USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 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 17 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0437) USER MOD Single : A 21 THR OG1 : rot 69:sc= 0.933 USER MOD Single : A 25 TYR OH : rot 179:sc= -0.018 USER MOD Single : A 27 CYS SG : rot 65:sc= 0.206 USER MOD Single : A 29 CYS SG : rot 114:sc= -0.378 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= -0.103 (180deg=-1.01) USER MOD Single : A 37 SER OG : rot -36:sc= 0.703 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -167:sc= -7.58! (180deg=-8.07!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.562 K(o=-0.56,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-9.2!) USER MOD Single : A 70 ASN : amide:sc= -0.0394 X(o=-0.039,f=0.37) USER MOD Single : A 71 TYR OH : rot -5:sc= -0.683 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -2.12! K(o=-2.1!,f=-0.36) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 58:sc= 0.42 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 9.776 27.399 -4.900 1.00 0.00 N ATOM 133 CA VAL A 13 10.254 26.225 -4.180 1.00 0.00 C ATOM 134 C VAL A 13 9.351 25.902 -2.994 1.00 0.00 C ATOM 135 O VAL A 13 9.330 24.772 -2.509 1.00 0.00 O ATOM 136 CB VAL A 13 11.695 26.424 -3.675 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.823 27.746 -2.932 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.113 25.262 -2.787 1.00 0.00 C ATOM 0 HA VAL A 13 10.236 25.393 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 13 12.363 26.452 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.848 27.869 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.567 28.566 -3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.146 27.751 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.134 25.419 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.443 25.200 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.062 24.333 -3.355 1.00 0.00 H new ATOM 148 N GLU A 14 8.608 26.904 -2.534 1.00 0.00 N ATOM 149 CA GLU A 14 7.703 26.726 -1.404 1.00 0.00 C ATOM 150 C GLU A 14 6.450 25.963 -1.826 1.00 0.00 C ATOM 151 O GLU A 14 6.207 24.846 -1.367 1.00 0.00 O ATOM 152 CB GLU A 14 7.312 28.083 -0.816 1.00 0.00 C ATOM 153 CG GLU A 14 6.562 27.982 0.500 1.00 0.00 C ATOM 154 CD GLU A 14 6.785 29.188 1.394 1.00 0.00 C ATOM 155 OE1 GLU A 14 7.008 30.292 0.855 1.00 0.00 O ATOM 156 OE2 GLU A 14 6.734 29.026 2.631 1.00 0.00 O ATOM 0 H GLU A 14 8.615 27.846 -2.926 1.00 0.00 H new ATOM 0 HA GLU A 14 8.223 26.145 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.213 28.678 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.693 28.617 -1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.496 27.876 0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.878 27.081 1.026 1.00 0.00 H new ATOM 163 N ILE A 15 5.659 26.573 -2.700 1.00 0.00 N ATOM 164 CA ILE A 15 4.431 25.953 -3.184 1.00 0.00 C ATOM 165 C ILE A 15 4.688 24.526 -3.658 1.00 0.00 C ATOM 166 O ILE A 15 3.814 23.665 -3.565 1.00 0.00 O ATOM 167 CB ILE A 15 3.808 26.761 -4.338 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.297 26.523 -4.397 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.461 26.387 -5.660 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.596 27.355 -5.447 1.00 0.00 C ATOM 0 H ILE A 15 5.846 27.497 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 15 3.734 25.937 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 15 3.984 27.821 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.111 25.468 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.864 26.744 -3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.010 26.966 -6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.529 26.602 -5.612 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.313 25.324 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.529 27.135 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.751 28.413 -5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.002 27.117 -6.430 1.00 0.00 H new ATOM 182 N GLU A 16 5.893 24.283 -4.165 1.00 0.00 N ATOM 183 CA GLU A 16 6.263 22.960 -4.652 1.00 0.00 C ATOM 184 C GLU A 16 6.565 22.018 -3.490 1.00 0.00 C ATOM 185 O GLU A 16 6.195 20.843 -3.516 1.00 0.00 O ATOM 186 CB GLU A 16 7.480 23.055 -5.575 1.00 0.00 C ATOM 187 CG GLU A 16 7.323 24.080 -6.686 1.00 0.00 C ATOM 188 CD GLU A 16 6.660 23.505 -7.921 1.00 0.00 C ATOM 189 OE1 GLU A 16 7.106 22.437 -8.391 1.00 0.00 O ATOM 190 OE2 GLU A 16 5.694 24.121 -8.418 1.00 0.00 O ATOM 0 H GLU A 16 6.629 24.985 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 16 5.420 22.558 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.358 23.308 -4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.666 22.077 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.733 24.920 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.304 24.472 -6.954 1.00 0.00 H new ATOM 197 N THR A 17 7.241 22.540 -2.471 1.00 0.00 N ATOM 198 CA THR A 17 7.595 21.746 -1.302 1.00 0.00 C ATOM 199 C THR A 17 6.352 21.341 -0.517 1.00 0.00 C ATOM 200 O THR A 17 6.297 20.253 0.059 1.00 0.00 O ATOM 201 CB THR A 17 8.549 22.515 -0.369 1.00 0.00 C ATOM 202 OG1 THR A 17 9.857 22.576 -0.948 1.00 0.00 O ATOM 203 CG2 THR A 17 8.623 21.849 0.997 1.00 0.00 C ATOM 0 H THR A 17 7.554 23.510 -2.432 1.00 0.00 H new ATOM 0 HA THR A 17 8.099 20.851 -1.668 1.00 0.00 H new ATOM 0 HB THR A 17 8.162 23.526 -0.242 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.897 23.317 -1.588 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.303 22.410 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.631 21.831 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.989 20.828 0.885 1.00 0.00 H new ATOM 211 N LEU A 18 5.358 22.220 -0.497 1.00 0.00 N ATOM 212 CA LEU A 18 4.114 21.953 0.217 1.00 0.00 C ATOM 213 C LEU A 18 3.384 20.758 -0.387 1.00 0.00 C ATOM 214 O LEU A 18 2.848 19.916 0.334 1.00 0.00 O ATOM 215 CB LEU A 18 3.209 23.186 0.186 1.00 0.00 C ATOM 216 CG LEU A 18 3.496 24.256 1.239 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.649 25.494 0.987 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.242 23.710 2.636 1.00 0.00 C ATOM 0 H LEU A 18 5.388 23.125 -0.967 1.00 0.00 H new ATOM 0 HA LEU A 18 4.363 21.718 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.287 23.645 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.176 22.857 0.303 1.00 0.00 H new ATOM 0 HG LEU A 18 4.546 24.538 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.867 26.245 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.879 25.898 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.593 25.228 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.451 24.485 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.201 23.400 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.892 22.853 2.816 1.00 0.00 H new ATOM 230 N ARG A 19 3.371 20.688 -1.715 1.00 0.00 N ATOM 231 CA ARG A 19 2.709 19.596 -2.416 1.00 0.00 C ATOM 232 C ARG A 19 3.390 18.264 -2.113 1.00 0.00 C ATOM 233 O ARG A 19 2.728 17.238 -1.951 1.00 0.00 O ATOM 234 CB ARG A 19 2.714 19.852 -3.924 1.00 0.00 C ATOM 235 CG ARG A 19 1.763 20.955 -4.357 1.00 0.00 C ATOM 236 CD ARG A 19 1.924 21.282 -5.834 1.00 0.00 C ATOM 237 NE ARG A 19 1.029 22.355 -6.258 1.00 0.00 N ATOM 238 CZ ARG A 19 0.744 22.615 -7.529 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.280 21.883 -8.495 1.00 0.00 N ATOM 240 NH2 ARG A 19 -0.081 23.608 -7.836 1.00 0.00 N ATOM 0 H ARG A 19 3.812 21.375 -2.326 1.00 0.00 H new ATOM 0 HA ARG A 19 1.678 19.545 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.725 20.112 -4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.448 18.930 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.735 20.649 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.948 21.850 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.956 21.572 -6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.725 20.389 -6.427 1.00 0.00 H new ATOM 0 HE ARG A 19 0.599 22.937 -5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.913 21.118 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.059 22.085 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.497 24.173 -7.096 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.299 23.807 -8.812 1.00 0.00 H new ATOM 254 N LYS A 20 4.716 18.286 -2.038 1.00 0.00 N ATOM 255 CA LYS A 20 5.487 17.083 -1.754 1.00 0.00 C ATOM 256 C LYS A 20 5.268 16.622 -0.317 1.00 0.00 C ATOM 257 O LYS A 20 5.127 15.427 -0.051 1.00 0.00 O ATOM 258 CB LYS A 20 6.977 17.338 -1.997 1.00 0.00 C ATOM 259 CG LYS A 20 7.418 17.051 -3.422 1.00 0.00 C ATOM 260 CD LYS A 20 7.089 18.207 -4.352 1.00 0.00 C ATOM 261 CE LYS A 20 8.213 19.231 -4.387 1.00 0.00 C ATOM 262 NZ LYS A 20 9.371 18.755 -5.195 1.00 0.00 N ATOM 0 H LYS A 20 5.280 19.126 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 20 5.144 16.296 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.203 18.377 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.559 16.720 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.491 16.862 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.929 16.145 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.910 17.827 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.167 18.688 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.839 20.167 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.542 19.444 -3.