USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 41 GLN : amide:sc= -7.78! C(o=-13!,f=-10!) USER MOD Set 1.2: A 45 ASN : amide:sc= -5.66! C(o=-13!,f=-10!) USER MOD Single : A 17 THR OG1 : rot -44:sc= 0.235 USER MOD Single : A 18 GLN : amide:sc=-0.00627 K(o=-0.0063,f=-1.4) USER MOD Single : A 22 MET CE :methyl -169:sc= -3.02 (180deg=-3.38) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.35! C(o=-1.4!,f=-1.9!) USER MOD Single : A 34 LYS NZ :NH3+ -165:sc=-0.00798 (180deg=-0.197) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.635! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot -39:sc= -2.93! USER MOD Single : A 65 MET CE :methyl -155:sc= -2.14 (180deg=-3.55!) USER MOD ----------------------------------------------------------------- ATOM 261 N THR A 17 -0.385 10.040 -2.403 1.00 0.00 N ATOM 262 CA THR A 17 0.362 9.989 -3.648 1.00 0.00 C ATOM 263 C THR A 17 0.948 8.592 -3.862 1.00 0.00 C ATOM 264 O THR A 17 1.085 7.821 -2.914 1.00 0.00 O ATOM 265 CB THR A 17 1.421 11.093 -3.608 1.00 0.00 C ATOM 266 OG1 THR A 17 1.930 11.038 -2.278 1.00 0.00 O ATOM 267 CG2 THR A 17 0.813 12.492 -3.717 1.00 0.00 C ATOM 0 HA THR A 17 -0.285 10.170 -4.506 1.00 0.00 H new ATOM 0 HB THR A 17 2.132 10.943 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.186 10.945 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.607 13.238 -3.683 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.271 12.581 -4.659 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.126 12.656 -2.887 1.00 0.00 H new ATOM 275 N GLN A 18 1.278 8.309 -5.113 1.00 0.00 N ATOM 276 CA GLN A 18 1.846 7.018 -5.464 1.00 0.00 C ATOM 277 C GLN A 18 3.121 6.763 -4.659 1.00 0.00 C ATOM 278 O GLN A 18 3.412 5.625 -4.294 1.00 0.00 O ATOM 279 CB GLN A 18 2.119 6.930 -6.967 1.00 0.00 C ATOM 280 CG GLN A 18 3.004 8.088 -7.432 1.00 0.00 C ATOM 281 CD GLN A 18 4.366 7.580 -7.909 1.00 0.00 C ATOM 282 OE1 GLN A 18 5.064 6.857 -7.218 1.00 0.00 O ATOM 283 NE2 GLN A 18 4.703 7.997 -9.126 1.00 0.00 N ATOM 0 H GLN A 18 1.163 8.952 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 18 1.121 6.243 -5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.604 5.982 -7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.176 6.946 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.509 8.627 -8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.142 8.796 -6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.071 8.602 -9.651 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.593 7.712 -9.534 1.00 0.00 H new ATOM 292 N GLY A 19 3.848 7.841 -4.404 1.00 0.00 N ATOM 293 CA GLY A 19 5.086 7.749 -3.649 1.00 0.00 C ATOM 294 C GLY A 19 4.806 7.495 -2.166 1.00 0.00 C ATOM 295 O GLY A 19 5.492 6.698 -1.529 1.00 0.00 O ATOM 0 H GLY A 19 3.603 8.784 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.702 6.944 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.655 8.672 -3.763 1.00 0.00 H new ATOM 299 N GLU A 20 3.796 8.188 -1.661 1.00 0.00 N ATOM 300 CA GLU A 20 3.416 8.047 -0.265 1.00 0.00 C ATOM 301 C GLU A 20 3.063 6.591 0.045 1.00 0.00 C ATOM 302 O GLU A 20 3.265 6.125 1.166 1.00 0.00 O ATOM 303 CB GLU A 20 2.254 8.980 0.083 1.00 0.00 C ATOM 304 CG GLU A 20 2.766 10.342 0.555 1.00 0.00 C ATOM 305 CD GLU A 20 1.630 11.182 1.141 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.902 10.635 1.997 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.514 12.353 0.719 1.00 0.00 O ATOM 0 H GLU A 20 3.229 8.848 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 20 4.266 8.333 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.614 9.111 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.641 8.528 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.544 10.202 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.222 10.873 -0.281 1.00 0.00 H new ATOM 314 N LEU A 21 2.543 5.913 -0.967 1.00 0.00 N ATOM 315 CA LEU A 21 2.161 4.520 -0.817 1.00 0.00 C ATOM 316 C LEU A 21 3.302 3.751 -0.147 1.00 0.00 C ATOM 317 O LEU A 21 3.065 2.912 0.720 1.00 0.00 O ATOM 318 CB LEU A 21 1.732 3.933 -2.163 1.00 0.00 C ATOM 319 CG LEU A 21 0.417 3.151 -2.166 1.00 0.00 C ATOM 320 CD1 LEU A 21 0.417 2.074 -1.079 1.00 0.00 C ATOM 321 CD2 LEU A 21 -0.782 4.093 -2.038 1.00 0.00 C ATOM 0 H LEU A 21 2.377 6.303 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 21 1.291 4.433 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.649 4.748 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.524 3.274 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 21 0.326 2.641 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.529 1.533 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.237 1.378 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.543 2.542 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.704 3.511 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.709 4.650 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.788 4.790 -2.876 1.00 0.00 H new ATOM 333 N MET A 22 4.516 4.066 -0.575 1.00 0.00 N ATOM 334 CA MET A 22 5.694 3.416 -0.027 1.00 0.00 C ATOM 335 C MET A 22 5.668 3.431 1.502 1.00 0.00 C ATOM 336 O MET A 22 5.724 2.379 2.138 1.00 0.00 O ATOM 337 CB MET A 22 6.951 4.135 -0.523 1.00 0.00 C ATOM 338 CG MET A 22 8.181 3.703 0.278 1.00 0.00 C ATOM 339 SD MET A 22 9.649 3.862 -0.726 1.00 0.00 S ATOM 340 CE MET A 22 9.413 2.488 -1.840 1.00 0.00 C ATOM 0 H MET A 22 4.709 4.763 -1.295 1.00 0.00 H new ATOM 0 HA MET A 22 5.701 2.379 -0.361 1.00 0.00 H new ATOM 0 HB2 MET A 22 7.106 3.917 -1.580 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.816 5.213 -0.436 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.275 4.316 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.066 2.671 0.608 1.00 0.00 H new ATOM 0 HE1 MET A 22 10.328 2.319 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.171 1.593 -1.267 1.00 0.00 H new ATOM 0 HE3 MET A 22 8.596 2.712 -2.526 1.00 0.00 H new ATOM 350 N LYS