USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 814 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 Set 1.1: A 17 GLN : amide:sc= -1.29 K(o=-1.1,f=-4!) USER MOD Set 1.2: A 115 TYR OH : rot -170:sc= 0.212 USER MOD Set 2.1: A 88 MET CE :methyl 180:sc= -1.43 (180deg=-1.43) USER MOD Set 2.2: A 100 GLN : amide:sc= -0.362 K(o=-1.8,f=-5.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 93:sc= 0.289! USER MOD Single : A 26 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.7!) USER MOD Single : A 33 SER OG : rot 180:sc=-0.00343 USER MOD Single : A 39 TYR OH : rot -130:sc= -1.08 USER MOD Single : A 43 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.39) USER MOD Single : A 44 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-4.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -172:sc= -1.34 (180deg=-1.47) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= -0.154 (180deg=-0.814) USER MOD Single : A 63 MET CE :methyl 154:sc= -0.0132 (180deg=-0.577) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot -47:sc= -1.94! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 89 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.3!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.27 USER MOD Single : A 95 LYS NZ :NH3+ 145:sc= -0.0291 (180deg=-0.205) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.133) USER MOD Single : A 120 THR OG1 : rot 167:sc= -0.334 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -10.827 11.800 1.746 1.00 0.00 N ATOM 157 CA GLU A 11 -9.855 12.673 2.462 1.00 0.00 C ATOM 158 C GLU A 11 -8.742 11.817 3.070 1.00 0.00 C ATOM 159 O GLU A 11 -7.571 12.095 2.901 1.00 0.00 O ATOM 160 CB GLU A 11 -10.581 13.436 3.575 1.00 0.00 C ATOM 161 CG GLU A 11 -9.764 14.665 3.983 1.00 0.00 C ATOM 162 CD GLU A 11 -8.685 14.254 4.987 1.00 0.00 C ATOM 163 OE1 GLU A 11 -8.755 13.141 5.481 1.00 0.00 O ATOM 164 OE2 GLU A 11 -7.807 15.061 5.245 1.00 0.00 O ATOM 0 HA GLU A 11 -9.419 13.382 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.569 13.743 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.730 12.785 4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.304 15.117 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.417 15.418 4.424 1.00 0.00 H new ATOM 171 N GLU A 12 -9.094 10.781 3.780 1.00 0.00 N ATOM 172 CA GLU A 12 -8.050 9.913 4.399 1.00 0.00 C ATOM 173 C GLU A 12 -7.058 9.460 3.325 1.00 0.00 C ATOM 174 O GLU A 12 -5.858 9.524 3.511 1.00 0.00 O ATOM 175 CB GLU A 12 -8.712 8.688 5.038 1.00 0.00 C ATOM 176 CG GLU A 12 -8.908 7.598 3.981 1.00 0.00 C ATOM 177 CD GLU A 12 -9.730 6.454 4.576 1.00 0.00 C ATOM 178 OE1 GLU A 12 -9.149 5.625 5.257 1.00 0.00 O ATOM 179 OE2 GLU A 12 -10.926 6.423 4.337 1.00 0.00 O ATOM 0 H GLU A 12 -10.057 10.497 3.959 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.519 10.477 5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.093 8.311 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.673 8.966 5.470 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.416 8.009 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.941 7.227 3.642 1.00 0.00 H new ATOM 186 N LEU A 13 -7.545 9.001 2.206 1.00 0.00 N ATOM 187 CA LEU A 13 -6.627 8.543 1.126 1.00 0.00 C ATOM 188 C LEU A 13 -5.700 9.691 0.722 1.00 0.00 C ATOM 189 O LEU A 13 -4.511 9.514 0.555 1.00 0.00 O ATOM 190 CB LEU A 13 -7.446 8.104 -0.089 1.00 0.00 C ATOM 191 CG LEU A 13 -8.310 6.898 0.283 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.301 6.614 -0.847 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.414 5.675 0.494 1.00 0.00 C ATOM 0 H LEU A 13 -8.539 8.923 1.993 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.033 7.704 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.077 8.925 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.782 7.848 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.857 7.111 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.917 5.755 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.939 7.485 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.754 6.400 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.029 4.815 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.868 5.461 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.706 5.877 1.298 1.00 0.00 H new ATOM 205 N ILE A 14 -6.238 10.868 0.562 1.00 0.00 N ATOM 206 CA ILE A 14 -5.390 12.026 0.166 1.00 0.00 C ATOM 207 C ILE A 14 -4.366 12.311 1.266 1.00 0.00 C ATOM 208 O ILE A 14 -3.228 12.640 0.997 1.00 0.00 O ATOM 209 CB ILE A 14 -6.275 13.256 -0.038 1.00 0.00 C ATOM 210 CG1 ILE A 14 -7.063 13.104 -1.341 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.399 14.508 -0.116 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.175 14.154 -1.392 1.00 0.00 C ATOM 0 H ILE A 14 -7.228 11.078 0.688 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.868 11.794 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.967 13.349 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.398 13.222 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.490 12.103 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.030 15.385 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.835 14.616 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.707 14.416 -0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.736 14.045 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.846 14.015 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.736 15.151 -1.348 1.00 0.00 H new ATOM 224 N GLU A 15 -4.763 12.191 2.503 1.00 0.00 N ATOM 225 CA GLU A 15 -3.814 12.459 3.620 1.00 0.00 C ATOM 226 C GLU A 15 -2.679 11.431 3.586 1.00 0.00 C ATOM 227 O GLU A 15 -1.538 11.762 3.329 1.00 0.00 O ATOM 228 CB GLU A 15 -4.555 12.357 4.954 1.00 0.00 C ATOM 229 CG GLU A 15 -3.843 13.217 6.000 1.00 0.00 C ATOM 230 CD GLU A 15 -2.460 12.631 6.287 1.00 0.00 C ATOM 231 OE1 GLU A 15 -2.291 11.438 6.095 1.00 0.00 O ATOM 232 OE2 GLU A 15 -1.593 13.385 6.697 1.00 0.00 O ATOM 0 H GLU A 15 -5.704 11.919 2.788 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.399 13.461 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.586 12.689 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.590 11.319 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.748 14.242 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.431 13.254 6.917 1.00 0.00 H new ATOM 239 N ILE A 16 -2.982 10.188 3.845 1.00 0.00 N ATOM 240 CA ILE A 16 -1.917 9.146 3.828 1.00 0.00 C ATOM 241 C ILE A 16 -0.988 9.391 2.638 1.00 0.00 C ATOM 242 O ILE A 16 0.169 9.726 2.802 1.00 0.00 O ATOM 243 CB ILE A 16 -2.554 7.761 3.704 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.220 7.386 5.029 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.472 6.731 3.368 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.461 6.538 4.754 1.00 0.00 C ATOM 0 H ILE A 16 -3.918 9.850 4.067 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.345 9.196 4.754 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.303 7.774 2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.521 6.833 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.496 8.287 5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.925 5.743 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.996 6.998 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.724 6.717 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.936 6.271 5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.162 7.107 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.172 5.631 4.224 1.00 0.00 H new ATOM 258 N GLN A 17 -1.482 9.230 1.441 1.00 0.00 N ATOM 259 CA GLN A 17 -0.621 9.459 0.247 1.00 0.00 C ATOM 260 C GLN A 17 0.178 10.748 0.445 1.00 0.00 C ATOM 261 O GLN A 17 1.291 10.879 -0.025 1.00 0.00 O ATOM 262 CB GLN A 17 -1.497 9.586 -1.001 1.00 0.00 C ATOM 263 CG GLN A 17 -1.386 8.307 -1.832 1.00 0.00 C ATOM 264 CD GLN A 17 -2.259 8.430 -3.083 1.00 0.00 C ATOM 265 OE1 GLN A 17 -1.816 8.147 -4.178 1.00 0.00 O ATOM 266 NE2 GLN A 17 -3.491 8.844 -2.965 1.00 0.00 N ATOM 0 H GLN A 17 -2.442 8.951 1.239 1.00 0.00 H new ATOM 0 HA GLN A 17 0.062 8.619 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.535 9.758 -0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.183 10.446 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.348 8.135 -2.116 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.701 7.448 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.863 9.082 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.082 8.930 -3.792 1.00 0.00 H new ATOM 275 N LYS A 18 -0.378 11.699 1.144 1.00 0.00 N ATOM 276 CA LYS A 18 0.350 12.976 1.379 1.00 0.00 C ATOM 277 C LYS A 18 1.678 12.673 2.074 1.00 0.00 C ATOM 278 O LYS A 18 2.735 13.065 1.619 1.00 0.00 O ATOM 279 CB LYS A 18 -0.498 13.888 2.270 1.00 0.00 C ATOM 280 CG LYS A 18 -0.158 15.352 1.980 1.00 0.00 C ATOM 281 CD LYS A 18 -1.140 16.262 2.724 1.00 0.00 C ATOM 282 CE LYS A 18 -2.037 16.984 1.717 1.00 0.00 C ATOM 283 NZ LYS A 18 -1.272 18.089 1.073 1.00 0.00 N ATOM 0 H LYS A 18 -1.307 11.646 1.563 1.00 0.00 H new ATOM 0 HA LYS A 18 0.539 13.474 0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.557 13.708 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.312 13.662 3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.863 15.568 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.210 15.543 0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.748 15.673 3.411 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.594 16.989 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.390 16.283 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.919 17.382 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.882 18.580 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.956 18.762 1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.444 17.697 0.581 1.00 0.00 H new ATOM 297 N GLU A 19 1.633 11.970 3.173 1.00 0.00 N ATOM 298 CA GLU A 19 2.889 11.633 3.898 1.00 0.00 C ATOM 299 C GLU A 19 3.649 10.556 3.120 1.00 0.00 C ATOM 300 O GLU A 19 4.761 10.763 2.678 1.00 0.00 O ATOM 301 CB GLU A 19 2.551 11.110 5.296 1.00 0.00 C ATOM 302 CG GLU A 19 1.321 11.842 5.836 1.00 0.00 C ATOM 303 CD GLU A 19 1.609 13.342 5.912 1.00 0.00 C ATOM 304 OE1 GLU A 19 2.720 13.695 6.273 1.00 0.00 O ATOM 305 OE2 GLU A 19 0.715 14.114 5.607 1.00 0.00 O ATOM 0 H GLU A 19 0.778 11.614 3.600 1.00 0.00 H new ATOM 0 HA GLU A 19 3.508 12.526 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.360 10.038 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.398 11.259 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.463 11.659 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.063 11.460 6.824 1.00 0.00 H new ATOM 312 N GLU A 20 3.054 9.406 2.950 1.00 0.00 N ATOM 313 CA GLU A 20 3.740 8.315 2.200 1.00 0.00 C ATOM 314 C GLU A 20 4.540 8.919 1.044 1.00 0.00 C ATOM 315 O GLU A 20 5.730 8.706 0.921 1.00 0.00 O ATOM 316 CB GLU A 20 2.695 7.343 1.646 1.00 0.00 C ATOM 317 CG GLU A 20 2.951 5.941 2.207 1.00 0.00 C ATOM 318 CD GLU A 20 1.890 4.977 1.673 1.00 0.00 C ATOM 319 OE1 GLU A 20 2.008 4.573 0.528 1.00 0.00 O ATOM 320 OE2 GLU A 20 0.978 4.658 2.419 1.00 0.00 O ATOM 0 H GLU A 20 2.123 9.175 3.298 1.00 0.00 H new ATOM 0 HA GLU A 20 4.415 7.780 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.693 7.677 1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.742 7.324 0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.946 5.599 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.923 5.963 3.296 1.00 0.00 H new ATOM 327 N THR A 21 3.896 9.673 0.195 1.00 0.00 N ATOM 328 CA THR A 21 4.621 10.291 -0.951 1.00 0.00 C ATOM 329 C THR A 21 5.835 11.058 -0.427 1.00 0.00 C ATOM 330 O THR A 21 6.963 10.770 -0.778 1.00 0.00 O ATOM 331 CB THR A 21 3.685 11.254 -1.687 1.00 0.00 C ATOM 332 OG1 THR A 21 2.436 10.617 -1.912 1.00 0.00 O ATOM 333 CG2 THR A 21 4.307 11.650 -3.028 1.00 0.00 C ATOM 0 H THR A 21 2.900 9.887 0.246 1.00 0.00 H new ATOM 0 HA THR A 21 4.951 9.512 -1.638 1.00 0.00 H new ATOM 0 HB THR A 21 3.534 12.148 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.823 10.830 -1.178 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.640 12.335 -3.550 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.266 12.139 -2.854 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.460 10.758 -3.636 1.00 0.00 H new ATOM 341 N ARG A 22 5.618 12.033 0.414 1.00 0.00 N ATOM 342 CA ARG A 22 6.763 12.814 0.958 1.00 0.00 C ATOM 343 C ARG A 22 7.880 11.855 1.379 1.00 0.00 C ATOM 344 O ARG A 22 9.047 12.114 1.163 1.00 0.00 O ATOM 345 CB ARG A 22 6.296 13.620 2.174 1.00 0.00 C ATOM 346 CG ARG A 22 7.405 14.580 2.611 1.00 0.00 C ATOM 347 CD ARG A 22 7.497 14.593 4.139 1.00 0.00 C ATOM 348 NE ARG A 22 7.933 13.253 4.623 1.00 0.00 N ATOM 349 CZ ARG A 22 8.371 13.110 5.843 1.00 0.00 C ATOM 350 NH1 ARG A 22 8.434 14.141 6.640 1.00 0.00 N ATOM 351 NH2 ARG A 22 8.748 11.934 6.267 1.00 0.00 N ATOM 0 H ARG A 22 4.698 12.321 0.747 1.00 0.00 H new ATOM 0 HA ARG A 22 7.138 13.494 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.393 14.179 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.040 12.947 2.992 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.358 14.271 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.199 15.584 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.204 