USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 475 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 34 MET CE :methyl 138:sc= -2.44 (180deg=-1.33) USER MOD Set 1.2: A 37 TYR OH : rot -178:sc= 0.5 USER MOD Set 1.3: A 70 HIS : no HD1:sc= -3.38! C(o=-5.3!,f=-13!) USER MOD Set 2.1: A 56 THR OG1 : rot 180:sc= -0.119 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.142 USER MOD Single : A 30 SER OG : rot -40:sc= 0.0026 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.2) USER MOD Single : A 40 SER OG : rot 170:sc= -0.14 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 53 THR OG1 : rot -63:sc= 0.244 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 MET CE :methyl 177:sc= -1.32 (180deg=-1.33) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.319 K(o=-0.32,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.0084) USER MOD Single : A 77 SER OG : rot 140:sc= 0.262 USER MOD Single : A 79 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.038) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -118:sc= -3.65! (180deg=-6.27!) USER MOD ----------------------------------------------------------------- ATOM 330 N VAL A 25 28.941 -24.916 27.328 1.00 0.00 N ATOM 331 CA VAL A 25 27.714 -24.280 26.863 1.00 0.00 C ATOM 332 C VAL A 25 28.011 -22.957 26.165 1.00 0.00 C ATOM 333 O VAL A 25 27.321 -22.574 25.220 1.00 0.00 O ATOM 334 CB VAL A 25 26.738 -24.026 28.027 1.00 0.00 C ATOM 335 CG1 VAL A 25 25.478 -23.337 27.526 1.00 0.00 C ATOM 336 CG2 VAL A 25 26.397 -25.331 28.730 1.00 0.00 C ATOM 0 HA VAL A 25 27.251 -24.966 26.153 1.00 0.00 H new ATOM 0 HB VAL A 25 27.222 -23.367 28.747 1.00 0.00 H new ATOM 0 HG11 VAL A 25 24.800 -23.166 28.362 1.00 0.00 H new ATOM 0 HG12 VAL A 25 25.742 -22.382 27.071 1.00 0.00 H new ATOM 0 HG13 VAL A 25 24.988 -23.969 26.785 1.00 0.00 H new ATOM 0 HG21 VAL A 25 25.706 -25.133 29.550 1.00 0.00 H new ATOM 0 HG22 VAL A 25 25.932 -26.016 28.021 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.308 -25.781 29.124 1.00 0.00 H new ATOM 346 N ASP A 26 29.041 -22.264 26.637 1.00 0.00 N ATOM 347 CA ASP A 26 29.431 -20.984 26.057 1.00 0.00 C ATOM 348 C ASP A 26 29.766 -21.137 24.577 1.00 0.00 C ATOM 349 O ASP A 26 29.507 -20.239 23.775 1.00 0.00 O ATOM 350 CB ASP A 26 30.632 -20.405 26.807 1.00 0.00 C ATOM 351 CG ASP A 26 30.402 -20.338 28.304 1.00 0.00 C ATOM 352 OD1 ASP A 26 30.663 -21.349 28.990 1.00 0.00 O ATOM 353 OD2 ASP A 26 29.963 -19.275 28.790 1.00 0.00 O ATOM 0 H ASP A 26 29.621 -22.567 27.420 1.00 0.00 H new ATOM 0 HA ASP A 26 28.588 -20.299 26.151 1.00 0.00 H new ATOM 0 HB2 ASP A 26 31.512 -21.016 26.604 1.00 0.00 H new ATOM 0 HB3 ASP A 26 30.844 -19.405 26.430 1.00 0.00 H new ATOM 358 N ASP A 27 30.344 -22.280 24.221 1.00 0.00 N ATOM 359 CA ASP A 27 30.714 -22.551 22.837 1.00 0.00 C ATOM 360 C ASP A 27 29.499 -22.987 22.025 1.00 0.00 C ATOM 361 O ASP A 27 29.257 -22.479 20.930 1.00 0.00 O ATOM 362 CB ASP A 27 31.797 -23.630 22.778 1.00 0.00 C ATOM 363 CG ASP A 27 32.987 -23.211 21.938 1.00 0.00 C ATOM 364 OD1 ASP A 27 33.765 -22.350 22.399 1.00 0.00 O ATOM 365 OD2 ASP A 27 33.140 -23.743 20.818 1.00 0.00 O ATOM 0 H ASP A 27 30.566 -23.033 24.872 1.00 0.00 H new ATOM 0 HA ASP A 27 31.106 -21.630 22.405 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.133 -23.859 23.789 1.00 0.00 H new ATOM 0 HB3 ASP A 27 31.371 -24.546 22.368 1.00 0.00 H new ATOM 370 N TRP A 28 28.739 -23.931 22.568 1.00 0.00 N ATOM 371 CA TRP A 28 27.549 -24.437 21.893 1.00 0.00 C ATOM 372 C TRP A 28 26.615 -23.295 21.508 1.00 0.00 C ATOM 373 O TRP A 28 26.271 -23.129 20.337 1.00 0.00 O ATOM 374 CB TRP A 28 26.813 -25.433 22.790 1.00 0.00 C ATOM 375 CG TRP A 28 25.404 -25.698 22.353 1.00 0.00 C ATOM 376 CD1 TRP A 28 24.982 -26.014 21.093 1.00 0.00 C ATOM 377 CD2 TRP A 28 24.232 -25.667 23.175 1.00 0.00 C ATOM 378 NE1 TRP A 28 23.618 -26.181 21.082 1.00 0.00 N ATOM 379 CE2 TRP A 28 23.135 -25.975 22.347 1.00 0.00 C ATOM 380 CE3 TRP A 28 24.003 -25.412 24.530 1.00 0.00 C ATOM 381 CZ2 TRP A 28 21.830 -26.032 22.831 1.00 0.00 C ATOM 382 CZ3 TRP A 28 22.708 -25.469 25.008 1.00 0.00 C ATOM 383 CH2 TRP A 28 21.635 -25.778 24.162 1.00 0.00 C ATOM 0 H TRP A 28 28.925 -24.362 23.474 1.00 0.00 H new ATOM 0 HA TRP A 28 27.867 -24.945 20.982 1.00 0.00 H new ATOM 0 HB2 TRP A 28 27.364 -26.373 22.805 1.00 0.00 H new ATOM 0 HB3 TRP A 28 26.803 -25.053 23.811 1.00 0.00 H new ATOM 0 HD1 TRP A 28 25.626 -26.117 20.232 1.00 0.00 H new ATOM 0 HE1 TRP A 28 23.057 -26.420 20.265 1.00 0.00 H new ATOM 0 HE3 TRP A 28 24.823 -25.175 25.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 21.002 -26.268 22.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 22.519 -25.272 26.053 1.00 0.00 H new ATOM 0 HH2 TRP A 28 20.635 -25.817 24.568 1.00 0.00 H new ATOM 394 N LEU A 29 26.208 -22.510 22.499 1.00 0.00 N ATOM 395 CA LEU A 29 25.313 -21.382 22.263 1.00 0.00 C ATOM 396 C LEU A 29 25.896 -20.432 21.222 1.00 0.00 C ATOM 397 O LEU A 29 25.166 -19.850 20.419 1.00 0.00 O ATOM 398 CB LEU A 29 25.055 -20.628 23.569 1.00 0.00 C ATOM 399 CG LEU A 29 24.249 -21.380 24.630 1.00 0.00 C ATOM 400 CD1 LEU A 29 24.147 -20.557 25.905 1.00 0.00 C ATOM 401 CD2 LEU A 29 22.864 -21.725 24.102 1.00 0.00 C ATOM 0 H LEU A 29 26.483 -22.633 23.473 1.00 0.00 H new ATOM 0 HA LEU A 29 24.369 -21.773 21.883 1.00 0.00 H new ATOM 0 HB2 LEU A 29 26.016 -20.350 24.001 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.532 -19.701 23.333 1.00 0.00 H new ATOM 0 HG LEU A 29 24.768 -22.310 24.863 1.00 0.00 H new ATOM 0 HD11 LEU A 29 23.570 -21.108 26.648 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.147 -20.362 26.293 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.651 -19.611 25.689 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.305 -22.260 24.870 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.336 -20.808 23.840 1.00 0.00 H new ATOM 0 HD23 LEU A 29 22.958 -22.355 23.217 1.00 0.00 H new ATOM 413 N SER A 30 27.217 -20.282 21.240 1.00 0.00 N ATOM 414 CA SER A 30 27.899 -19.401 20.298 1.00 0.00 C ATOM 415 C SER A 30 27.844 -19.972 18.884 1.00 0.00 C ATOM 416 O SER A 30 28.053 -19.255 17.905 1.00 0.00 O ATOM 417 CB SER A 30 29.355 -19.196 20.721 1.00 0.00 C ATOM 418 OG SER A 30 29.904 -18.039 20.115 1.00 0.00 O ATOM 0 H SER A 30 27.836 -20.759 21.896 1.00 0.00 H new ATOM 0 HA SER A 30 27.388 -18.438 20.303 1.00 0.00 H new ATOM 0 HB2 SER A 30 29.412 -19.104 21.806 1.00 0.00 H new ATOM 0 HB3 SER A 30 29.944 -20.070 20.443 1.00 0.00 H new ATOM 0 HG SER A 30 29.596 -17.979 19.187 1.00 0.00 H new ATOM 424 N ALA A 31 27.561 -21.266 18.785 1.00 0.00 N ATOM 425 CA ALA A 31 27.476 -21.934 17.492 1.00 0.00 C ATOM 426 C ALA A 31 26.063 -21.853 16.925 1.00 0.00 C ATOM 427 O ALA A 31 25.821 -22.239 15.781 1.00 0.00 O ATOM 428 CB ALA A 31 27.915 -23.385 17.618 1.00 0.00 C ATOM 0 H ALA A 31 27.386 -21.874 19.585 1.00 0.00 H new ATOM 0 HA ALA A 31 28.146 -21.423 16.801 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.846 -23.872 16.645 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.945 -23.424 17.971 1.00 0.00 H new ATOM 0 HB3 ALA A 31 27.268 -23.901 18.328 1.00 0.00 H new ATOM 434 N ILE A 32 25.134 -21.351 17.731 1.00 0.00 N ATOM 435 CA ILE A 32 23.745 -21.220 17.308 1.00 0.00 C ATOM 436 C ILE A 32 23.273 -19.774 17.413 1.00 0.00 C ATOM 437 O ILE A 32 22.081 -19.488 17.293 1.00 0.00 O ATOM 438 CB ILE A 32 22.814 -22.115 18.147 1.00 0.00 C ATOM 439 CG1 ILE A 32 23.117 -21.947 19.637 1.00 0.00 C ATOM 440 CG2 ILE A 32 22.963 -23.570 17.731 1.00 0.00 C ATOM 441 CD1 ILE A 32 22.234 -22.790 20.531 1.00 0.00 C ATOM 0 H ILE A 32 25.318 -21.028 18.681 1.00 0.00 H new ATOM 0 HA ILE A 32 23.700 -21.540 16.267 1.00 0.00 H new ATOM 0 HB ILE A 32 21.783 -21.811 17.969 1.00 0.00 H new ATOM 0 HG12 ILE A 32 24.160 -22.208 19.819 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.999 -20.898 19.908 1.00 0.00 H new ATOM 0 HG21 ILE A 32 22.299 -24.190 18.333 1.00 0.00 H new ATOM 0 HG22 ILE A 32 22.703 -23.676 16.678 1.00 0.00 H new ATOM 0 HG23 ILE A 32 23.994 -23.888 17.884 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.504 -22.621 21.573 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.191 -22.514 20.377 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.370 -23.844 20.287 1.00 0.00 H new ATOM 453 N LYS A 33 24.215 -18.864 17.637 1.00 0.00 N ATOM 454 CA LYS A 33 23.897 -17.446 17.755 1.00 0.00 C ATOM 455 C LYS A 33 23.080 -17.175 19.014 1.00 0.00 C ATOM 456 O LYS A 33 22.520 -16.092 19.180 1.00 0.00 O ATOM 457 CB LYS A 33 23.126 -16.970 16.522 1.00 0.00 C ATOM 458 CG LYS A 33 23.697 -17.485 15.212 1.00 0.00 C ATOM 459 CD LYS A 33 23.863 -16.366 14.197 1.00 0.00 C ATOM 460 CE LYS A 33 23.629 -16.860 12.778 1.00 0.00 C ATOM 461 NZ LYS A 33 23.395 -15.736 11.830 1.00 0.00 N ATOM 0 H LYS A 33 25.206 -19.084 17.741 1.00 0.00 H new ATOM 0 HA LYS A 33 24.834 -16.894 17.825 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.088 -17.290 16.607 1.00 0.00 H new ATOM 0 HB3 LYS A 33 23.123 -15.880 16.504 1.00 0.00 H new ATOM 0 HG2 LYS A 33 24.662 -17.957 15.395 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.039 -18.253 14.804 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.163 -15.562 14.423 1.00 0.00 H new ATOM 0 HD3 LYS A 33 24.866 -15.947 14.277 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.492 -17.439 12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.770 -17.531 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.240 -16.115 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.557 -15.198 12.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.225 -15.109 11.823 1.00 0.00 H new ATOM 475 N MET A 34 23.018 -18.165 19.898 1.00 0.00 N ATOM 476 CA MET A 34 22.271 -18.031 21.144 1.00 0.00 C ATOM 477 C MET A 34 23.216 -17.845 22.327 1.00 0.00 C ATOM 478 O MET A 34 22.862 -18.137 23.469 1.00 0.00 O ATOM 479 CB MET A 34 21.389 -19.260 21.369 1.00 0.00 C ATOM 480 CG MET A 34 20.496 -19.593 20.184 1.00 0.00 C ATOM 481 SD MET A 34 19.424 -18.221 19.715 1.00 0.00 S ATOM 482 CE MET A 34 18.270 -18.210 21.086 1.00 0.00 C ATOM 0 H MET A 34 23.475 -19.068 19.775 1.00 0.00 H new ATOM 0 HA MET A 34 21.637 -17.148 21.066 1.00 0.00 H new ATOM 0 HB2 MET A 34 22.025 -20.118 21.587 1.00 0.00 H new ATOM 0 HB3 MET A 34 20.766 -19.094 22.248 1.00 0.00 H new ATOM 0 HG2 MET A 34 21.117 -19.871 19.333 1.00 0.00 H new ATOM 0 HG3 MET A 34 19.883 -20.461 20.428 1.00 0.00 H new ATOM 0 HE1 MET A 34 18.076 -17.181 21.390 1.00 0.00 H new ATOM 0 HE2 MET A 34 17.335 -18.679 20.779 1.00 0.00 H new ATOM 0 HE3 MET A 34 18.695 -18.762 21.924 1.00 0.00 H new ATOM 492 N VAL A 35 24.421 -17.359 22.046 1.00 0.00 N ATOM 493 CA VAL A 35 25.416 -17.134 23.087 1.00 0.00 C ATOM 494 C VAL A 35 24.898 -16.163 24.142 1.00 0.00 C ATOM 495 O VAL A 35 25.396 -16.131 25.267 1.00 0.00 O ATOM 496 CB VAL A 35 26.729 -16.582 22.499 1.00 0.00 C ATOM 497 CG1 VAL A 35 26.699 -15.062 22.457 1.00 0.00 C ATOM 498 CG2 VAL A 35 27.922 -17.078 23.301 1.00 0.00 C ATOM 0 H VAL A 35 24.731 -17.114 21.106 1.00 0.00 H new ATOM 0 HA VAL A 35 25.612 -18.101 23.551 1.00 0.00 H new ATOM 0 HB VAL A 35 26.830 -16.947 21.477 1.00 0.00 H new ATOM 0 HG11 VAL A 35 27.635 -14.691 22.039 1.00 0.00 H new ATOM 0 HG12 VAL A 35 25.867 -14.732 21.835 1.00 0.00 H new ATOM 0 HG13 VAL A 35 26.574 -14.673 23.467 1.00 0.00 H new ATOM 0 HG21 VAL A 35 28.841 -16.678 22.872 1.00 0.00 H new ATOM 0 HG22 VAL A 35 27.830 -16.745 24.335 1.00 0.00 H new ATOM 0 HG23 VAL A 35 27.952 -18.167 23.273 1.00 0.00 H new ATOM 508 N GLN A 36 23.895 -15.374 23.771 1.00 0.00 N ATOM 509 CA GLN A 36 23.310 -14.402 24.687 1.00 0.00 C ATOM 510 C GLN A 36 22.837 -15.078 25.969 1.00 0.00 C ATOM 511 O GLN A 36 22.751 -14.445 27.022 1.00 0.00 O ATOM 512 CB GLN A 36 22.140 -13.679 24.017 1.00 0.00 C ATOM 513 CG GLN A 36 20.982 -14.596 23.659 1.00 0.00 C ATOM 514 CD GLN A 36 20.382 -14.277 22.304 1.00 0.00 C ATOM 515 OE1 GLN A 36 21.096 -14.164 21.307 1.00 0.00 O ATOM 516 NE2 GLN A 36 19.063 -14.131 22.260 1.00 0.00 N ATOM 0 H GLN A 36 23.471 -15.389 22.843 1.00 0.00 H new ATOM 0 HA GLN A 36 24.079 -13.674 24.944 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.779 -12.895 24.683 1.00 0.00 H new ATOM 0 HB3 GLN A 36 22.497 -13.189 23.112 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.327 -15.630 23.665 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.209 -14.514 24.423 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.510 -14.233 23.111 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.603 -13.917 21.375 1.00 0.00 H new ATOM 525 N TYR A 37 22.531 -16.367 25.874 1.00 0.00 N ATOM 526 CA TYR A 37 22.064 -17.129 27.026 1.00 0.00 C ATOM 527 C TYR A 37 23.192 -17.968 27.619 1.00 0.00 C ATOM 528 O TYR A 37 22.952 -19.014 28.222 1.00 0.00 O ATOM 529 CB TYR A 37 20.896 -18.033 26.627 1.00 0.00 C ATOM 530 CG TYR A 37 19.697 -17.277 26.102 1.00 0.00 C ATOM 531 CD1 TYR A 37 19.036 -16.346 26.894 1.00 0.00 C ATOM 532 CD2 TYR A 37 19.224 -17.493 24.813 1.00 0.00 C ATOM 533 CE1 TYR A 37 17.939 -15.653 26.419 1.00 0.00 C ATOM 534 CE2 TYR A 37 18.130 -16.803 24.329 1.00 0.00 C ATOM 535 CZ TYR A 37 17.490 -15.885 25.135 1.00 0.00 C ATOM 536 OH TYR A 37 16.399 -15.197 24.657 1.00 0.00 O ATOM 0 H TYR A 37 22.598 -16.906 25.011 1.00 0.00 H new ATOM 0 HA TYR A 37 21.725 -16.422 27.783 1.00 0.00 H new ATOM 0 HB2 TYR A 37 21.235 -18.735 25.865 1.00 0.00 H new ATOM 0 HB3 TYR A 37 20.593 -18.623 27.492 1.00 0.00 H new ATOM 0 HD1 TYR A 37 19.386 -16.161 27.899 1.00 0.00 H new ATOM 0 HD2 TYR A 37 19.721 -18.213 24.179 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.436 -14.934 27.049 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.777 -16.981 23.324 1.00 0.00 H new ATOM 0 HH TYR A 37 16.194 -15.500 23.748 1.00 0.00 H new ATOM 546 N ARG A 38 24.423 -17.501 27.442 1.00 0.00 N ATOM 547 CA ARG A 38 25.590 -18.207 27.958 1.00 0.00 C ATOM 548 C ARG A 38 25.680 -18.073 29.475 1.00 0.00 C ATOM 549 O ARG A 38 26.256 -18.926 30.150 1.00 0.00 O ATOM 550 CB ARG A 38 26.867 -17.668 27.311 1.00 0.00 C ATOM 551 CG ARG A 38 27.189 -16.235 27.702 1.00 0.00 C ATOM 552 CD ARG A 38 28.608 -15.855 27.307 1.00 0.00 C ATOM 553 NE ARG A 38 28.678 -15.352 25.938 1.00 0.00 N ATOM 554 CZ ARG A 