1.00 0.00 H new ATOM 0 HA VAL A 9 10.855 11.431 1.204 1.00 0.00 H new ATOM 0 HB VAL A 9 8.120 10.128 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.702 11.890 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.960 12.565 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.260 12.645 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.815 9.789 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.420 10.455 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.883 8.934 -0.324 1.00 0.00 H new ATOM 146 N ARG A 10 8.394 11.099 3.408 1.00 0.00 N ATOM 147 CA ARG A 10 7.709 11.765 4.509 1.00 0.00 C ATOM 148 C ARG A 10 8.712 12.316 5.519 1.00 0.00 C ATOM 149 O ARG A 10 8.601 13.461 5.957 1.00 0.00 O ATOM 150 CB ARG A 10 6.751 10.796 5.203 1.00 0.00 C ATOM 151 CG ARG A 10 6.105 11.368 6.454 1.00 0.00 C ATOM 152 CD ARG A 10 5.069 10.417 7.032 1.00 0.00 C ATOM 153 NE ARG A 10 5.412 9.991 8.386 1.00 0.00 N ATOM 154 CZ ARG A 10 5.215 10.742 9.464 1.00 0.00 C ATOM 155 NH1 ARG A 10 4.679 11.949 9.347 1.00 0.00 N ATOM 156 NH2 ARG A 10 5.553 10.285 10.663 1.00 0.00 N ATOM 0 H ARG A 10 8.064 10.153 3.216 1.00 0.00 H new ATOM 0 HA ARG A 10 7.138 12.597 4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.969 10.506 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.294 9.889 5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.873 11.569 7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.633 12.322 6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.094 10.905 7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.981 9.542 6.388 1.00 0.00 H new ATOM 0 HE ARG A 10 5.825 9.067 8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.417 12.303 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.529 12.523 10.177 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.964 9.356 10.758 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.401 10.862 11.490 1.00 0.00 H new ATOM 170 N GLU A 11 9.690 11.493 5.884 1.00 0.00 N ATOM 171 CA GLU A 11 10.710 11.898 6.843 1.00 0.00 C ATOM 172 C GLU A 11 11.571 13.025 6.279 1.00 0.00 C ATOM 173 O GLU A 11 11.945 13.953 6.996 1.00 0.00 O ATOM 174 CB GLU A 11 11.593 10.705 7.216 1.00 0.00 C ATOM 175 CG GLU A 11 12.750 11.067 8.133 1.00 0.00 C ATOM 176 CD GLU A 11 14.102 10.806 7.498 1.00 0.00 C ATOM 177 OE1 GLU A 11 14.442 9.623 7.289 1.00 0.00 O ATOM 178 OE2 GLU A 11 14.819 11.787 7.209 1.00 0.00 O ATOM 0 H GLU A 11 9.797 10.542 5.530 1.00 0.00 H new ATOM 0 HA GLU A 11 10.206 12.262 7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.979 9.947 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.989 10.258 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.678 12.120 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.670 10.494 9.056 1.00 0.00 H new ATOM 185 N ARG A 12 11.881 12.935 4.990 1.00 0.00 N ATOM 186 CA ARG A 12 12.699 13.946 4.329 1.00 0.00 C ATOM 187 C ARG A 12 12.018 15.311 4.374 1.00 0.00 C ATOM 188 O ARG A 12 12.631 16.310 4.751 1.00 0.00 O ATOM 189 CB ARG A 12 12.968 13.545 2.877 1.00 0.00 C ATOM 190 CG ARG A 12 14.303 14.041 2.346 1.00 0.00 C ATOM 191 CD ARG A 12 15.034 12.952 1.576 1.00 0.00 C ATOM 192 NE ARG A 12 14.216 12.400 0.499 1.00 0.00 N ATOM 193 CZ ARG A 12 14.567 11.340 -0.220 1.00 0.00 C ATOM 194 NH1 ARG A 12 15.714 10.720 0.022 1.00 0.00 N ATOM 195 NH2 ARG A 12 13.769 10.897 -1.183 1.00 0.00 N ATOM 0 H ARG A 12 11.579 12.173 4.383 1.00 0.00 H new ATOM 0 HA ARG A 12 13.648 14.015 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.936 12.458 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.168 13.935 2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.141 14.901 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.923 14.380 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.955 13.359 1.159 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.319 12.153 2.261 1.00 0.00 H new ATOM 0 HE ARG A 12 13.327 12.853 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.330 11.057 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.981 9.906 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.885 11.371 -1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.039 10.083 -1.735 1.00 0.00 H new ATOM 209 N LEU A 13 10.748 15.345 3.986 1.00 0.00 N ATOM 210 CA LEU A 13 9.983 16.587 3.982 1.00 0.00 C ATOM 211 C LEU A 13 9.847 17.149 5.393 1.00 0.00 C ATOM 212 O LEU A 13 10.097 18.331 5.627 1.00 0.00 O ATOM 213 CB LEU A 13 8.597 16.354 3.378 1.00 0.00 C ATOM 214 CG LEU A 13 8.163 17.339 2.293 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.740 17.045 1.843 1.00 0.00 C ATOM 216 CD2 LEU A 13 8.280 18.771 2.794 1.00 0.00 C ATOM 0 H LEU A 13 10.226 14.527 3.670 1.00 0.00 H new ATOM 0 HA LEU A 13 10.521 17.313 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.570 15.348 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.862 16.384 4.183 1.00 0.00 H new ATOM 0 HG LEU A 13 8.826 17.220 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.448 17.756 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.687 16.033 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.064 17.135 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.967 19.458 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.642 18.904 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.315 18.978 3.066 1.00 0.00 H new ATOM 228 N GLN A 14 9.452 16.292 6.330 1.00 0.00 N ATOM 229 CA GLN A 14 9.286 16.703 7.719 1.00 0.00 C ATOM 230 C GLN A 14 10.555 17.363 8.248 1.00 0.00 C ATOM 231 O GLN A 14 10.567 18.555 8.549 1.00 0.00 O ATOM 232 CB GLN A 14 8.922 15.499 8.589 1.00 0.00 C ATOM 233 CG GLN A 14 7.570 14.891 8.252 1.00 0.00 C ATOM 234 CD GLN A 14 6.475 15.340 9.200 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.775 16.319 8.940 1.00 0.00 O ATOM 236 NE2 GLN A 14 6.322 14.624 10.308 