15.356 4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.529 14.850 4.570 1.00 0.00 H new ATOM 0 HE ARG A 22 7.889 12.447 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.140 15.060 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.777 14.028 7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.700 11.128 5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.091 11.822 7.221 1.00 0.00 H new ATOM 365 N ASP A 23 7.531 10.750 1.980 1.00 0.00 N ATOM 366 CA ASP A 23 8.572 9.776 2.415 1.00 0.00 C ATOM 367 C ASP A 23 9.436 9.374 1.218 1.00 0.00 C ATOM 368 O ASP A 23 10.649 9.390 1.283 1.00 0.00 O ATOM 369 CB ASP A 23 7.894 8.533 2.995 1.00 0.00 C ATOM 370 CG ASP A 23 8.691 8.031 4.199 1.00 0.00 C ATOM 371 OD1 ASP A 23 9.228 8.858 4.917 1.00 0.00 O ATOM 372 OD2 ASP A 23 8.753 6.825 4.384 1.00 0.00 O ATOM 0 H ASP A 23 6.570 10.480 2.189 1.00 0.00 H new ATOM 0 HA ASP A 23 9.203 10.237 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.873 8.769 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.831 7.753 2.236 1.00 0.00 H new ATOM 377 N ILE A 24 8.823 9.011 0.125 1.00 0.00 N ATOM 378 CA ILE A 24 9.611 8.606 -1.074 1.00 0.00 C ATOM 379 C ILE A 24 10.408 9.803 -1.597 1.00 0.00 C ATOM 380 O ILE A 24 11.621 9.834 -1.526 1.00 0.00 O ATOM 381 CB ILE A 24 8.660 8.113 -2.167 1.00 0.00 C ATOM 382 CG1 ILE A 24 7.836 6.940 -1.631 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.466 7.657 -3.386 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.734 6.590 -2.632 1.00 0.00 C ATOM 0 H ILE A 24 7.810 8.977 0.010 1.00 0.00 H new ATOM 0 HA ILE A 24 10.299 7.806 -0.799 1.00 0.00 H new ATOM 0 HB ILE A 24 7.994 8.924 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.479 6.076 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.397 7.200 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.785 7.307 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.052 8.493 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.135 6.846 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.147 5.755 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.085 7.454 -2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.183 6.312 -3.585 1.00 0.00 H new ATOM 396 N ILE A 25 9.735 10.790 -2.123 1.00 0.00 N ATOM 397 CA ILE A 25 10.452 11.984 -2.652 1.00 0.00 C ATOM 398 C ILE A 25 11.651 12.301 -1.757 1.00 0.00 C ATOM 399 O ILE A 25 12.661 12.804 -2.210 1.00 0.00 O ATOM 400 CB ILE A 25 9.503 13.183 -2.668 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.120 12.734 -3.147 1.00 0.00 C ATOM 402 CG2 ILE A 25 10.048 14.255 -3.614 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.266 11.886 -4.412 1.00 0.00 C ATOM 0 H ILE A 25 8.719 10.821 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 25 10.798 11.777 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 25 9.423 13.595 -1.662 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.623 12.158 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.494 13.603 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.371 15.109 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.032 14.576 -3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.130 13.844 -4.620 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.281 11.567 -4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.746 12.477 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.876 11.009 -4.194 1.00 0.00 H new ATOM 415 N GLN A 26 11.547 12.019 -0.488 1.00 0.00 N ATOM 416 CA GLN A 26 12.678 12.311 0.437 1.00 0.00 C ATOM 417 C GLN A 26 13.814 11.316 0.194 1.00 0.00 C ATOM 418 O GLN A 26 14.970 11.686 0.119 1.00 0.00 O ATOM 419 CB GLN A 26 12.193 12.186 1.883 1.00 0.00 C ATOM 420 CG GLN A 26 11.273 13.363 2.215 1.00 0.00 C ATOM 421 CD GLN A 26 12.011 14.355 3.117 1.00 0.00 C ATOM 422 OE1 GLN A 26 13.208 14.254 3.304 1.00 0.00 O ATOM 423 NE2 GLN A 26 11.342 15.319 3.688 1.00 0.00 N ATOM 0 H GLN A 26 10.727 11.599 -0.051 1.00 0.00 H new ATOM 0 HA GLN A 26 13.041 13.323 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.661 11.245 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.044 12.172 2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.954 13.858 1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.372 13.004 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.338 15.405 3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.823 15.987 4.290 1.00 0.00 H new ATOM 432 N ALA A 27 13.499 10.056 0.076 1.00 0.00 N ATOM 433 CA ALA A 27 14.564 9.041 -0.157 1.00 0.00 C ATOM 434 C ALA A 27 15.119 9.192 -1.577 1.00 0.00 C ATOM 435 O ALA A 27 16.288 8.969 -1.822 1.00 0.00 O ATOM 436 CB ALA A 27 13.976 7.639 0.014 1.00 0.00 C ATOM 0 H ALA A 27 12.550 9.685 0.131 1.00 0.00 H new ATOM 0 HA ALA A 27 15.369 9.190 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.754 6.895 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.584 7.530 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.170 7.492 -0.705 1.00 0.00 H new ATOM 442 N LEU A 28 14.290 9.565 -2.513 1.00 0.00 N ATOM 443 CA LEU A 28 14.775 9.724 -3.913 1.00 0.00 C ATOM 444 C LEU A 28 15.695 10.943 -3.999 1.00 0.00 C ATOM 445 O LEU A 28 16.829 10.847 -4.423 1.00 0.00 O ATOM 446 CB LEU A 28 13.578 9.922 -4.846 1.00 0.00 C ATOM 447 CG LEU A 28 13.710 8.986 -6.049 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.417 9.018 -6.867 1.00 0.00 C ATOM 449 CD2 LEU A 28 14.878 9.446 -6.925 1.00 0.00 C ATOM 0 H LEU A 28 13.300 9.766 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 28 15.326 8.832 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.650 9.718 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.532 10.958 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 28 13.893 7.970 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.512 8.351 -7.724 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.584 8.692 -6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.233 10.034 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.974 8.780 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.693 10.462 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.800 9.423 -6.344 1.00 0.00 H new ATOM 461 N LEU A 29 15.216 12.089 -3.600 1.00 0.00 N ATOM 462 CA LEU A 29 16.065 13.311 -3.659 1.00 0.00 C ATOM 463 C LEU A 29 17.375 13.051 -2.916 1.00 0.00 C ATOM 464 O LEU A 29 18.450 13.201 -3.462 1.00 0.00 O ATOM 465 CB LEU A 29 15.323 14.480 -3.003 1.00 0.00 C ATOM 466 CG LEU A 29 15.173 15.619 -4.013 1.00 0.00 C ATOM 467 CD1 LEU A 29 14.358 16.752 -3.387 1.00 0.00 C ATOM 468 CD2 LEU A 29 16.559 16.141 -4.398 1.00 0.00 C ATOM 0 H LEU A 29 14.274 12.232 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 29 16.280 13.559 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.342 14.154 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.871 14.826 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 29 14.661 15.252 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.251 17.564 -4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.372 16.380 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.870 17.120 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.455 16.953 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 29 17.070 16.508 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 29 17.141 15.334 -4.843 1.00 0.00 H new ATOM 480 N GLU A 30 17.297 12.655 -1.674 1.00 0.00 N ATOM 481 CA GLU A 30 18.542 12.382 -0.905 1.00 0.00 C ATOM 482 C GLU A 30 19.482 11.534 -1.761 1.00 0.00 C ATOM 483 O GLU A 30 20.670 11.781 -1.831 1.00 0.00 O ATOM 484 CB GLU A 30 18.192 11.623 0.378 1.00 0.00 C ATOM 485 CG GLU A 30 19.451 11.453 1.230 1.00 0.00 C ATOM 486 CD GLU A 30 19.184 10.436 2.341 1.00 0.00 C ATOM 487 OE1 GLU A 30 18.751 9.340 2.023 1.00 0.00 O ATOM 488 OE2 GLU A 30 19.416 10.770 3.491 1.00 0.00 O ATOM 0 H GLU A 30 16.427 12.510 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 30 19.030 13.322 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.431 12.166 0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.771 10.648 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.281 11.118 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.742 12.410 1.662 1.00 0.00 H new ATOM 495 N ASP A 31 18.959 10.535 -2.418 1.00 0.00 N ATOM 496 CA ASP A 31 19.820 9.673 -3.274 1.00 0.00 C ATOM 497 C ASP A 31 20.622 10.554 -4.235 1.00 0.00 C ATOM 498 O ASP A 31 21.695 10.193 -4.674 1.00 0.00 O ATOM 499 CB ASP A 31 18.940 8.708 -4.076 1.00 0.00 C ATOM 500 CG ASP A 31 19.368 7.267 -3.788 1.00 0.00 C ATOM 501 OD1 ASP A 31 20.345 6.831 -4.375 1.00 0.00 O ATOM 502 OD2 ASP A 31 18.709 6.624 -2.988 1.00 0.00 O ATOM 0 H ASP A 31 17.972 10.279 -2.398 1.00 0.00 H new ATOM 0 HA ASP A 31 20.504 9.102 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.892 8.848 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.029 8.919 -5.142 1.00 0.00 H new ATOM 507 N GLY A 32 20.109 11.708 -4.566 1.00 0.00 N ATOM 508 CA GLY A 32 20.845 12.611 -5.497 1.00 0.00 C ATOM 509 C GLY A 32 20.159 12.608 -6.863 1.00 0.00 C ATOM 510 O GLY A 32 20.775 12.865 -7.879 1.00 0.00 O ATOM 0 H GLY A 32 19.213 12.064 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.870 13.623 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.879 12.282 -5.597 1.00 0.00 H new ATOM 514 N SER A 33 18.888 12.317 -6.898 1.00 0.00 N ATOM 515 CA SER A 33 18.165 12.297 -8.201 1.00 0.00 C ATOM 516 C SER A 33 18.388 13.623 -8.932 1.00 0.00 C ATOM 517 O SER A 33 19.138 14.469 -8.487 1.00 0.00 O ATOM 518 CB SER A 33 16.669 12.099 -7.949 1.00 0.00 C ATOM 519 OG SER A 33 16.039 13.370 -7.847 1.00 0.00 O ATOM 0 H SER A 33 18.319 12.092 -6.082 1.00 0.00 H new ATOM 0 HA SER A 33 18.543 11.479 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.224 11.524 -8.761 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.515 11.529 -7.033 1.00 0.00 H new ATOM 0 HG SER A 33 15.080 13.248 -7.687 1.00 0.00 H new ATOM 525 N ASP A 34 17.741 13.811 -10.050 1.00 0.00 N ATOM 526 CA ASP A 34 17.914 15.083 -10.810 1.00 0.00 C ATOM 527 C ASP A 34 16.546 15.580 -11.288 1.00 0.00 C ATOM 528 O ASP A 34 16.082 15.217 -12.350 1.00 0.00 O ATOM 529 CB ASP A 34 18.816 14.835 -12.021 1.00 0.00 C ATOM 530 CG ASP A 34 20.167 14.296 -11.549 1.00 0.00 C ATOM 531 OD1 ASP A 34 20.167 13.362 -10.766 1.00 0.00 O ATOM 532 OD2 ASP A 34 21.177 14.828 -11.979 1.00 0.00 O ATOM 0 H ASP A 34 17.100 13.139 -10.471 1.00 0.00 H new ATOM 0 HA ASP A 34 18.370 15.833 -10.164 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.345 14.123 -12.699 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.957 15.761 -12.579 1.00 0.00 H new ATOM 537 N PRO A 35 15.909 16.404 -10.499 1.00 0.00 N ATOM 538 CA PRO A 35 14.567 16.967 -10.832 1.00 0.00 C ATOM 539 C PRO A 35 14.590 17.813 -12.110 1.00 0.00 C ATOM 540 O PRO A 35 13.615 17.893 -12.829 1.00 0.00 O ATOM 541 CB PRO A 35 14.210 17.845 -9.625 1.00 0.00 C ATOM 542 CG PRO A 35 15.153 17.456 -8.532 1.00 0.00 C ATOM 543 CD PRO A 35 16.400 16.889 -9.204 1.00 0.00 C ATOM 0 HA PRO A 35 13.843 16.174 -11.019 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.312 18.902 -9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.175 17.687 -9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.405 18.318 -7.914 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.698 16.715 -7.875 1.00 0.00 H new ATOM 0 HD2 PRO A 35 17.169 17.651 -9.328 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.840 16.084 -8.616 1.00 0.00 H new ATOM 551 N ASP A 36 15.694 18.447 -12.394 1.00 0.00 N ATOM 552 CA ASP A 36 15.775 19.291 -13.621 1.00 0.00 C ATOM 553 C ASP A 36 15.653 18.406 -14.864 1.00 0.00 C ATOM 554 O ASP A 36 15.701 18.879 -15.982 1.00 0.00 O ATOM 555 CB ASP A 36 17.116 20.027 -13.649 1.00 0.00 C ATOM 556 CG ASP A 36 16.879 21.505 -13.963 1.00 0.00 C ATOM 557 OD1 ASP A 36 16.496 21.797 -15.084 1.00 0.00 O ATOM 558 OD2 ASP A 36 17.084 22.319 -13.079 1.00 0.00 O ATOM 0 H ASP A 36 16.544 18.418 -11.830 1.00 0.00 H new ATOM 0 HA ASP A 36 14.962 20.017 -13.613 1.00 0.00 H new ATOM 0 HB2 ASP A 36 17.620 19.924 -12.688 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.770 19.585 -14.400 1.00 0.00 H new ATOM 563 N ALA A 37 15.496 17.124 -14.680 1.00 0.00 N ATOM 564 CA ALA A 37 15.372 16.215 -15.854 1.00 0.00 C ATOM 565 C ALA A 37 13.943 15.674 -15.930 1.00 0.00 C ATOM 566 O ALA A 37 13.691 14.637 -16.511 1.00 0.00 O ATOM 567 CB ALA A 37 16.350 15.049 -15.703 1.00 0.00 C ATOM 0 H ALA A 37 15.448 16.667 -13.769 1.00 0.00 H new ATOM 0 HA ALA A 37 15.602 16.766 -16.766 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.259 14.384 -16.562 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.369 15.433 -15.648 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.120 14.497 -14.791 1.00 0.00 H new ATOM 573 N LEU A 38 13.004 16.367 -15.347 1.00 0.00 N ATOM 574 CA LEU A 38 11.594 15.890 -15.387 1.00 0.00 C ATOM 575 C LEU A 38 11.527 14.463 -14.839 1.00 0.00 C ATOM 576 O LEU A 38 12.536 13.808 -14.667 1.00 0.00 O ATOM 577 CB LEU A 38 11.089 15.905 -16.831 1.00 0.00 C ATOM 578 CG LEU A 38 10.565 17.300 -17.176 1.00 0.00 C ATOM 579 CD1 LEU A 38 9.267 17.561 -16.410 1.00 0.00 C ATOM 580 CD2 LEU A 38 11.609 18.346 -16.780 1.00 0.00 C ATOM 0 H LEU A 38 13.153 17.242 -14.845 1.00 0.00 H new ATOM 0 HA LEU A 38 10.971 16.546 -14.779 