USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 652 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 71 MET CE :methyl 139:sc= -1.28 (180deg=-0.131) USER MOD Set 1.2: A 87 CYS SG : rot -60:sc= -1.64 USER MOD Set 2.1: A 45 GLN : amide:sc= -7.25! C(o=-9.5!,f=-7.1!) USER MOD Set 2.2: A 47 GLN : amide:sc= -2.3 K(o=-9.5,f=-17!) USER MOD Single : A 20 SER OG : rot 10:sc= -0.339 USER MOD Single : A 24 GLN : amide:sc= -12.5! C(o=-12!,f=-12!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0506 USER MOD Single : A 39 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.028) USER MOD Single : A 50 ASN : amide:sc= -0.725! K(o=-0.73!,f=-1.6) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.608 USER MOD Single : A 74 SER OG : rot 180:sc= -0.204 USER MOD Single : A 88 GLN : amide:sc= -5.63! K(o=-5.6!,f=-1.2) USER MOD Single : A 89 HIS : no HD1:sc= -3.72! C(o=-3.7!,f=-5.5!) USER MOD Single : A 94 SER OG : rot 60:sc= -0.12 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 235 N ILE A 14 107.445 4.139 -2.669 1.00 0.00 N ATOM 236 CA ILE A 14 106.902 4.208 -4.021 1.00 0.00 C ATOM 237 C ILE A 14 105.432 4.600 -4.000 1.00 0.00 C ATOM 238 O ILE A 14 104.564 3.784 -3.689 1.00 0.00 O ATOM 239 CB ILE A 14 107.055 2.853 -4.714 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.520 2.645 -5.115 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.173 2.803 -5.967 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.360 2.332 -3.873 1.00 0.00 C ATOM 0 HA ILE A 14 107.458 4.968 -4.570 1.00 0.00 H new ATOM 0 HB ILE A 14 106.747 2.065 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.597 1.828 -5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.902 3.539 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.288 1.835 -6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.130 2.945 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.473 3.593 -6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.400 2.185 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.294 3.163 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 14 108.985 1.425 -3.399 1.00 0.00 H new ATOM 254 N ALA A 15 105.159 5.849 -4.352 1.00 0.00 N ATOM 255 CA ALA A 15 103.787 6.334 -4.388 1.00 0.00 C ATOM 256 C ALA A 15 103.216 6.222 -5.792 1.00 0.00 C ATOM 257 O ALA A 15 103.718 6.836 -6.734 1.00 0.00 O ATOM 258 CB ALA A 15 103.738 7.798 -3.952 1.00 0.00 C ATOM 0 H ALA A 15 105.863 6.539 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 15 103.194 5.723 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.708 8.152 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.123 7.888 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.348 8.399 -4.626 1.00 0.00 H new ATOM 264 N PHE A 16 102.140 5.460 -5.909 1.00 0.00 N ATOM 265 CA PHE A 16 101.454 5.288 -7.178 1.00 0.00 C ATOM 266 C PHE A 16 99.980 5.041 -6.900 1.00 0.00 C ATOM 267 O PHE A 16 99.621 4.622 -5.799 1.00 0.00 O ATOM 268 CB PHE A 16 102.066 4.135 -7.980 1.00 0.00 C ATOM 269 CG PHE A 16 101.691 2.804 -7.368 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.053 2.509 -6.049 1.00 0.00 C ATOM 271 CD2 PHE A 16 100.990 1.860 -8.129 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.713 1.272 -5.492 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.653 0.623 -7.572 1.00 0.00 C ATOM 274 CZ PHE A 16 101.014 0.328 -6.254 1.00 0.00 C ATOM 0 H PHE A 16 101.721 4.947 -5.133 1.00 0.00 H new ATOM 0 HA PHE A 16 101.565 6.189 -7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.718 4.178 -9.012 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.151 4.237 -8.005 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.594 3.236 -5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.710 2.088 -9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 16 101.990 1.045 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.114 -0.105 -8.160 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.754 -0.628 -5.824 1.00 0.00 H new ATOM 284 N ASP A 17 99.120 5.301 -7.874 1.00 0.00 N ATOM 285 CA ASP A 17 97.690 5.097 -7.663 1.00 0.00 C ATOM 286 C ASP A 17 97.256 3.730 -8.183 1.00 0.00 C ATOM 287 O ASP A 17 97.740 3.264 -9.214 1.00 0.00 O ATOM 288 CB ASP A 17 96.897 6.192 -8.377 1.00 0.00 C ATOM 289 CG ASP A 17 97.597 7.536 -8.206 1.00 0.00 C ATOM 290 OD1 ASP A 17 98.129 7.772 -7.134 1.00 0.00 O ATOM 291 OD2 ASP A 17 97.592 8.309 -9.150 1.00 0.00 O ATOM 0 H ASP A 17 99.377 5.646 -8.799 1.00 0.00 H new ATOM 0 HA ASP A 17 97.492 5.142 -6.592 1.00 0.00 H new ATOM 0 HB2 ASP A 17 96.803 5.953 -9.436 1.00 0.00 H new ATOM 0 HB3 ASP A 17 95.887 6.244 -7.972 1.00 0.00 H new ATOM 296 N ALA A 18 96.325 3.105 -7.471 1.00 0.00 N ATOM 297 CA ALA A 18 95.810 1.801 -7.872 1.00 0.00 C ATOM 298 C ALA A 18 94.699 1.374 -6.921 1.00 0.00 C ATOM 299 O ALA A 18 94.416 2.059 -5.939 1.00 0.00 O ATOM 300 CB ALA A 18 96.925 0.751 -7.886 1.00 0.00 C ATOM 0 H ALA A 18 95.913 3.479 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 18 95.410 1.882 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.514 -0.212 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.700 1.052 -8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.356 0.665 -6.889 1.00 0.00 H new ATOM 306 N ASP A 19 94.066 0.248 -7.219 1.00 0.00 N ATOM 307 CA ASP A 19 92.981 -0.241 -6.375 1.00 0.00 C ATOM 308 C ASP A 19 93.484 -1.275 -5.379 1.00 0.00 C ATOM 309 O ASP A 19 94.212 -2.197 -5.744 1.00 0.00 O ATOM 310 CB ASP A 19 91.885 -0.859 -7.243 1.00 0.00 C ATOM 311 CG ASP A 19 90.773 -1.417 -6.360 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.093 -0.626 -5.729 1.00 0.00 O ATOM 313 OD2 ASP A 19 90.621 -2.627 -6.329 1.00 0.00 O ATOM 0 H ASP A 19 94.279 -0.338 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 19 92.577 0.605 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.480 -0.108 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.304 -1.654 -7.861 1.00 0.00 H new ATOM 318 N SER A 20 93.071 -1.131 -4.123 1.00 0.00 N ATOM 319 CA SER A 20 93.464 -2.079 -3.090 1.00 0.00 C ATOM 320 C SER A 20 92.248 -2.484 -2.263 1.00 0.00 C ATOM 321 O SER A 20 91.290 -1.724 -2.132 1.00 0.00 O ATOM 322 CB SER A 20 94.529 -1.468 -2.184 1.00 0.00 C ATOM 323 OG SER A 20 94.133 -0.155 -1.814 1.00 0.00 O ATOM 0 H SER A 20 92.470 -0.373 -3.800 1.00 0.00 H new ATOM 0 HA SER A 20 93.880 -2.965 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.663 -2.084 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.489 -1.439 -2.700 1.00 0.00 H new ATOM 0 HG SER A 20 93.205 -0.004 -2.089 1.00 0.00 H new ATOM 329 N GLU A 21 92.298 -3.685 -1.707 1.00 0.00 N ATOM 330 CA GLU A 21 91.204 -4.198 -0.886 1.00 0.00 C ATOM 331 C GLU A 21 91.763 -4.751 0.406 1.00 0.00 C ATOM 332 O GLU A 21 92.777 -5.446 0.402 1.00 0.00 O ATOM 333 CB GLU A 21 90.458 -5.316 -1.626 1.00 0.00 C ATOM 334 CG GLU A 21 89.826 -4.775 -2.921 1.00 0.00 C ATOM 335 CD GLU A 21 88.309 -4.657 -2.775 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.834 -4.673 -1.651 1.00 0.00 O ATOM 337 OE2 GLU A 21 87.644 -4.555 -3.792 1.00 0.00 O ATOM 0 H GLU A 21 93.085 -4.326 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 21 90.511 -3.383 -0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.147 -6.127 -1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.683 -5.733 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.250 -3.799 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.066 -5.438 -3.753 1.00 0.00 H new ATOM 344 N ILE A 22 91.103 -4.448 1.514 1.00 0.00 N ATOM 345 CA ILE A 22 91.571 -4.939 2.803 1.00 0.00 C ATOM 346 C ILE A 22 90.530 -5.853 3.430 1.00 0.00 C ATOM 347 O ILE A 22 89.348 -5.557 3.433 1.00 0.00 O ATOM 348 CB ILE A 22 91.869 -3.763 3.726 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.020 -2.912 3.136 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.234 -4.294 5.117 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.302 -3.060 3.965 1.00 0.00 C ATOM 0 H ILE A 22 90.259 -3.877 1.549 1.00 0.00 H new ATOM 0 HA ILE A 22 92.486 -5.512 2.653 1.00 0.00 H new ATOM 0 HB ILE A 22 90.989 -3.127 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.212 -3.218 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.722 -1.864 3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.448 -3.457 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.400 -4.870 5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.114 -4.933 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.092 -2.451 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.115 -2.730 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.612 -4.105 3.973 1.00 0.00 H new ATOM 363 N LEU A 23 90.999 -6.971 3.957 1.00 0.00 N ATOM 364 CA LEU A 23 90.129 -7.961 4.584 1.00 0.00 C ATOM 365 C LEU A 23 90.659 -8.356 5.946 1.00 0.00 C ATOM 366 O LEU A 23 91.786 -8.832 6.085 1.00 0.00 O ATOM 367 CB LEU A 23 90.044 -9.222 3.703 1.00 0.00 C ATOM 368 CG LEU A 23 91.150 -9.188 2.652 1.00 0.00 C ATOM 369 CD1 LEU A 23 91.568 -10.616 2.293 1.00 0.00 C ATOM 370 CD2 LEU A 23 90.645 -8.471 1.393 1.00 0.00 C ATOM 0 H LEU A 23 91.988 -7.221 3.964 1.00 0.00 H new ATOM 0 HA LEU A 23 89.140 -7.516 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 23 90.142 -10.116 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.069 -9.274 3.218 1.00 0.00 H new ATOM 0 HG LEU A 23 92.009 -8.651 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.358 -10.586 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 23 91.935 -11.123 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 23 90.710 -11.157 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 23 91.437 -8.448 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 23 89.782 -9.003 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 90.356 -7.451 1.646 1.00 0.00 H new ATOM 382 N GLN A 24 89.818 -8.167 6.940 1.00 0.00 N ATOM 383 CA GLN A 24 90.169 -8.515 8.312 1.00 0.00 C ATOM 384 C GLN A 24 89.126 -9.465 8.887 1.00 0.00 C ATOM 385 O GLN A 24 88.033 -9.041 9.263 1.00 0.00 O ATOM 386 CB GLN A 24 90.232 -7.247 9.170 1.00 0.00 C ATOM 387 CG GLN A 24 90.302 -7.626 10.651 1.00 0.00 C ATOM 388 CD GLN A 24 90.725 -6.419 11.480 1.00 0.00 C ATOM 389 OE1 GLN A 24 91.913 -6.109 11.565 1.00 0.00 O ATOM 390 NE2 GLN A 24 89.819 -5.712 