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.049 19.533 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.838 17.967 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.036 18.432 -6.125 1.00 0.00 H new ATOM 276 N THR A 21 5.239 17.576 0.608 1.00 0.00 N ATOM 277 CA THR A 21 5.037 17.268 2.018 1.00 0.00 C ATOM 278 C THR A 21 3.703 16.564 2.240 1.00 0.00 C ATOM 279 O THR A 21 3.639 15.532 2.909 1.00 0.00 O ATOM 280 CB THR A 21 5.083 18.542 2.883 1.00 0.00 C ATOM 281 OG1 THR A 21 6.335 19.212 2.703 1.00 0.00 O ATOM 282 CG2 THR A 21 4.890 18.204 4.354 1.00 0.00 C ATOM 0 H THR A 21 5.353 18.569 0.406 1.00 0.00 H new ATOM 0 HA THR A 21 5.849 16.605 2.317 1.00 0.00 H new ATOM 0 HB THR A 21 4.272 19.198 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.383 19.578 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.926 19.119 4.945 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.923 17.721 4.492 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.682 17.530 4.679 1.00 0.00 H new ATOM 290 N VAL A 22 2.640 17.127 1.676 1.00 0.00 N ATOM 291 CA VAL A 22 1.307 16.552 1.812 1.00 0.00 C ATOM 292 C VAL A 22 1.223 15.193 1.125 1.00 0.00 C ATOM 293 O VAL A 22 0.563 14.279 1.618 1.00 0.00 O ATOM 294 CB VAL A 22 0.231 17.481 1.219 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.138 16.822 1.282 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.223 18.818 1.945 1.00 0.00 C ATOM 0 H VAL A 22 2.676 17.981 1.120 1.00 0.00 H new ATOM 0 HA VAL A 22 1.122 16.430 2.879 1.00 0.00 H new ATOM 0 HB VAL A 22 0.471 17.664 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.885 17.494 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.121 15.893 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.391 16.607 2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.543 19.462 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.008 18.657 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.198 19.294 1.841 1.00 0.00 H new ATOM 306 N GLU A 23 1.897 15.068 -0.013 1.00 0.00 N ATOM 307 CA GLU A 23 1.897 13.820 -0.767 1.00 0.00 C ATOM 308 C GLU A 23 2.345 12.654 0.111 1.00 0.00 C ATOM 309 O GLU A 23 1.805 11.552 0.020 1.00 0.00 O ATOM 310 CB GLU A 23 2.815 13.935 -1.986 1.00 0.00 C ATOM 311 CG GLU A 23 2.113 14.456 -3.229 1.00 0.00 C ATOM 312 CD GLU A 23 2.914 14.218 -4.495 1.00 0.00 C ATOM 313 OE1 GLU A 23 3.747 15.080 -4.840 1.00 0.00 O ATOM 314 OE2 GLU A 23 2.705 13.169 -5.139 1.00 0.00 O ATOM 0 H GLU A 23 2.450 15.815 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 23 0.878 13.629 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.646 14.598 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.241 12.956 -2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.141 13.972 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.928 15.524 -3.116 1.00 0.00 H new ATOM 321 N ASP A 24 3.335 12.907 0.960 1.00 0.00 N ATOM 322 CA ASP A 24 3.854 11.880 1.856 1.00 0.00 C ATOM 323 C ASP A 24 2.827 11.520 2.924 1.00 0.00 C ATOM 324 O ASP A 24 2.506 10.347 3.120 1.00 0.00 O ATOM 325 CB ASP A 24 5.149 12.357 2.515 1.00 0.00 C ATOM 326 CG ASP A 24 6.085 11.212 2.847 1.00 0.00 C ATOM 327 OD1 ASP A 24 6.794 10.740 1.933 1.00 0.00 O ATOM 328 OD2 ASP A 24 6.111 10.788 4.022 1.00 0.00 O ATOM 0 H ASP A 24 3.794 13.814 1.047 1.00 0.00 H new ATOM 0 HA ASP A 24 4.063 10.988 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.656 13.056 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.909 12.903 3.428 1.00 0.00 H new ATOM 333 N TYR A 25 2.316 12.533 3.612 1.00 0.00 N ATOM 334 CA TYR A 25 1.328 12.323 4.663 1.00 0.00 C ATOM 335 C TYR A 25 0.290 11.289 4.236 1.00 0.00 C ATOM 336 O TYR A 25 0.158 10.234 4.856 1.00 0.00 O ATOM 337 CB TYR A 25 0.636 13.642 5.013 1.00 0.00 C ATOM 338 CG TYR A 25 0.065 13.674 6.413 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.888 13.858 7.516 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.299 13.518 6.632 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.371 13.888 8.797 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.825 13.546 7.909 1.00 0.00 C ATOM 343 CZ TYR A 25 -0.986 13.731 8.988 1.00 0.00 C ATOM 344 OH TYR A 25 -1.505 13.759 10.262 1.00 0.00 O ATOM 0 H TYR A 25 2.570 13.509 3.461 1.00 0.00 H new ATOM 0 HA TYR A 25 1.847 11.948 5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.350 14.458 4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.167 13.822 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.951 13.980 7.370 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.959 13.372 5.789 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.025 14.034 9.644 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.887 13.424 8.062 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.479 13.658 10.221 1.00 0.00 H new ATOM 354 N PHE A 26 -0.444 11.601 3.174 1.00 0.00 N ATOM 355 CA PHE A 26 -1.471 10.701 2.662 1.00 0.00 C ATOM 356 C PHE A 26 -0.963 9.262 2.629 1.00 0.00 C ATOM 357 O PHE A 26 -1.694 8.327 2.961 1.00 0.00 O ATOM 358 CB PHE A 26 -1.906 11.132 1.260 1.00 0.00 C ATOM 359 CG PHE A 26 -2.651 12.437 1.240 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.644 12.698 2.171 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.360 13.401 0.287 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.330 13.897 2.154 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.043 14.602 0.267 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.030 14.850 1.200 1.00 0.00 C ATOM 0 H PHE A 26 -0.347 12.471 2.650 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.330 10.751 3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.025 11.216 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.538 10.355 0.829 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.884 11.956 2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.591 13.211 -0.448 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.100 14.089 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.805 15.346 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.566 15.787 1.184 1.00 0.00 H new ATOM 374 N CYS A 27 0.290 9.092 2.225 1.00 0.00 N ATOM 375 CA CYS A 27 0.895 7.767 2.147 1.00 0.00 C ATOM 376 C CYS A 27 1.091 7.175 3.539 1.00 0.00 C ATOM 377 O CYS A 27 0.915 5.975 3.746 1.00 0.00 O ATOM 378 CB CYS A 27 2.237 7.839 1.416 1.00 0.00 C ATOM 379 SG CYS A 27 2.177 8.738 -0.151 1.00 0.00 S ATOM 0 H CYS A 27 0.907 9.855 1.946 1.00 0.00 H new ATOM 0 HA CYS A 27 0.220 7.119 1.589 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.969 8.316 2.068 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.591 6.825 1.228 1.00 0.00 H new ATOM 0 HG CYS A 27 1.896 9.987 0.076 1.00 0.00 H new ATOM 385 N PHE A 28 1.460 8.026 4.492 1.00 0.00 N ATOM 386 CA PHE A 28 1.682 7.587 5.864 1.00 0.00 C ATOM 387 C PHE A 28 0.378 7.123 6.506 1.00 0.00 C ATOM 388 O PHE A 28 0.324 6.062 7.130 1.00 0.00 O ATOM 389 CB PHE A 28 2.295 8.719 6.691 1.00 0.00 C ATOM 390 CG PHE A 28 2.013 8.609 8.161 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.167 7.400 8.821 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.593 9.713 8.885 1.00 0.00 C ATOM 393 CE1 PHE A 28 1.908 7.294 10.175 1.00 0.00 C ATOM 394 CE2 PHE A 28 1.333 9.613 10.239 1.00 0.00 C ATOM 395 CZ PHE A 28 1.490 8.402 10.884 1.00 0.00 C ATOM 0 H PHE A 28 1.611 9.023 4.338 1.00 0.00 H new ATOM 0 HA PHE A 28 2.374 6.745 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.374 8.728 6.536 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.913 9.672 6.326 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.493 6.530 8.271 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.467 10.662 8.386 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.033 6.346 10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.007 10.481 10.792 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.286 8.322 11.942 1.00 0.00 H new ATOM 405 N CYS A 29 -0.670 7.924 6.347 1.00 0.00 N ATOM 406 CA CYS A 29 -1.974 7.596 6.910 1.00 0.00 C ATOM 407 C CYS A 29 -2.538 6.328 6.278 1.00 0.00 C ATOM 408 O CYS A 29 -3.117 5.485 6.963 1.00 0.00 O ATOM 409 CB CYS A 29 -2.947 8.758 6.707 1.00 0.00 C ATOM 410 SG CYS A 29 -2.435 10.299 7.504 1.00 0.00 S ATOM 0 H CYS A 29 -0.642 8.805 5.833 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.846 7.420 7.978 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.065 8.936 5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.925 8.470 7.092 1.00 0.00 H new ATOM 0 HG CYS A 29 -2.169 11.190 6.595 1.00 0.00 H new ATOM 416 N TYR A 30 -2.366 6.201 4.967 1.00 0.00 N ATOM 417 CA TYR A 30 -2.861 5.038 4.240 1.00 0.00 C ATOM 418 C TYR A 30 -2.114 3.775 4.659 1.00 0.00 C ATOM 419 O TYR A 30 -2.719 2.799 5.100 1.00 0.00 O ATOM 420 CB TYR A 30 -2.716 5.252 2.733 1.00 0.00 C ATOM 421 CG TYR A 30 -3.214 4.088 1.905 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.401 3.440 2.225 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.498 3.637 0.804 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.860 2.376 1.473 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.950 2.575 0.045 1.00 0.00 C ATOM 426 CZ TYR A 30 -4.130 1.948 0.384 1.00 0.00 C ATOM 427 OH TYR A 30 -4.583 0.888 -0.369 1.00 0.00 O ATOM 0 H TYR A 30 -1.887 6.889 4.386 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.916 4.912 4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.263 6.150 2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.666 5.431 2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.975 3.774 3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.572 4.125 0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.784 1.883 1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.382 2.238 -0.809 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.954 0.714 -1.100 1.00 0.00 H new ATOM 437 N GLY A 31 -0.792 3.804 4.521 1.00 0.00 N ATOM 438 CA GLY A 31 0.018 2.657 4.889 1.00 0.00 C ATOM 439 C GLY A 31 -0.087 2.323 6.364 1.00 0.00 C ATOM 440 O GLY A 31 0.045 1.164 6.757 1.00 0.00 O ATOM 0 H GLY A 31 -0.267 4.601 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.292 1.793 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.060 2.856 4.638 1.00 0.00 H new ATOM 444 N LYS A 32 -0.324 3.341 7.184 1.00 0.00 N ATOM 445 CA LYS A 32 -0.447 3.151 8.625 1.00 0.00 C ATOM 446 C LYS A 32 -1.726 2.394 8.967 1.00 0.00 C ATOM 447 O LYS A 32 -1.722 1.504 9.816 1.00 0.00 O ATOM 448 CB LYS A 32 -0.436 4.504 9.340 1.00 0.00 C ATOM 449 CG LYS A 32 -0.958 4.442 10.765 1.00 0.00 C ATOM 450 CD LYS A 32 -2.471 4.575 10.809 1.00 0.00 C ATOM 451 CE LYS A 32 -2.936 5.220 12.107 1.00 0.00 C ATOM 452 NZ LYS A 32 -2.970 4.243 13.231 1.00 0.00 N ATOM 0 H LYS A 32 -0.435 4.307 6.875 1.00 0.00 H new ATOM 0 HA LYS A 32 0.405 2.561 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.583 4.891 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.040 5.211 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.661 3.498 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.504 5.238 11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.810 5.173 9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.927 3.590 10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.270 6.044 12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.929 5.646 11.