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.895 15.629 -17.512 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.298 15.166 -16.958 1.00 0.00 H new ATOM 0 HG LEU A 38 10.373 17.363 -18.247 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.893 18.555 -16.656 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.523 16.815 -16.689 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.458 17.500 -15.339 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.238 19.341 -17.025 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.799 18.283 -15.709 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.535 18.160 -17.324 1.00 0.00 H new ATOM 592 N TYR A 39 10.349 13.977 -14.562 1.00 0.00 N ATOM 593 CA TYR A 39 10.223 12.593 -14.026 1.00 0.00 C ATOM 594 C TYR A 39 9.007 11.908 -14.652 1.00 0.00 C ATOM 595 O TYR A 39 8.044 12.549 -15.025 1.00 0.00 O ATOM 596 CB TYR A 39 10.055 12.648 -12.506 1.00 0.00 C ATOM 597 CG TYR A 39 11.288 12.081 -11.841 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.445 12.861 -11.732 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.273 10.776 -11.336 1.00 0.00 C ATOM 600 CE1 TYR A 39 13.589 12.336 -11.119 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.416 10.249 -10.723 1.00 0.00 C ATOM 602 CZ TYR A 39 13.574 11.030 -10.614 1.00 0.00 C ATOM 603 OH TYR A 39 14.702 10.511 -10.012 1.00 0.00 O ATOM 0 H TYR A 39 9.469 14.478 -14.684 1.00 0.00 H new ATOM 0 HA TYR A 39 11.121 12.026 -14.272 1.00 0.00 H new ATOM 0 HB2 TYR A 39 9.896 13.677 -12.184 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.174 12.081 -12.206 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.455 13.868 -12.121 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.379 10.175 -11.419 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.482 12.938 -11.036 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.405 9.241 -10.335 1.00 0.00 H new ATOM 0 HH TYR A 39 14.903 9.632 -10.397 1.00 0.00 H new ATOM 613 N GLU A 40 9.043 10.609 -14.769 1.00 0.00 N ATOM 614 CA GLU A 40 7.892 9.879 -15.369 1.00 0.00 C ATOM 615 C GLU A 40 7.103 9.179 -14.261 1.00 0.00 C ATOM 616 O GLU A 40 7.642 8.401 -13.499 1.00 0.00 O ATOM 617 CB GLU A 40 8.410 8.838 -16.363 1.00 0.00 C ATOM 618 CG GLU A 40 9.251 7.797 -15.621 1.00 0.00 C ATOM 619 CD GLU A 40 10.398 7.332 -16.521 1.00 0.00 C ATOM 620 OE1 GLU A 40 11.271 8.138 -16.798 1.00 0.00 O ATOM 621 OE2 GLU A 40 10.384 6.179 -16.919 1.00 0.00 O ATOM 0 H GLU A 40 9.822 10.021 -14.474 1.00 0.00 H new ATOM 0 HA GLU A 40 7.243 10.584 -15.889 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.574 8.353 -16.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.009 9.322 -17.134 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.648 8.224 -14.700 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.630 6.947 -15.337 1.00 0.00 H new ATOM 628 N ILE A 41 5.830 9.450 -14.162 1.00 0.00 N ATOM 629 CA ILE A 41 5.011 8.801 -13.100 1.00 0.00 C ATOM 630 C ILE A 41 4.271 7.600 -13.694 1.00 0.00 C ATOM 631 O ILE A 41 3.780 7.648 -14.804 1.00 0.00 O ATOM 632 CB ILE A 41 3.992 9.807 -12.550 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.555 11.230 -12.663 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.685 9.496 -11.082 1.00 0.00 C ATOM 635 CD1 ILE A 41 5.763 11.389 -11.734 1.00 0.00 C ATOM 0 H ILE A 41 5.322 10.092 -14.770 1.00 0.00 H new ATOM 0 HA ILE A 41 5.662 8.467 -12.292 1.00 0.00 H new ATOM 0 HB ILE A 41 3.073 9.731 -13.132 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.848 11.434 -13.693 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.786 11.957 -12.401 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.961 10.216 -10.701 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.273 8.490 -11.002 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.602 9.560 -10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.157 12.402 -11.820 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.457 11.205 -10.704 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.536 10.674 -12.016 1.00 0.00 H new ATOM 647 N GLU A 42 4.191 6.522 -12.962 1.00 0.00 N ATOM 648 CA GLU A 42 3.486 5.316 -13.482 1.00 0.00 C ATOM 649 C GLU A 42 2.273 5.014 -12.598 1.00 0.00 C ATOM 650 O GLU A 42 2.409 4.666 -11.441 1.00 0.00 O ATOM 651 CB GLU A 42 4.442 4.123 -13.465 1.00 0.00 C ATOM 652 CG GLU A 42 3.908 3.025 -14.389 1.00 0.00 C ATOM 653 CD GLU A 42 3.820 1.705 -13.619 1.00 0.00 C ATOM 654 OE1 GLU A 42 2.859 1.532 -12.887 1.00 0.00 O ATOM 655 OE2 GLU A 42 4.715 0.891 -13.774 1.00 0.00 O ATOM 0 H GLU A 42 4.584 6.425 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 42 3.153 5.500 -14.503 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.435 4.435 -13.790 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.544 3.740 -12.450 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.925 3.302 -14.770 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.564 2.911 -15.252 1.00 0.00 H new ATOM 662 N HIS A 43 1.088 5.147 -13.130 1.00 0.00 N ATOM 663 CA HIS A 43 -0.129 4.870 -12.315 1.00 0.00 C ATOM 664 C HIS A 43 -0.724 3.517 -12.717 1.00 0.00 C ATOM 665 O HIS A 43 -0.760 3.164 -13.880 1.00 0.00 O ATOM 666 CB HIS A 43 -1.163 5.971 -12.555 1.00 0.00 C ATOM 667 CG HIS A 43 -0.590 7.299 -12.140 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.338 7.613 -10.812 1.00 0.00 N ATOM 669 CD2 HIS A 43 -0.214 8.404 -12.865 1.00 0.00 C ATOM 670 CE1 HIS A 43 0.165 8.861 -10.778 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.260 9.385 -12.001 1.00 0.00 N ATOM 0 H HIS A 43 0.910 5.435 -14.092 1.00 0.00 H new ATOM 0 HA HIS A 43 0.142 4.846 -11.260 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.444 5.997 -13.608 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.070 5.762 -11.988 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.277 8.496 -13.939 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.456 9.374 -9.873 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.607 10.311 -12.250 1.00 0.00 H new ATOM 679 N HIS A 44 -1.193 2.760 -11.763 1.00 0.00 N ATOM 680 CA HIS A 44 -1.790 1.432 -12.081 1.00 0.00 C ATOM 681 C HIS A 44 -3.257 1.419 -11.640 1.00 0.00 C ATOM 682 O HIS A 44 -3.558 1.465 -10.463 1.00 0.00 O ATOM 683 CB HIS A 44 -1.022 0.336 -11.335 1.00 0.00 C ATOM 684 CG HIS A 44 -0.519 -0.690 -12.315 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.657 -1.397 -12.107 1.00 0.00 N ATOM 686 CD2 HIS A 44 -1.021 -1.140 -13.512 1.00 0.00 C ATOM 687 CE1 HIS A 44 0.823 -2.227 -13.153 1.00 0.00 C ATOM 688 NE2 HIS A 44 -0.171 -2.108 -14.035 1.00 0.00 N ATOM 0 H HIS A 44 -1.188 3.005 -10.773 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.729 1.250 -13.154 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.185 0.772 -10.789 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.670 -0.138 -10.598 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.934 -0.795 -13.975 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.656 -2.905 -13.265 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.284 -2.620 -14.910 1.00 0.00 H new ATOM 696 N LEU A 45 -4.170 1.362 -12.570 1.00 0.00 N ATOM 697 CA LEU A 45 -5.613 1.351 -12.195 1.00 0.00 C ATOM 698 C LEU A 45 -6.289 0.115 -12.792 1.00 0.00 C ATOM 699 O LEU A 45 -5.938 -0.337 -13.865 1.00 0.00 O ATOM 700 CB LEU A 45 -6.287 2.614 -12.736 1.00 0.00 C ATOM 701 CG LEU A 45 -5.668 3.847 -12.075 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.681 4.506 -13.042 1.00 0.00 C ATOM 703 CD2 LEU A 45 -6.772 4.845 -11.721 1.00 0.00 C ATOM 0 H LEU A 45 -3.980 1.323 -13.571 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.706 1.324 -11.109 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.165 2.669 -13.818 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.358 2.581 -12.537 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.143 3.545 -11.168 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.241 5.384 -12.570 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.893 3.797 -13.297 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.206 4.806 -13.949 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.331 5.724 -11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.296 5.144 -12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.476 4.379 -11.032 1.00 0.00 H new ATOM 715 N PHE A 46 -7.254 -0.436 -12.108 1.00 0.00 N ATOM 716 CA PHE A 46 -7.949 -1.642 -12.642 1.00 0.00 C ATOM 717 C PHE A 46 -9.463 -1.456 -12.536 1.00 0.00 C ATOM 718 O PHE A 46 -9.945 -0.558 -11.873 1.00 0.00 O ATOM 719 CB PHE A 46 -7.532 -2.875 -11.836 1.00 0.00 C ATOM 720 CG PHE A 46 -6.954 -2.440 -10.512 1.00 0.00 C ATOM 721 CD1 PHE A 46 -7.635 -1.506 -9.724 1.00 0.00 C ATOM 722 CD2 PHE A 46 -5.736 -2.974 -10.073 1.00 0.00 C ATOM 723 CE1 PHE A 46 -7.097 -1.105 -8.495 1.00 0.00 C ATOM 724 CE2 PHE A 46 -5.200 -2.573 -8.845 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.881 -1.638 -8.056 1.00 0.00 C ATOM 0 H PHE A 46 -7.591 -0.104 -11.204 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.673 -1.779 -13.688 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.392 -3.524 -11.673 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -6.796 -3.455 -12.393 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -8.574 -1.095 -10.063 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.211 -3.695 -10.682 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.621 -0.384 -7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.261 -2.984 -8.505 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.467 -1.328 -7.108 1.00 0.00 H new ATOM 735 N ALA A 47 -10.217 -2.301 -13.185 1.00 0.00 N ATOM 736 CA ALA A 47 -11.701 -2.179 -13.127 1.00 0.00 C ATOM 737 C ALA A 47 -12.335 -3.549 -13.379 1.00 0.00 C ATOM 738 O ALA A 47 -11.662 -4.500 -13.723 1.00 0.00 O ATOM 739 CB ALA A 47 -12.174 -1.193 -14.197 1.00 0.00 C ATOM 0 H ALA A 47 -9.868 -3.072 -13.754 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.998 -1.817 -12.143 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.260 -1.103 -14.155 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.722 -0.217 -14.018 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.878 -1.555 -15.182 1.00 0.00 H new ATOM 745 N GLU A 48 -13.625 -3.658 -13.213 1.00 0.00 N ATOM 746 CA GLU A 48 -14.297 -4.968 -13.445 1.00 0.00 C ATOM 747 C GLU A 48 -15.148 -4.889 -14.713 1.00 0.00 C ATOM 748 O GLU A 48 -15.383 -5.878 -15.377 1.00 0.00 O ATOM 749 CB GLU A 48 -15.192 -5.304 -12.251 1.00 0.00 C ATOM 750 CG GLU A 48 -14.476 -6.308 -11.344 1.00 0.00 C ATOM 751 CD GLU A 48 -15.014 -6.182 -9.917 1.00 0.00 C ATOM 752 OE1 GLU A 48 -15.581 -5.147 -9.608 1.00 0.00 O ATOM 753 OE2 GLU A 48 -14.849 -7.122 -9.158 1.00 0.00 O ATOM 0 H GLU A 48 -14.242 -2.898 -12.927 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.542 -5.745 -13.562 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.428 -4.398 -11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.138 -5.721 -12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.630 -7.322 -11.714 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.402 -6.124 -11.356 1.00 0.00 H new ATOM 760 N ASP A 49 -15.612 -3.719 -15.056 1.00 0.00 N ATOM 761 CA ASP A 49 -16.446 -3.580 -16.282 1.00 0.00 C ATOM 762 C ASP A 49 -15.625 -2.898 -17.379 1.00 0.00 C ATOM 763 O ASP A 49 -15.457 -1.694 -17.383 1.00 0.00 O ATOM 764 CB ASP A 49 -17.680 -2.733 -15.968 1.00 0.00 C ATOM 765 CG ASP A 49 -18.701 -3.580 -15.206 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.402 -3.970 -14.088 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.763 -3.826 -15.752 1.00 0.00 O ATOM 0 H ASP A 49 -15.450 -2.854 -14.540 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.761 -4.567 -16.622 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.396 -1.865 -15.374 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.121 -2.357 -16.891 1.00 0.00 H new ATOM 772 N PHE A 50 -15.111 -3.656 -18.310 1.00 0.00 N ATOM 773 CA PHE A 50 -14.303 -3.044 -19.402 1.00 0.00 C ATOM 774 C PHE A 50 -15.037 -1.818 -19.950 1.00 0.00 C ATOM 775 O PHE A 50 -14.464 -0.993 -20.633 1.00 0.00 O ATOM 776 CB PHE A 50 -14.092 -4.072 -20.521 1.00 0.00 C ATOM 777 CG PHE A 50 -15.207 -3.967 -21.533 1.00 0.00 C ATOM 778 CD1 PHE A 50 -16.541 -3.982 -21.110 1.00 0.00 C ATOM 779 CD2 PHE A 50 -14.905 -3.854 -22.895 1.00 0.00 C ATOM 780 CE1 PHE A 50 -17.574 -3.884 -22.050 1.00 0.00 C ATOM 781 CE2 PHE A 50 -15.938 -3.756 -23.834 1.00 0.00 C ATOM 782 CZ PHE A 50 -17.273 -3.771 -23.413 1.00 0.00 C ATOM 0 H PHE A 50 -15.216 -4.669 -18.361 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.332 -2.737 -19.013 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -13.131 -3.901 -21.007 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -14.063 -5.078 -20.102 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -16.774 -4.069 -20.059 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -13.875 -3.842 -23.221 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -18.603 -3.896 -21.724 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -15.705 -3.669 -24.885 1.00 0.00 H new ATOM 0 HZ PHE A 50 -18.070 -3.696 -24.138 1.00 0.00 H new ATOM 792 N ASP A 51 -16.301 -1.690 -19.650 1.00 0.00 N ATOM 793 CA ASP A 51 -17.068 -0.513 -20.148 1.00 0.00 C ATOM 794 C