USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 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 Set 1.1: A 64 SER OG : rot -141:sc= 0.277 USER MOD Set 1.2: A 67 THR OG1 : rot -160:sc= -0.581 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 129:sc= 0.975 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 0.97 (180deg=0.578) USER MOD Single : A 49 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.4!) USER MOD Single : A 50 MET CE :methyl -176:sc= -0.0393 (180deg=-0.0546) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 133:sc= 0.741 USER MOD Single : A 76 ASN : amide:sc= -8.01! C(o=-8!,f=-16!) USER MOD Single : A 77 TYR OH : rot 16:sc= -0.0682 USER MOD Single : A 83 SER OG : rot -49:sc= 0.434 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.436 -8.733 -15.407 1.00 0.00 N ATOM 324 CA ILE A 26 -2.664 -7.511 -15.559 1.00 0.00 C ATOM 325 C ILE A 26 -1.604 -7.442 -14.458 1.00 0.00 C ATOM 326 O ILE A 26 -1.895 -7.025 -13.338 1.00 0.00 O ATOM 327 CB ILE A 26 -3.590 -6.295 -15.599 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.397 -6.262 -16.899 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.805 -5.000 -15.379 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.611 -5.570 -18.015 1.00 0.00 C ATOM 0 HA ILE A 26 -2.134 -7.511 -16.512 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.303 -6.382 -14.779 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.647 -7.279 -17.202 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.338 -5.738 -16.734 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.487 -4.151 -15.412 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.314 -5.033 -14.406 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.054 -4.893 -16.161 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.207 -5.560 -18.928 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.384 -4.546 -17.719 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.682 -6.110 -18.195 1.00 0.00 H new ATOM 342 N ILE A 27 -0.398 -7.856 -14.816 1.00 0.00 N ATOM 343 CA ILE A 27 0.707 -7.847 -13.872 1.00 0.00 C ATOM 344 C ILE A 27 1.369 -6.467 -13.884 1.00 0.00 C ATOM 345 O ILE A 27 1.715 -5.950 -14.944 1.00 0.00 O ATOM 346 CB ILE A 27 1.673 -8.996 -14.166 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.914 -10.297 -14.429 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.702 -9.149 -13.043 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.276 -10.829 -13.145 1.00 0.00 C ATOM 0 H ILE A 27 -0.161 -8.200 -15.747 1.00 0.00 H new ATOM 0 HA ILE A 27 0.345 -8.019 -12.858 1.00 0.00 H new ATOM 0 HB ILE A 27 2.223 -8.755 -15.076 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.142 -10.126 -15.179 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.595 -11.044 -14.837 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.376 -9.973 -13.277 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.275 -8.227 -12.947 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.188 -9.356 -12.104 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.258 -11.755 -13.360 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.053 -11.022 -12.405 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.423 -10.090 -12.753 1.00 0.00 H new ATOM 361 N VAL A 28 1.527 -5.912 -12.691 1.00 0.00 N ATOM 362 CA VAL A 28 2.141 -4.604 -12.550 1.00 0.00 C ATOM 363 C VAL A 28 3.140 -4.635 -11.391 1.00 0.00 C ATOM 364 O VAL A 28 2.796 -5.044 -10.283 1.00 0.00 O ATOM 365 CB VAL A 28 1.061 -3.533 -12.380 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.123 -3.504 -13.589 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.279 -3.746 -11.083 1.00 0.00 C ATOM 0 H VAL A 28 1.240 -6.345 -11.813 1.00 0.00 H new ATOM 0 HA VAL A 28 2.697 -4.345 -13.451 1.00 0.00 H new ATOM 0 HB VAL A 28 1.556 -2.564 -12.317 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.635 -2.735 -13.443 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.696 -3.282 -14.489 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.361 -4.475 -13.697 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.482 -2.972 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.200 -4.725 -11.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.961 -3.693 -10.234 1.00 0.00 H new ATOM 377 N VAL A 29 4.355 -4.198 -11.686 1.00 0.00 N ATOM 378 CA VAL A 29 5.405 -4.170 -10.682 1.00 0.00 C ATOM 379 C VAL A 29 5.355 -2.836 -9.935 1.00 0.00 C ATOM 380 O VAL A 29 5.178 -1.784 -10.547 1.00 0.00 O ATOM 381 CB VAL A 29 6.762 -4.439 -11.337 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.304 -3.178 -12.011 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.761 -4.990 -10.318 1.00 0.00 C ATOM 0 H VAL A 29 4.636 -3.860 -12.606 1.00 0.00 H new ATOM 0 HA VAL A 29 5.252 -4.960 -9.946 1.00 0.00 H new ATOM 0 HB VAL A 29 6.619 -5.195 -12.109 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.269 -3.396 -12.469 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.605 -2.847 -12.779 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.425 -2.391 -11.267 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.717 -5.173 -10.808 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.898 -4.266 -9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.381 -5.924 -9.904 1.00 0.00 H new ATOM 393 N ALA A 30 5.517 -2.923 -8.622 1.00 0.00 N ATOM 394 CA ALA A 30 5.492 -1.736 -7.785 1.00 0.00 C ATOM 395 C ALA A 30 6.708 -0.865 -8.109 1.00 0.00 C ATOM 396 O ALA A 30 7.847 -1.308 -7.974 1.00 0.00 O ATOM 397 CB ALA A 30 5.448 -2.150 -6.312 1.00 0.00 C ATOM 0 H ALA A 30 5.666 -3.797 -8.118 1.00 0.00 H new ATOM 0 HA ALA A 30 4.598 -1.144 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.429 -1.259 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.552 -2.743 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.331 -2.743 -6.074 1.00 0.00 H new ATOM 403 N LEU A 31 6.423 0.359 -8.528 1.00 0.00 N ATOM 404 CA LEU A 31 7.478 1.297 -8.872 1.00 0.00 C ATOM 405 C LEU A 31 8.143 1.803 -7.590 1.00 0.00 C ATOM 406 O LEU A 31 9.319 2.161 -7.595 1.00 0.00 O ATOM 407 CB LEU A 31 6.934 2.413 -9.765 1.00 0.00 C ATOM 408 CG LEU A 31 6.555 2.008 -11.190 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.317 3.239 -12.066 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.605 1.071 -11.792 1.00 0.00 C ATOM 0 H LEU A 31 5.476 0.723 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 31 8.252 0.801 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.054 2.840 -9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.682 3.204 -9.820 1.00 0.00 H new ATOM 0 HG LEU A 31 5.616 1.456 -11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.049 2.922 -13.074 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.506 3.834 -11.645 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.226 3.840 -12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.311 0.798 -12.806 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.571 1.575 -11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.682 0.171 -11.182 1.00 0.00 H new ATOM 422 N TYR A 32 7.359 1.818 -6.522 1.00 0.00 N ATOM 423 CA TYR A 32 7.856 2.275 -5.235 1.00 0.00 C ATOM 424 C TYR A 32 7.272 1.440 -4.093 1.00 0.00 C ATOM 425 O TYR A 32 6.363 0.640 -4.308 1.00 0.00 O ATOM 426 CB TYR A 32 7.380 3.721 -5.088 1.00 0.00 C ATOM 427 CG TYR A 32 