1.00 0.00 N ATOM 0 H GLN A 14 9.241 15.310 6.152 1.00 0.00 H new ATOM 0 HA GLN A 14 8.476 17.431 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.692 14.735 8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.923 15.804 9.635 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.297 15.164 7.233 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.647 13.804 8.281 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.925 13.820 10.483 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.602 14.878 10.984 1.00 0.00 H new ATOM 245 N ALA A 15 11.622 16.578 8.358 1.00 0.00 N ATOM 246 CA ALA A 15 12.897 17.086 8.849 1.00 0.00 C ATOM 247 C ALA A 15 13.331 18.323 8.070 1.00 0.00 C ATOM 248 O ALA A 15 13.848 19.280 8.646 1.00 0.00 O ATOM 249 CB ALA A 15 13.964 16.005 8.763 1.00 0.00 C ATOM 0 H ALA A 15 11.629 15.588 8.114 1.00 0.00 H new ATOM 0 HA ALA A 15 12.769 17.372 9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.911 16.398 9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.665 15.150 9.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.082 15.692 7.726 1.00 0.00 H new ATOM 255 N TRP A 16 13.119 18.296 6.759 1.00 0.00 N ATOM 256 CA TRP A 16 13.489 19.416 5.902 1.00 0.00 C ATOM 257 C TRP A 16 12.880 20.717 6.413 1.00 0.00 C ATOM 258 O TRP A 16 13.575 21.553 6.990 1.00 0.00 O ATOM 259 CB TRP A 16 13.036 19.156 4.464 1.00 0.00 C ATOM 260 CG TRP A 16 13.193 20.347 3.568 1.00 0.00 C ATOM 261 CD1 TRP A 16 12.223 20.932 2.805 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.392 21.096 3.340 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.747 22.000 2.116 1.00 0.00 N ATOM 264 CE2 TRP A 16 14.075 22.122 2.428 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.701 21.001 3.819 1.00 0.00 C ATOM 266 CZ2 TRP A 16 15.021 23.043 1.986 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.639 21.917 3.379 1.00 0.00 C ATOM 268 CH2 TRP A 16 16.295 22.927 2.471 1.00 0.00 C ATOM 0 H TRP A 16 12.693 17.511 6.267 1.00 0.00 H new ATOM 0 HA TRP A 16 14.575 19.513 5.921 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.609 18.324 4.055 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.990 18.850 4.470 1.00 0.00 H new ATOM 0 HD1 TRP A 16 11.195 20.604 2.751 1.00 0.00 H new ATOM 0 HE1 TRP A 16 12.231 22.604 1.476 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.975 20.227 4.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.758 23.822 1.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.654 21.853 3.742 1.00 0.00 H new ATOM 0 HH2 TRP A 16 17.050 23.628 2.148 1.00 0.00 H new ATOM 279 N GLU A 17 11.579 20.882 6.197 1.00 0.00 N ATOM 280 CA GLU A 17 10.878 22.083 6.635 1.00 0.00 C ATOM 281 C GLU A 17 11.055 22.298 8.136 1.00 0.00 C ATOM 282 O GLU A 17 11.027 23.430 8.619 1.00 0.00 O ATOM 283 CB GLU A 17 9.390 21.985 6.295 1.00 0.00 C ATOM 284 CG GLU A 17 8.613 21.065 7.221 1.00 0.00 C ATOM 285 CD GLU A 17 7.974 21.807 8.379 1.00 0.00 C ATOM 286 OE1 GLU A 17 7.049 22.609 8.133 1.00 0.00 O ATOM 287 OE2 GLU A 17 8.400 21.586 9.532 1.00 0.00 O ATOM 0 H GLU A 17 10.989 20.199 5.721 1.00 0.00 H new ATOM 0 HA GLU A 17 11.307 22.936 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.951 22.982 6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.283 21.630 5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.838 20.552 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.282 20.298 7.611 1.00 0.00 H new ATOM 294 N ARG A 18 11.237 21.204 8.867 1.00 0.00 N ATOM 295 CA ARG A 18 11.416 21.272 10.313 1.00 0.00 C ATOM 296 C ARG A 18 12.576 22.195 10.674 1.00 0.00 C ATOM 297 O ARG A 18 12.376 23.260 11.257 1.00 0.00 O ATOM 298 CB ARG A 18 11.666 19.874 10.883 1.00 0.00 C ATOM 299 CG ARG A 18 10.408 19.191 11.394 1.00 0.00 C ATOM 300 CD ARG A 18 9.830 19.918 12.598 1.00 0.00 C ATOM 301 NE ARG A 18 8.464 20.376 12.357 1.00 0.00 N ATOM 302 CZ ARG A 18 7.696 20.924 13.292 1.00 0.00 C ATOM 303 NH1 ARG A 18 8.158 21.081 14.525 1.00 0.00 N ATOM 304 NH2 ARG A 18 6.464 21.315 12.996 1.00 0.00 N ATOM 0 H ARG A 18 11.265 20.260 8.482 1.00 0.00 H new ATOM 0 HA ARG A 18 10.503 21.677 10.749 1.00 0.00 H new ATOM 0 HB2 ARG A 18 12.119 19.252 10.111 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.386 19.946 11.698 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.664 19.154 10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.637 18.160 11.665 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.843 19.254 13.463 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.461 20.772 12.843 1.00 0.00 H new ATOM 0 HE ARG A 18 8.079 20.269 11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.105 20.781 14.757 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.567 21.502 15.241 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.105 21.195 12.049 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.876 21.736 13.715 1.00 0.00 H new ATOM 318 N ALA A 19 13.788 21.779 10.322 1.00 0.00 N ATOM 319 CA ALA A 19 14.979 22.569 10.608 1.00 0.00 C ATOM 320 C ALA A 19 15.062 23.788 9.695 1.00 0.00 C ATOM 321 O ALA A 19 15.560 24.841 10.093 1.00 0.00 O ATOM 322 CB ALA A 19 16.228 21.712 10.462 1.00 0.00 C ATOM 0 H ALA A 19 13.971 20.900 9.838 1.00 0.00 H new ATOM 0 HA ALA A 19 14.912 22.922 11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.110 22.315 10.678 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.179 20.876 11.160 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.290 21.330 9.443 1.00 0.00 H new ATOM 328 N PHE A 20 14.571 23.637 8.469 1.00 0.00 N ATOM 329 CA PHE A 20 14.591 24.726 7.499 1.00 0.00 C ATOM 330 C PHE A 20 13.793 25.922 8.008 1.00 0.00 C ATOM 331 O PHE A 20 14.341 27.005 8.214 1.00 0.00 O ATOM 332 CB PHE A 20 14.025 24.253 6.159 1.00 0.00 C ATOM 333 CG PHE A 20 13.681 25.377 5.224 1.00 0.00 C ATOM 334 CD1 PHE A 