ASP A 51 -16.548 0.750 -19.457 1.00 0.00 C ATOM 795 O ASP A 51 -16.020 1.642 -20.089 1.00 0.00 O ATOM 796 CB ASP A 51 -18.553 -0.699 -19.826 1.00 0.00 C ATOM 797 CG ASP A 51 -19.285 -1.201 -21.072 1.00 0.00 C ATOM 798 OD1 ASP A 51 -18.916 -0.789 -22.159 1.00 0.00 O ATOM 799 OD2 ASP A 51 -20.204 -1.988 -20.917 1.00 0.00 O ATOM 0 H ASP A 51 -16.835 -2.348 -19.083 1.00 0.00 H new ATOM 0 HA ASP A 51 -16.943 -0.420 -21.227 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.673 -1.411 -19.009 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.985 0.245 -19.493 1.00 0.00 H new ATOM 804 N LYS A 52 -16.689 0.828 -18.161 1.00 0.00 N ATOM 805 CA LYS A 52 -16.197 2.028 -17.430 1.00 0.00 C ATOM 806 C LYS A 52 -14.673 2.095 -17.544 1.00 0.00 C ATOM 807 O LYS A 52 -14.085 3.158 -17.527 1.00 0.00 O ATOM 808 CB LYS A 52 -16.597 1.927 -15.956 1.00 0.00 C ATOM 809 CG LYS A 52 -15.721 0.884 -15.256 1.00 0.00 C ATOM 810 CD LYS A 52 -16.205 0.698 -13.815 1.00 0.00 C ATOM 811 CE LYS A 52 -15.634 -0.600 -13.235 1.00 0.00 C ATOM 812 NZ LYS A 52 -16.703 -1.317 -12.484 1.00 0.00 N ATOM 0 H LYS A 52 -17.124 0.112 -17.578 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.636 2.927 -17.862 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.484 2.896 -15.471 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.648 1.649 -15.872 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.767 -0.064 -15.792 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.679 1.204 -15.263 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.894 1.546 -13.206 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.294 0.670 -13.789 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.250 -1.232 -14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.796 -0.379 -12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.318 -2.199 -12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.049 -0.713 -11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.489 -1.540 -13.127 1.00 0.00 H new ATOM 826 N LEU A 53 -14.029 0.966 -17.667 1.00 0.00 N ATOM 827 CA LEU A 53 -12.544 0.961 -17.788 1.00 0.00 C ATOM 828 C LEU A 53 -12.140 1.742 -19.040 1.00 0.00 C ATOM 829 O LEU A 53 -11.309 2.628 -18.991 1.00 0.00 O ATOM 830 CB LEU A 53 -12.048 -0.482 -17.903 1.00 0.00 C ATOM 831 CG LEU A 53 -10.570 -0.548 -17.513 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.181 -1.998 -17.222 1.00 0.00 C ATOM 833 CD2 LEU A 53 -9.715 -0.014 -18.666 1.00 0.00 C ATOM 0 H LEU A 53 -14.468 0.046 -17.689 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.101 1.426 -16.907 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.635 -1.132 -17.254 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.182 -0.843 -18.923 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.403 0.058 -16.623 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.128 -2.043 -16.944 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.789 -2.380 -16.402 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.348 -2.605 -18.112 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.662 -0.060 -18.390 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.884 -0.621 -19.556 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.990 1.020 -18.875 1.00 0.00 H new ATOM 845 N GLU A 54 -12.725 1.422 -20.161 1.00 0.00 N ATOM 846 CA GLU A 54 -12.379 2.148 -21.415 1.00 0.00 C ATOM 847 C GLU A 54 -12.726 3.630 -21.257 1.00 0.00 C ATOM 848 O GLU A 54 -11.924 4.498 -21.538 1.00 0.00 O ATOM 849 CB GLU A 54 -13.182 1.559 -22.580 1.00 0.00 C ATOM 850 CG GLU A 54 -12.236 0.849 -23.550 1.00 0.00 C ATOM 851 CD GLU A 54 -13.034 -0.124 -24.419 1.00 0.00 C ATOM 852 OE1 GLU A 54 -14.146 0.216 -24.787 1.00 0.00 O ATOM 853 OE2 GLU A 54 -12.521 -1.194 -24.702 1.00 0.00 O ATOM 0 H GLU A 54 -13.427 0.689 -20.263 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.313 2.043 -21.616 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.926 0.857 -22.203 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.723 2.350 -23.098 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.726 1.580 -24.178 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.466 0.312 -22.996 1.00 0.00 H new ATOM 860 N LYS A 55 -13.917 3.924 -20.813 1.00 0.00 N ATOM 861 CA LYS A 55 -14.318 5.348 -20.640 1.00 0.00 C ATOM 862 C LYS A 55 -13.260 6.083 -19.813 1.00 0.00 C ATOM 863 O LYS A 55 -12.693 7.065 -20.247 1.00 0.00 O ATOM 864 CB LYS A 55 -15.670 5.413 -19.922 1.00 0.00 C ATOM 865 CG LYS A 55 -16.677 6.168 -20.792 1.00 0.00 C ATOM 866 CD LYS A 55 -16.983 5.349 -22.048 1.00 0.00 C ATOM 867 CE LYS A 55 -18.312 4.614 -21.866 1.00 0.00 C ATOM 868 NZ LYS A 55 -18.334 3.952 -20.531 1.00 0.00 N ATOM 0 H LYS A 55 -14.630 3.239 -20.562 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.403 5.823 -21.617 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.034 4.406 -19.718 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.559 5.913 -18.960 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.594 6.349 -20.231 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.275 7.142 -21.070 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -17.033 6.003 -22.918 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.182 4.633 -22.233 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.142 5.315 -21.950 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.441 3.872 -22.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -19.174 3.343 -20.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.477 3.375 -20.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -18.367 4.676 -19.785 1.00 0.00 H new ATOM 882 N ALA A 56 -12.991 5.616 -18.624 1.00 0.00 N ATOM 883 CA ALA A 56 -11.970 6.292 -17.773 1.00 0.00 C ATOM 884 C ALA A 56 -10.649 6.385 -18.538 1.00 0.00 C ATOM 885 O ALA A 56 -10.041 7.433 -18.622 1.00 0.00 O ATOM 886 CB ALA A 56 -11.759 5.486 -16.490 1.00 0.00 C ATOM 0 H ALA A 56 -13.433 4.797 -18.206 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.316 7.294 -17.520 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.013 5.980 -15.868 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.700 5.419 -15.944 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.414 4.483 -16.743 1.00 0.00 H new ATOM 892 N ALA A 57 -10.200 5.294 -19.095 1.00 0.00 N ATOM 893 CA ALA A 57 -8.918 5.317 -19.853 1.00 0.00 C ATOM 894 C ALA A 57 -8.956 6.442 -20.890 1.00 0.00 C ATOM 895 O ALA A 57 -8.145 7.346 -20.868 1.00 0.00 O ATOM 896 CB ALA A 57 -8.725 3.975 -20.561 1.00 0.00 C ATOM 0 H ALA A 57 -10.666 4.387 -19.058 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.090 5.489 -19.165 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.787 3.988 -21.117 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.697 3.174 -19.822 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.553 3.805 -21.250 1.00 0.00 H new ATOM 902 N VAL A 58 -9.889 6.393 -21.800 1.00 0.00 N ATOM 903 CA VAL A 58 -9.978 7.458 -22.838 1.00 0.00 C ATOM 904 C VAL A 58 -9.767 8.827 -22.187 1.00 0.00 C ATOM 905 O VAL A 58 -8.856 9.555 -22.531 1.00 0.00 O ATOM 906 CB VAL A 58 -11.358 7.414 -23.499 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.501 8.590 -24.467 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.510 6.100 -24.269 1.00 0.00 C ATOM 0 H VAL A 58 -10.595 5.660 -21.870 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.209 7.293 -23.592 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.130 7.481 -22.732 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.484 8.557 -24.937 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.391 9.527 -23.920 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.730 8.525 -25.235 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.492 6.066 -24.741 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.737 6.036 -25.035 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.409 5.261 -23.580 1.00 0.00 H new ATOM 918 N GLU A 59 -10.600 9.186 -21.248 1.00 0.00 N ATOM 919 CA GLU A 59 -10.441 10.507 -20.579 1.00 0.00 C ATOM 920 C GLU A 59 -8.988 10.679 -20.130 1.00 0.00 C ATOM 921 O GLU A 59 -8.422 11.750 -20.218 1.00 0.00 O ATOM 922 CB GLU A 59 -11.361 10.578 -19.357 1.00 0.00 C ATOM 923 CG GLU A 59 -12.688 11.232 -19.749 1.00 0.00 C ATOM 924 CD GLU A 59 -13.511 10.256 -20.592 1.00 0.00 C ATOM 925 OE1 GLU A 59 -12.917 9.367 -21.181 1.00 0.00 O ATOM 926 OE2 GLU A 59 -14.720 10.412 -20.634 1.00 0.00 O ATOM 0 H GLU A 59 -11.382 8.622 -20.916 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.704 11.300 -21.279 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.540 9.577 -18.965 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.883 11.151 -18.562 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.244 11.515 -18.855 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.502 12.147 -20.311 1.00 0.00 H new ATOM 933 N ALA A 60 -8.380 9.628 -19.648 1.00 0.00 N ATOM 934 CA ALA A 60 -6.964 9.730 -19.192 1.00 0.00 C ATOM 935 C ALA A 60 -6.049 9.958 -20.396 1.00 0.00 C ATOM 936 O ALA A 60 -5.043 10.634 -20.303 1.00 0.00 O ATOM 937 CB ALA A 60 -6.564 8.431 -18.486 1.00 0.00 C ATOM 0 H ALA A 60 -8.802 8.705 -19.551 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.866 10.568 -18.502 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.529 8.503 -18.151 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.213 8.270 -17.625 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.665 7.595 -19.178 1.00 0.00 H new ATOM 943 N PHE A 61 -6.385 9.398 -21.526 1.00 0.00 N ATOM 944 CA PHE A 61 -5.530 9.584 -22.733 1.00 0.00 C ATOM 945 C PHE A 61 -5.639 11.032 -23.217 1.00 0.00 C ATOM 946 O PHE A 61 -4.648 11.705 -23.419 1.00 0.00 O ATOM 947 CB PHE A 61 -6.000 8.641 -23.843 1.00 0.00 C ATOM 948 CG PHE A 61 -5.042 8.719 -25.007 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.702 8.350 -24.835 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.492 9.160 -26.257 1.00 0.00 C ATOM 951 CE1 PHE A 61 -2.812 8.423 -25.914 1.00 0.00 C ATOM 952 CE2 PHE A 61 -4.602 9.235 -27.335 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.262 8.866 -27.164 1.00 0.00 C ATOM 0 H PHE A 61 -7.214 8.820 -21.666 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.493 9.361 -22.481 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -6.052 7.619 -23.469 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -7.005 8.914 -24.166 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.355 8.009 -23.871 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.526 9.442 -26.390 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.779 8.138 -25.782 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.949 9.578 -28.299 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.576 8.923 -27.996 1.00 0.00 H new ATOM 963 N LYS A 62 -6.836 11.515 -23.404 1.00 0.00 N ATOM 964 CA LYS A 62 -7.009 12.917 -23.876 1.00 0.00 C ATOM 965 C LYS A 62 -6.513 13.884 -22.800 1.00 0.00 C ATOM 966 O LYS A 62 -5.858 14.866 -23.089 1.00 0.00 O ATOM 967 CB LYS A 62 -8.490 13.180 -24.153 1.00 0.00 C ATOM 968 CG LYS A 62 -8.639 14.483 -24.943 1.00 0.00 C ATOM 969 CD LYS A 62 -10.030 15.068 -24.703 1.00 0.00 C ATOM 970 CE LYS A 62 -10.378 16.039 -25.832 1.00 0.00 C ATOM 971 NZ LYS A 62 -10.536 15.281 -27.106 1.00 0.00 N ATOM 0 H LYS A 62 -7.702 10.999 -23.250 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.434 13.066 -24.790 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.918 12.350 -24.715 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.040 13.247 -23.214 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.875 15.197 -24.635 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.490 14.295 -26.006 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.769 14.268 -24.656 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.058 15.584 -23.744 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.299 16.572 -25.597 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.593 16.788 -25.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.236 15.758 -27.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.622 15.240 -27.