7.446 4.533 -6.383 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.618 5.167 -6.741 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.334 4.631 -7.194 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.681 5.931 -7.960 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.396 5.395 -8.413 1.00 0.00 C ATOM 432 CZ TYR A 32 7.567 6.007 -8.736 1.00 0.00 C ATOM 433 OH TYR A 32 7.626 6.729 -9.888 1.00 0.00 O ATOM 0 H TYR A 32 6.383 1.521 -6.521 1.00 0.00 H new ATOM 0 HA TYR A 32 8.941 2.185 -5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.352 3.719 -4.724 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.986 4.217 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.489 5.090 -6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.417 4.134 -6.914 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.592 6.432 -8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.533 5.480 -9.056 1.00 0.00 H new ATOM 0 HH TYR A 32 6.758 6.694 -10.341 1.00 0.00 H new ATOM 443 N ASP A 33 7.819 1.654 -2.907 1.00 0.00 N ATOM 444 CA ASP A 33 7.364 0.931 -1.730 1.00 0.00 C ATOM 445 C ASP A 33 6.045 1.535 -1.245 1.00 0.00 C ATOM 446 O ASP A 33 5.904 2.755 -1.177 1.00 0.00 O ATOM 447 CB ASP A 33 8.380 1.036 -0.592 1.00 0.00 C ATOM 448 CG ASP A 33 8.868 2.455 -0.290 1.00 0.00 C ATOM 449 OD1 ASP A 33 8.142 3.160 0.444 1.00 0.00 O ATOM 450 OD2 ASP A 33 9.955 2.802 -0.799 1.00 0.00 O ATOM 0 H ASP A 33 8.574 2.318 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 33 7.239 -0.116 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.935 0.621 0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.242 0.416 -0.836 1.00 0.00 H new ATOM 455 N TYR A 34 5.111 0.652 -0.920 1.00 0.00 N ATOM 456 CA TYR A 34 3.808 1.083 -0.443 1.00 0.00 C ATOM 457 C TYR A 34 3.360 0.247 0.758 1.00 0.00 C ATOM 458 O TYR A 34 3.587 -0.961 0.797 1.00 0.00 O ATOM 459 CB TYR A 34 2.836 0.851 -1.602 1.00 0.00 C ATOM 460 CG TYR A 34 1.449 1.457 -1.382 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.269 2.822 -1.481 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.377 0.640 -1.085 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.036 3.393 -1.274 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.928 1.211 -0.878 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.071 2.559 -0.983 1.00 0.00 C ATOM 466 OH TYR A 34 -2.303 3.099 -0.788 1.00 0.00 O ATOM 0 H TYR A 34 5.231 -0.359 -0.978 1.00 0.00 H new ATOM 0 HA TYR A 34 3.841 2.126 -0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.265 1.271 -2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.731 -0.222 -1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.107 3.462 -1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.517 -0.428 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.190 4.459 -1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.775 0.583 -0.644 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.957 2.633 -1.350 1.00 0.00 H new ATOM 476 N GLU A 35 2.734 0.925 1.709 1.00 0.00 N ATOM 477 CA GLU A 35 2.252 0.260 2.907 1.00 0.00 C ATOM 478 C GLU A 35 0.805 0.667 3.195 1.00 0.00 C ATOM 479 O GLU A 35 0.506 1.192 4.267 1.00 0.00 O ATOM 480 CB GLU A 35 3.156 0.564 4.104 1.00 0.00 C ATOM 481 CG GLU A 35 3.961 -0.672 4.510 1.00 0.00 C ATOM 482 CD GLU A 35 4.062 -0.784 6.033 1.00 0.00 C ATOM 483 OE1 GLU A 35 3.034 -1.148 6.644 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.163 -0.503 6.551 1.00 0.00 O ATOM 0 H GLU A 35 2.550 1.928 1.674 1.00 0.00 H new ATOM 0 HA GLU A 35 2.279 -0.816 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.835 1.379 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.551 0.901 4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.488 -1.567 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.961 -0.617 4.079 1.00 0.00 H new ATOM 491 N ALA A 36 -0.054 0.409 2.220 1.00 0.00 N ATOM 492 CA ALA A 36 -1.461 0.743 2.356 1.00 0.00 C ATOM 493 C ALA A 36 -1.596 2.086 3.077 1.00 0.00 C ATOM 494 O ALA A 36 -1.693 2.129 4.303 1.00 0.00 O ATOM 495 CB ALA A 36 -2.185 -0.388 3.089 1.00 0.00 C ATOM 0 H ALA A 36 0.197 -0.027 1.333 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.927 0.848 1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.241 -0.138 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.085 -1.313 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.746 -0.520 4.078 1.00 0.00 H new ATOM 569 N ASP A 41 -6.764 -0.586 0.827 1.00 0.00 N ATOM 570 CA ASP A 41 -5.639 -0.647 -0.090 1.00 0.00 C ATOM 571 C ASP A 41 -4.697 -1.774 0.337 1.00 0.00 C ATOM 572 O ASP A 41 -4.693 -2.177 1.499 1.00 0.00 O ATOM 573 CB ASP A 41 -4.846 0.662 -0.078 1.00 0.00 C ATOM 574 CG ASP A 41 -5.269 1.683 -1.137 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.495 1.863 -1.295 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.354 2.261 -1.763 1.00 0.00 O ATOM 0 HA ASP A 41 -6.031 -0.822 -1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.944 1.120 0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.790 0.431 -0.219 1.00 0.00 H new ATOM 581 N LEU A 42 -3.921 -2.250 -0.626 1.00 0.00 N ATOM 582 CA LEU A 42 -2.976 -3.323 -0.363 1.00 0.00 C ATOM 583 C LEU A 42 -1.577 -2.731 -0.179 1.00 0.00 C ATOM 584 O LEU A 42 -1.284 -1.653 -0.692 1.00 0.00 O ATOM 585 CB LEU A 42 -3.055 -4.386 -1.461 1.00 0.00 C ATOM 586 CG LEU A 42 -2.446 -5.747 -1.120 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.354 -6.532 -0.170 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.126 -6.539 -2.390 1.00 0.00 C ATOM 0 H LEU A 42 -3.927 -1.913 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.229 -3.836 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.103 -4.534 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.557 -4.000 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.503 -5.578 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.898 -7.496 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.489 -5.968 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.323 -6.692 -0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.694 -7.502 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.042 -6.699 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.414 -5.980 -2.997 1.00 0.00 H new ATOM 600 N SER A 43 -0.752 -3.463 0.554 1.00 0.00 N ATOM 601 CA SER A 43 0.609 -3.024 0.812 1.00 0.00 C ATOM 602 C SER A 43 1.597 -3.901 0.039 1.00 0.00 C ATOM 603 O SER A 43 1.467 -5.124 0.023 1.00 0.00 O ATOM 604 CB SER A 43 0.926 -3.060 2.308 1.00 0.00 C ATOM 605 OG SER A 43 0.663 -4.340 2.879 1.00 0.00 O ATOM 0 H SER A 43 -0.999 -4.357 0.978 1.00 0.00 H new ATOM 0 HA SER A 43 0.705 -1.993 0.473 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.974 -2.802 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.332 -2.304 2.823 1.00 0.00 H new ATOM 0 HG SER A 43 0.880 -4.323 3.835 1.00 0.00 H new ATOM 611 N PHE A 44 2.563 -3.241 -0.583 1.00 0.00 N ATOM 612 CA PHE A 44 3.572 -3.944 -1.355 1.00 0.00 C ATOM 613 C PHE A 44 4.922 -3.228 -1.275 1.00 0.00 C ATOM 614 O PHE A 44 5.045 -2.198 -0.615 1.00 0.00 O ATOM 615 CB PHE A 44 3.098 -3.953 -2.809 1.00 0.00 C ATOM 616 CG PHE A 44 2.603 -2.595 -3.310 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.487 -1.692 -3.813 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.280 -2.289 -3.253 