12.099 1.00 0.00 N ATOM 0 H GLN A 24 88.883 -7.774 6.830 1.00 0.00 H new ATOM 0 HA GLN A 24 91.144 -9.003 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 24 91.104 -6.654 8.895 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.354 -6.628 8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.330 -7.987 10.989 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.011 -8.441 10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 24 88.835 -5.970 12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 24 90.095 -4.902 12.654 1.00 0.00 H new ATOM 399 N GLY A 25 89.454 -10.753 8.934 1.00 0.00 N ATOM 400 CA GLY A 25 88.517 -11.742 9.445 1.00 0.00 C ATOM 401 C GLY A 25 87.528 -12.136 8.356 1.00 0.00 C ATOM 402 O GLY A 25 87.924 -12.550 7.266 1.00 0.00 O ATOM 0 H GLY A 25 90.351 -11.131 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 25 89.058 -12.622 9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.982 -11.338 10.304 1.00 0.00 H new ATOM 406 N GLU A 26 86.245 -11.993 8.653 1.00 0.00 N ATOM 407 CA GLU A 26 85.199 -12.326 7.693 1.00 0.00 C ATOM 408 C GLU A 26 84.672 -11.059 7.028 1.00 0.00 C ATOM 409 O GLU A 26 83.642 -11.083 6.354 1.00 0.00 O ATOM 410 CB GLU A 26 84.048 -13.038 8.407 1.00 0.00 C ATOM 411 CG GLU A 26 83.468 -12.121 9.488 1.00 0.00 C ATOM 412 CD GLU A 26 82.673 -12.943 10.499 1.00 0.00 C ATOM 413 OE1 GLU A 26 83.295 -13.592 11.324 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.455 -12.910 10.434 1.00 0.00 O ATOM 0 H GLU A 26 85.902 -11.649 9.550 1.00 0.00 H new ATOM 0 HA GLU A 26 85.620 -12.983 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.273 -13.307 7.690 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.403 -13.966 8.855 1.00 0.00 H new ATOM 0 HG2 GLU A 26 84.273 -11.587 9.994 1.00 0.00 H new ATOM 0 HG3 GLU A 26 82.824 -11.369 9.032 1.00 0.00 H new ATOM 421 N ARG A 27 85.369 -9.945 7.248 1.00 0.00 N ATOM 422 CA ARG A 27 84.946 -8.663 6.692 1.00 0.00 C ATOM 423 C ARG A 27 85.911 -8.145 5.633 1.00 0.00 C ATOM 424 O ARG A 27 87.126 -8.138 5.830 1.00 0.00 O ATOM 425 CB ARG A 27 84.866 -7.634 7.812 1.00 0.00 C ATOM 426 CG ARG A 27 83.974 -8.161 8.943 1.00 0.00 C ATOM 427 CD ARG A 27 84.629 -7.833 10.278 1.00 0.00 C ATOM 428 NE ARG A 27 83.710 -8.100 11.379 1.00 0.00 N ATOM 429 CZ ARG A 27 84.122 -8.056 12.644 1.00 0.00 C ATOM 430 NH1 ARG A 27 85.364 -7.757 12.914 1.00 0.00 N ATOM 431 NH2 ARG A 27 83.285 -8.308 13.612 1.00 0.00 N ATOM 0 H ARG A 27 86.223 -9.905 7.804 1.00 0.00 H new ATOM 0 HA ARG A 27 83.975 -8.816 6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.864 -7.421 8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.465 -6.696 7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.985 -7.707 8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.836 -9.238 8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.535 -8.427 10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.930 -6.786 10.294 1.00 0.00 H new ATOM 0 HE ARG A 27 82.736 -8.324 11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.017 -7.558 12.156 1.00 0.00 H new ATOM 0 HH12 ARG A 27 85.681 -7.723 13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 27 82.314 -8.539 13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 27 83.601 -8.274 14.581 1.00 0.00 H new ATOM 445 N ARG A 28 85.352 -7.698 4.519 1.00 0.00 N ATOM 446 CA ARG A 28 86.150 -7.154 3.419 1.00 0.00 C ATOM 447 C ARG A 28 85.620 -5.789 3.004 1.00 0.00 C ATOM 448 O ARG A 28 84.443 -5.478 3.191 1.00 0.00 O ATOM 449 CB ARG A 28 86.125 -8.103 2.214 1.00 0.00 C ATOM 450 CG ARG A 28 86.774 -7.412 1.008 1.00 0.00 C ATOM 451 CD ARG A 28 87.179 -8.454 -0.039 1.00 0.00 C ATOM 452 NE ARG A 28 88.036 -7.846 -1.052 1.00 0.00 N ATOM 453 CZ ARG A 28 88.486 -8.553 -2.085 1.00 0.00 C ATOM 454 NH1 ARG A 28 88.157 -9.809 -2.207 1.00 0.00 N ATOM 455 NH2 ARG A 28 89.256 -7.989 -2.975 1.00 0.00 N ATOM 0 H ARG A 28 84.346 -7.699 4.348 1.00 0.00 H new ATOM 0 HA ARG A 28 87.178 -7.048 3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.659 -9.023 2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 28 85.098 -8.382 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 28 86.078 -6.697 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.650 -6.848 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 28 87.703 -9.279 0.443 1.00 0.00 H new ATOM 0 HD3 ARG A 28 86.289 -8.872 -0.509 1.00 0.00 H new ATOM 0 HE ARG A 28 88.294 -6.863 -0.966 1.00 0.00 H new ATOM 0 HH11 ARG A 28 87.555 -10.248 -1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 28 88.502 -10.352 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.512 -7.007 -2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 28 89.601 -8.531 -3.767 1.00 0.00 H new ATOM 469 N TRP A 29 86.512 -4.978 2.465 1.00 0.00 N ATOM 470 CA TRP A 29 86.175 -3.630 2.041 1.00 0.00 C ATOM 471 C TRP A 29 87.064 -3.191 0.884 1.00 0.00 C ATOM 472 O TRP A 29 88.168 -3.705 0.707 1.00 0.00 O ATOM 473 CB TRP A 29 86.387 -2.673 3.207 1.00 0.00 C ATOM 474 CG TRP A 29 85.561 -3.089 4.377 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.214 -3.013 4.455 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.015 -3.637 5.645 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.813 -3.474 5.697 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.889 -3.872 6.467 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.287 -3.948 6.157 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.020 -4.396 7.752 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.423 -4.478 7.450 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.292 -4.701 8.247 1.00 0.00 C ATOM 0 H TRP A 29 87.487 -5.233 2.309 1.00 0.00 H new ATOM 0 HA TRP A 29 85.135 -3.617 1.716 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.441 -2.656 3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.120 -1.660 2.907 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.558 -2.652 3.676 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.842 -3.515 6.006 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.165 -3.778 5.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.145 -4.565 8.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.405 -4.715 7.833 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.402 -5.108 9.241 1.00 0.00 H new ATOM 493 N GLU A 30 86.581 -2.227 0.108 1.00 0.00 N ATOM 494 CA GLU A 30 87.346 -1.711 -1.018 1.00 0.00 C ATOM 495 C GLU A 30 88.017 -0.399 -0.623 1.00 0.00 C ATOM 496 O GLU A 30 87.392 0.449 0.014 1.00 0.00 O ATOM 497 CB GLU A 30 86.415 -1.476 -2.215 1.00 0.00 C ATOM 498 CG GLU A 30 85.283 -2.508 -2.195 1.00 0.00 C ATOM 499 CD GLU A 30 84.213 -2.093 -1.190 1.00 0.00 C ATOM 500 OE1 GLU A 30 83.875 -0.920 -1.164 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.747 -2.952 -0.461 1.00 0.00 O ATOM 0 H GLU A 30 85.669 -1.790 0.238 1.00 0.00 H new ATOM 0 HA GLU A 30 88.110 -2.437 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 30 86.003 -0.468 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.976 -1.555 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 30 84.844 -2.597 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 30 85.679 -3.489 -1.932 1.00 0.00 H new ATOM 508 N VAL A 31 89.281 -0.230 -0.986 1.00 0.00 N ATOM 509 CA VAL A 31 90.001 0.991 -0.638 1.00 0.00 C ATOM 510 C VAL A 31 90.980 1.379 -1.737 1.00 0.00 C ATOM 511 O VAL A 31 91.431 0.536 -2.512 1.00 0.00 O ATOM 512 CB VAL A 31 90.765 0.786 0.672 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.771 0.574 1.814 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.671 -0.443 0.555 1.00 0.00 C ATOM 0 H VAL A 31 89.825 -0.912 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 31 89.273 1.794 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 31 91.374 1.667 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.315 0.428 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.127 1.449 1.903 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.162 -0.306 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.213 -0.586 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.064 -1.325 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.382 -0.295 -0.258 1.00 0.00 H new ATOM 524 N LEU A 32 91.323 2.660 -1.779 1.00 0.00 N ATOM 525 CA LEU A 32 92.271 3.164 -2.763 1.00 0.00 C ATOM 526 C LEU A 32 93.645 3.243 -2.111 1.00 0.00 C ATOM 527 O LEU A 32 93.789 3.801 -1.022 1.00 0.00 O ATOM 528 CB LEU A 32 91.819 4.553 -3.244 1.00 0.00 C ATOM 529 CG LEU A 32 92.986 5.323 -3.879 1.00 0.00 C ATOM 530 CD1 LEU A 32 93.568 4.524 -5.053 1.00 0.00 C ATOM 531 CD2 LEU A 32 92.472 6.674 -4.384 1.00 0.00 C ATOM 0 H LEU A 32 90.958 3.369 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 32 92.318 2.500 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 32 91.012 4.446 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.419 5.120 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 32 93.768 5.476 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 94.395 5.079 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 32 93.929 3.560 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 92.794 4.365 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 32 93.293 7.229 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 32 91.691 6.512 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 32 92.066 7.244 -3.548 1.00 0.00 H new ATOM 543 N LEU A 33 94.653 2.685 -2.767 1.00 0.00 N ATOM 544 CA LEU A 33 95.999 2.709 -2.214 1.00 0.00 C ATOM 545 C LEU A 33 96.735 3.953 -2.684 1.00 0.00 C ATOM 546 O LEU A 33 96.839 4.217 -3.882 1.00 0.00 O ATOM 547 CB LEU A 33 96.767 1.448 -2.632 1.00 0.00 C ATOM 548 CG LEU A 33 98.255 1.560 -2.235 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.642 0.373 -1.349 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.125 1.549 -3.497 1.00 0.00 C ATOM 0 H LEU A 33 94.567 2.217 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 33 95.931 2.731 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.324 0.572 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.682 1.305 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 33 98.411 2.490 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.693 0.454 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.027 