USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 131:sc= 0.988 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc=-0.00603 X(o=-0.006,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.92 K(o=-1.9,f=-5.4!) USER MOD Single : A 50 MET CE :methyl -174:sc= -0.0192 (180deg=-0.0363) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -140:sc= -0.0468 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 128:sc= 1.34 USER MOD Single : A 76 ASN : amide:sc= -11.2! C(o=-11!,f=-19!) USER MOD Single : A 77 TYR OH : rot 12:sc= 0.475 USER MOD Single : A 83 SER OG : rot -51:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.363 -8.787 -15.372 1.00 0.00 N ATOM 324 CA ILE A 26 -2.609 -7.554 -15.521 1.00 0.00 C ATOM 325 C ILE A 26 -1.544 -7.480 -14.425 1.00 0.00 C ATOM 326 O ILE A 26 -1.835 -7.089 -13.296 1.00 0.00 O ATOM 327 CB ILE A 26 -3.551 -6.349 -15.546 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.363 -6.316 -16.842 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.781 -5.047 -15.318 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.557 -5.683 -17.978 1.00 0.00 C ATOM 0 HA ILE A 26 -2.086 -7.539 -16.477 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.260 -6.451 -14.724 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.654 -7.329 -17.119 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.282 -5.752 -16.685 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.474 -4.206 -15.341 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.285 -5.083 -14.348 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.035 -4.923 -16.103 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.157 -5.672 -18.888 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.288 -4.662 -17.708 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.651 -6.264 -18.149 1.00 0.00 H new ATOM 342 N ILE A 27 -0.330 -7.861 -14.797 1.00 0.00 N ATOM 343 CA ILE A 27 0.780 -7.841 -13.859 1.00 0.00 C ATOM 344 C ILE A 27 1.437 -6.460 -13.883 1.00 0.00 C ATOM 345 O ILE A 27 1.793 -5.955 -14.946 1.00 0.00 O ATOM 346 CB ILE A 27 1.750 -8.988 -14.154 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.992 -10.285 -14.445 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.761 -9.156 -13.019 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.372 -10.856 -13.167 1.00 0.00 C ATOM 0 H ILE A 27 -0.091 -8.185 -15.734 1.00 0.00 H new ATOM 0 HA ILE A 27 0.423 -8.008 -12.843 1.00 0.00 H new ATOM 0 HB ILE A 27 2.314 -8.737 -15.052 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.210 -10.096 -15.180 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.671 -11.017 -14.883 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.438 -9.977 -13.254 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.333 -8.236 -12.902 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.233 -9.375 -12.091 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.161 -11.777 -13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.159 -11.066 -12.443 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.324 -10.131 -12.745 1.00 0.00 H new ATOM 361 N VAL A 28 1.577 -5.887 -12.696 1.00 0.00 N ATOM 362 CA VAL A 28 2.184 -4.573 -12.566 1.00 0.00 C ATOM 363 C VAL A 28 3.187 -4.591 -11.411 1.00 0.00 C ATOM 364 O VAL A 28 2.847 -4.984 -10.296 1.00 0.00 O ATOM 365 CB VAL A 28 1.098 -3.508 -12.398 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.155 -3.492 -13.603 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.321 -3.718 -11.097 1.00 0.00 C ATOM 0 H VAL A 28 1.280 -6.309 -11.816 1.00 0.00 H new ATOM 0 HA VAL A 28 2.735 -4.316 -13.471 1.00 0.00 H new ATOM 0 HB VAL A 28 1.588 -2.536 -12.343 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.607 -2.726 -13.458 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.723 -3.272 -14.507 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.324 -4.466 -13.703 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.445 -2.948 -11.002 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.152 -4.700 -11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.005 -3.656 -10.251 1.00 0.00 H new ATOM 377 N VAL A 29 4.402 -4.163 -11.717 1.00 0.00 N ATOM 378 CA VAL A 29 5.456 -4.126 -10.718 1.00 0.00 C ATOM 379 C VAL A 29 5.392 -2.795 -9.965 1.00 0.00 C ATOM 380 O VAL A 29 5.252 -1.738 -10.577 1.00 0.00 O ATOM 381 CB VAL A 29 6.814 -4.373 -11.380 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.366 -3.086 -11.996 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.807 -4.976 -10.385 1.00 0.00 C ATOM 0 H VAL A 29 4.681 -3.839 -12.643 1.00 0.00 H new ATOM 0 HA VAL A 29 5.316 -4.922 -9.986 1.00 0.00 H new ATOM 0 HB VAL A 29 6.669 -5.093 -12.185 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.331 -3.289 -12.460 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.672 -2.717 -12.751 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.489 -2.333 -11.217 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.764 -5.142 -10.881 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.946 -4.291 -9.549 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.421 -5.926 -10.016 1.00 0.00 H new ATOM 393 N ALA A 30 5.498 -2.891 -8.647 1.00 0.00 N ATOM 394 CA ALA A 30 5.454 -1.709 -7.804 1.00 0.00 C ATOM 395 C ALA A 30 6.656 -0.817 -8.121 1.00 0.00 C ATOM 396 O ALA A 30 7.802 -1.249 -8.007 1.00 0.00 O ATOM 397 CB ALA A 30 5.412 -2.131 -6.335 1.00 0.00 C ATOM 0 H ALA A 30 5.614 -3.770 -8.143 1.00 0.00 H new ATOM 0 HA ALA A 30 4.552 -1.129 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.379 -1.244 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.524 -2.738 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.303 -2.713 -6.098 1.00 0.00 H new ATOM 403 N LEU A 31 6.353 0.412 -8.514 1.00 0.00 N ATOM 404 CA LEU A 31 7.395 1.368 -8.849 1.00 0.00 C ATOM 405 C LEU A 31 8.027 1.898 -7.560 1.00 0.00 C ATOM 406 O LEU A 31 9.169 2.355 -7.568 1.00 0.00 O ATOM 407 CB LEU A 31 6.841 2.466 -9.759 1.00 0.00 C ATOM 408 CG LEU A 31 6.467 2.036 -11.178 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.122 3.248 -12.046 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.573 1.181 -11.802 1.00 0.00 C ATOM 0 H LEU A 31 5.402 0.767 -8.608 1.00 0.00 H new ATOM 0 HA LEU A 31 8.189 0.884 -9.418 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.957 2.891 -9.285 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.582 3.263 -9.826 1.00 0.00 H new ATOM 0 HG LEU A 31 5.573 1.415 -11.121 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.860 2.914 -13.050 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.277 3.780 -11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.983 3.915 -12.099 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.281 0.889 -12.811 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.498 1.756 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.728 0.288 -11.196 1.00 0.00 H new ATOM 422 N TYR A 32 7.258 1.818 -6.485 1.00 0.00 N ATOM 423 CA TYR A 32 7.728 2.283 -5.191 1.00 0.00 C ATOM 424 C TYR A 32 7.050 1.519 -4.053 1.00 0.00 C ATOM 425 O TYR A 32 5.917 1.063 -4.195 1.00 0.00 O ATOM 426 CB TYR A 32 7.333 3.759 -5.104 1.00 0.00 C ATOM 427 CG TYR A 32 7.399 4.500 -6.441 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.600 5.010 -6.890 