38 29.770 -14.813 25.408 1.00 0.00 C ATOM 555 NH1 ARG A 38 30.878 -14.708 26.129 1.00 0.00 N ATOM 556 NH2 ARG A 38 29.756 -14.377 24.154 1.00 0.00 N ATOM 0 H ARG A 38 24.639 -16.637 26.945 1.00 0.00 H new ATOM 0 HA ARG A 38 25.483 -19.263 27.709 1.00 0.00 H new ATOM 0 HB2 ARG A 38 27.704 -18.309 27.590 1.00 0.00 H new ATOM 0 HB3 ARG A 38 26.768 -17.727 26.227 1.00 0.00 H new ATOM 0 HG2 ARG A 38 26.483 -15.558 27.221 1.00 0.00 H new ATOM 0 HG3 ARG A 38 27.065 -16.114 28.778 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.984 -15.095 27.992 1.00 0.00 H new ATOM 0 HD3 ARG A 38 29.258 -16.724 27.408 1.00 0.00 H new ATOM 0 HE ARG A 38 27.842 -15.418 25.357 1.00 0.00 H new ATOM 0 HH11 ARG A 38 30.893 -15.042 27.093 1.00 0.00 H new ATOM 0 HH12 ARG A 38 31.715 -14.294 25.720 1.00 0.00 H new ATOM 0 HH21 ARG A 38 28.906 -14.456 23.596 1.00 0.00 H new ATOM 0 HH22 ARG A 38 30.596 -13.963 23.749 1.00 0.00 H new ATOM 570 N ASP A 39 25.107 -16.997 30.004 1.00 0.00 N ATOM 571 CA ASP A 39 25.122 -16.751 31.441 1.00 0.00 C ATOM 572 C ASP A 39 23.931 -17.422 32.119 1.00 0.00 C ATOM 573 O ASP A 39 24.011 -17.823 33.280 1.00 0.00 O ATOM 574 CB ASP A 39 25.106 -15.248 31.723 1.00 0.00 C ATOM 575 CG ASP A 39 26.498 -14.680 31.918 1.00 0.00 C ATOM 576 OD1 ASP A 39 27.243 -15.213 32.767 1.00 0.00 O ATOM 577 OD2 ASP A 39 26.843 -13.704 31.220 1.00 0.00 O ATOM 0 H ASP A 39 24.626 -16.281 29.459 1.00 0.00 H new ATOM 0 HA ASP A 39 26.038 -17.179 31.849 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.619 -14.731 30.896 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.510 -15.055 32.615 1.00 0.00 H new ATOM 582 N SER A 40 22.828 -17.538 31.387 1.00 0.00 N ATOM 583 CA SER A 40 21.619 -18.156 31.920 1.00 0.00 C ATOM 584 C SER A 40 21.895 -19.585 32.376 1.00 0.00 C ATOM 585 O SER A 40 21.474 -19.996 33.458 1.00 0.00 O ATOM 586 CB SER A 40 20.511 -18.150 30.865 1.00 0.00 C ATOM 587 OG SER A 40 19.234 -18.030 31.468 1.00 0.00 O ATOM 0 H SER A 40 22.746 -17.213 30.424 1.00 0.00 H new ATOM 0 HA SER A 40 21.293 -17.575 32.783 1.00 0.00 H new ATOM 0 HB2 SER A 40 20.669 -17.324 30.172 1.00 0.00 H new ATOM 0 HB3 SER A 40 20.556 -19.069 30.281 1.00 0.00 H new ATOM 0 HG SER A 40 18.560 -17.867 30.776 1.00 0.00 H new ATOM 593 N PHE A 41 22.605 -20.339 31.543 1.00 0.00 N ATOM 594 CA PHE A 41 22.936 -21.723 31.859 1.00 0.00 C ATOM 595 C PHE A 41 24.012 -21.792 32.939 1.00 0.00 C ATOM 596 O PHE A 41 23.905 -22.568 33.889 1.00 0.00 O ATOM 597 CB PHE A 41 23.412 -22.456 30.602 1.00 0.00 C ATOM 598 CG PHE A 41 22.322 -22.686 29.595 1.00 0.00 C ATOM 599 CD1 PHE A 41 21.296 -23.580 29.856 1.00 0.00 C ATOM 600 CD2 PHE A 41 22.324 -22.009 28.386 1.00 0.00 C ATOM 601 CE1 PHE A 41 20.293 -23.795 28.930 1.00 0.00 C ATOM 602 CE2 PHE A 41 21.323 -22.219 27.456 1.00 0.00 C ATOM 603 CZ PHE A 41 20.306 -23.113 27.729 1.00 0.00 C ATOM 0 H PHE A 41 22.962 -20.015 30.644 1.00 0.00 H new ATOM 0 HA PHE A 41 22.036 -22.209 32.236 1.00 0.00 H new ATOM 0 HB2 PHE A 41 24.211 -21.880 30.136 1.00 0.00 H new ATOM 0 HB3 PHE A 41 23.838 -23.417 30.891 1.00 0.00 H new ATOM 0 HD1 PHE A 41 21.280 -24.115 30.794 1.00 0.00 H new ATOM 0 HD2 PHE A 41 23.117 -21.309 28.168 1.00 0.00 H new ATOM 0 HE1 PHE A 41 19.500 -24.496 29.145 1.00 0.00 H new ATOM 0 HE2 PHE A 41 21.336 -21.685 26.517 1.00 0.00 H new ATOM 0 HZ PHE A 41 19.522 -23.278 27.005 1.00 0.00 H new ATOM 613 N LEU A 42 25.049 -20.975 32.786 1.00 0.00 N ATOM 614 CA LEU A 42 26.145 -20.943 33.747 1.00 0.00 C ATOM 615 C LEU A 42 25.620 -20.751 35.166 1.00 0.00 C ATOM 616 O LEU A 42 25.771 -21.626 36.020 1.00 0.00 O ATOM 617 CB LEU A 42 27.123 -19.820 33.397 1.00 0.00 C ATOM 618 CG LEU A 42 28.107 -20.115 32.264 1.00 0.00 C ATOM 619 CD1 LEU A 42 28.700 -18.824 31.722 1.00 0.00 C ATOM 620 CD2 LEU A 42 29.208 -21.049 32.745 1.00 0.00 C ATOM 0 H LEU A 42 25.153 -20.326 32.006 1.00 0.00 H new ATOM 0 HA LEU A 42 26.666 -21.899 33.699 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.547 -18.934 33.129 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.694 -19.571 34.291 1.00 0.00 H new ATOM 0 HG LEU A 42 27.565 -20.608 31.457 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.398 -19.054 30.917 1.00 0.00 H new ATOM 0 HD12 LEU A 42 27.901 -18.189 31.339 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.227 -18.302 32.521 1.00 0.00 H new ATOM 0 HD21 LEU A 42 29.899 -21.248 31.926 1.00 0.00 H new ATOM 0 HD22 LEU A 42 29.747 -20.582 33.569 1.00 0.00 H new ATOM 0 HD23 LEU A 42 28.767 -21.986 33.084 1.00 0.00 H new ATOM 632 N THR A 43 25.001 -19.601 35.412 1.00 0.00 N ATOM 633 CA THR A 43 24.452 -19.294 36.727 1.00 0.00 C ATOM 634 C THR A 43 23.473 -20.372 37.179 1.00 0.00 C ATOM 635 O THR A 43 23.374 -20.674 38.368 1.00 0.00 O ATOM 636 CB THR A 43 23.735 -17.931 36.733 1.00 0.00 C ATOM 637 OG1 THR A 43 23.289 -17.617 38.057 1.00 0.00 O ATOM 638 CG2 THR A 43 22.548 -17.939 35.781 1.00 0.00 C ATOM 0 H THR A 43 24.867 -18.866 34.717 1.00 0.00 H new ATOM 0 HA THR A 43 25.293 -19.256 37.419 1.00 0.00 H new ATOM 0 HB THR A 43 24.443 -17.172 36.399 1.00 0.00 H new ATOM 0 HG1 THR A 43 22.836 -16.748 38.052 1.00 0.00 H new ATOM 0 HG21 THR A 43 22.058 -16.966 35.803 1.00 0.00 H new ATOM 0 HG22 THR A 43 22.895 -18.148 34.769 1.00 0.00 H new ATOM 0 HG23 THR A 43 21.840 -18.709 36.088 1.00 0.00 H new ATOM 646 N ALA A 44 22.752 -20.949 36.223 1.00 0.00 N ATOM 647 CA ALA A 44 21.783 -21.995 36.524 1.00 0.00 C ATOM 648 C ALA A 44 22.477 -23.262 37.012 1.00 0.00 C ATOM 649 O ALA A 44 21.859 -24.113 37.651 1.00 0.00 O ATOM 650 CB ALA A 44 20.934 -22.295 35.298 1.00 0.00 C ATOM 0 H ALA A 44 22.821 -20.710 35.234 1.00 0.00 H new ATOM 0 HA ALA A 44 21.134 -21.637 37.323 1.00 0.00 H new ATOM 0 HB1 ALA A 44 20.214 -23.078 35.537 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.402 -21.393 34.994 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.577 -22.629 34.483 1.00 0.00 H new ATOM 656 N GLY A 45 23.766 -23.381 36.707 1.00 0.00 N ATOM 657 CA GLY A 45 24.522 -24.548 37.122 1.00 0.00 C ATOM 658 C GLY A 45 24.953 -25.407 35.950 1.00 0.00 C ATOM 659 O GLY A 45 25.848 -26.243 36.079 1.00 0.00 O ATOM 0 H GLY A 45 24.300 -22.690 36.180 1.00 0.00 H new ATOM 0 HA2 GLY A 45 25.404 -24.227 37.677 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.917 -25.146 37.803 1.00 0.00 H new ATOM 663 N PHE A 46 24.314 -25.203 34.802 1.00 0.00 N ATOM 664 CA PHE A 46 24.635 -25.967 33.602 1.00 0.00 C ATOM 665 C PHE A 46 25.860 -25.389 32.901 1.00 0.00 C ATOM 666 O PHE A 46 25.740 -24.567 31.991 1.00 0.00 O ATOM 667 CB PHE A 46 23.442 -25.977 32.644 1.00 0.00 C ATOM 668 CG PHE A 46 22.135 -26.282 33.318 1.00 0.00 C ATOM 669 CD1 PHE A 46 21.927 -27.505 33.936 1.00 0.00 C ATOM 670 CD2 PHE A 46 21.113 -25.346 33.334 1.00 0.00 C ATOM 671 CE1 PHE A 46 20.725 -27.788 34.555 1.00 0.00 C ATOM 672 CE2 PHE A 46 19.909 -25.623 33.953 1.00 0.00 C ATOM 673 CZ PHE A 46 19.715 -26.846 34.565 1.00 0.00 C ATOM 0 H PHE A 46 23.571 -24.515 34.678 1.00 0.00 H new ATOM 0 HA PHE A 46 24.860 -26.991 33.902 1.00 0.00 H new ATOM 0 HB2 PHE A 46 23.371 -25.006 32.154 1.00 0.00 H new ATOM 0 HB3 PHE