A 23 5.582 4.634 2.049 1.00 0.00 N ATOM 351 CA LYS A 23 5.547 4.800 3.493 1.00 0.00 C ATOM 352 C LYS A 23 4.247 4.207 4.038 1.00 0.00 C ATOM 353 O LYS A 23 4.208 3.721 5.168 1.00 0.00 O ATOM 354 CB LYS A 23 5.759 6.268 3.869 1.00 0.00 C ATOM 355 CG LYS A 23 4.499 7.091 3.596 1.00 0.00 C ATOM 356 CD LYS A 23 4.074 7.872 4.841 1.00 0.00 C ATOM 357 CE LYS A 23 3.832 9.346 4.508 1.00 0.00 C ATOM 358 NZ LYS A 23 5.092 10.114 4.612 1.00 0.00 N ATOM 0 H LYS A 23 5.535 5.504 1.519 1.00 0.00 H new ATOM 0 HA LYS A 23 6.367 4.254 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.025 6.342 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.595 6.676 3.300 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.683 7.783 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.690 6.431 3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.166 7.435 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.845 7.790 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.427 9.435 3.500 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.089 9.761 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.910 11.112 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.463 10.043 5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.790 9.727 3.945 1.00 0.00 H new ATOM 372 N LEU A 24 3.214 4.266 3.211 1.00 0.00 N ATOM 373 CA LEU A 24 1.915 3.740 3.597 1.00 0.00 C ATOM 374 C LEU A 24 2.001 2.217 3.717 1.00 0.00 C ATOM 375 O LEU A 24 1.420 1.629 4.628 1.00 0.00 O ATOM 376 CB LEU A 24 0.833 4.221 2.627 1.00 0.00 C ATOM 377 CG LEU A 24 -0.584 4.310 3.195 1.00 0.00 C ATOM 378 CD1 LEU A 24 -1.563 4.842 2.146 1.00 0.00 C ATOM 379 CD2 LEU A 24 -1.032 2.963 3.766 1.00 0.00 C ATOM 0 H LEU A 24 3.250 4.670 2.275 1.00 0.00 H new ATOM 0 HA LEU A 24 1.625 4.121 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.117 5.206 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.818 3.549 1.769 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.577 5.023 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.563 4.895 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.251 5.837 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.573 4.173 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.043 3.054 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.019 2.211 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.354 2.663 4.565 1.00 0.00 H new ATOM 391 N ILE A 25 2.730 1.622 2.784 1.00 0.00 N ATOM 392 CA ILE A 25 2.899 0.179 2.773 1.00 0.00 C ATOM 393 C ILE A 25 3.733 -0.241 3.985 1.00 0.00 C ATOM 394 O ILE A 25 3.394 -1.203 4.673 1.00 0.00 O ATOM 395 CB ILE A 25 3.482 -0.282 1.436 1.00 0.00 C ATOM 396 CG1 ILE A 25 2.385 -0.419 0.378 1.00 0.00 C ATOM 397 CG2 ILE A 25 4.281 -1.576 1.604 1.00 0.00 C ATOM 398 CD1 ILE A 25 2.962 -0.918 -0.948 1.00 0.00 C ATOM 0 H ILE A 25 3.210 2.113 2.030 1.00 0.00 H new ATOM 0 HA ILE A 25 1.933 -0.319 2.862 1.00 0.00 H new ATOM 0 HB ILE A 25 4.176 0.482 1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.620 -1.112 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.898 0.544 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.685 -1.882 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.100 -1.410 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.628 -2.359 1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.162 -1.007 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.709 -0.211 -1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.427 -1.892 -0.799 1.00 0.00 H new ATOM 410 N LYS A 26 4.807 0.502 4.210 1.00 0.00 N ATOM 411 CA LYS A 26 5.692 0.218 5.327 1.00 0.00 C ATOM 412 C LYS A 26 4.923 0.393 6.638 1.00 0.00 C ATOM 413 O LYS A 26 5.118 -0.371 7.583 1.00 0.00 O ATOM 414 CB LYS A 26 6.958 1.073 5.238 1.00 0.00 C ATOM 415 CG LYS A 26 6.872 2.279 6.175 1.00 0.00 C ATOM 416 CD LYS A 26 7.243 1.889 7.607 1.00 0.00 C ATOM 417 CE LYS A 26 8.429 2.715 8.110 1.00 0.00 C ATOM 418 NZ LYS A 26 8.251 3.060 9.539 1.00 0.00 N ATOM 0 H LYS A 26 5.084 1.300 3.638 1.00 0.00 H new ATOM 0 HA LYS A 26 6.031 -0.817 5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.828 0.469 5.496 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.099 1.414 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.540 3.065 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.862 2.687 6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.386 2.040 8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.491 0.828 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.353 2.153 7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.522 3.626 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.064 3.620 9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.379 3.615 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.184 2.188 10.101 1.00 0.00 H new ATOM 432 N GLU A 27 4.065 1.402 6.654 1.00 0.00 N ATOM 433 CA GLU A 27 3.266 1.687 7.834 1.00 0.00 C ATOM 434 C GLU A 27 2.408 0.473 8.199 1.00 0.00 C ATOM 435 O GLU A 27 2.215 0.178 9.378 1.00 0.00 O ATOM 436 CB GLU A 27 2.397 2.928 7.621 1.00 0.00 C ATOM 437 CG GLU A 27 2.110 3.630 8.950 1.00 0.00 C ATOM 438 CD GLU A 27 0.753 3.203 9.514 1.00 0.00 C ATOM 439 OE1 GLU A 27 0.572 1.979 9.691 1.00 0.00 O ATOM 440 OE2 GLU A 27 -0.072 4.110 9.756 1.00 0.00 O ATOM 0 H GLU A 27 3.905 2.033 5.868 1.00 0.00 H new ATOM 0 HA GLU A 27 3.941 1.894 8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.900 3.617 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.458 2.642 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.896 3.394 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.124 4.710 8.805 1.00 0.00 H new ATOM 447 N ILE A 28 1.917 -0.196 7.167 1.00 0.00 N ATOM 448 CA ILE A 28 1.085 -1.371 7.365 1.00 0.00 C ATOM 449 C ILE A 28 1.933 -2.498 7.959 1.00 0.00 C ATOM 450 O ILE A 28 1.469 -3.240 8.823 1.00 0.00 O ATOM 451 CB ILE A 28 0.379 -1.753 6.063 1.00 0.00 C ATOM 452 CG1 ILE A 28 -0.966 -1.035 