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.255 4.659 -7.199 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.661 5.707 -8.148 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.317 5.357 -8.457 1.00 0.00 C ATOM 432 CZ TYR A 32 7.517 5.846 -8.870 1.00 0.00 C ATOM 433 OH TYR A 32 7.575 6.506 -10.059 1.00 0.00 O ATOM 0 H TYR A 32 6.312 1.438 -6.483 1.00 0.00 H new ATOM 0 HA TYR A 32 8.803 2.131 -5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.319 3.831 -4.710 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.988 4.259 -4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.494 4.886 -6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.315 4.260 -6.848 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.595 6.111 -8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.430 5.489 -9.059 1.00 0.00 H new ATOM 0 HH TYR A 32 6.683 6.528 -10.465 1.00 0.00 H new ATOM 443 N ASP A 33 7.773 1.401 -2.949 1.00 0.00 N ATOM 444 CA ASP A 33 7.256 0.699 -1.787 1.00 0.00 C ATOM 445 C ASP A 33 5.935 1.340 -1.354 1.00 0.00 C ATOM 446 O ASP A 33 5.775 2.557 -1.440 1.00 0.00 O ATOM 447 CB ASP A 33 8.231 0.786 -0.611 1.00 0.00 C ATOM 448 CG ASP A 33 8.455 2.196 -0.059 1.00 0.00 C ATOM 449 OD1 ASP A 33 8.238 3.150 -0.836 1.00 0.00 O ATOM 450 OD2 ASP A 33 8.836 2.287 1.128 1.00 0.00 O ATOM 0 H ASP A 33 8.713 1.780 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 33 7.114 -0.346 -2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.862 0.151 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.192 0.378 -0.924 1.00 0.00 H new ATOM 455 N TYR A 34 5.024 0.494 -0.899 1.00 0.00 N ATOM 456 CA TYR A 34 3.723 0.964 -0.454 1.00 0.00 C ATOM 457 C TYR A 34 3.219 0.139 0.732 1.00 0.00 C ATOM 458 O TYR A 34 3.225 -1.090 0.685 1.00 0.00 O ATOM 459 CB TYR A 34 2.774 0.764 -1.637 1.00 0.00 C ATOM 460 CG TYR A 34 1.376 1.343 -1.419 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.153 2.694 -1.597 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.337 0.516 -1.043 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.164 3.239 -1.391 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.980 1.062 -0.838 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.165 2.397 -1.022 1.00 0.00 C ATOM 466 OH TYR A 34 -2.409 2.912 -0.828 1.00 0.00 O ATOM 0 H TYR A 34 5.160 -0.514 -0.829 1.00 0.00 H new ATOM 0 HA TYR A 34 3.780 2.005 -0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.212 1.224 -2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.686 -0.303 -1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.966 3.342 -1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.511 -0.541 -0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.352 4.294 -1.527 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.802 0.426 -0.545 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.067 2.368 -1.310 1.00 0.00 H new ATOM 476 N GLU A 35 2.796 0.847 1.769 1.00 0.00 N ATOM 477 CA GLU A 35 2.289 0.197 2.965 1.00 0.00 C ATOM 478 C GLU A 35 0.865 0.668 3.263 1.00 0.00 C ATOM 479 O GLU A 35 0.602 1.228 4.326 1.00 0.00 O ATOM 480 CB GLU A 35 3.212 0.451 4.159 1.00 0.00 C ATOM 481 CG GLU A 35 3.824 -0.856 4.666 1.00 0.00 C ATOM 482 CD GLU A 35 3.933 -0.855 6.192 1.00 0.00 C ATOM 483 OE1 GLU A 35 2.863 -0.824 6.838 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.084 -0.885 6.679 1.00 0.00 O ATOM 0 H GLU A 35 2.794 1.866 1.805 1.00 0.00 H new ATOM 0 HA GLU A 35 2.265 -0.878 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.005 1.140 3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.651 0.930 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.212 -1.698 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.812 -0.993 4.227 1.00 0.00 H new ATOM 491 N ALA A 36 -0.018 0.422 2.306 1.00 0.00 N ATOM 492 CA ALA A 36 -1.409 0.814 2.452 1.00 0.00 C ATOM 493 C ALA A 36 -1.480 2.180 3.137 1.00 0.00 C ATOM 494 O ALA A 36 -1.626 2.260 4.356 1.00 0.00 O ATOM 495 CB ALA A 36 -2.165 -0.267 3.227 1.00 0.00 C ATOM 0 H ALA A 36 0.203 -0.044 1.426 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.886 0.909 1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.209 0.027 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.109 -1.211 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.717 -0.389 4.213 1.00 0.00 H new ATOM 569 N ASP A 41 -6.744 -0.791 0.899 1.00 0.00 N ATOM 570 CA ASP A 41 -5.576 -0.713 0.039 1.00 0.00 C ATOM 571 C ASP A 41 -4.576 -1.798 0.445 1.00 0.00 C ATOM 572 O ASP A 41 -4.346 -2.024 1.632 1.00 0.00 O ATOM 573 CB ASP A 41 -4.882 0.645 0.174 1.00 0.00 C ATOM 574 CG ASP A 41 -5.381 1.723 -0.790 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.568 2.093 -0.662 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.563 2.154 -1.631 1.00 0.00 O ATOM 0 HA ASP A 41 -5.906 -0.848 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.012 1.003 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.812 0.507 0.019 1.00 0.00 H new ATOM 581 N LEU A 42 -4.006 -2.440 -0.565 1.00 0.00 N ATOM 582 CA LEU A 42 -3.036 -3.495 -0.328 1.00 0.00 C ATOM 583 C LEU A 42 -1.643 -2.878 -0.181 1.00 0.00 C ATOM 584 O LEU A 42 -1.372 -1.812 -0.732 1.00 0.00 O ATOM 585 CB LEU A 42 -3.125 -4.559 -1.423 1.00 0.00 C ATOM 586 CG LEU A 42 -2.482 -5.910 -1.099 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.363 -6.724 -0.152 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.152 -6.681 -2.379 1.00 0.00 C ATOM 0 H LEU A 42 -4.198 -2.250 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.256 -4.012 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.177 -4.726 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.658 -4.164 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.540 -5.724 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.882 -7.679 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.504 -6.173 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.332 -6.902 -0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.696 -7.637 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.067 -6.856 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.457 -6.100 -2.985 1.00 0.00 H new ATOM 600 N SER A 43 -0.798 -3.574 0.563 1.00 0.00 N ATOM 601 CA SER A 43 0.560 -3.109 0.789 1.00 0.00 C ATOM 602 C SER A 43 1.549 -3.983 0.016 1.00 0.00 C ATOM 603 O SER A 43 1.408 -5.205 -0.018 1.00 0.00 O ATOM 604 CB SER A 43 0.902 -3.112 2.280 1.00 0.00 C ATOM 605 OG SER A 43 0.716 -4.397 2.868 1.00 0.00 O ATOM 0 H SER A 43 -1.027 -4.458 1.018 1.00 0.00 H new ATOM 0 HA SER A 43 0.634 -2.083 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.937 -2.798 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.278 -2.383 2.797 1.00 0.00 H new ATOM 0 HG SER A 43 0.946 -4.358 3.820 1.00 0.00 H new ATOM 611 N PHE A 44 2.527 -3.323 -0.587 1.00 0.00 N ATOM 612 CA PHE A 44 3.539 -4.024 -1.358 1.00 0.00 C ATOM 613 C PHE A 44 4.900 -3.337 -1.230 1.00 0.00 C ATOM 614 O PHE A 44 5.063 -2.419 -0.429 1.00 0.00 O ATOM 615 CB PHE A 44 3.095 -3.984 -2.822 1.00 0.00 C ATOM 616 CG PHE A 44 2.588 -2.614 -3.280 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.465 -1.689 -3.754 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.262 -2.323 -3.213 1.00 0.00 C ATOM 619 CE1 PHE A 44 2.995 -0.419 -4.179 