20 14.665 25.993 4.468 1.00 0.00 C ATOM 335 CD2 PHE A 20 12.373 25.816 5.099 1.00 0.00 C ATOM 336 CE1 PHE A 20 14.351 27.028 3.608 1.00 0.00 C ATOM 337 CE2 PHE A 20 12.053 26.850 4.240 1.00 0.00 C ATOM 338 CZ PHE A 20 13.043 27.456 3.492 1.00 0.00 C ATOM 0 H PHE A 20 14.155 22.772 8.124 1.00 0.00 H new ATOM 0 HA PHE A 20 15.626 25.036 7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.752 23.599 5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.131 23.656 6.341 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.689 25.661 4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.594 25.344 5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.128 27.502 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.030 27.184 4.154 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.795 28.263 2.818 1.00 0.00 H new ATOM 348 N ARG A 21 12.495 25.718 8.208 1.00 0.00 N ATOM 349 CA ARG A 21 11.620 26.780 8.691 1.00 0.00 C ATOM 350 C ARG A 21 11.971 27.163 10.126 1.00 0.00 C ATOM 351 O ARG A 21 11.492 28.172 10.644 1.00 0.00 O ATOM 352 CB ARG A 21 10.157 26.340 8.612 1.00 0.00 C ATOM 353 CG ARG A 21 9.176 27.401 9.081 1.00 0.00 C ATOM 354 CD ARG A 21 7.858 27.315 8.326 1.00 0.00 C ATOM 355 NE ARG A 21 6.736 27.794 9.128 1.00 0.00 N ATOM 356 CZ ARG A 21 6.437 29.079 9.280 1.00 0.00 C ATOM 357 NH1 ARG A 21 7.174 30.009 8.688 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.399 29.436 10.026 1.00 0.00 N ATOM 0 H ARG A 21 12.026 24.827 8.043 1.00 0.00 H new ATOM 0 HA ARG A 21 11.764 27.653 8.055 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.923 26.070 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.023 25.442 9.215 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.993 27.282 10.149 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.613 28.390 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.926 27.902 7.410 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.677 26.282 8.030 1.00 0.00 H new ATOM 0 HE ARG A 21 6.150 27.104 9.597 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.973 29.738 8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.942 30.995 8.806 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.830 28.723 10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.170 30.423 10.142 1.00 0.00 H new ATOM 372 N ARG A 22 12.809 26.351 10.761 1.00 0.00 N ATOM 373 CA ARG A 22 13.222 26.603 12.137 1.00 0.00 C ATOM 374 C ARG A 22 14.225 27.751 12.201 1.00 0.00 C ATOM 375 O ARG A 22 14.112 28.640 13.044 1.00 0.00 O ATOM 376 CB ARG A 22 13.834 25.342 12.748 1.00 0.00 C ATOM 377 CG ARG A 22 12.923 24.643 13.743 1.00 0.00 C ATOM 378 CD ARG A 22 13.179 25.121 15.164 1.00 0.00 C ATOM 379 NE ARG A 22 12.021 25.808 15.728 1.00 0.00 N ATOM 380 CZ ARG A 22 12.004 26.344 16.943 1.00 0.00 C ATOM 381 NH1 ARG A 22 13.078 26.273 17.718 1.00 0.00 N ATOM 382 NH2 ARG A 22 10.911 26.953 17.386 1.00 0.00 N ATOM 0 H ARG A 22 13.216 25.513 10.345 1.00 0.00 H new ATOM 0 HA ARG A 22 12.338 26.883 12.710 1.00 0.00 H new ATOM 0 HB2 ARG A 22 14.086 24.646 11.948 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.767 25.606 13.246 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.882 24.828 13.478 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.079 23.566 13.687 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.436 24.268 15.792 1.00 0.00 H new ATOM 0 HD3 ARG A 22 14.038 25.792 15.171 1.00 0.00 H new ATOM 0 HE ARG A 22 11.179 25.880 15.158 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.920 25.806 17.381 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.062 26.686 18.651 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.083 27.010 16.793 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.899 27.364 18.319 1.00 0.00 H new ATOM 396 N GLN A 23 15.206 27.724 11.304 1.00 0.00 N ATOM 397 CA GLN A 23 16.229 28.762 11.260 1.00 0.00 C ATOM 398 C GLN A 23 15.885 29.822 10.219 1.00 0.00 C ATOM 399 O GLN A 23 16.083 31.016 10.446 1.00 0.00 O ATOM 400 CB GLN A 23 17.595 28.147 10.947 1.00 0.00 C ATOM 401 CG GLN A 23 17.859 26.845 11.685 1.00 0.00 C ATOM 402 CD GLN A 23 19.237 26.801 12.316 1.00 0.00 C ATOM 403 OE1 GLN A 23 20.252 26.789 11.619 1.00 0.00 O ATOM 404 NE2 GLN A 23 19.280 26.776 13.643 1.00 0.00 N ATOM 0 H GLN A 23 15.314 26.995 10.599 1.00 0.00 H new ATOM 0 HA GLN A 23 16.269 29.240 12.239 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.666 27.968 9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.375 28.865 11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.104 26.712 12.460 1.00 0.00 H new ATOM 0 HG3 GLN A 23 17.754 26.011 10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.414 26.787 14.182 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.179 26.746 14.124 1.00 0.00 H new ATOM 413 N ARG A 24 15.370 29.378 9.077 1.00 0.00 N ATOM 414 CA ARG A 24 15.000 30.289 8.000 1.00 0.00 C ATOM 415 C ARG A 24 13.698 31.014 8.326 1.00 0.00 C ATOM 416 O ARG A 24 13.703 32.196 8.667 1.00 0.00 O ATOM 417 CB ARG A 24 14.855 29.524 6.684 1.00 0.00 C ATOM 418 CG ARG A 24 16.127 28.816 6.247 1.00 0.00 C ATOM 419 CD ARG A 24 16.950 29.679 5.304 1.00 0.00 C ATOM 420 NE ARG A 24 18.250 29.082 5.008 1.00 0.00 N ATOM 421 CZ ARG A 24 19.252 29.035 5.879 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.104 29.547 7.093 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.405 28.475 5.536 1.00 0.00 N ATOM 0 H ARG A 24 15.199 28.393 8.874 1.00 0.00 H new ATOM 0 HA ARG A 24 15.792 31.030 7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.057 28.789 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.549 30.219 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.723 28.563 7.124 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.871 27.878 5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.399 