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.292 4.721 14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.625 3.469 12.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.017 3.856 13.383 1.00 0.00 H new ATOM 466 N ALA A 33 -2.817 2.753 8.299 1.00 0.00 N ATOM 467 CA ALA A 33 -4.102 2.104 8.530 1.00 0.00 C ATOM 468 C ALA A 33 -4.097 0.673 8.002 1.00 0.00 C ATOM 469 O ALA A 33 -4.838 -0.181 8.491 1.00 0.00 O ATOM 470 CB ALA A 33 -5.221 2.905 7.881 1.00 0.00 C ATOM 0 H ALA A 33 -2.837 3.490 7.594 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.274 2.065 9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.175 2.409 8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.246 3.907 8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.044 2.973 6.808 1.00 0.00 H new ATOM 476 N LEU A 34 -3.260 0.419 7.004 1.00 0.00 N ATOM 477 CA LEU A 34 -3.159 -0.910 6.409 1.00 0.00 C ATOM 478 C LEU A 34 -2.562 -1.905 7.398 1.00 0.00 C ATOM 479 O LEU A 34 -2.883 -3.092 7.369 1.00 0.00 O ATOM 480 CB LEU A 34 -2.305 -0.859 5.141 1.00 0.00 C ATOM 481 CG LEU A 34 -3.055 -0.574 3.838 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.084 -0.151 2.745 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.850 -1.795 3.403 1.00 0.00 C ATOM 0 H LEU A 34 -2.641 1.115 6.589 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.164 -1.242 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.541 -0.093 5.272 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.786 -1.812 5.037 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.752 0.245 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.635 0.048 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.558 0.752 3.055 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.363 -0.949 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.377 -1.574 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.172 -2.633 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.572 -2.054 4.177 1.00 0.00 H new ATOM 495 N GLY A 35 -1.693 -1.412 8.275 1.00 0.00 N ATOM 496 CA GLY A 35 -1.067 -2.272 9.262 1.00 0.00 C ATOM 497 C GLY A 35 0.323 -2.714 8.848 1.00 0.00 C ATOM 498 O GLY A 35 0.821 -3.738 9.314 1.00 0.00 O ATOM 0 H GLY A 35 -1.411 -0.433 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.009 -1.745 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.692 -3.151 9.422 1.00 0.00 H new ATOM 502 N LYS A 36 0.950 -1.941 7.968 1.00 0.00 N ATOM 503 CA LYS A 36 2.290 -2.258 7.489 1.00 0.00 C ATOM 504 C LYS A 36 3.346 -1.503 8.290 1.00 0.00 C ATOM 505 O LYS A 36 3.021 -0.728 9.189 1.00 0.00 O ATOM 506 CB LYS A 36 2.419 -1.913 6.004 1.00 0.00 C ATOM 507 CG LYS A 36 1.256 -2.411 5.162 1.00 0.00 C ATOM 508 CD LYS A 36 1.715 -2.848 3.780 1.00 0.00 C ATOM 509 CE LYS A 36 1.995 -1.653 2.882 1.00 0.00 C ATOM 510 NZ LYS A 36 2.864 -2.018 1.729 1.00 0.00 N ATOM 0 H LYS A 36 0.551 -1.090 7.572 1.00 0.00 H new ATOM 0 HA LYS A 36 2.453 -3.328 7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.498 -0.831 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.345 -2.340 5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.772 -3.247 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.511 -1.621 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.615 -3.456 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.950 -3.476 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.053 -1.247 2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.475 -0.866 3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.634 -1.325 1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.266 -2.965 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.299 -2.020 0.856 1.00 0.00 H new ATOM 524 N SER A 37 4.613 -1.733 7.956 1.00 0.00 N ATOM 525 CA SER A 37 5.717 -1.076 8.645 1.00 0.00 C ATOM 526 C SER A 37 6.361 -0.018 7.754 1.00 0.00 C ATOM 527 O SER A 37 7.381 0.573 8.109 1.00 0.00 O ATOM 528 CB SER A 37 6.763 -2.105 9.073 1.00 0.00 C ATOM 529 OG SER A 37 7.794 -1.500 9.835 1.00 0.00 O ATOM 0 H SER A 37 4.899 -2.370 7.212 1.00 0.00 H new ATOM 0 HA SER A 37 5.318 -0.584 9.532 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.286 -2.890 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.191 -2.582 8.191 1.00 0.00 H new ATOM 0 HG SER A 37 7.977 -0.604 9.484 1.00 0.00 H new ATOM 535 N THR A 38 5.758 0.216 6.593 1.00 0.00 N ATOM 536 CA THR A 38 6.271 1.201 5.650 1.00 0.00 C ATOM 537 C THR A 38 5.143 2.041 5.062 1.00 0.00 C ATOM 538 O THR A 38 3.977 1.649 5.105 1.00 0.00 O ATOM 539 CB THR A 38 7.047 0.528 4.502 1.00 0.00 C ATOM 540 OG1 THR A 38 6.188 -0.374 3.794 1.00 0.00 O ATOM 541 CG2 THR A 38 8.255 -0.227 5.035 1.00 0.00 C ATOM 0 H THR A 38 4.913 -0.264 6.283 1.00 0.00 H new ATOM 0 HA THR A 38 6.949 1.848 6.207 1.00 0.00 H new ATOM 0 HB THR A 38 7.396 1.306 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.688 -0.797 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.787 -0.694 4.206 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.920 0.467 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.924 -0.996 5.733 1.00 0.00 H new ATOM 549 N VAL A 39 5.497 3.198 4.511 1.00 0.00 N ATOM 550 CA VAL A 39 4.514 4.093 3.913 1.00 0.00 C ATOM 551 C VAL A 39 4.121 3.622 2.517 1.00 0.00 C ATOM 552 O VAL A 39 4.972 3.229 1.719 1.00 0.00 O ATOM 553 CB VAL A 39 5.047 5.535 3.825 1.00 0.00 C ATOM 554 CG1 VAL A 39 4.860 6.255 5.152 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.511 5.537 3.411 1.00 0.00 C ATOM 0 H VAL A 39 6.458 3.537 4.467 1.00 0.00 H new ATOM 0 HA VAL A 39 3.637 4.077 4.560 1.00 0.00 H new ATOM 0 HB VAL A 39 4.477 6.069 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.242 7.272 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.800 6.285 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.404 5.724 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.872 6.564 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.098 4.987 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.614 5.061 2.436 1.00 0.00 H new ATOM 565 N VAL A 40 2.824 3.666 2.227 1.00 0.00 N ATOM 566 CA VAL A 40 2.317 3.246 0.926 1.00 0.00 C ATOM 567 C VAL A 40 1.756 4.429 0.147 1.00 0.00 C ATOM 568 O VAL A 40 1.062 5.289 0.690 1.00 0.00 O ATOM 569 CB VAL A 40 1.221 2.173 1.071 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.741 1.712 -0.296 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.730 0.998 1.891 1.00 0.00 C ATOM 0 H VAL A 40 2.106 3.988 2.876 1.00 0.00 H new ATOM 0 HA VAL A 40 3.159 2.822 0.379 1.00 0.00 H new ATOM 0 HB VAL A 40 0.374 2.613 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.033 0.954 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.333 2.561 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.578 1.289 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.942 0.250 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.594 0.556 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.019 1.345 2.883 1.00 0.00 H new ATOM 581 N PRO A 41 2.061 4.476 -1.158 1.00 0.00 N ATOM 582 CA PRO A 41 1.595 5.550 -2.042 1.00 0.00 C ATOM 583 C PRO A 41 0.094 5.483 -2.295 1.00 0.00 C ATOM 584 O PRO A 41 -0.429 4.452 -2.721 1.00 0.00 O ATOM 585 CB PRO A 41 2.368 5.301 -3.340 1.00 0.00 C ATOM 586 CG PRO A 41 2.685 3.845 -3.319 1.00 0.00 C ATOM 587 CD PRO A 41 2.883 3.485 -1.872 1.00 0.00 C ATOM 0 HA PRO A 41 1.766 6.536 -1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.771 5.564 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.276 5.903 -3.382 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.875 3.263 -3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.582 3.633 -3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.556 2.466 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.932 3.549 -1.582 1.00 0.00 H new ATOM 595 N VAL A 42 -0.598 6.587 -2.030 1.00 0.00 N ATOM 596 CA VAL A 42 -2.039 6.654 -2.231 1.00 0.00 C ATOM 597 C VAL A 42 -2.388 6.669 -3.716 1.00 0.00 C ATOM 598 O VAL A 42 -2.110 7.628 -4.434 1.00 0.00 O ATOM 599 CB VAL A 42 -2.643 7.902 -1.562 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.151 7.936 -1.753 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.284 7.940 -0.083 1.00 0.00 C ATOM 0 H VAL A 42 -0.182 7.448 -1.675 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.463 5.762 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.221 8.787 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.559 8.826 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.382 7.960 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.595 7.047 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.719 8.829 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.676 7.050 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.200 7.969 0.028 1.00 0.00 H new ATOM 611 N PRO A 43 -3.013 5.579 -4.188 1.00 0.00 N ATOM 612 CA PRO A 43 -3.413 5.442 -5.590 1.00 0.00 C ATOM 613 C PRO A 43 -4.558 6.379 -5.960 1.00 0.00 C ATOM 614 O PRO A 43 -5.719 5.968 -6.009 1.00 0.00 O ATOM 615 CB PRO A 43 -3.864 3.983 -5.690 1.00 0.00 C ATOM 616 CG PRO A 43 -4.276 3.617 -4.305 1.00 0.00 C ATOM 617 CD PRO A 43 -3.376 4.397 -3.387 1.00 0.00 C ATOM 0 HA PRO A 43 -2.602 5.700 -6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.691 3.872 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.057 3.343 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.323 3.866 -4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.171 2.545 -4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.887 4.677 -2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.497 3.820 -3.101 1.00 0.00 H new ATOM 625 N TYR A 44 -4.226 7.639 -6.220 1.00 0.00 N ATOM 626 CA TYR A 44 -5.227 8.634 -6.583 1.00 0.00 C ATOM 627 C TYR A 44 -6.078 8.149 -7.752 1.00 0.00 C ATOM 628 O TYR A 44 -7.307 8.137 -7.676 1.00 0.00 O ATOM 629 CB TYR A 44 -4.552 9.959 -6.944 1.00 0.00 C ATOM 630 CG TYR A 44 -3.628 10.480 -5.867 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.109 11.284 -4.841 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.274 10.169 -5.875 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.268 11.764 -3.855 