USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 610 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 25 SER OG : rot -91:sc= 1.19 USER MOD Set 1.2: A 47 GLN : amide:sc= 0.993 K(o=2.2,f=-1.8) USER MOD Single : A 13 GLN : amide:sc= -0.348 K(o=-0.35,f=-2!) USER MOD Single : A 16 THR OG1 : rot 81:sc= 0.842 USER MOD Single : A 19 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.3!) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.105 K(o=-0.1,f=-2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0921 USER MOD Single : A 31 SER OG : rot 180:sc= 0.136 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 40 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.19) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00545 USER MOD Single : A 45 THR OG1 : rot -140:sc= -2.18 USER MOD Single : A 49 CYS SG : rot 136:sc= -0.148 USER MOD Single : A 56 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.41) USER MOD Single : A 62 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -5.24 K(o=-5.2,f=-20!) USER MOD Single : A 71 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0.17 K(o=0.17,f=-0.73) USER MOD Single : A 82 GLN : amide:sc= -1.23! X(o=-1.2!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -9.056 0.840 -5.859 1.00 0.00 N ATOM 192 CA GLY A 12 -10.350 0.553 -5.269 1.00 0.00 C ATOM 193 C GLY A 12 -10.238 -0.221 -3.970 1.00 0.00 C ATOM 194 O GLY A 12 -10.926 0.085 -2.997 1.00 0.00 O ATOM 0 HA2 GLY A 12 -10.878 1.489 -5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.950 -0.018 -5.978 1.00 0.00 H new ATOM 198 N GLN A 13 -9.370 -1.227 -3.956 1.00 0.00 N ATOM 199 CA GLN A 13 -9.171 -2.048 -2.767 1.00 0.00 C ATOM 200 C GLN A 13 -8.483 -1.252 -1.662 1.00 0.00 C ATOM 201 O GLN A 13 -8.926 -1.256 -0.514 1.00 0.00 O ATOM 202 CB GLN A 13 -8.345 -3.289 -3.113 1.00 0.00 C ATOM 203 CG GLN A 13 -8.890 -4.571 -2.507 1.00 0.00 C ATOM 204 CD GLN A 13 -8.197 -4.945 -1.211 1.00 0.00 C ATOM 205 OE1 GLN A 13 -7.036 -4.597 -0.992 1.00 0.00 O ATOM 206 NE2 GLN A 13 -8.907 -5.657 -0.344 1.00 0.00 N ATOM 0 H GLN A 13 -8.793 -1.493 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.150 -2.362 -2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.305 -3.398 -4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.321 -3.141 -2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.958 -4.456 -2.323 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.776 -5.384 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.866 -5.923 -0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.493 -5.938 0.545 1.00 0.00 H new ATOM 215 N LEU A 14 -7.397 -0.572 -2.017 1.00 0.00 N ATOM 216 CA LEU A 14 -6.646 0.227 -1.055 1.00 0.00 C ATOM 217 C LEU A 14 -7.537 1.280 -0.403 1.00 0.00 C ATOM 218 O LEU A 14 -7.434 1.538 0.797 1.00 0.00 O ATOM 219 CB LEU A 14 -5.457 0.904 -1.741 1.00 0.00 C ATOM 220 CG LEU A 14 -4.366 1.413 -0.796 1.00 0.00 C ATOM 221 CD1 LEU A 14 -4.873 2.594 0.017 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.892 0.296 0.121 1.00 0.00 C ATOM 0 H LEU A 14 -7.018 -0.558 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.278 -0.442 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.010 0.197 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.827 1.744 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.519 1.748 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.084 2.943 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.163 3.401 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.736 2.286 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.116 0.676 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.731 -0.069 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.488 -0.520 -0.478 1.00 0.00 H new ATOM 234 N ALA A 15 -8.409 1.887 -1.201 1.00 0.00 N ATOM 235 CA ALA A 15 -9.317 2.912 -0.701 1.00 0.00 C ATOM 236 C ALA A 15 -10.290 2.335 0.322 1.00 0.00 C ATOM 237 O ALA A 15 -10.427 2.859 1.428 1.00 0.00 O ATOM 238 CB ALA A 15 -10.076 3.550 -1.856 1.00 0.00 C ATOM 0 H ALA A 15 -8.506 1.687 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.723 3.678 -0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.751 4.314 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.369 4.007 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.653 2.787 -2.378 1.00 0.00 H new ATOM 244 N THR A 16 -10.965 1.254 -0.055 1.00 0.00 N ATOM 245 CA THR A 16 -11.928 0.607 0.829 1.00 0.00 C ATOM 246 C THR A 16 -11.236 0.022 2.057 1.00 0.00 C ATOM 247 O THR A 16 -11.803 -0.001 3.149 1.00 0.00 O ATOM 248 CB THR A 16 -12.677 -0.496 0.079 1.00 0.00 C ATOM 249 OG1 THR A 16 -13.133 -0.026 -1.177 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.877 -1.025 0.834 1.00 0.00 C ATOM 0 H THR A 16 -10.863 0.808 -0.966 1.00 0.00 H new ATOM 0 HA THR A 16 -12.641 1.362 1.162 1.00 0.00 H new ATOM 0 HB THR A 16 -11.957 -1.306 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.399 -0.060 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.362 -1.804 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.553 -1.440 1.788 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.582 -0.213 1.012 1.00 0.00 H new ATOM 258 N LEU A 17 -10.009 -0.452 1.870 1.00 0.00 N ATOM 259 CA LEU A 17 -9.241 -1.039 2.962 1.00 0.00 C ATOM 260 C LEU A 17 -8.739 0.038 3.919 1.00 0.00 C ATOM 261 O LEU A 17 -8.801 -0.125 5.137 1.00 0.00 O ATOM 262 CB LEU A 17 -8.059 -1.838 2.410 1.00 0.00 C ATOM 263 CG LEU A 17 -7.635 -3.038 3.258 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.916 -4.069 2.401 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.750 -2.590 4.411 1.00 0.00 C ATOM 0 H LEU A 17 -9.525 -0.441 0.972 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.899 -1.710 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.314 -2.191 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.206 -1.168 2.304 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.531 -3.501 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.622 -4.916 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.582 -4.413 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.028 -3.618 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.458 -3.457 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.858 -2.103 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.299 -1.889 5.040 1.00 0.00 H new ATOM 277 N ARG A 18 -8.241 1.135 3.360 1.00 0.00 N ATOM 278 CA ARG A 18 -7.726 2.237 4.167 1.00 0.00 C ATOM 279 C ARG A 18 -8.841 2.887 4.980 1.00 0.00 C ATOM 280 O ARG A 18 -8.603 3.411 6.069 1.00 0.00 O ATOM 281 CB ARG A 18 -7.057 3.281 3.272 1.00 0.00 C ATOM 282 CG ARG A 18 -6.120 4.215 4.022 1.00 0.00 C ATOM 283 CD ARG A 18 -6.265 5.652 3.547 1.00 0.00 C ATOM 284 NE ARG A 18 -6.148 6.606 4.647 1.00 0.00 N ATOM 285 CZ ARG A 18 -5.905 7.904 4.479 1.00 0.00 C ATOM 286 NH1 ARG A 18 -5.752 8.405 3.260 1.00 0.00 N ATOM 287 NH2 ARG A 18 -5.816 8.704 5.533 1.00 0.00 N ATOM 0 H ARG A 18 -8.183 1.286 2.353 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.987 1.832 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.497 2.771 2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.828 3.873 2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.330 4.161 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.090 3.887 3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.501 5.865 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.232 5.777 3.060 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.259 6.257 5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.820 7.795 2.446 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.566 9.400 3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.934 8.325 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.630 9.699 5.404 1.00 0.00 H new ATOM 301 N GLN A 19 -10.057 2.855 4.445 1.00 0.00 N ATOM 302 CA GLN A 19 -11.206 3.446 5.121 1.00 0.00 C ATOM 303 C GLN A 19 -11.737 2.524 6.215 1.00 0.00 C ATOM 304 O GLN A 19 -12.178 2.985 7.268 1.00 0.00 O ATOM 305 CB GLN A 19 -12.316 3.748 4.112 1.00 0.00 C ATOM 306 CG GLN A 19 -13.084 5.024 4.417 1.00 0.00 C ATOM 307 CD GLN A 19 -14.560 4.776 4.656 1.00 0.00 C ATOM 308 OE1 GLN A 19 -15.099 3.739 4.267 1.00 0.00 O ATOM 309 NE2 GLN A 19 -15.224 5.729 5.299 1.00 0.00 N ATOM 0 H GLN A 19 -10.272 2.426 3.545 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.879 4.376 5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.879 3.826 3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.013 2.910 4.090 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.653 5.501 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.967 5.721 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.738 6.572 5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.220 5.618 5.488 1.00 0.00 H new ATOM 318 N ARG A 20 -11.696 1.220 5.959 1.00 0.00 N ATOM 319 CA ARG A 20 -12.178 0.236 6.922 1.00 0.00 C ATOM 320 C ARG A 20 -11.128 -0.049 7.992 1.00 0.00 C ATOM 321 O ARG A 20 -11.462 -0.340 9.140 1.00 0.00 O ATOM 322 CB ARG A 20 -12.561 -1.061 6.207 1.00 0.00 C ATOM 323 CG ARG A 20 -14.048 -1.179 5.914 1.00 0.00 C ATOM 324 CD ARG A 20 -14.488 -0.178 4.859 1.00 0.00 C ATOM 325 NE ARG A 20 -15.904 0.161 4.983 1.00 0.00 N ATOM 326 CZ ARG A 20 -16.621 0.716 4.008 1.00 0.00 C ATOM 327 NH1 ARG A 20 -16.060 0.994 2.838 