0.375 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.483 -0.556 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.175 1.628 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.964 0.619 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.855 2.393 -4.132 1.00 0.00 H new ATOM 562 N HIS A 34 97.223 4.720 -1.723 1.00 0.00 N ATOM 563 CA HIS A 34 97.929 5.954 -2.025 1.00 0.00 C ATOM 564 C HIS A 34 99.433 5.716 -2.169 1.00 0.00 C ATOM 565 O HIS A 34 100.082 6.379 -2.977 1.00 0.00 O ATOM 566 CB HIS A 34 97.633 6.976 -0.936 1.00 0.00 C ATOM 567 CG HIS A 34 96.249 7.528 -1.139 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.000 8.637 -1.931 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.024 7.126 -0.663 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.673 8.863 -1.910 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.032 7.971 -1.151 1.00 0.00 N ATOM 0 H HIS A 34 97.143 4.510 -0.728 1.00 0.00 H new ATOM 0 HA HIS A 34 97.579 6.339 -2.983 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.712 6.511 0.047 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.367 7.781 -0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.857 6.283 -0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.187 9.667 -2.442 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.030 7.920 -0.968 1.00 0.00 H new ATOM 579 N ASP A 35 99.989 4.752 -1.443 1.00 0.00 N ATOM 580 CA ASP A 35 101.417 4.460 -1.600 1.00 0.00 C ATOM 581 C ASP A 35 101.802 3.190 -0.856 1.00 0.00 C ATOM 582 O ASP A 35 101.067 2.714 0.009 1.00 0.00 O ATOM 583 CB ASP A 35 102.279 5.639 -1.132 1.00 0.00 C ATOM 584 CG ASP A 35 102.254 5.726 0.391 1.00 0.00 C ATOM 585 OD1 ASP A 35 102.796 4.836 1.025 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.692 6.682 0.901 1.00 0.00 O ATOM 0 H ASP A 35 99.497 4.175 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 35 101.604 4.303 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.304 5.513 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 35 101.907 6.568 -1.564 1.00 0.00 H new ATOM 591 N VAL A 36 102.953 2.630 -1.225 1.00 0.00 N ATOM 592 CA VAL A 36 103.424 1.393 -0.614 1.00 0.00 C ATOM 593 C VAL A 36 104.946 1.363 -0.526 1.00 0.00 C ATOM 594 O VAL A 36 105.635 2.181 -1.137 1.00 0.00 O ATOM 595 CB VAL A 36 102.929 0.199 -1.445 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.760 0.080 -2.725 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.062 -1.097 -0.643 1.00 0.00 C ATOM 0 H VAL A 36 103.572 3.012 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 36 103.027 1.335 0.400 1.00 0.00 H new ATOM 0 HB VAL A 36 101.881 0.362 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.406 -0.768 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.659 0.994 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.808 -0.071 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.708 -1.935 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.108 -1.256 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.466 -1.025 0.266 1.00 0.00 H new ATOM 607 N SER A 37 105.459 0.385 0.215 1.00 0.00 N ATOM 608 CA SER A 37 106.893 0.193 0.371 1.00 0.00 C ATOM 609 C SER A 37 107.173 -1.305 0.337 1.00 0.00 C ATOM 610 O SER A 37 106.240 -2.108 0.335 1.00 0.00 O ATOM 611 CB SER A 37 107.380 0.781 1.696 1.00 0.00 C ATOM 612 OG SER A 37 108.801 0.789 1.713 1.00 0.00 O ATOM 0 H SER A 37 104.892 -0.294 0.722 1.00 0.00 H new ATOM 0 HA SER A 37 107.421 0.703 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.998 1.794 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 37 106.998 0.192 2.530 1.00 0.00 H new ATOM 0 HG SER A 37 109.116 1.167 2.561 1.00 0.00 H new ATOM 618 N LEU A 38 108.439 -1.691 0.296 1.00 0.00 N ATOM 619 CA LEU A 38 108.770 -3.110 0.242 1.00 0.00 C ATOM 620 C LEU A 38 108.409 -3.812 1.552 1.00 0.00 C ATOM 621 O LEU A 38 108.632 -5.013 1.698 1.00 0.00 O ATOM 622 CB LEU A 38 110.261 -3.296 -0.060 1.00 0.00 C ATOM 623 CG LEU A 38 110.499 -4.682 -0.679 1.00 0.00 C ATOM 624 CD1 LEU A 38 110.307 -4.612 -2.197 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.927 -5.142 -0.372 1.00 0.00 C ATOM 0 H LEU A 38 109.240 -1.059 0.299 1.00 0.00 H new ATOM 0 HA LEU A 38 108.184 -3.562 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.602 -2.519 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.842 -3.192 0.856 1.00 0.00 H new ATOM 0 HG LEU A 38 109.786 -5.389 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 38 110.477 -5.597 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 38 109.291 -4.287 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 38 111.017 -3.901 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.095 -6.125 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.637 -4.430 -0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 38 112.067 -5.198 0.708 1.00 0.00 H new ATOM 637 N HIS A 39 107.855 -3.066 2.503 1.00 0.00 N ATOM 638 CA HIS A 39 107.479 -3.656 3.786 1.00 0.00 C ATOM 639 C HIS A 39 106.464 -2.779 4.520 1.00 0.00 C ATOM 640 O HIS A 39 106.480 -2.689 5.748 1.00 0.00 O ATOM 641 CB HIS A 39 108.729 -3.854 4.654 1.00 0.00 C ATOM 642 CG HIS A 39 109.724 -2.761 4.367 1.00 0.00 C ATOM 643 ND1 HIS A 39 110.967 -3.022 3.811 1.00 0.00 N ATOM 644 CD2 HIS A 39 109.677 -1.402 4.557 1.00 0.00 C ATOM 645 CE1 HIS A 39 111.612 -1.848 3.686 1.00 0.00 C ATOM 646 NE2 HIS A 39 110.871 -0.828 4.126 1.00 0.00 N ATOM 0 H HIS A 39 107.659 -2.069 2.414 1.00 0.00 H new ATOM 0 HA HIS A 39 107.014 -4.623 3.595 1.00 0.00 H new ATOM 0 HB2 HIS A 39 108.456 -3.843 5.709 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.175 -4.828 4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 39 108.842 -0.861 4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 39 112.607 -1.743 3.280 1.00 0.00 H new ATOM 0 HE2 HIS A 39 111.125 0.160 4.143 1.00 0.00 H new ATOM 654 N GLY A 40 105.577 -2.141 3.764 1.00 0.00 N ATOM 655 CA GLY A 40 104.559 -1.283 4.365 1.00 0.00 C ATOM 656 C GLY A 40 103.576 -0.784 3.312 1.00 0.00 C ATOM 657 O GLY A 40 103.873 -0.814 2.122 1.00 0.00 O ATOM 0 H GLY A 40 105.540 -2.199 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.022 -1.835 5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.036 -0.434 4.854 1.00 0.00 H new ATOM 661 N ILE A 41 102.394 -0.351 3.753 1.00 0.00 N ATOM 662 CA ILE A 41 101.364 0.123 2.826 1.00 0.00 C ATOM 663 C ILE A 41 100.501 1.223 3.448 1.00 0.00 C ATOM 664 O ILE A 41 100.254 1.241 4.653 1.00 0.00 O ATOM 665 CB ILE A 41 100.475 -1.065 2.390 1.00 0.00 C ATOM 666 CG1 ILE A 41 98.990 -0.675 2.421 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.700 -2.253 3.327 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.159 -1.790 1.786 1.00 0.00 C ATOM 0 H ILE A 41 102.127 -0.318 4.737 1.00 0.00 H new ATOM 0 HA ILE A 41 101.864 0.551 1.957 1.00 0.00 H new ATOM 0 HB ILE A 41 100.748 -1.339 1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.668 -0.507 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.837 0.260 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.071 -3.087 3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.747 -2.554 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.442 -1.966 4.347 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.104 -1.515 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.475 -1.936 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.304 -2.715 2.344 1.00 0.00 H new ATOM 680 N LEU A 42 100.028 2.123 2.581 1.00 0.00 N ATOM 681 CA LEU A 42 99.162 3.229 2.988 1.00 0.00 C ATOM 682 C LEU A 42 97.852 3.131 2.215 1.00 0.00 C ATOM 683 O LEU A 42 97.859 2.895 1.007 1.00 0.00 O ATOM 684 CB LEU A 42 99.836 4.574 2.673 1.00 0.00 C ATOM 685 CG LEU A 42 99.677 5.550 3.846 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.606 6.748 3.638 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.232 6.045 3.923 1.00 0.00 C ATOM 0 H LEU A 42 100.234 2.104 1.582 1.00 0.00 H new ATOM 0 HA LEU A 42 98.977 3.170 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.894 4.416 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.396 5.005 1.773 1.00 0.00 H new ATOM 0 HG LEU A 42 99.932 5.037 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.495 7.443 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.639 6.403 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.347 7.252 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 42 98.129 6.737 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.972 6.555 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.564 5.196 4.070 1.00 0.00 H new ATOM 699 N VAL A 43 96.731 3.298 2.903 1.00 0.00 N ATOM 700 CA VAL A 43 95.434 3.207 2.237 1.00 0.00 C ATOM 701 C VAL A 43 94.465 4.269 2.743 1.00 0.00 C ATOM 702 O VAL A 43 94.753 4.994 3.694 1.00 0.00 O ATOM 703 CB VAL A 43 94.828 1.819 2.455 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.759 0.752 1.876 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.644 1.574 3.955 1.00 0.00 C ATOM 0 H VAL A 43 96.689 3.494 3.903 1.00 0.00 H new ATOM 0 HA VAL A 43 95.599 3.376 1.173 1.00 0.00 H new ATOM 0 HB VAL A 43 93.862 1.765 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.324 -0.235 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.890 0.925 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.727 0.805 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.212 0.586 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.611 1.631 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.977 2.331 4.368 1.00 0.00 H new ATOM 715 N GLY A 44 93.298 4.317 2.113 1.00 0.00 N ATOM 716 CA GLY A 44 92.244 5.256 2.513 1.00 0.00 C ATOM 717 C GLY A 44 91.226 4.514 3.373 1.00 0.00 C ATOM 718 O GLY A 44 90.966 3.335 3.133 1.00 0.00 O ATOM 0 H GLY A 44 93.052 3.720 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.672 6.090 3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.759 5.677 1.632 1.00 0.00 H new ATOM 722 N GLN A 45 90.663 5.169 4.392 1.00 0.00 N ATOM 723 CA GLN A 45 89.711 4.481 5.261 1.00 0.00 C ATOM 724 C GLN A 45 88.288 4.528 4.691 1.00 0.00 C ATOM 725 O GLN A 45 87.743 5.611 4.480 1.00 0.00 O ATOM 726 CB GLN A 45 89.726 5.124 6.659 1.00 0.00 C ATOM 727 CG GLN A 45 88.890 6.411 6.681 1.00 0.00 C ATOM 728 