USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 467 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 29 GLN : amide:sc= -0.851 X(o=-0.85,f=-0.41) USER MOD Single : A 48 GLN : amide:sc= -1.22! K(o=-1.2!,f=0.99) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -160:sc= -0.812 USER MOD Single : A 73 MET CE :methyl 144:sc= -0.303 (180deg=-1.38!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.473) USER MOD ----------------------------------------------------------------- ATOM 183 N LEU A 13 -4.423 -6.533 -1.578 1.00 0.00 N ATOM 184 CA LEU A 13 -3.639 -6.599 -0.349 1.00 0.00 C ATOM 185 C LEU A 13 -2.199 -6.113 -0.571 1.00 0.00 C ATOM 186 O LEU A 13 -1.693 -5.285 0.187 1.00 0.00 O ATOM 187 CB LEU A 13 -3.620 -8.055 0.142 1.00 0.00 C ATOM 188 CG LEU A 13 -4.945 -8.435 0.842 1.00 0.00 C ATOM 189 CD1 LEU A 13 -6.170 -7.942 0.056 1.00 0.00 C ATOM 190 CD2 LEU A 13 -5.026 -9.961 0.942 1.00 0.00 C ATOM 0 HA LEU A 13 -4.098 -5.947 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.449 -8.723 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.789 -8.196 0.833 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.953 -7.965 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.080 -8.230 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.131 -6.856 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.169 -8.389 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.956 -10.245 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.998 -10.393 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.181 -10.333 1.521 1.00 0.00 H new ATOM 202 N ARG A 14 -1.542 -6.644 -1.600 1.00 0.00 N ATOM 203 CA ARG A 14 -0.156 -6.273 -1.896 1.00 0.00 C ATOM 204 C ARG A 14 0.009 -4.759 -2.069 1.00 0.00 C ATOM 205 O ARG A 14 1.059 -4.208 -1.740 1.00 0.00 O ATOM 206 CB ARG A 14 0.319 -6.986 -3.173 1.00 0.00 C ATOM 207 CG ARG A 14 0.597 -8.462 -2.871 1.00 0.00 C ATOM 208 CD ARG A 14 0.748 -9.236 -4.183 1.00 0.00 C ATOM 209 NE ARG A 14 1.669 -8.548 -5.079 1.00 0.00 N ATOM 210 CZ ARG A 14 1.886 -8.992 -6.313 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.263 -10.055 -6.744 1.00 0.00 N ATOM 212 NH2 ARG A 14 2.719 -8.363 -7.097 1.00 0.00 N ATOM 0 H ARG A 14 -1.942 -7.329 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 14 0.451 -6.584 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.439 -6.901 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.221 -6.507 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.505 -8.557 -2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.217 -8.882 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.114 -10.242 -3.978 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.225 -9.342 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 14 2.155 -7.712 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.609 -10.545 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.430 -10.395 -7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.204 -7.530 -6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.885 -8.704 -8.044 1.00 0.00 H new ATOM 226 N ILE A 15 -1.012 -4.093 -2.595 1.00 0.00 N ATOM 227 CA ILE A 15 -0.930 -2.648 -2.813 1.00 0.00 C ATOM 228 C ILE A 15 -0.772 -1.895 -1.496 1.00 0.00 C ATOM 229 O ILE A 15 -0.402 -0.721 -1.491 1.00 0.00 O ATOM 230 CB ILE A 15 -2.188 -2.141 -3.529 1.00 0.00 C ATOM 231 CG1 ILE A 15 -2.456 -2.962 -4.798 1.00 0.00 C ATOM 232 CG2 ILE A 15 -2.004 -0.670 -3.912 1.00 0.00 C ATOM 233 CD1 ILE A 15 -1.196 -3.039 -5.667 1.00 0.00 C ATOM 0 H ILE A 15 -1.895 -4.519 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.053 -2.463 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.037 -2.247 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.779 -3.967 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.269 -2.509 -5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.899 -0.312 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.836 -0.078 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.145 -0.572 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.406 -3.625 -6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.891 -2.033 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.393 -3.514 -5.103 1.00 0.00 H new ATOM 245 N ALA A 16 -1.067 -2.557 -0.378 1.00 0.00 N ATOM 246 CA ALA A 16 -0.965 -1.916 0.930 1.00 0.00 C ATOM 247 C ALA A 16 0.321 -2.304 1.644 1.00 0.00 C ATOM 248 O ALA A 16 0.737 -1.636 2.587 1.00 0.00 O ATOM 249 CB ALA A 16 -2.179 -2.276 1.782 1.00 0.00 C ATOM 0 H ALA A 16 -1.376 -3.529 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.942 -0.837 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.096 -1.794 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.087 -1.934 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.223 -3.357 1.915 1.00 0.00 H new ATOM 255 N LEU A 17 0.966 -3.362 1.181 1.00 0.00 N ATOM 256 CA LEU A 17 2.224 -3.771 1.790 1.00 0.00 C ATOM 257 C LEU A 17 3.280 -2.731 1.437 1.00 0.00 C ATOM 258 O LEU A 17 4.209 -2.477 2.204 1.00 0.00 O ATOM 259 CB LEU A 17 2.646 -5.167 1.283 1.00 0.00 C ATOM 260 CG LEU A 17 2.149 -6.268 2.243 1.00 0.00 C ATOM 261 CD1 LEU A 17 2.867 -6.167 3.609 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.629 -6.134 2.437 1.00 0.00 C ATOM 0 H LEU A 17 0.650 -3.943 0.404 1.00 0.00 H new ATOM 0 HA LEU A 17 2.111 -3.837 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.239 -5.336 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.731 -5.215 1.197 1.00 0.00 H new ATOM 0 HG LEU A 17 2.376 -7.241 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.502 -6.952 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.941 -6.284 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.665 -5.193 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.279 -6.912 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.401 -5.155 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.129 -6.240 1.474 1.00 0.00 H new ATOM 274 N ALA A 18 3.110 -2.126 0.269 1.00 0.00 N ATOM 275 CA ALA A 18 4.026 -1.101 -0.198 1.00 0.00 C ATOM 276 C ALA A 18 4.115 0.030 0.820 1.00 0.00 C ATOM 277 O ALA A 18 5.204 0.501 1.136 1.00 0.00 O ATOM 278 CB ALA A 18 3.538 -0.565 -1.540 1.00 0.00 C ATOM 0 H ALA A 18 2.343 -2.330 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 18 5.020 -1.532 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.223 0.205 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.500 -1.378 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.542 -0.138 -1.421 1.00 0.00 H new ATOM 284 N ALA A 19 2.964 0.459 1.335 1.00 0.00 N ATOM 285 CA ALA A 19 2.945 1.535 2.328 1.00 0.00 C ATOM 286 C ALA A 19 4.076 1.330 3.333 1.00 0.00 C ATOM 287 O ALA A 19 4.705 2.288 3.785 1.00 0.00 O ATOM 288 CB ALA A 19 1.598 1.573 3.052 1.00 0.00 C ATOM 0 H ALA A 19 2.047 0.087 1.088 1.00 0.00 H new ATOM 0 HA ALA A 19 3.088 2.487 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.602 