1.00 0.00 N ATOM 328 NH2 ARG A 20 -17.903 0.992 4.203 1.00 0.00 N ATOM 0 H ARG A 20 -11.334 0.820 5.093 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.060 0.649 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.008 -1.126 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.252 -1.908 6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.274 -2.190 5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.615 -1.016 6.831 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.889 0.728 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.299 -0.590 3.868 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.370 -0.039 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.074 0.782 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.614 1.419 2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.340 0.779 5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.452 1.417 3.456 1.00 0.00 H new ATOM 342 N CYS A 21 -9.859 0.031 7.607 1.00 0.00 N ATOM 343 CA CYS A 21 -8.761 -0.225 8.533 1.00 0.00 C ATOM 344 C CYS A 21 -8.137 1.076 9.034 1.00 0.00 C ATOM 345 O CYS A 21 -7.052 1.067 9.614 1.00 0.00 O ATOM 346 CB CYS A 21 -7.692 -1.089 7.863 1.00 0.00 C ATOM 347 SG CYS A 21 -8.131 -2.838 7.736 1.00 0.00 S ATOM 0 H CYS A 21 -9.565 0.271 6.660 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.170 -0.758 9.391 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.500 -0.700 6.863 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.762 -0.998 8.425 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.166 -3.486 7.154 1.00 0.00 H new ATOM 353 N ALA A 22 -8.822 2.195 8.810 1.00 0.00 N ATOM 354 CA ALA A 22 -8.320 3.493 9.246 1.00 0.00 C ATOM 355 C ALA A 22 -8.026 3.494 10.745 1.00 0.00 C ATOM 356 O ALA A 22 -6.890 3.725 11.162 1.00 0.00 O ATOM 357 CB ALA A 22 -9.316 4.589 8.896 1.00 0.00 C ATOM 0 H ALA A 22 -9.722 2.228 8.331 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.385 3.689 8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.928 5.552 9.227 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.469 4.611 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.266 4.390 9.393 1.00 0.00 H new ATOM 363 N PRO A 23 -9.048 3.236 11.579 1.00 0.00 N ATOM 364 CA PRO A 23 -8.894 3.208 13.034 1.00 0.00 C ATOM 365 C PRO A 23 -8.330 1.881 13.535 1.00 0.00 C ATOM 366 O PRO A 23 -8.996 1.151 14.270 1.00 0.00 O ATOM 367 CB PRO A 23 -10.325 3.402 13.525 1.00 0.00 C ATOM 368 CG PRO A 23 -11.165 2.754 12.478 1.00 0.00 C ATOM 369 CD PRO A 23 -10.439 2.951 11.170 1.00 0.00 C ATOM 0 HA PRO A 23 -8.192 3.961 13.392 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -10.477 2.939 14.500 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.569 4.459 13.633 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.302 1.694 12.691 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.158 3.203 12.443 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.497 2.062 10.542 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.864 3.775 10.596 1.00 0.00 H new ATOM 377 N VAL A 24 -7.101 1.573 13.135 1.00 0.00 N ATOM 378 CA VAL A 24 -6.454 0.332 13.546 1.00 0.00 C ATOM 379 C VAL A 24 -5.147 0.601 14.289 1.00 0.00 C ATOM 380 O VAL A 24 -4.294 -0.279 14.398 1.00 0.00 O ATOM 381 CB VAL A 24 -6.166 -0.578 12.336 1.00 0.00 C ATOM 382 CG1 VAL A 24 -7.460 -0.956 11.633 1.00 0.00 C ATOM 383 CG2 VAL A 24 -5.206 0.102 11.370 1.00 0.00 C ATOM 0 H VAL A 24 -6.534 2.164 12.528 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.148 -0.173 14.218 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.694 -1.492 12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.237 -1.599 10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.110 -1.487 12.328 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.962 -0.053 11.285 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.015 -0.557 10.523 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.647 1.033 11.014 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.267 0.317 11.881 1.00 0.00 H new ATOM 393 N SER A 25 -4.995 1.820 14.800 1.00 0.00 N ATOM 394 CA SER A 25 -3.791 2.196 15.531 1.00 0.00 C ATOM 395 C SER A 25 -3.645 1.372 16.808 1.00 0.00 C ATOM 396 O SER A 25 -2.535 1.160 17.297 1.00 0.00 O ATOM 397 CB SER A 25 -3.822 3.687 15.874 1.00 0.00 C ATOM 398 OG SER A 25 -3.356 4.470 14.789 1.00 0.00 O ATOM 0 H SER A 25 -5.690 2.562 14.721 1.00 0.00 H new ATOM 0 HA SER A 25 -2.932 1.994 14.891 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.839 3.983 16.130 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.205 3.874 16.753 1.00 0.00 H new ATOM 0 HG SER A 25 -2.390 4.611 14.878 1.00 0.00 H new ATOM 404 N GLN A 26 -4.771 0.912 17.344 1.00 0.00 N ATOM 405 CA GLN A 26 -4.766 0.113 18.564 1.00 0.00 C ATOM 406 C GLN A 26 -4.386 -1.335 18.270 1.00 0.00 C ATOM 407 O GLN A 26 -3.526 -1.909 18.938 1.00 0.00 O ATOM 408 CB GLN A 26 -6.139 0.164 19.237 1.00 0.00 C ATOM 409 CG GLN A 26 -6.093 -0.090 20.735 1.00 0.00 C ATOM 410 CD GLN A 26 -7.313 0.451 21.455 1.00 0.00 C ATOM 411 OE1 GLN A 26 -8.040 1.290 20.924 1.00 0.00 O ATOM 412 NE2 GLN A 26 -7.542 -0.029 22.672 1.00 0.00 N ATOM 0 H GLN A 26 -5.698 1.079 16.953 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.020 0.534 19.238 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.587 1.141 19.056 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.790 -0.576 18.771 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.014 -1.162 20.916 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.196 0.370 21.151 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.912 -0.724 23.073 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.348 0.297 23.206 1.00 0.00 H new ATOM 421 N PHE A 27 -5.033 -1.921 17.267 1.00 0.00 N ATOM 422 CA PHE A 27 -4.764 -3.303 16.887 1.00 0.00 C ATOM 423 C PHE A 27 -3.795 -3.370 15.710 1.00 0.00 C ATOM 424 O PHE A 27 -3.800 -4.334 14.945 1.00 0.00 O ATOM 425 CB PHE A 27 -6.068 -4.018 16.529 1.00 0.00 C ATOM 426 CG PHE A 27 -6.970 -4.246 17.708 1.00 0.00 C ATOM 427 CD1 PHE A 27 -7.664 -3.192 18.281 1.00 0.00 C ATOM 428 CD2 PHE A 27 -7.126 -5.515 18.242 1.00 0.00 C ATOM 429 CE1 PHE A 27 -8.495 -3.399 19.365 1.00 0.00 C ATOM 430 CE2 PHE A 27 -7.956 -5.729 19.326 1.00 0.00 C ATOM 431 CZ PHE A 27 -8.642 -4.669 19.888 1.00 0.00 C ATOM 0 H PHE A 27 -5.747 -1.460 16.703 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.304 -3.802 17.740 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.602 -3.431 15.782 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.832 -4.979 16.071 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.554 -2.197 17.875 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.593 -6.347 17.806 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.029 -2.569 19.803 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.068 -6.723 19.733 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.292 -4.833 20.735 1.00 0.00 H new ATOM 441 N ALA A 28 -2.964 -2.341 15.569 1.00 0.00 N ATOM 442 CA ALA A 28 -1.993 -2.290 14.483 1.00 0.00 C ATOM 443 C ALA A 28 -0.739 -3.086 14.829 1.00 0.00 C ATOM 444 O ALA A 28 -0.083 -2.822 15.837 1.00 0.00 O ATOM 445 CB ALA A 28 -1.632 -0.846 14.168 1.00 0.00 C ATOM 0 H ALA A 28 -2.944 -1.534 16.192 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.447 -2.742 13.601 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.906 -0.821 13.355 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.529 -0.303 13.870 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.202 -0.377 15.053 1.00 0.00 H new ATOM 451 N THR A 29 -0.412 -4.060 13.986 1.00 0.00 N ATOM 452 CA THR A 29 0.765 -4.894 14.202 1.00 0.00 C ATOM 453 C THR A 29 1.352 -5.363 12.875 1.00 0.00 C ATOM 454 O THR A 29 0.653 -5.952 12.050 1.00 0.00 O ATOM 455 CB THR A 29 0.407 -6.101 15.071 1.00 0.00 C ATOM 456 OG1 THR A 29 -0.292 -5.693 16.233 1.00 0.00 O ATOM 457 CG2 THR A 29 1.615 -6.895 15.517 1.00 0.00 C ATOM 0 H THR A 29 -0.945 -4.291 13.148 1.00 0.00 H new ATOM 0 HA THR A 29 1.515 -4.294 14.717 1.00 0.00 H new ATOM 0 HB THR A 29 -0.214 -6.737 14.440 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.513 -6.479 16.775 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.291 -7.737 16.129 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.149 -7.267 14.643 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.276 -6.255 16.101 1.00 0.00 H new ATOM 465 N LEU A 30 2.639 -5.099 12.675 1.00 0.00 N ATOM 466 CA LEU A 30 3.319 -5.497 11.448 1.00 0.00 C ATOM 467 C LEU A 30 4.253 -6.676 11.703 1.00 0.00 C ATOM 468 O LEU A 30 4.882 -6.766 12.758 1.00 0.00 O ATOM 469 CB LEU A 30 4.107 -4.319 10.871 1.00 0.00 C ATOM 470 CG LEU A 30 3.391 -3.541 9.766 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.204 -2.324 9.356 1.00 0.00 C ATOM 472 CD2 LEU A 30 3.131 -4.440 8.567 1.00 0.00 C ATOM 0 H LEU A 30 3.232 -4.611 13.347 1.00 0.00 H new ATOM 0 HA LEU A 30 2.563 -5.806 10.726 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.348 -3.631 11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.053 -4.692 10.478 1.00 0.00 H new ATOM 0 HG LEU A 30 2.432 -3.196 10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.678 -1.783 8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.339 -1.670 10.217 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.178 -2.645 8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.621 -3.871 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.079 -4.814 8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.506 -5.280 8.871 1.00 0.00 H new ATOM 484 N SER A 31 4.339 -7.577 10.730 1.00 0.00 N ATOM 485 CA SER A 31 5.197 -8.750 10.850 1.00 0.00 C ATOM 486 C SER A 31 6.668 -8.359 10.762 1.00 0.00 C ATOM 487 O SER A 31 7.010 -7.308 10.221 1.00 0.00 O ATOM 488 CB SER A 31 4.862 -9.766 9.756 1.00 0.00 C ATOM 489 OG SER A 31 5.821 -10.809 9.717 1.00 0.00 O ATOM 0 H SER A 31 3.826 -7.518 9.851 1.00 0.00 H new ATOM 0 HA SER A 31 5.017 -9.203 11.825 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.872 -10.185 9.935 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.826 -9.265 8.789 1.00 0.00 H new ATOM 0 HG SER A 31 5.583 -11.446 9.011 1.00 0.00 H new ATOM 495 N ALA A 32 7.535 -9.211 11.300 1.00 0.00 N ATOM 496 CA ALA A 32 8.970 -8.954 11.283 1.00 0.00 C ATOM 497 C ALA A 32 9.606 -9.400 9.966 1.00 0.00 C ATOM 498 O ALA A 32 10.803 -9.210 9.753 1.00 0.00 O ATOM 499 CB ALA A 32 9.642 -9.653 12.455 1.00 0.00 C ATOM 0 H ALA A 32 7.268 -10.085 11.753 1.00 0.00 H new ATOM 0 HA ALA A 32 9.117 -7.878 11.375 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.713 -9.454 12.432 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.224 -9.280 13.390 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.471 -10.727 12.385 1.00 0.00 H new ATOM 505 N ARG A 33 8.803 -9.992 9.085 1.00 0.00 N ATOM 506 CA ARG A 33 9.299 -10.458 7.795 1.00 0.00 C ATOM 507 C ARG A 33 9.048 -9.422 6.701 1.00 0.00 C ATOM 508 O ARG A 33 9.023 -9.754 5.516 1.00 0.00 O ATOM 509 CB ARG A 33 8.632 -11.783 7.420 1.00 0.00 C ATOM 510 CG ARG A 33 9.568 -12.761 6.730 1.00 0.00 C ATOM 511 CD ARG A 33 8.806 -13.724 5.834 1.00 0.00 C ATOM 512 NE ARG A 33 9.629 -14.860 5.426 1.00 0.00 N ATOM 513 CZ ARG A 33 9.344 -15.649 4.392 1.00 0.00 C ATOM 514 NH1 ARG A 33 8.260 -15.428 3.659 1.00 0.00 N ATOM 515 NH2 ARG A 33 10.146 -16.660 4.089 1.00 0.00 N ATOM 0 H ARG A 33 7.809 -10.159 9.241 1.00 0.00 H new ATOM 0 HA ARG A 33 10.375 -10.609 7.883 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.235 -12.248 8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.784 -11.581 6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.298 -12.210 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.125 -13.323 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.923 -14.087 6.360 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.455 -13.194 4.948 1.00 0.00 H new ATOM 0 HE ARG A 33 10.471 -15.061 5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.640 -14.650 3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.047 -16.036 2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.981 -16.834 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.928 -17.264 3.297 1.00 0.00 H new ATOM 529 N PHE A 34 8.862 -8.169 7.104 1.00 0.00 N ATOM 530 CA PHE A 34 8.614 -7.091 6.161 1.00 0.00 C ATOM 531 C PHE A 34 9.825 -6.859 5.262 1.00 0.00 C ATOM 532 O PHE A 34 10.956 -7.171 5.635 1.00 0.00 O ATOM 533 CB PHE A 34 8.272 -5.809 6.919 1.00 0.00 C ATOM 534 CG PHE A 34 9.404 -5.282 7.754 1.00 0.00 C ATOM 535 CD1 PHE A 34 9.613 -5.757 9.039 1.00 0.00 C ATOM 536 CD2 PHE A 34 10.258 -4.313 7.254 1.00 0.00 C ATOM 537 CE1 PHE A 34 10.654 -5.274 9.810 1.00 0.00 C ATOM 538 CE2 PHE A 34 11.301 -3.827 8.020 1.00 0.00 C ATOM 539 CZ PHE A 34 11.499 -4.308 9.299 1.00 0.00 C ATOM 0 H PHE A 34 8.879 -7.877 8.081 1.00 0.00 H new ATOM 0 HA PHE A 34 7.772 -7.375 5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.973 -5.043 6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.413 -5.996 7.564 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.955 -6.513 9.443 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.107 -3.933 6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.806 -5.651 10.810 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.960 -3.072 7.618 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.313 -3.930 9.899 1.00 0.00 H new ATOM 549 N ASP A 35 9.579 -6.309 4.078 1.00 0.00 N ATOM 550 CA ASP A 35 10.647 -6.032 3.126 1.00 0.00 C ATOM 551 C ASP A 35 10.986 -4.545 3.110 1.00 0.00 C ATOM 552 O ASP A 35 10.100 -3.699 2.998 1.00 0.00 O ATOM 553 CB ASP A 35 10.243 -6.491 1.724 1.00 0.00 C ATOM 554 CG ASP A 35 10.060 -7.994 1.638 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.938 -8.472 1.910 1.00 0.00 O ATOM 556 OD2 ASP A 35 11.038 -8.693 1.300 1.00 0.00 O ATOM 0 H ASP A 35 8.648 -6.046 3.755 1.00 0.00 H new ATOM 0 HA ASP A 35 11.532 -6.586 3.439 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.314 -5.998 1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.004 -6.179 1.009 1.00 0.00 H new ATOM 561 N ARG A 36 12.272 -4.234 3.226 1.00 0.00 N ATOM 562 CA ARG A 36 12.726 -2.847 3.228 1.00 0.00 C ATOM 563 C ARG A 36 12.546 -2.205 1.854 1.00 0.00 C ATOM 564 O ARG A 36 12.437 -0.985 1.740 1.00 0.00 O ATOM 565 CB ARG A 36 14.195 -2.772 3.649 1.00 0.00 C ATOM 566 CG ARG A 36 15.100 -3.713 2.871 1.00 0.00 C ATOM 567 CD ARG A 36 16.568 -3.385 3.091 1.00 0.00 C ATOM 568 NE ARG A 36 17.366 -4.584 3.336 1.00 0.00 N ATOM 569 CZ ARG A 36 18.690 -4.631 3.213 1.00 0.00 C ATOM 570 NH1 ARG A 36 19.369 -3.550 2.850 1.00 0.00 N ATOM 571 NH2 ARG A 36 19.338 -5.763 3.455 1.00 0.00 N ATOM 0 H ARG A 36 13.019 -4.922 3.320 1.00 0.00 H new ATOM 0 HA ARG A 36 12.117 -2.296 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.550 -1.750 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.272 -3.003 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.906 -4.741 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.867 -3.647 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.958 -2.863 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.665 -2.706 3.938 1.00 0.00 H new ATOM 0 HE ARG A 36 16.880 -5.435 3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.876 -2.677 2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 36 20.384 -3.592 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.821 -6.597 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 36 20.353 -5.800 3.361 1.00 0.00 H new ATOM 585 N HIS A 37 12.521 -3.033 0.814 1.00 0.00 N ATOM 586 CA HIS A 37 12.359 -2.539 -0.550 1.00 0.00 C ATOM 587 C HIS A 37 10.885 -2.435 -0.930 1.00 0.00 C ATOM 588 O HIS A 37 10.510 -1.625 -1.778 1.00 0.00 O ATOM 589 CB HIS A 37 13.086 -3.457 -1.534 1.00 0.00 C ATOM 590 CG HIS A 37 14.549 -3.163 -1.659 1.00 0.00 C ATOM 591 ND1 HIS A 37 15.527 -3.957 -1.097 1.00 0.00 N ATOM 592 CD2 HIS A 37 15.200 -2.155 -2.287 1.00 0.00 C ATOM 593 CE1 HIS A 37 16.716 -3.449 -1.373 1.00 0.00 C ATOM 594 NE2 HIS A 37 16.545 -2.357 -2.094 1.00 0.00 N ATOM 0 H HIS A 37 12.611 -4.046 0.889 1.00 0.00 H new ATOM 0 HA HIS A 37 12.794 -1.541 -0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.958 -4.492 -1.216 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.620 -3.366 -2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 37 14.746 -1.344 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 37 17.666 -3.858 -1.061 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.291 -1.760 -2.450 1.00 0.00 H new ATOM 603 N LEU A 38 10.052 -3.261 -0.304 1.00 0.00 N ATOM 604 CA LEU A 38 8.620 -3.259 -0.586 1.00 0.00 C ATOM 605 C LEU A 38 7.868 -2.343 0.377 1.00 0.00 C ATOM 606 O LEU A 38 6.805 -1.819 0.045 1.00 0.00 O ATOM 607 CB LEU A 38 8.061 -4.680 -0.496 1.00 0.00 C ATOM 608 CG LEU A 38 8.937 -5.762 -1.129 1.00 0.00 C ATOM 609 CD1 LEU A 38 8.351 -7.141 -0.872 1.00 0.00 C ATOM 610 CD2 LEU A 38 9.092 -5.515 -2.622 1.00 0.00 C ATOM 0 H LEU A 38 10.343 -3.939 0.400 1.00 0.00 H new ATOM 0 HA LEU A 38 8.479 -2.880 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.907 -4.927 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.082 -4.700 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 38 9.924 -5.719 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.988 -7.898 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.293 -7.317 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.352 -7.198 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.718 -6.294 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.111 -5.531 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.558 -4.543 -2.784 1.00 0.00 H new ATOM 622 N PHE A 39 8.423 -2.157 1.570 1.00 0.00 N ATOM 623 CA PHE A 39 7.799 -1.307 2.578 1.00 0.00 C ATOM 624 C PHE A 39 8.641 -0.062 2.838 1.00 0.00 C ATOM 625 O PHE A 39 9.808 0.003 2.454 1.00 0.00 O ATOM 626 CB PHE A 39 7.604 -2.084 3.881 1.00 0.00 C ATOM 627 CG PHE A 39 6.646 -3.235 3.755 1.00 0.00 C ATOM 628 CD1 PHE A 39 6.975 -4.347 2.996 1.00 0.00 C ATOM 629 CD2 PHE A 39 5.418 -3.205 4.396 1.00 0.00 C ATOM 630 CE1 PHE A 39 6.097 -5.407 2.879 1.00 0.00 C ATOM 631 CE2 PHE A 39 4.536 -4.262 4.282 1.00 0.00 C ATOM 632 CZ PHE A 39 4.875 -5.365 3.522 1.00 0.00 C ATOM 0 H PHE A 39 9.303 -2.583 1.862 1.00 0.00 H new ATOM 0 HA PHE A 39 6.826 -0.994 2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.570 -2.461 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.241 -1.402 4.650 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.929 -4.385 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.147 -2.346 