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= -0.061 X(o=-0.061,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.386 K(o=-0.39,f=0.19!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.703 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 81:sc= 0.75 USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 0.386 (180deg=0.361) USER MOD Single : A 53 THR OG1 : rot 89:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 3 6.019 1.554 0.860 1.00 0.00 N ATOM 20 CA MET A 3 6.135 2.032 2.233 1.00 0.00 C ATOM 21 C MET A 3 7.442 2.791 2.435 1.00 0.00 C ATOM 22 O MET A 3 7.482 3.798 3.141 1.00 0.00 O ATOM 23 CB MET A 3 6.054 0.860 3.212 1.00 0.00 C ATOM 24 CG MET A 3 7.176 -0.152 3.042 1.00 0.00 C ATOM 25 SD MET A 3 6.961 -1.609 4.083 1.00 0.00 S ATOM 26 CE MET A 3 6.088 -2.700 2.962 1.00 0.00 C ATOM 0 HA MET A 3 5.307 2.714 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.075 1.246 4.231 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.097 0.355 3.083 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.227 -0.461 1.998 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.128 0.323 3.280 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.882 -3.646 3.462 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.148 -2.237 2.661 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.702 -2.882 2.080 1.00 0.00 H new ATOM 36 N GLU A 4 8.509 2.300 1.812 1.00 0.00 N ATOM 37 CA GLU A 4 9.818 2.932 1.926 1.00 0.00 C ATOM 38 C GLU A 4 9.775 4.368 1.412 1.00 0.00 C ATOM 39 O GLU A 4 10.330 5.277 2.030 1.00 0.00 O ATOM 40 CB GLU A 4 10.865 2.132 1.150 1.00 0.00 C ATOM 41 CG GLU A 4 10.502 1.907 -0.309 1.00 0.00 C ATOM 42 CD GLU A 4 11.238 0.731 -0.919 1.00 0.00 C ATOM 43 OE1 GLU A 4 12.484 0.782 -0.987 1.00 0.00 O ATOM 44 OE2 GLU A 4 10.569 -0.240 -1.329 1.00 0.00 O ATOM 0 H GLU A 4 8.492 1.467 1.224 1.00 0.00 H new ATOM 0 HA GLU A 4 10.094 2.950 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.820 2.654 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.004 1.165 1.634 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.428 1.740 -0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.729 2.808 -0.879 1.00 0.00 H new ATOM 51 N ARG A 5 9.112 4.564 0.277 1.00 0.00 N ATOM 52 CA ARG A 5 8.998 5.888 -0.322 1.00 0.00 C ATOM 53 C ARG A 5 8.167 6.815 0.561 1.00 0.00 C ATOM 54 O ARG A 5 8.486 7.994 0.715 1.00 0.00 O ATOM 55 CB ARG A 5 8.367 5.790 -1.713 1.00 0.00 C ATOM 56 CG ARG A 5 8.537 7.048 -2.549 1.00 0.00 C ATOM 57 CD ARG A 5 9.918 7.114 -3.182 1.00 0.00 C ATOM 58 NE ARG A 5 9.912 6.627 -4.559 1.00 0.00 N ATOM 59 CZ ARG A 5 11.009 6.270 -5.217 1.00 0.00 C ATOM 60 NH1 ARG A 5 12.194 6.345 -4.626 1.00 0.00 N ATOM 61 NH2 ARG A 5 10.923 5.836 -6.468 1.00 0.00 N ATOM 0 H ARG A 5 8.646 3.823 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 5 10.001 6.305 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.810 4.948 -2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.304 5.576 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.776 7.073 -3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.380 7.926 -1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.277 8.143 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.617 6.522 -2.591 1.00 0.00 H new ATOM 0 HE ARG A 5 9.016 6.557 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.264 6.677 -3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.035 6.070 -5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.013 5.776 -6.926 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.766 5.562 -6.972 1.00 0.00 H new ATOM 75 N LEU A 6 7.100 6.273 1.137 1.00 0.00 N ATOM 76 CA LEU A 6 6.222 7.051 2.005 1.00 0.00 C ATOM 77 C LEU A 6 6.972 7.544 3.238 1.00 0.00 C ATOM 78 O LEU A 6 7.030 8.745 3.503 1.00 0.00 O ATOM 79 CB LEU A 6 5.017 6.210 2.430 1.00 0.00 C ATOM 80 CG LEU A 6 3.881 6.966 3.120 1.00 0.00 C ATOM 81 CD1 LEU A 6 3.121 7.820 2.117 1.00 0.00 C ATOM 82 CD2 LEU A 6 2.940 5.994 3.816 1.00 0.00 C ATOM 0 H LEU A 6 6.822 5.299 1.019 1.00 0.00 H new ATOM 0 HA LEU A 6 5.873 7.918 1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.614 5.716 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.365 5.426 3.102 1.00 0.00 H new ATOM 0 HG LEU A 6 4.314 7.625 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.317 8.350 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.801 8.541 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.700 7.181 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.138 6.549 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.515 5.310 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.492 5.425 4.564 1.00 0.00 H new ATOM 94 N ARG A 7 7.548 6.609 3.987 1.00 0.00 N ATOM 95 CA ARG A 7 8.295 6.949 5.192 1.00 0.00 C ATOM 96 C ARG A 7 9.487 7.842 4.859 1.00 0.00 C ATOM 97 O ARG A 7 9.806 8.770 5.602 1.00 0.00 O ATOM 98 CB ARG A 7 8.778 5.678 5.894 1.00 0.00 C ATOM 99 CG ARG A 7 9.317 5.922 7.293 1.00 0.00 C ATOM 100 CD ARG A 7 9.011 4.756 8.220 1.00 0.00 C ATOM 101 NE ARG A 7 10.071 4.545 9.202 1.00 0.00 N ATOM 102 CZ ARG A 7 11.269 4.060 8.898 1.00 0.00 C ATOM 103 NH1 ARG A 7 11.559 3.738 7.645 1.00 0.00 N ATOM 104 NH2 ARG A 7 12.181 3.896 9.848 1.00 0.00 N ATOM 0 H ARG A 7 7.512 5.611 3.781 1.00 0.00 H new ATOM 0 HA ARG A 7 7.629 7.495 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.953 4.968 5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.557 5.213 5.290 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.395 6.078 7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.880 6.835 7.698 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.070 4.941 8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.878 3.849 7.630 1.00 0.00 H new ATOM 0 HE ARG A 7 9.881 4.783 10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.861 3.863 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.480 3.366 7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.962 4.143 10.813 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.101 3.523 9.613 1.00 0.00 H new ATOM 118 N ASP A 8 10.139 7.555 3.738 1.00 0.00 N ATOM 119 CA ASP A 8 11.295 8.332 3.306 1.00 0.00 C ATOM 120 C ASP A 8 10.894 9.768 2.983 1.00 0.00 C ATOM 121 O ASP A 8 11.402 10.715 3.583 1.00 0.00 O ATOM 122 CB ASP A 8 11.944 7.683 2.082 1.00 0.00 C ATOM 123 CG ASP A 8 13.067 8.525 1.507 1.00 0.00 C ATOM 124 OD1 ASP A 8 14.191 8.461 2.046 1.00 0.00 O ATOM 125 OD2 ASP A 8 12.820 9.248 0.519 1.00 0.00 O ATOM 0 H ASP A 8 9.887 6.790 3.112 1.00 0.00 H new ATOM 0 HA ASP A 8 12.016 8.350 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.333 6.703 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.186 