A 46 23.620 -26.716 31.863 1.00 0.00 H new ATOM 0 HD1 PHE A 46 22.714 -28.245 33.934 1.00 0.00 H new ATOM 0 HD2 PHE A 46 21.259 -24.388 32.857 1.00 0.00 H new ATOM 0 HE1 PHE A 46 20.575 -28.746 35.031 1.00 0.00 H new ATOM 0 HE2 PHE A 46 19.121 -24.884 33.958 1.00 0.00 H new ATOM 0 HZ PHE A 46 18.775 -27.065 35.050 1.00 0.00 H new ATOM 683 N THR A 47 27.041 -25.823 33.330 1.00 0.00 N ATOM 684 CA THR A 47 28.289 -25.349 32.746 1.00 0.00 C ATOM 685 C THR A 47 28.698 -26.205 31.553 1.00 0.00 C ATOM 686 O THR A 47 29.270 -25.705 30.585 1.00 0.00 O ATOM 687 CB THR A 47 29.430 -25.351 33.780 1.00 0.00 C ATOM 688 OG1 THR A 47 29.622 -26.673 34.295 1.00 0.00 O ATOM 689 CG2 THR A 47 29.126 -24.395 34.924 1.00 0.00 C ATOM 0 H THR A 47 27.159 -26.503 34.081 1.00 0.00 H new ATOM 0 HA THR A 47 28.113 -24.326 32.413 1.00 0.00 H new ATOM 0 HB THR A 47 30.341 -25.019 33.283 1.00 0.00 H new ATOM 0 HG1 THR A 47 30.350 -26.666 34.951 1.00 0.00 H new ATOM 0 HG21 THR A 47 29.946 -24.414 35.642 1.00 0.00 H new ATOM 0 HG22 THR A 47 29.009 -23.384 34.532 1.00 0.00 H new ATOM 0 HG23 THR A 47 28.204 -24.701 35.419 1.00 0.00 H new ATOM 697 N SER A 48 28.401 -27.498 31.629 1.00 0.00 N ATOM 698 CA SER A 48 28.741 -28.425 30.556 1.00 0.00 C ATOM 699 C SER A 48 27.500 -28.809 29.756 1.00 0.00 C ATOM 700 O SER A 48 26.371 -28.639 30.219 1.00 0.00 O ATOM 701 CB SER A 48 29.400 -29.681 31.128 1.00 0.00 C ATOM 702 OG SER A 48 30.704 -29.400 31.607 1.00 0.00 O ATOM 0 H SER A 48 27.926 -27.928 32.423 1.00 0.00 H new ATOM 0 HA SER A 48 29.443 -27.926 29.888 1.00 0.00 H new ATOM 0 HB2 SER A 48 28.789 -30.079 31.939 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.450 -30.452 30.359 1.00 0.00 H new ATOM 0 HG SER A 48 31.103 -30.219 31.969 1.00 0.00 H new ATOM 708 N LEU A 49 27.717 -29.326 28.552 1.00 0.00 N ATOM 709 CA LEU A 49 26.617 -29.735 27.685 1.00 0.00 C ATOM 710 C LEU A 49 26.010 -31.051 28.159 1.00 0.00 C ATOM 711 O LEU A 49 24.815 -31.291 27.989 1.00 0.00 O ATOM 712 CB LEU A 49 27.103 -29.875 26.241 1.00 0.00 C ATOM 713 CG LEU A 49 27.217 -28.576 25.442 1.00 0.00 C ATOM 714 CD1 LEU A 49 25.871 -27.873 25.372 1.00 0.00 C ATOM 715 CD2 LEU A 49 28.267 -27.661 26.057 1.00 0.00 C ATOM 0 H LEU A 49 28.645 -29.472 28.154 1.00 0.00 H new ATOM 0 HA LEU A 49 25.847 -28.964 27.729 1.00 0.00 H new ATOM 0 HB2 LEU A 49 28.080 -30.358 26.253 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.423 -30.544 25.713 1.00 0.00 H new ATOM 0 HG LEU A 49 27.529 -28.823 24.427 1.00 0.00 H new ATOM 0 HD11 LEU A 49 25.972 -26.951 24.800 1.00 0.00 H new ATOM 0 HD12 LEU A 49 25.145 -28.525 24.886 1.00 0.00 H new ATOM 0 HD13 LEU A 49 25.530 -27.639 26.380 1.00 0.00 H new ATOM 0 HD21 LEU A 49 28.334 -26.742 25.475 1.00 0.00 H new ATOM 0 HD22 LEU A 49 27.985 -27.422 27.082 1.00 0.00 H new ATOM 0 HD23 LEU A 49 29.234 -28.164 26.054 1.00 0.00 H new ATOM 727 N GLN A 50 26.841 -31.900 28.755 1.00 0.00 N ATOM 728 CA GLN A 50 26.386 -33.191 29.254 1.00 0.00 C ATOM 729 C GLN A 50 25.195 -33.023 30.192 1.00 0.00 C ATOM 730 O GLN A 50 24.357 -33.917 30.317 1.00 0.00 O ATOM 731 CB GLN A 50 27.523 -33.912 29.980 1.00 0.00 C ATOM 732 CG GLN A 50 28.144 -33.094 31.101 1.00 0.00 C ATOM 733 CD GLN A 50 29.003 -33.931 32.028 1.00 0.00 C ATOM 734 OE1 GLN A 50 28.537 -34.913 32.606 1.00 0.00 O ATOM 735 NE2 GLN A 50 30.265 -33.547 32.174 1.00 0.00 N ATOM 0 H GLN A 50 27.833 -31.716 28.904 1.00 0.00 H new ATOM 0 HA GLN A 50 26.072 -33.791 28.400 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.145 -34.848 30.391 1.00 0.00 H new ATOM 0 HB3 GLN A 50 28.298 -34.171 29.258 1.00 0.00 H new ATOM 0 HG2 GLN A 50 28.751 -32.297 30.671 1.00 0.00 H new ATOM 0 HG3 GLN A 50 27.352 -32.616 31.678 1.00 0.00 H new ATOM 0 HE21 GLN A 50 30.609 -32.726 31.675 1.00 0.00 H new ATOM 0 HE22 GLN A 50 30.891 -34.072 32.785 1.00 0.00 H new ATOM 744 N LEU A 51 25.125 -31.871 30.851 1.00 0.00 N ATOM 745 CA LEU A 51 24.037 -31.585 31.779 1.00 0.00 C ATOM 746 C LEU A 51 22.855 -30.951 31.052 1.00 0.00 C ATOM 747 O LEU A 51 21.710 -31.061 31.493 1.00 0.00 O ATOM 748 CB LEU A 51 24.521 -30.657 32.894 1.00 0.00 C ATOM 749 CG LEU A 51 25.662 -31.190 33.762 1.00 0.00 C ATOM 750 CD1 LEU A 51 26.131 -30.124 34.740 1.00 0.00 C ATOM 751 CD2 LEU A 51 25.224 -32.443 34.507 1.00 0.00 C ATOM 0 H LEU A 51 25.809 -31.120 30.759 1.00 0.00 H new ATOM 0 HA LEU A 51 23.709 -32.528 32.217 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.842 -29.717 32.444 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.675 -30.428 33.542 1.00 0.00 H new ATOM 0 HG LEU A 51 26.497 -31.450 33.112 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.943 -30.521 35.349 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.484 -29.253 34.187 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.302 -29.832 35.385 1.00 0.00 H new ATOM 0 HD21 LEU A 51 26.048 -32.809 35.120 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.373 -32.207 35.146 1.00 0.00 H new ATOM 0 HD23 LEU A 51 24.937 -33.211 33.789 1.00 0.00 H new ATOM 763 N VAL A 52 23.139 -30.289 29.935 1.00 0.00 N ATOM 764 CA VAL A 52 22.099 -29.640 29.145 1.00 0.00 C ATOM 765 C VAL A 52 21.377 -30.646 28.257 1.00 0.00 C ATOM 766 O VAL A 52 20.194 -30.487 27.952 1.00 0.00 O ATOM 767 CB VAL A 52 22.681 -28.519 28.265 1.00 0.00 C ATOM 768 CG1 VAL A 52 21.587 -27.876 27.426 1.00 0.00 C ATOM 769 CG2 VAL A 52 23.387 -27.480 29.123 1.00 0.00 C ATOM 0 H VAL A 52 24.081 -30.188 29.557 1.00 0.00 H new ATOM 0 HA VAL A 52 21.389 -29.207 29.850 1.00 0.00 H new ATOM 0 HB VAL A 52 23.415 -28.956 27.588 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.017 -27.086 26.811 1.00 0.00 H new ATOM 0 HG12 VAL A 52 21.131 -28.629 26.783 1.00 0.00 H new ATOM 0 HG13 VAL A 52 20.827 -27.451 28.082 1.00 0.00 H new ATOM 0 HG21 VAL A 52 23.792 -26.695 28.484 1.00 0.00 H new ATOM 0 HG22 VAL A 52 22.677 -27.045 29.826 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.199 -27.954 29.674 1.00 0.00 H new ATOM 779 N THR A 53 22.095 -31.685 27.842 1.00 0.00 N ATOM 780 CA THR A 53 21.523 -32.718 26.988 1.00 0.00 C ATOM 781 C THR A 53 20.345 -33.405 27.668 1.00 0.00 C ATOM 782 O THR A 53 19.468 -33.955 27.003 1.00 0.00 O ATOM 783 CB THR A 53 22.573 -33.780 26.610 1.00 0.00 C ATOM 784 OG1 THR A 53 22.983 -34.500 27.778 1.00 0.00 O ATOM 785 CG2 THR A 53 23.785 -33.134 25.956 1.00 0.00 C ATOM 0 H THR A 53 23.075 -31.833 28.084 1.00 0.00 H new ATOM 0 HA THR A 53 21.176 -32.221 26.082 1.00 0.00 H new ATOM 0 HB THR A 53 22.120 -34.470 25.898 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.413 -33.884 28.408 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.513 -33.904 25.698 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.475 -32.610 25.052 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.237 -32.425 26.649 1.00 0.00 H new ATOM 793 N GLN A 54 20.330 -33.367 28.997 1.00 0.00 N ATOM 794 CA GLN A 54 19.258 -33.987 29.766 1.00 0.00 C ATOM 795 C GLN A 54 18.259 -32.940 30.248 1.00 0.00 C ATOM 796 O GLN A 54 17.584 -33.131 31.259 1.00 0.00 O ATOM 797 CB GLN A 54 19.834 -34.748 30.962 1.00 0.00 C ATOM 798 CG GLN A 54 20.686 -33.886 31.879 1.00 0.00 C ATOM 799 CD GLN A 54 21.230 -34.657 33.065 1.00 0.00 C ATOM 800 OE1 GLN A 54 20.547 -34.829 34.075 1.00 0.00 O ATOM 801 NE2 GLN A 54 22.466 -35.127 32.949 1.00 0.00 N ATOM 0 H GLN A 54 21.048 -32.914 29.563 1.00 0.00 H new ATOM 0 HA GLN A 54 18.736 -34.689 29.115 1.00 0.00 H new ATOM 0 HB2 GLN A 54 19.014 -35.176 31.538 1.00 0.00 H new ATOM 0 HB3 GLN A 54 20.436 -35.580 30.597 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.517 -33.468 31.310 1.00 0.00 H new ATOM 0 HG3 GLN A 54 20.091 -33.046 32.238 1.00 0.00 H new ATOM 0 HE21 GLN A 54 22.997 -34.961 32.094 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.885 -35.654 33.715 1.00 0.00 H new ATOM 810 N MET A 55 18.172 -31.832 29.519 1.00 0.00 N ATOM 811 CA MET A 55 17.254 -30.755 29.872 1.00 0.00 C ATOM 812 C MET A 55 16.063 -30.722 28.921 1.00 0.00 C ATOM 813 O MET A 55 15.926 -31.582 28.050 1.00 0.00 O ATOM 814 CB MET A 55 17.980 -29.409 29.846 1.00 0.00 C ATOM 815 CG MET A 55 19.034 -29.265 30.932 1.00 0.00 C ATOM 816 SD MET A 55 18.324 -29.248 32.590 1.00 0.00 S ATOM 817 CE MET A 55 19.040 -30.738 33.279 1.00 0.00 C ATOM 0 H MET A 55 18.726 -31.656 28.681 1.00 0.00 H new ATOM 0 HA MET A 55 16.885 -30.941 30.881 1.00 0.00 H new ATOM 0 HB2 MET A 55 18.453 -29.280 28.873 1.00 0.00 H new ATOM 0 HB3 MET A 55 17.248 -28.609 29.953 1.00 0.00 H new ATOM 0 HG2 MET A 55 19.745 -30.087 30.854 1.00 0.00 H new ATOM 0 HG3 MET A 55 19.593 -28.343 30.771 1.00 0.00 H new ATOM 0 HE1 MET A 55 18.738 -30.839 34.321 1.00 0.00 H new ATOM 0 HE2 MET A 55 18.692 -31.603 32.715 1.00 0.00 H new ATOM 0 HE3 MET A 55 20.127 -30.680 33.221 1.00 0.00 H new ATOM 827 N THR A 56 15.201 -29.724 29.092 1.00 0.00 N ATOM 828 CA THR A 56 14.021 -29.580 28.250 1.00 0.00 C ATOM 829 C THR A 56 13.600 -28.119 28.138 1.00 0.00 C ATOM 830 O THR A 56 14.164 -27.248 28.800 1.00 0.00 O ATOM 831 CB THR A 56 12.838 -30.402 28.795 1.00 0.00 C ATOM 832 OG1 THR A 56 11.771 -30.418 27.841 1.00 0.00 O ATOM 833 CG2 THR A 56 12.339 -29.825 30.112 1.00 0.00 C ATOM 0 H THR A 56 15.299 -29.003 29.807 1.00 0.00 H new ATOM 0 HA THR A 56 14.290 -29.955 27.263 1.00 0.00 H new ATOM 0 HB THR A 56 13.183 -31.421 28.970 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.024 -30.944 28.195 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.503 -30.422 30.477 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.145 -29.842 30.845 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.010 -28.797 29.958 1.00 0.00 H new ATOM 841 N SER A 57 12.606 -27.857 27.295 1.00 0.00 N ATOM 842 CA SER A 57 12.112 -26.500 27.094 1.00 0.00 C ATOM 843 C SER A 57 11.773 -25.842 28.428 1.00 0.00 C ATOM 844 O SER A 57 11.947 -24.636 28.599 1.00 0.00 O ATOM 845 CB SER A 57 10.877 -26.513 26.191 1.00 0.00 C ATOM 846 OG SER A 57 10.628 -27.813 25.686 1.00 0.00 O ATOM 0 H SER A 57 12.127 -28.567 26.740 1.00 0.00 H new ATOM 0 HA SER A 57 12.900 -25.921 26.613 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.009 -26.165 26.751 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.021 -25.819 25.363 1.00 0.00 H new ATOM 0 HG SER A 57 9.833 -27.795 25.113 1.00 0.00 H new ATOM 852 N GLU A 58 11.287 -26.645 29.371 1.00 0.00 N ATOM 853 CA GLU A 58 10.923 -26.140 30.689 1.00 0.00 C ATOM 854 C GLU A 58 12.130 -25.522 31.388 1.00 0.00 C ATOM 855 O GLU A 58 12.049 -24.420 31.931 1.00 0.00 O ATOM 856 CB GLU A 58 10.344 -27.267 31.548 1.00 0.00 C ATOM 857 CG GLU A 58 9.043 -27.837 31.008 1.00 0.00 C ATOM 858 CD GLU A 58 8.317 -28.698 32.024 1.00 0.00 C ATOM 859 OE1 GLU A 58 8.939 -29.641 32.555 1.00 0.00 O ATOM 860 OE2 GLU A 58 7.126 -28.428 32.286 1.00 0.00 O ATOM 0 H GLU A 58 11.137 -27.646 29.246 1.00 0.00 H new ATOM 0 HA GLU A 58 10.166 -25.366 30.558 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.078 -28.069 31.624 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.176 -26.893 32.558 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.392 -27.019 30.700 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.252 -28.430 30.118 1.00 0.00 H new ATOM 867 N ASP A 59 13.248 -26.240 31.371 1.00 0.00 N ATOM 868 CA ASP A 59 14.473 -25.763 32.002 1.00 0.00 C ATOM 869 C ASP A 59 14.865 -24.392 31.460 1.00 0.00 C ATOM 870 O ASP A 59 15.394 -23.552 32.190 1.00 0.00 O ATOM 871 CB ASP A 59 15.611 -26.759 31.774 1.00 0.00 C ATOM 872 CG ASP A 59 16.931 -26.267 32.332 1.00 0.00 C ATOM 873 OD1 ASP A 59 17.017 -26.063 33.561 1.00 0.00 O ATOM 874 OD2 ASP A 59 17.880 -26.087 31.540 1.00 0.00 O ATOM 0 H ASP A 59 13.331 -27.155 30.927 1.00 0.00 H new ATOM 0 HA ASP A 59 14.289 -25.672 33.073 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.355 -27.711 32.239 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.718 -26.945 30.705 1.00 0.00 H new ATOM 879 N LEU A 60 14.603 -24.172 30.177 1.00 0.00 N ATOM 880 CA LEU A 60 14.929 -22.902 29.536 1.00 0.00 C ATOM 881 C LEU A 60 14.178 -21.750 30.196 1.00 0.00 C ATOM 882 O LEU A 60 14.733 -20.669 30.399 1.00 0.00 O ATOM 883 CB LEU A 60 14.591 -22.959 28.045 1.00 0.00 C ATOM 884 CG LEU A 60 14.991 -24.241 27.314 1.00 0.00 C ATOM 885 CD1 LEU A 60 14.669 -24.133 25.832 1.00 0.00 C ATOM 886 CD2 LEU A 60 16.469 -24.534 27.522 1.00 0.00 C ATOM 0 H LEU A 60 14.166 -24.856 29.559 1.00 0.00 H new ATOM 0 HA LEU A 60 15.999 -22.728 29.653 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.516 -22.820 27.931 1.00 0.00 H new ATOM 0 HB3 LEU A 60 15.075 -22.117 27.551 1.00 0.00 H new ATOM 0 HG LEU A 60 14.416 -25.068 27.729 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.961 -25.055 25.328 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.599 -23.972 25.703 1.00 0.00 H new ATOM 0 HD13 LEU A 60 15.217 -23.295 25.401 1.00 0.00 H new ATOM 0 HD21 LEU A 60 16.736 -25.450 26.995 1.00 0.00 H new ATOM 0 HD22 LEU A 60 17.062 -23.706 27.134 1.00 0.00 H new ATOM 0 HD23 LEU A 60 16.669 -24.657 28.586 1.00 0.00 H new ATOM 898 N LEU A 61 12.915 -21.989 30.531 1.00 0.00 N ATOM 899 CA LEU A 61 12.088 -20.972 31.171 1.00 0.00 C ATOM 900 C LEU A 61 12.474 -20.800 32.637 1.00 0.00 C ATOM 901 O LEU A 61 12.163 -19.782 33.255 1.00 0.00 O ATOM 902 CB LEU A 61 10.609 -21.347 31.062 1.00 0.00 C ATOM 903 CG LEU A 61 9.824 -20.660 29.944 1.00 0.00 C ATOM 904 CD1 LEU A 61 9.441 -21.662 28.866 1.00 0.00 C ATOM 905 CD2 LEU A 61 8.584 -19.978 30.504 1.00 0.00 C ATOM 0 H LEU A 61 12.441 -22.878 30.370 1.00 0.00 H new ATOM 0 HA LEU A 61 12.256 -20.026 30.657 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.538 -22.425 30.919 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.126 -21.118 32.012 1.00 0.00 H new ATOM 0 HG LEU A 61 10.462 -19.899 29.494 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.883 -21.154 28.079 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.343 -22.105 28.444 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.822 -22.446 29.302 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.038 -19.494 29.694 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.944 -20.721 30.981 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.881 -19.230 31.239 1.00 0.00 H new ATOM 917 N ARG A 62 13.153 -21.801 