CD GLN A 45 87.408 6.087 6.890 1.00 0.00 C ATOM 729 OE1 GLN A 45 86.543 6.804 6.390 1.00 0.00 O ATOM 730 NE2 GLN A 45 87.063 5.045 7.600 1.00 0.00 N ATOM 0 H GLN A 45 90.843 6.144 4.629 1.00 0.00 H new ATOM 0 HA GLN A 45 90.014 3.436 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 45 89.334 4.419 7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 45 90.753 5.348 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 45 89.241 7.065 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.021 6.952 5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.780 4.450 8.015 1.00 0.00 H new ATOM 0 HE22 GLN A 45 86.076 4.827 7.739 1.00 0.00 H new ATOM 739 N PRO A 46 87.666 3.408 4.451 1.00 0.00 N ATOM 740 CA PRO A 46 86.277 3.382 3.932 1.00 0.00 C ATOM 741 C PRO A 46 85.259 3.448 5.076 1.00 0.00 C ATOM 742 O PRO A 46 85.597 3.194 6.231 1.00 0.00 O ATOM 743 CB PRO A 46 86.219 2.051 3.196 1.00 0.00 C ATOM 744 CG PRO A 46 87.122 1.153 3.991 1.00 0.00 C ATOM 745 CD PRO A 46 88.198 2.054 4.624 1.00 0.00 C ATOM 0 HA PRO A 46 86.033 4.231 3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.202 1.661 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.561 2.150 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.560 0.622 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.578 0.398 3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.351 1.816 5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.161 1.936 4.128 1.00 0.00 H new ATOM 753 N GLN A 47 84.021 3.805 4.754 1.00 0.00 N ATOM 754 CA GLN A 47 82.974 3.914 5.772 1.00 0.00 C ATOM 755 C GLN A 47 82.639 2.555 6.395 1.00 0.00 C ATOM 756 O GLN A 47 82.397 2.461 7.598 1.00 0.00 O ATOM 757 CB GLN A 47 81.708 4.519 5.158 1.00 0.00 C ATOM 758 CG GLN A 47 82.091 5.596 4.140 1.00 0.00 C ATOM 759 CD GLN A 47 82.971 6.654 4.799 1.00 0.00 C ATOM 760 OE1 GLN A 47 84.069 6.349 5.267 1.00 0.00 O ATOM 761 NE2 GLN A 47 82.554 7.890 4.861 1.00 0.00 N ATOM 0 H GLN A 47 83.716 4.023 3.805 1.00 0.00 H new ATOM 0 HA GLN A 47 83.352 4.563 6.562 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.119 3.740 4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.083 4.950 5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.620 5.143 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 47 81.192 6.061 3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 47 81.645 8.142 4.473 1.00 0.00 H new ATOM 0 HE22 GLN A 47 83.138 8.604 5.297 1.00 0.00 H new ATOM 770 N ASP A 48 82.605 1.515 5.569 1.00 0.00 N ATOM 771 CA ASP A 48 82.272 0.170 6.046 1.00 0.00 C ATOM 772 C ASP A 48 83.405 -0.439 6.873 1.00 0.00 C ATOM 773 O ASP A 48 83.370 -1.624 7.207 1.00 0.00 O ATOM 774 CB ASP A 48 81.969 -0.738 4.851 1.00 0.00 C ATOM 775 CG ASP A 48 80.579 -0.434 4.300 1.00 0.00 C ATOM 776 OD1 ASP A 48 79.900 0.396 4.881 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.216 -1.036 3.303 1.00 0.00 O ATOM 0 H ASP A 48 82.802 1.573 4.570 1.00 0.00 H new ATOM 0 HA ASP A 48 81.396 0.254 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.718 -0.590 4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.028 -1.783 5.155 1.00 0.00 H new ATOM 782 N TRP A 49 84.409 0.367 7.186 1.00 0.00 N ATOM 783 CA TRP A 49 85.557 -0.106 7.962 1.00 0.00 C ATOM 784 C TRP A 49 85.152 -0.629 9.334 1.00 0.00 C ATOM 785 O TRP A 49 85.529 -0.053 10.352 1.00 0.00 O ATOM 786 CB TRP A 49 86.537 1.041 8.158 1.00 0.00 C ATOM 787 CG TRP A 49 87.812 0.537 8.759 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.123 0.577 10.072 1.00 0.00 C ATOM 789 CD2 TRP A 49 88.936 -0.064 8.084 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.395 0.042 10.249 1.00 0.00 N ATOM 791 CE2 TRP A 49 89.944 -0.358 9.039 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.171 -0.370 6.736 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.154 -0.942 8.639 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.376 -0.951 6.341 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.363 -1.229 7.286 1.00 0.00 C ATOM 0 H TRP A 49 84.457 1.350 6.918 1.00 0.00 H new ATOM 0 HA TRP A 49 86.010 -0.925 7.404 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.743 1.520 7.201 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.096 1.799 8.806 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.488 0.961 10.857 1.00 0.00 H new ATOM 0 HE1 TRP A 49 89.863 -0.045 11.151 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.413 -0.154 5.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 91.918 -1.168 9.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.545 -1.186 5.301 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.297 -1.670 6.970 1.00 0.00 H new ATOM 806 N ASN A 50 84.417 -1.732 9.376 1.00 0.00 N ATOM 807 CA ASN A 50 84.032 -2.303 10.664 1.00 0.00 C ATOM 808 C ASN A 50 85.059 -3.355 11.077 1.00 0.00 C ATOM 809 O ASN A 50 84.831 -4.553 10.919 1.00 0.00 O ATOM 810 CB ASN A 50 82.635 -2.925 10.591 1.00 0.00 C ATOM 811 CG ASN A 50 82.303 -3.617 11.909 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.581 -3.060 12.737 1.00 0.00 O ATOM 813 ND2 ASN A 50 82.790 -4.802 12.156 1.00 0.00 N ATOM 0 H ASN A 50 84.081 -2.240 8.558 1.00 0.00 H new ATOM 0 HA ASN A 50 84.005 -1.507 11.409 1.00 0.00 H new ATOM 0 HB2 ASN A 50 81.895 -2.153 10.379 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.590 -3.643 9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.573 -5.269 13.036 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.388 -5.261 11.469 1.00 0.00 H new ATOM 820 N GLY A 51 86.199 -2.895 11.592 1.00 0.00 N ATOM 821 CA GLY A 51 87.263 -3.806 12.007 1.00 0.00 C ATOM 822 C GLY A 51 87.989 -3.293 13.246 1.00 0.00 C ATOM 823 O GLY A 51 88.178 -2.088 13.417 1.00 0.00 O ATOM 0 H GLY A 51 86.408 -1.906 11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.841 -4.790 12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 51 87.976 -3.929 11.192 1.00 0.00 H new ATOM 827 N ASP A 52 88.389 -4.222 14.108 1.00 0.00 N ATOM 828 CA ASP A 52 89.093 -3.873 15.336 1.00 0.00 C ATOM 829 C ASP A 52 90.569 -3.567 15.050 1.00 0.00 C ATOM 830 O ASP A 52 91.284 -4.412 14.512 1.00 0.00 O ATOM 831 CB ASP A 52 88.994 -5.029 16.336 1.00 0.00 C ATOM 832 CG ASP A 52 89.186 -4.513 17.758 1.00 0.00 C ATOM 833 OD1 ASP A 52 88.472 -3.599 18.138 1.00 0.00 O ATOM 834 OD2 ASP A 52 90.044 -5.040 18.448 1.00 0.00 O ATOM 0 H ASP A 52 88.237 -5.222 13.979 1.00 0.00 H new ATOM 0 HA ASP A 52 88.628 -2.982 15.758 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.023 -5.515 16.246 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.749 -5.781 16.109 1.00 0.00 H new ATOM 839 N PRO A 53 91.038 -2.387 15.389 1.00 0.00 N ATOM 840 CA PRO A 53 92.458 -1.988 15.145 1.00 0.00 C ATOM 841 C PRO A 53 93.447 -2.886 15.874 1.00 0.00 C ATOM 842 O PRO A 53 94.611 -2.980 15.486 1.00 0.00 O ATOM 843 CB PRO A 53 92.542 -0.541 15.654 1.00 0.00 C ATOM 844 CG PRO A 53 91.362 -0.358 16.552 1.00 0.00 C ATOM 845 CD PRO A 53 90.279 -1.306 16.045 1.00 0.00 C ATOM 0 HA PRO A 53 92.723 -2.080 14.092 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.474 -0.369 16.193 1.00 0.00 H new ATOM 0 HB3 PRO A 53 92.517 0.167 14.826 1.00 0.00 H new ATOM 0 HG2 PRO A 53 91.623 -0.585 17.586 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.014 0.675 16.530 1.00 0.00 H new ATOM 0 HD2 PRO A 53 89.666 -1.686 16.862 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.606 -0.808 15.346 1.00 0.00 H new ATOM 853 N GLN A 54 92.989 -3.536 16.932 1.00 0.00 N ATOM 854 CA GLN A 54 93.865 -4.409 17.693 1.00 0.00 C ATOM 855 C GLN A 54 94.108 -5.721 16.954 1.00 0.00 C ATOM 856 O GLN A 54 95.114 -6.391 17.181 1.00 0.00 O ATOM 857 CB GLN A 54 93.262 -4.702 19.068 1.00 0.00 C ATOM 858 CG GLN A 54 92.982 -3.387 19.794 1.00 0.00 C ATOM 859 CD GLN A 54 92.809 -3.647 21.287 1.00 0.00 C ATOM 860 OE1 GLN A 54 93.694 -3.327 22.080 1.00 0.00 O ATOM 861 NE2 GLN A 54 91.715 -4.213 21.718 1.00 0.00 N ATOM 0 H GLN A 54 92.031 -3.477 17.278 1.00 0.00 H new ATOM 0 HA GLN A 54 94.819 -3.896 17.818 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.340 -5.272 18.958 1.00 0.00 H new ATOM 0 HB3 GLN A 54 93.947 -5.314 19.654 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.803 -2.689 19.630 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.083 -2.922 19.390 1.00 0.00 H new ATOM 0 HE21 GLN A 54 90.983 -4.477 21.058 1.00 0.00 H new ATOM 0 HE22 GLN A 54 91.592 -4.391 22.715 1.00 0.00 H new ATOM 870 N ARG A 55 93.185 -6.085 16.068 1.00 0.00 N ATOM 871 CA ARG A 55 93.325 -7.324 15.308 1.00 0.00 C ATOM 872 C ARG A 55 93.992 -7.040 13.960 1.00 0.00 C ATOM 873 O ARG A 55 93.883 -5.940 13.422 1.00 0.00 O ATOM 874 CB ARG A 55 91.952 -7.974 15.098 1.00 0.00 C ATOM 875 CG ARG A 55 91.606 -8.861 16.302 1.00 0.00 C ATOM 876 CD ARG A 55 91.693 -8.044 17.595 1.00 0.00 C ATOM 877 NE ARG A 55 93.050 -8.090 18.131 1.00 0.00 N ATOM 878 CZ ARG A 55 93.567 -9.221 18.599 1.00 0.00 C ATOM 879 NH1 ARG A 55 92.859 -10.317 18.585 1.00 0.00 N ATOM 880 NH2 ARG A 55 94.782 -9.236 19.073 1.00 0.00 N ATOM 0 H ARG A 55 92.343 -5.548 15.860 1.00 0.00 H new ATOM 0 HA ARG A 55 93.953 -8.014 15.871 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.191 -7.204 14.971 1.00 0.00 H new ATOM 0 HB3 ARG A 55 91.958 -8.570 14.185 1.00 0.00 H new ATOM 0 HG2 ARG A 55 90.602 -9.270 16.187 1.00 0.00 H new ATOM 0 HG3 ARG A 55 92.291 -9.707 16.350 1.00 0.00 H new ATOM 0 HD2 ARG A 55 91.406 -7.011 17.401 1.00 0.00 H new ATOM 0 HD3 ARG A 55 90.991 -8.437 18.330 1.00 0.00 H new ATOM 0 HE ARG A 55 93.611 -7.239 18.147 1.00 0.00 H new ATOM 0 HH11 ARG A 55 91.909 -10.306 18.215 1.00 0.00 H new ATOM 0 HH12 ARG A 55 93.256 -11.185 18.944 1.00 0.00 H new ATOM 0 HH21 ARG A 55 95.336 -8.379 19.085 1.00 0.00 H new ATOM 0 HH22 ARG A 55 95.179 -10.104 19.432 1.00 0.00 H new ATOM 894 N PRO A 56 94.695 -8.007 13.424 1.00 0.00 N ATOM 895 CA PRO A 56 95.422 -7.864 12.125 1.00 0.00 C ATOM 896 C PRO A 56 94.499 -7.629 10.933 1.00 0.00 C ATOM 897 O PRO A 56 93.303 -7.917 10.980 1.00 0.00 O ATOM 898 CB PRO A 56 96.193 -9.182 11.980 1.00 0.00 C ATOM 899 CG PRO A 56 95.472 -10.159 12.849 1.00 0.00 C ATOM 900 CD PRO A 56 94.876 -9.351 14.000 1.00 0.00 C ATOM 0 HA PRO A 56 96.067 -6.986 12.133 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.209 -9.516 10.943 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.230 -9.067 12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.691 -10.674 12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.153 -10.924 13.223 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.929 -9.773 14.338 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.542 -9.331 14.863 1.00 0.00 H new ATOM 908 N PHE A 57 95.090 -7.111 9.860 1.00 0.00 N ATOM 909 CA PHE A 57 94.367 -6.832 8.625 1.00 0.00 C ATOM 910 C PHE A 57 95.141 -7.422 7.445 1.00 0.00 C ATOM 911 O PHE A 57 96.355 -7.595 7.537 1.00 0.00 O ATOM 912 CB PHE A 57 94.256 -5.315 8.425 1.00 0.00 C ATOM 913 CG PHE A 57 93.490 -4.689 9.568 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.118 -4.470 10.800 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.150 -4.318 9.394 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.407 -3.882 11.854 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.440 -3.732 10.447 1.00 0.00 C ATOM 918 CZ PHE A 57 92.068 -3.515 11.677 1.00 0.00 C ATOM 0 H PHE A 57 96.081 -6.874 9.823 1.00 0.00 H new ATOM 0 HA PHE A 57 93.372 -7.273 8.684 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.252 -4.876 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.753 -5.102 7.482 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.151 -4.754 10.938 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.664 -4.485 8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 57 93.892 -3.712 12.804 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.407 -3.447 10.310 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.520 -3.064 12.491 1.00 0.00 H new ATOM 928 N GLU A 58 94.464 -7.705 6.332 1.00 0.00 N ATOM 929 CA GLU A 58 95.158 -8.244 5.153 1.00 0.00 C ATOM 930 C GLU A 58 94.900 -7.337 3.957 1.00 0.00 C ATOM 931 O GLU A 58 93.777 -6.877 3.765 1.00 0.00 O ATOM 932 CB GLU A 58 94.683 -9.669 4.847 1.00 0.00 C ATOM 933 CG GLU A 58 94.508 -10.452 6.156 1.00 0.00 C ATOM 934 CD GLU A 58 94.882 -11.916 5.946 1.00 0.00 C ATOM 935 OE1 GLU A 58 94.580 -12.439 4.885 1.00 0.00 O ATOM 936 OE2 GLU A 58 95.462 -12.494 6.850 1.00 0.00 O ATOM 0 H GLU A 58 93.459 -7.575 6.218 1.00 0.00 H new ATOM 0 HA GLU A 58 96.228 -8.281 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.739 -9.638 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.406 -10.173 4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.134 -10.017 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 58 93.476 -10.378 6.498 1.00 0.00 H new ATOM 943 N ALA A 59 95.935 -7.052 3.170 1.00 0.00 N ATOM 944 CA ALA A 59 95.788 -6.165 2.018 1.00 0.00 C ATOM 945 C ALA A 59 96.033 -6.894 0.705 1.00 0.00 C ATOM 946 O ALA A 59 97.007 -7.633 0.563 1.00 0.00 O ATOM 947 CB ALA A 59 96.801 -5.019 2.129 1.00 0.00 C ATOM 0 H ALA A 59 96.877 -7.419 3.307 1.00 0.00 H new ATOM 0 HA ALA A 59 94.765 -5.789 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.695 -4.355 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.618 -4.459 3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.811 -5.427 2.149 1.00 0.00 H new ATOM 953 N ARG A 60 95.162 -6.641 -0.264 1.00 0.00 N ATOM 954 CA ARG A 60 95.306 -7.232 -1.584 1.00 0.00 C ATOM 955 C ARG A 60 95.371 -6.111 -2.612 1.00 0.00 C ATOM 956 O ARG A 60 94.510 -5.231 -2.625 1.00 0.00 O ATOM 957 CB ARG A 60 94.102 -8.132 -1.889 1.00 0.00 C ATOM 958 CG ARG A 60 93.927 -9.177 -0.774 1.00 0.00 C ATOM 959 CD ARG A 60 94.543 -10.508 -1.207 1.00 0.00 C ATOM 960 NE ARG A 60 93.630 -11.217 -2.098 1.00 0.00 N ATOM 961 CZ ARG A 60 93.620 -12.544 -2.162 1.00 0.00 C ATOM 962 NH1 ARG A 60 94.433 -13.240 -1.415 1.00 0.00 N ATOM 963 NH2 ARG A 60 92.797 -13.154 -2.972 1.00 0.00 N ATOM 0 H ARG A 60 94.351 -6.032 -0.159 1.00 0.00 H new ATOM 0 HA ARG A 60 96.215 -7.833 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.199 -7.528 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.245 -8.632 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 60 94.403 -8.827 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 60 92.868 -9.311 -0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 60 95.492 -10.331 -1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.758 -11.120 -0.331 1.00 0.00 H new ATOM 0 HE ARG A 60 92.987 -10.683 -2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 60 95.076 -12.765 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG A 60 94.425 -14.259 -1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 60 92.161 -12.612 -3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 60 92.790 -14.173 -3.020 1.00 0.00 H new ATOM 977 N LEU A 61 96.396 -6.125 -3.455 1.00 0.00 N ATOM 978 CA LEU A 61 96.553 -5.074 -4.461 1.00 0.00 C ATOM 979 C LEU A 61 96.258 -5.605 -5.854 1.00 0.00 C ATOM 980 O LEU A 61 96.452 -6.788 -6.134 1.00 0.00 O ATOM 981 CB LEU A 61 97.980 -4.517 -4.421 1.00 0.00 C ATOM 982 CG LEU A 61 98.433 -4.340 -2.969 1.00 0.00 C ATOM 983 CD1 LEU A 61 99.911 -3.950 -2.942 1.00 0.00 C ATOM 984 CD2 LEU A 61 97.607 -3.236 -2.309 1.00 0.00 C ATOM 0 H LEU A 61 97.123 -6.840 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 61 95.843 -4.280 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.658 -5.193 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.021 -3.561 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 61 98.291 -5.275 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.235 -3.824 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.503 -4.734 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.050 -3.014 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 61 97.929 -3.109 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 61 97.750 -2.301 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 61 96.552 -3.509 -2.330 1.00 0.00 H new ATOM 996 N TYR A 62 95.790 -4.719 -6.728 1.00 0.00 N ATOM 997 CA TYR A 62 95.473 -5.105 -8.097 1.00 0.00 C ATOM 998 C TYR A 62 96.026 -4.083 -9.085 1.00 0.00 C ATOM 999 O TYR A 62 95.543 -2.946 -9.161 1.00 0.00 O ATOM 1000 CB TYR A 62 93.958 -5.220 -8.275 1.00 0.00 C ATOM 1001 CG TYR A 62 93.371 -6.004 -7.127 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.120 -5.371 -5.903 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.073 -7.362 -7.286 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.571 -6.096 -4.839 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.524 -8.088 -6.221 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.273 -7.455 -4.997 1.00 0.00 C ATOM 1007 OH TYR A 62 91.733 -8.171 -3.949 1.00 0.00 O ATOM 0 H TYR A 62 95.623 -3.736 -6.514 1.00 0.00 H new ATOM 0 HA TYR A 62 95.935 -6.072 -8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.510 -4.227 -8.317 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.729 -5.713 -9.220 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.350 -4.323 -5.780 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.266 -7.850 -8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.377 -5.607 -3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.294 -9.136 -6.344 1.00 0.00 H new ATOM 0 HH TYR A 62 91.586 -9.099 -4.228 1.00 0.00 H new ATOM 1017 N LEU A 63 97.040 -4.502 -9.840 1.00 0.00 N ATOM 1018 CA LEU A 63 97.670 -3.639 -10.839 1.00 0.00 C ATOM 1019 C LEU A 63 97.245 -4.079 -12.238 1.00 0.00 C ATOM 1020 O LEU A 63 96.318 -3.518 -12.821 1.00 0.00 O ATOM 1021 CB LEU A 63 99.198 -3.714 -10.698 1.00 0.00 C ATOM 1022 CG LEU A 63 99.831 -2.422 -11.224 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.356 -2.548 -11.188 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.376 -2.176 -12.666 1.00 0.00 C ATOM 0 H LEU A 63 97.444 -5.437 -9.779 1.00 0.00 H new ATOM 0 HA LEU A 63 97.352 -2.608 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.469 -3.864 -9.653 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.582 -4.570 -11.253 1.00 0.00 H new ATOM 0 HG LEU A 63 99.519 -1.587 -10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 63 101.806 -1.629 -11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.683 -2.721 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.667 -3.385 -11.813 1.00 0.00 H new ATOM 0 HD21 LEU A 63 99.828 -1.256 -13.038 1.00 0.00 H new ATOM 0 HD22 LEU A 63 99.686 -3.012 -13.293 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.290 -2.084 -12.694 1.00 0.00 H new ATOM 1036 N GLY A 64 97.913 -5.105 -12.761 1.00 0.00 N ATOM 1037 CA GLY A 64 97.577 -5.632 -14.079 1.00 0.00 C ATOM 1038 C GLY A 64 96.362 -6.539 -13.964 1.00 0.00 C ATOM 1039 O GLY A 64 95.800 -6.685 -12.879 1.00 0.00 O ATOM 0 H GLY A 64 98.684 -5.584 -12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.370 -4.813 -14.768 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.422 -6.187 -14.487 1.00 0.00 H new ATOM 1043 N LEU A 65 95.940 -7.144 -15.069 1.00 0.00 N ATOM 1044 CA LEU A 65 94.774 -8.016 -15.017 1.00 0.00 C ATOM 1045 C LEU A 65 95.137 -9.355 -14.384 1.00 0.00 C ATOM 1046 O LEU A 65 94.319 -9.967 -13.696 1.00 0.00 O ATOM 1047 CB LEU A 65 94.198 -8.234 -16.420 1.00 0.00 C ATOM 1048 CG LEU A 65 94.330 -6.948 -17.237 1.00 0.00 C ATOM 1049 CD1 LEU A 65 93.688 -7.149 -18.609 1.00 0.00 C ATOM 1050 CD2 LEU A 65 93.623 -5.804 -16.507 1.00 0.00 C ATOM 0 H LEU A 65 96.374 -7.051 -15.987 1.00 0.00 H new ATOM 0 HA LEU A 65 94.015 -7.532 -14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 65 94.725 -9.048 -16.918 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.150 -8.527 -16.352 1.00 0.00 H new ATOM 0 HG LEU A 65 95.385 -6.703 -17.361 1.00 0.00 H new ATOM 0 HD11 LEU A 65 93.782 -6.233 -19.192 1.00 0.00 H new ATOM 0 HD12 LEU A 65 94.191 -7.964 -19.130 1.00 0.00 H new ATOM 0 HD13 LEU A 65 92.633 -7.394 -18.485 1.00 0.00 H new ATOM 0 HD21 LEU A 65 93.717 -4.887 -17.089 1.00 0.00 H new ATOM 0 HD22 LEU A 65 92.568 -6.048 -16.383 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.080 -5.660 -15.528 1.00 0.00 H new ATOM 1062 N ASP A 66 96.368 -9.806 -14.613 1.00 0.00 N ATOM 1063 CA ASP A 66 96.856 -11.069 -14.071 1.00 0.00 C ATOM 1064 C ASP A 66 97.749 -10.830 -12.856 1.00 0.00 C ATOM 1065 O ASP A 66 98.398 -11.754 -12.366 1.00 0.00 O ATOM 1066 CB ASP A 66 97.697 -11.762 -15.146 1.00 0.00 C ATOM 1067 CG ASP A 66 96.791 -12.323 -16.237 1.00 0.00 C ATOM 