7.521 1.316 1.00 0.00 H new ATOM 130 N VAL A 9 9.981 9.922 2.030 1.00 0.00 N ATOM 131 CA VAL A 9 9.512 11.242 1.626 1.00 0.00 C ATOM 132 C VAL A 9 8.892 11.988 2.803 1.00 0.00 C ATOM 133 O VAL A 9 9.210 13.151 3.051 1.00 0.00 O ATOM 134 CB VAL A 9 8.476 11.147 0.490 1.00 0.00 C ATOM 135 CG1 VAL A 9 7.967 12.531 0.114 1.00 0.00 C ATOM 136 CG2 VAL A 9 9.076 10.445 -0.719 1.00 0.00 C ATOM 0 H VAL A 9 9.551 9.148 1.523 1.00 0.00 H new ATOM 0 HA VAL A 9 10.383 11.791 1.268 1.00 0.00 H new ATOM 0 HB VAL A 9 7.629 10.558 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.236 12.444 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.498 12.994 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.802 13.147 -0.220 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.331 10.386 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.940 11.006 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.387 9.439 -0.438 1.00 0.00 H new ATOM 146 N ARG A 10 8.005 11.311 3.525 1.00 0.00 N ATOM 147 CA ARG A 10 7.339 11.910 4.675 1.00 0.00 C ATOM 148 C ARG A 10 8.359 12.438 5.679 1.00 0.00 C ATOM 149 O ARG A 10 8.253 13.571 6.148 1.00 0.00 O ATOM 150 CB ARG A 10 6.425 10.887 5.352 1.00 0.00 C ATOM 151 CG ARG A 10 5.690 11.434 6.564 1.00 0.00 C ATOM 152 CD ARG A 10 4.304 10.822 6.699 1.00 0.00 C ATOM 153 NE ARG A 10 3.297 11.820 7.047 1.00 0.00 N ATOM 154 CZ ARG A 10 1.991 11.635 6.884 1.00 0.00 C ATOM 155 NH1 ARG A 10 1.538 10.495 6.381 1.00 0.00 N ATOM 156 NH2 ARG A 10 1.137 12.591 7.224 1.00 0.00 N ATOM 0 H ARG A 10 7.731 10.347 3.334 1.00 0.00 H new ATOM 0 HA ARG A 10 6.737 12.746 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.695 10.529 4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.020 10.026 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.269 11.229 7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.604 12.517 6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.028 10.340 5.761 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.324 10.045 7.463 1.00 0.00 H new ATOM 0 HE ARG A 10 3.613 12.708 7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.192 9.758 6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.535 10.355 6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.482 13.469 7.611 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.135 12.448 7.098 1.00 0.00 H new ATOM 170 N GLU A 11 9.346 11.609 6.005 1.00 0.00 N ATOM 171 CA GLU A 11 10.384 11.993 6.955 1.00 0.00 C ATOM 172 C GLU A 11 11.252 13.112 6.388 1.00 0.00 C ATOM 173 O GLU A 11 11.583 14.070 7.087 1.00 0.00 O ATOM 174 CB GLU A 11 11.255 10.785 7.308 1.00 0.00 C ATOM 175 CG GLU A 11 12.270 11.067 8.403 1.00 0.00 C ATOM 176 CD GLU A 11 12.903 9.802 8.951 1.00 0.00 C ATOM 177 OE1 GLU A 11 12.308 9.188 9.861 1.00 0.00 O ATOM 178 OE2 GLU A 11 13.992 9.428 8.469 1.00 0.00 O ATOM 0 H GLU A 11 9.449 10.668 5.626 1.00 0.00 H new ATOM 0 HA GLU A 11 9.897 12.357 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.612 9.963 7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.781 10.453 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.050 11.719 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.783 11.606 9.215 1.00 0.00 H new ATOM 185 N ARG A 12 11.619 12.983 5.117 1.00 0.00 N ATOM 186 CA ARG A 12 12.450 13.982 4.457 1.00 0.00 C ATOM 187 C ARG A 12 11.765 15.345 4.456 1.00 0.00 C ATOM 188 O ARG A 12 12.386 16.365 4.759 1.00 0.00 O ATOM 189 CB ARG A 12 12.757 13.553 3.021 1.00 0.00 C ATOM 190 CG ARG A 12 13.766 14.448 2.320 1.00 0.00 C ATOM 191 CD ARG A 12 14.992 13.665 1.875 1.00 0.00 C ATOM 192 NE ARG A 12 16.048 13.684 2.883 1.00 0.00 N ATOM 193 CZ ARG A 12 17.202 13.039 2.751 1.00 0.00 C ATOM 194 NH1 ARG A 12 17.446 12.328 1.658 1.00 0.00 N ATOM 195 NH2 ARG A 12 18.115 13.104 3.712 1.00 0.00 N ATOM 0 H ARG A 12 11.354 12.196 4.524 1.00 0.00 H new ATOM 0 HA ARG A 12 13.384 14.065 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.135 12.531 3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.830 13.546 2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.298 14.917 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.070 15.251 2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.708 12.633 1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.372 14.085 0.944 1.00 0.00 H new ATOM 0 HE ARG A 12 15.891 14.222 3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.747 12.276 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.333 11.834 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.931 13.650 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.000 12.608 3.609 1.00 0.00 H new ATOM 209 N LEU A 13 10.482 15.356 4.113 1.00 0.00 N ATOM 210 CA LEU A 13 9.711 16.594 4.071 1.00 0.00 C ATOM 211 C LEU A 13 9.592 17.208 5.463 1.00 0.00 C ATOM 212 O LEU A 13 9.894 18.384 5.660 1.00 0.00 O ATOM 213 CB LEU A 13 8.318 16.332 3.496 1.00 0.00 C ATOM 214 CG LEU A 13 7.854 17.291 2.399 1.00 0.00 C ATOM 215 CD1 LEU A 13 6.512 16.848 1.836 1.00 0.00 C ATOM 216 CD2 LEU A 13 7.766 18.712 2.936 1.00 0.00 C ATOM 0 H LEU A 13 9.953 14.521 3.860 1.00 0.00 H new ATOM 0 HA LEU A 13 10.236 17.299 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.296 15.318 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.597 16.369 4.312 1.00 0.00 H new ATOM 0 HG LEU A 13 8.587 17.273 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.197 17.542 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.607 15.847 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.769 16.837 2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.434 19.381 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.054 18.746 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.747 19.028 3.291 1.00 0.00 H new ATOM 228 N GLN A 14 9.151 16.402 6.424 1.00 0.00 N ATOM 229 CA GLN A 14 8.994 16.866 7.797 1.00 0.00 C ATOM 230 C GLN A 14 10.274 17.526 8.298 1.00 0.00 C ATOM 231 O GLN A 14 10.291 18.719 8.602 1.00 0.00 O ATOM 232 CB GLN A 14 8.615 15.700 8.711 1.00 0.00 C ATOM 233 CG GLN A 14 7.255 15.098 8.398 1.00 0.00 C ATOM 234 CD GLN A 14 6.160 15.625 9.305 1.00 0.00 C ATOM 235 OE1 GLN A 14 5.675 14.917 10.188 1.00 0.00 O ATOM 236 NE2 GLN A 14 5.765 16.875 9.093 1.00 0.00 N ATOM 0 H GLN A 14 8.896 15.425 6.277 1.00 0.00 H new ATOM 0 HA GLN A 14 8.195 17.607 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.375 14.923 8.628 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.622 16.043 9.746 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.997 15.313 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.311 14.014 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.194 17.426 