4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.366 -6.268 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.582 -4.226 4.787 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.187 -6.192 3.431 1.00 0.00 H new ATOM 642 N GLN A 40 8.038 0.925 3.492 1.00 0.00 N ATOM 643 CA GLN A 40 8.729 2.171 3.805 1.00 0.00 C ATOM 644 C GLN A 40 9.526 2.041 5.098 1.00 0.00 C ATOM 645 O GLN A 40 9.445 1.026 5.790 1.00 0.00 O ATOM 646 CB GLN A 40 7.725 3.319 3.924 1.00 0.00 C ATOM 647 CG GLN A 40 7.411 3.993 2.598 1.00 0.00 C ATOM 648 CD GLN A 40 8.614 4.697 2.002 1.00 0.00 C ATOM 649 OE1 GLN A 40 9.199 5.584 2.623 1.00 0.00 O ATOM 650 NE2 GLN A 40 8.989 4.303 0.791 1.00 0.00 N ATOM 0 H GLN A 40 7.072 0.886 3.816 1.00 0.00 H new ATOM 0 HA GLN A 40 9.423 2.387 2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.800 2.938 4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.118 4.064 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.046 3.246 1.893 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.607 4.715 2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.474 3.563 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.792 4.740 0.338 1.00 0.00 H new ATOM 659 N THR A 41 10.295 3.077 5.418 1.00 0.00 N ATOM 660 CA THR A 41 11.108 3.081 6.629 1.00 0.00 C ATOM 661 C THR A 41 10.260 3.384 7.862 1.00 0.00 C ATOM 662 O THR A 41 10.641 3.051 8.984 1.00 0.00 O ATOM 663 CB THR A 41 12.235 4.108 6.507 1.00 0.00 C ATOM 664 OG1 THR A 41 13.087 4.054 7.637 1.00 0.00 O ATOM 665 CG2 THR A 41 11.736 5.531 6.376 1.00 0.00 C ATOM 0 H THR A 41 10.372 3.924 4.856 1.00 0.00 H new ATOM 0 HA THR A 41 11.539 2.087 6.746 1.00 0.00 H new ATOM 0 HB THR A 41 12.771 3.842 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.802 4.717 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.586 6.208 6.294 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.115 5.618 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.147 5.793 7.255 1.00 0.00 H new ATOM 673 N ARG A 42 9.110 4.018 7.649 1.00 0.00 N ATOM 674 CA ARG A 42 8.214 4.364 8.747 1.00 0.00 C ATOM 675 C ARG A 42 7.137 3.299 8.942 1.00 0.00 C ATOM 676 O ARG A 42 6.085 3.569 9.522 1.00 0.00 O ATOM 677 CB ARG A 42 7.561 5.723 8.489 1.00 0.00 C ATOM 678 CG ARG A 42 8.561 6.841 8.243 1.00 0.00 C ATOM 679 CD ARG A 42 8.762 7.693 9.486 1.00 0.00 C ATOM 680 NE ARG A 42 9.019 9.093 9.154 1.00 0.00 N ATOM 681 CZ ARG A 42 8.880 10.097 10.017 1.00 0.00 C ATOM 682 NH1 ARG A 42 8.488 9.861 11.263 1.00 0.00 N ATOM 683 NH2 ARG A 42 9.133 11.340 9.632 1.00 0.00 N ATOM 0 H ARG A 42 8.778 4.302 6.727 1.00 0.00 H new ATOM 0 HA ARG A 42 8.809 4.417 9.659 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.900 5.641 7.626 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.938 5.986 9.344 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.516 6.415 7.934 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.212 7.469 7.423 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.876 7.627 10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.597 7.298 10.065 1.00 0.00 H new ATOM 0 HE ARG A 42 9.323 9.314 8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.292 8.906 11.564 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.383 10.634 11.920 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.434 11.526 8.675 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.027 12.110 10.292 1.00 0.00 H new ATOM 697 N ALA A 43 7.403 2.090 8.456 1.00 0.00 N ATOM 698 CA ALA A 43 6.453 0.992 8.582 1.00 0.00 C ATOM 699 C ALA A 43 6.749 0.150 9.818 1.00 0.00 C ATOM 700 O ALA A 43 7.560 -0.775 9.772 1.00 0.00 O ATOM 701 CB ALA A 43 6.479 0.125 7.332 1.00 0.00 C ATOM 0 H ALA A 43 8.267 1.847 7.972 1.00 0.00 H new ATOM 0 HA ALA A 43 5.456 1.418 8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.765 -0.691 7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.212 0.729 6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.480 -0.285 7.194 1.00 0.00 H new ATOM 707 N THR A 44 6.088 0.477 10.924 1.00 0.00 N ATOM 708 CA THR A 44 6.282 -0.249 12.174 1.00 0.00 C ATOM 709 C THR A 44 5.053 -1.085 12.515 1.00 0.00 C ATOM 710 O THR A 44 5.163 -2.145 13.131 1.00 0.00 O ATOM 711 CB THR A 44 6.580 0.727 13.313 1.00 0.00 C ATOM 712 OG1 THR A 44 5.484 1.597 13.529 1.00 0.00 O ATOM 713 CG2 THR A 44 7.803 1.583 13.062 1.00 0.00 C ATOM 0 H THR A 44 5.413 1.240 10.980 1.00 0.00 H new ATOM 0 HA THR A 44 7.131 -0.920 12.047 1.00 0.00 H new ATOM 0 HB THR A 44 6.766 0.103 14.187 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.694 2.212 14.262 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.958 2.253 13.908 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.677 0.943 12.941 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.656 2.171 12.156 1.00 0.00 H new ATOM 721 N THR A 45 3.882 -0.602 12.111 1.00 0.00 N ATOM 722 CA THR A 45 2.633 -1.307 12.375 1.00 0.00 C ATOM 723 C THR A 45 1.642 -1.106 11.233 1.00 0.00 C ATOM 724 O THR A 45 1.930 -0.404 10.264 1.00 0.00 O ATOM 725 CB THR A 45 2.018 -0.824 13.689 1.00 0.00 C ATOM 726 OG1 THR A 45 1.432 0.456 13.529 1.00 0.00 O ATOM 727 CG2 THR A 45 3.019 -0.732 14.821 1.00 0.00 C ATOM 0 H THR A 45 3.772 0.274 11.600 1.00 0.00 H new ATOM 0 HA THR A 45 2.856 -2.371 12.455 1.00 0.00 H new ATOM 0 HB THR A 45 1.268 -1.572 13.948 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.618 1.002 14.321 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.517 -0.383 15.723 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.453 -1.715 15.004 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.809 -0.031 14.552 1.00 0.00 H new ATOM 735 N LEU A 46 0.474 -1.729 11.355 1.00 0.00 N ATOM 736 CA LEU A 46 -0.562 -1.621 10.334 1.00 0.00 C ATOM 737 C LEU A 46 -0.945 -0.164 10.095 1.00 0.00 C ATOM 738 O LEU A 46 -1.142 0.258 8.955 1.00 0.00 O ATOM 739 CB LEU A 46 -1.798 -2.423 10.746 1.00 0.00 C ATOM 740 CG LEU A 46 -1.619 -3.941 10.731 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.749 -4.620 11.489 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.551 -4.454 9.300 1.00 0.00 C ATOM 0 H LEU A 46 0.221 -2.314 12.151 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.163 -2.029 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.093 -2.117 11.750 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.620 -2.163 10.079 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.680 -4.182 11.229 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.604 -5.700 11.467 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.752 -4.275 12.523 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.702 -4.372 11.021 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.423 -5.536 9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.474 -4.201 8.778 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.707 -3.993 8.788 1.00 0.00 H new ATOM 754 N GLN A 47 -1.046 0.601 11.177 1.00 0.00 N ATOM 755 CA GLN A 47 -1.403 2.011 11.084 1.00 0.00 C ATOM 756 C GLN A 47 -0.327 2.793 10.337 1.00 0.00 C ATOM 757 O GLN A 47 -0.619 3.782 9.664 1.00 0.00 O ATOM 758 CB GLN A 47 -1.608 2.601 12.481 1.00 0.00 C ATOM 759 CG GLN A 47 -0.373 2.524 13.364 1.00 0.00 C ATOM 760 CD GLN A 47 -0.134 3.801 14.145 1.00 0.00 C ATOM 761 OE1 GLN A 47 -0.727 4.017 15.202 1.00 0.00 O ATOM 762 NE2 GLN A 47 0.740 4.657 13.627 1.00 0.00 N ATOM 0 H GLN A 47 -0.886 0.268 12.128 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.337 2.090 10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.910 3.644 12.385 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.428 2.075 12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.480 1.692 14.060 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.499 2.312 12.745 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.209 4.438 12.748 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.942 5.533 14.108 1.00 0.00 H new ATOM 771 N ALA A 48 0.917 2.339 10.456 1.00 0.00 N ATOM 772 CA ALA A 48 2.035 2.992 9.789 1.00 0.00 C ATOM 773 C ALA A 48 2.073 2.627 8.309 1.00 0.00 C ATOM 774 O ALA A 48 2.338 3.474 7.456 1.00 0.00 O ATOM 775 CB ALA A 48 3.346 2.614 10.462 1.00 0.00 C ATOM 0 H ALA A 48 1.175 1.521 11.009 1.00 0.00 H new ATOM 0 HA ALA A 48 1.898 4.070 9.870 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.173 3.109 9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.323 2.927 11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.483 1.534 10.410 1.00 0.00 H new ATOM 781 N CYS A 49 1.802 1.360 8.013 1.00 0.00 N ATOM 782 CA CYS A 49 1.801 0.881 6.636 1.00 0.00 C ATOM 783 C CYS A 49 0.655 1.508 5.849 1.00 0.00 C ATOM 784 O CYS A 49 0.830 1.923 4.704 1.00 0.00 O ATOM 785 CB CYS A 49 1.684 -0.644 6.605 1.00 0.00 C ATOM 786 SG CYS A 49 2.608 -1.428 5.263 1.00 0.00 S ATOM 0 H CYS A 49 1.580 0.647 8.708 1.00 0.00 H new ATOM 0 HA CYS A 49 2.743 1.174 6.171 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.036 -1.044 7.556 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.632 -0.915 6.514 1.00 0.00 H new ATOM 0 HG CYS A 49 3.247 -2.463 5.723 1.00 0.00 H new ATOM 792 N LEU A 50 -0.516 1.576 6.474 1.00 0.00 N ATOM 793 CA LEU A 50 -1.691 2.156 5.834 1.00 0.00 C ATOM 794 C LEU A 50 -1.494 3.650 5.601 1.00 0.00 C ATOM 795 O LEU A 50 -1.757 4.159 4.512 1.00 0.00 O ATOM 796 CB LEU A 50 -2.936 1.920 