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.426 10.643 -4.892 1.00 0.00 C ATOM 635 CZ TYR A 44 -1.928 11.440 -3.885 1.00 0.00 C ATOM 636 OH TYR A 44 -1.087 11.914 -2.904 1.00 0.00 O ATOM 0 H TYR A 44 -3.271 7.995 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.878 8.788 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.985 9.829 -7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.320 10.706 -7.145 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.158 11.538 -4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.877 9.546 -6.663 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.658 12.389 -3.066 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.376 10.391 -4.912 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.176 11.593 -3.071 1.00 0.00 H new ATOM 646 N GLU A 45 -5.416 7.750 -8.833 1.00 0.00 N ATOM 647 CA GLU A 45 -6.111 7.265 -10.019 1.00 0.00 C ATOM 648 C GLU A 45 -7.185 6.249 -9.642 1.00 0.00 C ATOM 649 O GLU A 45 -8.344 6.377 -10.038 1.00 0.00 O ATOM 650 CB GLU A 45 -5.118 6.633 -10.997 1.00 0.00 C ATOM 651 CG GLU A 45 -5.781 5.883 -12.139 1.00 0.00 C ATOM 652 CD GLU A 45 -4.918 5.833 -13.384 1.00 0.00 C ATOM 653 OE1 GLU A 45 -4.027 4.960 -13.455 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.133 6.666 -14.289 1.00 0.00 O ATOM 0 H GLU A 45 -4.399 7.753 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.592 8.116 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.480 7.415 -11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.470 5.947 -10.451 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.008 4.866 -11.818 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.731 6.361 -12.379 1.00 0.00 H new ATOM 661 N LYS A 46 -6.792 5.239 -8.873 1.00 0.00 N ATOM 662 CA LYS A 46 -7.719 4.200 -8.440 1.00 0.00 C ATOM 663 C LYS A 46 -8.782 4.773 -7.507 1.00 0.00 C ATOM 664 O LYS A 46 -9.973 4.739 -7.813 1.00 0.00 O ATOM 665 CB LYS A 46 -6.962 3.072 -7.736 1.00 0.00 C ATOM 666 CG LYS A 46 -5.758 2.570 -8.514 1.00 0.00 C ATOM 667 CD LYS A 46 -5.468 1.109 -8.212 1.00 0.00 C ATOM 668 CE LYS A 46 -6.492 0.192 -8.863 1.00 0.00 C ATOM 669 NZ LYS A 46 -6.092 -0.193 -10.245 1.00 0.00 N ATOM 0 H LYS A 46 -5.837 5.118 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.214 3.799 -9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.632 3.422 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.645 2.240 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.937 2.693 -9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.885 3.174 -8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.470 0.854 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.471 0.952 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.613 -0.706 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.461 0.691 -8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.815 -0.818 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.001 0.661 -10.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.180 -0.692 -10.216 1.00 0.00 H new ATOM 683 N MET A 47 -8.340 5.300 -6.369 1.00 0.00 N ATOM 684 CA MET A 47 -9.254 5.883 -5.393 1.00 0.00 C ATOM 685 C MET A 47 -10.306 6.747 -6.082 1.00 0.00 C ATOM 686 O MET A 47 -11.471 6.762 -5.680 1.00 0.00 O ATOM 687 CB MET A 47 -8.479 6.720 -4.374 1.00 0.00 C ATOM 688 CG MET A 47 -7.833 5.892 -3.274 1.00 0.00 C ATOM 689 SD MET A 47 -6.971 6.906 -2.058 1.00 0.00 S ATOM 690 CE MET A 47 -8.351 7.558 -1.120 1.00 0.00 C ATOM 0 H MET A 47 -7.357 5.335 -6.101 1.00 0.00 H new ATOM 0 HA MET A 47 -9.760 5.069 -4.875 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.706 7.286 -4.894 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.155 7.445 -3.922 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.599 5.301 -2.772 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.129 5.189 -3.719 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.006 8.375 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.114 7.927 -1.805 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.773 6.769 -0.498 1.00 0.00 H new ATOM 700 N LEU A 48 -9.890 7.464 -7.119 1.00 0.00 N ATOM 701 CA LEU A 48 -10.797 8.330 -7.864 1.00 0.00 C ATOM 702 C LEU A 48 -12.004 7.547 -8.372 1.00 0.00 C ATOM 703 O LEU A 48 -13.132 8.039 -8.342 1.00 0.00 O ATOM 704 CB LEU A 48 -10.064 8.979 -9.039 1.00 0.00 C ATOM 705 CG LEU A 48 -9.201 10.195 -8.703 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.342 10.587 -9.895 1.00 0.00 C ATOM 707 CD2 LEU A 48 -10.073 11.364 -8.264 1.00 0.00 C ATOM 0 H LEU A 48 -8.930 7.463 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.151 9.110 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.429 8.226 -9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.803 9.278 -9.782 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.541 9.930 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.735 11.454 -9.636 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.691 9.755 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.984 10.833 -10.741 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.442 12.221 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.759 11.629 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.644 11.080 -7.380 1.00 0.00 H new ATOM 719 N ARG A 49 -11.758 6.327 -8.836 1.00 0.00 N ATOM 720 CA ARG A 49 -12.825 5.475 -9.349 1.00 0.00 C ATOM 721 C ARG A 49 -13.548 4.764 -8.210 1.00 0.00 C ATOM 722 O ARG A 49 -14.771 4.618 -8.233 1.00 0.00 O ATOM 723 CB ARG A 49 -12.258 4.447 -10.330 1.00 0.00 C ATOM 724 CG ARG A 49 -11.049 4.946 -11.105 1.00 0.00 C ATOM 725 CD ARG A 49 -10.862 4.175 -12.402 1.00 0.00 C ATOM 726 NE ARG A 49 -10.663 2.747 -12.167 1.00 0.00 N ATOM 727 CZ ARG A 49 -10.155 1.917 -13.072 1.00 0.00 C ATOM 728 NH1 ARG A 49 -9.798 2.371 -14.266 1.00 0.00 N ATOM 729 NH2 ARG A 49 -10.004 0.632 -12.783 1.00 0.00 N ATOM 0 H ARG A 49 -10.830 5.906 -8.868 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.542 6.108 -9.871 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.981 3.548 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.038 4.162 -11.035 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.169 6.007 -11.325 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.155 4.847 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.735 4.319 -13.038 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.004 4.576 -12.942 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.928 2.366 -11.259 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.913 3.359 -14.491 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.408 1.732 -14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.278 0.280 -11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.614 -0.005 -13.478 1.00 0.00 H new ATOM 743 N ASP A 50 -12.785 4.323 -7.216 1.00 0.00 N ATOM 744 CA ASP A 50 -13.353 3.627 -6.067 1.00 0.00 C ATOM 745 C ASP A 50 -12.925 4.292 -4.763 1.00 0.00 C ATOM 746 O ASP A 50 -12.004 3.828 -4.092 1.00 0.00 O ATOM 747 CB ASP A 50 -12.924 2.159 -6.070 1.00 0.00 C ATOM 748 CG ASP A 50 -13.926 1.261 -5.372 1.00 0.00 C ATOM 749 OD1 ASP A 50 -14.352 1.605 -4.250 1.00 0.00 O ATOM 750 OD2 ASP A 50 -14.287 0.214 -5.950 1.00 0.00 O ATOM 0 H ASP A 50 -11.772 4.435 -7.183 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.439 3.680 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.795 1.823 -7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.955 2.066 -5.581 1.00 0.00 H new ATOM 755 N GLN A 51 -13.600 5.382 -4.411 1.00 0.00 N ATOM 756 CA GLN A 51 -13.289 6.111 -3.188 1.00 0.00 C ATOM 757 C GLN A 51 -13.650 5.289 -1.956 1.00 0.00 C ATOM 758 O GLN A 51 -13.142 5.534 -0.862 1.00 0.00 O ATOM 759 CB GLN A 51 -14.035 7.447 -3.161 1.00 0.00 C ATOM 760 CG GLN A 51 -13.759 8.323 -4.372 1.00 0.00 C ATOM 761 CD GLN A 51 -14.080 9.783 -4.121 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.001 10.109 -3.372 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.319 10.673 -4.749 1.00 0.00 N ATOM 0 H GLN A 51 -14.365 5.779 -4.956 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.216 6.302 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.106 7.254 -3.099 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.756 7.991 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.710 8.229 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.348 7.965 -5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.566 10.359 -5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.488 11.670 -4.619 1.00 0.00 H new ATOM 772 N SER A 52 -14.531 4.311 -2.141 1.00 0.00 N ATOM 773 CA SER A 52 -14.963 3.454 -1.043 1.00 0.00 C ATOM 774 C SER A 52 -13.788 2.668 -0.472 1.00 0.00 C ATOM 775 O SER A 52 -13.491 2.752 0.719 1.00 0.00 O ATOM 776 CB SER A 52 -16.053 2.490 -1.520 1.00 0.00 C ATOM 777 OG SER A 52 -16.870 2.072 -0.441 1.00 0.00 O ATOM 0 H SER A 52 -14.959 4.092 -3.040 1.00 0.00 H new ATOM 0 HA SER A 52 -15.368 4.090 -0.256 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.667 2.976 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.594 1.621 -1.991 1.00 0.00 H new ATOM 0 HG SER A 52 -17.559 1.459 -0.771 1.00 0.00 H new ATOM 783 N ALA A 53 -13.121 1.904 -1.332 1.00 0.00 N ATOM 784 CA ALA A 53 -11.976 1.105 -0.914 1.00 0.00 C ATOM 785 C ALA A 53 -11.215 1.784 0.219 1.00 0.00 C ATOM 786 O ALA A 53 -10.709 1.122 1.126 1.00 0.00 O ATOM 787 CB ALA A 53 -11.051 0.850 -2.095 1.00 0.00 C ATOM 0 H ALA A 53 -13.354 1.822 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.348 0.149 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.200 0.252 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.594 0.314 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.695 1.801 -2.491 1.00 0.00 H new ATOM 793 N VAL A 54 -11.136 3.110 0.161 1.00 0.00 N ATOM 794 CA VAL A 54 -10.437 3.880 1.183 1.00 0.00 C ATOM 795 C VAL A 54 -11.030 5.277 1.320 1.00 0.00 C ATOM 796 O VAL A 54 -11.063 6.048 0.360 1.00 0.00 O ATOM 797 CB VAL A 54 -8.935 4.001 0.864 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.181 4.575 2.054 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.365 2.649 0.463 1.00 0.00 C ATOM 0 H VAL A 54 -11.548 3.673 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.560 3.343 2.124 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.814 4.684 