29.827 4.375 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.096 30.663 5.748 1.00 0.00 H new ATOM 0 HE ARG A 24 18.396 28.679 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.219 29.978 7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.875 29.510 7.760 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.523 28.080 4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.174 28.439 6.205 1.00 0.00 H new ATOM 437 N GLY A 25 12.584 30.298 8.216 1.00 0.00 N ATOM 438 CA GLY A 25 11.290 30.890 8.501 1.00 0.00 C ATOM 439 C GLY A 25 10.698 31.597 7.298 1.00 0.00 C ATOM 440 O GLY A 25 10.166 32.701 7.418 1.00 0.00 O ATOM 0 H GLY A 25 12.554 29.318 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.604 30.112 8.835 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.392 31.600 9.322 1.00 0.00 H new ATOM 444 N ARG A 26 10.793 30.962 6.135 1.00 0.00 N ATOM 445 CA ARG A 26 10.265 31.539 4.904 1.00 0.00 C ATOM 446 C ARG A 26 10.583 30.649 3.706 1.00 0.00 C ATOM 447 O ARG A 26 11.036 29.515 3.866 1.00 0.00 O ATOM 448 CB ARG A 26 10.845 32.937 4.682 1.00 0.00 C ATOM 449 CG ARG A 26 9.787 34.009 4.478 1.00 0.00 C ATOM 450 CD ARG A 26 10.057 34.826 3.223 1.00 0.00 C ATOM 451 NE ARG A 26 9.334 36.095 3.231 1.00 0.00 N ATOM 452 CZ ARG A 26 9.690 37.139 3.971 1.00 0.00 C ATOM 453 NH1 ARG A 26 10.753 37.065 4.760 1.00 0.00 N ATOM 454 NH2 ARG A 26 8.981 38.260 3.923 1.00 0.00 N ATOM 0 H ARG A 26 11.230 30.048 6.019 1.00 0.00 H new ATOM 0 HA ARG A 26 9.182 31.613 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.462 33.206 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 26 11.501 32.915 3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.804 33.543 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.764 34.669 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.127 35.019 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.767 34.249 2.345 1.00 0.00 H new ATOM 0 HE ARG A 26 8.511 36.184 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.300 36.205 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.024 37.868 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.162 38.320 3.318 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.255 39.061 4.492 1.00 0.00 H new ATOM 468 N ARG A 27 10.342 31.170 2.508 1.00 0.00 N ATOM 469 CA ARG A 27 10.601 30.422 1.283 1.00 0.00 C ATOM 470 C ARG A 27 12.064 29.994 1.206 1.00 0.00 C ATOM 471 O ARG A 27 12.955 30.640 1.759 1.00 0.00 O ATOM 472 CB ARG A 27 10.239 31.265 0.059 1.00 0.00 C ATOM 473 CG ARG A 27 11.227 32.386 -0.221 1.00 0.00 C ATOM 474 CD ARG A 27 11.970 32.160 -1.528 1.00 0.00 C ATOM 475 NE ARG A 27 11.454 33.002 -2.604 1.00 0.00 N ATOM 476 CZ ARG A 27 12.098 33.212 -3.746 1.00 0.00 C ATOM 477 NH1 ARG A 27 13.278 32.645 -3.960 1.00 0.00 N ATOM 478 NH2 ARG A 27 11.563 33.991 -4.678 1.00 0.00 N ATOM 0 H ARG A 27 9.968 32.107 2.359 1.00 0.00 H new ATOM 0 HA ARG A 27 9.979 29.527 1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.181 30.616 -0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.247 31.694 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.697 33.338 -0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.943 32.455 0.598 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.030 32.367 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.886 31.112 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 27 10.549 33.454 -2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.693 32.046 -3.246 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.770 32.808 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.656 34.429 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.059 34.151 -5.555 1.00 0.00 H new ATOM 492 N PRO A 28 12.319 28.880 0.504 1.00 0.00 N ATOM 493 CA PRO A 28 13.672 28.342 0.338 1.00 0.00 C ATOM 494 C PRO A 28 14.540 29.221 -0.556 1.00 0.00 C ATOM 495 O PRO A 28 14.085 30.245 -1.065 1.00 0.00 O ATOM 496 CB PRO A 28 13.434 26.981 -0.320 1.00 0.00 C ATOM 497 CG PRO A 28 12.127 27.123 -1.022 1.00 0.00 C ATOM 498 CD PRO A 28 11.306 28.061 -0.182 1.00 0.00 C ATOM 0 HA PRO A 28 14.207 28.285 1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.234 26.734 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.400 26.183 0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.265 27.519 -2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.632 26.157 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.642 28.672 -0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.679 27.521 0.527 1.00 0.00 H new ATOM 506 N SER A 29 15.792 28.814 -0.742 1.00 0.00 N ATOM 507 CA SER A 29 16.725 29.568 -1.572 1.00 0.00 C ATOM 508 C SER A 29 17.533 28.632 -2.466 1.00 0.00 C ATOM 509 O SER A 29 17.658 27.441 -2.184 1.00 0.00 O ATOM 510 CB SER A 29 17.667 30.395 -0.696 1.00 0.00 C ATOM 511 OG SER A 29 17.276 31.757 -0.671 1.00 0.00 O ATOM 0 H SER A 29 16.183 27.967 -0.330 1.00 0.00 H new ATOM 0 HA SER A 29 16.148 30.241 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.670 29.996 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.686 30.313 -1.074 1.00 0.00 H new ATOM 0 HG SER A 29 17.893 32.264 -0.103 1.00 0.00 H new ATOM 517 N GLN A 30 18.081 29.182 -3.546 1.00 0.00 N ATOM 518 CA GLN A 30 18.877 28.398 -4.482 1.00 0.00 C ATOM 519 C GLN A 30 20.023 27.692 -3.764 1.00 0.00 C ATOM 520 O GLN A 30 20.513 26.659 -4.221 1.00 0.00 O ATOM 521 CB GLN A 30 19.429 29.295 -5.591 1.00 0.00 C ATOM 522 CG GLN A 30 20.201 30.497 -5.073 1.00 0.00 C ATOM 523 CD GLN A 30 19.647 31.812 -5.587 1.00 0.00 C ATOM 524 OE1 GLN A 30 19.180 31.900 -6.723 1.00 0.00 O ATOM 525 NE2 GLN A 30 19.697 32.843 -4.751 1.00 0.00 N ATOM 0 H GLN A 30 17.988 30.167 -3.794 1.00 0.00 H new ATOM 0 HA GLN A 30 18.230 27.641 -4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.081 28.704 -6.234 