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.029 -0.432 -4.278 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.820 -1.029 -3.718 1.00 0.00 C ATOM 621 CZ PHE A 44 1.703 -0.126 -4.221 1.00 0.00 C ATOM 0 H PHE A 44 2.668 -2.227 -0.568 1.00 0.00 H new ATOM 0 HA PHE A 44 3.703 -4.953 -0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.917 -4.287 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.295 -4.682 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.539 -1.934 -3.859 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.578 -3.005 -2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.732 0.284 -4.677 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.232 -0.788 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.354 0.833 -4.575 1.00 0.00 H new ATOM 631 N GLN A 45 5.902 -3.801 -1.959 1.00 0.00 N ATOM 632 CA GLN A 45 7.238 -3.231 -1.974 1.00 0.00 C ATOM 633 C GLN A 45 7.694 -2.985 -3.414 1.00 0.00 C ATOM 634 O GLN A 45 7.212 -3.635 -4.341 1.00 0.00 O ATOM 635 CB GLN A 45 8.227 -4.131 -1.232 1.00 0.00 C ATOM 636 CG GLN A 45 7.973 -4.099 0.276 1.00 0.00 C ATOM 637 CD GLN A 45 8.749 -5.210 0.987 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.969 -5.255 0.977 1.00 0.00 O ATOM 639 NE2 GLN A 45 7.977 -6.101 1.603 1.00 0.00 N ATOM 0 H GLN A 45 5.797 -4.655 -2.507 1.00 0.00 H new ATOM 0 HA GLN A 45 7.209 -2.273 -1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.138 -5.154 -1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.246 -3.806 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.269 -3.130 0.678 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.907 -4.213 0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.962 -6.004 1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.400 -6.881 2.106 1.00 0.00 H new ATOM 648 N LYS A 46 8.617 -2.045 -3.557 1.00 0.00 N ATOM 649 CA LYS A 46 9.143 -1.706 -4.867 1.00 0.00 C ATOM 650 C LYS A 46 9.743 -2.958 -5.511 1.00 0.00 C ATOM 651 O LYS A 46 10.802 -3.425 -5.097 1.00 0.00 O ATOM 652 CB LYS A 46 10.124 -0.536 -4.765 1.00 0.00 C ATOM 653 CG LYS A 46 11.026 -0.467 -5.999 1.00 0.00 C ATOM 654 CD LYS A 46 11.530 0.959 -6.231 1.00 0.00 C ATOM 655 CE LYS A 46 11.742 1.230 -7.721 1.00 0.00 C ATOM 656 NZ LYS A 46 11.792 2.686 -7.981 1.00 0.00 N ATOM 0 H LYS A 46 9.014 -1.508 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 46 8.342 -1.363 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.572 0.398 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.735 -0.646 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.874 -1.140 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.476 -0.809 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.812 1.673 -5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.466 1.110 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.669 0.763 -8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.934 0.779 -8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.135 2.854 -8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.839 3.090 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.436 3.138 -7.301 1.00 0.00 H new ATOM 670 N GLY A 47 9.040 -3.463 -6.514 1.00 0.00 N ATOM 671 CA GLY A 47 9.490 -4.651 -7.219 1.00 0.00 C ATOM 672 C GLY A 47 8.507 -5.808 -7.028 1.00 0.00 C ATOM 673 O GLY A 47 8.704 -6.892 -7.573 1.00 0.00 O ATOM 0 H GLY A 47 8.162 -3.071 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.595 -4.430 -8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.475 -4.943 -6.855 1.00 0.00 H new ATOM 677 N ASP A 48 7.468 -5.538 -6.250 1.00 0.00 N ATOM 678 CA ASP A 48 6.454 -6.542 -5.980 1.00 0.00 C ATOM 679 C ASP A 48 5.474 -6.599 -7.153 1.00 0.00 C ATOM 680 O ASP A 48 5.008 -5.565 -7.629 1.00 0.00 O ATOM 681 CB ASP A 48 5.661 -6.198 -4.717 1.00 0.00 C ATOM 682 CG ASP A 48 5.103 -7.402 -3.955 1.00 0.00 C ATOM 683 OD1 ASP A 48 4.955 -8.462 -4.601 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.838 -7.235 -2.746 1.00 0.00 O ATOM 0 H ASP A 48 7.307 -4.638 -5.798 1.00 0.00 H new ATOM 0 HA ASP A 48 6.956 -7.500 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.304 -5.629 -4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.832 -5.546 -4.993 1.00 0.00 H new ATOM 689 N GLN A 49 5.189 -7.819 -7.586 1.00 0.00 N ATOM 690 CA GLN A 49 4.273 -8.025 -8.694 1.00 0.00 C ATOM 691 C GLN A 49 2.884 -8.398 -8.173 1.00 0.00 C ATOM 692 O GLN A 49 2.752 -9.266 -7.313 1.00 0.00 O ATOM 693 CB GLN A 49 4.804 -9.093 -9.653 1.00 0.00 C ATOM 694 CG GLN A 49 6.149 -8.676 -10.248 1.00 0.00 C ATOM 695 CD GLN A 49 6.052 -8.515 -11.766 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.606 -9.283 -12.535 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.320 -7.474 -12.154 1.00 0.00 N ATOM 0 H GLN A 49 5.577 -8.675 -7.189 1.00 0.00 H new ATOM 0 HA GLN A 49 4.192 -7.091 -9.251 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.914 -10.039 -9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.083 -9.258 -10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.473 -7.737 -9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.905 -9.423 -10.006 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.883 -6.870 -11.458 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.196 -7.280 -13.148 1.00 0.00 H new ATOM 706 N MET A 50 1.882 -7.721 -8.715 1.00 0.00 N ATOM 707 CA MET A 50 0.507 -7.970 -8.315 1.00 0.00 C ATOM 708 C MET A 50 -0.375 -8.257 -9.532 1.00 0.00 C ATOM 709 O MET A 50 -0.148 -7.709 -10.610 1.00 0.00 O ATOM 710 CB MET A 50 -0.036 -6.752 -7.566 1.00 0.00 C ATOM 711 CG MET A 50 0.892 -6.357 -6.415 1.00 0.00 C ATOM 712 SD MET A 50 0.476 -4.724 -5.827 1.00 0.00 S ATOM 713 CE MET A 50 1.877 -3.806 -6.445 1.00 0.00 C ATOM 0 H MET A 50 1.995 -7.000 -9.428 1.00 0.00 H new ATOM 0 HA MET A 50 0.491 -8.844 -7.664 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.143 -5.915 -8.255 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.030 -6.973 -7.177 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.804 -7.078 -5.602 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.929 -6.379 -6.750 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.814 -2.772 -6.104 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.798 -4.255 -6.074 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.875 -3.830 -7.535 1.00 0.00 H new ATOM 723 N VAL A 51 -1.362 -9.115 -9.320 1.00 0.00 N ATOM 724 CA VAL A 51 -2.278 -9.481 -10.386 1.00 0.00 C ATOM 725 C VAL A 51 -3.507 -8.570 -10.330 1.00 0.00 C ATOM 726 O VAL A 51 -4.430 -8.815 -9.556 1.00 0.00 O ATOM 727 CB VAL A 51 -2.630 -10.966 -10.286 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.823 -11.308 -11.181 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.421 -11.840 -10.627 1.00 0.00 C ATOM 0 H VAL A 51 -1.547 -9.567 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.809 -9.337 -11.360 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.914 -11.174 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.053 -12.370 -11.091 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.689 -10.722 -10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.579 -11.076 -12.218 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.698 -12.891 -10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.093 -11.626 -11.644 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.609 -11.626 -9.932 1.00 0.00 H new ATOM 739 N VAL A 52 -3.477 -7.540 -11.163 1.00 0.00 N ATOM 740 CA VAL A 52 -4.577 -6.592 -11.218 1.00 0.00 C ATOM 741 C VAL A 52 -5.847 -7.316 -11.672 1.00 0.00 C ATOM 742 O VAL A 52 -5.901 -7.845 -12.781 1.00 0.00 O ATOM 743 CB VAL A 52 -4.207 -5.413 -12.119 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.459 -4.685 -12.612 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.260 -4.450 -11.401 1.00 0.00 C ATOM 0 H VAL A 52 -2.709 -7.341 -11.805 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.774 -6.179 -10.229 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.685 -5.809 -12.990 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.167 -3.851 -13.250 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.082 -5.376 -13.180 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.021 -4.308 -11.757 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.013 -3.621 -12.064 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.744 -4.065 -10.504 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.347 -4.977 -11.123 1.00 0.00 H new ATOM 755 N LEU A 53 -6.837 -7.315 -10.792 1.00 0.00 N ATOM 756 CA LEU A 53 -8.102 -7.965 -11.089 1.00 0.00 C ATOM 757 C LEU A 53 -9.102 -6.921 -11.587 1.00 0.00 C ATOM 758 O LEU A 53 -9.690 -7.080 -12.656 1.00 0.00 O ATOM 759 CB LEU A 53 -8.594 -8.758 -9.876 1.00 0.00 C ATOM 760 CG LEU A 53 -7.525 -9.534 -9.103 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.115 -10.173 -7.844 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.838 -10.563 -10.001 1.00 0.00 C ATOM 0 H LEU A 53 -6.789 -6.875 -9.873 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.977 -8.695 -11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.081 -8.067 -9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.355 -9.463 -10.212 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.759 -8.830 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.335 -10.718 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.519 -9.395 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.912 -10.861 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.083 -11.100 -9.427 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.578 -11.269 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.362 -10.054 -10.839 1.00 0.00 H new ATOM 774 N GLU A 54 -9.265 -5.875 -10.789 1.00 0.00 N ATOM 775 CA GLU A 54 -10.185 -4.805 -11.137 1.00 0.00 C ATOM 776 C GLU A 54 -9.428 -3.484 -11.289 1.00 0.00 C ATOM 777 O GLU A 54 -8.512 -3.197 -10.520 1.00 0.00 O ATOM 778 CB GLU A 54 -11.300 -4.681 -10.097 1.00 0.00 C ATOM 779 CG GLU A 54 -12.467 -5.612 -10.431 1.00 0.00 C ATOM 780 CD GLU A 54 -13.585 -5.485 -9.393 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.409 -6.057 -8.296 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.589 -4.817 -9.721 1.00 0.00 O ATOM 0 H GLU A 54 -8.776 -5.746 -9.903 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.650 -5.048 -12.093 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.909 -4.922 -9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.652 -3.650 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.856 -5.373 -11.421 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.115 -6.643 -10.468 1.00 0.00 H new ATOM 822 N GLU A 58 -7.785 4.686 -11.172 1.00 0.00 N ATOM 823 CA GLU A 58 -6.387 4.764 -10.781 1.00 0.00 C ATOM 824 C GLU A 58 -6.002 3.542 -9.946 1.00 0.00 C ATOM 825 O GLU A 58 -5.179 2.730 -10.370 1.00 0.00 O ATOM 826 CB GLU A 58 -6.104 6.060 -10.019 1.00 0.00 C ATOM 827 CG GLU A 58 -6.749 7.259 -10.717 1.00 0.00 C ATOM 828 CD GLU A 58 -5.888 7.743 -11.885 1.00 0.00 C ATOM 829 OE1 GLU A 58 -5.588 6.898 -12.757 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.550 8.946 -11.881 1.00 0.00 O ATOM 0 HA GLU A 58 -5.776 4.770 -11.684 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.486 5.978 -9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.028 6.214 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.739 6.983 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.886 8.070 -10.002 1.00 0.00 H new ATOM 837 N TRP A 59 -6.612 3.447 -8.774 1.00 0.00 N ATOM 838 CA TRP A 59 -6.343 2.337 -7.876 1.00 0.00 C ATOM 839 C TRP A 59 -7.001 1.086 -8.461 1.00 0.00 C ATOM 840 O TRP A 59 -8.171 1.115 -8.839 1.00 0.00 O ATOM 841 CB TRP A 59 -6.816 2.654 -6.456 1.00 0.00 C ATOM 842 CG TRP A 59 -6.342 4.010 -5.930 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.852 5.220 -6.192 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.235 4.245 -5.034 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.158 6.215 -5.533 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.143 5.603 -4.808 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.340 3.340 -4.436 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.171 6.178 -3.980 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.375 3.931 -3.612 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.269 5.296 -3.373 1.00 0.00 C ATOM 0 H TRP A 59 -7.293 4.122 -8.425 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.271 2.159 -7.792 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.905 2.628 -6.433 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.464 1.872 -5.784 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.700 5.396 -6.838 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.354 7.215 -5.571 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.393 2.274 -4.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.120 7.245 -3.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.662 3.280 -3.128 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.495 5.674 -2.722 1.00 0.00 H new ATOM 861 N TRP A 60 -6.220 0.017 -8.515 1.00 0.00 N ATOM 862 CA TRP A 60 -6.713 -1.242 -9.048 1.00 0.00 C ATOM 863 C TRP A 60 -6.620 -2.293 -7.939 1.00 0.00 C ATOM 864 O TRP A 60 -5.756 -2.206 -7.068 1.00 0.00 O ATOM 865 CB TRP A 60 -5.948 -1.640 -10.311 1.00 0.00 C ATOM 866 CG TRP A 60 -5.730 -0.488 -11.295 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.505 0.586 -11.492 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.627 -0.339 -12.213 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.985 1.414 -12.466 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.806 0.834 -12.919 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.513 -1.168 -12.441 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.912 1.283 -13.898 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.629 -0.703 -13.423 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.796 0.474 -14.141 1.00 0.00 C ATOM 0 H TRP A 60 -5.250 -0.003 -8.199 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.755 -1.149 -9.355 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.979 -2.047 -10.023 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.492 -2.438 -10.816 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.422 0.780 -10.956 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.391 2.291 -12.793 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.352 -2.090 -11.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.075 2.205 -14.