6.692 1.00 0.00 C ATOM 797 CG LEU A 50 -4.245 1.792 5.911 1.00 0.00 C ATOM 798 CD1 LEU A 50 -4.131 0.706 4.853 1.00 0.00 C ATOM 799 CD2 LEU A 50 -5.401 1.501 6.856 1.00 0.00 C ATOM 0 H LEU A 50 -0.676 1.237 7.422 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.829 1.668 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.789 1.012 7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.032 2.743 7.400 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.442 2.739 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.072 0.629 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.329 0.957 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.911 -0.248 5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.325 1.413 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.212 0.567 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.496 2.314 7.576 1.00 0.00 H new ATOM 811 N ASP A 51 -1.026 4.346 6.633 1.00 0.00 N ATOM 812 CA ASP A 51 -0.789 5.782 6.540 1.00 0.00 C ATOM 813 C ASP A 51 0.282 6.085 5.498 1.00 0.00 C ATOM 814 O ASP A 51 0.175 7.053 4.745 1.00 0.00 O ATOM 815 CB ASP A 51 -0.367 6.339 7.901 1.00 0.00 C ATOM 816 CG ASP A 51 -1.553 6.775 8.740 1.00 0.00 C ATOM 817 OD1 ASP A 51 -2.040 7.907 8.536 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.994 5.985 9.600 1.00 0.00 O ATOM 0 H ASP A 51 -0.804 3.939 7.542 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.718 6.262 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.198 5.580 8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.301 7.187 7.752 1.00 0.00 H new ATOM 823 N GLU A 52 1.314 5.248 5.459 1.00 0.00 N ATOM 824 CA GLU A 52 2.404 5.422 4.507 1.00 0.00 C ATOM 825 C GLU A 52 1.902 5.259 3.077 1.00 0.00 C ATOM 826 O GLU A 52 2.277 6.020 2.185 1.00 0.00 O ATOM 827 CB GLU A 52 3.521 4.415 4.787 1.00 0.00 C ATOM 828 CG GLU A 52 4.604 4.948 5.711 1.00 0.00 C ATOM 829 CD GLU A 52 5.586 5.855 4.996 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.173 6.539 4.036 1.00 0.00 O ATOM 831 OE2 GLU A 52 6.770 5.880 5.394 1.00 0.00 O ATOM 0 H GLU A 52 1.418 4.442 6.076 1.00 0.00 H new ATOM 0 HA GLU A 52 2.800 6.431 4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.087 3.518 5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.976 4.117 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.140 5.496 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.144 4.111 6.153 1.00 0.00 H new ATOM 838 N ALA A 53 1.047 4.263 2.866 1.00 0.00 N ATOM 839 CA ALA A 53 0.490 4.001 1.545 1.00 0.00 C ATOM 840 C ALA A 53 -0.294 5.205 1.037 1.00 0.00 C ATOM 841 O ALA A 53 -0.170 5.594 -0.125 1.00 0.00 O ATOM 842 CB ALA A 53 -0.399 2.767 1.583 1.00 0.00 C ATOM 0 H ALA A 53 0.725 3.625 3.593 1.00 0.00 H new ATOM 0 HA ALA A 53 1.315 3.818 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.808 2.583 0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.188 1.905 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.215 2.928 2.288 1.00 0.00 H new ATOM 848 N GLY A 54 -1.098 5.794 1.916 1.00 0.00 N ATOM 849 CA GLY A 54 -1.888 6.951 1.539 1.00 0.00 C ATOM 850 C GLY A 54 -1.025 8.136 1.154 1.00 0.00 C ATOM 851 O GLY A 54 -1.324 8.845 0.193 1.00 0.00 O ATOM 0 H GLY A 54 -1.216 5.491 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.536 6.689 0.702 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.537 7.231 2.369 1.00 0.00 H new ATOM 855 N ASP A 55 0.051 8.349 1.905 1.00 0.00 N ATOM 856 CA ASP A 55 0.964 9.454 1.638 1.00 0.00 C ATOM 857 C ASP A 55 1.799 9.175 0.393 1.00 0.00 C ATOM 858 O ASP A 55 2.160 10.093 -0.344 1.00 0.00 O ATOM 859 CB ASP A 55 1.880 9.689 2.839 1.00 0.00 C ATOM 860 CG ASP A 55 2.235 11.152 3.019 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.354 11.929 3.441 1.00 0.00 O ATOM 862 OD2 ASP A 55 3.394 11.521 2.736 1.00 0.00 O ATOM 0 H ASP A 55 0.312 7.770 2.704 1.00 0.00 H new ATOM 0 HA ASP A 55 0.370 10.351 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.391 9.323 3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.794 9.109 2.714 1.00 0.00 H new ATOM 867 N ASN A 56 2.101 7.901 0.163 1.00 0.00 N ATOM 868 CA ASN A 56 2.892 7.499 -0.993 1.00 0.00 C ATOM 869 C ASN A 56 2.149 7.804 -2.289 1.00 0.00 C ATOM 870 O ASN A 56 2.679 8.468 -3.179 1.00 0.00 O ATOM 871 CB ASN A 56 3.221 6.007 -0.919 1.00 0.00 C ATOM 872 CG ASN A 56 4.509 5.735 -0.166 1.00 0.00 C ATOM 873 OD1 ASN A 56 5.519 6.406 -0.377 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.479 4.746 0.719 1.00 0.00 N ATOM 0 H ASN A 56 1.809 7.129 0.763 1.00 0.00 H new ATOM 0 HA ASN A 56 3.821 8.069 -0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.400 5.481 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.302 5.605 -1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.315 4.517 1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.620 4.215 0.862 1.00 0.00 H new ATOM 881 N LEU A 57 0.917 7.316 -2.387 1.00 0.00 N ATOM 882 CA LEU A 57 0.099 7.539 -3.573 1.00 0.00 C ATOM 883 C LEU A 57 -0.222 9.020 -3.736 1.00 0.00 C ATOM 884 O LEU A 57 -0.276 9.535 -4.853 1.00 0.00 O ATOM 885 CB LEU A 57 -1.197 6.729 -3.486 1.00 0.00 C ATOM 886 CG LEU A 57 -2.025 6.967 -2.222 1.00 0.00 C ATOM 887 CD1 LEU A 57 -3.058 8.057 -2.458 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.700 5.678 -1.777 1.00 0.00 C ATOM 0 H LEU A 57 0.463 6.764 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 57 0.665 7.209 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.813 6.963 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.950 5.669 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.355 7.296 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.637 8.212 -1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.553 8.984 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.725 7.757 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.285 5.866 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.358 5.320 -2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.942 4.924 -1.566 1.00 0.00 H new ATOM 900 N ALA A 58 -0.433 9.701 -2.614 1.00 0.00 N ATOM 901 CA ALA A 58 -0.746 11.124 -2.632 1.00 0.00 C ATOM 902 C ALA A 58 0.431 11.934 -3.164 1.00 0.00 C ATOM 903 O ALA A 58 0.265 12.801 -4.022 1.00 0.00 O ATOM 904 CB ALA A 58 -1.129 11.598 -1.239 1.00 0.00 C ATOM 0 H ALA A 58 -0.393 9.290 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.593 11.278 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.360 12.663 -1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.003 11.046 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.298 11.425 -0.555 1.00 0.00 H new ATOM 910 N ALA A 59 1.622 11.644 -2.650 1.00 0.00 N ATOM 911 CA ALA A 59 2.828 12.343 -3.074 1.00 0.00 C ATOM 912 C ALA A 59 3.113 12.094 -4.551 1.00 0.00 C ATOM 913 O ALA A 59 3.604 12.975 -5.256 1.00 0.00 O ATOM 914 CB ALA A 59 4.014 11.910 -2.225 1.00 0.00 C ATOM 0 H ALA A 59 1.777 10.929 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 59 2.668 13.412 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.909 12.440 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.817 12.143 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.168 10.836 -2.335 1.00 0.00 H new ATOM 920 N LEU A 60 2.798 10.888 -5.013 1.00 0.00 N ATOM 921 CA LEU A 60 3.017 10.522 -6.407 1.00 0.00 C ATOM 922 C LEU A 60 2.148 11.368 -7.332 1.00 0.00 C ATOM 923 O LEU A 60 2.617 11.870 -8.354 1.00 0.00 O ATOM 924 CB LEU A 60 2.715 9.038 -6.621 1.00 0.00 C ATOM 925 CG LEU A 60 3.081 8.494 -8.003 1.00 0.00 C ATOM 926 CD1 LEU A 60 4.560 8.707 -8.286 1.00 0.00 C ATOM 927 CD2 LEU A 60 2.723 7.019 -8.106 1.00 0.00 C ATOM 0 H LEU A 60 2.390 10.148 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 60 4.064 10.710 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.251 8.462 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.651 8.872 -6.452 1.00 0.00 H new ATOM 0 HG LEU A 60 2.507 9.040 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.802 8.314 -9.273 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.787 9.773 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.153 8.187 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.990 6.648 -9.096 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.270 6.458 -7.348 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.652 6.893 -7.948 1.00 0.00 H new ATOM 939 N ARG A 61 0.881 11.524 -6.965 1.00 0.00 N ATOM 940 CA ARG A 61 -0.054 12.312 -7.760 1.00 0.00 C ATOM 941 C ARG A 61 0.392 13.769 -7.831 1.00 0.00 C ATOM 942 O ARG A 61 0.297 14.407 -8.879 1.00 0.00 O ATOM 943 CB ARG A 61 -1.462 12.223 -7.166 1.00 0.00 C ATOM 944 CG ARG A 61 -2.346 11.193 -7.850 1.00 0.00 C ATOM 945 CD ARG A 61 -3.403 10.650 -6.903 1.00 0.00 C ATOM 946 NE ARG A 61 -4.683 11.338 -7.059 1.00 0.00 N ATOM 947 CZ ARG A 61 -5.754 11.091 -6.307 1.00 0.00 C ATOM 948 NH1 ARG A 61 -5.703 10.175 -5.348 1.00 0.00 N ATOM 949 NH2 ARG A 61 -6.878 11.762 -6.515 1.00 0.00 N ATOM 0 H ARG A 61 0.478 11.115 -6.122 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.070 11.905 -8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.386 11.978 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.938 13.201 -7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.829 11.645 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.731 10.372 -8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.540 9.584 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.057 10.756 -5.875 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.761 12.049 -7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.840 9.656 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.526 9.990 -4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.922 12.467 -7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.699 11.573 -5.939 1.00 0.00 H new ATOM 963 N HIS A 62 0.878 14.288 -6.709 1.00 0.00 N ATOM 964 CA HIS A 62 1.340 15.670 -6.642 1.00 0.00 C ATOM 965 C HIS A 62 2.713 15.820 -7.293 1.00 0.00 C ATOM 966 O HIS A 62 3.065 16.895 -7.778 1.00 0.00 O ATOM 967 CB HIS A 62 1.400 16.139 -5.187 1.00 0.00 C ATOM 968 CG HIS A 62 1.457 17.628 -5.040 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.489 18.357 -4.382 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.375 18.526 -5.469 1.00 0.00 C ATOM 971 CE1 HIS A 62 0.808 19.639 -4.415 1.00 0.00 C ATOM 972 NE2 HIS A 62 1.948 19.768 -5.067 1.00 0.00 N ATOM 0 H HIS A 62 0.962 13.773 -5.833 1.00 0.00 H new ATOM 0 HA HIS A 62 0.630 16.290 -7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.525 15.763 -4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.276 15.701 -4.708 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.275 18.307 -6.024 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.233 20.444 -3.982 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.433 20.648 -5.244 1.00 0.00 H new ATOM 981 N ALA A 63 3.485 14.737 -7.297 1.00 0.00 N ATOM 982 CA ALA A 63 4.820 14.749 -7.885 1.00 0.00 C ATOM 983 C ALA A 63 4.786 15.233 -9.332 1.00 0.00 C ATOM 984 O ALA A 63 5.755 15.808 -9.826 1.00 0.00 O ATOM 985 CB ALA A 63 5.442 13.362 -7.806 1.00 0.00 C ATOM 0 H ALA A 63 3.208 13.839 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 63 5.432 15.447 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.438 13.384 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.515 13.055 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.819 12.652 -8.351 1.00 0.00 H new ATOM 991 N VAL A 64 3.665 14.996 -10.007 1.00 0.00 N ATOM 992 CA VAL A 64 3.507 15.409 -11.397 1.00 0.00 C ATOM 993 C VAL A 64 3.777 16.902 -11.566 1.00 0.00 C ATOM 994 O VAL A 64 4.168 17.354 -12.643 1.00 0.00 O ATOM 995 CB VAL A 64 2.093 15.093 -11.921 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.844 13.593 -11.912 1.00 0.00 C ATOM 997 CG2 VAL A 64 1.042 15.821 -11.098 1.00 0.00 C ATOM 0 H VAL A 64 2.853 14.520 -9.614 1.00 0.00 H new ATOM 0 HA VAL A 64 4.237 14.844 -11.976 1.00 0.00 H new ATOM 0 HB VAL A 64 2.020 15.444 -12.950 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.841 13.389 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.576 13.099 -12.550 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.936 13.215 -10.894 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.050 15.585 -11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.111 15.505 -10.057 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.210 16.896 -11.162 1.00 0.00 H new ATOM 1007 N GLU A 65 3.565 17.662 -10.497 1.00 0.00 N ATOM 1008 CA GLU A 65 3.784 19.103 -10.528 1.00 0.00 C ATOM 1009 C GLU A 65 5.251 19.430 -10.796 1.00 0.00 C ATOM 1010 O GLU A 65 5.569 20.474 -11.365 1.00 0.00 O ATOM 1011 CB GLU A 65 3.344 19.735 -9.206 1.00 0.00 C ATOM 1012 CG GLU A 65 1.840 19.916 -9.089 1.00 0.00 C ATOM 1013 CD GLU A 65 1.461 21.122 -8.252 1.00 0.00 C ATOM 1014 OE1 GLU A 65 2.108 21.347 -7.208 1.00 0.00 O ATOM 1015 OE2 GLU A 65 0.517 21.842 -8.641 1.00 0.00 O ATOM 0 H GLU A 65 3.242 17.304 -9.598 1.00 0.00 H new ATOM 0 HA GLU A 65 3.186 19.516 -11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.692 19.112 -8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.828 20.706 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.412 20.021 -10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.403 19.020 -8.647 1.00 0.00 H new ATOM 1022 N GLN A 66 6.141 18.532 -10.383 1.00 0.00 N ATOM 1023 CA GLN A 66 7.573 18.733 -10.579 1.00 0.00 C ATOM 1024 C GLN A 66 8.113 17.837 -11.695 1.00 0.00 C ATOM 1025 O GLN A 66 9.325 17.669 -11.832 1.00 0.00 O ATOM 1026 CB GLN A 66 8.329 18.462 -9.276 1.00 0.00 C ATOM 1027 CG GLN A 66 8.846 19.723 -8.600 1.00 0.00 C ATOM 1028 CD GLN A 66 10.359 19.759 -8.510 1.00 0.00 C ATOM 1029 OE1 GLN A 66 11.018 20.508 -9.230 1.00 0.00 O ATOM 1030 NE2 GLN A 66 10.918 18.945 -7.621 1.00 0.00 N ATOM 0 H GLN A 66 5.897 17.661 -9.912 1.00 0.00 H new ATOM 0 HA GLN A 66 7.728 19.771 -10.874 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.671 17.934 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.170 17.800 -9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.498 20.596 -9.153 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.425 19.792 -7.597 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.333 18.340 -7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.932 18.925 -7.515 1.00 0.00 H new ATOM 1039 N GLN A 67 7.213 17.269 -12.493 1.00 0.00 N ATOM 1040 CA GLN A 67 7.610 16.400 -13.597 1.00 0.00 C ATOM 1041 C GLN A 67 8.433 15.213 -13.098 1.00 0.00 C ATOM 1042 O GLN A 67 9.581 15.028 -13.502 1.00 0.00 O ATOM 1043 CB GLN A 67 8.408 17.193 -14.633 1.00 0.00 C ATOM 1044 CG GLN A 67 7.546 18.077 -15.519 1.00 0.00 C ATOM 1045 CD GLN A 67 7.724 19.553 -15.222 1.00 0.00 C ATOM 1046 OE1 GLN A 67 8.542 20.230 -15.845 1.00 0.00 O ATOM 1047 NE2 GLN A 67 6.956 20.061 -14.265 1.00 0.00 N ATOM 0 H GLN A 67 6.205 17.395 -12.396 1.00 0.00 H new ATOM 0 HA GLN A 67 6.704 16.013 -14.063 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.141 17.814 -14.117 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.965 16.497 -15.260 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.793 17.888 -16.564 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.498 17.807 -15.385 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.291 19.464 -13.774 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.031 21.049 -14.021 1.00 0.00 H new ATOM 1056 N GLN A 68 7.837 14.410 -12.222 1.00 0.00 N ATOM 1057 CA GLN A 68 8.514 13.239 -11.673 1.00 0.00 C ATOM 1058 C GLN A 68 8.156 11.982 -12.463 1.00 0.00 C ATOM 1059 O GLN A 68 7.999 10.902 -11.895 1.00 0.00 O ATOM 1060 CB GLN A 68 8.148 13.055 -10.198 1.00 0.00 C ATOM 1061 CG GLN A 68 9.157 13.670 -9.241 1.00 0.00 C ATOM 1062 CD GLN A 68 8.949 15.159 -9.054 1.00 0.00 C ATOM 1063 OE1 GLN A 68 8.244 15.801 -9.833 1.00 0.00 O ATOM 1064 NE2 GLN A 68 9.566 15.718 -8.019 1.00 0.00 N ATOM 0 H GLN A 68 6.887 14.548 -11.877 1.00 0.00 H new ATOM 0 HA GLN A 68 9.589 13.401 -11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.169 13.500 -10.017 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.059 11.990 -9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.085 13.172 -8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.164 13.492 -9.617 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.141 15.147 -7.399 1.00 0.00 H new ATOM 0 HE22 GLN A 68 9.465 16.718 -7.844 1.00 0.00 H new ATOM 1073 N LEU A 69 8.027 12.134 -13.779 1.00 0.00 N ATOM 1074 CA LEU A 69 7.686 11.016 -14.655 1.00 0.00 C ATOM 1075 C LEU A 69 8.575 9.799 -14.392 1.00 0.00 C ATOM 1076 O LEU A 69 8.073 8.695 -14.184 1.00 0.00 O ATOM 1077 CB LEU A 69 7.799 11.437 -16.123 1.00 0.00 C ATOM 1078 CG LEU A 69 7.207 12.812 -16.449 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.306 13.794 -16.825 1.00 0.00 C ATOM 1080 CD2 LEU A 69 6.184 12.702 -17.571 1.00 0.00 C ATOM 0 H LEU A 69 8.154 13.023 -14.263 1.00 0.00 H new ATOM 0 HA LEU A 69 6.656 10.732 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.852 11.435 -16.406 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.302 10.688 -16.740 1.00 0.00 H new ATOM 0 HG LEU A 69 6.702 13.186 -15.558 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.865 14.764 -17.053 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.001 13.898 -15.992 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.841 13.424 -17.700 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.775 13.689 -17.788 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.665 12.304 -18.464 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.379 12.034 -17.265 1.00 0.00 H new ATOM 1092 N PRO A 70 9.912 9.975 -14.399 1.00 0.00 N ATOM 1093 CA PRO A 70 10.847 8.869 -14.162 1.00 0.00 C ATOM 1094 C PRO A 70 10.723 8.295 -12.755 1.00 0.00 C ATOM 1095 O PRO A 70 10.757 7.079 -12.565 1.00 0.00 O ATOM 1096 CB PRO A 70 12.226 9.507 -14.361 1.00 0.00 C ATOM 1097 CG PRO A 70 12.009 10.966 -14.154 1.00 0.00 C ATOM 1098 CD PRO A 70 10.616 11.249 -14.640 1.00 0.00 C ATOM 0 HA PRO A 70 10.655 8.029 -14.830 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.951 9.111 -13.650 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.615 9.303 -15.359 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.117 11.231 -13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.742 11.552 -14.708 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.158 12.073 -14.093 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.605 11.522 -15.695 1.00 0.00 H new ATOM 1106 N GLN A 71 10.579 9.176 -11.770 1.00 0.00 N ATOM 1107 CA GLN A 71 10.450 8.753 -10.380 1.00 0.00 C ATOM 1108 C GLN