1.00 0.00 H new ATOM 0 HB3 GLN A 30 18.602 29.644 -6.210 1.00 0.00 H new ATOM 0 HG2 GLN A 30 20.176 30.498 -3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 30 21.246 30.407 -5.368 1.00 0.00 H new ATOM 0 HE21 GLN A 30 20.093 32.725 -3.818 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.340 33.753 -5.042 1.00 0.00 H new ATOM 534 N ASP A 31 20.446 28.257 -2.638 1.00 0.00 N ATOM 535 CA ASP A 31 21.534 27.682 -1.856 1.00 0.00 C ATOM 536 C ASP A 31 21.078 26.415 -1.140 1.00 0.00 C ATOM 537 O ASP A 31 21.809 25.425 -1.083 1.00 0.00 O ATOM 538 CB ASP A 31 22.053 28.699 -0.839 1.00 0.00 C ATOM 539 CG ASP A 31 23.309 29.403 -1.312 1.00 0.00 C ATOM 540 OD1 ASP A 31 23.231 30.151 -2.310 1.00 0.00 O ATOM 541 OD2 ASP A 31 24.371 29.207 -0.685 1.00 0.00 O ATOM 0 H ASP A 31 20.052 29.113 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 31 22.341 27.420 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.278 29.439 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.257 28.193 0.104 1.00 0.00 H new ATOM 546 N ASP A 32 19.868 26.453 -0.595 1.00 0.00 N ATOM 547 CA ASP A 32 19.314 25.307 0.118 1.00 0.00 C ATOM 548 C ASP A 32 18.797 24.257 -0.860 1.00 0.00 C ATOM 549 O ASP A 32 18.895 23.056 -0.607 1.00 0.00 O ATOM 550 CB ASP A 32 18.185 25.755 1.048 1.00 0.00 C ATOM 551 CG ASP A 32 18.567 25.653 2.512 1.00 0.00 C ATOM 552 OD1 ASP A 32 19.231 24.664 2.884 1.00 0.00 O ATOM 553 OD2 ASP A 32 18.200 26.563 3.286 1.00 0.00 O ATOM 0 H ASP A 32 19.251 27.265 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 32 20.110 24.862 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 32 17.915 26.785 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.301 25.144 0.863 1.00 0.00 H new ATOM 558 N VAL A 33 18.244 24.717 -1.978 1.00 0.00 N ATOM 559 CA VAL A 33 17.711 23.818 -2.994 1.00 0.00 C ATOM 560 C VAL A 33 18.833 23.109 -3.743 1.00 0.00 C ATOM 561 O VAL A 33 18.724 21.927 -4.071 1.00 0.00 O ATOM 562 CB VAL A 33 16.830 24.574 -4.006 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.341 23.632 -5.097 1.00 0.00 C ATOM 564 CG2 VAL A 33 15.659 25.239 -3.300 1.00 0.00 C ATOM 0 H VAL A 33 18.154 25.708 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 33 17.101 23.079 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 33 17.432 25.353 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.720 24.184 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.197 23.207 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.755 22.829 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.047 25.769 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.055 24.480 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.034 25.946 -2.560 1.00 0.00 H new ATOM 574 N GLU A 34 19.912 23.838 -4.012 1.00 0.00 N ATOM 575 CA GLU A 34 21.055 23.278 -4.723 1.00 0.00 C ATOM 576 C GLU A 34 21.834 22.317 -3.830 1.00 0.00 C ATOM 577 O GLU A 34 22.685 21.564 -4.303 1.00 0.00 O ATOM 578 CB GLU A 34 21.976 24.396 -5.214 1.00 0.00 C ATOM 579 CG GLU A 34 23.140 23.900 -6.055 1.00 0.00 C ATOM 580 CD GLU A 34 23.565 24.901 -7.112 1.00 0.00 C ATOM 581 OE1 GLU A 34 22.676 25.523 -7.731 1.00 0.00 O ATOM 582 OE2 GLU A 34 24.786 25.063 -7.320 1.00 0.00 O ATOM 0 H GLU A 34 20.018 24.818 -3.748 1.00 0.00 H new ATOM 0 HA GLU A 34 20.679 22.723 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.392 25.106 -5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.366 24.939 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 34 23.987 23.683 -5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 34 22.861 22.964 -6.538 1.00 0.00 H new ATOM 589 N ALA A 35 21.537 22.350 -2.535 1.00 0.00 N ATOM 590 CA ALA A 35 22.208 21.482 -1.575 1.00 0.00 C ATOM 591 C ALA A 35 21.480 20.150 -1.436 1.00 0.00 C ATOM 592 O ALA A 35 21.514 19.520 -0.380 1.00 0.00 O ATOM 593 CB ALA A 35 22.312 22.172 -0.222 1.00 0.00 C ATOM 0 H ALA A 35 20.836 22.968 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 35 23.213 21.280 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 35 22.815 21.512 0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.883 23.095 -0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.313 22.404 0.146 1.00 0.00 H new ATOM 599 N ALA A 36 20.820 19.727 -2.510 1.00 0.00 N ATOM 600 CA ALA A 36 20.084 18.469 -2.508 1.00 0.00 C ATOM 601 C ALA A 36 19.994 17.884 -3.914 1.00 0.00 C ATOM 602 O ALA A 36 20.200 18.573 -4.913 1.00 0.00 O ATOM 603 CB ALA A 36 18.693 18.673 -1.928 1.00 0.00 C ATOM 0 H ALA A 36 20.780 20.237 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 36 20.626 17.760 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.154 17.725 -1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.776 19.039 -0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.151 19.401 -2.531 1.00 0.00 H new ATOM 609 N PRO A 37 19.678 16.583 -3.995 1.00 0.00 N ATOM 610 CA PRO A 37 19.553 15.877 -5.273 1.00 0.00 C ATOM 611 C PRO A 37 18.329 16.323 -6.065 1.00 0.00 C ATOM 612 O PRO A 37 17.569 17.181 -5.617 1.00 0.00 O ATOM 613 CB PRO A 37 19.415 14.410 -4.856 1.00 0.00 C ATOM 614 CG PRO A 37 18.854 14.460 -3.477 1.00 0.00 C ATOM 615 CD PRO A 37 19.419 15.701 -2.844 1.00 0.00 C ATOM 0 HA PRO A 37 20.401 16.070 -5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.755 13.866 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.379 13.901 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 37 17.765 14.495 -3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.132 13.572 -2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.716 16.151 -2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.332 15.488 -2.287 1.00 0.00 H new ATOM 623 N GLU A 38 18.145 15.736 -7.243 1.00 0.00 N ATOM 624 CA GLU A 38 17.012 16.075 -8.096 1.00 0.00 C ATOM 625 C GLU A 38 15.692 15.740 -7.407 1.00 0.00 C ATOM 626 O