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.122 4.653 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.573 5.564 2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.308 3.919 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.303 2.753 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.497 1.941 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.886 2.282 -0.421 1.00 0.00 H new ATOM 809 N VAL A 55 -11.501 5.599 2.521 1.00 0.00 N ATOM 810 CA VAL A 55 -12.093 6.905 2.786 1.00 0.00 C ATOM 811 C VAL A 55 -11.098 7.828 3.481 1.00 0.00 C ATOM 812 O VAL A 55 -10.142 7.370 4.107 1.00 0.00 O ATOM 813 CB VAL A 55 -13.357 6.782 3.656 1.00 0.00 C ATOM 814 CG1 VAL A 55 -14.076 8.120 3.745 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.281 5.707 3.104 1.00 0.00 C ATOM 0 H VAL A 55 -11.484 4.973 3.326 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.366 7.331 1.821 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.057 6.490 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.967 8.014 4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.412 8.861 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.365 8.445 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.169 5.634 3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.575 5.967 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.761 4.749 3.097 1.00 0.00 H new ATOM 825 N VAL A 56 -11.331 9.132 3.367 1.00 0.00 N ATOM 826 CA VAL A 56 -10.456 10.121 3.986 1.00 0.00 C ATOM 827 C VAL A 56 -11.246 11.069 4.881 1.00 0.00 C ATOM 828 O VAL A 56 -12.196 11.712 4.435 1.00 0.00 O ATOM 829 CB VAL A 56 -9.701 10.945 2.925 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.668 11.846 3.585 1.00 0.00 C ATOM 831 CG2 VAL A 56 -9.044 10.025 1.906 1.00 0.00 C ATOM 0 H VAL A 56 -12.118 9.528 2.852 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.734 9.571 4.590 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.418 11.577 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.145 12.420 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.167 12.528 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.951 11.236 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.515 10.623 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.338 9.367 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.808 9.425 1.411 1.00 0.00 H new ATOM 841 N GLN A 57 -10.846 11.151 6.146 1.00 0.00 N ATOM 842 CA GLN A 57 -11.516 12.021 7.104 1.00 0.00 C ATOM 843 C GLN A 57 -10.567 13.097 7.620 1.00 0.00 C ATOM 844 O GLN A 57 -9.352 12.906 7.646 1.00 0.00 O ATOM 845 CB GLN A 57 -12.061 11.201 8.275 1.00 0.00 C ATOM 846 CG GLN A 57 -13.208 10.279 7.891 1.00 0.00 C ATOM 847 CD GLN A 57 -13.865 9.634 9.094 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.247 9.484 10.148 1.00 0.00 O ATOM 849 NE2 GLN A 57 -15.127 9.247 8.943 1.00 0.00 N ATOM 0 H GLN A 57 -10.061 10.625 6.531 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.346 12.510 6.594 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.252 10.605 8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.398 11.881 9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.954 10.846 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.836 9.501 7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.601 9.391 8.052 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.622 8.806 9.719 1.00 0.00 H new ATOM 858 N GLY A 58 -11.130 14.229 8.030 1.00 0.00 N ATOM 859 CA GLY A 58 -10.320 15.320 8.539 1.00 0.00 C ATOM 860 C GLY A 58 -10.090 16.404 7.505 1.00 0.00 C ATOM 861 O GLY A 58 -9.245 17.281 7.691 1.00 0.00 O ATOM 0 H GLY A 58 -12.134 14.410 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.807 15.753 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.358 14.930 8.871 1.00 0.00 H new ATOM 865 N LEU A 59 -10.842 16.345 6.412 1.00 0.00 N ATOM 866 CA LEU A 59 -10.716 17.329 5.343 1.00 0.00 C ATOM 867 C LEU A 59 -11.556 18.566 5.639 1.00 0.00 C ATOM 868 O LEU A 59 -12.539 18.517 6.379 1.00 0.00 O ATOM 869 CB LEU A 59 -11.142 16.717 4.007 1.00 0.00 C ATOM 870 CG LEU A 59 -10.103 15.837 3.310 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.524 15.548 1.878 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.734 16.500 3.343 1.00 0.00 C ATOM 0 H LEU A 59 -11.546 15.626 6.243 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.670 17.630 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.040 16.122 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.416 17.526 3.330 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.038 14.890 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.773 14.921 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.483 15.030 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.618 16.486 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.007 15.860 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.783 17.462 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.429 16.654 4.378 1.00 0.00 H new ATOM 884 N PRO A 60 -11.166 19.704 5.046 1.00 0.00 N ATOM 885 CA PRO A 60 -11.871 20.976 5.230 1.00 0.00 C ATOM 886 C PRO A 60 -13.240 20.982 4.557 1.00 0.00 C ATOM 887 O PRO A 60 -13.636 20.001 3.928 1.00 0.00 O ATOM 888 CB PRO A 60 -10.945 21.995 4.563 1.00 0.00 C ATOM 889 CG PRO A 60 -10.175 21.209 3.559 1.00 0.00 C ATOM 890 CD PRO A 60 -10.004 19.836 4.151 1.00 0.00 C ATOM 0 HA PRO A 60 -12.069 21.183 6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.513 22.795 4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.283 22.464 5.291 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.707 21.161 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.208 21.671 3.359 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.000 19.064 3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.064 19.748 4.696 1.00 0.00 H new ATOM 898 N GLU A 61 -13.958 22.092 4.695 1.00 0.00 N ATOM 899 CA GLU A 61 -15.282 22.223 4.101 1.00 0.00 C ATOM 900 C GLU A 61 -15.182 22.614 2.629 1.00 0.00 C ATOM 901 O GLU A 61 -14.198 23.217 2.201 1.00 0.00 O ATOM 902 CB GLU A 61 -16.106 23.265 4.862 1.00 0.00 C ATOM 903 CG GLU A 61 -17.596 23.189 4.575 1.00 0.00 C ATOM 904 CD GLU A 61 -18.290 22.103 5.374 1.00 0.00 C ATOM 905 OE1 GLU A 61 -18.691 22.377 6.525 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.432 20.978 4.850 1.00 0.00 O ATOM 0 H GLU A 61 -13.645 22.913 5.213 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.780 21.256 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.943 23.134 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.745 24.261 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -18.055 24.151 4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.748 23.006 3.511 1.00 0.00 H new ATOM 913 N GLY A 62 -16.209 22.268 1.860 1.00 0.00 N ATOM 914 CA GLY A 62 -16.216 22.589 0.444 1.00 0.00 C ATOM 915 C GLY A 62 -15.028 22.001 -0.291 1.00 0.00 C ATOM 916 O GLY A 62 -14.637 22.495 -1.348 1.00 0.00 O ATOM 0 H GLY A 62 -17.036 21.771 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -17.137 22.217 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.216 23.672 0.320 1.00 0.00 H new ATOM 920 N VAL A 63 -14.451 20.945 0.271 1.00 0.00 N ATOM 921 CA VAL A 63 -13.299 20.289 -0.338 1.00 0.00 C ATOM 922 C VAL A 63 -13.628 18.855 -0.733 1.00 0.00 C ATOM 923 O VAL A 63 -14.631 18.293 -0.292 1.00 0.00 O ATOM 924 CB VAL A 63 -12.089 20.283 0.615 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.224 19.169 1.644 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.794 20.140 -0.170 1.00 0.00 C ATOM 0 H VAL A 63 -14.762 20.525 1.147 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.046 20.859 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 63 -12.062 21.234 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.360 19.181 2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.132 19.321 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.277 18.207 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.949 20.138 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.809 19.204 -0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.695 20.975 -0.863 1.00 0.00 H new ATOM 936 N ALA A 64 -12.777 18.266 -1.567 1.00 0.00 N ATOM 937 CA ALA A 64 -12.977 16.895 -2.021 1.00 0.00 C ATOM 938 C ALA A 64 -11.644 16.171 -2.182 1.00 0.00 C ATOM 939 O ALA A 64 -10.805 16.568 -2.992 1.00 0.00 O ATOM 940 CB ALA A 64 -13.750 16.879 -3.330 1.00 0.00 C ATOM 0 H ALA A 64 -11.942 18.717 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.558 16.369 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.892 15.849 -3.656 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.722 17.350 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.191 17.427 -4.089 1.00 0.00 H new ATOM 946 N PHE A 65 -11.456 15.108 -1.407 1.00 0.00 N ATOM 947 CA PHE A 65 -10.224 14.330 -1.464 1.00 0.00 C ATOM 948 C PHE A 65 -9.676 14.282 -2.886 1.00 0.00 C ATOM 949 O PHE A 65 -10.344 13.810 -3.807 1.00 0.00 O ATOM 950 CB PHE A 65 -10.469 12.910 -0.950 1.00 0.00 C ATOM 951 CG PHE A 65 -9.324 11.972 -1.210 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.171 12.039 -0.445 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.402 11.025 -2.218 1.00 0.00 C ATOM 954 CE1 PHE A 65 -7.116 11.179 -0.682 1.00 0.00 C ATOM 955 CE2 PHE A 65 -8.349 10.161 -2.459 1.00 0.00 C ATOM 956 CZ PHE A 65 -7.205 10.238 -1.689 1.00 0.00 C ATOM 0 H PHE A 65 -12.140 14.766 -0.733 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.486 14.817 -0.827 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.660 12.948 0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.368 12.512 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.096 12.771 0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.295 10.961 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.222 11.243 -0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.421 9.427 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.382 9.564 -1.874 1.00 0.00 H new ATOM 966 N LYS A 66 -8.454 14.775 -3.061 1.00 0.00 N ATOM 967 CA LYS A 66 -7.813 14.788 -4.370 1.00 0.00 C ATOM 968 C LYS A 66 -6.326 15.104 -4.245 1.00 0.00 C ATOM 969 O LYS A 66 -5.845 15.462 -3.169 1.00 0.00 O ATOM 970 CB LYS A 66 -8.489 15.816 -5.281 1.00 0.00 C