A 71 9.225 7.864 -10.188 1.00 0.00 C ATOM 1109 O GLN A 71 9.189 7.029 -9.284 1.00 0.00 O ATOM 1110 CB GLN A 71 10.359 9.972 -9.461 1.00 0.00 C ATOM 1111 CG GLN A 71 11.588 10.866 -9.512 1.00 0.00 C ATOM 1112 CD GLN A 71 12.581 10.556 -8.409 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.790 11.361 -7.502 1.00 0.00 O ATOM 1114 NE2 GLN A 71 13.199 9.383 -8.482 1.00 0.00 N ATOM 0 H GLN A 71 10.549 10.186 -11.908 1.00 0.00 H new ATOM 0 HA GLN A 71 11.337 8.175 -10.121 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.482 10.558 -9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.209 9.633 -8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.077 10.750 -10.479 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.278 11.908 -9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.995 8.746 -9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.878 9.119 -7.768 1.00 0.00 H new ATOM 1123 N VAL A 72 8.223 8.047 -11.043 1.00 0.00 N ATOM 1124 CA VAL A 72 6.997 7.261 -10.965 1.00 0.00 C ATOM 1125 C VAL A 72 7.293 5.767 -11.058 1.00 0.00 C ATOM 1126 O VAL A 72 6.561 4.945 -10.508 1.00 0.00 O ATOM 1127 CB VAL A 72 6.009 7.647 -12.082 1.00 0.00 C ATOM 1128 CG1 VAL A 72 4.674 6.945 -11.887 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.824 9.156 -12.130 1.00 0.00 C ATOM 0 H VAL A 72 8.236 8.733 -11.798 1.00 0.00 H new ATOM 0 HA VAL A 72 6.544 7.479 -9.998 1.00 0.00 H new ATOM 0 HB VAL A 72 6.425 7.322 -13.036 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.992 7.232 -12.687 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.824 5.866 -11.908 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.248 7.233 -10.926 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.123 9.412 -12.925 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.432 9.505 -11.175 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.784 9.634 -12.325 1.00 0.00 H new ATOM 1139 N ALA A 73 8.369 5.421 -11.757 1.00 0.00 N ATOM 1140 CA ALA A 73 8.757 4.025 -11.919 1.00 0.00 C ATOM 1141 C ALA A 73 9.041 3.376 -10.569 1.00 0.00 C ATOM 1142 O ALA A 73 8.483 2.327 -10.243 1.00 0.00 O ATOM 1143 CB ALA A 73 9.974 3.918 -12.825 1.00 0.00 C ATOM 0 H ALA A 73 8.987 6.087 -12.220 1.00 0.00 H new ATOM 0 HA ALA A 73 7.926 3.493 -12.382 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.253 2.870 -12.937 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.738 4.337 -13.803 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.805 4.469 -12.385 1.00 0.00 H new ATOM 1149 N TRP A 74 9.912 4.005 -9.787 1.00 0.00 N ATOM 1150 CA TRP A 74 10.270 3.489 -8.471 1.00 0.00 C ATOM 1151 C TRP A 74 9.080 3.554 -7.519 1.00 0.00 C ATOM 1152 O TRP A 74 8.779 2.587 -6.819 1.00 0.00 O ATOM 1153 CB TRP A 74 11.445 4.279 -7.893 1.00 0.00 C ATOM 1154 CG TRP A 74 12.250 3.502 -6.897 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.685 2.214 -7.021 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.716 3.962 -5.623 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.394 1.845 -5.903 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.427 2.901 -5.031 1.00 0.00 C ATOM 1159 CE3 TRP A 74 12.603 5.169 -4.927 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 14.020 3.012 -3.775 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 13.192 5.277 -3.681 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.893 4.204 -3.117 1.00 0.00 C ATOM 0 H TRP A 74 10.383 4.873 -10.042 1.00 0.00 H new ATOM 0 HA TRP A 74 10.564 2.446 -8.585 1.00 0.00 H new ATOM 0 HB2 TRP A 74 12.096 4.596 -8.708 1.00 0.00 H new ATOM 0 HB3 TRP A 74 11.066 5.184 -7.417 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.499 1.578 -7.874 1.00 0.00 H new ATOM 0 HE1 TRP A 74 13.825 0.934 -5.748 1.00 0.00 H new ATOM 0 HE3 TRP A 74 12.065 6.002 -5.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.561 2.186 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.110 6.204 -3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.343 4.320 -2.142 1.00 0.00 H new ATOM 1173 N LEU A 75 8.407 4.700 -7.499 1.00 0.00 N ATOM 1174 CA LEU A 75 7.249 4.890 -6.633 1.00 0.00 C ATOM 1175 C LEU A 75 6.157 3.877 -6.957 1.00 0.00 C ATOM 1176 O LEU A 75 5.498 3.351 -6.060 1.00 0.00 O ATOM 1177 CB LEU A 75 6.703 6.312 -6.781 1.00 0.00 C ATOM 1178 CG LEU A 75 7.418 7.371 -5.940 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.424 8.710 -6.661 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.757 7.502 -4.576 1.00 0.00 C ATOM 0 H LEU A 75 8.643 5.510 -8.072 1.00 0.00 H new ATOM 0 HA LEU A 75 7.568 4.737 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.764 6.601 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.647 6.309 -6.512 1.00 0.00 H new ATOM 0 HG LEU A 75 8.451 7.055 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.937 9.451 -6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.942 8.607 -7.615 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.398 9.033 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.278 8.259 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.715 7.795 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.804 6.545 -4.056 1.00 0.00 H new ATOM 1192 N ALA A 76 5.971 3.606 -8.245 1.00 0.00 N ATOM 1193 CA ALA A 76 4.960 2.655 -8.688 1.00 0.00 C ATOM 1194 C ALA A 76 5.242 1.262 -8.136 1.00 0.00 C ATOM 1195 O ALA A 76 4.368 0.630 -7.542 1.00 0.00 O ATOM 1196 CB ALA A 76 4.899 2.620 -10.207 1.00 0.00 C ATOM 0 H ALA A 76 6.508 4.032 -9.000 1.00 0.00 H new ATOM 0 HA ALA A 76 3.994 2.982 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.140 1.905 -10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.645 3.611 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.869 2.319 -10.603 1.00 0.00 H new ATOM 1202 N GLU A 77 6.468 0.789 -8.336 1.00 0.00 N ATOM 1203 CA GLU A 77 6.864 -0.530 -7.856 1.00 0.00 C ATOM 1204 C GLU A 77 6.736 -0.616 -6.339 1.00 0.00 C ATOM 1205 O GLU A 77 6.333 -1.646 -5.797 1.00 0.00 O ATOM 1206 CB GLU A 77 8.303 -0.837 -8.277 1.00 0.00 C ATOM 1207 CG GLU A 77 8.418 -1.408 -9.681 1.00 0.00 C ATOM 1208 CD GLU A 77 8.136 -2.897 -9.730 1.00 0.00 C ATOM 1209 OE1 GLU A 77 6.994 -3.295 -9.418 1.00 0.00 O ATOM 1210 OE2 GLU A 77 9.057 -3.664 -10.079 1.00 0.00 O ATOM 0 H GLU A 77 7.203 1.298 -8.826 1.00 0.00 H new ATOM 0 HA GLU A 77 6.197 -1.268 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.893 0.077 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.737 -1.544 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.721 -0.888 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.420 -1.219 -10.065 1.00 0.00 H new ATOM 1217 N HIS A 78 7.079 0.473 -5.659 1.00 0.00 N ATOM 1218 CA HIS A 78 7.000 0.522 -4.204 1.00 0.00 C ATOM 1219 C HIS A 78 5.548 0.497 -3.738 1.00 0.00 C ATOM 1220 O HIS A 78 5.195 -0.232 -2.810 1.00 0.00 O ATOM 1221 CB HIS A 78 7.698 1.778 -3.676 1.00 0.00 C ATOM 1222 CG HIS A 78 8.576 1.522 -2.494 1.00 0.00 C ATOM 1223 ND1 HIS A 78 9.941 1.720 -2.509 1.00 0.00 N ATOM 1224 CD2 HIS A 78 8.275 1.083 -1.253 1.00 0.00 C ATOM 1225 CE1 HIS A 78 10.441 1.411 -1.326 1.00 0.00 C ATOM 1226 NE2 HIS A 78 9.450 1.022 -0.545 1.00 0.00 N ATOM 0 H HIS A 78 7.414 1.333 -6.092 1.00 0.00 H new ATOM 0 HA HIS A 78 7.505 -0.359 -3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.297 2.214 -4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.943 2.516 -3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.292 0.827 -0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.482 1.467 -1.046 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.542 0.725 0.426 1.00 0.00 H new ATOM 1235 N LEU A 79 4.709 1.296 -4.389 1.00 0.00 N ATOM 1236 CA LEU A 79 3.294 1.365 -4.043 1.00 0.00 C ATOM 1237 C LEU A 79 2.590 0.054 -4.377 1.00 0.00 C ATOM 1238 O LEU A 79 1.724 -0.405 -3.631 1.00 0.00 O ATOM 1239 CB LEU A 79 2.622 2.522 -4.785 1.00 0.00 C ATOM 1240 CG LEU A 79 2.642 3.863 -4.048 1.00 0.00 C ATOM 1241 CD1 LEU A 79 2.822 5.010 -5.030 1.00 0.00 C ATOM 1242 CD2 LEU A 79 1.365 4.044 -3.240 1.00 0.00 C ATOM 0 H LEU A 79 4.985 1.905 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 79 3.215 1.537 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.112 2.648 -5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.586 2.251 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 79 3.488 3.867 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.834 5.955 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.764 4.887 -5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.998 5.011 -5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.395 5.003 -2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.505 4.020 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.279 3.239 -2.510 1.00 0.00 H new ATOM 1254 N ALA A 80 2.968 -0.545 -5.502 1.00 0.00 N ATOM 1255 CA ALA A 80 2.373 -1.804 -5.934 1.00 0.00 C ATOM 1256 C ALA A 80 2.742 -2.938 -4.985 1.00 0.00 C ATOM 1257 O ALA A 80 1.880 -3.701 -4.549 1.00 0.00 O ATOM 1258 CB ALA A 80 2.813 -2.135 -7.352 1.00 0.00 C ATOM 0 H ALA A 80 3.683 -0.179 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 80 1.289 -1.691 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.362 -3.077 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.494 -1.340 -8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.899 -2.225 -7.384 