8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.032 17.284 9.673 1.00 0.00 H new ATOM 245 N ALA A 15 11.344 16.742 8.383 1.00 0.00 N ATOM 246 CA ALA A 15 12.629 17.251 8.846 1.00 0.00 C ATOM 247 C ALA A 15 13.059 18.472 8.039 1.00 0.00 C ATOM 248 O ALA A 15 13.559 19.450 8.595 1.00 0.00 O ATOM 249 CB ALA A 15 13.688 16.162 8.765 1.00 0.00 C ATOM 0 H ALA A 15 11.346 15.752 8.137 1.00 0.00 H new ATOM 0 HA ALA A 15 12.517 17.557 9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.643 16.556 9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.393 15.320 9.391 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.789 15.829 7.732 1.00 0.00 H new ATOM 255 N TRP A 16 12.862 18.407 6.728 1.00 0.00 N ATOM 256 CA TRP A 16 13.232 19.507 5.844 1.00 0.00 C ATOM 257 C TRP A 16 12.622 20.819 6.325 1.00 0.00 C ATOM 258 O TRP A 16 13.316 21.667 6.885 1.00 0.00 O ATOM 259 CB TRP A 16 12.778 19.213 4.413 1.00 0.00 C ATOM 260 CG TRP A 16 12.898 20.394 3.498 1.00 0.00 C ATOM 261 CD1 TRP A 16 11.911 20.934 2.723 1.00 0.00 C ATOM 262 CD2 TRP A 16 14.071 21.180 3.262 1.00 0.00 C ATOM 263 NE1 TRP A 16 12.401 22.008 2.019 1.00 0.00 N ATOM 264 CE2 TRP A 16 13.723 22.180 2.333 1.00 0.00 C ATOM 265 CE3 TRP A 16 15.381 21.137 3.746 1.00 0.00 C ATOM 266 CZ2 TRP A 16 14.639 23.125 1.879 1.00 0.00 C ATOM 267 CZ3 TRP A 16 16.289 22.076 3.295 1.00 0.00 C ATOM 268 CH2 TRP A 16 15.915 23.060 2.370 1.00 0.00 C ATOM 0 H TRP A 16 12.448 17.605 6.253 1.00 0.00 H new ATOM 0 HA TRP A 16 14.317 19.605 5.860 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.371 18.391 4.013 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.741 18.879 4.430 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.895 20.571 2.671 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.867 22.584 1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.679 20.383 4.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 14.353 23.883 1.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 17.305 22.051 3.662 1.00 0.00 H new ATOM 0 HH2 TRP A 16 16.648 23.781 2.038 1.00 0.00 H new ATOM 279 N GLU A 17 11.321 20.979 6.104 1.00 0.00 N ATOM 280 CA GLU A 17 10.619 22.189 6.515 1.00 0.00 C ATOM 281 C GLU A 17 10.886 22.500 7.984 1.00 0.00 C ATOM 282 O GLU A 17 10.877 23.660 8.396 1.00 0.00 O ATOM 283 CB GLU A 17 9.115 22.038 6.279 1.00 0.00 C ATOM 284 CG GLU A 17 8.462 20.991 7.166 1.00 0.00 C ATOM 285 CD GLU A 17 6.949 21.008 7.071 1.00 0.00 C ATOM 286 OE1 GLU A 17 6.325 21.898 7.685 1.00 0.00 O ATOM 287 OE2 GLU A 17 6.389 20.131 6.381 1.00 0.00 O ATOM 0 H GLU A 17 10.732 20.286 5.643 1.00 0.00 H new ATOM 0 HA GLU A 17 10.992 23.017 5.913 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.631 23.000 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.944 21.775 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.829 20.003 6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.759 21.160 8.201 1.00 0.00 H new ATOM 294 N ARG A 18 11.123 21.455 8.771 1.00 0.00 N ATOM 295 CA ARG A 18 11.391 21.616 10.195 1.00 0.00 C ATOM 296 C ARG A 18 12.626 22.483 10.421 1.00 0.00 C ATOM 297 O ARG A 18 12.517 23.650 10.798 1.00 0.00 O ATOM 298 CB ARG A 18 11.586 20.250 10.856 1.00 0.00 C ATOM 299 CG ARG A 18 10.359 19.756 11.606 1.00 0.00 C ATOM 300 CD ARG A 18 10.061 20.624 12.819 1.00 0.00 C ATOM 301 NE ARG A 18 9.226 19.930 13.796 1.00 0.00 N ATOM 302 CZ ARG A 18 9.698 19.054 14.675 1.00 0.00 C ATOM 303 NH1 ARG A 18 10.992 18.766 14.700 1.00 0.00 N ATOM 304 NH2 ARG A 18 8.875 18.464 15.533 1.00 0.00 N ATOM 0 H ARG A 18 11.135 20.488 8.446 1.00 0.00 H new ATOM 0 HA ARG A 18 10.532 22.112 10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.852 19.520 10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.426 20.307 11.548 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.498 19.755 10.937 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.516 18.725 11.924 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.998 20.923 13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.560 21.537 12.497 1.00 0.00 H new ATOM 0 HE ARG A 18 8.226 20.129 13.803 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.628 19.218 14.043 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.352 18.093 15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.879 18.683 15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.239 17.791 16.208 1.00 0.00 H new ATOM 318 N ALA A 19 13.800 21.904 10.190 1.00 0.00 N ATOM 319 CA ALA A 19 15.055 22.624 10.367 1.00 0.00 C ATOM 320 C ALA A 19 15.136 23.825 9.431 1.00 0.00 C ATOM 321 O ALA A 19 15.714 24.856 9.775 1.00 0.00 O ATOM 322 CB ALA A 19 16.235 21.692 10.137 1.00 0.00 C ATOM 0 H ALA A 19 13.908 20.938 9.880 1.00 0.00 H new ATOM 0 HA ALA A 19 15.092 22.993 11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.166 22.243 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.193 20.869 10.851 1.00 0.00 H new ATOM 0 HB3 ALA A 19 16.193 21.295 9.123 1.00 0.00 H new ATOM 328 N PHE A 20 14.553 23.685 8.244 1.00 0.00 N ATOM 329 CA PHE A 20 14.562 24.758 7.257 1.00 0.00 C ATOM 330 C PHE A 20 13.904 26.016 7.817 1.00 0.00 C ATOM 331 O PHE A 20 14.556 27.048 7.983 1.00 0.00 O ATOM 332 CB PHE A 20 13.838 24.314 5.984 1.00 0.00 C ATOM 333 CG PHE A 20 13.525 25.445 5.047 1.00 0.00 C ATOM 334 CD1 PHE A 20 14.543 26.130 4.402 1.00 0.00 C ATOM 335 CD2 PHE A 20 12.214 25.824 4.810 1.00 0.00 C ATOM 336 CE1 PHE A 20 14.259 27.171 3.540 1.00 0.00 C ATOM 337 CE2 PHE A 20 11.923 26.865 3.948 1.00 0.00 C ATOM 338 CZ PHE A 20 12.947 27.538 3.311 1.00 0.00 C ATOM 0 H PHE A 20 14.069 22.839 7.943 1.00 0.00 H new ATOM 0 HA PHE A 20 15.600 24.988 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 20 14.453 23.581 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.910 23.813 6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.570 25.846 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.409 25.300 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.062 27.698 3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 20 10.896 27.151 3.773 1.00 0.00 H new ATOM 0 HZ PHE A 20 12.722 28.350 2.635 1.00 0.00 H new ATOM 348 N ARG A 21 12.610 25.923 8.104 1.00 0.00 N ATOM 349 CA ARG A 21 11.864 27.054 8.642 1.00 0.00 C ATOM 350 C ARG A 21 12.302 27.364 10.071 1.00 0.00 C ATOM 351 O ARG A 21 11.930 28.393 10.635 1.00 0.00 O ATOM 352 CB ARG A 21 10.362 26.763 8.610 1.00 0.00 C ATOM 353 CG ARG A 21 9.513 27.880 9.194 1.00 0.00 C ATOM 354 CD ARG A 21 8.305 28.176 8.319 1.00 0.00 C ATOM 355 NE ARG A 21 7.283 28.936 9.036 1.00 0.00 N ATOM 356 CZ ARG A 21 6.030 29.062 8.614 1.00 0.00 C ATOM 357 NH1 ARG A 21 5.645 28.481 