5.936 1.00 0.00 C ATOM 453 CG2 ILE A 28 0.231 -3.271 5.944 1.00 0.00 C ATOM 454 CD1 ILE A 28 -1.099 -0.354 4.573 1.00 0.00 C ATOM 0 H ILE A 28 2.079 0.053 6.191 1.00 0.00 H new ATOM 0 HA ILE A 28 0.291 -1.159 8.081 1.00 0.00 H new ATOM 0 HB ILE A 28 1.000 -1.423 5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.778 -1.750 6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.062 -0.292 6.728 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.274 -3.515 5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.217 -3.735 5.955 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.356 -3.646 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.064 0.149 4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.300 0.378 4.452 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.027 -1.102 3.784 1.00 0.00 H new ATOM 466 N VAL A 29 3.161 -2.590 7.471 1.00 0.00 N ATOM 467 CA VAL A 29 4.079 -3.614 7.942 1.00 0.00 C ATOM 468 C VAL A 29 4.668 -3.184 9.287 1.00 0.00 C ATOM 469 O VAL A 29 5.534 -3.865 9.835 1.00 0.00 O ATOM 470 CB VAL A 29 5.146 -3.888 6.881 1.00 0.00 C ATOM 471 CG1 VAL A 29 5.638 -5.335 6.960 1.00 0.00 C ATOM 472 CG2 VAL A 29 4.624 -3.563 5.480 1.00 0.00 C ATOM 0 H VAL A 29 3.542 -1.972 6.754 1.00 0.00 H new ATOM 0 HA VAL A 29 3.553 -4.555 8.104 1.00 0.00 H new ATOM 0 HB VAL A 29 5.994 -3.233 7.082 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.396 -5.504 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.068 -5.520 7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.801 -6.013 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.403 -3.767 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.751 -4.180 5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.345 -2.510 5.431 1.00 0.00 H new ATOM 482 N GLU A 30 4.177 -2.057 9.779 1.00 0.00 N ATOM 483 CA GLU A 30 4.644 -1.528 11.049 1.00 0.00 C ATOM 484 C GLU A 30 4.420 -2.551 12.165 1.00 0.00 C ATOM 485 O GLU A 30 5.162 -2.577 13.146 1.00 0.00 O ATOM 486 CB GLU A 30 3.958 -0.200 11.377 1.00 0.00 C ATOM 487 CG GLU A 30 4.574 0.443 12.621 1.00 0.00 C ATOM 488 CD GLU A 30 3.510 0.694 13.692 1.00 0.00 C ATOM 489 OE1 GLU A 30 2.336 0.864 13.297 1.00 0.00 O ATOM 490 OE2 GLU A 30 3.895 0.711 14.881 1.00 0.00 O ATOM 0 H GLU A 30 3.460 -1.495 9.321 1.00 0.00 H new ATOM 0 HA GLU A 30 5.714 -1.336 10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.049 0.479 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.893 -0.367 11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.353 -0.205 13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.051 1.385 12.350 1.00 0.00 H new ATOM 497 N ASN A 31 3.394 -3.368 11.978 1.00 0.00 N ATOM 498 CA ASN A 31 3.063 -4.390 12.956 1.00 0.00 C ATOM 499 C ASN A 31 2.351 -5.549 12.255 1.00 0.00 C ATOM 500 O ASN A 31 1.197 -5.848 12.557 1.00 0.00 O ATOM 501 CB ASN A 31 2.123 -3.839 14.031 1.00 0.00 C ATOM 502 CG ASN A 31 0.773 -3.444 13.429 1.00 0.00 C ATOM 503 OD1 ASN A 31 0.679 -2.601 12.551 1.00 0.00 O ATOM 504 ND2 ASN A 31 -0.263 -4.096 13.948 1.00 0.00 N ATOM 0 H ASN A 31 2.781 -3.343 11.163 1.00 0.00 H new ATOM 0 HA ASN A 31 3.990 -4.723 13.423 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.973 -4.589 14.807 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.580 -2.972 14.509 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.207 -3.903 13.613 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.114 -4.790 14.681 1.00 0.00 H new ATOM 511 N GLU A 32 3.070 -6.171 11.332 1.00 0.00 N ATOM 512 CA GLU A 32 2.523 -7.291 10.586 1.00 0.00 C ATOM 513 C GLU A 32 2.188 -8.446 11.532 1.00 0.00 C ATOM 514 O GLU A 32 2.007 -8.239 12.731 1.00 0.00 O ATOM 515 CB GLU A 32 3.488 -7.744 9.489 1.00 0.00 C ATOM 516 CG GLU A 32 4.666 -8.520 10.081 1.00 0.00 C ATOM 517 CD GLU A 32 4.755 -9.924 9.479 1.00 0.00 C ATOM 518 OE1 GLU A 32 5.034 -10.004 8.263 1.00 0.00 O ATOM 519 OE2 GLU A 32 4.542 -10.886 10.249 1.00 0.00 O ATOM 0 H GLU A 32 4.027 -5.920 11.084 1.00 0.00 H new ATOM 0 HA GLU A 32 1.603 -6.964 10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.959 -8.371 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.857 -6.876 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.594 -7.980 9.892 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.553 -8.591 11.163 1.00 0.00 H new ATOM 526 N ASP A 33 2.115 -9.638 10.957 1.00 0.00 N ATOM 527 CA ASP A 33 1.805 -10.826 11.734 1.00 0.00 C ATOM 528 C ASP A 33 2.310 -12.063 10.989 1.00 0.00 C ATOM 529 O ASP A 33 2.384 -12.066 9.761 1.00 0.00 O ATOM 530 CB ASP A 33 0.295 -10.976 11.932 1.00 0.00 C ATOM 531 CG ASP A 33 -0.125 -11.561 13.282 1.00 0.00 C ATOM 532 OD1 ASP A 33 0.455 -12.605 13.653 1.00 0.00 O ATOM 533 OD2 ASP A 33 -1.016 -10.952 13.911 1.00 0.00 O ATOM 0 H ASP A 33 2.265 -9.806 9.962 1.00 0.00 H new ATOM 0 HA ASP A 33 2.288 -10.729 12.706 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.170 -9.997 11.817 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.099 -11.612 11.139 1.00 0.00 H new ATOM 538 N LYS A 34 2.644 -13.085 11.763 1.00 0.00 N ATOM 539 CA LYS A 34 3.139 -14.326 11.192 1.00 0.00 C ATOM 540 C LYS A 34 1.965 -15.125 10.624 1.00 0.00 C ATOM 541 O LYS A 34 2.044 -15.645 9.511 1.00 0.00 O ATOM 542 CB LYS A 34 3.967 -15.097 12.222 1.00 0.00 C ATOM 543 CG LYS A 34 5.253 -14.343 12.568 1.00 0.00 C ATOM 544 CD LYS A 34 6.329 -15.301 13.083 1.00 0.00 C ATOM 545 CE LYS A 34 7.656 -14.571 13.299 1.00 0.00 C ATOM 546 NZ LYS A 34 8.254 -14.189 12.000 1.00 0.00 N ATOM 0 H LYS A 34 2.582 -13.079 12.781 1.00 0.00 H new ATOM 0 HA LYS A 34 3.816 -14.120 10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.377 -15.251 13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.214 -16.084 11.830 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.620 -13.819 11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.043 -13.586 13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.001 -15.752 14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.469 -16.114 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.494 -13.681 13.907 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.345 -15.212 13.