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.756 -1.302 -13.637 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.068 0.764 -14.884 1.00 0.00 H new ATOM 885 N LYS A 61 -7.523 -3.259 -8.007 1.00 0.00 N ATOM 886 CA LYS A 61 -7.555 -4.325 -7.018 1.00 0.00 C ATOM 887 C LYS A 61 -6.744 -5.515 -7.533 1.00 0.00 C ATOM 888 O LYS A 61 -7.247 -6.325 -8.311 1.00 0.00 O ATOM 889 CB LYS A 61 -9.000 -4.676 -6.656 1.00 0.00 C ATOM 890 CG LYS A 61 -9.045 -5.733 -5.550 1.00 0.00 C ATOM 891 CD LYS A 61 -10.063 -6.827 -5.879 1.00 0.00 C ATOM 892 CE LYS A 61 -10.733 -7.353 -4.609 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.178 -7.574 -4.837 1.00 0.00 N ATOM 0 H LYS A 61 -8.238 -3.327 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.088 -3.998 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.525 -3.779 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.521 -5.046 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.057 -6.176 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.305 -5.262 -4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.820 -6.432 -6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.566 -7.647 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.261 -8.286 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.592 -6.641 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.617 -7.931 -3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.628 -6.676 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.307 -8.270 -5.599 1.00 0.00 H new ATOM 907 N ALA A 62 -5.501 -5.584 -7.078 1.00 0.00 N ATOM 908 CA ALA A 62 -4.615 -6.663 -7.482 1.00 0.00 C ATOM 909 C ALA A 62 -4.260 -7.512 -6.261 1.00 0.00 C ATOM 910 O ALA A 62 -4.490 -7.097 -5.125 1.00 0.00 O ATOM 911 CB ALA A 62 -3.377 -6.077 -8.165 1.00 0.00 C ATOM 0 H ALA A 62 -5.087 -4.910 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.108 -7.315 -8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.712 -6.885 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.681 -5.508 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.855 -5.419 -7.470 1.00 0.00 H new ATOM 917 N ARG A 63 -3.706 -8.684 -6.534 1.00 0.00 N ATOM 918 CA ARG A 63 -3.317 -9.593 -5.470 1.00 0.00 C ATOM 919 C ARG A 63 -1.795 -9.748 -5.433 1.00 0.00 C ATOM 920 O ARG A 63 -1.168 -9.994 -6.462 1.00 0.00 O ATOM 921 CB ARG A 63 -3.958 -10.971 -5.662 1.00 0.00 C ATOM 922 CG ARG A 63 -3.122 -12.062 -4.991 1.00 0.00 C ATOM 923 CD ARG A 63 -2.260 -12.801 -6.016 1.00 0.00 C ATOM 924 NE ARG A 63 -3.080 -13.796 -6.744 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.573 -14.754 -7.531 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.248 -14.853 -7.699 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.393 -15.613 -8.153 1.00 0.00 N ATOM 0 H ARG A 63 -3.517 -9.025 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.665 -9.169 -4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.964 -10.970 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.056 -11.186 -6.726 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.484 -11.618 -4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.779 -12.770 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.827 -12.090 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.430 -13.299 -5.514 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.094 -13.749 -6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.624 -14.198 -7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.863 -15.583 -8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.402 -15.537 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.008 -16.343 -8.752 1.00 0.00 H new ATOM 941 N SER A 64 -1.247 -9.598 -4.237 1.00 0.00 N ATOM 942 CA SER A 64 0.190 -9.717 -4.052 1.00 0.00 C ATOM 943 C SER A 64 0.647 -11.133 -4.406 1.00 0.00 C ATOM 944 O SER A 64 0.082 -12.112 -3.919 1.00 0.00 O ATOM 945 CB SER A 64 0.591 -9.371 -2.617 1.00 0.00 C ATOM 946 OG SER A 64 2.004 -9.249 -2.473 1.00 0.00 O ATOM 0 H SER A 64 -1.771 -9.395 -3.386 1.00 0.00 H new ATOM 0 HA SER A 64 0.681 -9.007 -4.718 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.114 -8.436 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.223 -10.143 -1.941 1.00 0.00 H new ATOM 0 HG SER A 64 2.279 -9.630 -1.613 1.00 0.00 H new ATOM 952 N LEU A 65 1.667 -11.199 -5.249 1.00 0.00 N ATOM 953 CA LEU A 65 2.206 -12.481 -5.673 1.00 0.00 C ATOM 954 C LEU A 65 3.229 -12.963 -4.644 1.00 0.00 C ATOM 955 O LEU A 65 3.922 -13.954 -4.870 1.00 0.00 O ATOM 956 CB LEU A 65 2.762 -12.383 -7.095 1.00 0.00 C ATOM 957 CG LEU A 65 1.765 -12.644 -8.226 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.606 -11.645 -8.175 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.465 -12.642 -9.585 1.00 0.00 C ATOM 0 H LEU A 65 2.135 -10.386 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 65 1.417 -13.232 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.183 -11.387 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.584 -13.092 -7.192 1.00 0.00 H new ATOM 0 HG LEU A 65 1.340 -13.638 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.089 -11.852 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.086 -11.739 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.994 -10.632 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.734 -12.830 -10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.935 -11.673 -9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.226 -13.422 -9.603 1.00 0.00 H new ATOM 971 N ALA A 66 3.292 -12.242 -3.535 1.00 0.00 N ATOM 972 CA ALA A 66 4.218 -12.585 -2.469 1.00 0.00 C ATOM 973 C ALA A 66 3.430 -12.968 -1.216 1.00 0.00 C ATOM 974 O ALA A 66 3.984 -13.544 -0.281 1.00 0.00 O ATOM 975 CB ALA A 66 5.171 -11.412 -2.224 1.00 0.00 C ATOM 0 H ALA A 66 2.716 -11.420 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 66 4.825 -13.445 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.866 -11.669 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.729 -11.200 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.597 -10.531 -1.937 1.00 0.00 H new ATOM 981 N THR A 67 2.148 -12.633 -1.237 1.00 0.00 N ATOM 982 CA THR A 67 1.277 -12.933 -0.114 1.00 0.00 C ATOM 983 C THR A 67 -0.138 -13.246 -0.604 1.00 0.00 C ATOM 984 O THR A 67 -1.087 -13.233 0.178 1.00 0.00 O ATOM 985 CB THR A 67 1.337 -11.756 0.860 1.00 0.00 C ATOM 986 OG1 THR A 67 1.363 -10.608 0.016 1.00 0.00 O ATOM 987 CG2 THR A 67 2.663 -11.690 1.620 1.00 0.00 C ATOM 0 H THR A 67 1.692 -12.156 -2.015 1.00 0.00 H new ATOM 0 HA THR A 67 1.608 -13.827 0.415 1.00 0.00 H new ATOM 0 HB THR A 67 0.515 -11.833 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.714 -9.842 0.516 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.652 -10.836 2.297 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.800 -12.607 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.484 -11.580 0.911 1.00 0.00 H new ATOM 995 N ARG A 68 -0.234 -13.519 -1.897 1.00 0.00 N ATOM 996 CA ARG A 68 -1.518 -13.834 -2.502 1.00 0.00 C ATOM 997 C ARG A 68 -2.630 -13.017 -1.842 1.00 0.00 C ATOM 998 O ARG A 68 -3.763 -13.482 -1.727 1.00 0.00 O ATOM 999 CB ARG A 68 -1.840 -15.324 -2.366 1.00 0.00 C ATOM 1000 CG ARG A 68 -2.531 -15.616 -1.033 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.071 -16.957 -0.459 1.00 0.00 C ATOM 1002 NE ARG A 68 -1.450 -16.753 0.869 1.00 0.00 N ATOM 1003 CZ ARG A 68 -0.160 -16.440 1.055 1.00 0.00 C ATOM 1004 NH1 ARG A 68 0.653 -16.293 0.001 1.00 0.00 N ATOM 1005 NH2 ARG A 68 0.316 -16.273 