7.486 1.00 0.00 N ATOM 358 NH2 ARG A 21 5.159 29.769 9.322 1.00 0.00 N ATOM 0 H ARG A 21 12.056 25.076 7.973 1.00 0.00 H new ATOM 0 HA ARG A 21 12.072 27.924 8.019 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.056 26.587 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.167 25.843 9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.180 27.601 10.194 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.117 28.781 9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.623 28.736 7.439 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.877 27.239 7.963 1.00 0.00 H new ATOM 0 HE ARG A 21 7.546 29.395 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.312 27.936 6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.682 28.580 7.164 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.451 30.216 10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.197 29.866 8.997 1.00 0.00 H new ATOM 372 N ARG A 22 13.094 26.467 10.649 1.00 0.00 N ATOM 373 CA ARG A 22 13.581 26.644 12.012 1.00 0.00 C ATOM 374 C ARG A 22 14.694 27.686 12.060 1.00 0.00 C ATOM 375 O ARG A 22 14.677 28.587 12.899 1.00 0.00 O ATOM 376 CB ARG A 22 14.090 25.313 12.571 1.00 0.00 C ATOM 377 CG ARG A 22 14.827 25.450 13.893 1.00 0.00 C ATOM 378 CD ARG A 22 14.780 24.158 14.693 1.00 0.00 C ATOM 379 NE ARG A 22 15.572 24.244 15.917 1.00 0.00 N ATOM 380 CZ ARG A 22 16.900 24.236 15.936 1.00 0.00 C ATOM 381 NH1 ARG A 22 17.581 24.147 14.802 1.00 0.00 N ATOM 382 NH2 ARG A 22 17.549 24.317 17.090 1.00 0.00 N ATOM 0 H ARG A 22 13.412 25.611 10.195 1.00 0.00 H new ATOM 0 HA ARG A 22 12.751 26.995 12.625 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.245 24.638 12.704 1.00 0.00 H new ATOM 0 HB3 ARG A 22 14.755 24.852 11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 22 15.865 25.726 13.705 1.00 0.00 H new ATOM 0 HG3 ARG A 22 14.383 26.257 14.476 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.746 23.926 14.946 1.00 0.00 H new ATOM 0 HD3 ARG A 22 15.150 23.337 14.079 1.00 0.00 H new ATOM 0 HE ARG A 22 15.078 24.314 16.807 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.085 24.085 13.913 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.601 24.141 14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.028 24.386 17.964 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.569 24.311 17.103 1.00 0.00 H new ATOM 396 N GLN A 23 15.659 27.557 11.156 1.00 0.00 N ATOM 397 CA GLN A 23 16.780 28.487 11.097 1.00 0.00 C ATOM 398 C GLN A 23 16.534 29.571 10.053 1.00 0.00 C ATOM 399 O GLN A 23 16.838 30.743 10.277 1.00 0.00 O ATOM 400 CB GLN A 23 18.075 27.739 10.776 1.00 0.00 C ATOM 401 CG GLN A 23 18.047 27.020 9.436 1.00 0.00 C ATOM 402 CD GLN A 23 18.830 25.723 9.454 1.00 0.00 C ATOM 403 OE1 GLN A 23 18.265 24.641 9.293 1.00 0.00 O ATOM 404 NE2 GLN A 23 20.140 25.824 9.650 1.00 0.00 N ATOM 0 H GLN A 23 15.687 26.817 10.454 1.00 0.00 H new ATOM 0 HA GLN A 23 16.876 28.963 12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 23 18.904 28.446 10.782 1.00 0.00 H new ATOM 0 HB3 GLN A 23 18.270 27.012 11.565 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.013 26.812 9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.455 27.676 8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 23 20.567 26.741 9.779 1.00 0.00 H new ATOM 0 HE22 GLN A 23 20.719 24.984 9.671 1.00 0.00 H new ATOM 413 N ARG A 24 15.980 29.173 8.912 1.00 0.00 N ATOM 414 CA ARG A 24 15.694 30.110 7.833 1.00 0.00 C ATOM 415 C ARG A 24 14.489 30.981 8.175 1.00 0.00 C ATOM 416 O ARG A 24 14.599 32.204 8.263 1.00 0.00 O ATOM 417 CB ARG A 24 15.438 29.355 6.528 1.00 0.00 C ATOM 418 CG ARG A 24 16.487 28.301 6.217 1.00 0.00 C ATOM 419 CD ARG A 24 17.174 28.573 4.888 1.00 0.00 C ATOM 420 NE ARG A 24 18.603 28.274 4.939 1.00 0.00 N ATOM 421 CZ ARG A 24 19.497 29.058 5.530 1.00 0.00 C ATOM 422 NH1 ARG A 24 19.112 30.183 6.118 1.00 0.00 N ATOM 423 NH2 ARG A 24 20.780 28.718 5.535 1.00 0.00 N ATOM 0 H ARG A 24 15.720 28.207 8.711 1.00 0.00 H new ATOM 0 HA ARG A 24 16.563 30.756 7.706 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.460 28.877 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.399 30.070 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.230 28.280 7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.019 27.317 6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.706 27.972 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.032 29.618 4.614 1.00 0.00 H new ATOM 0 HE ARG A 24 18.932 27.416 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.127 30.448 6.117 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.801 30.783 6.571 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.080 27.854 5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.466 29.321 5.989 1.00 0.00 H new ATOM 437 N GLY A 25 13.339 30.343 8.366 1.00 0.00 N ATOM 438 CA GLY A 25 12.129 31.074 8.695 1.00 0.00 C ATOM 439 C GLY A 25 11.638 31.929 7.544 1.00 0.00 C ATOM 440 O GLY A 25 11.243 33.079 7.740 1.00 0.00 O ATOM 0 H GLY A 25 13.223 29.332 8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.348 30.369 8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.316 31.709 9.561 1.00 0.00 H new ATOM 444 N ARG A 26 11.662 31.368 6.339 1.00 0.00 N ATOM 445 CA ARG A 26 11.218 32.088 5.152 1.00 0.00 C ATOM 446 C ARG A 26 11.429 31.247 3.896 1.00 0.00 C ATOM 447 O ARG A 26 11.717 30.053 3.978 1.00 0.00 O ATOM 448 CB ARG A 26 11.970 33.414 5.022 1.00 0.00 C ATOM 449 CG ARG A 26 11.056 34.620 4.873 1.00 0.00 C ATOM 450 CD ARG A 26 11.567 35.808 5.672 1.00 0.00 C ATOM 451 NE ARG A 26 10.529 36.815 5.880 1.00 0.00 N ATOM 452 CZ ARG A 26 10.718 37.932 6.573 1.00 0.00 C ATOM 453 NH1 ARG A 26 11.898 38.185 7.122 1.00 0.00 N ATOM 454 NH2 ARG A 26 9.725 38.800 6.718 1.00 0.00 N ATOM 0 H ARG A 26 11.984 30.417 6.159 1.00 0.00 H new ATOM 0 HA ARG A 26 10.152 32.291 5.259 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.600 33.552 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.634 33.363 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.981 34.893 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.052 34.360 5.207 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.936 35.463 6.638 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.411 36.260 5.151 1.00 0.00 H new ATOM 0 HE ARG A 26 9.609 36.651 5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.664 37.521 7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.040 39.044 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.816 38.610 6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.871 39.658 7.250 1.00 0.00 H new ATOM 468 N ARG A 27 11.282 