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.861 14.315 -26.897 1.00 0.00 H new ATOM 985 N MET A 63 -6.819 13.617 -21.560 1.00 0.00 N ATOM 986 CA MET A 63 -6.363 14.526 -20.471 1.00 0.00 C ATOM 987 C MET A 63 -4.857 14.758 -20.601 1.00 0.00 C ATOM 988 O MET A 63 -4.410 15.855 -20.869 1.00 0.00 O ATOM 989 CB MET A 63 -6.667 13.891 -19.112 1.00 0.00 C ATOM 990 CG MET A 63 -6.168 14.813 -17.996 1.00 0.00 C ATOM 991 SD MET A 63 -7.490 15.066 -16.786 1.00 0.00 S ATOM 992 CE MET A 63 -7.648 13.343 -16.258 1.00 0.00 C ATOM 0 H MET A 63 -7.364 12.811 -21.254 1.00 0.00 H new ATOM 0 HA MET A 63 -6.887 15.479 -20.550 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.739 13.724 -19.008 1.00 0.00 H new ATOM 0 HB3 MET A 63 -6.184 12.917 -19.037 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.295 14.375 -17.511 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.854 15.770 -18.413 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.042 13.308 -15.242 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.328 12.818 -16.929 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.670 12.863 -16.284 1.00 0.00 H new ATOM 1002 N GLY A 64 -4.071 13.733 -20.414 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.594 13.895 -20.528 1.00 0.00 C ATOM 1004 C GLY A 64 -1.897 12.677 -19.922 1.00 0.00 C ATOM 1005 O GLY A 64 -0.779 12.758 -19.454 1.00 0.00 O ATOM 0 H GLY A 64 -4.388 12.790 -20.187 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.310 14.006 -21.574 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.277 14.802 -20.013 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.547 11.545 -19.927 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.920 10.322 -19.350 1.00 0.00 C ATOM 1011 C PHE A 65 -1.708 9.286 -20.458 1.00 0.00 C ATOM 1012 O PHE A 65 -2.576 9.049 -21.274 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.839 9.736 -18.275 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.752 10.575 -17.023 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -1.756 10.317 -16.074 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -3.669 11.611 -16.811 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -1.678 11.095 -14.912 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -3.590 12.389 -15.650 1.00 0.00 C ATOM 1019 CZ PHE A 65 -2.595 12.131 -14.701 1.00 0.00 C ATOM 0 H PHE A 65 -3.485 11.414 -20.306 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.959 10.582 -18.906 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.867 9.709 -18.636 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.551 8.708 -18.057 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.048 9.518 -16.238 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.438 11.810 -17.543 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.910 10.896 -14.179 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.297 13.189 -15.487 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.534 12.731 -13.805 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.558 8.668 -20.492 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.291 7.648 -21.546 1.00 0.00 C ATOM 1031 C GLU A 66 -0.855 6.295 -21.102 1.00 0.00 C ATOM 1032 O GLU A 66 -0.126 5.413 -20.695 1.00 0.00 O ATOM 1033 CB GLU A 66 1.218 7.523 -21.764 1.00 0.00 C ATOM 1034 CG GLU A 66 1.780 8.862 -22.247 1.00 0.00 C ATOM 1035 CD GLU A 66 2.814 8.614 -23.347 1.00 0.00 C ATOM 1036 OE1 GLU A 66 3.291 7.496 -23.444 1.00 0.00 O ATOM 1037 OE2 GLU A 66 3.111 9.548 -24.075 1.00 0.00 O ATOM 0 H GLU A 66 0.207 8.825 -19.836 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.769 7.954 -22.476 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.706 7.226 -20.836 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.426 6.744 -22.497 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.975 9.491 -22.625 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.239 9.397 -21.416 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.148 6.126 -21.174 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.756 4.831 -20.756 1.00 0.00 C ATOM 1046 C VAL A 67 -1.925 3.670 -21.308 1.00 0.00 C ATOM 1047 O VAL A 67 -1.327 3.767 -22.360 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.184 4.737 -21.297 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.149 4.289 -22.760 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.975 3.718 -20.472 1.00 0.00 C ATOM 0 H VAL A 67 -2.809 6.829 -21.504 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.775 4.777 -19.667 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.663 5.714 -21.228 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.167 4.222 -23.145 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.585 5.013 -23.349 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.670 3.312 -22.830 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.993 3.650 -20.856 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.495 2.742 -20.542 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.001 4.036 -19.430 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.890 2.570 -20.605 1.00 0.00 N ATOM 1061 CA LEU A 68 -1.103 1.401 -21.088 1.00 0.00 C ATOM 1062 C LEU A 68 -2.009 0.168 -21.134 1.00 0.00 C ATOM 1063 O LEU A 68 -2.789 -0.075 -20.234 1.00 0.00 O ATOM 1064 CB LEU A 68 0.064 1.142 -20.134 1.00 0.00 C ATOM 1065 CG LEU A 68 1.099 0.251 -20.822 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.167 1.125 -21.482 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.758 -0.660 -19.783 1.00 0.00 C ATOM 0 H LEU A 68 -2.373 2.431 -19.717 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.715 1.608 -22.085 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.521 2.086 -19.837 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.296 0.663 -19.224 1.00 0.00 H new ATOM 0 HG LEU A 68 0.607 -0.357 -21.581 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.905 0.490 -21.972 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.699 1.775 -22.221 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.659 1.733 -20.723 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.496 -1.296 -20.272 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.250 -0.051 -19.025 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.998 -1.283 -19.311 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.916 -0.612 -22.177 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.775 -1.826 -22.279 1.00 0.00 C ATOM 1081 C GLU A 69 -2.859 -2.512 -20.914 1.00 0.00 C ATOM 1082 O GLU A 69 -2.018 -2.321 -20.059 1.00 0.00 O ATOM 1083 CB GLU A 69 -2.174 -2.792 -23.301 1.00 0.00 C ATOM 1084 CG GLU A 69 -0.870 -3.373 -22.750 1.00 0.00 C ATOM 1085 CD GLU A 69 -0.058 -3.986 -23.893 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -0.329 -3.649 -25.033 1.00 0.00 O ATOM 1087 OE2 GLU A 69 0.821 -4.782 -23.607 1.00 0.00 O ATOM 0 H GLU A 69 -1.283 -0.461 -22.962 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.776 -1.535 -22.599 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.879 -3.595 -23.517 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.985 -2.273 -24.240 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.291 -2.591 -22.258 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.087 -4.131 -21.997 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.873 -3.308 -20.702 1.00 0.00 N ATOM 1095 CA ALA A 70 -4.017 -4.002 -19.390 1.00 0.00 C ATOM 1096 C ALA A 70 -3.783 -5.504 -19.563 1.00 0.00 C ATOM 1097 O ALA A 70 -3.646 -6.002 -20.663 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.429 -3.772 -18.848 1.00 0.00 C ATOM 0 H ALA A 70 -4.608 -3.507 -21.381 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.281 -3.602 -18.692 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.537 -4.278 -17.889 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.598 -2.703 -18.716 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.159 -4.170 -19.553 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.743 -6.229 -18.478 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.526 -7.700 -18.563 1.00 0.00 C ATOM 1106 C GLU A 71 -4.491 -8.404 -17.605 1.00 0.00 C ATOM 1107 O GLU A 71 -4.933 -7.835 -16.627 1.00 0.00 O ATOM 1108 CB GLU A 71 -2.084 -8.031 -18.166 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.563 -6.975 -17.191 1.00 0.00 C ATOM 1110 CD GLU A 71 -0.089 -7.249 -16.881 1.00 0.00 C ATOM 1111 OE1 GLU A 71 0.603 -7.726 -17.765 1.00 0.00 O ATOM 1112 OE2 GLU A 71 0.322 -6.977 -15.766 1.00 0.00 O ATOM 0 H GLU A 71 -3.852 -5.863 -17.532 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.705 -8.038 -19.584 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.041 -9.018 -17.705 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.451 -8.065 -19.053 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.676 -5.980 -17.621 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.148 -6.993 -16.272 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.825 -9.634 -17.877 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.764 -10.366 -16.980 1.00 0.00 C ATOM 1121 C GLU A 72 -5.057 -10.707 -15.665 1.00 0.00 C ATOM 1122 O GLU A 72 -3.986 -11.284 -15.657 1.00 0.00 O ATOM 1123 CB GLU A 72 -6.225 -11.653 -17.664 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.845 -11.316 -19.022 1.00 0.00 C ATOM 1125 CD GLU A 72 -8.366 -11.233 -18.884 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -9.010 -12.261 -19.018 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -8.862 -10.144 -18.646 1.00 0.00 O ATOM 0 H GLU A 72 -4.489 -10.165 -18.681 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.630 -9.737 -16.771 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.381 -12.330 -17.796 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.953 -12.169 -17.038 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.451 -10.368 -19.388 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.577 -12.077 -19.755 1.00 0.00 H new ATOM 1134 N THR A 73 -5.645 -10.355 -14.554 1.00 0.00 N ATOM 1135 CA THR A 73 -5.003 -10.658 -13.243 1.00 0.00 C ATOM 1136 C THR A 73 -5.934 -11.540 -12.405 1.00 0.00 C ATOM 1137 O THR A 73 -6.958 -11.998 -12.871 1.00 0.00 O ATOM 1138 CB THR A 73 -4.731 -9.353 -12.492 1.00 0.00 C ATOM 1139 OG1 THR A 73 -4.979 -9.546 -11.105 1.00 0.00 O ATOM 1140 CG2 THR A 73 -5.650 -8.253 -13.027 1.00 0.00 C ATOM 0 H THR A 73 -6.541 -9.871 -14.497 1.00 0.00 H new ATOM 0 HA THR A 73 -4.063 -11.183 -13.416 1.00 0.00 H new ATOM 0 HB THR A 73 -3.692 -9.059 -12.639 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.804 -8.711 -10.622 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.455 -7.324 -12.491 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.460 -8.106 -14.090 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.690 -8.545 -12.881 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.906 -12.929 -12.723 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.432 -12.311 -13.994 1.00 0.00 C ATOM 1225 C LYS A 80 -10.630 -10.794 -13.935 1.00 0.00 C ATOM 1226 O LYS A 80 -11.697 -10.286 -14.215 1.00 0.00 O ATOM 1227 CB LYS A 80 -11.230 -12.888 -15.166 1.00 0.00 C ATOM 1228 CG LYS A 80 -11.034 -14.406 -15.220 1.00 0.00 C ATOM 1229 CD LYS A 80 -10.322 -14.788 -16.521 1.00 0.00 C ATOM 1230 CE LYS A 80 -10.417 -16.300 -16.729 1.00 0.00 C ATOM 1231 NZ LYS A 80 -9.210 -16.781 -17.458 1.00 0.00 N ATOM 0 HA LYS A 80 -9.373 -12.529 -14.131 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.288 -12.651 -15.051 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.902 -12.435 -16.101 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.448 -14.738 -14.363 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.999 -14.909 -15.161 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.775 -14.265 -17.363 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.277 -14.481 -16.480 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -10.498 -16.805 -15.767 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.317 -16.544 -17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.276 -17.809 -17.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.151 -16.308 -18.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.359 -16.562 -16.902 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.606 -10.067 -13.578 1.00 0.00 N ATOM 1246 CA LEU A 81 -9.730 -8.584 -13.505 1.00 0.00 C ATOM 1247 C LEU A 81 -8.824 -7.946 -14.563 1.00 0.00 C ATOM 1248 O LEU A 81 -7.933 -8.579 -15.093 1.00 0.00 O ATOM 1249 CB LEU A 81 -9.303 -8.100 -12.116 1.00 0.00 C ATOM 1250 CG LEU A 81 -10.156 -8.790 -11.049 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -9.352 -8.908 -9.752 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -11.418 -7.965 -10.792 1.00 0.00 C ATOM 0 H LEU A 81 -8.688 -10.437 -13.333 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.766 -8.298 -13.687 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.248 -8.320 -11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.418 -7.018 -12.045 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.437 -9.785 -11.396 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.959 -9.399 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.452 -9.496 -9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.072 -7.913 -9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.026 -8.456 -10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.138 -6.970 -10.445 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.991 -7.880 -11.715 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.043 -6.697 -14.871 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.192 -6.019 -15.892 1.00 0.00 C ATOM 1266 C LEU A 82 -7.407 -4.891 -15.220 1.00 0.00 C ATOM 1267 O LEU A 82 -7.936 -4.154 -14.411 1.00 0.00 O ATOM 1268 CB LEU A 82 -9.082 -5.441 -16.994 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.829 -6.578 -17.694 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -11.185 -6.789 -17.018 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -10.044 -6.218 -19.166 1.00 0.00 C ATOM 0 H LEU A 82 -9.774 -6.116 -14.460 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.498 -6.737 -16.330 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.793 -4.732 -16.568 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.476 -4.891 -17.715 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.242 -7.494 -17.626 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.718 -7.599 -17.516 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.033 -7.046 -15.970 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.772 -5.873 -17.086 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.576 -7.028 -19.665 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.631 -5.302 -19.235 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.078 -6.067 -19.648 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.149 -4.751 -15.539 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.342 -3.671 -14.901 1.00 0.00 C ATOM 1285 C CYS A 83 -4.551 -2.906 -15.964 1.00 0.00 C ATOM 1286 O CYS A 83 -3.557 -3.384 -16.475 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.371 -4.290 -13.894 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.549 -5.716 -14.646 1.00 0.00 S ATOM 0 H CYS A 83 -5.647 -5.333 -16.209 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.013 -2.980 -14.391 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.631 -3.552 -13.585 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.908 -4.598 -12.997 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.433 -6.467 -15.232 1.00 0.00 H new ATOM 1294 N PHE A 84 -4.975 -1.716 -16.292 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.238 -0.916 -17.310 1.00 0.00 C ATOM 1296 C PHE A 84 -3.279 0.036 -16.593 1.00 0.00 C ATOM 1297 O PHE A 84 -3.453 0.344 -15.431 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.226 -0.109 -18.154 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.112 0.713 -17.251 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.158 0.101 -16.551 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -5.892 2.089 -17.117 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -7.982 0.863 -15.717 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -6.717 2.852 -16.283 1.00 0.00 C ATOM 1304 CZ PHE A 84 -7.762 2.238 -15.582 1.00 0.00 C ATOM 0 H PHE A 84 -5.800 -1.263 -15.899 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.678 -1.584 -17.964 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.685 0.543 -18.841 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.833 -0.780 -18.762 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.329 -0.960 -16.655 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.085 2.562 -17.657 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.789 0.390 -15.177 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.548 3.914 -16.180 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.398 2.826 -14.937 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.267 0.503 -17.270 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.304 1.430 -16.613 1.00 0.00 C ATOM 1316 C ASP A 85 -1.429 2.824 -17.230 1.00 0.00 C ATOM 1317 O ASP A 85 -2.110 3.018 -18.217 1.00 0.00 O ATOM 1318 CB ASP A 85 0.120 0.908 -16.807 1.00 0.00 C ATOM 1319 CG ASP A 85 0.844 0.889 -15.459 1.00 0.00 C ATOM 1320 OD1 ASP A 85 1.199 1.956 -14.987 1.00 0.00 O ATOM 1321 OD2 ASP A 85 1.027 -0.190 -14.921 1.00 0.00 O ATOM 0 H ASP A 85 -2.066 0.284 -18.246 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.527 1.487 -15.548 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.096 -0.095 -17.233 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.658 1.541 -17.512 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.775 3.798 -16.657 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.856 5.178 -17.212 1.00 0.00 C ATOM 1328 C ALA A 86 0.447 5.924 -16.916 1.00 0.00 C ATOM 1329 O ALA A 86 0.823 6.103 -15.774 1.00 0.00 O ATOM 1330 CB ALA A 86 -2.027 5.919 -16.562 1.00 0.00 C ATOM 0 H ALA A 86 -0.188 3.697 -15.829 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.009 5.129 -18.290 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.088 6.929 -16.967 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.955 5.387 -16.772 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.873 5.969 -15.484 1.00 0.00 H new ATOM 1336 N THR A 87 1.139 6.359 -17.932 1.00 0.00 N ATOM 1337 CA THR A 87 2.417 7.092 -17.702 1.00 0.00 C ATOM 1338 C THR A 87 2.182 8.596 -17.853 1.00 0.00 C ATOM 1339 O THR A 87 1.355 9.032 -18.628 1.00 0.00 O ATOM 1340 CB THR A 87 3.464 6.634 -18.724 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.893 5.652 -19.576 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.671 6.041 -17.995 1.00 0.00 C ATOM 0 H THR A 87 0.876 6.239 -18.910 1.00 0.00 H new ATOM 0 HA THR A 87 2.776 6.881 -16.695 1.00 0.00 H new ATOM 0 HB THR A 87 3.788 7.488 -19.318 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.560 5.359 -20.231 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.413 5.716 -18.724 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.109 6.796 -17.343 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.352 5.187 -17.398 1.00 0.00 H new ATOM 1350 N MET A 88 2.907 9.391 -17.117 1.00 0.00 N ATOM 1351 CA MET A 88 2.734 10.867 -17.214 1.00 0.00 C ATOM 1352 C MET A 88 4.079 11.548 -16.963 1.00 0.00 C ATOM 1353 O MET A 88 4.940 11.015 -16.291 1.00 0.00 O ATOM 1354 CB MET A 88 1.717 11.333 -16.165 1.00 0.00 C ATOM 1355 CG MET A 88 1.827 12.849 -15.976 1.00 0.00 C ATOM 1356 SD MET A 88 0.559 13.405 -14.812 1.00 0.00 S ATOM 1357 CE MET A 88 -0.581 14.102 -16.031 1.00 0.00 C ATOM 0 H MET A 88 3.614 9.081 -16.450 1.00 0.00 H new ATOM 0 HA MET A 88 2.372 11.130 -18.208 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.708 11.069 -16.481 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.898 10.825 -15.218 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.818 13.109 -15.603 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.704 13.355 -16.933 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.454 14.510 -15.521 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.080 14.896 -16.585 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.897 13.321 -16.722 1.00 0.00 H new ATOM 1367 N GLN A 89 4.267 12.722 -17.496 1.00 0.00 N ATOM 1368 CA GLN A 89 5.557 13.437 -17.284 1.00 0.00 C ATOM 1369 C GLN A 89 5.335 14.597 -16.314 1.00 0.00 C ATOM 1370 O GLN A 89 4.408 15.370 -16.457 1.00 0.00 O ATOM 1371 CB GLN A 89 6.064 13.980 -18.622 1.00 0.00 C ATOM 1372 CG GLN A 89 6.931 12.924 -19.309 1.00 0.00 C ATOM 1373 CD GLN A 89 8.178 12.657 -18.464 1.00 0.00 C ATOM 1374 OE1 GLN A 89 8.435 13.351 -17.501 1.00 0.00 O ATOM 1375 NE2 GLN A 89 8.971 11.673 -18.787 1.00 0.00 N ATOM 0 H GLN A 89 3.584 13.218 -18.069 1.00 0.00 H new ATOM 0 HA GLN A 89 6.294 12.749 -16.870 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.222 14.245 -19.261 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.641 14.891 -18.461 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.364 12.002 -19.440 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.219 13.266 -20.303 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.756 11.089 -19.596 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.806 11.487 -18.231 1.00 0.00 H new ATOM 1384 N SER A 90 6.176 14.725 -15.324 1.00 0.00 N ATOM 1385 CA SER A 90 6.006 15.836 -14.345 1.00 0.00 C ATOM 1386 C SER A 90 7.272 15.970 -13.498 1.00 0.00 C ATOM 1387 O SER A 90 7.959 15.003 -13.233 1.00 0.00 O ATOM 1388 CB SER A 90 4.814 15.535 -13.436 1.00 0.00 C ATOM 1389 OG SER A 90 5.052 14.320 -12.737 1.00 0.00 O ATOM 0 H SER A 90 6.971 14.110 -15.151 1.00 0.00 H new ATOM 0 HA SER A 90 5.829 16.768 -14.881 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.665 16.352 -12.729 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.902 15.455 -14.027 1.00 0.00 H new ATOM 0 HG SER A 90 4.291 14.125 -12.152 1.00 0.00 H new ATOM 1395 N ALA A 91 7.587 17.161 -13.071 1.00 0.00 N ATOM 1396 CA ALA A 91 8.808 17.356 -12.241 1.00 0.00 C ATOM 1397 C ALA A 91 8.693 16.523 -10.963 1.00 0.00 C ATOM 1398 O ALA A 91 7.610 16.226 -10.500 1.00 0.00 O ATOM 1399 CB ALA A 91 8.944 18.835 -11.875 1.00 0.00 C ATOM 0 H ALA A 91 7.051 18.008 -13.261 1.00 0.00 H new ATOM 0 HA ALA A 91 9.686 17.039 -12.804 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.837 18.979 -11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.025 19.429 -12.785 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.067 19.152 -11.311 1.00 0.00 H new ATOM 1405 N LEU A 92 9.801 16.143 -10.389 1.00 0.00 N ATOM 1406 CA LEU A 92 9.753 15.331 -9.142 1.00 0.00 C ATOM 1407 C LEU A 92 9.447 16.244 -7.953 1.00 0.00 C ATOM 1408 O LEU A 92 10.338 16.764 -7.311 1.00 0.00 O ATOM 1409 CB LEU A 92 11.104 14.646 -8.924 1.00 0.00 C ATOM 1410 CG LEU A 92 10.924 13.453 -7.985 1.00 0.00 C ATOM 1411 CD1 LEU A 92 10.004 12.421 -8.639 1.00 0.00 C ATOM 1412 CD2 LEU A 92 12.286 12.814 -7.704 1.00 0.00 C ATOM 0 H LEU A 92 10.737 16.360 -10.730 1.00 0.00 H new ATOM 0 HA LEU A 92 8.974 14.574 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.513 14.313 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.818 15.352 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 92 10.481 13.793 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.876 11.571 -7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.033 12.874 -8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.446 12.081 -9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.158 11.963 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.729 12.475 -8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.943 13.548 -7.237 1.00 0.00 H new ATOM 1424 N ASP A 93 8.193 16.443 -7.653 1.00 0.00 N ATOM 1425 CA ASP A 93 7.831 17.323 -6.507 1.00 0.00 C ATOM 1426 C ASP A 93 6.606 16.750 -5.790 1.00 0.00 C ATOM 1427 O ASP A 93 5.544 16.618 -6.365 1.00 0.00 O ATOM 1428 CB ASP A 93 7.510 18.726 -7.025 1.00 0.00 C ATOM 1429 CG ASP A 93 8.663 19.672 -6.687 1.00 0.00 C ATOM 1430 OD1 ASP A 93 9.768 19.189 -6.510 1.00 0.00 O ATOM 1431 OD2 ASP A 93 8.421 20.866 -6.611 1.00 0.00 O ATOM 0 H ASP A 93 7.403 16.034 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 93 8.667 17.375 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.352 18.700 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.585 19.088 -6.576 1.00 0.00 H new ATOM 1436 N ALA A 94 6.747 16.405 -4.539 1.00 0.00 N ATOM 1437 CA ALA A 94 5.591 15.837 -3.788 1.00 0.00 C ATOM 1438 C ALA A 94 4.358 16.718 -4.003 1.00 0.00 C ATOM 1439 O ALA A 94 3.293 16.238 -4.339 1.00 0.00 O ATOM 1440 CB ALA A 94 5.929 15.781 -2.296 1.00 0.00 C ATOM 0 H ALA A 94 7.612 16.492 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 94 5.382 14.830 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.084 15.366 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.805 15.150 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.139 16.787 -1.932 1.00 0.00 H new ATOM 1446 N LYS A 95 4.491 18.002 -3.810 1.00 0.00 N ATOM 1447 CA LYS A 95 3.324 18.909 -4.004 1.00 0.00 C ATOM 1448 C LYS A 95 2.658 18.606 -5.349 1.00 0.00 C ATOM 1449 O LYS A 95 1.449 18.528 -5.450 1.00 0.00 O ATOM 1450 CB LYS A 95 3.799 20.364 -3.990 1.00 0.00 C ATOM 1451 CG LYS A 95 4.542 20.650 -2.684 1.00 0.00 C ATOM 1452 CD LYS A 95 4.200 22.061 -2.198 1.00 0.00 C ATOM 1453 CE LYS A 95 2.781 22.079 -1.626 1.00 0.00 C ATOM 1454 NZ LYS A 95 1.923 22.972 -2.455 1.00 0.00 N ATOM 0 H LYS A 95 5.356 18.462 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 95 2.607 18.752 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.454 20.551 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.947 21.036 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.264 19.916 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.617 20.558 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.913 22.377 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.279 22.769 -3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.369 21.070 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.798 22.429 -0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.959 22.584 -2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.895 23.920 -2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.315 23.036 -3.416 1.00 0.00 H new ATOM 1468 N LEU A 96 3.436 18.440 -6.383 1.00 0.00 N ATOM 1469 CA LEU A 96 2.850 18.146 -7.722 1.00 0.00 C ATOM 1470 C LEU A 96 2.220 16.751 -7.712 1.00 0.00 C ATOM 1471 O LEU A 96 1.122 16.551 -8.195 1.00 0.00 O ATOM 1472 CB LEU A 96 3.954 18.200 -8.782 1.00 0.00 C ATOM 1473 CG LEU A 96 3.625 19.280 -9.813 1.00 0.00 C ATOM 1474 CD1 LEU A 96 4.883 19.625 -10.613 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.545 18.763 -10.766 1.00 0.00 C ATOM 0 H LEU A 96 4.454 18.495 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 96 2.084 18.886 -7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.914 18.413 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.048 17.231 -9.273 1.00 0.00 H new ATOM 0 HG LEU A 96 3.264 20.171 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.647 20.395 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.655 19.993 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.244 18.733 -11.125 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.310 19.533 -11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.907 17.871 -11.277 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.647 18.517 -10.199 1.00 0.00 H new ATOM 1487 N ILE A 97 2.905 15.783 -7.167 1.00 0.00 N ATOM 1488 CA ILE A 97 2.347 14.402 -7.128 1.00 0.00 C ATOM 1489 C ILE A 97 1.003 14.412 -6.398 1.00 0.00 C ATOM 1490 O ILE A 97 0.132 13.608 -6.668 1.00 0.00 O ATOM 1491 