33.186 1.00 0.00 N ATOM 918 CA ARG A 62 13.582 -21.760 34.579 1.00 0.00 C ATOM 919 C ARG A 62 14.778 -20.828 34.753 1.00 0.00 C ATOM 920 O ARG A 62 14.869 -20.097 35.739 1.00 0.00 O ATOM 921 CB ARG A 62 13.942 -23.165 35.066 1.00 0.00 C ATOM 922 CG ARG A 62 12.763 -24.124 35.086 1.00 0.00 C ATOM 923 CD ARG A 62 12.433 -24.572 36.502 1.00 0.00 C ATOM 924 NE ARG A 62 11.595 -23.602 37.202 1.00 0.00 N ATOM 925 CZ ARG A 62 10.307 -23.416 36.935 1.00 0.00 C ATOM 926 NH1 ARG A 62 9.713 -24.130 35.989 1.00 0.00 N ATOM 927 NH2 ARG A 62 9.611 -22.514 37.616 1.00 0.00 N ATOM 0 H ARG A 62 13.418 -22.651 32.688 1.00 0.00 H new ATOM 0 HA ARG A 62 12.755 -21.377 35.176 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.721 -23.574 34.423 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.360 -23.096 36.070 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.892 -23.641 34.644 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.991 -24.995 34.471 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.922 -25.534 36.468 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.358 -24.721 37.060 1.00 0.00 H new ATOM 0 HE ARG A 62 12.022 -23.037 37.936 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.245 -24.824 35.464 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.724 -23.985 35.786 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.065 -21.963 38.345 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.622 -22.372 37.411 1.00 0.00 H new ATOM 941 N ILE A 63 15.692 -20.861 33.788 1.00 0.00 N ATOM 942 CA ILE A 63 16.881 -20.019 33.835 1.00 0.00 C ATOM 943 C ILE A 63 16.566 -18.597 33.382 1.00 0.00 C ATOM 944 O ILE A 63 17.216 -17.642 33.804 1.00 0.00 O ATOM 945 CB ILE A 63 18.008 -20.588 32.953 1.00 0.00 C ATOM 946 CG1 ILE A 63 17.590 -20.577 31.482 1.00 0.00 C ATOM 947 CG2 ILE A 63 18.366 -21.999 33.397 1.00 0.00 C ATOM 948 CD1 ILE A 63 18.682 -21.033 30.539 1.00 0.00 C ATOM 0 H ILE A 63 15.632 -21.461 32.965 1.00 0.00 H new ATOM 0 HA ILE A 63 17.215 -20.002 34.872 1.00 0.00 H new ATOM 0 HB ILE A 63 18.890 -19.957 33.065 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.720 -21.221 31.355 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.283 -19.568 31.208 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.164 -22.388 32.764 1.00 0.00 H new ATOM 0 HG22 ILE A 63 18.702 -21.980 34.434 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.489 -22.641 33.311 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.314 -20.999 29.513 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.545 -20.375 30.637 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.974 -22.054 30.787 1.00 0.00 H new ATOM 960 N GLY A 64 15.561 -18.465 32.521 1.00 0.00 N ATOM 961 CA GLY A 64 15.175 -17.156 32.027 1.00 0.00 C ATOM 962 C GLY A 64 14.665 -17.202 30.600 1.00 0.00 C ATOM 963 O GLY A 64 13.736 -16.478 30.243 1.00 0.00 O ATOM 0 H GLY A 64 15.008 -19.241 32.157 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.401 -16.741 32.673 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.031 -16.483 32.082 1.00 0.00 H new ATOM 967 N ILE A 65 15.275 -18.055 29.783 1.00 0.00 N ATOM 968 CA ILE A 65 14.877 -18.191 28.387 1.00 0.00 C ATOM 969 C ILE A 65 13.375 -18.426 28.265 1.00 0.00 C ATOM 970 O ILE A 65 12.886 -19.530 28.505 1.00 0.00 O ATOM 971 CB ILE A 65 15.624 -19.349 27.700 1.00 0.00 C ATOM 972 CG1 ILE A 65 17.136 -19.124 27.773 1.00 0.00 C ATOM 973 CG2 ILE A 65 15.173 -19.486 26.253 1.00 0.00 C ATOM 974 CD1 ILE A 65 17.946 -20.371 27.496 1.00 0.00 C ATOM 0 H ILE A 65 16.046 -18.661 30.063 1.00 0.00 H new ATOM 0 HA ILE A 65 15.138 -17.256 27.891 1.00 0.00 H new ATOM 0 HB ILE A 65 15.388 -20.275 28.223 1.00 0.00 H new ATOM 0 HG12 ILE A 65 17.415 -18.352 27.056 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.392 -18.747 28.763 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.710 -20.309 25.781 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.102 -19.687 26.223 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.383 -18.560 25.717 1.00 0.00 H new ATOM 0 HD11 ILE A 65 19.008 -20.137 27.565 1.00 0.00 H new ATOM 0 HD12 ILE A 65 17.695 -21.138 28.229 1.00 0.00 H new ATOM 0 HD13 ILE A 65 17.719 -20.737 26.495 1.00 0.00 H new ATOM 986 N THR A 66 12.647 -17.380 27.886 1.00 0.00 N ATOM 987 CA THR A 66 11.201 -17.472 27.730 1.00 0.00 C ATOM 988 C THR A 66 10.767 -17.008 26.344 1.00 0.00 C ATOM 989 O THR A 66 9.733 -16.356 26.192 1.00 0.00 O ATOM 990 CB THR A 66 10.467 -16.633 28.793 1.00 0.00 C ATOM 991 OG1 THR A 66 10.792 -15.247 28.633 1.00 0.00 O ATOM 992 CG2 THR A 66 10.841 -17.088 30.195 1.00 0.00 C ATOM 0 H THR A 66 13.036 -16.459 27.681 1.00 0.00 H new ATOM 0 HA THR A 66 10.935 -18.521 27.859 1.00 0.00 H new ATOM 0 HB THR A 66 9.395 -16.773 28.657 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.320 -14.720 29.311 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.310 -16.481 30.928 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.566 -18.135 30.323 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.915 -16.975 30.340 1.00 0.00 H new ATOM 1000 N LEU A 67 11.561 -17.349 25.336 1.00 0.00 N ATOM 1001 CA LEU A 67 11.259 -16.969 23.960 1.00 0.00 C ATOM 1002 C LEU A 67 10.953 -18.197 23.110 1.00 0.00 C ATOM 1003 O LEU A 67 11.852 -18.965 22.766 1.00 0.00 O ATOM 1004 CB LEU A 67 12.430 -16.193 23.355 1.00 0.00 C ATOM 1005 CG LEU A 67 12.338 -14.669 23.434 1.00 0.00 C ATOM 1006 CD1 LEU A 67 13.428 -14.114 24.338 1.00 0.00 C ATOM 1007 CD2 LEU A 67 12.433 -14.057 22.044 1.00 0.00 C ATOM 0 H LEU A 67 12.420 -17.888 25.445 1.00 0.00 H new ATOM 0 HA LEU A 67 10.376 -16.330 23.972 1.00 0.00 H new ATOM 0 HB2 LEU A 67 13.346 -16.508 23.855 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.525 -16.477 22.307 1.00 0.00 H new ATOM 0 HG LEU A 67 11.371 -14.404 23.861 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.346 -13.028 24.382 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.315 -14.527 25.340 1.00 0.00 H new ATOM 0 HD13 LEU A 67 14.405 -14.389 23.941 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.366 -12.972 22.119 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.385 -14.331 21.590 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.616 -14.429 21.426 1.00 0.00 H new ATOM 1019 N ALA A 68 9.680 -18.376 22.772 1.00 0.00 N ATOM 1020 CA ALA A 68 9.258 -19.509 21.958 1.00 0.00 C ATOM 1021 C ALA A 68 10.057 -19.582 20.662 1.00 0.00 C ATOM 1022 O ALA A 68 10.345 -20.667 20.159 1.00 0.00 O ATOM 1023 CB ALA A 68 7.769 -19.416 21.658 1.00 0.00 C ATOM 0 H ALA A 68 8.923 -17.751 23.049 1.00 0.00 H new ATOM 0 HA ALA A 68 9.448 -20.422 22.523 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.467 -20.268 21.049 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.209 -19.421 22.593 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.564 -18.492 21.117 1.00 0.00 H new ATOM 1029 N GLY A 69 10.413 -18.419 20.124 1.00 0.00 N ATOM 1030 CA GLY A 69 11.175 -18.374 18.890 1.00 0.00 C ATOM 1031 C GLY A 69 12.627 -18.756 19.092 1.00 0.00 C ATOM 1032 O GLY A 69 13.315 -19.134 18.142 1.00 0.00 O ATOM 0 H GLY A 69 