31.878 2.736 1.00 0.00 N ATOM 469 CA ARG A 27 11.454 31.188 1.463 1.00 0.00 C ATOM 470 C ARG A 27 12.849 30.578 1.360 1.00 0.00 C ATOM 471 O ARG A 27 13.799 31.028 2.001 1.00 0.00 O ATOM 472 CB ARG A 27 11.221 32.154 0.300 1.00 0.00 C ATOM 473 CG ARG A 27 9.752 32.414 0.009 1.00 0.00 C ATOM 474 CD ARG A 27 9.552 32.972 -1.392 1.00 0.00 C ATOM 475 NE ARG A 27 9.533 34.432 -1.401 1.00 0.00 N ATOM 476 CZ ARG A 27 9.608 35.161 -2.509 1.00 0.00 C ATOM 477 NH1 ARG A 27 9.706 34.569 -3.691 1.00 0.00 N ATOM 478 NH2 ARG A 27 9.585 36.486 -2.436 1.00 0.00 N ATOM 0 H ARG A 27 11.044 32.866 2.651 1.00 0.00 H new ATOM 0 HA ARG A 27 10.720 30.384 1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.712 33.102 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.694 31.752 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.189 31.487 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.353 33.116 0.742 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.351 32.616 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.615 32.595 -1.802 1.00 0.00 H new ATOM 0 HE ARG A 27 9.458 34.919 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.724 33.551 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.763 35.132 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.510 36.946 -1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.643 37.045 -3.287 1.00 0.00 H new ATOM 492 N PRO A 28 12.976 29.528 0.535 1.00 0.00 N ATOM 493 CA PRO A 28 14.250 28.833 0.329 1.00 0.00 C ATOM 494 C PRO A 28 15.256 29.683 -0.439 1.00 0.00 C ATOM 495 O PRO A 28 14.964 30.818 -0.818 1.00 0.00 O ATOM 496 CB PRO A 28 13.854 27.602 -0.490 1.00 0.00 C ATOM 497 CG PRO A 28 12.602 28.001 -1.192 1.00 0.00 C ATOM 498 CD PRO A 28 11.886 28.938 -0.260 1.00 0.00 C ATOM 0 HA PRO A 28 14.741 28.594 1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.636 27.330 -1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.690 26.736 0.151 1.00 0.00 H new ATOM 0 HG2 PRO A 28 12.825 28.489 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.987 27.130 -1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 28 11.329 29.700 -0.806 1.00 0.00 H new ATOM 0 HD3 PRO A 28 11.170 28.409 0.370 1.00 0.00 H new ATOM 506 N SER A 29 16.442 29.128 -0.667 1.00 0.00 N ATOM 507 CA SER A 29 17.493 29.837 -1.388 1.00 0.00 C ATOM 508 C SER A 29 18.265 28.886 -2.297 1.00 0.00 C ATOM 509 O SER A 29 18.313 27.680 -2.053 1.00 0.00 O ATOM 510 CB SER A 29 18.451 30.510 -0.403 1.00 0.00 C ATOM 511 OG SER A 29 17.874 31.679 0.151 1.00 0.00 O ATOM 0 H SER A 29 16.699 28.189 -0.363 1.00 0.00 H new ATOM 0 HA SER A 29 17.023 30.601 -2.007 1.00 0.00 H new ATOM 0 HB2 SER A 29 18.706 29.813 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.381 30.765 -0.912 1.00 0.00 H new ATOM 0 HG SER A 29 18.505 32.090 0.778 1.00 0.00 H new ATOM 517 N GLN A 30 18.867 29.438 -3.345 1.00 0.00 N ATOM 518 CA GLN A 30 19.637 28.639 -4.292 1.00 0.00 C ATOM 519 C GLN A 30 20.741 27.864 -3.579 1.00 0.00 C ATOM 520 O GLN A 30 21.237 26.860 -4.090 1.00 0.00 O ATOM 521 CB GLN A 30 20.243 29.535 -5.373 1.00 0.00 C ATOM 522 CG GLN A 30 19.328 29.750 -6.568 1.00 0.00 C ATOM 523 CD GLN A 30 19.954 30.629 -7.632 1.00 0.00 C ATOM 524 OE1 GLN A 30 20.420 30.141 -8.662 1.00 0.00 O ATOM 525 NE2 GLN A 30 19.970 31.935 -7.388 1.00 0.00 N ATOM 0 H GLN A 30 18.837 30.435 -3.560 1.00 0.00 H new ATOM 0 HA GLN A 30 18.960 27.924 -4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 30 20.489 30.503 -4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 30 21.178 29.094 -5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 30 19.073 28.784 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.396 30.203 -6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.573 32.297 -6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.380 32.576 -8.068 1.00 0.00 H new ATOM 534 N ASP A 31 21.120 28.337 -2.397 1.00 0.00 N ATOM 535 CA ASP A 31 22.165 27.688 -1.613 1.00 0.00 C ATOM 536 C ASP A 31 21.662 26.378 -1.015 1.00 0.00 C ATOM 537 O ASP A 31 22.331 25.349 -1.100 1.00 0.00 O ATOM 538 CB ASP A 31 22.649 28.619 -0.500 1.00 0.00 C ATOM 539 CG ASP A 31 23.822 29.477 -0.932 1.00 0.00 C ATOM 540 OD1 ASP A 31 23.764 30.045 -2.044 1.00 0.00 O ATOM 541 OD2 ASP A 31 24.796 29.582 -0.159 1.00 0.00 O ATOM 0 H ASP A 31 20.719 29.167 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 31 22.999 27.465 -2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 31 21.828 29.263 -0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 31 22.937 28.025 0.367 1.00 0.00 H new ATOM 546 N ASP A 32 20.480 26.426 -0.411 1.00 0.00 N ATOM 547 CA ASP A 32 19.886 25.243 0.202 1.00 0.00 C ATOM 548 C ASP A 32 19.210 24.368 -0.849 1.00 0.00 C ATOM 549 O ASP A 32 19.122 23.150 -0.694 1.00 0.00 O ATOM 550 CB ASP A 32 18.873 25.651 1.273 1.00 0.00 C ATOM 551 CG ASP A 32 19.266 25.167 2.655 1.00 0.00 C ATOM 552 OD1 ASP A 32 20.234 25.715 3.222 1.00 0.00 O ATOM 553 OD2 ASP A 32 18.606 24.240 3.170 1.00 0.00 O ATOM 0 H ASP A 32 19.914 27.271 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 32 20.684 24.667 0.670 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.778 26.737 1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 32 17.894 25.248 1.015 1.00 0.00 H new ATOM 558 N VAL A 33 18.732 24.998 -1.917 1.00 0.00 N ATOM 559 CA VAL A 33 18.063 24.277 -2.994 1.00 0.00 C ATOM 560 C VAL A 33 19.064 23.493 -3.835 1.00 0.00 C ATOM 561 O VAL A 33 18.841 22.326 -4.155 1.00 0.00 O ATOM 562 CB VAL A 33 17.280 25.236 -3.909 1.00 0.00 C ATOM 563 CG1 VAL A 33 16.652 24.476 -5.068 1.00 0.00 C ATOM 564 CG2 VAL A 33 16.219 25.983 -3.115 1.00 0.00 C ATOM 0 H VAL A 33 18.795 26.006 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 33 17.365 23.583 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 33 17.977 25.967 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.103 25.171 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.434 23.991 -5.652 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.968 23.721 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.675 26.656 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.524 25.268 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.696 26.560 -2.323 1.00 0.00 H new ATOM 574 N GLU A 34 20.168 24.144 -4.191 1.00 0.00 N ATOM 575 CA GLU A 34 21.203 23.507 -4.996 1.00 0.00 C ATOM 576 C GLU A 34 22.024 22.533 -4.156 1.00 0.00 C ATOM 577 O GLU A 34 22.809 21.747 -4.686 1.00 0.00 O ATOM 578 CB GLU A 34 22.121 24.563 -5.615 1.00 0.00 C ATOM 579 CG GLU A 34 22.843 24.086 -6.864 1.00 0.00 C ATOM 580 CD GLU A 34 24.241 24.659 -6.985 1.00 0.00 C ATOM 581 OE1 GLU A 34 24.975 