CB ILE A 97 3.315 13.479 -6.389 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.556 13.244 -7.253 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.631 12.140 -6.108 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.747 12.912 -6.355 1.00 0.00 C ATOM 0 H ILE A 97 3.828 15.889 -6.747 1.00 0.00 H new ATOM 0 HA ILE A 97 2.206 14.043 -8.147 1.00 0.00 H new ATOM 0 HB ILE A 97 3.609 13.942 -5.447 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.376 12.428 -7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.772 14.132 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.322 11.482 -5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.747 12.305 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.336 11.677 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.631 12.745 -6.970 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.931 13.742 -5.673 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.529 12.012 -5.780 1.00 0.00 H new ATOM 1506 N ASP A 98 0.828 15.314 -5.472 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.458 15.373 -4.722 1.00 0.00 C ATOM 1508 C ASP A 98 -1.554 15.929 -5.633 1.00 0.00 C ATOM 1509 O ASP A 98 -2.640 15.391 -5.712 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.294 16.282 -3.503 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.654 16.494 -2.837 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.020 15.675 -2.009 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -2.307 17.471 -3.164 1.00 0.00 O ATOM 0 H ASP A 98 1.520 16.013 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.735 14.372 -4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.404 15.836 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.128 17.240 -3.805 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.280 17.004 -6.319 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.307 17.594 -7.223 1.00 0.00 C ATOM 1520 C GLU A 99 -2.657 16.590 -8.323 1.00 0.00 C ATOM 1521 O GLU A 99 -3.812 16.372 -8.632 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.755 18.874 -7.856 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.472 19.906 -6.762 1.00 0.00 C ATOM 1524 CD GLU A 99 -2.197 21.213 -7.090 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -1.778 21.883 -8.019 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -3.158 21.522 -6.405 1.00 0.00 O ATOM 0 H GLU A 99 -0.389 17.500 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.203 17.830 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.841 18.654 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.471 19.276 -8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.804 19.527 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.399 20.083 -6.684 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.670 15.975 -8.916 1.00 0.00 N ATOM 1534 CA GLN A 100 -1.952 14.985 -9.994 1.00 0.00 C ATOM 1535 C GLN A 100 -2.768 13.827 -9.417 1.00 0.00 C ATOM 1536 O GLN A 100 -3.863 13.546 -9.862 1.00 0.00 O ATOM 1537 CB GLN A 100 -0.633 14.452 -10.559 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.496 14.873 -12.024 1.00 0.00 C ATOM 1539 CD GLN A 100 -0.467 16.400 -12.116 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -0.245 17.076 -11.131 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -0.684 16.976 -13.267 1.00 0.00 N ATOM 0 H GLN A 100 -0.683 16.115 -8.701 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.517 15.466 -10.792 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.205 14.838 -9.979 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.603 13.365 -10.478 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.416 14.455 -12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.329 14.479 -12.606 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.870 16.409 -14.094 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.667 17.993 -13.339 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.246 13.153 -8.429 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.001 12.018 -7.827 1.00 0.00 C ATOM 1552 C VAL A 101 -4.411 12.488 -7.470 1.00 0.00 C ATOM 1553 O VAL A 101 -5.378 11.773 -7.641 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.286 11.538 -6.563 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.083 10.397 -5.931 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -0.885 11.040 -6.926 1.00 0.00 C ATOM 0 H VAL A 101 -1.333 13.338 -8.014 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.057 11.196 -8.541 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.206 12.363 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.575 10.054 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.081 10.750 -5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.162 9.572 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.376 10.698 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.964 10.215 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.316 11.852 -7.378 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.536 13.689 -6.974 1.00 0.00 N ATOM 1567 CA GLU A 102 -5.882 14.210 -6.607 1.00 0.00 C ATOM 1568 C GLU A 102 -6.817 14.091 -7.812 1.00 0.00 C ATOM 1569 O GLU A 102 -7.952 13.673 -7.691 1.00 0.00 O ATOM 1570 CB GLU A 102 -5.767 15.679 -6.194 1.00 0.00 C ATOM 1571 CG GLU A 102 -7.104 16.156 -5.624 1.00 0.00 C ATOM 1572 CD GLU A 102 -6.919 17.524 -4.964 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -6.648 18.474 -5.681 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -7.049 17.599 -3.754 1.00 0.00 O ATOM 0 H GLU A 102 -3.762 14.332 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.282 13.631 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.979 15.798 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.488 16.288 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.847 16.221 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.478 15.437 -4.896 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.350 14.453 -8.976 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.213 14.358 -10.187 1.00 0.00 C ATOM 1583 C LYS A 103 -7.541 12.890 -10.460 1.00 0.00 C ATOM 1584 O LYS A 103 -8.666 12.539 -10.754 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.473 14.950 -11.389 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.126 16.412 -11.105 1.00 0.00 C ATOM 1587 CD LYS A 103 -5.762 17.114 -12.415 1.00 0.00 C ATOM 1588 CE LYS A 103 -5.531 18.605 -12.152 1.00 0.00 C ATOM 1589 NZ LYS A 103 -4.146 18.973 -12.559 1.00 0.00 N ATOM 0 H LYS A 103 -5.409 14.810 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.137 14.913 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.564 14.381 -11.586 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.094 14.879 -12.282 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.972 16.913 -10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.292 16.470 -10.405 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.865 16.666 -12.842 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.562 16.983 -13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.255 19.200 -12.709 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.682 18.826 -11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -3.989 19.985 -12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -3.463 18.414 -12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.018 18.776 -13.572 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.567 12.025 -10.364 1.00 0.00 N ATOM 1604 CA LEU A 104 -6.826 10.580 -10.616 1.00 0.00 C ATOM 1605 C LEU A 104 -7.821 10.056 -9.580 1.00 0.00 C ATOM 1606 O LEU A 104 -8.567 9.130 -9.832 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.516 9.796 -10.504 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.616 10.126 -11.696 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.318 9.326 -11.593 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.338 9.759 -12.995 1.00 0.00 C ATOM 0 H LEU A 104 -5.604 12.258 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.238 10.455 -11.617 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.009 10.047 -9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.722 8.726 -10.476 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.387 11.192 -11.694 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.677 9.561 -12.443 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.804 9.585 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.546 8.260 -11.595 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.698 9.994 -13.846 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.566 8.693 -12.996 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.264 10.329 -13.070 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.840 10.643 -8.413 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.786 10.181 -7.360 1.00 0.00 C ATOM 1624 C VAL A 105 -10.203 10.650 -7.702 1.00 0.00 C ATOM 1625 O VAL A 105 -11.145 9.884 -7.676 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.367 10.763 -6.009 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.558 10.742 -5.049 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -7.226 9.925 -5.425 1.00 0.00 C ATOM 0 H VAL A 105 -7.240 11.423 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.768 9.092 -7.308 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.031 11.791 -6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.257 11.157 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.370 11.339 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.896 9.715 -4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.927 10.339 -4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.562 8.897 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.376 9.942 -6.107 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.360 11.906 -8.019 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.716 12.424 -8.360 1.00 0.00 C ATOM 1640 C ASN A 106 -12.254 11.689 -9.590 1.00 0.00 C ATOM 1641 O ASN A 106 -13.348 11.161 -9.581 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.627 13.922 -8.659 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.629 14.706 -7.345 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -12.588 15.383 -7.030 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.589 14.642 -6.559 1.00 0.00 N ATOM 0 H ASN A 106 -9.609 12.595 -8.057 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.389 12.259 -7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.719 14.138 -9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.468 14.230 -9.280 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.581 15.160 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.784 14.074 -6.823 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.494 11.651 -10.651 1.00 0.00 N ATOM 1653 CA LEU A 107 -11.961 10.952 -11.882 1.00 0.00 C ATOM 1654 C LEU A 107 -12.209 9.473 -11.572 1.00 0.00 C ATOM 1655 O LEU A 107 -13.298 8.963 -11.756 1.00 0.00 O ATOM 1656 CB LEU A 107 -10.894 11.075 -12.971 1.00 0.00 C ATOM 1657 CG LEU A 107 -11.225 10.127 -14.125 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -11.088 10.872 -15.453 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -10.258 8.941 -14.104 1.00 0.00 C ATOM 0 H LEU A 107 -10.569 12.075 -10.718 1.00 0.00 H new ATOM 0 HA LEU A 107 -12.889 11.407 -12.228 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.847 12.102 -13.333 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.913 10.836 -12.561 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.247 9.765 -14.015 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.324 10.196 -16.275 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.776 11.717 -15.469 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.066 11.234 -15.563 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.493 8.265 -14.926 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.236 9.303 -14.213 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.355 8.409 -13.158 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.208 8.780 -11.104 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.387 7.335 -10.784 1.00 0.00 C ATOM 1673 C ALA A 108 -12.766 7.119 -10.160 1.00 0.00 C ATOM 1674 O ALA A 108 -13.549 6.315 -10.624 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.306 6.895 -9.794 1.00 0.00 C ATOM 0 H ALA A 108 -10.274 9.151 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.305 6.747 -11.698 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.436 5.839 -9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.322 7.050 -10.237 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.389 7.483 -8.880 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.068 7.832 -9.111 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.395 7.669 -8.456 1.00 0.00 C ATOM 1683 C GLU A 109 -15.497 8.140 -9.408 1.00 0.00 C ATOM 1684 O GLU A 109 -16.593 7.613 -9.412 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.435 8.508 -7.176 1.00 0.00 C ATOM 1686 CG GLU A 109 -13.489 7.902 -6.138 1.00 0.00 C ATOM 1687 CD GLU A 109 -14.154 6.691 -5.483 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -15.021 6.104 -6.111 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -13.789 6.371 -4.364 1.00 0.00 O ATOM 0 H GLU A 109 -12.452 8.521 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.553 