ATOM 971 CG LYS A 66 -8.368 17.245 -4.779 1.00 0.00 C ATOM 972 CD LYS A 66 -9.026 18.228 -5.734 1.00 0.00 C ATOM 973 CE LYS A 66 -10.526 18.317 -5.496 1.00 0.00 C ATOM 974 NZ LYS A 66 -11.112 19.545 -6.101 1.00 0.00 N ATOM 0 H LYS A 66 -7.888 15.171 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.920 13.796 -4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.050 15.751 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.544 15.563 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.830 17.327 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.316 17.502 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.578 19.214 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.837 17.920 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.013 17.437 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.725 18.310 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.135 19.568 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.665 20.386 -5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.945 19.540 -7.128 1.00 0.00 H new ATOM 988 N HIS A 67 -5.602 14.971 -5.353 1.00 0.00 N ATOM 989 CA HIS A 67 -4.169 15.244 -5.366 1.00 0.00 C ATOM 990 C HIS A 67 -3.852 16.515 -4.585 1.00 0.00 C ATOM 991 O HIS A 67 -4.590 17.499 -4.624 1.00 0.00 O ATOM 992 CB HIS A 67 -3.669 15.378 -6.805 1.00 0.00 C ATOM 993 CG HIS A 67 -2.272 14.875 -7.002 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.201 15.707 -7.249 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.773 13.617 -6.984 1.00 0.00 C ATOM 996 CE1 HIS A 67 -0.103 14.982 -7.378 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.424 13.710 -7.221 1.00 0.00 N ATOM 0 H HIS A 67 -5.984 14.676 -6.252 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.659 14.408 -4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.340 14.831 -7.467 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.714 16.426 -7.101 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.332 12.709 -6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.887 15.364 -7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.225 12.925 -7.268 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.726 16.495 -3.856 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.284 17.638 -3.050 1.00 0.00 C ATOM 1007 C PRO A 68 -1.823 18.809 -3.910 1.00 0.00 C ATOM 1008 O PRO A 68 -1.504 19.880 -3.396 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.112 17.072 -2.244 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.599 15.940 -3.065 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.797 15.356 -3.761 1.00 0.00 C ATOM 0 HA PRO A 68 -3.089 18.038 -2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.341 17.826 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.436 16.733 -1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.141 16.286 -3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.110 15.194 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.539 14.965 -4.745 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.229 14.532 -3.194 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.790 18.598 -5.222 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.367 19.638 -6.153 1.00 0.00 C ATOM 1021 C GLU A 69 -2.568 20.416 -6.681 1.00 0.00 C ATOM 1022 O GLU A 69 -2.418 21.487 -7.268 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.590 19.024 -7.318 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.466 18.637 -8.498 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.721 17.820 -9.535 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.140 18.391 -10.237 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -0.998 16.607 -9.644 1.00 0.00 O ATOM 0 H GLU A 69 -2.051 17.717 -5.664 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.717 20.329 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.165 19.734 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.060 18.140 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.322 18.066 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.858 19.540 -8.966 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.760 19.868 -6.470 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.988 20.510 -6.926 1.00 0.00 C ATOM 1036 C ASN A 70 -5.481 21.530 -5.904 1.00 0.00 C ATOM 1037 O ASN A 70 -6.366 22.336 -6.194 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.072 19.461 -7.180 1.00 0.00 C ATOM 1039 CG ASN A 70 -7.108 19.931 -8.183 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -7.892 20.838 -7.904 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -7.115 19.314 -9.359 1.00 0.00 N ATOM 0 H ASN A 70 -3.902 18.981 -5.986 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.771 21.032 -7.858 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.608 18.544 -7.544 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.566 19.217 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.789 19.587 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.446 18.567 -9.547 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.903 21.489 -4.709 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.284 22.408 -3.644 1.00 0.00 C ATOM 1050 C TYR A 71 -4.447 23.683 -3.698 1.00 0.00 C ATOM 1051 O TYR A 71 -3.218 23.630 -3.742 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.121 21.735 -2.279 1.00 0.00 C ATOM 1053 CG TYR A 71 -5.964 20.491 -2.113 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.303 20.480 -2.485 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.422 19.325 -1.585 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.077 19.347 -2.333 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.188 18.187 -1.432 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.515 18.202 -1.807 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.283 17.070 -1.656 1.00 0.00 O ATOM 0 H TYR A 71 -4.169 20.829 -4.454 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.331 22.676 -3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.072 21.475 -2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.383 22.448 -1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.746 21.373 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.383 19.309 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.117 19.357 -2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.750 17.289 -1.021 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.213 17.272 -1.892 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.123 24.826 -3.694 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.443 26.115 -3.741 1.00 0.00 C ATOM 1071 C ASP A 72 -3.454 26.251 -2.588 1.00 0.00 C ATOM 1072 O ASP A 72 -3.691 25.746 -1.490 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.462 27.255 -3.692 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.658 27.001 -4.589 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.554 27.264 -5.805 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.698 26.540 -4.074 1.00 0.00 O ATOM 0 H ASP A 72 -6.141 24.887 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.890 26.172 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.803 27.390 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.978 28.185 -3.991 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.344 26.935 -2.844 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.318 27.136 -1.827 1.00 0.00 C ATOM 1083 C LEU A 73 -1.945 27.323 -0.449 1.00 0.00 C ATOM 1084 O LEU A 73 -1.538 26.685 0.521 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.457 28.351 -2.176 1.00 0.00 C ATOM 1086 CG LEU A 73 0.589 28.754 -1.137 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.276 27.524 -0.566 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.611 29.702 -1.749 1.00 0.00 C ATOM 0 H LEU A 73 -2.132 27.360 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.688 26.247 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.054 28.150 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.117 29.202 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 73 0.083 29.273 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.017 27.831 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.535 26.881 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.769 26.977 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.348 29.979 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.112 29.209 -2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.106 30.599 -2.109 1.00 0.00 H new ATOM 1100 N ALA A 74 -2.940 28.201 -0.372 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.627 28.468 0.886 1.00 0.00 C ATOM 1102 C ALA A 74 -4.186 27.185 1.489 1.00 0.00 C ATOM 1103 O ALA A 74 -3.930 26.870 2.652 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.740 29.483 0.673 1.00 0.00 C ATOM 0 H ALA A 74 -3.288 28.739 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.902 28.881 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.245 29.673 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.317 30.413 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.457 29.091 -0.048 1.00 0.00 H new ATOM 1110 N THR A 75 -4.952 26.446 0.692 1.00 0.00 N ATOM 1111 CA THR A 75 -5.550 25.198 1.149 1.00 0.00 C ATOM 1112 C THR A 75 -4.481 24.210 1.601 1.00 0.00 C ATOM 1113 O THR A 75 -4.598 23.595 2.662 1.00 0.00 O ATOM 1114 CB THR A 75 -6.401 24.545 0.043 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.422 25.452 -0.388 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.037 23.255 0.540 1.00 0.00 C ATOM 0 H THR A 75 -5.173 26.691 -0.273 1.00 0.00 H new ATOM 0 HA THR A 75 -6.193 25.446 1.994 1.00 0.00 H new ATOM 0 HB THR A 75 -5.748 24.308 -0.797 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.958 25.031 -1.092 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.633 22.812 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.256 22.556 0.840 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.678 23.471 1.394 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.438 24.062 0.792 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.346 23.149 1.111 1.00 0.00 C ATOM 1126 C LEU A 76 -1.879 23.338 2.550 1.00 0.00 C ATOM 1127 O LEU A 76 -1.724 22.371 3.297 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.175 23.368 0.150 