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.792 -1.052 -3.639 1.00 0.00 C ATOM 621 CZ PHE A 44 1.669 -0.128 -4.113 1.00 0.00 C ATOM 0 H PHE A 44 2.640 -2.310 -0.557 1.00 0.00 H new ATOM 0 HA PHE A 44 3.643 -5.046 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.933 -4.280 -3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.306 -4.721 -2.972 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.519 -1.921 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.566 -3.058 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.691 0.316 -4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.261 -0.820 -3.586 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.312 0.838 -4.437 1.00 0.00 H new ATOM 631 N GLN A 45 5.842 -3.808 -2.034 1.00 0.00 N ATOM 632 CA GLN A 45 7.183 -3.251 -2.022 1.00 0.00 C ATOM 633 C GLN A 45 7.636 -2.923 -3.447 1.00 0.00 C ATOM 634 O GLN A 45 7.149 -3.517 -4.407 1.00 0.00 O ATOM 635 CB GLN A 45 8.168 -4.203 -1.340 1.00 0.00 C ATOM 636 CG GLN A 45 7.992 -4.175 0.180 1.00 0.00 C ATOM 637 CD GLN A 45 8.682 -5.375 0.833 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.873 -5.596 0.684 1.00 0.00 O ATOM 639 NE2 GLN A 45 7.870 -6.133 1.563 1.00 0.00 N ATOM 0 H GLN A 45 5.702 -4.569 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 45 7.164 -2.326 -1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.014 -5.217 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.189 -3.921 -1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.406 -3.250 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.930 -4.182 0.427 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.883 -5.890 1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.234 -6.957 2.041 1.00 0.00 H new ATOM 648 N LYS A 46 8.561 -1.979 -3.538 1.00 0.00 N ATOM 649 CA LYS A 46 9.084 -1.567 -4.829 1.00 0.00 C ATOM 650 C LYS A 46 9.778 -2.755 -5.497 1.00 0.00 C ATOM 651 O LYS A 46 10.904 -3.102 -5.140 1.00 0.00 O ATOM 652 CB LYS A 46 9.982 -0.338 -4.675 1.00 0.00 C ATOM 653 CG LYS A 46 10.503 0.134 -6.034 1.00 0.00 C ATOM 654 CD LYS A 46 11.982 -0.220 -6.209 1.00 0.00 C ATOM 655 CE LYS A 46 12.475 0.159 -7.606 1.00 0.00 C ATOM 656 NZ LYS A 46 13.704 -0.595 -7.943 1.00 0.00 N ATOM 0 H LYS A 46 8.962 -1.488 -2.739 1.00 0.00 H new ATOM 0 HA LYS A 46 8.272 -1.260 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.424 0.467 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.822 -0.576 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.919 -0.326 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.371 1.212 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.575 0.300 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.126 -1.288 -6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.699 -0.051 -8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.674 1.230 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.026 -0.326 -8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.448 -0.374 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.503 -1.615 -7.921 1.00 0.00 H new ATOM 670 N GLY A 47 9.079 -3.348 -6.454 1.00 0.00 N ATOM 671 CA GLY A 47 9.615 -4.489 -7.175 1.00 0.00 C ATOM 672 C GLY A 47 8.690 -5.702 -7.045 1.00 0.00 C ATOM 673 O GLY A 47 8.963 -6.759 -7.612 1.00 0.00 O ATOM 0 H GLY A 47 8.146 -3.059 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.740 -4.233 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.603 -4.737 -6.788 1.00 0.00 H new ATOM 677 N ASP A 48 7.615 -5.509 -6.294 1.00 0.00 N ATOM 678 CA ASP A 48 6.649 -6.573 -6.083 1.00 0.00 C ATOM 679 C ASP A 48 5.657 -6.595 -7.247 1.00 0.00 C ATOM 680 O ASP A 48 5.301 -5.547 -7.783 1.00 0.00 O ATOM 681 CB ASP A 48 5.859 -6.350 -4.792 1.00 0.00 C ATOM 682 CG ASP A 48 5.727 -7.582 -3.894 1.00 0.00 C ATOM 683 OD1 ASP A 48 6.505 -8.534 -4.119 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.851 -7.544 -3.003 1.00 0.00 O ATOM 0 H ASP A 48 7.392 -4.631 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 48 7.194 -7.515 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.339 -5.554 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.860 -5.999 -5.051 1.00 0.00 H new ATOM 689 N GLN A 49 5.239 -7.800 -7.604 1.00 0.00 N ATOM 690 CA GLN A 49 4.294 -7.972 -8.695 1.00 0.00 C ATOM 691 C GLN A 49 2.916 -8.350 -8.149 1.00 0.00 C ATOM 692 O GLN A 49 2.810 -9.160 -7.230 1.00 0.00 O ATOM 693 CB GLN A 49 4.795 -9.017 -9.694 1.00 0.00 C ATOM 694 CG GLN A 49 6.103 -8.568 -10.348 1.00 0.00 C ATOM 695 CD GLN A 49 5.910 -8.326 -11.847 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.324 -9.109 -12.687 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.263 -7.201 -12.134 1.00 0.00 N ATOM 0 H GLN A 49 5.537 -8.667 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 49 4.204 -7.024 -9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.947 -9.969 -9.185 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.039 -9.183 -10.461 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.458 -7.654 -9.871 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.870 -9.327 -10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.944 -6.590 -11.382 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.086 -6.948 -13.106 1.00 0.00 H new ATOM 706 N MET A 50 1.895 -7.746 -8.739 1.00 0.00 N ATOM 707 CA MET A 50 0.529 -8.009 -8.323 1.00 0.00 C ATOM 708 C MET A 50 -0.357 -8.341 -9.527 1.00 0.00 C ATOM 709 O MET A 50 -0.110 -7.865 -10.634 1.00 0.00 O ATOM 710 CB MET A 50 -0.032 -6.782 -7.601 1.00 0.00 C ATOM 711 CG MET A 50 0.869 -6.377 -6.432 1.00 0.00 C ATOM 712 SD MET A 50 0.450 -4.732 -5.882 1.00 0.00 S ATOM 713 CE MET A 50 1.829 -3.819 -6.554 1.00 0.00 C ATOM 0 H MET A 50 1.987 -7.075 -9.502 1.00 0.00 H new ATOM 0 HA MET A 50 0.534 -8.867 -7.650 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.121 -5.952 -8.302 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.035 -6.998 -7.234 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.754 -7.085 -5.611 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.914 -6.412 -6.738 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.782 -2.785 -6.212 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.763 -4.270 -6.218 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.786 -3.844 -7.643 1.00 0.00 H new ATOM 723 N VAL A 51 -1.369 -9.155 -9.270 1.00 0.00 N ATOM 724 CA VAL A 51 -2.292 -9.556 -10.319 1.00 0.00 C ATOM 725 C VAL A 51 -3.520 -8.643 -10.288 1.00 0.00 C ATOM 726 O VAL A 51 -4.466 -8.895 -9.543 1.00 0.00 O ATOM 727 CB VAL A 51 -2.645 -11.037 -10.167 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.788 -11.427 -11.108 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.417 -11.919 -10.400 1.00 0.00 C ATOM 0 H VAL A 51 -1.571 -9.548 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.828 -9.445 -11.299 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.984 -11.198 -9.144 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.020 -12.484 -10.980 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.671 -10.831 -10.875 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.489 -11.243 -12.140 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.695 -12.967 -10.286 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.035 -11.752 -11.407 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.645 -11.667 -9.673 1.00 0.00 H new ATOM 739 N VAL A 52 -3.465 -7.602 -11.105 1.00 0.00 N ATOM 740 CA VAL A 52 -4.560 -6.651 -11.181 1.00 0.00 C ATOM 741 C VAL A 52 -5.825 -7.372 -11.651 1.00 0.00 C ATOM 742 O VAL A 52 -5.814 -8.043 -12.682 1.00 0.00 O ATOM 743 CB VAL A 52 -4.172 -5.476 -12.083 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.414 -4.751 -12.603 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.237 -4.510 -11.353 1.00 0.00 C ATOM 0 H VAL A 52 -2.678 -7.396 -11.721 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.771 -6.233 -10.197 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.634 -5.876 -12.942 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.110 -3.921 -13.241 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.027 -5.445 -13.178 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.992 -4.369 -11.761 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.977 -3.685 -12.016 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.737 -4.120 -10.467 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.330 -5.036 -11.056 1.00 0.00 H new ATOM 755 N LEU A 53 -6.884 -7.208 -10.872 1.00 0.00 N ATOM 756 CA LEU A 53 -8.154 -7.836 -11.195 1.00 0.00 C ATOM 757 C LEU A 53 -9.144 -6.765 -11.660 1.00 0.00 C ATOM 758 O LEU A 53 -9.771 -6.908 -12.708 1.00 0.00 O ATOM 759 CB LEU A 53 -8.657 -8.667 -10.013 1.00 0.00 C ATOM 760 CG LEU A 53 -7.598 -9.473 -9.260 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.176 -10.081 -7.981 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.971 -10.536 -10.167 1.00 0.00 C ATOM 0 H LEU A 53 -6.889 -6.650 -10.018 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.033 -8.538 -12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.146 -7.997 -9.306 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.418 -9.357 -10.377 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.801 -8.792 -8.960 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.401 -10.649 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.536 -9.284 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.003 -10.744 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.221 -11.095 -9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.746 -11.218 -10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.499 -10.052 -11.022 1.00 0.00 H new ATOM 774 N GLU A 54 -9.252 -5.717 -10.857 1.00 0.00 N ATOM 775 CA GLU A 54 -10.154 -4.623 -11.173 1.00 0.00 C ATOM 776 C GLU A 54 -9.377 -3.451 -11.776 1.00 0.00 C ATOM 777 O GLU A 54 -8.179 -3.563 -12.032 1.00 0.00 O ATOM 778 CB GLU A 54 -10.936 -4.182 -9.935 1.00 0.00 C ATOM 779 CG GLU A 54 -12.073 -5.159 -9.627 1.00 0.00 C ATOM 780 CD GLU A 54 -13.437 -4.485 -9.796 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.588 -3.368 -9.256 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.296 -5.101 -10.462 1.00 0.00 O ATOM 0 H GLU A 54 -8.730 -5.602 -9.988 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.874 -4.975 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.264 -4.119 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.343 -3.183 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.005 -6.022 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.971 -5.531 -8.608 1.00 0.00 H new ATOM 822 N GLU A 58 -7.792 4.615 -11.317 1.00 0.00 N ATOM 823 CA GLU A 58 -6.387 4.640 -10.944 1.00 0.00 C ATOM 824 C GLU A 58 -6.044 3.419 -10.090 1.00 0.00 C ATOM 825 O GLU A 58 -5.273 2.558 -10.512 1.00 0.00 O ATOM 826 CB GLU A 58 -6.036 5.937 -10.214 1.00 0.00 C ATOM 827 CG GLU A 58 -6.773 7.130 -10.828 1.00 0.00 C ATOM 828 CD GLU A 58 -5.825 8.312 -11.037 1.00 0.00 C ATOM 829 OE1 GLU A 58 -5.667 9.091 -10.072 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.279 8.410 -12.157 1.00 0.00 O ATOM 0 HA GLU A 58 -5.788 4.602 -11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.298 5.847 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.960 6.106 -10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.212 6.839 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.594 7.429 -10.177 1.00 0.00 H new ATOM 837 N TRP A 59 -6.632 3.382 -8.903 1.00 0.00 N ATOM 838 CA TRP A 59 -6.398 2.281 -7.985 1.00 0.00 C ATOM 839 C TRP A 59 -7.074 1.035 -8.560 1.00 0.00 C ATOM 840 O TRP A 59 -8.224 1.092 -8.992 1.00 0.00 O ATOM 841 CB TRP A 59 -6.883 2.629 -6.576 1.00 0.00 C ATOM 842 CG TRP A 59 -6.412 3.996 -6.076 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.912 5.201 -6.376 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.319 4.250 -5.167 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.225 6.210 -5.731 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.225 5.612 -4.974 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.438 3.357 -4.532 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.266 6.204 -4.144 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.485 3.964 -3.706 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.377 5.334 -3.500 1.00 0.00 C ATOM 0 H TRP A 59 -7.271 4.098 -8.556 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.331 2.083 -7.884 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.973 2.604 -6.561 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.537 1.861 -5.884 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.748 5.364 -7.040 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.416 7.210 -5.798 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.492 2.287 -4.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.214 7.274 -4.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.784 3.322 -3.193 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.612 5.726 -2.847 1.00 0.00 H new ATOM 861 N TRP A 60 -6.331 -0.062 -8.546 1.00 0.00 N ATOM 862 CA TRP A 60 -6.845 -1.321 -9.060 1.00 0.00 C ATOM 863 C TRP A 60 -6.730 -2.368 -7.950 1.00 0.00 C ATOM 864 O TRP A 60 -5.862 -2.267 -7.084 1.00 0.00 O ATOM 865 CB TRP A 60 -6.117 -1.727 -10.343 1.00 0.00 C ATOM 866 CG TRP A 60 -5.878 -0.571 -11.316 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.668 0.484 -11.553 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.732 -0.394 -12.177 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.120 1.324 -12.501 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.905 0.773 -12.892 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.589 -1.195 -12.346 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.974 1.245 -13.825 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.669 -0.710 -13.282 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.828 0.463 -14.010 1.00 0.00 C ATOM 0 H TRP A 60 -5.377 -0.105 -8.187 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.894 -1.224 -9.339 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.157 -2.170 -10.079 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.697 -2.500 -10.848 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.615 0.656 -11.064 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.531 2.190 -12.850 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.433 -2.112 -11.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.132 2.163 -14.