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.251 -13.930 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.194 -14.991 11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.738 -13.377 11.605 1.00 0.00 H new ATOM 560 N ARG A 35 0.904 -15.199 11.413 1.00 0.00 N ATOM 561 CA ARG A 35 -0.285 -15.926 11.002 1.00 0.00 C ATOM 562 C ARG A 35 -1.069 -15.120 9.964 1.00 0.00 C ATOM 563 O ARG A 35 -2.038 -15.615 9.391 1.00 0.00 O ATOM 564 CB ARG A 35 -1.192 -16.221 12.198 1.00 0.00 C ATOM 565 CG ARG A 35 -1.721 -14.926 12.818 1.00 0.00 C ATOM 566 CD ARG A 35 -3.038 -15.170 13.557 1.00 0.00 C ATOM 567 NE ARG A 35 -2.796 -15.229 15.016 1.00 0.00 N ATOM 568 CZ ARG A 35 -2.738 -14.152 15.811 1.00 0.00 C ATOM 569 NH1 ARG A 35 -2.904 -12.927 15.294 1.00 0.00 N ATOM 570 NH2 ARG A 35 -2.514 -14.300 17.124 1.00 0.00 N ATOM 0 H ARG A 35 0.843 -14.767 12.335 1.00 0.00 H new ATOM 0 HA ARG A 35 0.040 -16.870 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.028 -16.844 11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.639 -16.788 12.947 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.982 -14.521 13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.871 -14.180 12.038 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.745 -14.373 13.329 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.488 -16.102 13.217 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.665 -16.146 15.443 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.075 -12.814 14.295 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.860 -12.108 15.900 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.388 -15.232 17.518 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.470 -13.480 17.729 1.00 0.00 H new ATOM 584 N LYS A 36 -0.619 -13.892 9.753 1.00 0.00 N ATOM 585 CA LYS A 36 -1.266 -13.012 8.794 1.00 0.00 C ATOM 586 C LYS A 36 -0.359 -11.811 8.519 1.00 0.00 C ATOM 587 O LYS A 36 -0.674 -10.688 8.911 1.00 0.00 O ATOM 588 CB LYS A 36 -2.665 -12.628 9.279 1.00 0.00 C ATOM 589 CG LYS A 36 -3.468 -11.961 8.160 1.00 0.00 C ATOM 590 CD LYS A 36 -4.928 -11.766 8.574 1.00 0.00 C ATOM 591 CE LYS A 36 -5.878 -12.226 7.467 1.00 0.00 C ATOM 592 NZ LYS A 36 -6.772 -11.119 7.058 1.00 0.00 N ATOM 0 H LYS A 36 0.186 -13.485 10.230 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.413 -13.525 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.190 -13.517 9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.586 -11.950 10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.024 -10.996 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.420 -12.573 7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.129 -12.327 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.108 -10.715 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.304 -12.574 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.472 -13.071 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.410 -11.448 6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.333 -10.806 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.201 -10.324 6.705 1.00 0.00 H new ATOM 606 N PRO A 37 0.777 -12.095 7.828 1.00 0.00 N ATOM 607 CA PRO A 37 1.732 -11.050 7.496 1.00 0.00 C ATOM 608 C PRO A 37 1.213 -10.178 6.351 1.00 0.00 C ATOM 609 O PRO A 37 0.355 -10.605 5.579 1.00 0.00 O ATOM 610 CB PRO A 37 3.015 -11.787 7.147 1.00 0.00 C ATOM 611 CG PRO A 37 2.605 -13.219 6.846 1.00 0.00 C ATOM 612 CD PRO A 37 1.183 -13.412 7.348 1.00 0.00 C ATOM 0 HA PRO A 37 1.899 -10.355 8.319 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.505 -11.332 6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.724 -11.749 7.974 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.662 -13.415 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.281 -13.920 7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.526 -13.763 6.552 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.142 -14.154 8.145 1.00 0.00 H new ATOM 620 N TYR A 38 1.754 -8.971 6.277 1.00 0.00 N ATOM 621 CA TYR A 38 1.357 -8.035 5.240 1.00 0.00 C ATOM 622 C TYR A 38 2.161 -8.263 3.958 1.00 0.00 C ATOM 623 O TYR A 38 2.930 -7.398 3.541 1.00 0.00 O ATOM 624 CB TYR A 38 1.674 -6.641 5.785 1.00 0.00 C ATOM 625 CG TYR A 38 0.705 -6.161 6.867 1.00 0.00 C ATOM 626 CD1 TYR A 38 -0.638 -6.026 6.580 1.00 0.00 C ATOM 627 CD2 TYR A 38 1.174 -5.862 8.130 1.00 0.00 C ATOM 628 CE1 TYR A 38 -1.550 -5.574 7.598 1.00 0.00 C ATOM 629 CE2 TYR A 38 0.261 -5.410 9.148 1.00 0.00 C ATOM 630 CZ TYR A 38 -1.056 -5.288 8.832 1.00 0.00 C ATOM 631 OH TYR A 38 -1.917 -4.861 9.794 1.00 0.00 O ATOM 0 H TYR A 38 2.465 -8.620 6.919 1.00 0.00 H new ATOM 0 HA TYR A 38 0.302 -8.158 4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.685 -6.642 6.192 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.663 -5.929 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.005 -6.259 5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.225 -5.967 8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.603 -5.464 7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.615 -5.173 10.141 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.424 -4.696 10.625 1.00 0.00 H new ATOM 641 N SER A 39 1.955 -9.431 3.368 1.00 0.00 N ATOM 642 CA SER A 39 2.651 -9.784 2.143 1.00 0.00 C ATOM 643 C SER A 39 2.128 -8.936 0.981 1.00 0.00 C ATOM 644 O SER A 39 1.290 -8.058 1.178 1.00 0.00 O ATOM 645 CB SER A 39 2.491 -11.273 1.827 1.00 0.00 C ATOM 646 OG SER A 39 2.834 -11.572 0.477 1.00 0.00 O ATOM 0 H SER A 39 1.315 -10.145 3.716 1.00 0.00 H new ATOM 0 HA SER A 39 3.713 -9.582 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.121 -11.856 2.499 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.461 -11.575 2.015 1.00 0.00 H new ATOM 0 HG SER A 39 2.720 -12.532 0.315 1.00 0.00 H new ATOM 652 N ASP A 40 2.645 -9.229 -0.203 1.00 0.00 N ATOM 653 CA ASP A 40 2.240 -8.505 -1.396 1.00 0.00 C ATOM 654 C ASP A 40 0.735 -8.680 -1.608 1.00 0.00 C ATOM 655 O ASP A 40 0.048 -7.742 -2.009 1.00 0.00 O ATOM 656 CB ASP A 40 2.958 -9.041 -2.636 1.00 0.00 C ATOM 657 CG ASP A 40 3.095 -10.564 -2.696 1.00 0.00 C ATOM 658 OD1 ASP A 40 3.891 -11.094 -1.893 1.00 0.00 O ATOM 659 OD2 ASP A 40 2.399 -11.162 -3.545 1.00 0.00 O ATOM 0 H ASP A 40 3.341 -9.958 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 40 2.497 -7.455 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.421 -8.704 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.954 -8.600 -2.680 1.00 0.00 H new ATOM 664 N GLN A 41 0.267 -9.888 -1.330 1.00 0.00 N ATOM 665 CA GLN A 41 -1.144 -10.198 -1.485 1.00 0.00 C ATOM 666 C GLN A 41 -1.976 -9.399 -0.481 1.00 0.00 C ATOM 667 O GLN A 41 -2.992 -8.808 -0.842 1.00 0.00 O ATOM 668 CB GLN A 41 -1.395 -11.700 -1.334 1.00 0.00 C ATOM 669 CG GLN A 41 -2.472 -11.973 -0.283 1.00 0.00 C ATOM 670 CD GLN A 41 -3.843 -11.498 -0.767 1.00 0.00 C ATOM 671 OE1 GLN A 41 -4.146 -11.493 -1.948 1.00 0.00 O ATOM 672 NE2 GLN A 41 -4.653 -11.099 0.210 1.00 0.00 N ATOM 0 H GLN A 41 0.840 -10.664 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.451 -9.911 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.702 -12.119 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.469 -12.200 -1.050 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.509 -13.040 -0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.215 -11.466 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.336 -11.129 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.591 -10.763 -0.010 1.00 0.00 H new ATOM 681 N GLU A 42 -1.515 -9.408 0.762 1.00 0.00 N ATOM 682 CA GLU A 42 -2.205 -8.691 1.821 1.00 0.00 C ATOM 683 C GLU A 42 -2.180 -7.186 1.547 1.00 0.00 C ATOM 684 O GLU A 42 -3.208 -6.594 1.223 1.00 0.00 O ATOM 685 CB GLU A 42 -1.594 -9.011 3.187 1.00 0.00 C ATOM 686 CG GLU A 42 -2.675 -9.090 4.266 1.00 0.00 C ATOM 687 CD GLU A 42 -2.169 -9.850 5.494 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.000 -11.082 5.369 1.00 0.00 O ATOM 689 OE2 GLU A 42 -1.964 -9.182 6.530 1.00 0.00 O ATOM 0 H GLU A 42 -0.672 -9.900 1.059 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.244 -9.019 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.056 -9.958 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.866 -8.245 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.979 -8.084 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.559 -9.587 3.865 1.00 0.00 H new ATOM 696 N ILE A 43 -0.995 -6.611 1.688 1.00 0.00 N ATOM 697 CA ILE A 43 -0.823 -5.186 1.460 1.00 0.00 C ATOM 698 C ILE A 43 -1.628 -4.770 0.228 1.00 0.00 C ATOM 699 O ILE A 43 -2.338 -3.766 0.256 1.00 0.00 O ATOM 700 CB ILE A 43 0.663 -4.834 1.371 1.00 0.00 C ATOM 701 CG1 ILE A 43 1.173 -4.266 2.697 1.00 0.00 C ATOM 702 CG2 ILE A 43 0.933 -3.886 0.201 1.00 0.00 C ATOM 703 CD1 ILE A 43 2.647 -4.615 2.914 1.00 0.00 C ATOM 0 H ILE A 43 -0.145 -7.106 1.957 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.213 -4.615 2.303 1.00 0.00 H new ATOM 0 HB ILE A 43 1.219 -5.751 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.047 -3.183 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.577 -4.662 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.997 -3.652 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.631 -4.363 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.364 -2.967 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.983 -4.199 3.864 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.766 -5.698 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.243 -4.197 2.103 1.00 0.00 H new ATOM 715 N ALA A 44 -1.492 -5.564 -0.824 1.00 0.00 N ATOM 716 CA ALA A 44 -2.199 -5.291 -2.064 1.00 0.00 C ATOM 717 C ALA A 44 -3.703 -5.245 -1.789 1.00 0.00 C ATOM 718 O ALA A 44 -4.396 -4.343 -2.258 1.00 0.00 O ATOM 719 CB ALA A 44 -1.829 -6.348 -3.106 1.00 0.00 C ATOM 0 H ALA A 44 -0.903 -6.396 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.908 -4.321 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.359 -6.143 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.755 -6.320 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.109 -7.335 -2.738 1.00 0.00 H new ATOM 725 N ASN A 45 -4.164 -6.228 -1.031 1.00 0.00 N ATOM 726 CA ASN A 45 -5.574 -6.311 -0.688 1.00 0.00 C ATOM 727 C ASN A 45 -5.931 -5.169 0.265 1.00 0.00 C ATOM 728 O ASN A 45 -7.080 -4.733 0.315 1.00 0.00 O ATOM 729 CB ASN A 45 -5.893 -7.632 0.016 1.00 0.00 C ATOM 730 CG ASN A 45 -6.275 -8.714 -0.996 1.00 0.00 C ATOM 731 OD1 ASN A 45 -7.439 -8.984 -1.245 1.00 0.00 O ATOM 732 ND2 ASN A 45 -5.234 -9.317 -1.562 1.00 0.00 N ATOM 0 H ASN A 45 -3.586 -6.974 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.150 -6.246 -1.611 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.028 -7.958 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.710 -7.484 0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.384 -10.055 -2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.285 -9.042 -1.308 1.00 0.00 H new ATOM 739 N ILE A 46 -4.924 -4.717 0.999 1.00 0.00 N ATOM 740 CA ILE A 46 -5.117 -3.634 1.948 1.00 0.00 C ATOM 741 C ILE A 46 -5.526 -2.367 1.194 1.00 0.00 C ATOM 742 O ILE A 46 -6.430 -1.650 1.620 1.00 0.00 O ATOM 743 CB ILE A 46 -3.872 -3.457 2.819 1.00 0.00 C ATOM 744 CG1 ILE A 46 -4.006 -4.231 4.132 1.00 0.00 C ATOM 745 CG2 ILE A 46 -3.575 -1.974 3.056 1.00 0.00 C ATOM 746 CD1 ILE A 46 -2.803 -3.980 5.042 1.00 0.00 C ATOM 0 H ILE A 46 -3.972 -5.081 0.955 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.928 -3.871 2.636 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.019 -3.875 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.921 -3.932 