2.379 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.801 1.745 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.430 0.622 3.558 1.00 0.00 H new ATOM 294 N ARG A 20 4.336 0.067 3.663 1.00 0.00 N ATOM 295 CA ARG A 20 5.403 -0.263 4.596 1.00 0.00 C ATOM 296 C ARG A 20 6.755 0.118 3.997 1.00 0.00 C ATOM 297 O ARG A 20 7.625 0.647 4.690 1.00 0.00 O ATOM 298 CB ARG A 20 5.372 -1.762 4.905 1.00 0.00 C ATOM 299 CG ARG A 20 6.225 -2.053 6.139 1.00 0.00 C ATOM 300 CD ARG A 20 6.091 -3.530 6.513 1.00 0.00 C ATOM 301 NE ARG A 20 7.044 -3.869 7.565 1.00 0.00 N ATOM 302 CZ ARG A 20 8.296 -4.221 7.280 1.00 0.00 C ATOM 303 NH1 ARG A 20 8.691 -4.281 6.037 1.00 0.00 N ATOM 304 NH2 ARG A 20 9.129 -4.507 8.243 1.00 0.00 N ATOM 0 H ARG A 20 3.825 -0.737 3.300 1.00 0.00 H new ATOM 0 HA ARG A 20 5.256 0.296 5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.346 -2.086 5.076 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.746 -2.327 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.269 -1.811 5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.906 -1.425 6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.076 -3.737 6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.268 -4.153 5.636 1.00 0.00 H new ATOM 0 HE ARG A 20 6.744 -3.836 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.040 -4.058 5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.650 -4.551 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.821 -4.461 9.214 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.088 -4.777 8.024 1.00 0.00 H new ATOM 318 N ALA A 21 6.918 -0.147 2.702 1.00 0.00 N ATOM 319 CA ALA A 21 8.163 0.177 2.008 1.00 0.00 C ATOM 320 C ALA A 21 8.462 1.659 2.112 1.00 0.00 C ATOM 321 O ALA A 21 9.500 2.124 1.642 1.00 0.00 O ATOM 322 CB ALA A 21 8.046 -0.162 0.523 1.00 0.00 C ATOM 0 H ALA A 21 6.207 -0.583 2.114 1.00 0.00 H new ATOM 0 HA ALA A 21 8.958 -0.404 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.980 0.085 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.841 -1.226 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.233 0.414 0.081 1.00 0.00 H new ATOM 328 N LEU A 22 7.534 2.402 2.700 1.00 0.00 N ATOM 329 CA LEU A 22 7.680 3.848 2.836 1.00 0.00 C ATOM 330 C LEU A 22 7.711 4.240 4.324 1.00 0.00 C ATOM 331 O LEU A 22 6.959 3.681 5.120 1.00 0.00 O ATOM 332 CB LEU A 22 6.488 4.525 2.150 1.00 0.00 C ATOM 333 CG LEU A 22 6.188 3.856 0.792 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.902 4.452 0.207 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.366 4.075 -0.179 1.00 0.00 C ATOM 0 H LEU A 22 6.670 2.028 3.092 1.00 0.00 H new ATOM 0 HA LEU A 22 8.613 4.168 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.610 4.464 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.701 5.583 2.000 1.00 0.00 H new ATOM 0 HG LEU A 22 6.055 2.784 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.687 3.982 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.074 4.273 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.030 5.525 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.144 3.599 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.517 5.143 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.271 3.638 0.242 1.00 0.00 H new ATOM 347 N PRO A 23 8.553 5.175 4.722 1.00 0.00 N ATOM 348 CA PRO A 23 8.642 5.601 6.149 1.00 0.00 C ATOM 349 C PRO A 23 7.275 5.686 6.830 1.00 0.00 C ATOM 350 O PRO A 23 6.954 4.874 7.698 1.00 0.00 O ATOM 351 CB PRO A 23 9.313 6.982 6.087 1.00 0.00 C ATOM 352 CG PRO A 23 10.097 7.001 4.805 1.00 0.00 C ATOM 353 CD PRO A 23 9.509 5.916 3.878 1.00 0.00 C ATOM 0 HA PRO A 23 9.200 4.879 6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.569 7.779 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.965 7.138 6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.035 7.982 4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.152 6.807 4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.013 6.360 3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.289 5.259 3.494 1.00 0.00 H new ATOM 361 N GLY A 24 6.484 6.687 6.445 1.00 0.00 N ATOM 362 CA GLY A 24 5.163 6.890 7.038 1.00 0.00 C ATOM 363 C GLY A 24 4.108 7.161 5.973 1.00 0.00 C ATOM 364 O GLY A 24 2.935 7.348 6.290 1.00 0.00 O ATOM 0 H GLY A 24 6.734 7.368 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.882 6.008 7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.201 7.727 7.735 1.00 0.00 H new ATOM 368 N THR A 25 4.520 7.174 4.709 1.00 0.00 N ATOM 369 CA THR A 25 3.569 7.420 3.629 1.00 0.00 C ATOM 370 C THR A 25 2.451 6.385 3.686 1.00 0.00 C ATOM 371 O THR A 25 2.702 5.187 3.813 1.00 0.00 O ATOM 372 CB THR A 25 4.266 7.362 2.270 1.00 0.00 C ATOM 373 OG1 THR A 25 5.434 8.169 2.303 1.00 0.00 O ATOM 374 CG2 THR A 25 3.319 7.871 1.180 1.00 0.00 C ATOM 0 H THR A 25 5.483 7.021 4.411 1.00 0.00 H new ATOM 0 HA THR A 25 3.148 8.417 3.755 1.00 0.00 H new ATOM 0 HB THR A 25 4.543 6.331 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.883 8.131 1.433 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.820 7.828 0.213 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.426 7.247 1.154 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.036 8.901 1.396 1.00 0.00 H new ATOM 382 N THR A 26 1.217 6.862 3.619 1.00 0.00 N ATOM 383 CA THR A 26 0.057 5.998 3.693 1.00 0.00 C ATOM 384 C THR A 26 -0.212 5.293 2.363 1.00 0.00 C ATOM 385 O THR A 26 0.260 5.715 1.308 1.00 0.00 O ATOM 386 CB THR A 26 -1.155 6.857 4.093 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.700 7.991 4.819 1.00 0.00 O ATOM 388 CG2 THR A 26 -2.106 6.052 4.969 1.00 0.00 C ATOM 0 H THR A 26 0.996 7.852 3.513 1.00 0.00 H new ATOM 0 HA THR A 26 0.240 5.220 4.434 1.00 0.00 H new ATOM 0 HB THR A 26 -1.682 7.172 3.193 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.467 8.544 5.076 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.959 6.672 5.245 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.455 5.178 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.585 5.729 5.871 1.00 0.00 H new ATOM 396 N VAL A 27 -0.981 4.214 2.438 1.00 0.00 N ATOM 397 CA VAL A 27 -1.329 3.441 1.252 1.00 0.00 C ATOM 398 C VAL A 27 -2.037 4.328 0.239 1.00 0.00 C ATOM 399 O VAL A 27 -1.624 4.426 -0.915 1.00 0.00 O ATOM 400 CB VAL A 27 -2.257 2.276 1.632 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.453 1.356 0.423 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.654 1.467 2.790 1.00 0.00 C ATOM 0 H VAL A 27 -1.376 3.854 3.307 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.411 3.048 0.815 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.218 2.685 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.111 0.531 0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.899 1.921 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.488 0.960 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.323 