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.255 22.626 -1.185 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.157 23.099 -2.124 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.161 21.123 -0.965 1.00 0.00 C ATOM 0 H LEU A 76 -3.325 24.562 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.715 22.129 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.094 24.436 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.256 23.069 0.655 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.218 22.846 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.229 22.560 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.269 24.168 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.816 22.908 -1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.220 20.610 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.213 20.884 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.983 20.796 -0.329 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.659 24.590 2.936 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.213 24.909 4.288 1.00 0.00 C ATOM 1145 C LYS A 77 -2.165 24.323 5.326 1.00 0.00 C ATOM 1146 O LYS A 77 -1.734 23.680 6.283 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.113 26.425 4.469 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.059 27.074 3.588 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.104 28.589 3.690 1.00 0.00 C ATOM 1150 CE LYS A 77 1.169 29.224 3.151 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.402 30.575 3.728 1.00 0.00 N ATOM 0 H LYS A 77 -1.782 25.402 2.331 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.228 24.467 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.083 26.873 4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.887 26.644 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.929 26.718 3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.214 26.773 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.963 28.966 3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.244 28.880 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.019 28.581 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.106 29.299 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.279 30.974 3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.603 31.196 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.488 30.501 4.762 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.459 24.550 5.129 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.471 24.043 6.048 1.00 0.00 C ATOM 1167 C TRP A 78 -4.254 22.562 6.335 1.00 0.00 C ATOM 1168 O TRP A 78 -4.040 22.167 7.481 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.871 24.264 5.471 1.00 0.00 C ATOM 1170 CG TRP A 78 -6.969 23.981 6.450 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.607 24.884 7.251 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.557 22.705 6.734 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.556 24.248 8.014 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.545 22.912 7.715 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.345 21.411 6.252 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.318 21.871 8.224 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.112 20.379 6.758 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.090 20.613 7.734 1.00 0.00 C ATOM 0 H TRP A 78 -3.832 25.081 4.342 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.381 24.592 6.985 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.956 25.295 5.129 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.000 23.626 4.597 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.397 25.943 7.280 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.169 24.698 8.693 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.596 21.221 5.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.070 22.050 8.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -7.955 19.374 6.395 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.675 19.785 8.107 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.311 21.746 5.287 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.119 20.309 5.428 1.00 0.00 C ATOM 1191 C ILE A 79 -2.993 19.997 6.408 1.00 0.00 C ATOM 1192 O ILE A 79 -3.180 19.245 7.366 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.801 19.648 4.073 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -4.920 19.932 3.067 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.606 18.149 4.247 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.714 19.259 1.728 1.00 0.00 C ATOM 0 H ILE A 79 -4.489 22.056 4.332 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.055 19.903 5.812 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.874 20.073 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.869 19.601 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.997 21.009 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.382 17.697 3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.779 17.967 4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.517 17.708 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.544 19.504 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.781 19.608 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.668 18.179 1.867 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.825 20.581 6.163 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.668 20.369 7.027 1.00 0.00 C ATOM 1210 C LEU A 80 -0.972 20.795 8.459 1.00 0.00 C ATOM 1211 O LEU A 80 -0.550 20.140 9.413 1.00 0.00 O ATOM 1212 CB LEU A 80 0.538 21.145 6.496 1.00 0.00 C ATOM 1213 CG LEU A 80 1.321 20.478 5.365 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.398 21.413 4.837 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.935 19.169 5.840 1.00 0.00 C ATOM 0 H LEU A 80 -1.654 21.204 5.374 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.435 19.304 7.027 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.193 22.118 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.221 21.327 7.326 1.00 0.00 H new ATOM 0 HG LEU A 80 0.629 20.258 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.945 20.921 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.935 22.324 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.087 21.666 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.488 18.709 5.022 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.613 19.365 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.144 18.494 6.168 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.707 21.892 8.602 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.067 22.404 9.919 1.00 0.00 C ATOM 1229 C GLU A 81 -2.935 21.401 10.674 1.00 0.00 C ATOM 1230 O GLU A 81 -2.607 20.996 11.788 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.808 23.736 9.788 1.00 0.00 C ATOM 1232 CG GLU A 81 -1.899 24.950 9.881 1.00 0.00 C ATOM 1233 CD GLU A 81 -2.669 26.255 9.930 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -3.276 26.547 10.980 1.00 0.00 O ATOM 1235 OE2 GLU A 81 -2.665 26.984 8.915 1.00 0.00 O ATOM 0 H GLU A 81 -2.065 22.444 7.822 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.147 22.561 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.333 23.758 8.833 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.565 23.799 10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.277 24.866 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.226 24.962 9.023 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.043 21.003 10.057 1.00 0.00 N ATOM 1243 CA ASN A 82 -4.958 20.048 10.670 1.00 0.00 C ATOM 1244 C ASN A 82 -4.729 18.644 10.119 1.00 0.00 C ATOM 1245 O ASN A 82 -5.676 17.890 9.894 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.408 20.471 10.428 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.732 21.813 11.058 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.641 21.922 11.879 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -5.986 22.842 10.672 1.00 0.00 N ATOM 0 H ASN A 82 -4.329 21.327 9.133 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.764 20.035 11.743 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.595 20.522 9.355 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.077 19.712 10.832 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.157 23.770 11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.242 22.704 9.988 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.463 18.298 9.905 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.107 16.984 9.382 1.00 0.00 C ATOM 1258 C LYS A 83 -3.191 15.923 10.475 1.00 0.00 C ATOM 1259 O LYS A 83 -3.738 14.842 10.262 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.696 17.014 8.792 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.604 17.193 9.833 1.00 0.00 C ATOM 1262 CD LYS A 83 0.778 17.158 9.204 1.00 0.00 C ATOM 1263 CE LYS A 83 1.857 17.538 10.206 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.405 16.345 10.911 1.00 0.00 N ATOM 0 H LYS A 83 -2.667 18.910 10.086 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.817 16.727 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.519 16.086 8.248 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.632 17.826 8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.745 18.142 10.350 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.683 16.406 10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.977 16.159 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.810 17.842 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.665 18.058 9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.445 18.234 10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.137 16.646 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.639 15.863 11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.821 15.692 10.217 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.646 16.241 11.645 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.663 15.316 12.771 1.00 0.00 C ATOM 1280 C ALA A 84 -4.032 14.661 12.924 1.00 0.00 C ATOM 1281 O ALA A 84 -4.134 13.491 13.289 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.275 16.038 14.054 1.00 0.00 C ATOM 0 H ALA A 84 -2.188 17.132 11.837 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.934 14.530 12.574 