2.297 1.00 0.00 N ATOM 0 H ARG A 68 0.556 -13.529 -2.543 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.457 -13.582 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.482 -15.637 -3.189 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.921 -15.906 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.312 -14.818 -0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.612 -15.629 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.920 -17.635 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.356 -17.426 -1.136 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.041 -16.857 1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.291 -16.419 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.635 -16.055 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.303 -16.384 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.298 -16.035 2.439 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.268 -11.812 -1.424 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.221 -10.926 -0.779 1.00 0.00 C ATOM 1021 C LYS A 69 -4.143 -10.318 -1.837 1.00 0.00 C ATOM 1022 O LYS A 69 -4.028 -10.632 -3.021 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.492 -9.884 0.073 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.221 -10.418 1.480 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.115 -9.616 2.169 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.996 -10.001 3.645 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.240 -9.434 4.230 1.00 0.00 N ATOM 0 H LYS A 69 -1.327 -11.429 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.853 -11.484 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.550 -9.613 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.091 -8.976 0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.134 -10.369 2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.933 -11.468 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.165 -9.794 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.327 -8.550 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.865 -9.637 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.988 -11.086 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.306 -9.705 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.067 -9.801 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.217 -8.397 4.152 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.039 -9.460 -1.373 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.982 -8.805 -2.264 1.00 0.00 C ATOM 1043 C GLU A 70 -6.399 -7.450 -1.693 1.00 0.00 C ATOM 1044 O GLU A 70 -6.880 -7.369 -0.564 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.202 -9.693 -2.520 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.917 -10.714 -3.624 1.00 0.00 C ATOM 1047 CD GLU A 70 -8.129 -11.614 -3.864 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.979 -11.213 -4.689 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.181 -12.683 -3.218 1.00 0.00 O ATOM 0 H GLU A 70 -5.132 -9.203 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.490 -8.636 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.477 -10.212 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.053 -9.074 -2.803 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.657 -10.195 -4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.056 -11.323 -3.348 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.202 -6.417 -2.500 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.552 -5.069 -2.089 1.00 0.00 C ATOM 1058 C GLY A 71 -6.247 -4.060 -3.198 1.00 0.00 C ATOM 1059 O GLY A 71 -5.483 -4.354 -4.116 1.00 0.00 O ATOM 0 H GLY A 71 -5.804 -6.487 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.611 -5.026 -1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.997 -4.804 -1.189 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.861 -2.892 -3.077 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.665 -1.838 -4.059 1.00 0.00 C ATOM 1065 C TYR A 72 -5.255 -1.252 -3.958 1.00 0.00 C ATOM 1066 O TYR A 72 -4.791 -0.923 -2.868 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.682 -0.749 -3.717 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.135 -1.148 -3.983 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.483 -1.723 -5.189 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.098 -0.935 -3.017 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.850 -2.100 -5.440 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.464 -1.312 -3.268 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.773 -1.876 -4.467 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.064 -2.232 -4.703 1.00 0.00 O ATOM 0 H TYR A 72 -7.494 -2.652 -2.314 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.792 -2.226 -5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.576 -0.484 -2.665 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.450 0.145 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.730 -1.890 -5.945 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.826 -0.486 -2.073 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.135 -2.550 -6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.227 -1.151 -2.521 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.612 -2.014 -3.920 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.612 -1.138 -5.111 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.265 -0.597 -5.168 1.00 0.00 C ATOM 1086 C ILE A 73 -3.224 0.553 -6.176 1.00 0.00 C ATOM 1087 O ILE A 73 -3.998 0.575 -7.131 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.254 -1.708 -5.459 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.653 -2.499 -6.706 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.066 -2.614 -4.241 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.536 -2.478 -7.751 1.00 0.00 C ATOM 0 H ILE A 73 -5.000 -1.412 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.979 -0.183 -4.201 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.289 -1.245 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.878 -3.529 -6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.563 -2.077 -7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.342 -3.394 -4.476 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.702 -2.023 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.020 -3.071 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.846 -3.048 -8.627 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.330 -1.448 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.635 -2.923 -7.329 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.286 1.506 -5.922 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.133 2.656 -6.797 1.00 0.00 C ATOM 1105 C PRO A 74 -1.434 2.265 -8.101 1.00 0.00 C ATOM 1106 O PRO A 74 -0.468 1.504 -8.086 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.346 3.668 -5.981 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.689 2.880 -4.860 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.351 1.513 -4.801 1.00 0.00 C ATOM 0 HA PRO A 74 -3.089 3.075 -7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.599 4.169 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.001 4.442 -5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.381 2.778 -5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.803 3.401 -3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.616 