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.772 -1.288 -13.451 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.070 0.770 -14.716 1.00 0.00 H new ATOM 885 N LYS A 61 -7.619 -3.348 -8.011 1.00 0.00 N ATOM 886 CA LYS A 61 -7.628 -4.413 -7.022 1.00 0.00 C ATOM 887 C LYS A 61 -6.794 -5.589 -7.536 1.00 0.00 C ATOM 888 O LYS A 61 -7.287 -6.416 -8.301 1.00 0.00 O ATOM 889 CB LYS A 61 -9.063 -4.791 -6.655 1.00 0.00 C ATOM 890 CG LYS A 61 -9.087 -5.835 -5.537 1.00 0.00 C ATOM 891 CD LYS A 61 -10.093 -6.946 -5.845 1.00 0.00 C ATOM 892 CE LYS A 61 -10.756 -7.456 -4.565 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.015 -8.169 -4.881 1.00 0.00 N ATOM 0 H LYS A 61 -8.338 -3.427 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.165 -4.075 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.607 -3.901 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.576 -5.182 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.093 -6.264 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.347 -5.356 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.855 -6.572 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.588 -7.769 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.075 -8.124 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.963 -6.620 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.452 -8.509 -4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.669 -7.521 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.809 -8.979 -5.500 1.00 0.00 H new ATOM 907 N ALA A 62 -5.544 -5.624 -7.096 1.00 0.00 N ATOM 908 CA ALA A 62 -4.639 -6.684 -7.502 1.00 0.00 C ATOM 909 C ALA A 62 -4.277 -7.535 -6.283 1.00 0.00 C ATOM 910 O ALA A 62 -4.437 -7.095 -5.145 1.00 0.00 O ATOM 911 CB ALA A 62 -3.406 -6.074 -8.173 1.00 0.00 C ATOM 0 H ALA A 62 -5.138 -4.935 -6.463 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.117 -7.338 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.726 -6.870 -8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.713 -5.504 -9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.899 -5.413 -7.470 1.00 0.00 H new ATOM 917 N ARG A 63 -3.796 -8.738 -6.561 1.00 0.00 N ATOM 918 CA ARG A 63 -3.410 -9.654 -5.502 1.00 0.00 C ATOM 919 C ARG A 63 -1.891 -9.830 -5.480 1.00 0.00 C ATOM 920 O ARG A 63 -1.294 -10.226 -6.480 1.00 0.00 O ATOM 921 CB ARG A 63 -4.073 -11.021 -5.687 1.00 0.00 C ATOM 922 CG ARG A 63 -3.319 -12.105 -4.914 1.00 0.00 C ATOM 923 CD ARG A 63 -2.489 -12.975 -5.859 1.00 0.00 C ATOM 924 NE ARG A 63 -3.383 -13.781 -6.721 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.032 -14.945 -7.285 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.807 -15.447 -7.082 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.909 -15.608 -8.052 1.00 0.00 N ATOM 0 H ARG A 63 -3.665 -9.100 -7.506 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.743 -9.227 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.107 -10.977 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.099 -11.276 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.667 -11.642 -4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.028 -12.728 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.846 -12.346 -6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.836 -13.631 -5.283 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.324 -13.429 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.140 -14.943 -6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.541 -16.333 -7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.842 -15.226 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.643 -16.494 -8.482 1.00 0.00 H new ATOM 941 N SER A 64 -1.309 -9.528 -4.329 1.00 0.00 N ATOM 942 CA SER A 64 0.129 -9.648 -4.162 1.00 0.00 C ATOM 943 C SER A 64 0.586 -11.054 -4.558 1.00 0.00 C ATOM 944 O SER A 64 0.038 -12.046 -4.080 1.00 0.00 O ATOM 945 CB SER A 64 0.545 -9.342 -2.722 1.00 0.00 C ATOM 946 OG SER A 64 1.066 -8.022 -2.588 1.00 0.00 O ATOM 0 H SER A 64 -1.808 -9.200 -3.502 1.00 0.00 H new ATOM 0 HA SER A 64 0.610 -8.918 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.315 -9.462 -2.063 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.296 -10.063 -2.400 1.00 0.00 H new ATOM 0 HG SER A 64 1.319 -7.863 -1.655 1.00 0.00 H new ATOM 952 N LEU A 65 1.584 -11.095 -5.429 1.00 0.00 N ATOM 953 CA LEU A 65 2.121 -12.362 -5.894 1.00 0.00 C ATOM 954 C LEU A 65 3.245 -12.810 -4.957 1.00 0.00 C ATOM 955 O LEU A 65 4.189 -13.472 -5.387 1.00 0.00 O ATOM 956 CB LEU A 65 2.547 -12.258 -7.360 1.00 0.00 C ATOM 957 CG LEU A 65 1.422 -12.348 -8.393 1.00 0.00 C ATOM 958 CD1 LEU A 65 1.927 -11.972 -9.787 1.00 0.00 C ATOM 959 CD2 LEU A 65 0.771 -13.733 -8.374 1.00 0.00 C ATOM 0 H LEU A 65 2.035 -10.270 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 65 1.353 -13.135 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.067 -11.311 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.267 -13.050 -7.566 1.00 0.00 H new ATOM 0 HG LEU A 65 0.652 -11.625 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.108 -12.044 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.308 -10.951 -9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.726 -12.653 -10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.025 -13.771 -9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.520 -14.490 -8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.354 -13.926 -7.385 1.00 0.00 H new ATOM 971 N ALA A 66 3.106 -12.432 -3.695 1.00 0.00 N ATOM 972 CA ALA A 66 4.098 -12.786 -2.694 1.00 0.00 C ATOM 973 C ALA A 66 3.398 -13.427 -1.494 1.00 0.00 C ATOM 974 O ALA A 66 3.874 -14.424 -0.953 1.00 0.00 O ATOM 975 CB ALA A 66 4.900 -11.542 -2.306 1.00 0.00 C ATOM 0 H ALA A 66 2.321 -11.884 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 66 4.803 -13.515 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.644 -11.808 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.401 -11.143 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.227 -10.788 -1.898 1.00 0.00 H new ATOM 981 N THR A 67 2.280 -12.828 -1.112 1.00 0.00 N ATOM 982 CA THR A 67 1.510 -13.329 0.014 1.00 0.00 C ATOM 983 C THR A 67 0.087 -13.680 -0.426 1.00 0.00 C ATOM 984 O THR A 67 -0.701 -14.198 0.363 1.00 0.00 O ATOM 985 CB THR A 67 1.559 -12.276 1.125 1.00 0.00 C ATOM 986 OG1 THR A 67 1.130 -11.077 0.487 1.00 0.00 O ATOM 987 CG2 THR A 67 2.989 -11.967 1.574 1.00 0.00 C ATOM 0 H THR A 67 1.889 -12.000 -1.562 1.00 0.00 H new ATOM 0 HA THR A 67 1.934 -14.255 0.403 1.00 0.00 H new ATOM 0 HB THR A 67 0.976 -12.621 1.979 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.670 -10.325 0.808 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.968 -11.215 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.456 -12.876 1.952 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.563 -11.589 0.728 1.00 0.00 H new ATOM 995 N ARG A 68 -0.198 -13.384 -1.686 1.00 0.00 N ATOM 996 CA ARG A 68 -1.512 -13.663 -2.241 1.00 0.00 C ATOM 997 C ARG A 68 -2.562 -12.752 -1.602 1.00 0.00 C ATOM 998 O ARG A 68 -3.748 -13.076 -1.595 1.00 0.00 O ATOM 999 CB ARG A 68 -1.907 -15.123 -2.014 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.832 -16.072 -2.549 1.00 0.00 C ATOM 1001 CD ARG A 68 -0.293 -16.973 -1.435 1.00 0.00 C ATOM 1002 NE ARG A 68 0.452 -18.110 -2.021 1.00 0.00 N ATOM 1003 CZ ARG A 68 1.171 -18.984 -1.304 1.00 0.00 C ATOM 1004 NH1 ARG A 68 1.247 -18.859 0.028 