0.646 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.686 1.066 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.524 2.114 3.657 1.00 0.00 H new ATOM 412 N GLY A 28 -3.120 4.956 0.678 1.00 0.00 N ATOM 413 CA GLY A 28 -3.901 5.817 -0.197 1.00 0.00 C ATOM 414 C GLY A 28 -3.195 7.136 -0.494 1.00 0.00 C ATOM 415 O GLY A 28 -3.789 8.028 -1.092 1.00 0.00 O ATOM 0 H GLY A 28 -3.476 4.885 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.100 5.295 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.867 6.021 0.265 1.00 0.00 H new ATOM 419 N GLN A 29 -1.929 7.273 -0.086 1.00 0.00 N ATOM 420 CA GLN A 29 -1.193 8.514 -0.347 1.00 0.00 C ATOM 421 C GLN A 29 -0.274 8.330 -1.548 1.00 0.00 C ATOM 422 O GLN A 29 0.151 9.303 -2.168 1.00 0.00 O ATOM 423 CB GLN A 29 -0.372 8.919 0.889 1.00 0.00 C ATOM 424 CG GLN A 29 -1.264 9.678 1.879 1.00 0.00 C ATOM 425 CD GLN A 29 -1.577 11.067 1.333 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.815 12.009 1.553 1.00 0.00 O ATOM 427 NE2 GLN A 29 -2.660 11.252 0.627 1.00 0.00 N ATOM 0 H GLN A 29 -1.402 6.558 0.415 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.908 9.307 -0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.045 8.032 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.469 9.545 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.189 9.126 2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.764 9.761 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.290 10.471 0.446 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.876 12.178 0.257 1.00 0.00 H new ATOM 436 N LEU A 30 0.032 7.075 -1.870 1.00 0.00 N ATOM 437 CA LEU A 30 0.912 6.769 -2.999 1.00 0.00 C ATOM 438 C LEU A 30 0.100 6.391 -4.240 1.00 0.00 C ATOM 439 O LEU A 30 0.587 6.519 -5.363 1.00 0.00 O ATOM 440 CB LEU A 30 1.859 5.626 -2.606 1.00 0.00 C ATOM 441 CG LEU A 30 2.686 5.149 -3.811 1.00 0.00 C ATOM 442 CD1 LEU A 30 3.492 6.319 -4.390 1.00 0.00 C ATOM 443 CD2 LEU A 30 3.652 4.039 -3.360 1.00 0.00 C ATOM 0 H LEU A 30 -0.314 6.256 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 30 1.496 7.656 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.527 5.961 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.281 4.793 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 30 2.013 4.764 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.075 5.972 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.810 7.106 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.164 6.711 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.239 3.699 -4.213 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.320 4.428 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.082 3.203 -2.956 1.00 0.00 H new ATOM 455 N LEU A 31 -1.135 5.920 -4.047 1.00 0.00 N ATOM 456 CA LEU A 31 -1.983 5.527 -5.178 1.00 0.00 C ATOM 457 C LEU A 31 -2.859 6.697 -5.634 1.00 0.00 C ATOM 458 O LEU A 31 -2.968 6.973 -6.829 1.00 0.00 O ATOM 459 CB LEU A 31 -2.884 4.349 -4.765 1.00 0.00 C ATOM 460 CG LEU A 31 -2.099 3.026 -4.802 1.00 0.00 C ATOM 461 CD1 LEU A 31 -1.752 2.632 -6.253 1.00 0.00 C ATOM 462 CD2 LEU A 31 -0.812 3.173 -3.981 1.00 0.00 C ATOM 0 H LEU A 31 -1.567 5.802 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.337 5.230 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.275 4.518 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.741 4.288 -5.435 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.721 2.240 -4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.197 1.694 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.671 2.510 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.142 3.414 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.255 2.236 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.200 3.970 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.065 3.417 -2.949 1.00 0.00 H new ATOM 715 N LEU A 47 -1.668 0.477 -13.362 1.00 0.00 N ATOM 716 CA LEU A 47 -0.696 1.304 -12.653 1.00 0.00 C ATOM 717 C LEU A 47 0.555 1.498 -13.510 1.00 0.00 C ATOM 718 O LEU A 47 1.145 2.576 -13.532 1.00 0.00 O ATOM 719 CB LEU A 47 -0.333 0.632 -11.312 1.00 0.00 C ATOM 720 CG LEU A 47 0.044 1.681 -10.244 1.00 0.00 C ATOM 721 CD1 LEU A 47 1.180 2.579 -10.756 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.183 2.546 -9.873 1.00 0.00 C ATOM 0 HA LEU A 47 -1.130 2.284 -12.454 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.177 0.038 -10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.500 -0.055 -11.461 1.00 0.00 H new ATOM 0 HG LEU A 47 0.382 1.153 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.435 3.314 -9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.055 1.968 -10.978 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.857 3.093 -11.661 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.897 3.279 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.546 3.062 -10.762 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.972 1.907 -9.477 1.00 0.00 H new ATOM 734 N GLN A 48 0.948 0.442 -14.211 1.00 0.00 N ATOM 735 CA GLN A 48 2.127 0.494 -15.069 1.00 0.00 C ATOM 736 C GLN A 48 1.948 1.541 -16.164 1.00 0.00 C ATOM 737 O GLN A 48 1.778 1.208 -17.337 1.00 0.00 O ATOM 738 CB GLN A 48 2.375 -0.875 -15.699 1.00 0.00 C ATOM 739 CG GLN A 48 2.473 -1.931 -14.594 1.00 0.00 C ATOM 740 CD GLN A 48 3.064 -3.219 -15.157 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.385 -4.137 -14.403 1.00 0.00 O ATOM 742 NE2 GLN A 48 3.227 -3.342 -16.446 1.00 0.00 N ATOM 0 H GLN A 48 0.470 -0.459 -14.203 1.00 0.00 H new ATOM 0 HA GLN A 48 2.986 0.771 -14.458 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.566 -1.124 -16.385 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.295 -0.858 -16.284 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.096 -1.561 -13.779 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.485 -2.126 -14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.960 -2.580 -17.069 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.621 -4.201 -16.831 1.00 0.00 H new ATOM 751 N GLY A 49 1.989 2.810 -15.768 1.00 0.00 N ATOM 752 CA GLY A 49 1.832 3.913 -16.713 1.00 0.00 C ATOM 753 C GLY A 49 2.501 5.176 -16.182 1.00 0.00 C ATOM 754 O GLY A 49 2.413 6.242 -16.793 1.00 0.00 O ATOM 0 H GLY A 49 2.129 3.101 -14.800 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.269 3.640 -17.674 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.773 4.102 -16.887 1.00 0.00 H new ATOM 758 N VAL A 50 3.181 5.043 -15.043 1.00 0.00 N ATOM 759 CA VAL A 50 3.886 6.169 -14.422 1.00 0.00 C ATOM 760 C VAL A 50 5.360 5.801 -14.237 1.00 0.00 C ATOM 761 O VAL A 50 5.764 4.679 -14.542 1.00 0.00 O ATOM 762 CB VAL A 50 3.207 6.519 -13.064 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.884 5.790 -11.887 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.269 8.034 -12.817 1.00 0.00 C ATOM 0 H VAL A 50 3.260 4.165 -14.529 1.00 0.00 H new ATOM 0 HA VAL A 50 3.834 7.050 -15.062 1.00 0.00 H new ATOM 0 HB VAL A 50 2.169 6.192 -13.