0.713 -4.893 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.868 1.364 -3.853 1.00 0.00 H new ATOM 1117 N SER A 75 -1.949 2.805 -9.195 1.00 0.00 N ATOM 1118 CA SER A 75 -1.387 2.521 -10.505 1.00 0.00 C ATOM 1119 C SER A 75 -0.151 3.393 -10.742 1.00 0.00 C ATOM 1120 O SER A 75 0.761 2.998 -11.467 1.00 0.00 O ATOM 1121 CB SER A 75 -2.419 2.752 -11.610 1.00 0.00 C ATOM 1122 OG SER A 75 -1.827 3.289 -12.790 1.00 0.00 O ATOM 0 H SER A 75 -2.749 3.438 -9.202 1.00 0.00 H new ATOM 0 HA SER A 75 -1.096 1.471 -10.533 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.912 1.810 -11.848 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.190 3.433 -11.249 1.00 0.00 H new ATOM 0 HG SER A 75 -2.145 2.790 -13.571 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.161 4.561 -10.118 1.00 0.00 N ATOM 1129 CA ASN A 76 0.948 5.490 -10.252 1.00 0.00 C ATOM 1130 C ASN A 76 2.166 4.935 -9.511 1.00 0.00 C ATOM 1131 O ASN A 76 3.258 5.497 -9.597 1.00 0.00 O ATOM 1132 CB ASN A 76 0.603 6.851 -9.642 1.00 0.00 C ATOM 1133 CG ASN A 76 0.699 6.807 -8.116 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.654 5.759 -7.495 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.833 8.002 -7.548 1.00 0.00 N ATOM 0 H ASN A 76 -0.919 4.886 -9.518 1.00 0.00 H new ATOM 0 HA ASN A 76 1.158 5.613 -11.314 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.281 7.610 -10.031 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.405 7.142 -9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.905 8.079 -6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.864 8.841 -8.127 1.00 0.00 H new ATOM 1142 N TYR A 77 1.939 3.840 -8.802 1.00 0.00 N ATOM 1143 CA TYR A 77 3.004 3.203 -8.047 1.00 0.00 C ATOM 1144 C TYR A 77 3.338 1.826 -8.624 1.00 0.00 C ATOM 1145 O TYR A 77 4.113 1.073 -8.036 1.00 0.00 O ATOM 1146 CB TYR A 77 2.468 3.031 -6.624 1.00 0.00 C ATOM 1147 CG TYR A 77 3.109 3.971 -5.600 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.146 5.329 -5.838 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.650 3.459 -4.438 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.749 6.213 -4.875 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.252 4.343 -3.474 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.272 5.677 -3.741 1.00 0.00 C ATOM 1153 OH TYR A 77 4.841 6.512 -2.830 1.00 0.00 O ATOM 0 H TYR A 77 1.033 3.377 -8.734 1.00 0.00 H new ATOM 0 HA TYR A 77 3.912 3.805 -8.082 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.391 3.197 -6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.630 2.001 -6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.722 5.729 -6.747 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.622 2.396 -4.252 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.785 7.278 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.678 3.956 -2.560 1.00 0.00 H new ATOM 0 HH TYR A 77 4.567 7.434 -3.015 1.00 0.00 H new ATOM 1163 N VAL A 78 2.734 1.537 -9.768 1.00 0.00 N ATOM 1164 CA VAL A 78 2.957 0.264 -10.430 1.00 0.00 C ATOM 1165 C VAL A 78 3.274 0.510 -11.907 1.00 0.00 C ATOM 1166 O VAL A 78 3.102 1.622 -12.404 1.00 0.00 O ATOM 1167 CB VAL A 78 1.750 -0.653 -10.223 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.309 -0.654 -8.758 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.594 -0.255 -11.143 1.00 0.00 C ATOM 0 H VAL A 78 2.091 2.163 -10.252 1.00 0.00 H new ATOM 0 HA VAL A 78 3.815 -0.247 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 78 2.051 -1.668 -10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.449 -1.313 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.128 -1.007 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.035 0.358 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.251 -0.923 -10.975 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.294 0.771 -10.928 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.914 -0.329 -12.182 1.00 0.00 H new ATOM 1179 N ALA A 79 3.729 -0.545 -12.566 1.00 0.00 N ATOM 1180 CA ALA A 79 4.070 -0.457 -13.976 1.00 0.00 C ATOM 1181 C ALA A 79 3.944 -1.842 -14.614 1.00 0.00 C ATOM 1182 O ALA A 79 4.747 -2.732 -14.339 1.00 0.00 O ATOM 1183 CB ALA A 79 5.477 0.128 -14.125 1.00 0.00 C ATOM 0 H ALA A 79 3.870 -1.466 -12.150 1.00 0.00 H new ATOM 0 HA ALA A 79 3.382 0.210 -14.497 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.733 0.194 -15.182 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.506 1.123 -13.681 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.195 -0.517 -13.617 1.00 0.00 H new ATOM 1189 N ARG A 80 2.928 -1.980 -15.455 1.00 0.00 N ATOM 1190 CA ARG A 80 2.688 -3.242 -16.133 1.00 0.00 C ATOM 1191 C ARG A 80 4.014 -3.906 -16.506 1.00 0.00 C ATOM 1192 O ARG A 80 4.955 -3.232 -16.922 1.00 0.00 O ATOM 1193 CB ARG A 80 1.855 -3.034 -17.400 1.00 0.00 C ATOM 1194 CG ARG A 80 0.374 -3.316 -17.136 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.257 -4.076 -18.304 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.364 -3.284 -18.885 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.052 -3.644 -19.977 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.751 -4.783 -20.614 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.042 -2.864 -20.432 1.00 0.00 N ATOM 0 H ARG A 80 2.264 -1.240 -15.681 1.00 0.00 H new ATOM 0 HA ARG A 80 2.136 -3.887 -15.449 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.976 -2.011 -17.755 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.219 -3.691 -18.190 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.269 -3.897 -16.220 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.156 -2.377 -16.980 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.496 -4.278 -19.066 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.630 -5.041 -17.961 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.619 -2.410 -18.426 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.998 -5.377 -20.268 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.275 -5.056 -21.445 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.272 -1.997 -19.947 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.566 -3.138 -21.263 1.00 0.00 H new ATOM 1213 N VAL A 81 4.046 -5.221 -16.344 1.00 0.00 N ATOM 1214 CA VAL A 81 5.242 -5.985 -16.659 1.00 0.00 C ATOM 1215 C VAL A 81 5.549 -5.850 -18.152 1.00 0.00 C ATOM 1216 O VAL A 81 6.712 -5.845 -18.552 1.00 0.00 O ATOM 1217 CB VAL A 81 5.067 -7.438 -16.213 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.632 -8.322 -17.384 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.348 -7.971 -15.569 1.00 0.00 C ATOM 0 H VAL A 81 3.263 -5.777 -15.999 1.00 0.00 H new ATOM 0 HA VAL A 81 6.101 -5.593 -16.114 1.00 0.00 H new ATOM 0 HB VAL A 81 4.278 -7.466 -15.462 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.515 -9.350 -17.040 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.683 -7.961 -17.779 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.389 -8.286 -18.168 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.197 -9.006 -15.261 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.165 -7.922 -16.289 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.596 -7.365 -14.697 1.00 0.00 H new ATOM 1229 N ASP A 82 4.486 -5.744 -18.935 1.00 0.00 N ATOM 1230 CA ASP A 82 4.628 -5.610 -20.375 1.00 0.00 C