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.092 -5.297 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.685 -1.876 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.405 -1.480 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.423 -1.509 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.924 -4.542 5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.892 -4.303 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.734 -2.916 5.269 1.00 0.00 H new ATOM 758 N LEU A 47 -4.840 -2.130 0.085 1.00 0.00 N ATOM 759 CA LEU A 47 -5.119 -0.962 -0.733 1.00 0.00 C ATOM 760 C LEU A 47 -6.628 -0.860 -0.969 1.00 0.00 C ATOM 761 O LEU A 47 -7.184 0.237 -0.989 1.00 0.00 O ATOM 762 CB LEU A 47 -4.296 -1.001 -2.021 1.00 0.00 C ATOM 763 CG LEU A 47 -4.901 -1.795 -3.181 1.00 0.00 C ATOM 764 CD1 LEU A 47 -5.761 -0.896 -4.071 1.00 0.00 C ATOM 765 CD2 LEU A 47 -3.812 -2.518 -3.977 1.00 0.00 C ATOM 0 H LEU A 47 -4.091 -2.727 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.814 -0.052 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.132 0.024 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.317 -1.422 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.558 -2.560 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.179 -1.485 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.571 -0.468 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.147 -0.094 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.268 -3.075 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.111 -1.788 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.280 -3.207 -3.322 1.00 0.00 H new ATOM 777 N LYS A 48 -7.247 -2.019 -1.143 1.00 0.00 N ATOM 778 CA LYS A 48 -8.679 -2.074 -1.378 1.00 0.00 C ATOM 779 C LYS A 48 -9.409 -1.394 -0.218 1.00 0.00 C ATOM 780 O LYS A 48 -10.468 -0.800 -0.409 1.00 0.00 O ATOM 781 CB LYS A 48 -9.127 -3.516 -1.625 1.00 0.00 C ATOM 782 CG LYS A 48 -9.522 -3.725 -3.088 1.00 0.00 C ATOM 783 CD LYS A 48 -11.016 -3.464 -3.295 1.00 0.00 C ATOM 784 CE LYS A 48 -11.593 -4.399 -4.359 1.00 0.00 C ATOM 785 NZ LYS A 48 -12.743 -5.156 -3.815 1.00 0.00 N ATOM 0 H LYS A 48 -6.782 -2.927 -1.126 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.937 -1.525 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.321 -4.201 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.972 -3.754 -0.979 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.941 -3.057 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.282 -4.744 -3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.547 -3.606 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.170 -2.427 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.909 -3.821 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.823 -5.091 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.123 -5.786 -4.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.432 -5.723 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.484 -4.492 -3.512 1.00 0.00 H new ATOM 799 N GLU A 49 -8.812 -1.505 0.960 1.00 0.00 N ATOM 800 CA GLU A 49 -9.391 -0.908 2.152 1.00 0.00 C ATOM 801 C GLU A 49 -10.058 0.425 1.807 1.00 0.00 C ATOM 802 O GLU A 49 -11.088 0.775 2.381 1.00 0.00 O ATOM 803 CB GLU A 49 -8.335 -0.727 3.243 1.00 0.00 C ATOM 804 CG GLU A 49 -8.010 -2.061 3.919 1.00 0.00 C ATOM 805 CD GLU A 49 -7.311 -1.840 5.262 1.00 0.00 C ATOM 806 OE1 GLU A 49 -7.614 -0.806 5.895 1.00 0.00 O ATOM 807 OE2 GLU A 49 -6.490 -2.709 5.625 1.00 0.00 O ATOM 0 H GLU A 49 -7.933 -1.999 1.114 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.153 -1.584 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.428 -0.304 2.810 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.694 -0.016 3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.928 -2.628 4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.372 -2.657 3.267 1.00 0.00 H new ATOM 885 N VAL A 54 -2.147 1.336 -6.110 1.00 0.00 N ATOM 886 CA VAL A 54 -1.203 0.234 -6.037 1.00 0.00 C ATOM 887 C VAL A 54 -1.669 -0.894 -6.959 1.00 0.00 C ATOM 888 O VAL A 54 -2.466 -0.669 -7.868 1.00 0.00 O ATOM 889 CB VAL A 54 -1.032 -0.213 -4.584 1.00 0.00 C ATOM 890 CG1 VAL A 54 0.426 -0.570 -4.287 1.00 0.00 C ATOM 891 CG2 VAL A 54 -1.542 0.857 -3.617 1.00 0.00 C ATOM 0 HA VAL A 54 -0.219 0.551 -6.383 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.633 -1.111 -4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.519 -0.884 -3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.742 -1.382 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.057 0.302 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.409 0.514 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.981 1.780 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.600 1.041 -3.803 1.00 0.00 H new ATOM 901 N ALA A 55 -1.153 -2.085 -6.692 1.00 0.00 N ATOM 902 CA ALA A 55 -1.506 -3.249 -7.486 1.00 0.00 C ATOM 903 C ALA A 55 -0.438 -4.330 -7.303 1.00 0.00 C ATOM 904 O ALA A 55 0.736 -4.020 -7.110 1.00 0.00 O ATOM 905 CB ALA A 55 -1.673 -2.837 -8.950 1.00 0.00 C ATOM 0 H ALA A 55 -0.493 -2.269 -5.936 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.457 -3.666 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.938 -3.710 -9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.463 -2.090 -9.030 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.737 -2.417 -9.319 1.00 0.00 H new ATOM 911 N ARG A 56 -0.885 -5.575 -7.369 1.00 0.00 N ATOM 912 CA ARG A 56 0.017 -6.703 -7.212 1.00 0.00 C ATOM 913 C ARG A 56 1.403 -6.354 -7.758 1.00 0.00 C ATOM 914 O ARG A 56 2.413 -6.599 -7.100 1.00 0.00 O ATOM 915 CB ARG A 56 -0.514 -7.939 -7.941 1.00 0.00 C ATOM 916 CG ARG A 56 -1.435 -7.540 -9.097 1.00 0.00 C ATOM 917 CD ARG A 56 -1.542 -8.667 -10.126 1.00 0.00 C ATOM 918 NE ARG A 56 -2.958 -9.056 -10.305 1.00 0.00 N ATOM 919 CZ ARG A 56 -3.400 -9.857 -11.285 1.00 0.00 C ATOM 920 NH1 ARG A 56 -2.538 -10.358 -12.180 1.00 0.00 N ATOM 921 NH2 ARG