1.00 0.00 H new ATOM 1264 N ALA A 81 4.029 -3.043 -4.668 1.00 0.00 N ATOM 1265 CA ALA A 81 4.511 -4.085 -3.769 1.00 0.00 C ATOM 1266 C ALA A 81 3.853 -3.972 -2.399 1.00 0.00 C ATOM 1267 O ALA A 81 3.460 -4.975 -1.803 1.00 0.00 O ATOM 1268 CB ALA A 81 6.025 -4.009 -3.638 1.00 0.00 C ATOM 0 H ALA A 81 4.756 -2.420 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 81 4.243 -5.052 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.372 -4.792 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.482 -4.145 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.307 -3.035 -3.238 1.00 0.00 H new ATOM 1274 N GLN A 82 3.735 -2.744 -1.904 1.00 0.00 N ATOM 1275 CA GLN A 82 3.123 -2.500 -0.603 1.00 0.00 C ATOM 1276 C GLN A 82 1.644 -2.872 -0.621 1.00 0.00 C ATOM 1277 O GLN A 82 1.161 -3.580 0.263 1.00 0.00 O ATOM 1278 CB GLN A 82 3.287 -1.031 -0.207 1.00 0.00 C ATOM 1279 CG GLN A 82 3.295 -0.803 1.296 1.00 0.00 C ATOM 1280 CD GLN A 82 3.749 0.593 1.671 1.00 0.00 C ATOM 1281 OE1 GLN A 82 4.947 0.867 1.755 1.00 0.00 O ATOM 1282 NE2 GLN A 82 2.793 1.486 1.901 1.00 0.00 N ATOM 0 H GLN A 82 4.055 -1.903 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 82 3.628 -3.126 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 82 4.218 -0.651 -0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.477 -0.451 -0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.294 -0.974 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.952 -1.534 1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.813 1.216 1.820 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.039 2.442 2.159 1.00 0.00 H new ATOM 1291 N LEU A 83 0.930 -2.391 -1.634 1.00 0.00 N ATOM 1292 CA LEU A 83 -0.494 -2.674 -1.767 1.00 0.00 C ATOM 1293 C LEU A 83 -0.744 -4.175 -1.878 1.00 0.00 C ATOM 1294 O LEU A 83 -1.746 -4.686 -1.378 1.00 0.00 O ATOM 1295 CB LEU A 83 -1.064 -1.956 -2.993 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.434 -1.308 -2.786 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -2.773 -0.392 -3.952 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.506 -2.373 -2.614 1.00 0.00 C ATOM 0 H LEU A 83 1.314 -1.804 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.998 -2.307 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.358 -1.186 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.138 -2.671 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.397 -0.707 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.751 0.060 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.020 0.392 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.792 -0.970 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.474 -1.894 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.542 -3.000 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.271 -2.989 -1.746 1.00 0.00 H new ATOM 1310 N GLU A 84 0.174 -4.875 -2.537 1.00 0.00 N ATOM 1311 CA GLU A 84 0.054 -6.318 -2.714 1.00 0.00 C ATOM 1312 C GLU A 84 0.247 -7.047 -1.388 1.00 0.00 C ATOM 1313 O GLU A 84 -0.529 -7.938 -1.040 1.00 0.00 O ATOM 1314 CB GLU A 84 1.077 -6.814 -3.737 1.00 0.00 C ATOM 1315 CG GLU A 84 0.681 -6.537 -5.178 1.00 0.00 C ATOM 1316 CD GLU A 84 1.547 -7.282 -6.175 1.00 0.00 C ATOM 1317 OE1 GLU A 84 2.693 -6.844 -6.409 1.00 0.00 O ATOM 1318 OE2 GLU A 84 1.078 -8.302 -6.722 1.00 0.00 O ATOM 0 H GLU A 84 1.009 -4.467 -2.957 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.950 -6.532 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.038 -6.341 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.217 -7.887 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.361 -6.820 -5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.751 -5.466 -5.371 1.00 0.00 H new ATOM 1325 N ALA A 85 1.286 -6.664 -0.653 1.00 0.00 N ATOM 1326 CA ALA A 85 1.581 -7.282 0.634 1.00 0.00 C ATOM 1327 C ALA A 85 0.418 -7.109 1.605 1.00 0.00 C ATOM 1328 O ALA A 85 0.034 -8.047 2.303 1.00 0.00 O ATOM 1329 CB ALA A 85 2.855 -6.695 1.221 1.00 0.00 C ATOM 0 H ALA A 85 1.938 -5.929 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 85 1.728 -8.350 0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.063 -7.165 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.687 -6.877 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.730 -5.621 1.362 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.138 -5.903 1.645 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.257 -5.606 2.530 1.00 0.00 C ATOM 1337 C ILE A 86 -2.483 -6.434 2.157 1.00 0.00 C ATOM 1338 O ILE A 86 -3.136 -7.019 3.021 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.626 -4.109 2.488 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.393 -3.250 2.772 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.733 -3.801 3.487 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.454 -1.876 2.139 1.00 0.00 C ATOM 0 H ILE A 86 0.169 -5.115 1.074 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.941 -5.864 3.541 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.992 -3.872 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.278 -3.140 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.493 -3.770 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.979 -2.740 3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.618 -4.389 3.243 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.396 -4.053 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.453 -1.323 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.538 -1.977 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.321 -1.337 2.521 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.789 -6.478 0.865 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.936 -7.234 0.378 1.00 0.00 C ATOM 1356 C ALA A 87 -3.793 -8.718 0.701 1.00 0.00 C ATOM 1357 O ALA A 87 -4.765 -9.380 1.066 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.102 -7.032 -1.121 1.00 0.00 C ATOM 0 H ALA A 87 -2.259 -5.999 0.137 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.827 -6.863 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.962 -7.602 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.258 -5.974 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.205 -7.375 -1.636 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.576 -9.233 0.566 1.00 0.00 N ATOM 1365 CA ARG A 88 -2.306 -10.639 0.845 1.00 0.00 C ATOM 1366 C ARG A 88 -2.420 -10.929 2.338 1.00 0.00 C ATOM 1367 O ARG A 88 -3.047 -11.908 2.744 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.911 -11.021 0.345 1.00 0.00 C ATOM 1369 CG ARG A 88 -0.805 -11.088 -1.169 1.00 0.00 C ATOM 1370 CD ARG A 88 0.542 -11.639 -1.610 1.00 0.00 C ATOM 1371 NE ARG A 88 0.636 -13.083 -1.407 1.00 0.00 N ATOM 1372 CZ ARG A 88 1.703 -13.809 -1.730 1.00 0.00 C ATOM 1373 NH1 ARG A 88 2.769 -13.230 -2.270 1.00 0.00 N ATOM 1374 NH2 ARG A 88 1.706 -15.117 -1.512 1.00 0.00 N ATOM 0 H ARG A 88 -1.761 -8.698 0.265 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.050 -11.237 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.189 -10.296 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.637 -11.989 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.603 -11.717 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.947 -10.092 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.700 -11.410 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.337 -11.142 -1.053 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.164 -13.563 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.772 -12.224 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.585 -13.791 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.890 -15.567 -1.097 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.524 -15.673 -1.760 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.812 -10.072 3.151 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.845 -10.237 4.599 1.00 0.00 C ATOM 1390 C GLU A 89 -3.276 -10.148 5.124 1.00 0.00 C ATOM 1391 O GLU A 89 -3.700 -10.965 5.940 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.971 -9.176 5.274 1.00 0.00 C ATOM 1393 CG GLU A 89 0.204 -9.757 6.043 1.00 0.00 C ATOM 1394 CD GLU A 89 1.521 -9.589 5.310 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.586 -9.952 4.116 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.486 -9.095 5.929 1.00 0.00 O ATOM 0 H GLU A 89 -1.290 -9.256 2.831 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.452 -11.225 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.595 -8.490 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.587 -8.590 5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.271 -9.273 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.026 -10.817 6.225 1.00 0.00 H new ATOM 1403 N ALA A 90 -4.014 -9.150 4.649 1.00 0.00 N ATOM 1404 CA ALA A 90 -5.396 -8.954 5.069 1.00 0.00 C ATOM 1405 C ALA A 90 -6.249 -10.172 4.734 1.00 0.00 C ATOM 1406 O ALA A 90 -7.057 -10.620 5.548 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.973 -7.707 4.417 1.00 0.00 C ATOM 0 H ALA A 90 -3.678 -8.464 3.973 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.407 -8.823 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.006 -7.573 4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.385 -6.838 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.943 -7.816 3.333 1.00 0.00 H new