6.619 -8.210 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.143 9.536 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.451 8.541 -6.782 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.555 7.604 -6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -13.239 8.646 -5.381 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.217 9.126 -10.213 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.249 9.629 -11.163 1.00 0.00 C ATOM 1698 C LYS A 110 -16.847 8.452 -11.936 1.00 0.00 C ATOM 1699 O LYS A 110 -18.025 8.428 -12.232 1.00 0.00 O ATOM 1700 CB LYS A 110 -15.603 10.609 -12.145 1.00 0.00 C ATOM 1701 CG LYS A 110 -16.688 11.259 -13.006 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.933 12.692 -12.525 1.00 0.00 C ATOM 1703 CE LYS A 110 -18.359 13.114 -12.883 1.00 0.00 C ATOM 1704 NZ LYS A 110 -18.539 13.053 -14.361 1.00 0.00 N ATOM 0 H LYS A 110 -14.318 9.606 -10.255 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.038 10.137 -10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.049 11.374 -11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.886 10.086 -12.778 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -16.383 11.263 -14.052 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.610 10.681 -12.945 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.783 12.756 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.215 13.370 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -19.078 12.459 -12.391 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -18.551 14.125 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.410 13.557 -14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.725 13.500 -14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.608 12.060 -14.662 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.046 7.477 -12.268 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.575 6.305 -13.023 1.00 0.00 C ATOM 1720 C PHE A 111 -16.868 5.158 -12.055 1.00 0.00 C ATOM 1721 O PHE A 111 -18.003 4.902 -11.706 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.537 5.849 -14.051 1.00 0.00 C ATOM 1723 CG PHE A 111 -15.479 6.845 -15.184 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -16.489 6.859 -16.154 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -14.418 7.754 -15.265 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -16.436 7.782 -17.205 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -14.366 8.678 -16.317 1.00 0.00 C ATOM 1728 CZ PHE A 111 -15.375 8.691 -17.286 1.00 0.00 C ATOM 0 H PHE A 111 -15.050 7.441 -12.050 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.494 6.591 -13.534 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.558 5.760 -13.580 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.797 4.862 -14.433 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -17.308 6.158 -16.091 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.639 7.743 -14.517 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -17.214 7.793 -17.954 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.547 9.380 -16.380 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.335 9.403 -18.097 1.00 0.00 H new ATOM 1738 N ASP A 112 -15.853 4.465 -11.617 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.076 3.335 -10.672 1.00 0.00 C ATOM 1740 C ASP A 112 -14.797 2.497 -10.562 1.00 0.00 C ATOM 1741 O ASP A 112 -14.843 1.302 -10.348 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.220 2.459 -11.189 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.472 2.703 -10.343 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.552 3.752 -9.727 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.330 1.836 -10.326 1.00 0.00 O ATOM 0 H ASP A 112 -14.880 4.632 -11.872 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.334 3.729 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.424 2.689 -12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.936 1.408 -11.143 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.655 3.115 -10.705 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.375 2.356 -10.608 1.00 0.00 C ATOM 1752 C ILE A 113 -11.632 2.769 -9.334 1.00 0.00 C ATOM 1753 O ILE A 113 -11.556 3.934 -8.997 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.506 2.666 -11.828 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.394 4.183 -12.003 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.143 2.058 -13.078 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.333 4.500 -13.059 1.00 0.00 C ATOM 0 H ILE A 113 -13.554 4.114 -10.885 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.587 1.287 -10.574 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.513 2.241 -11.682 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.356 4.597 -12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -11.129 4.650 -11.055 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.523 2.279 -13.947 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.224 0.978 -12.956 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.136 2.483 -13.223 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.254 5.580 -13.183 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.371 4.100 -12.739 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -10.617 4.046 -14.008 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.081 1.821 -8.624 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.342 2.159 -7.373 1.00 0.00 C ATOM 1771 C ILE A 114 -8.905 2.550 -7.724 1.00 0.00 C ATOM 1772 O ILE A 114 -8.197 1.818 -8.387 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.339 0.939 -6.442 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.092 0.956 -5.549 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.340 -0.340 -7.281 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.014 2.284 -4.791 1.00 0.00 C ATOM 0 H ILE A 114 -11.111 0.828 -8.856 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.828 2.995 -6.870 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.229 0.972 -5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.128 0.126 -4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.197 0.820 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.338 -1.208 -6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.231 -0.363 -7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.452 -0.362 -7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.126 2.290 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -8.958 3.107 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.902 2.402 -4.171 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.469 3.700 -7.290 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.079 4.136 -7.602 1.00 0.00 C ATOM 1790 C TYR A 115 -6.151 3.763 -6.444 1.00 0.00 C ATOM 1791 O TYR A 115 -6.238 4.311 -5.364 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.053 5.652 -7.804 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.658 6.170 -7.545 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.683 6.083 -8.545 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.340 6.738 -6.305 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.389 6.562 -8.305 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.048 7.218 -6.065 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.073 7.130 -7.066 1.00 0.00 C ATOM 1799 OH TYR A 115 -1.798 7.604 -6.830 1.00 0.00 O ATOM 0 H TYR A 115 -9.015 4.357 -6.733 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.741 3.640 -8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.362 5.900 -8.820 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.762 6.132 -7.129 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.928 5.646 -9.502 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.093 6.806 -5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.636 6.493 -9.076 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.803 7.656 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.699 7.817 -5.879 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.259 2.835 -6.662 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.325 2.430 -5.574 1.00 0.00 C ATOM 1811 C ASP A 116 -3.065 1.815 -6.187 1.00 0.00 C ATOM 1812 O ASP A 116 -2.950 0.612 -6.314 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.010 1.400 -4.671 1.00 0.00 C ATOM 1814 CG ASP A 116 -3.975 0.763 -3.741 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -3.368 -0.216 -4.144 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -3.809 1.264 -2.640 1.00 0.00 O ATOM 0 H ASP A 116 -5.137 2.341 -7.546 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.052 3.305 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -5.794 1.880 -4.085 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.490 0.632 -5.277 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.119 2.630 -6.572 1.00 0.00 N ATOM 1822 CA GLY A 117 -0.870 2.083 -7.176 1.00 0.00 C ATOM 1823 C GLY A 117 -0.162 3.171 -7.987 1.00 0.00 C ATOM 1824 O GLY A 117 -0.424 3.357 -9.157 1.00 0.00 O ATOM 0 H GLY A 117 -2.157 3.646 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.209 1.713 -6.392 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.108 1.235 -7.819 1.00 0.00 H new ATOM 1828 N TRP A 118 0.744 3.885 -7.375 1.00 0.00 N ATOM 1829 CA TRP A 118 1.476 4.951 -8.117 1.00 0.00 C ATOM 1830 C TRP A 118 2.972 4.847 -7.802 1.00 0.00 C ATOM 1831 O TRP A 118 3.400 5.076 -6.688 1.00 0.00 O ATOM 1832 CB TRP A 118 0.940 6.329 -7.702 1.00 0.00 C ATOM 1833 CG TRP A 118 1.760 6.884 -6.580 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.445 6.795 -5.268 1.00 0.00 C ATOM 1835 CD2 TRP A 118 3.022 7.609 -6.649 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.432 7.418 -4.527 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.426 7.937 -5.334 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.848 8.011 -7.715 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.607 8.637 -5.083 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 5.038 8.716 -7.468 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.416 9.028 -6.154 1.00 0.00 C ATOM 0 H TRP A 118 1.008 3.777 -6.396 1.00 0.00 H new ATOM 0 HA TRP A 118 1.326 4.825 -9.189 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.967 7.009 -8.553 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.102 6.245 -7.394 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.565 6.315 -4.865 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.427 7.486 -3.509 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.565 7.776 -8.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.894 8.875 -4.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.665 9.019 -8.294 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.332 9.570 -5.970 1.00 0.00 H new ATOM 1852 N GLY A 119 3.771 4.496 -8.772 1.00 0.00 N ATOM 1853 CA GLY A 119 5.235 4.373 -8.521 1.00 0.00 C ATOM 1854 C GLY A 119 6.007 5.169 -9.574 1.00 0.00 C ATOM 1855 O GLY A 119 5.489 5.495 -10.623 1.00 0.00 O ATOM 0 H GLY A 119 3.474 4.289 -9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.475 4.742 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.532 3.325 -8.553 1.00 0.00 H new ATOM 1859 N THR A 120 7.244 5.484 -9.303 1.00 0.00 N ATOM 1860 CA THR A 120 8.048 6.258 -10.289 1.00 0.00 C ATOM 1861 C THR A 120 9.193 5.387 -10.811 1.00 0.00 C ATOM 1862 O THR A 120 9.520 4.366 -10.239 1.00 0.00 O ATOM 1863 CB THR A 120 8.624 7.504 -9.613 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.788 7.924 -10.310 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.984 7.178 -8.163 1.00 0.00 C ATOM 0 H THR A 120 7.732 5.239 -8.442 1.00 0.00 H new ATOM 0 HA THR A 120 7.410 6.557 -11.121 1.00 0.00 H new ATOM 0 HB THR A 120 7.883 8.303 -9.630 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.041 8.823 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.394 8.066 -7.682 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.090 6.857 -7.629 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.725 6.379 -8.143 1.00 0.00 H new ATOM 1873 N TYR A 121 9.805 5.785 -11.892 1.00 0.00 N ATOM 1874 CA TYR A 121 10.929 4.982 -12.450 1.00 0.00 C ATOM 1875 C TYR A 121 12.051 5.924 -12.892 1.00 0.00 C ATOM 1876 O TYR A 121 11.841 6.830 -13.674 1.00 0.00 O ATOM 1877 CB TYR A 121 10.434 4.179 -13.654 1.00 0.00 C ATOM 1878 CG TYR A 121 10.996 2.779 -13.594 1.00 0.00 C ATOM 1879 CD1 TYR A 121 10.784 1.985 -12.460 1.00 0.00 C ATOM 1880 CD2 TYR A 121 11.730 2.272 -14.674 1.00 0.00 C ATOM 1881 CE1 TYR A 121 11.305 0.687 -12.406 1.00 0.00 C ATOM 1882 CE2 TYR A 121 12.250 0.974 -14.621 1.00 0.00 C ATOM 1883 CZ TYR A 121 12.038 0.182 -13.487 1.00 0.00 C ATOM 1884 OH TYR A 121 12.550 -1.099 -13.434 1.00 0.00 O ATOM 0 H TYR A 121 9.575 6.631 -12.413 1.00 0.00 H new ATOM 0 HA TYR A 121 11.304 4.298 -11.688 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.345 4.145 -13.658 1.00 0.00 H new ATOM 0 HB3 TYR A 121 10.741 4.666 -14.580 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.218 2.374 -11.627 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.895 2.884 -15.549 1.00 0.00 H new ATOM 0 HE1 TYR A 121 11.142 0.075 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 121 12.815 0.584 -15.455 1.00 0.00 H new ATOM 0 HH TYR A 121 13.031 -1.294 -14.265 1.00 0.00 H new