24.653 -5.975 1.00 0.00 O ATOM 582 OE2 GLU A 34 24.601 25.115 -8.091 1.00 0.00 O ATOM 0 H GLU A 34 20.368 25.111 -3.935 1.00 0.00 H new ATOM 0 HA GLU A 34 20.714 22.948 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.531 25.446 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.859 24.870 -4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 34 22.900 22.998 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 34 22.263 24.365 -7.743 1.00 0.00 H new ATOM 589 N ALA A 35 21.836 22.591 -2.841 1.00 0.00 N ATOM 590 CA ALA A 35 22.557 21.714 -1.927 1.00 0.00 C ATOM 591 C ALA A 35 22.001 20.295 -1.974 1.00 0.00 C ATOM 592 O ALA A 35 22.747 19.322 -1.868 1.00 0.00 O ATOM 593 CB ALA A 35 22.492 22.262 -0.509 1.00 0.00 C ATOM 0 H ALA A 35 21.191 23.236 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 35 23.599 21.678 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 35 23.035 21.597 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 35 22.944 23.254 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.451 22.328 -0.192 1.00 0.00 H new ATOM 599 N ALA A 36 20.686 20.185 -2.134 1.00 0.00 N ATOM 600 CA ALA A 36 20.031 18.885 -2.196 1.00 0.00 C ATOM 601 C ALA A 36 20.056 18.324 -3.614 1.00 0.00 C ATOM 602 O ALA A 36 20.249 19.049 -4.590 1.00 0.00 O ATOM 603 CB ALA A 36 18.598 18.991 -1.694 1.00 0.00 C ATOM 0 H ALA A 36 20.054 20.981 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 36 20.581 18.199 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.121 18.012 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.599 19.340 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.046 19.697 -2.315 1.00 0.00 H new ATOM 609 N PRO A 37 19.859 17.003 -3.733 1.00 0.00 N ATOM 610 CA PRO A 37 19.855 16.316 -5.028 1.00 0.00 C ATOM 611 C PRO A 37 18.634 16.674 -5.870 1.00 0.00 C ATOM 612 O PRO A 37 17.822 17.510 -5.477 1.00 0.00 O ATOM 613 CB PRO A 37 19.824 14.835 -4.644 1.00 0.00 C ATOM 614 CG PRO A 37 19.197 14.807 -3.293 1.00 0.00 C ATOM 615 CD PRO A 37 19.623 16.078 -2.612 1.00 0.00 C ATOM 0 HA PRO A 37 20.714 16.594 -5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 37 19.246 14.252 -5.361 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.828 14.410 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.111 14.750 -3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.524 13.934 -2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.851 16.451 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 37 20.523 15.932 -2.015 1.00 0.00 H new ATOM 623 N GLU A 38 18.513 16.034 -7.029 1.00 0.00 N ATOM 624 CA GLU A 38 17.391 16.286 -7.926 1.00 0.00 C ATOM 625 C GLU A 38 16.071 15.889 -7.270 1.00 0.00 C ATOM 626 O GLU A 38 15.201 16.730 -7.045 1.00 0.00 O ATOM 627 CB GLU A 38 17.574 15.517 -9.236 1.00 0.00 C ATOM 628 CG GLU A 38 16.823 16.126 -10.408 1.00 0.00 C ATOM 629 CD GLU A 38 16.961 15.307 -11.677 1.00 0.00 C ATOM 630 OE1 GLU A 38 17.424 14.151 -11.589 1.00 0.00 O ATOM 631 OE2 GLU A 38 16.605 15.822 -12.758 1.00 0.00 O ATOM 0 H GLU A 38 19.177 15.338 -7.368 1.00 0.00 H new ATOM 0 HA GLU A 38 17.363 17.354 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.636 15.475 -9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.239 14.490 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.768 16.216 -10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.195 17.135 -10.589 1.00 0.00 H new ATOM 638 N GLU A 39 15.931 14.602 -6.968 1.00 0.00 N ATOM 639 CA GLU A 39 14.717 14.094 -6.340 1.00 0.00 C ATOM 640 C GLU A 39 14.317 14.958 -5.148 1.00 0.00 C ATOM 641 O GLU A 39 13.202 15.478 -5.089 1.00 0.00 O ATOM 642 CB GLU A 39 14.917 12.645 -5.889 1.00 0.00 C ATOM 643 CG GLU A 39 13.636 11.828 -5.877 1.00 0.00 C ATOM 644 CD GLU A 39 13.763 10.557 -5.061 1.00 0.00 C ATOM 645 OE1 GLU A 39 14.699 10.469 -4.239 1.00 0.00 O ATOM 646 OE2 GLU A 39 12.924 9.650 -5.243 1.00 0.00 O ATOM 0 H GLU A 39 16.642 13.893 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 39 13.915 14.130 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.638 12.164 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.349 12.641 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.826 12.435 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.363 11.572 -6.901 1.00 0.00 H new ATOM 653 N THR A 40 15.236 15.109 -4.199 1.00 0.00 N ATOM 654 CA THR A 40 14.981 15.909 -3.008 1.00 0.00 C ATOM 655 C THR A 40 14.565 17.328 -3.377 1.00 0.00 C ATOM 656 O THR A 40 13.616 17.873 -2.813 1.00 0.00 O ATOM 657 CB THR A 40 16.221 15.970 -2.096 1.00 0.00 C ATOM 658 OG1 THR A 40 16.597 14.649 -1.691 1.00 0.00 O ATOM 659 CG2 THR A 40 15.947 16.824 -0.868 1.00 0.00 C ATOM 0 H THR A 40 16.164 14.687 -4.233 1.00 0.00 H new ATOM 0 HA THR A 40 14.167 15.423 -2.470 1.00 0.00 H new ATOM 0 HB THR A 40 17.037 16.422 -2.659 1.00 0.00 H new ATOM 0 HG1 THR A 40 17.387 14.696 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.837 16.853 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.690 17.837 -1.179 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.118 16.396 -0.305 1.00 0.00 H new ATOM 667 N ARG A 41 15.280 17.921 -4.328 1.00 0.00 N ATOM 668 CA ARG A 41 14.985 19.278 -4.772 1.00 0.00 C ATOM 669 C ARG A 41 13.532 19.397 -5.225 1.00 0.00 C ATOM 670 O ARG A 41 12.859 20.384 -4.928 1.00 0.00 O ATOM 671 CB ARG A 41 15.921 19.678 -5.914 1.00 0.00 C ATOM 672 CG ARG A 41 17.208 20.336 -5.443 1.00 0.00 C ATOM 673 CD ARG A 41 18.188 20.526 -6.590 1.00 0.00 C ATOM 674 NE ARG A 41 18.439 21.937 -6.868 1.00 0.00 N ATOM 675 CZ ARG A 41 18.970 22.380 -8.002 1.00 0.00 C ATOM 676 NH1 ARG A 41 19.305 21.525 -8.959 1.00 0.00 N ATOM 677 NH2 ARG A 41 19.168 23.680 -8.181 1.00 0.00 N ATOM 0 H ARG A 41 16.068 17.483 -4.806 1.00 0.00 H new ATOM 0 HA ARG A 41 15.142 19.952 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.168 18.791 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.396 20.362 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.980 21.303 -4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 41 17.668 19.724 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.129 20.031 -6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.795 20.044 -7.486 1.00 0.00 H new ATOM 0 HE ARG A 41 18.193 22.620 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.155 20.525 -8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.713 21.867 -9.829 1.00 0.00 H new ATOM 0 HH21 ARG A 41 18.912 24.341 -7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 41 19.576 24.019 -9.052 1.00 0.00 H new ATOM 691 N ALA A 42 13.057 18.387 -5.946 1.00 0.00 N ATOM 692 CA ALA A 42 11.686 18.378 -6.438 1.00 0.00 C ATOM 693 C