GLU A 38 14.864 16.618 -7.170 1.00 0.00 O ATOM 627 CB GLU A 38 17.107 15.328 -9.429 1.00 0.00 C ATOM 628 CG GLU A 38 17.174 16.247 -10.637 1.00 0.00 C ATOM 629 CD GLU A 38 17.038 15.497 -11.948 1.00 0.00 C ATOM 630 OE1 GLU A 38 18.017 14.839 -12.358 1.00 0.00 O ATOM 631 OE2 GLU A 38 15.954 15.568 -12.564 1.00 0.00 O ATOM 0 H GLU A 38 18.765 15.024 -7.628 1.00 0.00 H new ATOM 0 HA GLU A 38 17.041 17.148 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.992 14.692 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.243 14.671 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.383 16.993 -10.566 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.122 16.785 -10.627 1.00 0.00 H new ATOM 638 N GLU A 39 15.505 14.463 -7.087 1.00 0.00 N ATOM 639 CA GLU A 39 14.286 14.012 -6.427 1.00 0.00 C ATOM 640 C GLU A 39 13.957 14.898 -5.229 1.00 0.00 C ATOM 641 O GLU A 39 12.857 15.443 -5.128 1.00 0.00 O ATOM 642 CB GLU A 39 14.433 12.558 -5.974 1.00 0.00 C ATOM 643 CG GLU A 39 14.088 11.546 -7.054 1.00 0.00 C ATOM 644 CD GLU A 39 14.757 10.204 -6.831 1.00 0.00 C ATOM 645 OE1 GLU A 39 16.000 10.171 -6.719 1.00 0.00 O ATOM 646 OE2 GLU A 39 14.036 9.186 -6.769 1.00 0.00 O ATOM 0 H GLU A 39 16.182 13.723 -7.274 1.00 0.00 H new ATOM 0 HA GLU A 39 13.468 14.081 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.459 12.391 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.790 12.389 -5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.007 11.408 -7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.388 11.940 -8.025 1.00 0.00 H new ATOM 653 N THR A 40 14.919 15.038 -4.321 1.00 0.00 N ATOM 654 CA THR A 40 14.732 15.856 -3.130 1.00 0.00 C ATOM 655 C THR A 40 14.429 17.304 -3.498 1.00 0.00 C ATOM 656 O THR A 40 13.544 17.931 -2.914 1.00 0.00 O ATOM 657 CB THR A 40 15.976 15.819 -2.222 1.00 0.00 C ATOM 658 OG1 THR A 40 16.247 14.472 -1.818 1.00 0.00 O ATOM 659 CG2 THR A 40 15.775 16.692 -0.993 1.00 0.00 C ATOM 0 H THR A 40 15.835 14.595 -4.389 1.00 0.00 H new ATOM 0 HA THR A 40 13.883 15.437 -2.590 1.00 0.00 H new ATOM 0 HB THR A 40 16.824 16.206 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.040 14.456 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.666 16.650 -0.367 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.598 17.722 -1.303 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.917 16.331 -0.427 1.00 0.00 H new ATOM 667 N ARG A 41 15.167 17.829 -4.471 1.00 0.00 N ATOM 668 CA ARG A 41 14.977 19.204 -4.917 1.00 0.00 C ATOM 669 C ARG A 41 13.520 19.456 -5.294 1.00 0.00 C ATOM 670 O ARG A 41 12.941 20.477 -4.923 1.00 0.00 O ATOM 671 CB ARG A 41 15.884 19.505 -6.111 1.00 0.00 C ATOM 672 CG ARG A 41 17.221 20.114 -5.722 1.00 0.00 C ATOM 673 CD ARG A 41 18.221 20.037 -6.865 1.00 0.00 C ATOM 674 NE ARG A 41 18.987 21.273 -7.007 1.00 0.00 N ATOM 675 CZ ARG A 41 18.538 22.345 -7.649 1.00 0.00 C ATOM 676 NH1 ARG A 41 17.334 22.334 -8.205 1.00 0.00 N ATOM 677 NH2 ARG A 41 19.293 23.433 -7.736 1.00 0.00 N ATOM 0 H ARG A 41 15.902 17.323 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 41 15.241 19.867 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.062 18.582 -6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.367 20.186 -6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 41 17.077 21.155 -5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.620 19.593 -4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.904 19.205 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.693 19.829 -7.795 1.00 0.00 H new ATOM 0 HE ARG A 41 19.917 21.315 -6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.750 21.500 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.992 23.159 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 41 20.219 23.446 -7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.947 24.256 -8.230 1.00 0.00 H new ATOM 691 N ALA A 42 12.935 18.520 -6.033 1.00 0.00 N ATOM 692 CA ALA A 42 11.546 18.640 -6.459 1.00 0.00 C ATOM 693 C ALA A 42 10.597 18.561 -5.268 1.00 0.00 C ATOM 694 O ALA A 42 9.689 19.381 -5.128 1.00 0.00 O ATOM 695 CB ALA A 42 11.210 17.560 -7.476 1.00 0.00 C ATOM 0 H ALA A 42 13.401 17.670 -6.349 1.00 0.00 H new ATOM 0 HA ALA A 42 11.419 19.616 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.170 17.662 -7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.859 17.665 -8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.360 16.578 -7.027 1.00 0.00 H new ATOM 701 N LEU A 43 10.813 17.569 -4.411 1.00 0.00 N ATOM 702 CA LEU A 43 9.976 17.382 -3.231 1.00 0.00 C ATOM 703 C LEU A 43 9.939 18.649 -2.383 1.00 0.00 C ATOM 704 O LEU A 43 8.867 19.133 -2.018 1.00 0.00 O ATOM 705 CB LEU A 43 10.495 16.211 -2.394 1.00 0.00 C ATOM 706 CG LEU A 43 9.945 14.831 -2.757 1.00 0.00 C ATOM 707 CD1 LEU A 43 10.576 13.758 -1.883 1.00 0.00 C ATOM 708 CD2 LEU A 43 8.429 14.809 -2.621 1.00 0.00 C ATOM 0 H LEU A 43 11.560 16.882 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 43 8.963 17.161 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.581 16.182 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.264 16.408 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 43 10.200 14.621 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.172 12.783 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.656 13.758 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.352 13.963 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.054 13.820 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.153 15.041 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.993 15.551 -3.290 1.00 0.00 H new ATOM 720 N TYR A 44 11.115 19.184 -2.076 1.00 0.00 N ATOM 721 CA TYR A 44 11.217 20.396 -1.271 1.00 0.00 C ATOM 722 C TYR A 44 10.569 21.579 -1.984 1.00 0.00 C ATOM 723 O TYR A 44 9.609 22.168 -1.487 1.00 0.00 O