1.00 0.00 N ATOM 1005 NH2 ARG A 68 1.815 -19.986 -1.920 1.00 0.00 N ATOM 0 H ARG A 68 0.458 -12.954 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.466 -13.474 -3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.057 -15.301 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.857 -15.328 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.248 -16.685 -3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.015 -15.495 -2.982 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.360 -16.400 -0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.117 -17.343 -0.824 1.00 0.00 H new ATOM 0 HE ARG A 68 0.416 -18.236 -3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.757 -18.098 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.795 -19.525 0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.757 -20.082 -2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.363 -20.652 -1.375 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.087 -11.631 -1.078 1.00 0.00 N ATOM 1020 CA LYS A 69 -2.971 -10.671 -0.439 1.00 0.00 C ATOM 1021 C LYS A 69 -3.765 -9.922 -1.510 1.00 0.00 C ATOM 1022 O LYS A 69 -3.218 -9.555 -2.549 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.178 -9.754 0.494 1.00 0.00 C ATOM 1024 CG LYS A 69 -1.716 -10.508 1.743 1.00 0.00 C ATOM 1025 CD LYS A 69 -0.696 -9.685 2.534 1.00 0.00 C ATOM 1026 CE LYS A 69 0.213 -10.592 3.367 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.287 -10.109 4.764 1.00 0.00 N ATOM 0 H LYS A 69 -1.102 -11.366 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.696 -11.183 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.313 -9.353 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.795 -8.904 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.575 -10.734 2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.274 -11.461 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.093 -9.091 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.217 -8.986 3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.167 -11.613 3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.212 -10.616 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.908 -10.735 5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.671 -9.142 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.665 -10.109 5.182 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.041 -9.716 -1.219 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.915 -9.017 -2.146 1.00 0.00 C ATOM 1043 C GLU A 70 -6.321 -7.658 -1.570 1.00 0.00 C ATOM 1044 O GLU A 70 -6.693 -7.562 -0.401 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.147 -9.861 -2.479 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.909 -10.707 -3.732 1.00 0.00 C ATOM 1047 CD GLU A 70 -8.130 -11.573 -4.048 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.407 -12.483 -3.237 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.759 -11.307 -5.095 1.00 0.00 O ATOM 0 H GLU A 70 -5.490 -10.020 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.369 -8.848 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.386 -10.511 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.008 -9.210 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.691 -10.056 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.036 -11.343 -3.586 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.235 -6.644 -2.417 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.589 -5.295 -2.006 1.00 0.00 C ATOM 1058 C GLY A 71 -6.249 -4.282 -3.102 1.00 0.00 C ATOM 1059 O GLY A 71 -5.464 -4.576 -4.002 1.00 0.00 O ATOM 0 H GLY A 71 -5.926 -6.728 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.654 -5.248 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.056 -5.038 -1.090 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.857 -3.111 -2.989 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.629 -2.052 -3.958 1.00 0.00 C ATOM 1065 C TYR A 72 -5.199 -1.517 -3.859 1.00 0.00 C ATOM 1066 O TYR A 72 -4.624 -1.470 -2.772 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.606 -0.932 -3.597 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.071 -1.270 -3.877 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.432 -1.831 -5.085 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.034 -1.014 -2.921 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.811 -2.150 -5.348 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.413 -1.332 -3.184 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.735 -1.884 -4.385 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.037 -2.185 -4.633 1.00 0.00 O ATOM 0 H TYR A 72 -7.508 -2.872 -2.241 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.775 -2.423 -4.973 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.495 -0.694 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.337 -0.035 -4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.680 -2.031 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.752 -0.575 -1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.106 -2.591 -6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.175 -1.137 -2.444 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.583 -1.942 -3.856 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.666 -1.129 -5.008 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.314 -0.599 -5.065 1.00 0.00 C ATOM 1086 C ILE A 73 -3.263 0.551 -6.072 1.00 0.00 C ATOM 1087 O ILE A 73 -4.047 0.588 -7.019 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.312 -1.717 -5.358 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.699 -2.481 -6.625 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.159 -2.647 -4.152 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.611 -2.358 -7.694 1.00 0.00 C ATOM 0 H ILE A 73 -5.146 -1.171 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.025 -0.189 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.338 -1.263 -5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.861 -3.532 -6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.641 -2.094 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.441 -3.433 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.804 -2.075 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.123 -3.096 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.912 -2.910 -8.584 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.469 -1.308 -7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.677 -2.768 -7.311 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.308 1.489 -5.826 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.145 2.638 -6.701 1.00 0.00 C ATOM 1105 C PRO A 74 -1.465 2.237 -8.012 1.00 0.00 C ATOM 1106 O PRO A 74 -0.477 1.504 -8.004 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.334 3.636 -5.891 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.679 2.836 -4.777 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.363 1.479 -4.715 1.00 0.00 C ATOM 0 HA PRO A 74 -3.096 3.073 -7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.584 4.126 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.973 4.420 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.388 2.718 -4.968 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.777 3.357 -3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.642 