ATOM 1231 C ASP A 82 4.801 -4.131 -20.731 1.00 0.00 C ATOM 1232 O ASP A 82 4.716 -3.756 -21.899 1.00 0.00 O ATOM 1233 CB ASP A 82 3.386 -6.128 -21.102 1.00 0.00 C ATOM 1234 CG ASP A 82 3.660 -6.826 -22.436 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.820 -7.255 -22.623 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.705 -6.915 -23.236 1.00 0.00 O ATOM 0 H ASP A 82 3.523 -5.748 -18.600 1.00 0.00 H new ATOM 0 HA ASP A 82 5.496 -6.193 -20.683 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.864 -6.824 -20.446 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.712 -5.290 -21.280 1.00 0.00 H new ATOM 1241 N SER A 83 5.043 -3.333 -19.701 1.00 0.00 N ATOM 1242 CA SER A 83 5.228 -1.904 -19.891 1.00 0.00 C ATOM 1243 C SER A 83 6.628 -1.493 -19.427 1.00 0.00 C ATOM 1244 O SER A 83 6.836 -0.357 -19.002 1.00 0.00 O ATOM 1245 CB SER A 83 4.163 -1.106 -19.137 1.00 0.00 C ATOM 1246 OG SER A 83 4.183 0.275 -19.488 1.00 0.00 O ATOM 0 H SER A 83 5.115 -3.648 -18.734 1.00 0.00 H new ATOM 0 HA SER A 83 5.124 -1.683 -20.953 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.178 -1.521 -19.353 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.324 -1.210 -18.064 1.00 0.00 H new ATOM 0 HG SER A 83 5.103 0.611 -19.443 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.545 11.019 -5.116 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.838 11.447 -6.311 1.00 0.00 C ATOM 1380 C PRO B 124 -4.449 10.809 -6.383 1.00 0.00 C ATOM 1381 O PRO B 124 -3.447 11.509 -6.531 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.791 12.964 -6.219 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.059 13.300 -4.761 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.601 12.052 -4.086 1.00 0.00 C ATOM 0 HA PRO B 124 -6.334 11.133 -7.229 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.820 13.345 -6.536 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.539 13.418 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.143 13.631 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.776 14.118 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.001 11.779 -3.218 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.621 12.204 -3.733 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.432 9.489 -6.276 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.183 8.749 -6.327 1.00 0.00 C ATOM 1394 C LEU B 125 -2.265 9.228 -5.200 1.00 0.00 C ATOM 1395 O LEU B 125 -2.362 10.373 -4.759 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.555 8.854 -7.718 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.138 7.929 -8.789 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.728 8.387 -10.190 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.752 6.473 -8.524 1.00 0.00 C ATOM 0 H LEU B 125 -5.264 8.912 -6.154 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.362 7.687 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.653 9.883 -8.063 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.488 8.648 -7.630 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.225 7.987 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.155 7.713 -10.933 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.095 9.398 -10.364 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.641 8.376 -10.273 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.179 5.837 -9.299 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.666 6.377 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.136 6.166 -7.551 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.372 8.304 -4.755 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.438 8.621 -3.688 1.00 0.00 C ATOM 1413 C PRO B 126 0.692 9.518 -4.197 1.00 0.00 C ATOM 1414 O PRO B 126 0.933 9.597 -5.401 1.00 0.00 O ATOM 1415 CB PRO B 126 0.055 7.275 -3.184 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.261 6.276 -4.286 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.228 6.940 -5.253 1.00 0.00 C ATOM 0 HA PRO B 126 -0.899 9.189 -2.881 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.125 7.303 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.442 7.000 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.651 5.977 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.701 5.371 -3.867 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.840 6.929 -6.271 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.187 6.422 -5.272 1.00 0.00 H new ATOM 1425 N PRO B 127 1.372 10.191 -3.230 1.00 0.00 N ATOM 1426 CA PRO B 127 2.471 11.080 -3.568 1.00 0.00 C ATOM 1427 C PRO B 127 3.723 10.286 -3.945 1.00 0.00 C ATOM 1428 O PRO B 127 4.299 9.593 -3.107 1.00 0.00 O ATOM 1429 CB PRO B 127 2.667 11.949 -2.335 1.00 0.00 C ATOM 1430 CG PRO B 127 1.989 11.210 -1.192 1.00 0.00 C ATOM 1431 CD PRO B 127 1.115 10.122 -1.794 1.00 0.00 C ATOM 0 HA PRO B 127 2.261 11.695 -4.443 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.726 12.100 -2.128 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.226 12.935 -2.478 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.733 10.776 -0.524 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.388 11.897 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.371 9.141 -1.393 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.062 10.292 -1.572 1.00 0.00 H new ATOM 1439 N LEU B 128 4.108 10.413 -5.206 1.00 0.00 N ATOM 1440 CA LEU B 128 5.281 9.716 -5.704 1.00 0.00 C ATOM 1441 C LEU B 128 6.452 9.948 -4.748 1.00 0.00 C ATOM 1442 O LEU B 128 6.685 11.074 -4.308 1.00 0.00 O ATOM 1443 CB LEU B 128 5.575 10.127 -7.148 1.00 0.00 C ATOM 1444 CG LEU B 128 4.792 9.382 -8.231 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.317 9.730 -9.626 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.802 7.873 -7.975 1.00 0.00 C ATOM 0 H LEU B 128 3.628 10.989 -5.898 1.00 0.00 H new ATOM 0 HA LEU B 128 5.102 8.641 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.372 11.193 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.639 9.986 -7.335 1.00 0.00 H new ATOM 0 HG LEU B 128 3.753 9.710 -8.187 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.743 9.187 -10.377 1.00 0.00 H new ATOM 0 HD12 LEU B 128 5.215 10.802 -9.796 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.368 9.450 -9.700 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.239 7.367 -8.759 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.830 7.511 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.345 7.665 -7.008 1.00 0.00 H new ATOM 1458 N PRO B 129 7.177 8.839 -4.446 1.00 0.00 N ATOM 1459 CA PRO B 129 8.318 8.911 -3.550 1.00 0.00 C ATOM 1460 C PRO B 129 9.522 9.550 -4.245 1.00 0.00 C ATOM 1461 O PRO B 129 10.072 10.537 -3.758 1.00 0.00 O ATOM 1462 CB PRO B 129 8.573 7.475 -3.120 1.00 0.00 C ATOM 1463 CG PRO B 129 7.869 6.603 -4.146 1.00 0.00 C ATOM 1464 CD PRO B 129 6.930 7.491 -4.948 1.00 0.00 C ATOM 0 HA PRO B 129 8.132 9.545 -2.683 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.641 7.260 -3.091 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.184 7.292 -2.119 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.595 6.124 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.312 5.807 -3.652 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.136 7.422 -6.016 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.890 7.199 -4.804 1.00 0.00 H new