ATOM 724 CB TYR A 44 12.683 20.710 -0.967 1.00 0.00 C ATOM 725 CG TYR A 44 13.333 19.716 -0.032 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.608 18.658 0.503 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.673 19.834 0.317 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.198 17.748 1.358 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.272 18.927 1.170 1.00 0.00 C ATOM 730 CZ TYR A 44 14.530 17.886 1.688 1.00 0.00 C ATOM 731 OH TYR A 44 15.122 16.982 2.539 1.00 0.00 O ATOM 0 H TYR A 44 12.011 18.798 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 44 10.687 20.225 -0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.242 20.736 -1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.749 21.706 -0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.565 18.545 0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.256 20.649 -0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.619 16.933 1.766 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.315 19.033 1.430 1.00 0.00 H new ATOM 0 HH TYR A 44 16.064 17.222 2.667 1.00 0.00 H new ATOM 741 N ARG A 45 11.102 21.921 -3.153 1.00 0.00 N ATOM 742 CA ARG A 45 10.577 23.034 -3.935 1.00 0.00 C ATOM 743 C ARG A 45 9.073 22.890 -4.145 1.00 0.00 C ATOM 744 O ARG A 45 8.367 23.878 -4.340 1.00 0.00 O ATOM 745 CB ARG A 45 11.286 23.113 -5.289 1.00 0.00 C ATOM 746 CG ARG A 45 12.595 23.884 -5.247 1.00 0.00 C ATOM 747 CD ARG A 45 12.598 25.032 -6.243 1.00 0.00 C ATOM 748 NE ARG A 45 12.971 24.592 -7.585 1.00 0.00 N ATOM 749 CZ ARG A 45 13.265 25.426 -8.576 1.00 0.00 C ATOM 750 NH1 ARG A 45 13.229 26.736 -8.378 1.00 0.00 N ATOM 751 NH2 ARG A 45 13.596 24.949 -9.770 1.00 0.00 N ATOM 0 H ARG A 45 11.896 21.444 -3.579 1.00 0.00 H new ATOM 0 HA ARG A 45 10.763 23.954 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.481 22.102 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.620 23.584 -6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.757 24.273 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.423 23.209 -5.465 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.609 25.488 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.294 25.801 -5.907 1.00 0.00 H new ATOM 0 HE ARG A 45 13.008 23.590 -7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.975 27.107 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.455 27.374 -9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.625 23.942 -9.927 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.822 25.590 -10.531 1.00 0.00 H new ATOM 765 N GLU A 46 8.590 21.652 -4.103 1.00 0.00 N ATOM 766 CA GLU A 46 7.170 21.379 -4.290 1.00 0.00 C ATOM 767 C GLU A 46 6.362 21.851 -3.085 1.00 0.00 C ATOM 768 O GLU A 46 5.488 22.709 -3.207 1.00 0.00 O ATOM 769 CB GLU A 46 6.941 19.883 -4.518 1.00 0.00 C ATOM 770 CG GLU A 46 5.474 19.500 -4.614 1.00 0.00 C ATOM 771 CD GLU A 46 5.192 18.554 -5.765 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.722 18.791 -6.870 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.443 17.576 -5.560 1.00 0.00 O ATOM 0 H GLU A 46 9.161 20.823 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 46 6.833 21.929 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.447 19.582 -5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.401 19.325 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.163 19.033 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.874 20.402 -4.735 1.00 0.00 H new ATOM 780 N TYR A 47 6.662 21.285 -1.921 1.00 0.00 N ATOM 781 CA TYR A 47 5.962 21.644 -0.693 1.00 0.00 C ATOM 782 C TYR A 47 6.243 23.094 -0.311 1.00 0.00 C ATOM 783 O TYR A 47 5.426 23.746 0.339 1.00 0.00 O ATOM 784 CB TYR A 47 6.379 20.715 0.447 1.00 0.00 C ATOM 785 CG TYR A 47 5.345 20.600 1.544 1.00 0.00 C ATOM 786 CD1 TYR A 47 5.104 21.657 2.413 1.00 0.00 C ATOM 787 CD2 TYR A 47 4.607 19.434 1.711 1.00 0.00 C ATOM 788 CE1 TYR A 47 4.160 21.556 3.416 1.00 0.00 C ATOM 789 CE2 TYR A 47 3.661 19.324 2.711 1.00 0.00 C ATOM 790 CZ TYR A 47 3.441 20.388 3.561 1.00 0.00 C ATOM 791 OH TYR A 47 2.499 20.283 4.559 1.00 0.00 O ATOM 0 H TYR A 47 7.385 20.576 -1.802 1.00 0.00 H new ATOM 0 HA TYR A 47 4.892 21.534 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.578 19.723 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.313 21.077 0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.665 22.573 2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.776 18.599 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.986 22.387 4.083 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.097 18.410 2.827 1.00 0.00 H new ATOM 0 HH TYR A 47 2.082 19.397 4.523 1.00 0.00 H new ATOM 801 N ARG A 48 7.405 23.593 -0.721 1.00 0.00 N ATOM 802 CA ARG A 48 7.795 24.965 -0.422 1.00 0.00 C ATOM 803 C ARG A 48 7.045 25.951 -1.313 1.00 0.00 C ATOM 804 O ARG A 48 6.506 26.950 -0.837 1.00 0.00 O ATOM 805 CB ARG A 48 9.304 25.141 -0.607 1.00 0.00 C ATOM 806 CG ARG A 48 10.097 24.991 0.681 1.00 0.00 C ATOM 807 CD ARG A 48 9.670 23.756 1.458 1.00 0.00 C ATOM 808 NE ARG A 48 8.663 24.066 2.469 1.00 0.00 N ATOM 809 CZ ARG A 48 8.038 23.143 3.192 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.316 21.858 3.016 1.00 0.00 N ATOM 811 NH2 ARG A 48 7.134 23.504 4.094 1.00 0.00 N ATOM 0 H ARG A 48 8.092 23.067 -1.261 1.00 0.00 H new ATOM 0 HA ARG A 48 7.536 25.171 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.661 24.408 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.497 26.127 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.160 24.927 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.959 25.877 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 48 9.273 23.012 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.541 23.311 1.939 1.00 0.00 H new ATOM 0 HE ARG A 48 8.426 25.045 2.629 