1068 OD1 ASP A 66 95.691 -11.816 -16.385 1.00 0.00 O ATOM 1069 OD2 ASP A 66 97.210 -13.250 -16.909 1.00 0.00 O ATOM 0 H ASP A 66 97.054 -9.306 -15.179 1.00 0.00 H new ATOM 0 HA ASP A 66 96.002 -11.678 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 66 98.405 -11.054 -15.578 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.282 -12.566 -14.699 1.00 0.00 H new ATOM 1074 N VAL A 67 97.802 -9.584 -12.387 1.00 0.00 N ATOM 1075 CA VAL A 67 98.650 -9.249 -11.243 1.00 0.00 C ATOM 1076 C VAL A 67 97.838 -9.071 -9.968 1.00 0.00 C ATOM 1077 O VAL A 67 97.345 -7.982 -9.669 1.00 0.00 O ATOM 1078 CB VAL A 67 99.455 -7.972 -11.537 1.00 0.00 C ATOM 1079 CG1 VAL A 67 99.963 -7.352 -10.228 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.655 -8.323 -12.424 1.00 0.00 C ATOM 0 H VAL A 67 97.277 -8.800 -12.774 1.00 0.00 H new ATOM 0 HA VAL A 67 99.334 -10.083 -11.086 1.00 0.00 H new ATOM 0 HB VAL A 67 98.810 -7.256 -12.046 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.531 -6.449 -10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.115 -7.100 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.604 -8.066 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.228 -7.420 -12.635 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.290 -9.044 -11.909 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.301 -8.755 -13.360 1.00 0.00 H new ATOM 1090 N LEU A 68 97.739 -10.154 -9.207 1.00 0.00 N ATOM 1091 CA LEU A 68 97.031 -10.138 -7.938 1.00 0.00 C ATOM 1092 C LEU A 68 98.051 -10.361 -6.823 1.00 0.00 C ATOM 1093 O LEU A 68 98.706 -11.402 -6.772 1.00 0.00 O ATOM 1094 CB LEU A 68 95.962 -11.244 -7.932 1.00 0.00 C ATOM 1095 CG LEU A 68 95.642 -11.681 -6.500 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.150 -10.482 -5.688 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.545 -12.748 -6.533 1.00 0.00 C ATOM 0 H LEU A 68 98.143 -11.058 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 68 96.529 -9.182 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.056 -10.883 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.314 -12.100 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 68 96.542 -12.085 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 68 94.924 -10.800 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 68 95.925 -9.715 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.250 -10.075 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.313 -13.063 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.650 -12.335 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.890 -13.607 -7.109 1.00 0.00 H new ATOM 1109 N ILE A 69 98.199 -9.371 -5.947 1.00 0.00 N ATOM 1110 CA ILE A 69 99.167 -9.468 -4.854 1.00 0.00 C ATOM 1111 C ILE A 69 98.464 -9.561 -3.501 1.00 0.00 C ATOM 1112 O ILE A 69 97.428 -8.937 -3.283 1.00 0.00 O ATOM 1113 CB ILE A 69 100.096 -8.248 -4.894 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.009 -8.350 -6.134 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.954 -8.193 -3.619 1.00 0.00 C ATOM 1116 CD1 ILE A 69 100.969 -7.037 -6.921 1.00 0.00 C ATOM 0 H ILE A 69 97.668 -8.500 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 69 99.753 -10.378 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 69 99.497 -7.339 -4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.032 -8.568 -5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.684 -9.174 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.609 -7.323 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.305 -8.119 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.557 -9.098 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.616 -7.117 -7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 69 99.947 -6.837 -7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.316 -6.222 -6.286 1.00 0.00 H new ATOM 1128 N ARG A 70 99.054 -10.340 -2.593 1.00 0.00 N ATOM 1129 CA ARG A 70 98.499 -10.506 -1.250 1.00 0.00 C ATOM 1130 C ARG A 70 99.566 -10.235 -0.188 1.00 0.00 C ATOM 1131 O ARG A 70 100.674 -10.788 -0.239 1.00 0.00 O ATOM 1132 CB ARG A 70 97.939 -11.929 -1.082 1.00 0.00 C ATOM 1133 CG ARG A 70 97.856 -12.620 -2.449 1.00 0.00 C ATOM 1134 CD ARG A 70 97.372 -14.063 -2.274 1.00 0.00 C ATOM 1135 NE ARG A 70 96.767 -14.543 -3.512 1.00 0.00 N ATOM 1136 CZ ARG A 70 96.186 -15.736 -3.576 1.00 0.00 C ATOM 1137 NH1 ARG A 70 96.143 -16.496 -2.518 1.00 0.00 N ATOM 1138 NH2 ARG A 70 95.656 -16.145 -4.696 1.00 0.00 N ATOM 0 H ARG A 70 99.913 -10.864 -2.763 1.00 0.00 H new ATOM 0 HA ARG A 70 97.690 -9.787 -1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 70 98.578 -12.504 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 70 96.951 -11.889 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 70 97.174 -12.075 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 70 98.834 -12.611 -2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 70 98.209 -14.704 -1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 70 96.647 -14.116 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 70 96.791 -13.952 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 70 96.555 -16.175 -1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 70 95.697 -17.412 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 70 95.688 -15.549 -5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 70 95.210 -17.061 -4.745 1.00 0.00 H new ATOM 1152 N MET A 71 99.217 -9.392 0.781 1.00 0.00 N ATOM 1153 CA MET A 71 100.134 -9.052 1.863 1.00 0.00 C ATOM 1154 C MET A 71 99.378 -9.013 3.190 1.00 0.00 C ATOM 1155 O MET A 71 98.213 -8.624 3.240 1.00 0.00 O ATOM 1156 CB MET A 71 100.798 -7.679 1.616 1.00 0.00 C ATOM 1157 CG MET A 71 100.764 -7.298 0.123 1.00 0.00 C ATOM 1158 SD MET A 71 102.302 -6.447 -0.334 1.00 0.00 S ATOM 1159 CE MET A 71 102.115 -4.961 0.684 1.00 0.00 C ATOM 0 H MET A 71 98.308 -8.933 0.838 1.00 0.00 H new ATOM 0 HA MET A 71 100.911 -9.815 1.900 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.285 -6.915 2.200 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.831 -7.705 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 71 100.638 -8.193 -0.487 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.908 -6.653 -0.077 1.00 0.00 H new ATOM 0 HE1 MET A 71 103.075 -4.702 1.130 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.769 -4.135 0.062 1.00 0.00 H new ATOM 0 HE3 MET A 71 101.388 -5.150 1.474 1.00 0.00 H new ATOM 1169 N GLU A 72 100.059 -9.393 4.266 1.00 0.00 N ATOM 1170 CA GLU A 72 99.453 -9.371 5.594 1.00 0.00 C ATOM 1171 C GLU A 72 99.924 -8.105 6.292 1.00 0.00 C ATOM 1172 O GLU A 72 101.114 -7.791 6.239 1.00 0.00 O ATOM 1173 CB GLU A 72 99.885 -10.610 6.385 1.00 0.00 C ATOM 1174 CG GLU A 72 99.485 -10.464 7.857 1.00 0.00 C ATOM 1175 CD GLU A 72 97.991 -10.184 7.968 1.00 0.00 C ATOM 1176 OE1 GLU A 72 97.224 -10.939 7.396 1.00 0.00 O ATOM 1177 OE2 GLU A 72 97.637 -9.220 8.628 1.00 0.00 O ATOM 0 H GLU A 72 101.026 -9.718 4.246 1.00 0.00 H new ATOM 0 HA GLU A 72 98.365 -9.381 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.421 -11.501 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.964 -10.743 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.734 -11.375 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 72 100.050 -9.653 8.317 1.00 0.00 H new ATOM 1184 N ILE A 73 99.024 -7.350 6.910 1.00 0.00 N ATOM 1185 CA ILE A 73 99.452 -6.106 7.542 1.00 0.00 C ATOM 1186 C ILE A 73 98.716 -5.813 8.847 1.00 0.00 C ATOM 1187 O ILE A 73 97.606 -6.290 9.075 1.00 0.00 O ATOM 1188 CB ILE A 73 99.207 -4.964 6.557 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.722 -4.560 6.600 1.00 0.00 C ATOM 1190 CG2 ILE A 73 99.566 -5.439 5.144 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.366 -3.674 5.399 1.00 0.00 C ATOM 0 H ILE A 73 98.030 -7.564 6.987 1.00 0.00 H new ATOM 0 HA ILE A 73 100.508 -6.204 7.794 1.00 0.00 H new ATOM 0 HB ILE A 73 99.823 -4.106 6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.097 -5.453 6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.512 -4.026 7.527 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.394 -4.630 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 73 100.616 -5.731 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 73 98.944 -6.293 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.312 -3.400 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 73 97.977 -2.772 5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.556 -4.220 4.475 1.00 0.00 H new ATOM 1203 N SER A 74 99.355 -4.999 9.686 1.00 0.00 N ATOM 1204 CA SER A 74 98.781 -4.600 10.970 1.00 0.00 C ATOM 1205 C SER A 74 98.695 -3.075 11.054 1.00 0.00 C ATOM 1206 O SER A 74 99.437 -2.369 10.370 1.00 0.00 O ATOM 1207 CB SER A 74 99.645 -5.128 12.116 1.00 0.00 C ATOM 1208 OG SER A 74 99.945 -6.499 11.884 1.00 0.00 O ATOM 0 H SER A 74 100.275 -4.601 9.498 1.00 0.00 H new ATOM 0 HA SER A 74 97.779 -5.021 11.052 1.00 0.00 H new ATOM 0 HB2 SER A 74 100.566 -4.549 12.189 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.121 -5.014 13.065 1.00 0.00 H new ATOM 0 HG SER A 74 100.500 -6.841 12.616 1.00 0.00 H new ATOM 1214 N LEU A 75 97.785 -2.570 11.885 1.00 0.00 N ATOM 1215 CA LEU A 75 97.601 -1.127 12.036 1.00 0.00 C ATOM 1216 C LEU A 75 98.849 -0.484 12.629 1.00 0.00 C ATOM 1217 O LEU A 75 99.226 -0.770 13.766 1.00 0.00 O ATOM 1218 CB LEU A 75 96.412 -0.874 12.979 1.00 0.00 C ATOM 1219 CG LEU A 75 95.743 0.479 12.666 1.00 0.00 C ATOM 1220 CD1 LEU A 75 96.798 1.584 12.581 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.975 0.401 11.338 1.00 0.00 C ATOM 0 H LEU A 75 97.165 -3.137 12.463 1.00 0.00 H new ATOM 0 HA LEU A 75 97.413 -0.690 11.055 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.683 -1.678 12.876 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.754 -0.885 14.014 1.00 0.00 H new ATOM 0 HG LEU A 75 95.044 0.710 13.470 1.00 0.00 H new ATOM 0 HD11 LEU A 75 96.312 2.534 12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 75 97.324 1.659 13.533 1.00 0.00 H new ATOM 0 HD13 LEU A 75 97.510 1.347 11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.508 1.364 11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 75 95.666 0.152 10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 75 94.206 -0.368 11.407 1.00 0.00 H new ATOM 1233 N ALA A 76 99.461 0.422 11.868 1.00 0.00 N ATOM 1234 CA ALA A 76 100.634 1.140 12.349 1.00 0.00 C ATOM 1235 C ALA A 76 100.221 2.508 12.904 1.00 0.00 C ATOM 1236 O ALA A 76 100.692 2.936 13.958 1.00 0.00 O ATOM 1237 CB ALA A 76 101.669 1.274 11.233 1.00 0.00 C ATOM 0 H ALA A 76 99.165 0.673 10.925 1.00 0.00 H new ATOM 0 HA ALA A 76 101.095 0.575 13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.540 1.813 11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.972 0.282 10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.234 1.823 10.398 1.00 0.00 H new ATOM 1243 N TRP A 77 99.332 3.182 12.173 1.00 0.00 N ATOM 1244 CA TRP A 77 98.841 4.504 12.577 1.00 0.00 C ATOM 1245 C TRP A 77 97.682 4.932 11.673 1.00 0.00 C ATOM 1246 O TRP A 77 97.452 4.331 10.625 1.00 0.00 O ATOM 1247 CB TRP A 77 99.977 5.531 12.455 1.00 0.00 C ATOM 1248 CG TRP A 77 100.370 5.585 11.021 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.372 4.870 10.461 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.777 6.372 9.947 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.376 5.105 9.103 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.432 6.044 8.742 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.730 7.308 9.897 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 100.073 6.627 7.529 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.364 7.902 8.675 1.00 0.00 C ATOM 1256 CH2 TRP A 77 99.039 7.566 7.494 1.00 0.00 C ATOM 0 H TRP A 77 98.936 2.836 11.299 1.00 0.00 H new ATOM 0 HA TRP A 77 98.495 4.453 13.609 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.648 6.511 12.801 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.825 5.242 13.076 1.00 0.00 H new ATOM 0 HD1 TRP A 77 102.056 4.222 10.990 1.00 0.00 H new ATOM 0 HE1 TRP A 77 102.001 4.641 8.444 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.203 7.573 10.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.591 6.355 6.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.558 8.621 8.647 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.761 8.031 6.560 1.00 0.00 H new ATOM 1267 N ALA A 78 96.971 5.988 12.069 1.00 0.00 N ATOM 1268 CA ALA A 78 95.860 6.502 11.265 1.00 0.00 C ATOM 1269 C ALA A 78 95.764 8.016 11.421 1.00 0.00 C ATOM 1270 O ALA A 78 95.641 8.515 12.539 1.00 0.00 O ATOM 1271 CB ALA A 78 94.555 5.872 11.754 1.00 0.00 C ATOM 0 H ALA A 78 97.142 6.501 12.934 1.00 0.00 H new ATOM 0 HA ALA A 78 96.030 6.254 10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.723 6.250 11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.612 4.789 11.649 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.398 6.128 12.802 1.00 0.00 H new ATOM 1277 N ARG A 79 95.818 8.755 10.311 1.00 0.00 N ATOM 1278 CA ARG A 79 95.731 10.212 10.403 1.00 0.00 C ATOM 1279 C ARG A 79 95.148 10.862 9.143 1.00 0.00 C ATOM 1280 O ARG A 79 95.578 10.568 8.027 1.00 0.00 O ATOM 1281 CB ARG A 79 97.123 10.785 10.689 1.00 0.00 C ATOM 1282 CG ARG A 79 97.012 12.081 11.501 1.00 0.00 C ATOM 1283 CD ARG A 79 98.411 12.576 11.884 1.00 0.00 C ATOM 1284 NE ARG A 79 98.882 13.554 10.912 1.00 0.00 N ATOM 1285 CZ ARG A 79 100.075 14.125 11.039 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.847 13.805 12.040 1.00 0.00 N ATOM 1287 NH2 ARG A 79 100.475 15.003 10.161 1.00 0.00 N ATOM 0 H ARG A 79 95.918 8.383 9.367 1.00 0.00 H new ATOM 0 HA ARG A 79 95.045 10.443 11.218 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.718 10.055 11.237 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.643 10.980 9.751 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.494 12.843 10.918 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.419 11.908 12.399 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.387 13.023 12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.103 11.735 11.929 1.00 0.00 H new ATOM 0 HE ARG A 79 98.287 13.804 10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.535 13.117 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.763 14.243 12.138 1.00 0.00 H new ATOM 0 HH21 ARG A 79 99.872 15.251 9.377 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.391 15.441 10.259 1.00 0.00 H new ATOM 1301 N ASP A 80 94.218 11.796 9.339 1.00 0.00 N ATOM 1302 CA ASP A 80 93.640 12.543 8.224 1.00 0.00 C ATOM 1303 C ASP A 80 92.998 11.660 7.159 1.00 0.00 C ATOM 1304 O ASP A 80 93.204 11.886 5.967 1.00 0.00 O ATOM 1305 CB ASP A 80 94.730 13.397 7.572 1.00 0.00 C ATOM 1306 CG ASP A 80 95.640 13.989 8.643 1.00 0.00 C ATOM 1307 OD1 ASP A 80 95.160 14.803 9.415 1.00 0.00 O ATOM 1308 OD2 ASP A 80 96.801 13.620 8.677 1.00 0.00 O ATOM 0 H ASP A 80 93.850 12.052 10.255 1.00 0.00 H new ATOM 0 HA ASP A 80 92.844 13.159 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.315 12.789 6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 80 94.276 14.196 6.987 1.00 0.00 H new ATOM 1313 N GLY A 81 92.182 10.694 7.566 1.00 0.00 N ATOM 1314 CA GLY A 81 91.490 9.853 6.591 1.00 0.00 C ATOM 1315 C GLY A 81 92.353 8.711 6.070 1.00 0.00 C ATOM 1316 O GLY A 81 91.828 7.674 5.663 1.00 0.00 O ATOM 0 H GLY A 81 91.985 10.475 8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.590 9.441 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.168 10.469 5.752 1.00 0.00 H new ATOM 1320 N LEU A 82 93.665 8.896 6.056 1.00 0.00 N ATOM 1321 CA LEU A 82 94.553 7.856 5.551 1.00 0.00 C ATOM 1322 C LEU A 82 94.956 6.912 6.676 1.00 0.00 C ATOM 1323 O LEU A 82 94.950 7.284 7.849 1.00 0.00 O ATOM 1324 CB LEU A 82 95.798 8.492 4.926 1.00 0.00 C ATOM 1325 CG LEU A 82 95.407 9.798 4.228 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.631 10.389 3.523 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.312 9.515 3.195 1.00 0.00 C ATOM 0 H LEU A 82 94.134 9.741 6.382 1.00 0.00 H new ATOM 0 HA LEU A 82 94.025 7.283 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.545 8.688 5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.250 7.805 4.210 1.00 0.00 H new ATOM 0 HG LEU A 82 95.037 10.508 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.352 11.318 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.412 10.590 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 82 97.002 9.680 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 82 94.033 10.444 2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.684 8.805 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.440 9.095 3.695 1.00 0.00 H new ATOM 1339 N LEU A 83 95.287 5.680 6.305 1.00 0.00 N ATOM 1340 CA LEU A 83 95.671 4.668 7.279 1.00 0.00 C ATOM 1341 C LEU A 83 97.006 4.042 6.929 1.00 0.00 C ATOM 1342 O LEU A 83 97.242 3.686 5.775 1.00 0.00 O ATOM 1343 CB LEU A 83 94.635 3.544 7.236 1.00 0.00 C ATOM 1344 CG LEU A 83 93.235 4.110 7.464 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.211 2.981 7.323 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.142 4.715 8.871 1.00 0.00 C ATOM 0 H LEU A 83 95.297 5.359 5.337 1.00 0.00 H new ATOM 0 HA LEU A 83 95.734 5.145 8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.678 3.036 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.863 2.800 7.999 1.00 0.00 H new ATOM 0 HG LEU A 83 93.031 4.888 6.728 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.208 3.377 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.276 2.554 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.419 2.207 8.062 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.141 5.117 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.344 3.943 9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.875 5.515 8.972 1.00 0.00 H new ATOM 1358 N GLY A 84 97.872 3.875 7.917 1.00 0.00 N ATOM 1359 CA GLY A 84 99.160 3.256 7.669 1.00 0.00 C ATOM 1360 C GLY A 84 99.103 1.792 8.060 1.00 0.00 C ATOM 1361 O GLY A 84 98.342 1.405 8.946 1.00 0.00 O ATOM 0 H GLY A 84 97.708 4.156 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.424 3.352 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.936 3.766 8.240 1.00 0.00 H new ATOM 1365 N PHE A 85 99.900 0.980 7.394 1.00 0.00 N ATOM 1366 CA PHE A 85 99.920 -0.443 7.679 1.00 0.00 C ATOM 1367 C PHE A 85 101.324 -1.001 7.502 1.00 0.00 C ATOM 1368 O PHE A 85 101.997 -0.704 6.514 1.00 0.00 O ATOM 1369 CB PHE A 85 98.947 -1.160 6.741 1.00 0.00 C ATOM 1370 CG PHE A 85 97.536 -0.954 7.232 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.099 -1.622 8.377 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.670 -0.094 6.549 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.799 -1.434 8.846 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.366 0.098 7.020 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.930 -0.573 8.169 1.00 0.00 C ATOM 0 H PHE A 85 100.539 1.277 6.656 1.00 0.00 H new ATOM 0 HA PHE A 85 99.615 -0.605 8.713 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.051 -0.774 5.727 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.179 -2.224 6.703 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.770 -2.287 8.901 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.006 0.420 5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.464 -1.953 9.732 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.696 0.764 6.497 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.924 -0.426 8.532 1.00 0.00 H new ATOM 1385 N GLU A 86 101.762 -1.818 8.457 1.00 0.00 N ATOM 1386 CA GLU A 86 103.089 -2.414 8.382 1.00 0.00 C ATOM 1387 C GLU A 86 102.957 -3.875 7.966 1.00 0.00 C ATOM 1388 O GLU A 86 102.213 -4.636 8.584 1.00 0.00 O ATOM 1389 CB GLU A 86 103.786 -2.331 9.745 1.00 0.00 C ATOM 1390 CG GLU A 86 105.248 -2.784 9.612 1.00 0.00 C ATOM 1391 CD GLU A 86 105.681 -3.552 10.859 1.00 0.00 C ATOM 1392 OE1 GLU A 86 105.384 -3.091 11.949 1.00 0.00 O ATOM 1393 OE2 GLU A 86 106.299 -4.592 10.704 1.00 0.00 O ATOM 0 H GLU A 86 101.223 -2.079 9.282 1.00 0.00 H new ATOM 0 HA GLU A 86 103.685 -1.871 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 86 103.745 -1.309 10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.266 -2.959 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 86 105.361 -3.415 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.893 -1.917 9.469 1.00 0.00 H new ATOM 1400 N CYS A 87 103.658 -4.255 6.906 1.00 0.00 