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.384 6.058 -10.957 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.815 4.713 -12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.933 6.083 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.792 8.267 -11.865 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.310 8.356 -12.789 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.749 8.555 -13.621 1.00 0.00 H new ATOM 774 N SER A 51 6.161 6.740 -13.740 1.00 0.00 N ATOM 775 CA SER A 51 7.589 6.497 -13.513 1.00 0.00 C ATOM 776 C SER A 51 7.880 6.668 -12.032 1.00 0.00 C ATOM 777 O SER A 51 7.090 7.285 -11.329 1.00 0.00 O ATOM 778 CB SER A 51 8.419 7.491 -14.325 1.00 0.00 C ATOM 779 OG SER A 51 8.085 7.367 -15.701 1.00 0.00 O ATOM 0 H SER A 51 5.849 7.677 -13.486 1.00 0.00 H new ATOM 0 HA SER A 51 7.849 5.486 -13.827 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.227 8.508 -13.982 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.482 7.300 -14.178 1.00 0.00 H new ATOM 0 HG SER A 51 8.614 8.004 -16.225 1.00 0.00 H new ATOM 785 N VAL A 52 9.009 6.139 -11.563 1.00 0.00 N ATOM 786 CA VAL A 52 9.366 6.260 -10.149 1.00 0.00 C ATOM 787 C VAL A 52 9.379 7.735 -9.717 1.00 0.00 C ATOM 788 O VAL A 52 8.907 8.077 -8.632 1.00 0.00 O ATOM 789 CB VAL A 52 10.748 5.605 -9.892 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.453 6.263 -8.692 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.567 4.107 -9.603 1.00 0.00 C ATOM 0 H VAL A 52 9.685 5.629 -12.132 1.00 0.00 H new ATOM 0 HA VAL A 52 8.615 5.740 -9.554 1.00 0.00 H new ATOM 0 HB VAL A 52 11.360 5.744 -10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.420 5.786 -8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.600 7.324 -8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.838 6.145 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.541 3.651 -9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.938 3.980 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.094 3.626 -10.459 1.00 0.00 H new ATOM 801 N THR A 53 9.944 8.591 -10.559 1.00 0.00 N ATOM 802 CA THR A 53 10.046 10.018 -10.249 1.00 0.00 C ATOM 803 C THR A 53 8.677 10.637 -9.955 1.00 0.00 C ATOM 804 O THR A 53 8.588 11.636 -9.259 1.00 0.00 O ATOM 805 CB THR A 53 10.705 10.749 -11.433 1.00 0.00 C ATOM 806 OG1 THR A 53 12.109 10.537 -11.392 1.00 0.00 O ATOM 807 CG2 THR A 53 10.418 12.255 -11.363 1.00 0.00 C ATOM 0 H THR A 53 10.339 8.326 -11.461 1.00 0.00 H new ATOM 0 HA THR A 53 10.655 10.127 -9.352 1.00 0.00 H new ATOM 0 HB THR A 53 10.294 10.355 -12.362 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.532 11.000 -12.145 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.892 12.755 -12.208 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.342 12.422 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.817 12.659 -10.432 1.00 0.00 H new ATOM 815 N ASP A 54 7.624 10.061 -10.494 1.00 0.00 N ATOM 816 CA ASP A 54 6.287 10.599 -10.278 1.00 0.00 C ATOM 817 C ASP A 54 5.803 10.300 -8.861 1.00 0.00 C ATOM 818 O ASP A 54 5.017 11.054 -8.286 1.00 0.00 O ATOM 819 CB ASP A 54 5.322 9.987 -11.286 1.00 0.00 C ATOM 820 CG ASP A 54 3.975 10.701 -11.229 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.702 11.335 -10.223 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.234 10.603 -12.194 1.00 0.00 O ATOM 0 H ASP A 54 7.660 9.227 -11.081 1.00 0.00 H new ATOM 0 HA ASP A 54 6.324 11.680 -10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.739 10.062 -12.290 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.188 8.926 -11.074 1.00 0.00 H new ATOM 827 N LEU A 55 6.246 9.177 -8.323 1.00 0.00 N ATOM 828 CA LEU A 55 5.828 8.751 -6.988 1.00 0.00 C ATOM 829 C LEU A 55 6.312 9.699 -5.890 1.00 0.00 C ATOM 830 O LEU A 55 5.501 10.319 -5.207 1.00 0.00 O ATOM 831 CB LEU A 55 6.357 7.341 -6.692 1.00 0.00 C ATOM 832 CG LEU A 55 5.628 6.305 -7.570 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.892 6.598 -9.048 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.146 4.902 -7.223 1.00 0.00 C ATOM 0 H LEU A 55 6.895 8.540 -8.785 1.00 0.00 H new ATOM 0 HA LEU A 55 4.738 8.760 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.429 7.300 -6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.211 7.103 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 55 4.555 6.360 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.374 5.862 -9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.528 7.596 -9.292 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.963 6.545 -9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.635 4.163 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.218 4.853 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.953 4.693 -6.171 1.00 0.00 H new ATOM 846 N LYS A 56 7.629 9.787 -5.701 1.00 0.00 N ATOM 847 CA LYS A 56 8.188 10.640 -4.644 1.00 0.00 C ATOM 848 C LYS A 56 7.685 12.079 -4.711 1.00 0.00 C ATOM 849 O LYS A 56 7.469 12.714 -3.678 1.00 0.00 O ATOM 850 CB LYS A 56 9.713 10.653 -4.727 1.00 0.00 C ATOM 851 CG LYS A 56 10.274 11.524 -3.595 1.00 0.00 C ATOM 852 CD LYS A 56 11.746 11.174 -3.335 1.00 0.00 C ATOM 853 CE LYS A 56 12.520 11.144 -4.654 1.00 0.00 C ATOM 854 NZ LYS A 56 13.975 11.297 -4.380 1.00 0.00 N ATOM 0 H LYS A 56 8.323 9.287 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 56 7.855 10.211 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.102 9.638 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.033 11.042 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.185 12.578 -3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.691 11.372 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.189 11.908 -2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.816 10.205 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.334 10.205 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.176 11.945 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.501 11.277 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.144 12.204 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.298 10.518 -3.772 1.00 0.00 H new ATOM 868 N ILE A 57 7.502 12.592 -5.917 1.00 0.00 N ATOM 869 CA ILE A 57 7.028 13.960 -6.082 1.00 0.00 C ATOM 870 C ILE A 57 5.527 14.015 -5.840 1.00 0.00 C ATOM 871 O ILE A 57 4.968 15.078 -5.577 1.00 0.00 O ATOM 872 CB ILE A 57 7.383 14.474 -7.484 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.519 13.765 -8.535 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.863 14.175 -7.741 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.941 14.180 -9.951 1.00 0.00 C ATOM 0 H ILE A 57 7.672 12.090 -6.788 1.00 0.00 H new ATOM 0 HA ILE A 57 7.517 14.606 -5.353 1.00 0.00 H new ATOM 0 HB ILE A 57 7.197 15.546 -7.549 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.614 12.685 