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.011 21.577 2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.835 21.151 3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.918 24.491 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.655 22.794 4.648 1.00 0.00 H new ATOM 825 N THR A 49 7.015 25.662 -2.611 1.00 0.00 N ATOM 826 CA THR A 49 6.333 26.523 -3.569 1.00 0.00 C ATOM 827 C THR A 49 4.835 26.575 -3.292 1.00 0.00 C ATOM 828 O THR A 49 4.211 27.633 -3.389 1.00 0.00 O ATOM 829 CB THR A 49 6.559 26.043 -5.015 1.00 0.00 C ATOM 830 OG1 THR A 49 7.937 26.197 -5.372 1.00 0.00 O ATOM 831 CG2 THR A 49 5.688 26.825 -5.987 1.00 0.00 C ATOM 0 H THR A 49 7.455 24.839 -3.022 1.00 0.00 H new ATOM 0 HA THR A 49 6.756 27.521 -3.454 1.00 0.00 H new ATOM 0 HB THR A 49 6.284 24.990 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.436 25.397 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.865 26.469 -7.002 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.638 26.683 -5.730 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.936 27.885 -5.926 1.00 0.00 H new ATOM 839 N LEU A 50 4.261 25.428 -2.945 1.00 0.00 N ATOM 840 CA LEU A 50 2.835 25.343 -2.652 1.00 0.00 C ATOM 841 C LEU A 50 2.508 26.034 -1.332 1.00 0.00 C ATOM 842 O LEU A 50 1.534 26.782 -1.234 1.00 0.00 O ATOM 843 CB LEU A 50 2.391 23.880 -2.599 1.00 0.00 C ATOM 844 CG LEU A 50 1.671 23.352 -3.840 1.00 0.00 C ATOM 845 CD1 LEU A 50 0.294 23.984 -3.968 1.00 0.00 C ATOM 846 CD2 LEU A 50 2.499 23.615 -5.090 1.00 0.00 C ATOM 0 H LEU A 50 4.762 24.544 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 50 2.294 25.851 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.270 23.260 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.733 23.752 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 50 1.545 22.275 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.203 23.596 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.300 23.744 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.397 25.066 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.971 23.232 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.657 24.688 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.463 23.114 -5.000 1.00 0.00 H new ATOM 858 N LYS A 51 3.329 25.780 -0.319 1.00 0.00 N ATOM 859 CA LYS A 51 3.130 26.380 0.996 1.00 0.00 C ATOM 860 C LYS A 51 3.339 27.890 0.942 1.00 0.00 C ATOM 861 O LYS A 51 2.508 28.658 1.426 1.00 0.00 O ATOM 862 CB LYS A 51 4.089 25.757 2.013 1.00 0.00 C ATOM 863 CG LYS A 51 3.941 26.324 3.414 1.00 0.00 C ATOM 864 CD LYS A 51 5.135 27.184 3.795 1.00 0.00 C ATOM 865 CE LYS A 51 5.411 27.124 5.290 1.00 0.00 C ATOM 866 NZ LYS A 51 4.505 28.022 6.058 1.00 0.00 N ATOM 0 H LYS A 51 4.139 25.163 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 51 2.104 26.184 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.921 24.680 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.114 25.910 1.675 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.029 26.919 3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.836 25.508 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.016 26.848 3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.950 28.217 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.289 26.099 5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.447 27.405 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.725 27.952 7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.639 29.004 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.517 27.738 5.898 1.00 0.00 H new ATOM 880 N ARG A 52 4.453 28.307 0.350 1.00 0.00 N ATOM 881 CA ARG A 52 4.771 29.725 0.234 1.00 0.00 C ATOM 882 C ARG A 52 3.722 30.450 -0.605 1.00 0.00 C ATOM 883 O ARG A 52 3.071 31.384 -0.135 1.00 0.00 O ATOM 884 CB ARG A 52 6.156 29.910 -0.390 1.00 0.00 C ATOM 885 CG ARG A 52 7.296 29.489 0.523 1.00 0.00 C ATOM 886 CD ARG A 52 7.291 30.279 1.822 1.00 0.00 C ATOM 887 NE ARG A 52 7.244 31.720 1.586 1.00 0.00 N ATOM 888 CZ ARG A 52 7.003 32.613 2.539 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.790 32.216 3.786 1.00 0.00 N ATOM 890 NH2 ARG A 52 6.976 33.907 2.246 1.00 0.00 N ATOM 0 H ARG A 52 5.150 27.683 -0.057 1.00 0.00 H new ATOM 0 HA ARG A 52 4.771 30.155 1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.209 29.333 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.286 30.958 -0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.213 28.425 0.743 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.247 29.635 0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.432 29.982 2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.183 30.035 2.398 1.00 0.00 H new ATOM 0 HE ARG A 52 7.405 32.059 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.811 31.222 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.605 32.904 4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.140 34.217 1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.791 34.592 2.979 1.00 0.00 H new ATOM 904 N THR A 53 3.564 30.014 -1.851 1.00 0.00 N ATOM 905 CA THR A 53 2.597 30.622 -2.756 1.00 0.00 C ATOM 906 C THR A 53 1.218 30.703 -2.113 1.00 0.00 C ATOM 907 O THR A 53 0.616 31.776 -2.041 1.00 0.00 O ATOM 908 CB THR A 53 2.490 29.834 -4.075 1.00 0.00 C ATOM 909 OG1 THR A 53 3.760 29.810 -4.736 1.00 0.00 O ATOM 910 CG2 THR A 53 1.447 30.453 -4.993 1.00 0.00 C ATOM 0 H THR A 53 4.093 29.242 -2.256 1.00 0.00 H new ATOM 0 HA THR A 53 2.955 31.629 -2.971 1.00 0.00 H new ATOM 0 HB THR A 53 2.184 28.815 -3.839 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.352 29.173 -4.284 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.390 29.879 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.475 30.443 -4.499 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.727 31.481 -5.221 1.00 0.00 H new