A 56 -4.703 -10.156 -11.370 1.00 0.00 N ATOM 0 H ARG A 56 -1.860 -5.828 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 56 0.087 -6.926 -6.147 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.321 -8.527 -8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.057 -8.573 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.426 -7.300 -8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.053 -6.639 -9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.122 -8.342 -11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.959 -9.527 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.641 -8.692 -9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.546 -10.130 -12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.874 -10.967 -12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.359 -9.774 -10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.039 -10.765 -12.116 1.00 0.00 H new ATOM 935 N ARG A 57 1.407 -5.788 -8.956 1.00 0.00 N ATOM 936 CA ARG A 57 2.652 -5.402 -9.598 1.00 0.00 C ATOM 937 C ARG A 57 3.384 -4.358 -8.752 1.00 0.00 C ATOM 938 O ARG A 57 4.550 -4.542 -8.406 1.00 0.00 O ATOM 939 CB ARG A 57 2.398 -4.830 -10.994 1.00 0.00 C ATOM 940 CG ARG A 57 3.715 -4.500 -11.699 1.00 0.00 C ATOM 941 CD ARG A 57 4.453 -5.776 -12.108 1.00 0.00 C ATOM 942 NE ARG A 57 4.772 -5.736 -13.552 1.00 0.00 N ATOM 943 CZ ARG A 57 5.685 -4.922 -14.098 1.00 0.00 C ATOM 944 NH1 ARG A 57 6.376 -4.075 -13.323 1.00 0.00 N ATOM 945 NH2 ARG A 57 5.907 -4.954 -15.419 1.00 0.00 N ATOM 0 H ARG A 57 0.567 -5.587 -9.499 1.00 0.00 H new ATOM 0 HA ARG A 57 3.268 -6.296 -9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.833 -5.549 -11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.787 -3.930 -10.917 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.517 -3.892 -12.581 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.347 -3.906 -11.038 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.370 -5.877 -11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.838 -6.648 -11.887 1.00 0.00 H new ATOM 0 HE ARG A 57 4.265 -6.368 -14.171 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.207 -4.050 -12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.071 -3.455 -13.739 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.381 -5.598 -16.009 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.602 -4.334 -15.834 1.00 0.00 H new ATOM 959 N THR A 58 2.670 -3.286 -8.444 1.00 0.00 N ATOM 960 CA THR A 58 3.237 -2.213 -7.645 1.00 0.00 C ATOM 961 C THR A 58 3.667 -2.739 -6.274 1.00 0.00 C ATOM 962 O THR A 58 4.755 -2.420 -5.797 1.00 0.00 O ATOM 963 CB THR A 58 2.206 -1.085 -7.567 1.00 0.00 C ATOM 964 OG1 THR A 58 2.374 -0.376 -8.792 1.00 0.00 O ATOM 965 CG2 THR A 58 2.546 -0.054 -6.489 1.00 0.00 C ATOM 0 H THR A 58 1.703 -3.137 -8.733 1.00 0.00 H new ATOM 0 HA THR A 58 4.142 -1.814 -8.104 1.00 0.00 H new ATOM 0 HB THR A 58 1.221 -1.507 -7.367 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.742 0.372 -8.826 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.783 0.724 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.582 -0.543 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.516 0.393 -6.706 1.00 0.00 H new ATOM 973 N VAL A 59 2.791 -3.535 -5.680 1.00 0.00 N ATOM 974 CA VAL A 59 3.067 -4.108 -4.373 1.00 0.00 C ATOM 975 C VAL A 59 4.343 -4.949 -4.449 1.00 0.00 C ATOM 976 O VAL A 59 5.188 -4.881 -3.558 1.00 0.00 O ATOM 977 CB VAL A 59 1.855 -4.905 -3.885 1.00 0.00 C ATOM 978 CG1 VAL A 59 1.928 -5.143 -2.375 1.00 0.00 C ATOM 979 CG2 VAL A 59 0.549 -4.205 -4.267 1.00 0.00 C ATOM 0 H VAL A 59 1.890 -3.797 -6.079 1.00 0.00 H new ATOM 0 HA VAL A 59 3.239 -3.321 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 59 1.871 -5.877 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.055 -5.711 -2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.833 -5.703 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.948 -4.185 -1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.297 -4.792 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.521 -3.214 -3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.491 -4.110 -5.351 1.00 0.00 H new ATOM 989 N ALA A 60 4.443 -5.721 -5.521 1.00 0.00 N ATOM 990 CA ALA A 60 5.602 -6.573 -5.724 1.00 0.00 C ATOM 991 C ALA A 60 6.863 -5.709 -5.773 1.00 0.00 C ATOM 992 O ALA A 60 7.878 -6.050 -5.167 1.00 0.00 O ATOM 993 CB ALA A 60 5.411 -7.399 -6.998 1.00 0.00 C ATOM 0 H ALA A 60 3.740 -5.774 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 60 5.714 -7.272 -4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.280 -8.038 -7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.519 -8.017 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.298 -6.731 -7.851 1.00 0.00 H new ATOM 999 N LYS A 61 6.758 -4.606 -6.500 1.00 0.00 N ATOM 1000 CA LYS A 61 7.878 -3.690 -6.635 1.00 0.00 C ATOM 1001 C LYS A 61 8.210 -3.091 -5.267 1.00 0.00 C ATOM 1002 O LYS A 61 9.379 -2.972 -4.905 1.00 0.00 O ATOM 1003 CB LYS A 61 7.585 -2.642 -7.711 1.00 0.00 C ATOM 1004 CG LYS A 61 8.413 -2.902 -8.971 1.00 0.00 C ATOM 1005 CD LYS A 61 7.783 -2.228 -10.191 1.00 0.00 C ATOM 1006 CE LYS A 61 8.572 -0.982 -10.598 1.00 0.00 C ATOM 1007 NZ LYS A 61 9.050 -1.105 -11.993 1.00 0.00 N ATOM 0 H LYS A 61 5.915 -4.326 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 61 8.767 -4.222 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.524 -2.658 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.807 -1.647 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.427 -2.528 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.491 -3.975 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.752 -2.931 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.752 -1.953 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.943 -0.097 -10.499 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.420 -0.846 -9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.584 -0.251 -12.