ALA A 42 10.689 18.327 -5.285 1.00 0.00 C ATOM 694 O ALA A 42 9.745 19.117 -5.231 1.00 0.00 O ATOM 695 CB ALA A 42 11.470 17.202 -7.378 1.00 0.00 C ATOM 0 H ALA A 42 13.602 17.564 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 42 11.518 19.304 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.441 17.208 -7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.151 17.283 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.663 16.271 -6.846 1.00 0.00 H new ATOM 701 N LEU A 43 10.903 17.392 -4.366 1.00 0.00 N ATOM 702 CA LEU A 43 10.022 17.236 -3.213 1.00 0.00 C ATOM 703 C LEU A 43 10.024 18.496 -2.353 1.00 0.00 C ATOM 704 O LEU A 43 8.969 18.991 -1.956 1.00 0.00 O ATOM 705 CB LEU A 43 10.454 16.032 -2.376 1.00 0.00 C ATOM 706 CG LEU A 43 10.762 14.750 -3.151 1.00 0.00 C ATOM 707 CD1 LEU A 43 11.986 14.058 -2.573 1.00 0.00 C ATOM 708 CD2 LEU A 43 9.561 13.816 -3.136 1.00 0.00 C ATOM 0 H LEU A 43 11.679 16.730 -4.396 1.00 0.00 H new ATOM 0 HA LEU A 43 9.009 17.070 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.341 16.310 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.667 15.816 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 43 10.976 15.016 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.190 13.148 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.846 14.725 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.801 13.804 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.798 12.909 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.315 13.556 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.708 14.313 -3.599 1.00 0.00 H new ATOM 720 N TYR A 44 11.215 19.010 -2.069 1.00 0.00 N ATOM 721 CA TYR A 44 11.355 20.212 -1.256 1.00 0.00 C ATOM 722 C TYR A 44 10.661 21.400 -1.915 1.00 0.00 C ATOM 723 O TYR A 44 9.791 22.034 -1.318 1.00 0.00 O ATOM 724 CB TYR A 44 12.834 20.532 -1.030 1.00 0.00 C ATOM 725 CG TYR A 44 13.502 19.628 -0.019 1.00 0.00 C ATOM 726 CD1 TYR A 44 12.834 18.528 0.507 1.00 0.00 C ATOM 727 CD2 TYR A 44 14.799 19.874 0.413 1.00 0.00 C ATOM 728 CE1 TYR A 44 13.440 17.700 1.432 1.00 0.00 C ATOM 729 CE2 TYR A 44 15.413 19.051 1.336 1.00 0.00 C ATOM 730 CZ TYR A 44 14.729 17.965 1.843 1.00 0.00 C ATOM 731 OH TYR A 44 15.337 17.143 2.764 1.00 0.00 O ATOM 0 H TYR A 44 12.098 18.613 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 44 10.880 20.025 -0.293 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.363 20.454 -1.980 1.00 0.00 H new ATOM 0 HB3 TYR A 44 12.927 21.566 -0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.824 18.317 0.187 1.00 0.00 H new ATOM 0 HD2 TYR A 44 15.337 20.724 0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.907 16.850 1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 44 16.423 19.256 1.659 1.00 0.00 H new ATOM 0 HH TYR A 44 16.244 17.468 2.945 1.00 0.00 H new ATOM 741 N ARG A 45 11.053 21.694 -3.150 1.00 0.00 N ATOM 742 CA ARG A 45 10.469 22.806 -3.892 1.00 0.00 C ATOM 743 C ARG A 45 8.974 22.593 -4.104 1.00 0.00 C ATOM 744 O ARG A 45 8.218 23.550 -4.265 1.00 0.00 O ATOM 745 CB ARG A 45 11.169 22.969 -5.242 1.00 0.00 C ATOM 746 CG ARG A 45 11.292 24.415 -5.694 1.00 0.00 C ATOM 747 CD ARG A 45 10.408 24.699 -6.898 1.00 0.00 C ATOM 748 NE ARG A 45 9.859 26.053 -6.867 1.00 0.00 N ATOM 749 CZ ARG A 45 9.082 26.553 -7.821 1.00 0.00 C ATOM 750 NH1 ARG A 45 8.764 25.815 -8.876 1.00 0.00 N ATOM 751 NH2 ARG A 45 8.622 27.793 -7.721 1.00 0.00 N ATOM 0 H ARG A 45 11.772 21.179 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 45 10.609 23.714 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.165 22.531 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.619 22.407 -5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.016 25.078 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.330 24.632 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.986 24.563 -7.812 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.592 23.977 -6.927 1.00 0.00 H new ATOM 0 HE ARG A 45 10.085 26.647 -6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.116 24.861 -8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.167 26.201 -9.607 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.865 28.363 -6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.025 28.176 -8.454 1.00 0.00 H new ATOM 765 N GLU A 46 8.555 21.331 -4.104 1.00 0.00 N ATOM 766 CA GLU A 46 7.150 20.993 -4.299 1.00 0.00 C ATOM 767 C GLU A 46 6.310 21.455 -3.112 1.00 0.00 C ATOM 768 O GLU A 46 5.345 22.203 -3.274 1.00 0.00 O ATOM 769 CB GLU A 46 6.988 19.484 -4.495 1.00 0.00 C ATOM 770 CG GLU A 46 5.539 19.027 -4.534 1.00 0.00 C ATOM 771 CD GLU A 46 5.399 17.564 -4.906 1.00 0.00 C ATOM 772 OE1 GLU A 46 5.820 17.193 -6.021 1.00 0.00 O ATOM 773 OE2 GLU A 46 4.868 16.791 -4.082 1.00 0.00 O ATOM 0 H GLU A 46 9.168 20.527 -3.971 1.00 0.00 H new ATOM 0 HA GLU A 46 6.799 21.508 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.477 19.192 -5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.503 18.964 -3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.082 19.195 -3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.989 19.635 -5.253 1.00 0.00 H new ATOM 780 N TYR A 47 6.684 21.005 -1.919 1.00 0.00 N ATOM 781 CA TYR A 47 5.964 21.369 -0.705 1.00 0.00 C ATOM 782 C TYR A 47 6.175 22.842 -0.367 1.00 0.00 C ATOM 783 O TYR A 47 5.334 23.470 0.276 1.00 0.00 O ATOM 784 CB TYR A 47 6.419 20.496 0.465 1.00 0.00 C ATOM 785 CG TYR A 47 5.468 20.513 1.640 1.00 0.00 C ATOM 786 CD1 TYR A 47 4.295 19.769 1.620 1.00 0.00 C ATOM 787 CD2 TYR A 47 5.742 21.273 2.770 1.00 0.00 C ATOM 788 CE1 TYR A 47 3.422 19.782 2.691 1.00 0.00 C ATOM 789 CE2 TYR A 47 4.876 21.291 3.846 1.00 0.00 C ATOM 790 CZ TYR A 47 3.718 20.544 3.802 1.00 0.00 C ATOM 791 OH TYR A 47 2.852 20.560 4.871 1.00 0.00 O ATOM 0 H TYR A 47 7.482 20.388 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 47 4.901 21.204 -0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.535 19.469 0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.401 20.833 0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.061 19.170 0.752 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.648 21.860 2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.513 19.199 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.105 21.887 4.717 1.00 0.00 H new ATOM 0 HH TYR A 47 3.208 21.145 5.572 1.00 0.00 H new ATOM 801 N ARG A 48 7.306 23.386 -0.806 1.00 0.00 N ATOM 802 CA ARG A 48 7.630 24.785 -0.550 1.00 0.00 C ATOM 803 C ARG A 48 6.753 25.708 -1.390 1.00 0.00 C ATOM 804 O ARG A 48 6.252 26.722 -0.902 1.00 0.00 O ATOM 805 CB ARG A 48 9.106 25.051 -0.852 1.00 0.00 C ATOM 806 