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.292 15.335 14.887 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.272 16.452 13.949 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.983 16.845 14.246 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.082 15.426 12.643 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.432 14.902 12.756 1.00 0.00 C ATOM 1290 C GLY A 85 -6.823 14.046 11.568 1.00 0.00 C ATOM 1291 O GLY A 85 -7.548 13.061 11.717 1.00 0.00 O ATOM 0 H GLY A 85 -5.023 16.398 12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.514 14.311 13.668 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.134 15.731 12.849 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.345 14.421 10.387 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.649 13.680 9.170 1.00 0.00 C ATOM 1297 C ILE A 86 -6.399 12.188 9.357 1.00 0.00 C ATOM 1298 O ILE A 86 -5.297 11.773 9.717 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.812 14.184 7.979 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.419 15.466 7.407 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.718 13.111 6.905 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.623 16.054 6.263 1.00 0.00 C ATOM 0 H ILE A 86 -5.745 15.234 10.247 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.705 13.845 8.957 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.805 14.407 8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.432 15.257 7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.498 16.207 8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.124 13.483 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.244 12.221 7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.719 12.859 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.112 16.961 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.617 16.295 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.565 15.330 5.450 1.00 0.00 H new ATOM 1314 N SER A 87 -7.430 11.385 9.109 1.00 0.00 N ATOM 1315 CA SER A 87 -7.322 9.938 9.251 1.00 0.00 C ATOM 1316 C SER A 87 -7.754 9.232 7.970 1.00 0.00 C ATOM 1317 O SER A 87 -8.340 9.845 7.077 1.00 0.00 O ATOM 1318 CB SER A 87 -8.176 9.456 10.426 1.00 0.00 C ATOM 1319 OG SER A 87 -7.790 10.092 11.632 1.00 0.00 O ATOM 0 H SER A 87 -8.348 11.712 8.809 1.00 0.00 H new ATOM 0 HA SER A 87 -6.278 9.693 9.444 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.227 9.661 10.224 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.077 8.376 10.533 1.00 0.00 H new ATOM 0 HG SER A 87 -7.864 11.064 11.527 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.460 7.937 7.887 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.816 7.147 6.715 1.00 0.00 C ATOM 1327 C PHE A 88 -8.471 5.831 7.126 1.00 0.00 C ATOM 1328 O PHE A 88 -7.934 5.088 7.947 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.576 6.869 5.864 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.301 7.930 4.838 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -6.006 9.228 5.225 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.341 7.631 3.486 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.754 10.206 4.282 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.089 8.606 2.539 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.797 9.895 2.938 1.00 0.00 C ATOM 0 H PHE A 88 -6.977 7.414 8.617 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.531 7.720 6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.710 6.775 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.699 5.911 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.973 9.478 6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.572 6.625 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.524 11.213 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.121 8.360 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.603 10.659 2.200 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.634 5.550 6.548 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.362 4.324 6.852 1.00 0.00 C ATOM 1347 C ILE A 89 -10.358 3.373 5.661 1.00 0.00 C ATOM 1348 O ILE A 89 -10.989 3.641 4.638 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.819 4.620 7.255 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.862 5.695 8.344 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.505 3.349 7.731 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -12.006 7.099 7.801 1.00 0.00 C ATOM 0 H ILE A 89 -10.092 6.155 5.866 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.851 3.853 7.691 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.353 4.993 6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.695 5.487 9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.950 5.636 8.938 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.534 3.574 8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.501 2.611 6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.972 2.949 8.594 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.030 7.808 8.628 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.161 7.327 7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.932 7.175 7.231 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.647 2.259 5.802 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.564 1.267 4.739 1.00 0.00 C ATOM 1366 C ILE A 90 -10.759 0.320 4.777 1.00 0.00 C ATOM 1367 O ILE A 90 -10.908 -0.473 5.707 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.267 0.442 4.837 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.299 0.837 3.720 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.578 -1.045 4.775 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.357 1.955 4.104 1.00 0.00 C ATOM 0 H ILE A 90 -9.120 2.022 6.643 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.566 1.814 3.796 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.792 0.653 5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.714 -0.037 3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.872 1.141 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.651 -1.614 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.233 -1.315 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.073 -1.274 3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.700 2.182 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.933 2.843 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.757 1.647 4.961 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.607 0.406 3.758 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.788 -0.445 3.671 1.00 0.00 C ATOM 1385 C LYS A 91 -12.474 -1.739 2.929 1.00 0.00 C ATOM 1386 O LYS A 91 -13.032 -2.793 3.235 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.925 0.297 2.964 1.00 0.00 C ATOM 1388 CG LYS A 91 -14.128 1.717 3.463 1.00 0.00 C ATOM 1389 CD LYS A 91 -15.163 1.777 4.573 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.568 3.211 4.881 1.00 0.00 C ATOM 1391 NZ LYS A 91 -16.936 3.288 5.463 1.00 0.00 N ATOM 0 H LYS A 91 -11.498 1.057 2.980 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.100 -0.695 4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.720 0.323 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.851 -0.262 3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.180 2.114 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.444 2.352 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.043 1.204 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.761 1.310 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -14.852 3.649 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.528 3.804 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.175 4.281 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.623 2.893 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.968 2.743 6.348 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.574 -1.654 1.955 1.00 0.00 N ATOM 1406 CA ARG A 92 -11.184 -2.820 1.170 1.00 0.00 C ATOM 1407 C ARG A 92 -10.125 -2.449 0.137 1.00 0.00 C ATOM 1408 O ARG A 92 -10.270 -1.493 -0.624 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.405 -3.421 0.471 1.00 0.00 C ATOM 1410 CG ARG A 92 -12.052 -4.353 -0.677 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.683 -3.575 -1.931 1.00 0.00 C ATOM 1412 NE ARG A 92 -12.063 -4.287 -3.148 1.00 0.00 N ATOM 1413 CZ ARG A 92 -13.301 -4.310 -3.630 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -14.272 -3.662 -3.001 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -13.568 -4.980 -4.744 1.00 0.00 N ATOM 0 H ARG A 92 -11.101 -0.790 1.690 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.761 -3.560 1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.999 -3.968 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.031 -2.613 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.219 -4.992 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.897 -5.008 -0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.174 -2.602 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.609 -3.390 -1.940 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.338 -4.794 -3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.069 -3.145 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.222 -3.681 -3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.823 -5.478 -5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.519 -4.997 -5.113 1.00 0.00 H new ATOM 1429 N PRO A 93 -9.030 -3.224 0.108 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.924 -2.999 -0.828 1.00 0.00 C ATOM 1431 C PRO A 93 -8.309 -3.318 -2.269 1.00 0.00 C ATOM 1432 O PRO A 93 -8.719 -4.436 -2.579 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.841 -3.963 -0.338 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.587 -5.043 0.367 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.789 -4.383 0.984 1.00 0.00 C ATOM 0 HA PRO A 93 -7.610 -1.955 -0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.260 -4.361 -1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.140 -3.464 0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.887 -5.828 -0.328 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.966 -5.513 1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.648 -5.054 1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.596 -4.076 2.012 1.00 0.00 H new