10.187 -17.507 20.521 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.723 -19.048 18.163 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.122 -17.370 18.470 1.00 0.00 H new ATOM 1036 N HIS A 70 13.097 -18.658 20.331 1.00 0.00 N ATOM 1037 CA HIS A 70 14.479 -18.996 20.654 1.00 0.00 C ATOM 1038 C HIS A 70 14.594 -20.454 21.088 1.00 0.00 C ATOM 1039 O HIS A 70 15.440 -21.195 20.588 1.00 0.00 O ATOM 1040 CB HIS A 70 15.006 -18.080 21.758 1.00 0.00 C ATOM 1041 CG HIS A 70 15.352 -16.703 21.280 1.00 0.00 C ATOM 1042 ND1 HIS A 70 15.325 -15.594 22.098 1.00 0.00 N ATOM 1043 CD2 HIS A 70 15.736 -16.260 20.060 1.00 0.00 C ATOM 1044 CE1 HIS A 70 15.676 -14.527 21.402 1.00 0.00 C ATOM 1045 NE2 HIS A 70 15.931 -14.905 20.162 1.00 0.00 N ATOM 0 H HIS A 70 12.542 -18.347 21.128 1.00 0.00 H new ATOM 0 HA HIS A 70 15.081 -18.854 19.757 1.00 0.00 H new ATOM 0 HB2 HIS A 70 14.256 -18.005 22.545 1.00 0.00 H new ATOM 0 HB3 HIS A 70 15.891 -18.534 22.204 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.865 -16.861 19.172 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.743 -13.518 21.782 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.225 -14.290 19.403 1.00 0.00 H new ATOM 1053 N GLN A 71 13.739 -20.858 22.022 1.00 0.00 N ATOM 1054 CA GLN A 71 13.747 -22.227 22.524 1.00 0.00 C ATOM 1055 C GLN A 71 13.662 -23.228 21.377 1.00 0.00 C ATOM 1056 O GLN A 71 14.187 -24.338 21.467 1.00 0.00 O ATOM 1057 CB GLN A 71 12.583 -22.444 23.493 1.00 0.00 C ATOM 1058 CG GLN A 71 12.619 -21.525 24.703 1.00 0.00 C ATOM 1059 CD GLN A 71 11.237 -21.222 25.247 1.00 0.00 C ATOM 1060 OE1 GLN A 71 10.226 -21.554 24.627 1.00 0.00 O ATOM 1061 NE2 GLN A 71 11.185 -20.588 26.413 1.00 0.00 N ATOM 0 H GLN A 71 13.032 -20.257 22.446 1.00 0.00 H new ATOM 0 HA GLN A 71 14.686 -22.388 23.053 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.644 -22.292 22.960 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.593 -23.479 23.833 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.221 -21.986 25.486 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.111 -20.591 24.431 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.048 -20.331 26.893 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.282 -20.358 26.829 1.00 0.00 H new ATOM 1070 N LYS A 72 12.997 -22.829 20.298 1.00 0.00 N ATOM 1071 CA LYS A 72 12.844 -23.690 19.131 1.00 0.00 C ATOM 1072 C LYS A 72 14.204 -24.090 18.568 1.00 0.00 C ATOM 1073 O LYS A 72 14.371 -25.192 18.044 1.00 0.00 O ATOM 1074 CB LYS A 72 12.022 -22.981 18.053 1.00 0.00 C ATOM 1075 CG LYS A 72 10.908 -23.837 17.475 1.00 0.00 C ATOM 1076 CD LYS A 72 9.577 -23.106 17.491 1.00 0.00 C ATOM 1077 CE LYS A 72 9.445 -22.161 16.306 1.00 0.00 C ATOM 1078 NZ LYS A 72 8.736 -22.800 15.164 1.00 0.00 N ATOM 0 H LYS A 72 12.555 -21.914 20.207 1.00 0.00 H new ATOM 0 HA LYS A 72 12.320 -24.593 19.443 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.590 -22.074 18.476 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.687 -22.671 17.246 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.157 -24.118 16.452 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.824 -24.761 18.047 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.763 -23.830 17.472 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.481 -22.543 18.419 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.905 -21.266 16.614 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.436 -21.841 15.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.666 -22.124 14.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.265 -23.640 14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.781 -23.083 15.463 1.00 0.00 H new ATOM 1092 N LYS A 73 15.174 -23.189 18.679 1.00 0.00 N ATOM 1093 CA LYS A 73 16.520 -23.448 18.184 1.00 0.00 C ATOM 1094 C LYS A 73 17.332 -24.242 19.203 1.00 0.00 C ATOM 1095 O LYS A 73 18.075 -25.155 18.843 1.00 0.00 O ATOM 1096 CB LYS A 73 17.231 -22.131 17.864 1.00 0.00 C ATOM 1097 CG LYS A 73 18.550 -22.313 17.134 1.00 0.00 C ATOM 1098 CD LYS A 73 18.817 -21.169 16.171 1.00 0.00 C ATOM 1099 CE LYS A 73 19.877 -21.539 15.145 1.00 0.00 C ATOM 1100 NZ LYS A 73 19.316 -21.608 13.767 1.00 0.00 N ATOM 0 H LYS A 73 15.052 -22.272 19.108 1.00 0.00 H new ATOM 0 HA LYS A 73 16.436 -24.039 17.272 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.572 -21.510 17.257 1.00 0.00 H new ATOM 0 HB3 LYS A 73 17.411 -21.590 18.793 1.00 0.00 H new ATOM 0 HG2 LYS A 73 19.362 -22.377 17.858 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.537 -23.255 16.586 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.893 -20.899 15.660 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.141 -20.290 16.729 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.682 -20.804 15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.316 -22.502 15.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.070 -21.863 13.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.565 -22.327 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.920 -20.682 13.507 1.00 0.00 H new ATOM 1114 N ILE A 74 17.183 -23.888 20.475 1.00 0.00 N ATOM 1115 CA ILE A 74 17.900 -24.569 21.545 1.00 0.00 C ATOM 1116 C ILE A 74 17.515 -26.043 21.614 1.00 0.00 C ATOM 1117 O ILE A 74 18.359 -26.925 21.453 1.00 0.00 O ATOM 1118 CB ILE A 74 17.627 -23.914 22.912 1.00 0.00 C ATOM 1119 CG1 ILE A 74 18.038 -22.441 22.887 1.00 0.00 C ATOM 1120 CG2 ILE A 74 18.368 -24.658 24.014 1.00 0.00 C ATOM 1121 CD1 ILE A 74 17.614 -21.674 24.121 1.00 0.00 C ATOM 0 H ILE A 74 16.572 -23.134 20.789 1.00 0.00 H new ATOM 0 HA ILE A 74 18.962 -24.484 21.316 1.00 0.00 H new ATOM 0 HB ILE A 74 16.558 -23.970 23.118 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.121 -22.376 22.783 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.604 -21.966 22.007 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.165 -24.183 24.974 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.031 -25.694 24.043 1.00 0.00 H new ATOM 0 HG23 ILE A 74 19.439 -24.630 23.815 1.00 0.00 H new ATOM 0 HD11 ILE A 74 17.939 -20.637 24.034 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.529 -21.708 24.215 1.00 0.00 H new ATOM 0 HD13 ILE A 74 18.069 -22.124 25.003 1.00 0.00 H new ATOM 1133 N LEU A 75 16.234 -26.303 21.854 1.00 0.00 N ATOM 1134 CA LEU A 75 15.735 -27.671 21.942 1.00 0.00 C ATOM 1135 C LEU A 75 16.134 -28.477 20.710 1.00 0.00 C ATOM 1136 O LEU A 75 16.542 -29.633 20.818 1.00 0.00 O ATOM 1137 CB LEU A 75 14.213 -27.671 22.094 1.00 0.00 C ATOM 1138 CG LEU A 75 13.656 -26.855 23.262 1.00 0.00 C ATOM 1139 CD1 LEU A 75 12.152 -26.676 23.118 1.00 0.00 C ATOM 1140 CD2 LEU A 75 13.991 -27.523 24.587 1.00 0.00 C ATOM 0 H LEU A 75 15.523 -25.585 21.991 1.00 0.00 H new ATOM 0 HA LEU A 75 16.182 -28.138 22.820 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.775 -27.292 21.170 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.879 -28.703 22.205 1.00 0.00 H new ATOM 0 HG LEU A 75 14.122 -25.870 23.247 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.773 -26.093 23.958 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.935 -26.153 