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.469 14.011 -8.376 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.139 14.532 -8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.472 14.680 -6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.033 13.100 -7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.316 13.666 -10.682 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.822 15.257 -10.065 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.985 13.911 -10.113 1.00 0.00 H new ATOM 887 N GLY A 58 4.883 12.853 -5.925 1.00 0.00 N ATOM 888 CA GLY A 58 3.446 12.769 -5.709 1.00 0.00 C ATOM 889 C GLY A 58 3.087 13.064 -4.253 1.00 0.00 C ATOM 890 O GLY A 58 2.076 13.710 -3.975 1.00 0.00 O ATOM 0 H GLY A 58 5.333 11.963 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.936 13.476 -6.363 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.093 11.774 -5.979 1.00 0.00 H new ATOM 894 N LEU A 59 3.918 12.594 -3.322 1.00 0.00 N ATOM 895 CA LEU A 59 3.656 12.829 -1.904 1.00 0.00 C ATOM 896 C LEU A 59 3.986 14.270 -1.545 1.00 0.00 C ATOM 897 O LEU A 59 3.126 15.003 -1.055 1.00 0.00 O ATOM 898 CB LEU A 59 4.479 11.882 -1.016 1.00 0.00 C ATOM 899 CG LEU A 59 4.142 10.401 -1.302 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.625 10.167 -1.233 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.670 9.984 -2.687 1.00 0.00 C ATOM 0 H LEU A 59 4.763 12.058 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 59 2.598 12.636 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.542 12.054 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.284 12.104 0.033 1.00 0.00 H new ATOM 0 HG LEU A 59 4.627 9.792 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.409 9.118 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.262 10.425 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.126 10.791 -1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.423 8.938 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.209 10.606 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.752 10.112 -2.718 1.00 0.00 H new ATOM 913 N ALA A 60 5.220 14.689 -1.801 1.00 0.00 N ATOM 914 CA ALA A 60 5.607 16.058 -1.503 1.00 0.00 C ATOM 915 C ALA A 60 4.868 17.007 -2.432 1.00 0.00 C ATOM 916 O ALA A 60 4.487 18.110 -2.036 1.00 0.00 O ATOM 917 CB ALA A 60 7.116 16.232 -1.674 1.00 0.00 C ATOM 0 H ALA A 60 5.956 14.111 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 60 5.346 16.285 -0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.391 17.262 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.639 15.559 -0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.395 15.999 -2.702 1.00 0.00 H new ATOM 923 N GLY A 61 4.655 16.567 -3.673 1.00 0.00 N ATOM 924 CA GLY A 61 3.942 17.388 -4.652 1.00 0.00 C ATOM 925 C GLY A 61 4.905 18.215 -5.495 1.00 0.00 C ATOM 926 O GLY A 61 4.549 18.674 -6.580 1.00 0.00 O ATOM 0 H GLY A 61 4.962 15.659 -4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.347 16.746 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.248 18.051 -4.136 1.00 0.00 H new ATOM 930 N SER A 62 6.125 18.418 -4.994 1.00 0.00 N ATOM 931 CA SER A 62 7.119 19.210 -5.725 1.00 0.00 C ATOM 932 C SER A 62 8.501 18.583 -5.660 1.00 0.00 C ATOM 933 O SER A 62 9.093 18.463 -4.589 1.00 0.00 O ATOM 934 CB SER A 62 7.177 20.626 -5.153 1.00 0.00 C ATOM 935 OG SER A 62 8.032 21.422 -5.962 1.00 0.00 O ATOM 0 H SER A 62 6.447 18.051 -4.098 1.00 0.00 H new ATOM 0 HA SER A 62 6.811 19.240 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.178 21.060 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.545 20.602 -4.127 1.00 0.00 H new ATOM 0 HG SER A 62 8.071 22.332 -5.600 1.00 0.00 H new ATOM 941 N GLU A 63 9.012 18.203 -6.826 1.00 0.00 N ATOM 942 CA GLU A 63 10.331 17.603 -6.918 1.00 0.00 C ATOM 943 C GLU A 63 11.395 18.554 -6.376 1.00 0.00 C ATOM 944 O GLU A 63 12.587 18.252 -6.415 1.00 0.00 O ATOM 945 CB GLU A 63 10.638 17.248 -8.379 1.00 0.00 C ATOM 946 CG GLU A 63 11.844 16.303 -8.457 1.00 0.00 C ATOM 947 CD GLU A 63 11.903 15.649 -9.834 1.00 0.00 C ATOM 948 OE1 GLU A 63 10.919 15.041 -10.221 1.00 0.00 O ATOM 949 OE2 GLU A 63 12.931 15.768 -10.480 1.00 0.00 O ATOM 0 H GLU A 63 8.530 18.301 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 63 10.344 16.695 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.768 16.776 -8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.842 18.156 -8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.764 16.857 -8.268 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.768 15.538 -7.684 1.00 0.00 H new ATOM 956 N GLU A 64 10.959 19.694 -5.849 1.00 0.00 N ATOM 957 CA GLU A 64 11.882 20.667 -5.280 1.00 0.00 C ATOM 958 C GLU A 64 12.084 20.394 -3.791 1.00 0.00 C ATOM 959 O GLU A 64 13.211 20.423 -3.295 1.00 0.00 O ATOM 960 CB GLU A 64 11.332 22.082 -5.467 1.00 0.00 C ATOM 961 CG GLU A 64 11.309 22.433 -6.956 1.00 0.00 C ATOM 962 CD GLU A 64 10.510 23.712 -7.176 1.00 0.00 C ATOM 963 OE1 GLU A 64 10.874 24.722 -6.597 1.00 0.00 O ATOM 964 OE2 GLU A 64 9.547 23.665 -7.923 1.00 0.00 O ATOM 0 H GLU A 64 9.977 19.965 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 64 12.839 20.580 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.326 22.150 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.950 22.797 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.327 22.562 -7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.866 21.615 -7.524 1.00 0.00 H new ATOM 971 N ASP A 65 10.983 20.154 -3.071 1.00 0.00 N ATOM 972 CA ASP A 65 11.048 19.908 -1.628 1.00 0.00 C ATOM 973 C ASP A 65 11.226 18.425 -1.292 1.00 0.00 C ATOM 974 O ASP A 65 11.503 18.087 -0.141 1.00 0.00 O ATOM 975 CB ASP A 65 9.767 20.419 -0.962 1.00 0.00 C ATOM 976 CG ASP A 65 9.754 21.944 -0.955 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.983 22.524 -2.003 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.513 22.509 0.099 1.00 0.00 O ATOM 0 H ASP A 65 10.041 20.125 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 65 11.921 20.441 -1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.895 20.042 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.703 20.042 0.059 1.00 0.00 H new ATOM 983 N VAL A 66 11.068 17.539 -2.271 1.00 0.00 N ATOM 984 CA VAL A 66 11.226 16.114 -1.990 1.00 0.00 C ATOM 985 C VAL A 66 12.568 15.861 -1.311 1.00 0.00 C ATOM 986 O VAL A 66 12.721 14.907 -0.550 1.00 0.00 O ATOM 987 CB VAL A 66 11.139 15.272 -3.268 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.702 15.234 -3.774 1.00 0.00 C ATOM 989 CG2 VAL A 66 12.019 15.870 -4.357 1.00 0.00 C ATOM 0 H VAL A 66 10.838 17.771 -3.237 1.00 0.00 H new ATOM 0 HA VAL A 66 10.412 15.818 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 66 11.478 14.263 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.652 14.633 -4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.059 14.794 