N ATOM 1401 CA CYS A 87 103.583 -5.624 6.407 1.00 0.00 C ATOM 1402 C CYS A 87 104.263 -6.606 7.359 1.00 0.00 C ATOM 1403 O CYS A 87 105.434 -6.445 7.706 1.00 0.00 O ATOM 1404 CB CYS A 87 104.238 -5.701 5.022 1.00 0.00 C ATOM 1405 SG CYS A 87 102.958 -5.783 3.744 1.00 0.00 S ATOM 0 H CYS A 87 104.280 -3.642 6.378 1.00 0.00 H new ATOM 0 HA CYS A 87 102.532 -5.903 6.336 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.872 -4.829 4.860 1.00 0.00 H new ATOM 0 HB3 CYS A 87 104.882 -6.578 4.962 1.00 0.00 H new ATOM 0 HG CYS A 87 102.225 -6.840 3.931 1.00 0.00 H new ATOM 1411 N GLN A 88 103.515 -7.630 7.767 1.00 0.00 N ATOM 1412 CA GLN A 88 104.040 -8.651 8.669 1.00 0.00 C ATOM 1413 C GLN A 88 104.484 -9.879 7.878 1.00 0.00 C ATOM 1414 O GLN A 88 105.431 -10.566 8.259 1.00 0.00 O ATOM 1415 CB GLN A 88 102.965 -9.060 9.679 1.00 0.00 C ATOM 1416 CG GLN A 88 102.253 -7.813 10.202 1.00 0.00 C ATOM 1417 CD GLN A 88 103.262 -6.868 10.843 1.00 0.00 C ATOM 1418 OE1 GLN A 88 103.658 -7.070 11.991 1.00 0.00 O ATOM 1419 NE2 GLN A 88 103.707 -5.845 10.166 1.00 0.00 N ATOM 0 H GLN A 88 102.545 -7.774 7.487 1.00 0.00 H new ATOM 0 HA GLN A 88 104.898 -8.237 9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 88 102.246 -9.731 9.209 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.418 -9.607 10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 88 101.738 -7.308 9.385 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.494 -8.096 10.931 1.00 0.00 H new ATOM 0 HE21 GLN A 88 103.377 -5.680 9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 88 104.385 -5.210 10.588 1.00 0.00 H new ATOM 1428 N HIS A 89 103.795 -10.141 6.771 1.00 0.00 N ATOM 1429 CA HIS A 89 104.128 -11.282 5.925 1.00 0.00 C ATOM 1430 C HIS A 89 103.540 -11.082 4.530 1.00 0.00 C ATOM 1431 O HIS A 89 102.442 -10.565 4.383 1.00 0.00 O ATOM 1432 CB HIS A 89 103.586 -12.576 6.559 1.00 0.00 C ATOM 1433 CG HIS A 89 102.563 -13.210 5.656 1.00 0.00 C ATOM 1434 ND1 HIS A 89 102.876 -13.653 4.380 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.225 -13.470 5.824 1.00 0.00 C ATOM 1436 CE1 HIS A 89 101.752 -14.150 3.834 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.715 -14.063 4.672 1.00 0.00 N ATOM 0 H HIS A 89 103.008 -9.583 6.441 1.00 0.00 H new ATOM 0 HA HIS A 89 105.211 -11.363 5.837 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.405 -13.273 6.738 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.139 -12.355 7.528 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.655 -13.248 6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 89 101.695 -14.568 2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 89 99.756 -14.366 4.504 1.00 0.00 H new ATOM 1445 N ILE A 90 104.287 -11.483 3.515 1.00 0.00 N ATOM 1446 CA ILE A 90 103.848 -11.331 2.129 1.00 0.00 C ATOM 1447 C ILE A 90 104.336 -12.503 1.291 1.00 0.00 C ATOM 1448 O ILE A 90 105.446 -13.004 1.474 1.00 0.00 O ATOM 1449 CB ILE A 90 104.372 -10.007 1.569 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.064 -9.912 0.069 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.884 -9.927 1.793 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.540 -8.560 -0.467 1.00 0.00 C ATOM 0 H ILE A 90 105.204 -11.918 3.621 1.00 0.00 H new ATOM 0 HA ILE A 90 102.759 -11.321 2.094 1.00 0.00 H new ATOM 0 HB ILE A 90 103.882 -9.179 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.559 -10.722 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.993 -10.026 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.261 -8.985 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.097 -9.982 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.372 -10.758 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.321 -8.493 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 90 104.024 -7.758 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.615 -8.465 -0.311 1.00 0.00 H new ATOM 1464 N ASP A 91 103.465 -12.954 0.384 1.00 0.00 N ATOM 1465 CA ASP A 91 103.773 -14.098 -0.472 1.00 0.00 C ATOM 1466 C ASP A 91 105.051 -13.881 -1.279 1.00 0.00 C ATOM 1467 O ASP A 91 105.345 -12.775 -1.732 1.00 0.00 O ATOM 1468 CB ASP A 91 102.601 -14.381 -1.417 1.00 0.00 C ATOM 1469 CG ASP A 91 102.897 -15.615 -2.265 1.00 0.00 C ATOM 1470 OD1 ASP A 91 103.986 -15.691 -2.810 1.00 0.00 O ATOM 1471 OD2 ASP A 91 102.028 -16.467 -2.357 1.00 0.00 O ATOM 0 H ASP A 91 102.544 -12.544 0.225 1.00 0.00 H new ATOM 0 HA ASP A 91 103.934 -14.958 0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.689 -14.536 -0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.428 -13.520 -2.062 1.00 0.00 H new ATOM 1476 N LEU A 92 105.806 -14.964 -1.430 1.00 0.00 N ATOM 1477 CA LEU A 92 107.069 -14.913 -2.159 1.00 0.00 C ATOM 1478 C LEU A 92 106.852 -14.321 -3.552 1.00 0.00 C ATOM 1479 O LEU A 92 107.649 -13.506 -4.017 1.00 0.00 O ATOM 1480 CB LEU A 92 107.670 -16.318 -2.274 1.00 0.00 C ATOM 1481 CG LEU A 92 109.027 -16.249 -2.997 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.026 -17.182 -2.307 1.00 0.00 C ATOM 1483 CD2 LEU A 92 108.860 -16.682 -4.459 1.00 0.00 C ATOM 0 H LEU A 92 105.567 -15.884 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 92 107.763 -14.276 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.798 -16.751 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 92 106.989 -16.971 -2.821 1.00 0.00 H new ATOM 0 HG LEU A 92 109.397 -15.224 -2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 92 110.986 -17.131 -2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 92 110.153 -16.875 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.651 -18.205 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 92 109.824 -16.631 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 92 108.485 -17.705 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 92 108.153 -16.018 -4.957 1.00 0.00 H new ATOM 1495 N ASP A 93 105.768 -14.723 -4.208 1.00 0.00 N ATOM 1496 CA ASP A 93 105.458 -14.208 -5.537 1.00 0.00 C ATOM 1497 C ASP A 93 105.104 -12.727 -5.448 1.00 0.00 C ATOM 1498 O ASP A 93 105.537 -11.921 -6.272 1.00 0.00 O ATOM 1499 CB ASP A 93 104.284 -14.988 -6.146 1.00 0.00 C ATOM 1500 CG ASP A 93 104.804 -16.107 -7.045 1.00 0.00 C ATOM 1501 OD1 ASP A 93 105.027 -17.194 -6.538 1.00 0.00 O ATOM 1502 OD2 ASP A 93 104.969 -15.859 -8.229 1.00 0.00 O ATOM 0 H ASP A 93 105.095 -15.398 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 93 106.333 -14.331 -6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 93 103.666 -15.407 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 93 103.650 -14.314 -6.722 1.00 0.00 H new ATOM 1507 N SER A 94 104.318 -12.376 -4.435 1.00 0.00 N ATOM 1508 CA SER A 94 103.915 -10.989 -4.236 1.00 0.00 C ATOM 1509 C SER A 94 105.140 -10.113 -4.014 1.00 0.00 C ATOM 1510 O SER A 94 105.200 -8.977 -4.482 1.00 0.00 O ATOM 1511 CB SER A 94 102.992 -10.887 -3.024 1.00 0.00 C ATOM 1512 OG SER A 94 101.680 -11.289 -3.395 1.00 0.00 O ATOM 0 H SER A 94 103.950 -13.029 -3.743 1.00 0.00 H new ATOM 0 HA SER A 94 103.387 -10.647 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.363 -11.518 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 94 102.978 -9.864 -2.648 1.00 0.00 H new ATOM 0 HG SER A 94 101.700 -12.215 -3.716 1.00 0.00 H new ATOM 1518 N ILE A 95 106.116 -10.654 -3.295 1.00 0.00 N ATOM 1519 CA ILE A 95 107.338 -9.918 -3.013 1.00 0.00 C ATOM 1520 C ILE A 95 108.021 -9.516 -4.310 1.00 0.00 C ATOM 1521 O ILE A 95 108.586 -8.428 -4.413 1.00 0.00 O ATOM 1522 CB ILE A 95 108.296 -10.781 -2.180 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.767 -10.886 -0.746 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.690 -10.143 -2.166 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.604 -11.890 0.057 1.00 0.00 C ATOM 0 H ILE A 95 106.084 -11.594 -2.900 1.00 0.00 H new ATOM 0 HA ILE A 95 107.078 -9.021 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 95 108.362 -11.776 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.801 -9.908 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.723 -11.200 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.366 -10.759 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.066 -10.069 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.630 -9.147 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.217 -11.955 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.548 -12.871 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.642 -11.559 0.084 1.00 0.00 H new ATOM 1537 N SER A 96 107.984 -10.406 -5.296 1.00 0.00 N ATOM 1538 CA SER A 96 108.628 -10.116 -6.569 1.00 0.00 C ATOM 1539 C SER A 96 107.868 -9.045 -7.344 1.00 0.00 C ATOM 1540 O SER A 96 108.484 -8.168 -7.948 1.00 0.00 O ATOM 1541 CB SER A 96 108.772 -11.382 -7.405 1.00 0.00 C ATOM 1542 OG SER A 96 110.104 -11.484 -7.888 1.00 0.00 O ATOM 0 H SER A 96 107.525 -11.315 -5.241 1.00 0.00 H new ATOM 0 HA SER A 96 109.625 -9.730 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.524 -12.257 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.072 -11.360 -8.240 1.00 0.00 H new ATOM 0 HG SER A 96 110.196 -12.299 -8.424 1.00 0.00 H new ATOM 1548 N HIS A 97 106.543 -9.100 -7.339 1.00 0.00 N ATOM 1549 CA HIS A 97 105.781 -8.095 -8.066 1.00 0.00 C ATOM 1550 C HIS A 97 106.060 -6.717 -7.466 1.00 0.00 C ATOM 1551 O HIS A 97 106.172 -5.726 -8.187 1.00 0.00 O ATOM 1552 CB HIS A 97 104.288 -8.399 -8.021 1.00 0.00 C ATOM 1553 CG HIS A 97 103.944 -9.478 -9.006 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.663 -9.200 -10.333 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.803 -10.836 -8.868 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.367 -10.363 -10.936 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.438 -11.394 -10.090 1.00 0.00 N ATOM 0 H HIS A 97 105.988 -9.806 -6.856 1.00 0.00 H new ATOM 0 HA HIS A 97 106.091 -8.108 -9.111 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.004 -8.711 -7.016 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.720 -7.497 -8.247 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.952 -11.388 -7.952 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.103 -10.454 -11.979 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.263 -12.378 -10.295 1.00 0.00 H new