CG ARG A 48 9.988 25.061 0.386 1.00 0.00 C ATOM 807 CD ARG A 48 9.595 26.176 1.342 1.00 0.00 C ATOM 808 NE ARG A 48 8.873 25.669 2.506 1.00 0.00 N ATOM 809 CZ ARG A 48 8.295 26.452 3.410 1.00 0.00 C ATOM 810 NH1 ARG A 48 8.354 27.771 3.285 1.00 0.00 N ATOM 811 NH2 ARG A 48 7.656 25.916 4.442 1.00 0.00 N ATOM 0 H ARG A 48 8.013 22.880 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 48 7.439 24.990 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.470 24.289 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.197 26.011 -1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.913 24.100 0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.030 25.184 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.490 26.703 1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.973 26.901 0.817 1.00 0.00 H new ATOM 0 HE ARG A 48 8.809 24.659 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.844 28.187 2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.909 28.370 3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.608 24.902 4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.212 26.518 5.136 1.00 0.00 H new ATOM 825 N THR A 49 6.570 25.351 -2.658 1.00 0.00 N ATOM 826 CA THR A 49 5.756 26.148 -3.567 1.00 0.00 C ATOM 827 C THR A 49 4.273 26.014 -3.237 1.00 0.00 C ATOM 828 O THR A 49 3.541 27.004 -3.209 1.00 0.00 O ATOM 829 CB THR A 49 5.984 25.736 -5.033 1.00 0.00 C ATOM 830 OG1 THR A 49 7.346 25.973 -5.403 1.00 0.00 O ATOM 831 CG2 THR A 49 5.059 26.508 -5.962 1.00 0.00 C ATOM 0 H THR A 49 6.975 24.515 -3.078 1.00 0.00 H new ATOM 0 HA THR A 49 6.062 27.186 -3.438 1.00 0.00 H new ATOM 0 HB THR A 49 5.763 24.673 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.905 25.232 -5.087 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.238 26.200 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.022 26.302 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.253 27.576 -5.864 1.00 0.00 H new ATOM 839 N LEU A 50 3.837 24.784 -2.989 1.00 0.00 N ATOM 840 CA LEU A 50 2.440 24.520 -2.660 1.00 0.00 C ATOM 841 C LEU A 50 2.054 25.189 -1.344 1.00 0.00 C ATOM 842 O LEU A 50 1.006 25.827 -1.243 1.00 0.00 O ATOM 843 CB LEU A 50 2.193 23.013 -2.571 1.00 0.00 C ATOM 844 CG LEU A 50 1.437 22.387 -3.743 1.00 0.00 C ATOM 845 CD1 LEU A 50 2.411 21.791 -4.749 1.00 0.00 C ATOM 846 CD2 LEU A 50 0.466 21.326 -3.246 1.00 0.00 C ATOM 0 H LEU A 50 4.430 23.954 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 50 1.820 24.938 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.156 22.512 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.637 22.810 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 50 0.865 23.170 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.855 21.350 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.066 22.575 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.010 21.021 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.063 20.891 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.017 20.545 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.253 21.781 -2.564 1.00 0.00 H new ATOM 858 N LYS A 51 2.910 25.041 -0.339 1.00 0.00 N ATOM 859 CA LYS A 51 2.662 25.633 0.971 1.00 0.00 C ATOM 860 C LYS A 51 2.702 27.156 0.896 1.00 0.00 C ATOM 861 O LYS A 51 1.791 27.834 1.371 1.00 0.00 O ATOM 862 CB LYS A 51 3.696 25.134 1.983 1.00 0.00 C ATOM 863 CG LYS A 51 3.459 25.642 3.394 1.00 0.00 C ATOM 864 CD LYS A 51 4.224 26.929 3.659 1.00 0.00 C ATOM 865 CE LYS A 51 3.423 27.883 4.532 1.00 0.00 C ATOM 866 NZ LYS A 51 3.086 29.143 3.813 1.00 0.00 N ATOM 0 H LYS A 51 3.782 24.516 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 51 1.667 25.329 1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.687 24.044 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.689 25.442 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.393 25.813 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.765 24.881 4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.171 26.697 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.462 27.414 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.505 27.394 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.994 28.119 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.442 29.714 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.957 29.681 3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.623 28.914 2.910 1.00 0.00 H new ATOM 880 N ARG A 52 3.762 27.686 0.295 1.00 0.00 N ATOM 881 CA ARG A 52 3.920 29.129 0.158 1.00 0.00 C ATOM 882 C ARG A 52 2.689 29.752 -0.493 1.00 0.00 C ATOM 883 O ARG A 52 2.093 30.685 0.045 1.00 0.00 O ATOM 884 CB ARG A 52 5.166 29.451 -0.670 1.00 0.00 C ATOM 885 CG ARG A 52 6.453 29.449 0.139 1.00 0.00 C ATOM 886 CD ARG A 52 6.518 30.638 1.085 1.00 0.00 C ATOM 887 NE ARG A 52 6.514 31.909 0.367 1.00 0.00 N ATOM 888 CZ ARG A 52 6.504 33.093 0.969 1.00 0.00 C ATOM 889 NH1 ARG A 52 6.498 33.167 2.292 1.00 0.00 N ATOM 890 NH2 ARG A 52 6.501 34.206 0.246 1.00 0.00 N ATOM 0 H ARG A 52 4.524 27.138 -0.105 1.00 0.00 H new ATOM 0 HA ARG A 52 4.035 29.552 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.253 28.724 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.040 30.429 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.523 28.524 0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.308 29.472 -0.536 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.669 30.605 1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.420 30.568 1.694 1.00 0.00 H new ATOM 0 HE ARG A 52 6.519 31.887 -0.653 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.501 32.314 2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.490 34.077 2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.506 34.152 -0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.493 35.115 0.709 1.00 0.00 H new ATOM 904 N THR A 53 2.312 29.228 -1.656 1.00 0.00 N ATOM 905 CA THR A 53 1.153 29.733 -2.381 1.00 0.00 C ATOM 906 C THR A 53 -0.139 29.431 -1.631 1.00 0.00 C ATOM 907 O THR A 53 -0.814 30.340 -1.145 1.00 0.00 O ATOM 908 CB THR A 53 1.067 29.125 -3.794 1.00 0.00 C ATOM 909 OG1 THR A 53 2.377 29.015 -4.361 1.00 0.00 O ATOM 910 CG2 THR A 53 0.188 29.978 -4.697 1.00 0.00 C ATOM 0 H THR A 53 2.793 28.454 -2.115 1.00 0.00 H new ATOM 0 HA THR A 53 1.277 30.813 -2.464 1.00 0.00 H new ATOM 0 HB THR A 53 0.623 28.133 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.766 28.148 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.142 29.529 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.817 30.036 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.608 30.981 -4.772 1.00 0.00 H new