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.366 16.248 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.947 15.261 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.687 16.885 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.054 15.893 -4.017 1.00 0.00 H new ATOM 999 N ASP A 67 13.535 16.729 -1.588 1.00 0.00 N ATOM 1000 CA ASP A 67 14.860 16.595 -0.994 1.00 0.00 C ATOM 1001 C ASP A 67 14.757 16.569 0.528 1.00 0.00 C ATOM 1002 O ASP A 67 15.718 16.237 1.220 1.00 0.00 O ATOM 1003 CB ASP A 67 15.749 17.762 -1.429 1.00 0.00 C ATOM 1004 CG ASP A 67 15.097 19.087 -1.045 1.00 0.00 C ATOM 1005 OD1 ASP A 67 13.895 19.205 -1.223 1.00 0.00 O ATOM 1006 OD2 ASP A 67 15.808 19.960 -0.579 1.00 0.00 O ATOM 0 H ASP A 67 13.428 17.527 -2.215 1.00 0.00 H new ATOM 0 HA ASP A 67 15.302 15.659 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.728 17.679 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.910 17.725 -2.506 1.00 0.00 H new ATOM 1011 N MET A 68 13.578 16.927 1.043 1.00 0.00 N ATOM 1012 CA MET A 68 13.341 16.949 2.490 1.00 0.00 C ATOM 1013 C MET A 68 12.465 15.774 2.915 1.00 0.00 C ATOM 1014 O MET A 68 12.604 15.254 4.024 1.00 0.00 O ATOM 1015 CB MET A 68 12.649 18.257 2.877 1.00 0.00 C ATOM 1016 CG MET A 68 13.642 19.413 2.757 1.00 0.00 C ATOM 1017 SD MET A 68 14.864 19.297 4.089 1.00 0.00 S ATOM 1018 CE MET A 68 16.074 20.448 3.391 1.00 0.00 C ATOM 0 H MET A 68 12.773 17.205 0.481 1.00 0.00 H new ATOM 0 HA MET A 68 14.303 16.871 2.996 1.00 0.00 H new ATOM 0 HB2 MET A 68 11.790 18.432 2.229 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.271 18.193 3.897 1.00 0.00 H new ATOM 0 HG2 MET A 68 14.140 19.380 1.788 1.00 0.00 H new ATOM 0 HG3 MET A 68 13.116 20.366 2.813 1.00 0.00 H new ATOM 0 HE1 MET A 68 16.928 20.530 4.063 1.00 0.00 H new ATOM 0 HE2 MET A 68 16.409 20.080 2.421 1.00 0.00 H new ATOM 0 HE3 MET A 68 15.614 21.429 3.268 1.00 0.00 H new ATOM 1028 N LEU A 69 11.557 15.365 2.034 1.00 0.00 N ATOM 1029 CA LEU A 69 10.657 14.255 2.338 1.00 0.00 C ATOM 1030 C LEU A 69 11.442 13.069 2.890 1.00 0.00 C ATOM 1031 O LEU A 69 12.376 12.579 2.256 1.00 0.00 O ATOM 1032 CB LEU A 69 9.902 13.837 1.070 1.00 0.00 C ATOM 1033 CG LEU A 69 8.718 12.919 1.426 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.644 13.696 2.218 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.103 12.373 0.128 1.00 0.00 C ATOM 0 H LEU A 69 11.424 15.780 1.112 1.00 0.00 H new ATOM 0 HA LEU A 69 9.941 14.580 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.539 14.722 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.579 13.320 0.390 1.00 0.00 H new ATOM 0 HG LEU A 69 9.078 12.099 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.816 13.029 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.080 14.082 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.277 14.526 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.263 11.721 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.754 13.203 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.855 11.807 -0.421 1.00 0.00 H new ATOM 1047 N ASP A 70 11.061 12.621 4.083 1.00 0.00 N ATOM 1048 CA ASP A 70 11.742 11.501 4.719 1.00 0.00 C ATOM 1049 C ASP A 70 11.903 10.336 3.747 1.00 0.00 C ATOM 1050 O ASP A 70 12.809 9.519 3.894 1.00 0.00 O ATOM 1051 CB ASP A 70 10.959 11.040 5.951 1.00 0.00 C ATOM 1052 CG ASP A 70 9.535 10.657 5.561 1.00 0.00 C ATOM 1053 OD1 ASP A 70 9.266 10.581 4.374 1.00 0.00 O ATOM 1054 OD2 ASP A 70 8.735 10.441 6.455 1.00 0.00 O ATOM 0 H ASP A 70 10.291 13.014 4.624 1.00 0.00 H new ATOM 0 HA ASP A 70 12.733 11.837 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.459 10.187 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.938 11.836 6.695 1.00 0.00 H new ATOM 1059 N THR A 71 11.020 10.272 2.753 1.00 0.00 N ATOM 1060 CA THR A 71 11.069 9.207 1.754 1.00 0.00 C ATOM 1061 C THR A 71 12.448 9.157 1.089 1.00 0.00 C ATOM 1062 O THR A 71 12.783 10.063 0.327 1.00 0.00 O ATOM 1063 CB THR A 71 10.012 9.464 0.676 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.788 9.835 1.294 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.803 8.199 -0.158 1.00 0.00 C ATOM 0 H THR A 71 10.264 10.943 2.618 1.00 0.00 H new ATOM 0 HA THR A 71 10.875 8.258 2.253 1.00 0.00 H new ATOM 0 HB THR A 71 10.350 10.269 0.024 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.049 9.693 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.050 8.388 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.742 7.918 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.468 7.388 0.489 1.00 0.00 H new ATOM 1073 N PRO A 72 13.258 8.141 1.331 1.00 0.00 N ATOM 1074 CA PRO A 72 14.599 8.052 0.681 1.00 0.00 C ATOM 1075 C PRO A 72 14.471 8.083 -0.845 1.00 0.00 C ATOM 1076 O PRO A 72 13.563 8.706 -1.393 1.00 0.00 O ATOM 1077 CB PRO A 72 15.173 6.701 1.159 1.00 0.00 C ATOM 1078 CG PRO A 72 14.379 6.325 2.374 1.00 0.00 C ATOM 1079 CD PRO A 72 13.007 6.986 2.222 1.00 0.00 C ATOM 0 HA PRO A 72 15.242 8.891 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.082 5.941 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.233 6.789 1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.281 5.242 2.453 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.875 6.667 3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.280 6.299 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.610 7.305 3.185 1.00 0.00 H new ATOM 1087 N MET A 73 15.369 7.373 -1.517 1.00 0.00 N ATOM 1088 CA MET A 73 15.348 7.281 -2.976 1.00 0.00 C ATOM 1089 C MET A 73 15.283 5.815 -3.370 1.00 0.00 C ATOM 1090 O MET A 73 15.255 5.474 -4.550 1.00 0.00 O ATOM 1091 CB MET A 73 16.606 7.929 -3.575 1.00 0.00 C ATOM 1092 CG MET A 73 16.354 8.292 -5.043 1.00 0.00 C ATOM 1093 SD MET A 73 17.817 9.114 -5.725 1.00 0.00 S ATOM 1094 CE MET A 73 18.965 7.722 -5.574 1.00 0.00 C ATOM 0 H MET A 73 16.125 6.850 -1.075 1.00 0.00 H new ATOM 0 HA MET A 73 14.476 7.811 -3.361 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.870 8.823 -3.010 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.450 7.244 -3.500 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.129 7.393 -5.617 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.486 8.947 -5.122 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.650 7.721 -6.422 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.533 7.818 -4.649 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.404 6.788 -5.560 1.00 0.00 H new ATOM 1104 N SER A 74 15.267 4.955 -2.350 1.00 0.00 N ATOM 1105 CA SER A 74 15.208 3.508 -2.548 1.00 0.00 C ATOM 1106 C SER A 74 13.818 2.983 -2.202 1.00 0.00 C ATOM 1107 O SER A 74 13.380 1.967 -2.744 1.00 0.00 O ATOM 1108 CB SER A 74 16.245 2.821 -1.663 1.00 0.00 C ATOM 1109 OG SER A 74 16.071 1.412 -1.745 1.00 0.00 O ATOM 0 H SER A 74 15.294 5.240 -1.371 1.00 0.00 H new ATOM 0 HA SER A 74 15.421 3.290 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.251 