0.667 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.873 1.336 -3.762 1.00 0.00 H new ATOM 1117 N SER A 75 -2.021 2.735 -9.106 1.00 0.00 N ATOM 1118 CA SER A 75 -1.480 2.439 -10.422 1.00 0.00 C ATOM 1119 C SER A 75 -0.253 3.311 -10.692 1.00 0.00 C ATOM 1120 O SER A 75 0.641 2.918 -11.440 1.00 0.00 O ATOM 1121 CB SER A 75 -2.533 2.651 -11.511 1.00 0.00 C ATOM 1122 OG SER A 75 -1.964 3.172 -12.709 1.00 0.00 O ATOM 0 H SER A 75 -2.841 3.342 -9.109 1.00 0.00 H new ATOM 0 HA SER A 75 -1.183 1.390 -10.442 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.028 1.704 -11.727 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.299 3.335 -11.146 1.00 0.00 H new ATOM 0 HG SER A 75 -2.234 2.615 -13.469 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.249 4.480 -10.069 1.00 0.00 N ATOM 1129 CA ASN A 76 0.854 5.412 -10.233 1.00 0.00 C ATOM 1130 C ASN A 76 2.079 4.882 -9.486 1.00 0.00 C ATOM 1131 O ASN A 76 3.163 5.458 -9.577 1.00 0.00 O ATOM 1132 CB ASN A 76 0.506 6.785 -9.655 1.00 0.00 C ATOM 1133 CG ASN A 76 0.607 6.779 -8.128 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.562 5.746 -7.482 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.746 7.988 -7.591 1.00 0.00 N ATOM 0 H ASN A 76 -0.992 4.803 -9.450 1.00 0.00 H new ATOM 0 HA ASN A 76 1.056 5.510 -11.300 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.180 7.537 -10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.504 7.065 -9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.822 8.091 -6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.776 8.812 -8.191 1.00 0.00 H new ATOM 1142 N TYR A 77 1.867 3.791 -8.766 1.00 0.00 N ATOM 1143 CA TYR A 77 2.941 3.176 -8.004 1.00 0.00 C ATOM 1144 C TYR A 77 3.299 1.801 -8.572 1.00 0.00 C ATOM 1145 O TYR A 77 4.045 1.045 -7.951 1.00 0.00 O ATOM 1146 CB TYR A 77 2.404 3.004 -6.581 1.00 0.00 C ATOM 1147 CG TYR A 77 3.016 3.970 -5.564 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.047 5.323 -5.830 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.538 3.486 -4.381 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.623 6.231 -4.871 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.114 4.394 -3.424 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.128 5.722 -3.716 1.00 0.00 C ATOM 1153 OH TYR A 77 4.672 6.580 -2.811 1.00 0.00 O ATOM 0 H TYR A 77 0.967 3.316 -8.694 1.00 0.00 H new ATOM 0 HA TYR A 77 3.839 3.793 -8.040 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.323 3.142 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.592 1.981 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.640 5.701 -6.756 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.514 2.426 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.653 7.293 -5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.526 4.029 -2.495 1.00 0.00 H new ATOM 0 HH TYR A 77 4.446 7.501 -3.057 1.00 0.00 H new ATOM 1163 N VAL A 78 2.749 1.519 -9.743 1.00 0.00 N ATOM 1164 CA VAL A 78 3.001 0.248 -10.400 1.00 0.00 C ATOM 1165 C VAL A 78 3.309 0.496 -11.879 1.00 0.00 C ATOM 1166 O VAL A 78 3.123 1.605 -12.377 1.00 0.00 O ATOM 1167 CB VAL A 78 1.815 -0.696 -10.187 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.371 -0.696 -8.723 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.652 -0.333 -11.113 1.00 0.00 C ATOM 0 H VAL A 78 2.130 2.148 -10.254 1.00 0.00 H new ATOM 0 HA VAL A 78 3.872 -0.242 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 78 2.141 -1.705 -10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.527 -1.375 -8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.197 -1.025 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.072 0.311 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.178 -1.019 -10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.328 0.687 -10.907 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.976 -0.408 -12.151 1.00 0.00 H new ATOM 1179 N ALA A 79 3.774 -0.555 -12.538 1.00 0.00 N ATOM 1180 CA ALA A 79 4.109 -0.466 -13.949 1.00 0.00 C ATOM 1181 C ALA A 79 3.982 -1.849 -14.588 1.00 0.00 C ATOM 1182 O ALA A 79 4.779 -2.743 -14.305 1.00 0.00 O ATOM 1183 CB ALA A 79 5.514 0.121 -14.103 1.00 0.00 C ATOM 0 H ALA A 79 3.927 -1.473 -12.121 1.00 0.00 H new ATOM 0 HA ALA A 79 3.418 0.200 -14.466 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.766 0.188 -15.161 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.543 1.116 -13.659 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.235 -0.523 -13.598 1.00 0.00 H new ATOM 1189 N ARG A 80 2.975 -1.984 -15.438 1.00 0.00 N ATOM 1190 CA ARG A 80 2.733 -3.244 -16.119 1.00 0.00 C ATOM 1191 C ARG A 80 4.058 -3.898 -16.512 1.00 0.00 C ATOM 1192 O ARG A 80 4.973 -3.222 -16.983 1.00 0.00 O ATOM 1193 CB ARG A 80 1.882 -3.037 -17.373 1.00 0.00 C ATOM 1194 CG ARG A 80 0.403 -3.310 -17.085 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.252 -4.058 -18.248 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.421 -3.295 -18.744 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.216 -3.704 -19.741 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.974 -4.871 -20.355 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.253 -2.947 -20.125 1.00 0.00 N ATOM 0 H ARG A 80 2.317 -1.241 -15.671 1.00 0.00 H new ATOM 0 HA ARG A 80 2.193 -3.895 -15.431 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.003 -2.016 -17.734 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.230 -3.699 -18.166 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.309 -3.897 -16.171 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.118 -2.368 -16.914 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.469 -4.199 -19.053 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.566 -5.050 -17.923 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.634 -2.402 -18.298 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.185 -5.447 -20.063 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.579 -5.183 -21.114 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.437 -2.059 -19.658 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.858 -3.259 -20.884 1.00 0.00 H new ATOM 1213 N VAL A 81 4.122 -5.205 -16.305 1.00 0.00 N ATOM 1214 CA VAL A 81 5.321 -5.957 -16.633 1.00 0.00 C ATOM 1215 C VAL A 81 5.612 -5.819 -18.128 1.00 0.00 C ATOM 1216 O VAL A 81 6.771 -5.832 -18.543 1.00 0.00 O ATOM 1217 CB VAL A 81 5.165 -7.412 -16.186 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.800 -8.313 -17.368 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.431 -7.910 -15.488 1.00 0.00 C ATOM 0 H VAL A 81 3.363 -5.763 -15.914 1.00 0.00 H new ATOM 0 HA VAL A 81 6.181 -5.557 -16.096 1.00 0.00 H new ATOM 0 HB VAL A 81 4.347 -7.455 -15.467 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.695 -9.342 -17.023 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.858 -7.979 -17.803 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.586 -8.262 -18.121 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.293 -8.947 -15.181 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.275 -7.844 -16.175 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.629 -7.295 -14.610 1.00 0.00 H new ATOM 1229 N ASP A 82 4.541 -5.689 -18.898 1.00 0.00 N ATOM 1230 CA ASP A 82 4.668 -5.549 -20.338 1.00 0.00 C ATOM 1231 C