22.186 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.669 -27.653 23.107 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.587 -26.929 25.407 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.553 -28.521 24.612 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.073 -27.599 24.693 1.00 0.00 H new ATOM 1152 N ASN A 76 16.014 -27.858 19.540 1.00 0.00 N ATOM 1153 CA ASN A 76 16.364 -28.517 18.287 1.00 0.00 C ATOM 1154 C ASN A 76 17.801 -29.028 18.324 1.00 0.00 C ATOM 1155 O ASN A 76 18.149 -29.985 17.631 1.00 0.00 O ATOM 1156 CB ASN A 76 16.184 -27.554 17.112 1.00 0.00 C ATOM 1157 CG ASN A 76 14.896 -27.806 16.351 1.00 0.00 C ATOM 1158 OD1 ASN A 76 14.915 -28.088 15.153 1.00 0.00 O ATOM 1159 ND2 ASN A 76 13.769 -27.704 17.045 1.00 0.00 N ATOM 0 H ASN A 76 15.677 -26.901 19.433 1.00 0.00 H new ATOM 0 HA ASN A 76 15.697 -29.369 18.155 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.190 -26.529 17.482 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.030 -27.652 16.432 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.872 -27.862 16.586 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.800 -27.468 18.037 1.00 0.00 H new ATOM 1166 N SER A 77 18.632 -28.384 19.138 1.00 0.00 N ATOM 1167 CA SER A 77 20.032 -28.771 19.263 1.00 0.00 C ATOM 1168 C SER A 77 20.225 -29.748 20.419 1.00 0.00 C ATOM 1169 O SER A 77 20.940 -30.742 20.292 1.00 0.00 O ATOM 1170 CB SER A 77 20.908 -27.534 19.475 1.00 0.00 C ATOM 1171 OG SER A 77 22.166 -27.685 18.840 1.00 0.00 O ATOM 0 H SER A 77 18.360 -27.592 19.720 1.00 0.00 H new ATOM 0 HA SER A 77 20.330 -29.265 18.338 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.401 -26.654 19.080 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.054 -27.366 20.542 1.00 0.00 H new ATOM 0 HG SER A 77 22.426 -26.837 18.424 1.00 0.00 H new ATOM 1177 N ILE A 78 19.581 -29.457 21.544 1.00 0.00 N ATOM 1178 CA ILE A 78 19.680 -30.310 22.722 1.00 0.00 C ATOM 1179 C ILE A 78 19.212 -31.728 22.415 1.00 0.00 C ATOM 1180 O ILE A 78 19.814 -32.704 22.865 1.00 0.00 O ATOM 1181 CB ILE A 78 18.852 -29.750 23.894 1.00 0.00 C ATOM 1182 CG1 ILE A 78 19.321 -28.338 24.249 1.00 0.00 C ATOM 1183 CG2 ILE A 78 18.955 -30.669 25.102 1.00 0.00 C ATOM 1184 CD1 ILE A 78 18.405 -27.622 25.217 1.00 0.00 C ATOM 0 H ILE A 78 18.985 -28.638 21.665 1.00 0.00 H new ATOM 0 HA ILE A 78 20.731 -30.331 23.008 1.00 0.00 H new ATOM 0 HB ILE A 78 17.807 -29.699 23.590 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.320 -28.394 24.681 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.401 -27.750 23.335 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.365 -30.260 25.922 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.577 -31.657 24.841 1.00 0.00 H new ATOM 0 HG23 ILE A 78 19.997 -30.749 25.410 1.00 0.00 H new ATOM 0 HD11 ILE A 78 18.800 -26.627 25.423 1.00 0.00 H new ATOM 0 HD12 ILE A 78 17.410 -27.534 24.780 1.00 0.00 H new ATOM 0 HD13 ILE A 78 18.344 -28.188 26.147 1.00 0.00 H new ATOM 1196 N HIS A 79 18.134 -31.836 21.645 1.00 0.00 N ATOM 1197 CA HIS A 79 17.585 -33.136 21.275 1.00 0.00 C ATOM 1198 C HIS A 79 18.568 -33.912 20.404 1.00 0.00 C ATOM 1199 O HIS A 79 18.797 -35.102 20.619 1.00 0.00 O ATOM 1200 CB HIS A 79 16.258 -32.961 20.535 1.00 0.00 C ATOM 1201 CG HIS A 79 15.238 -34.001 20.882 1.00 0.00 C ATOM 1202 ND1 HIS A 79 13.895 -33.861 20.600 1.00 0.00 N ATOM 1203 CD2 HIS A 79 15.370 -35.203 21.489 1.00 0.00 C ATOM 1204 CE1 HIS A 79 13.245 -34.931 21.021 1.00 0.00 C ATOM 1205 NE2 HIS A 79 14.118 -35.761 21.564 1.00 0.00 N ATOM 0 H HIS A 79 17.623 -31.039 21.265 1.00 0.00 H new ATOM 0 HA HIS A 79 17.410 -33.703 22.189 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.852 -31.975 20.762 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.443 -32.990 19.461 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.289 -35.642 21.848 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.182 -35.099 20.936 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.897 -36.669 21.973 1.00 0.00 H new ATOM 1213 N SER A 80 19.145 -33.231 19.419 1.00 0.00 N ATOM 1214 CA SER A 80 20.100 -33.858 18.513 1.00 0.00 C ATOM 1215 C SER A 80 21.412 -34.160 19.231 1.00 0.00 C ATOM 1216 O SER A 80 22.143 -35.075 18.852 1.00 0.00 O ATOM 1217 CB SER A 80 20.361 -32.953 17.307 1.00 0.00 C ATOM 1218 OG SER A 80 21.100 -33.635 16.309 1.00 0.00 O ATOM 0 H SER A 80 18.968 -32.245 19.228 1.00 0.00 H new ATOM 0 HA SER A 80 19.671 -34.798 18.166 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.413 -32.612 16.892 1.00 0.00 H new ATOM 0 HB3 SER A 80 20.907 -32.065 17.626 1.00 0.00 H new ATOM 0 HG SER A 80 21.253 -33.036 15.548 1.00 0.00 H new ATOM 1224 N MET A 81 21.704 -33.383 20.269 1.00 0.00 N ATOM 1225 CA MET A 81 22.928 -33.567 21.041 1.00 0.00 C ATOM 1226 C MET A 81 22.885 -34.875 21.824 1.00 0.00 C ATOM 1227 O MET A 81 23.740 -35.743 21.649 1.00 0.00 O ATOM 1228 CB MET A 81 23.133 -32.392 21.999 1.00 0.00 C ATOM 1229 CG MET A 81 24.303 -31.498 21.621 1.00 0.00 C ATOM 1230 SD MET A 81 24.980 -30.605 23.034 1.00 0.00 S ATOM 1231 CE MET A 81 23.732 -29.342 23.265 1.00 0.00 C ATOM 0 H MET A 81 21.110 -32.620 20.595 1.00 0.00 H new ATOM 0 HA MET A 81 23.765 -33.609 20.344 1.00 0.00 H new ATOM 0 HB2 MET A 81 22.223 -31.793 22.027 1.00 0.00 H new ATOM 0 HB3 MET A 81 23.291 -32.778 23.006 1.00 0.00 H new ATOM 0 HG2 MET A 81 25.088 -32.105 21.170 1.00 0.00 H new ATOM 0 HG3 MET A 81 23.979 -30.782 20.865 1.00 0.00 H new ATOM 0 HE1 MET A 81 24.179 -28.358 23.121 1.00 0.00 H new ATOM 0 HE2 MET A 81 22.930 -29.486 22.541 1.00 0.00 H new ATOM 0 HE3 MET A 81 23.326 -29.412 24.274 1.00 0.00 H new ATOM 1241 N ARG A 82 21.884 -35.010 22.688 1.00 0.00 N ATOM 1242 CA ARG A 82 21.731 -36.212 23.499 1.00 0.00 C ATOM 1243 C ARG A 82 21.759 -37.463 22.626 1.00 0.00 C ATOM 1244 O ARG A 82 22.458 -38.430 22.932 1.00 0.00 O ATOM 1245 CB ARG A 82 20.421 -36.157 24.288 1.00 0.00 C ATOM 1246 CG ARG A 82 19.205 -35.849 23.430 1.00 0.00 C ATOM 1247 CD ARG A 82 17.974 -35.586 24.282 1.00 0.00 C ATOM 1248 NE ARG A 82 17.344 -36.825 24.731 1.00 0.00 N ATOM 1249 CZ ARG A 82 16.124 -36.882 25.254 1.00 0.00 C ATOM 1250 NH1 ARG A 82 15.407 -35.775 25.393 1.00 0.00 N ATOM 1251 NH2 ARG A 82 15.620 -38.047 25.639 1.00 0.00 N ATOM 0 H ARG A 82 21.167 -34.302 22.844 1.00 0.00 H new ATOM 0 HA ARG A 82 22.566 -36.258 24.198 1.00 0.00 H new ATOM 0 HB2 ARG A 82 20.268 -37.113 24.789 1.00 0.00 H new ATOM 0 HB3 ARG A 82 20.507 -35.399 25.066 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.410 -34.979 22.806 1.00 0.00 H new ATOM 0 HG3 ARG A 82 19.012 -36.685 22.758 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.254 -34.987 25.149 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.255 -35.001 23.709 1.00 0.00 H new ATOM 0 HE ARG A 82 17.870 -37.694 24.638 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.792 -34.878 25.098 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.471 -35.821 25.795 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.169 -38.900 25.534 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.683 -38.090 26.040 1.00 0.00 H new