3.094 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.137 3.153 -0.631 1.00 0.00 H new ATOM 0 HG SER A 74 16.736 0.967 -1.179 1.00 0.00 H new ATOM 1115 N ALA A 75 13.121 3.680 -1.305 1.00 0.00 N ATOM 1116 CA ALA A 75 11.785 3.267 -0.913 1.00 0.00 C ATOM 1117 C ALA A 75 10.871 3.264 -2.130 1.00 0.00 C ATOM 1118 O ALA A 75 9.963 2.441 -2.237 1.00 0.00 O ATOM 1119 CB ALA A 75 11.239 4.214 0.156 1.00 0.00 C ATOM 0 H ALA A 75 13.460 4.524 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 75 11.827 2.259 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.237 3.898 0.445 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.892 4.193 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.199 5.228 -0.242 1.00 0.00 H new ATOM 1125 N LEU A 76 11.124 4.183 -3.056 1.00 0.00 N ATOM 1126 CA LEU A 76 10.320 4.250 -4.265 1.00 0.00 C ATOM 1127 C LEU A 76 10.532 2.979 -5.071 1.00 0.00 C ATOM 1128 O LEU A 76 9.579 2.321 -5.488 1.00 0.00 O ATOM 1129 CB LEU A 76 10.715 5.438 -5.142 1.00 0.00 C ATOM 1130 CG LEU A 76 10.703 6.758 -4.360 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.388 6.900 -3.592 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.894 6.848 -3.386 1.00 0.00 C ATOM 0 H LEU A 76 11.867 4.879 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 76 9.278 4.365 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.710 5.270 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.029 5.510 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 76 10.794 7.573 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.389 7.840 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.554 6.892 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.283 6.069 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.854 7.796 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.844 6.025 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.827 6.787 -3.946 1.00 0.00 H new ATOM 1144 N LYS A 77 11.801 2.640 -5.279 1.00 0.00 N ATOM 1145 CA LYS A 77 12.146 1.442 -6.028 1.00 0.00 C ATOM 1146 C LYS A 77 11.496 0.230 -5.373 1.00 0.00 C ATOM 1147 O LYS A 77 11.106 -0.724 -6.047 1.00 0.00 O ATOM 1148 CB LYS A 77 13.667 1.247 -6.064 1.00 0.00 C ATOM 1149 CG LYS A 77 14.305 2.250 -7.036 1.00 0.00 C ATOM 1150 CD LYS A 77 14.071 3.686 -6.538 1.00 0.00 C ATOM 1151 CE LYS A 77 15.160 4.624 -7.075 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.400 4.337 -8.517 1.00 0.00 N ATOM 0 H LYS A 77 12.601 3.176 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 77 11.783 1.552 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.082 1.382 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.904 0.229 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.374 2.056 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.877 2.127 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.090 4.034 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.072 3.704 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.855 5.663 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.082 4.490 -6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.847 5.162 -8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.027 3.512 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.494 4.137 -8.987 1.00 0.00 H new ATOM 1166 N ASP A 78 11.389 0.278 -4.047 1.00 0.00 N ATOM 1167 CA ASP A 78 10.793 -0.811 -3.294 1.00 0.00 C ATOM 1168 C ASP A 78 9.292 -0.875 -3.550 1.00 0.00 C ATOM 1169 O ASP A 78 8.772 -1.895 -4.006 1.00 0.00 O ATOM 1170 CB ASP A 78 11.064 -0.608 -1.798 1.00 0.00 C ATOM 1171 CG ASP A 78 12.522 -0.930 -1.483 1.00 0.00 C ATOM 1172 OD1 ASP A 78 12.900 -2.080 -1.631 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.239 -0.020 -1.100 1.00 0.00 O ATOM 0 H ASP A 78 11.709 1.061 -3.477 1.00 0.00 H new ATOM 0 HA ASP A 78 11.238 -1.752 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.841 0.421 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.406 -1.249 -1.211 1.00 0.00 H new ATOM 1178 N ALA A 79 8.597 0.217 -3.249 1.00 0.00 N ATOM 1179 CA ALA A 79 7.153 0.272 -3.441 1.00 0.00 C ATOM 1180 C ALA A 79 6.777 0.082 -4.913 1.00 0.00 C ATOM 1181 O ALA A 79 6.095 -0.883 -5.256 1.00 0.00 O ATOM 1182 CB ALA A 79 6.622 1.617 -2.937 1.00 0.00 C ATOM 0 H ALA A 79 9.008 1.072 -2.873 1.00 0.00 H new ATOM 0 HA ALA A 79 6.701 -0.541 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.542 1.659 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.852 1.725 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.094 2.426 -3.494 1.00 0.00 H new ATOM 1188 N VAL A 80 7.204 1.017 -5.769 1.00 0.00 N ATOM 1189 CA VAL A 80 6.895 0.968 -7.205 1.00 0.00 C ATOM 1190 C VAL A 80 6.852 -0.468 -7.731 1.00 0.00 C ATOM 1191 O VAL A 80 6.192 -0.756 -8.728 1.00 0.00 O ATOM 1192 CB VAL A 80 7.926 1.785 -7.986 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.206 0.974 -8.187 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.356 2.170 -9.357 1.00 0.00 C ATOM 0 H VAL A 80 7.767 1.821 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 80 5.904 1.398 -7.347 1.00 0.00 H new ATOM 0 HB VAL A 80 8.156 2.685 -7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.930 1.569 -8.744 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.625 0.709 -7.216 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.977 0.065 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.095 2.752 -9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.114 1.267 -9.917 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.453 2.766 -9.221 1.00 0.00 H new ATOM 1204 N ARG A 81 7.557 -1.360 -7.052 1.00 0.00 N ATOM 1205 CA ARG A 81 7.593 -2.760 -7.456 1.00 0.00 C ATOM 1206 C ARG A 81 6.308 -3.455 -7.035 1.00 0.00 C ATOM 1207 O ARG A 81 5.566 -3.991 -7.858 1.00 0.00 O ATOM 1208 CB ARG A 81 8.780 -3.473 -6.805 1.00 0.00 C ATOM 1209 CG ARG A 81 8.943 -4.868 -7.425 1.00 0.00 C ATOM 1210 CD ARG A 81 9.953 -5.691 -6.617 1.00 0.00 C ATOM 1211 NE ARG A 81 11.316 -5.287 -6.950 1.00 0.00 N ATOM 1212 CZ ARG A 81 11.922 -4.289 -6.309 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.299 -3.645 -5.362 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.142 -3.957 -6.630 1.00 0.00 N ATOM 0 H ARG A 81 8.110 -1.143 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 81 7.697 -2.801 -8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.690 -2.891 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.622 -3.558 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.981 -5.379 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.279 -4.778 -8.458 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.775 -5.552 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.819 -6.752 -6.827 1.00 0.00 H new ATOM 0 HE ARG A 81 11.815 -5.780 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.345 -3.905 -5.110 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.765 -2.881 -4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.630 -4.461 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.608 -3.193 -6.141 1.00 0.00 H new ATOM 1228 N ILE A 82 6.075 -3.459 -5.734 1.00 0.00 N ATOM 1229 CA ILE A 82 4.906 -4.104 -5.168 1.00 0.00 C ATOM 1230 C ILE A 82 3.624 -3.769 -5.946 1.00 0.00 C ATOM 1231 O ILE A 82 2.801 -4.656 -6.173 1.00 0.00 O ATOM 1232 CB ILE A 82 4.780 -3.706 -3.687 1.00 0.00 C ATOM 1233 CG1 ILE A 82 5.802 -4.500 -2.860 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.372 -4.008 -3.173 1.00 0.00 C ATOM 1235 CD1 ILE A 82 5.956 -3.861 -1.481 1.00 0.00 C ATOM 0 H ILE A 82 6.686 -3.019 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 82 5.035 -5.184 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 82 4.971 -2.637 -3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.476 -5.535 -2.758 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.764 -4.518 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.298 -3.721 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.643 -3.444 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.169 -5.074 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.682 -4.427 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.302 -2.833 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.994 -3.866 -0.968 1.00 0.00 H new ATOM 1247 N LEU A 83 3.438 -2.511 -6.365 1.00 0.00 N ATOM 1248 CA LEU A 83 2.220 -2.176 -7.112 1.00 0.00 C ATOM 1249 C LEU A 83 2.349 -2.669 -8.545 1.00 0.00 C ATOM 1250 O LEU A 83 1.371 -3.107 -9.151 1.00 0.00 O ATOM 1251 CB LEU A 83 1.891 -0.653 -7.128 1.00 0.00 C ATOM 1252 CG LEU A 83 2.467 0.111 -5.912 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.456 -0.730 -4.624 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.870 0.590 -6.228 1.00 0.00 C ATOM 0 H LEU A 83 4.085 -1.738 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 83 1.399 -2.672 -6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.285 -0.213 -8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.809 -0.522 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 83 1.820 0.969 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.871 -0.144 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.432 -1.015 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.058 -1.627 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.273 1.128 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.506 -0.267 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.842 1.254 -7.092 1.00 0.00 H new ATOM 1266 N TRP A 84 3.560 -2.599 -9.085 1.00 0.00 N ATOM 1267 CA TRP A 84 3.788 -3.052 -10.456 1.00 0.00 C ATOM 1268 C TRP A 84 3.174 -4.442 -10.652 1.00 0.00 C ATOM 1269 O TRP A 84 2.924 -4.869 -11.780 1.00 0.00 O ATOM 1270 CB TRP A 84 5.312 -3.092 -10.741 1.00 0.00 C ATOM 1271 CG TRP A 84 5.688 -2.158 -11.850 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.330 -2.522 -12.983 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.476 -0.720 -11.942 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.526 -1.400 -13.764 1.00 0.00 N ATOM 1275 CE2 TRP A 84 6.016 -0.264 -13.167 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.873 0.223 -11.092 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.963 1.079 -13.535 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.816 1.576 -11.459 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.361 2.002 -12.678 1.00 0.00 C ATOM 0 H TRP A 84 4.387 -2.240 -8.607 1.00 0.00 H new ATOM 0 HA TRP A 84 3.315 -2.359 -11.152 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.859 -2.824 -9.837 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.608 -4.108 -11.004 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.639 -3.526 -13.236 1.00 0.00 H new ATOM 0 HE1 TRP A 84 6.991 -1.409 -14.672 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.451 -0.096 -10.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.384 1.403 -14.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.350 2.293 -10.799 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.315 3.045 -12.954 1.00 0.00 H new ATOM 1290 N GLY A 85 2.945 -5.142 -9.543 1.00 0.00 N ATOM 1291 CA GLY A 85 2.375 -6.486 -9.597 1.00 0.00 C ATOM 1292 C GLY A 85 3.476 -7.525 -9.778 1.00 0.00 C ATOM 1293 O GLY A 85 3.216 -8.658 -10.182 1.00 0.00 O ATOM 0 H GLY A 85 3.144 -4.803 -8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.821 -6.690 -8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.664 -6.553 -10.421 1.00 0.00 H new ATOM 1297 N GLU A 86 4.713 -7.123 -9.475 1.00 0.00 N ATOM 1298 CA GLU A 86 5.870 -8.013 -9.606 1.00 0.00 C ATOM 1299 C GLU A 86 6.439 -8.351 -8.228 1.00 0.00 C ATOM 1300 O GLU A 86 7.440 -9.059 -8.118 1.00 0.00 O ATOM 1301 CB GLU A 86 6.946 -7.326 -10.463 1.00 0.00 C ATOM 1302 CG GLU A 86 7.868 -8.375 -11.093 1.00 0.00 C ATOM 1303 CD GLU A 86 7.134 -9.105 -12.212 1.00 0.00 C ATOM 1304 OE1 GLU A 86 6.644 -8.438 -13.107 1.00 0.00 O ATOM 1305 OE2 GLU A 86 7.073 -10.323 -12.157 1.00 0.00 O ATOM 0 H GLU A 86 4.939 -6.187 -9.137 1.00 0.00 H new ATOM 0 HA GLU A 86 5.556 -8.939 -10.088 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.474 -6.730 -11.244 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.529 -6.641 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.764 -7.895 -11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.194 -9.087 -10.335 1.00 0.00 H new ATOM 1312 N ALA A 87 5.792 -7.827 -7.185 1.00 0.00 N ATOM 1313 CA ALA A 87 6.220 -8.056 -5.800 1.00 0.00 C ATOM 1314 C ALA A 87 6.909 -9.417 -5.629 1.00 0.00 C ATOM 1315 O ALA A 87 7.890 -9.537 -4.896 1.00 0.00 O ATOM 1316 CB ALA A 87 4.996 -7.970 -4.871 1.00 0.00 C ATOM 0 H ALA A 87 4.964 -7.237 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 87 6.947 -7.287 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.309 -8.139 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.544 -6.982 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.267 -8.728 -5.158 1.00 0.00 H new ATOM 1322 N GLU A 88 6.385 -10.434 -6.306 1.00 0.00 N ATOM 1323 CA GLU A 88 6.957 -11.774 -6.214 1.00 0.00 C ATOM 1324 C GLU A 88 8.244 -11.875 -7.028 1.00 0.00 C ATOM 1325 O GLU A 88 8.345 -12.687 -7.947 1.00 0.00 O ATOM 1326 CB GLU A 88 5.948 -12.808 -6.720 1.00 0.00 C ATOM 1327 CG GLU A 88 5.353 -12.336 -8.049 1.00 0.00 C ATOM 1328 CD GLU A 88 4.655 -13.496 -8.750 1.00 0.00 C ATOM 1329 OE1 GLU A 88 5.272 -14.541 -8.880 1.00 0.00 O ATOM 1330 OE2 GLU A 88 3.515 -13.323 -9.147 1.00 0.00 O ATOM 0 H GLU A 88 5.573 -10.358 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 88 7.191 -11.973 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.436 -13.774 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.156 -12.948 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.644 -11.527 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.140 -11.935 -8.687 1.00 0.00 H new