ASP A 82 4.859 -4.071 -20.688 1.00 0.00 C ATOM 1232 O ASP A 82 4.777 -3.690 -21.854 1.00 0.00 O ATOM 1233 CB ASP A 82 3.408 -6.044 -21.052 1.00 0.00 C ATOM 1234 CG ASP A 82 3.654 -6.731 -22.396 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.840 -6.999 -22.688 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.652 -6.975 -23.102 1.00 0.00 O ATOM 0 H ASP A 82 3.582 -5.678 -18.551 1.00 0.00 H new ATOM 0 HA ASP A 82 5.523 -6.143 -20.660 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.886 -6.740 -20.395 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.742 -5.196 -21.211 1.00 0.00 H new ATOM 1241 N SER A 83 5.109 -3.280 -19.656 1.00 0.00 N ATOM 1242 CA SER A 83 5.313 -1.853 -19.839 1.00 0.00 C ATOM 1243 C SER A 83 6.705 -1.456 -19.344 1.00 0.00 C ATOM 1244 O SER A 83 6.911 -0.326 -18.902 1.00 0.00 O ATOM 1245 CB SER A 83 4.238 -1.045 -19.108 1.00 0.00 C ATOM 1246 OG SER A 83 4.252 0.328 -19.489 1.00 0.00 O ATOM 0 H SER A 83 5.175 -3.600 -18.690 1.00 0.00 H new ATOM 0 HA SER A 83 5.236 -1.630 -20.903 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.257 -1.470 -19.321 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.393 -1.124 -18.032 1.00 0.00 H new ATOM 0 HG SER A 83 5.164 0.679 -19.413 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.518 11.048 -5.203 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.807 11.418 -6.414 1.00 0.00 C ATOM 1380 C PRO B 124 -4.418 10.777 -6.451 1.00 0.00 C ATOM 1381 O PRO B 124 -3.413 11.470 -6.598 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.759 12.938 -6.393 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.031 13.343 -4.954 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.576 12.127 -4.222 1.00 0.00 C ATOM 0 HA PRO B 124 -6.300 11.061 -7.318 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.787 13.303 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.505 13.362 -7.066 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.117 13.697 -4.478 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.748 14.163 -4.917 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.978 11.894 -3.341 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.597 12.296 -3.879 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.406 9.458 -6.318 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.158 8.716 -6.335 1.00 0.00 C ATOM 1394 C LEU B 125 -2.274 9.186 -5.177 1.00 0.00 C ATOM 1395 O LEU B 125 -2.393 10.322 -4.722 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.487 8.826 -7.705 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.028 7.897 -8.793 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.596 8.371 -10.183 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.618 6.446 -8.530 1.00 0.00 C ATOM 0 H LEU B 125 -5.241 8.885 -6.198 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.345 7.653 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.583 9.855 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.422 8.628 -7.583 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.117 7.934 -8.763 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -2.994 7.693 -10.938 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -2.979 9.376 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.508 8.381 -10.242 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.016 5.807 -9.318 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.531 6.372 -8.517 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.015 6.124 -7.567 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.383 8.263 -4.723 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.479 8.572 -3.628 1.00 0.00 C ATOM 1413 C PRO B 126 0.654 9.488 -4.094 1.00 0.00 C ATOM 1414 O PRO B 126 0.877 9.645 -5.293 1.00 0.00 O ATOM 1415 CB PRO B 126 0.013 7.222 -3.133 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.265 6.239 -4.257 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.213 6.908 -5.239 1.00 0.00 C ATOM 0 HA PRO B 126 -0.965 9.124 -2.823 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.077 7.256 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.505 6.928 -2.220 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.663 5.956 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.707 5.324 -3.863 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.798 6.917 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.166 6.381 -5.291 1.00 0.00 H new ATOM 1425 N PRO B 127 1.358 10.085 -3.095 1.00 0.00 N ATOM 1426 CA PRO B 127 2.463 10.981 -3.390 1.00 0.00 C ATOM 1427 C PRO B 127 3.698 10.200 -3.840 1.00 0.00 C ATOM 1428 O PRO B 127 4.282 9.451 -3.059 1.00 0.00 O ATOM 1429 CB PRO B 127 2.689 11.762 -2.106 1.00 0.00 C ATOM 1430 CG PRO B 127 2.020 10.956 -1.005 1.00 0.00 C ATOM 1431 CD PRO B 127 1.122 9.923 -1.663 1.00 0.00 C ATOM 0 HA PRO B 127 2.248 11.656 -4.219 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.753 11.887 -1.907 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.258 12.761 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.769 10.468 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.438 11.609 -0.354 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.370 8.914 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.075 10.092 -1.413 1.00 0.00 H new ATOM 1439 N LEU B 128 4.059 10.399 -5.099 1.00 0.00 N ATOM 1440 CA LEU B 128 5.214 9.722 -5.664 1.00 0.00 C ATOM 1441 C LEU B 128 6.438 9.994 -4.786 1.00 0.00 C ATOM 1442 O LEU B 128 6.683 11.133 -4.391 1.00 0.00 O ATOM 1443 CB LEU B 128 5.407 10.121 -7.128 1.00 0.00 C ATOM 1444 CG LEU B 128 4.546 9.371 -8.146 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.976 9.701 -9.577 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.563 7.865 -7.876 1.00 0.00 C ATOM 0 H LEU B 128 3.571 11.020 -5.745 1.00 0.00 H new ATOM 0 HA LEU B 128 5.058 8.643 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.202 11.187 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.455 9.973 -7.389 1.00 0.00 H new ATOM 0 HG LEU B 128 3.515 9.707 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.348 9.155 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.870 10.772 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.017 9.412 -9.720 1.00 0.00 H new ATOM 0 HD21 LEU B 128 3.943 7.356 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.586 7.495 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.172 7.670 -6.877 1.00 0.00 H new ATOM 1458 N PRO B 129 7.194 8.900 -4.499 1.00 0.00 N ATOM 1459 CA PRO B 129 8.385 9.009 -3.675 1.00 0.00 C ATOM 1460 C PRO B 129 9.537 9.641 -4.459 1.00 0.00 C ATOM 1461 O PRO B 129 10.107 10.645 -4.031 1.00 0.00 O ATOM 1462 CB PRO B 129 8.684 7.588 -3.223 1.00 0.00 C ATOM 1463 CG PRO B 129 7.929 6.680 -4.181 1.00 0.00 C ATOM 1464 CD PRO B 129 6.933 7.535 -4.948 1.00 0.00 C ATOM 0 HA PRO B 129 8.243 9.664 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.754 7.385 -3.254 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.359 7.428 -2.195 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.620 6.191 -4.867 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.413 5.892 -3.633 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.074 7.438 -6.024 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.907 7.237 -4.733 1.00 0.00 H new