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.667 -1.938 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.236 -1.212 -12.631 1.00 0.00 H new ATOM 1021 N TYR A 62 7.160 -2.728 -4.545 1.00 0.00 N ATOM 1022 CA TYR A 62 7.326 -2.145 -3.225 1.00 0.00 C ATOM 1023 C TYR A 62 7.978 -3.140 -2.263 1.00 0.00 C ATOM 1024 O TYR A 62 8.847 -2.769 -1.475 1.00 0.00 O ATOM 1025 CB TYR A 62 5.916 -1.821 -2.726 1.00 0.00 C ATOM 1026 CG TYR A 62 5.452 -0.400 -3.050 1.00 0.00 C ATOM 1027 CD1 TYR A 62 6.334 0.656 -2.939 1.00 0.00 C ATOM 1028 CD2 TYR A 62 4.151 -0.173 -3.453 1.00 0.00 C ATOM 1029 CE1 TYR A 62 5.897 1.994 -3.244 1.00 0.00 C ATOM 1030 CE2 TYR A 62 3.715 1.165 -3.758 1.00 0.00 C ATOM 1031 CZ TYR A 62 4.609 2.182 -3.638 1.00 0.00 C ATOM 1032 OH TYR A 62 4.197 3.446 -3.926 1.00 0.00 O ATOM 0 H TYR A 62 6.191 -2.826 -4.849 1.00 0.00 H new ATOM 0 HA TYR A 62 7.965 -1.264 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.214 -2.530 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.882 -1.966 -1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.352 0.479 -2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.460 -0.999 -3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.577 2.829 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.700 1.356 -4.075 1.00 0.00 H new ATOM 0 HH TYR A 62 4.595 4.073 -3.287 1.00 0.00 H new ATOM 1042 N ARG A 63 7.534 -4.384 -2.359 1.00 0.00 N ATOM 1043 CA ARG A 63 8.063 -5.436 -1.507 1.00 0.00 C ATOM 1044 C ARG A 63 9.593 -5.407 -1.518 1.00 0.00 C ATOM 1045 O ARG A 63 10.227 -5.562 -0.475 1.00 0.00 O ATOM 1046 CB ARG A 63 7.582 -6.813 -1.969 1.00 0.00 C ATOM 1047 CG ARG A 63 7.056 -7.634 -0.789 1.00 0.00 C ATOM 1048 CD ARG A 63 7.747 -8.997 -0.719 1.00 0.00 C ATOM 1049 NE ARG A 63 8.662 -9.042 0.443 1.00 0.00 N ATOM 1050 CZ ARG A 63 8.280 -9.353 1.689 1.00 0.00 C ATOM 1051 NH1 ARG A 63 6.997 -9.649 1.942 1.00 0.00 N ATOM 1052 NH2 ARG A 63 9.179 -9.368 2.682 1.00 0.00 N ATOM 0 H ARG A 63 6.813 -4.688 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 63 7.700 -5.258 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.796 -6.696 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.402 -7.346 -2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.223 -7.090 0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.979 -7.773 -0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.002 -9.788 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.304 -9.179 -1.638 1.00 0.00 H new ATOM 0 HE ARG A 63 9.646 -8.822 0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.312 -9.637 1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.706 -9.886 2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.155 -9.143 2.490 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.887 -9.605 3.630 1.00 0.00 H new ATOM 1066 N GLU A 64 10.141 -5.209 -2.707 1.00 0.00 N ATOM 1067 CA GLU A 64 11.584 -5.159 -2.867 1.00 0.00 C ATOM 1068 C GLU A 64 12.141 -3.868 -2.262 1.00 0.00 C ATOM 1069 O GLU A 64 13.196 -3.880 -1.629 1.00 0.00 O ATOM 1070 CB GLU A 64 11.978 -5.287 -4.340 1.00 0.00 C ATOM 1071 CG GLU A 64 13.259 -6.108 -4.496 1.00 0.00 C ATOM 1072 CD GLU A 64 14.446 -5.211 -4.853 1.00 0.00 C ATOM 1073 OE1 GLU A 64 14.506 -4.098 -4.287 1.00 0.00 O ATOM 1074 OE2 GLU A 64 15.266 -5.658 -5.683 1.00 0.00 O ATOM 0 H GLU A 64 9.612 -5.081 -3.569 1.00 0.00 H new ATOM 0 HA GLU A 64 12.018 -6.005 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.169 -5.760 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 64 12.123 -4.295 -4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.468 -6.642 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.121 -6.860 -5.273 1.00 0.00 H new ATOM 1081 N MET A 65 11.406 -2.787 -2.476 1.00 0.00 N ATOM 1082 CA MET A 65 11.813 -1.491 -1.960 1.00 0.00 C ATOM 1083 C MET A 65 11.727 -1.459 -0.432 1.00 0.00 C ATOM 1084 O MET A 65 12.583 -0.874 0.229 1.00 0.00 O ATOM 1085 CB MET A 65 10.912 -0.402 -2.545 1.00 0.00 C ATOM 1086 CG MET A 65 11.052 -0.335 -4.068 1.00 0.00 C ATOM 1087 SD MET A 65 10.100 1.033 -4.708 1.00 0.00 S ATOM 1088 CE MET A 65 8.853 0.141 -5.622 1.00 0.00 C ATOM 0 H MET A 65 10.531 -2.782 -3.000 1.00 0.00 H new ATOM 0 HA MET A 65 12.848 -1.313 -2.252 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.874 -0.602 -2.280 1.00 0.00 H new ATOM 0 HB3 MET A 65 11.172 0.563 -2.109 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.101 -0.218 -4.340 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.709 -1.268 -4.515 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.461 0.775 -6.417 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.293 -0.756 -6.057 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.042 -0.142 -4.951 1.00 0.00 H new ATOM 1098 N LEU A 66 10.684 -2.094 0.083 1.00 0.00 N ATOM 1099 CA LEU A 66 10.475 -2.145 1.520 1.00 0.00 C ATOM 1100 C LEU A 66 11.645 -2.881 2.176 1.00 0.00 C ATOM 1101 O LEU A 66 12.370 -2.305 2.986 1.00 0.00 O ATOM 1102 CB LEU A 66 9.108 -2.753 1.841 1.00 0.00 C ATOM 1103 CG LEU A 66 7.926 -1.782 1.844 1.00 0.00 C ATOM 1104 CD1 LEU A 66 8.218 -0.565 2.725 1.00 0.00 C ATOM 1105 CD2 LEU A 66 7.544 -1.379 0.418 1.00 0.00 C ATOM 0 H LEU A 66 9.975 -2.577 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 66 10.457 -1.139 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.904 -3.541 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.165 -3.228 2.820 1.00 0.00 H new ATOM 0 HG LEU A 66 7.065 -2.293 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.362 0.109 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.404 -0.892 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.097 -0.044 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.701 -0.688 0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.393 -0.894 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.265 -2.267 -0.149 1.00 0.00 H new