USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 841 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 125 ASN : amide:sc= -0.254 X(o=0.55,f=0.96) USER MOD Set 1.2: A 126 ASN : amide:sc= 0.805 K(o=0.55,f=-1) USER MOD Set 2.1: A 41 ASN : amide:sc= 0.832 K(o=2.1,f=-9.8!) USER MOD Set 2.2: A 103 LYS NZ :NH3+ 179:sc= 1.27 (180deg=-0.00618) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.733 K(o=2.8,f=-9!) USER MOD Set 3.2: A 34 LYS NZ :NH3+ -121:sc= 2.11 (180deg=-1.04) USER MOD Single : A 22 MET CE :methyl -167:sc= -0.299 (180deg=-0.884) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0036 USER MOD Single : A 36 THR OG1 : rot -74:sc= 1.13 USER MOD Single : A 37 SER OG : rot -25:sc= 0.34 USER MOD Single : A 38 CYS SG : rot -87:sc= -2.76! USER MOD Single : A 39 ASN : amide:sc= -0.0951 X(o=-0.095,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.91 K(o=-0.91,f=-4.8!) USER MOD Single : A 69 GLN : amide:sc= 0.247 X(o=0.25,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.486 F(o=-1.9!,f=-0.49) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 1.07 (180deg=0.996) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.28 USER MOD Single : A 78 LYS NZ :NH3+ -133:sc= 0.555 (180deg=-1.07!) USER MOD Single : A 80 ASN : amide:sc= -0.0305 K(o=-0.03,f=-4.2!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.908 K(o=-0.91,f=-5.5!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.093) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -22:sc= 0.252 USER MOD Single : A 98 THR OG1 : rot 94:sc= -0.433 USER MOD Single : A 101 MET CE :methyl -154:sc=-0.00752 (180deg=-1.43) USER MOD Single : A 104 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.02) USER MOD Single : A 107 LYS NZ :NH3+ -152:sc= -1.92! (180deg=-3.38!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.83) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.857) USER MOD Single : A 121 SER OG : rot 77:sc= 1.19 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.63 F(o=-1.6,f=-0.63) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 -8.232 -27.073 -12.093 1.00 71.32 N ATOM 308 CA MET A 22 -7.262 -28.173 -11.986 1.00 14.44 C ATOM 309 C MET A 22 -7.900 -29.501 -12.387 1.00 34.21 C ATOM 310 O MET A 22 -7.197 -30.461 -12.723 1.00 25.22 O ATOM 311 CB MET A 22 -6.690 -28.273 -10.561 1.00 32.01 C ATOM 312 CG MET A 22 -5.508 -27.348 -10.299 1.00 64.35 C ATOM 313 SD MET A 22 -4.029 -27.818 -11.231 1.00 62.34 S ATOM 314 CE MET A 22 -3.644 -29.422 -10.516 1.00 41.55 C ATOM 0 HA MET A 22 -6.443 -27.956 -12.672 1.00 14.44 H new ATOM 0 HB2 MET A 22 -7.481 -28.045 -9.847 1.00 32.01 H new ATOM 0 HB3 MET A 22 -6.380 -29.302 -10.377 1.00 32.01 H new ATOM 0 HG2 MET A 22 -5.787 -26.327 -10.560 1.00 64.35 H new ATOM 0 HG3 MET A 22 -5.277 -27.353 -9.234 1.00 64.35 H new ATOM 0 HE1 MET A 22 -2.642 -29.725 -10.821 1.00 41.55 H new ATOM 0 HE2 MET A 22 -3.688 -29.356 -9.429 1.00 41.55 H new ATOM 0 HE3 MET A 22 -4.368 -30.159 -10.864 1.00 41.55 H new ATOM 324 N ILE A 23 -9.230 -29.551 -12.343 1.00 11.52 N ATOM 325 CA ILE A 23 -9.969 -30.719 -12.799 1.00 62.20 C ATOM 326 C ILE A 23 -9.823 -30.823 -14.318 1.00 11.52 C ATOM 327 O ILE A 23 -10.660 -30.324 -15.078 1.00 51.53 O ATOM 328 CB ILE A 23 -11.471 -30.647 -12.409 1.00 4.53 C ATOM 329 CG1 ILE A 23 -11.637 -30.155 -10.956 1.00 14.53 C ATOM 330 CG2 ILE A 23 -12.139 -32.011 -12.594 1.00 3.25 C ATOM 331 CD1 ILE A 23 -10.922 -31.003 -9.921 1.00 12.43 C ATOM 0 H ILE A 23 -9.816 -28.792 -11.995 1.00 11.52 H new ATOM 0 HA ILE A 23 -9.557 -31.604 -12.313 1.00 62.20 H new ATOM 0 HB ILE A 23 -11.960 -29.930 -13.069 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -11.268 -29.132 -10.887 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -12.699 -30.127 -10.714 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -13.191 -31.942 -12.316 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -12.059 -32.317 -13.637 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -11.644 -32.747 -11.961 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -11.092 -30.586 -8.928 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -11.307 -32.022 -9.957 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -9.853 -31.011 -10.133 1.00 12.43 H new ATOM 343 N GLU A 24 -8.725 -31.441 -14.737 1.00 63.12 N ATOM 344 CA GLU A 24 -8.304 -31.453 -16.133 1.00 10.03 C ATOM 345 C GLU A 24 -9.327 -32.192 -17.000 1.00 51.50 C ATOM 346 O GLU A 24 -9.518 -33.402 -16.866 1.00 10.23 O ATOM 347 CB GLU A 24 -6.906 -32.093 -16.228 1.00 41.42 C ATOM 348 CG GLU A 24 -6.128 -31.754 -17.497 1.00 40.21 C ATOM 349 CD GLU A 24 -4.644 -32.083 -17.365 1.00 32.25 C ATOM 350 OE1 GLU A 24 -3.971 -31.471 -16.505 1.00 35.10 O ATOM 351 OE2 GLU A 24 -4.140 -32.952 -18.104 1.00 70.14 O1- ATOM 0 H GLU A 24 -8.098 -31.951 -14.114 1.00 63.12 H new ATOM 0 HA GLU A 24 -8.247 -30.432 -16.511 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -6.319 -31.779 -15.365 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -7.013 -33.176 -16.163 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -6.548 -32.306 -18.338 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -6.245 -30.694 -17.721 1.00 40.21 H new ATOM 358 N GLN A 25 -10.005 -31.444 -17.869 1.00 3.42 N ATOM 359 CA GLN A 25 -11.055 -31.999 -18.717 1.00 70.21 C ATOM 360 C GLN A 25 -10.453 -32.718 -19.922 1.00 62.55 C ATOM 361 O GLN A 25 -9.576 -32.183 -20.605 1.00 71.41 O ATOM 362 CB GLN A 25 -12.018 -30.892 -19.177 1.00 35.52 C ATOM 363 CG GLN A 25 -11.361 -29.803 -20.021 1.00 35.52 C ATOM 364 CD GLN A 25 -12.322 -28.694 -20.419 1.00 34.41 C ATOM 365 OE1 GLN A 25 -13.259 -28.367 -19.689 1.00 41.35 O ATOM 366 NE2 GLN A 25 -12.105 -28.116 -21.590 1.00 13.53 N ATOM 0 H GLN A 25 -9.843 -30.446 -18.004 1.00 3.42 H new ATOM 0 HA GLN A 25 -11.618 -32.726 -18.131 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -12.826 -31.344 -19.752 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -12.471 -30.432 -18.299 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -10.529 -29.372 -19.463 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -10.942 -30.253 -20.921 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -11.319 -28.413 -22.168 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -12.724 -27.373 -21.915 1.00 13.53 H new ATOM 375 N ILE A 26 -10.920 -33.935 -20.170 1.00 73.45 N ATOM 376 CA ILE A 26 -10.449 -34.740 -21.295 1.00 30.23 C ATOM 377 C ILE A 26 -11.624 -35.421 -21.996 1.00 44.22 C ATOM 378 O ILE A 26 -12.718 -35.531 -21.433 1.00 73.54 O ATOM 379 CB ILE A 26 -9.432 -35.823 -20.843 1.00 32.02 C ATOM 380 CG1 ILE A 26 -10.039 -36.716 -19.744 1.00 24.53 C ATOM 381 CG2 ILE A 26 -8.124 -35.183 -20.367 1.00 54.44 C ATOM 382 CD1 ILE A 26 -9.143 -37.861 -19.317 1.00 35.42 C ATOM 0 H ILE A 26 -11.633 -34.392 -19.601 1.00 73.45 H new ATOM 0 HA ILE A 26 -9.949 -34.061 -21.986 1.00 30.23 H new ATOM 0 HB ILE A 26 -9.203 -36.452 -21.703 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -10.265 -36.100 -18.873 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -10.985 -37.122 -20.101 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -7.429 -35.963 -20.056 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -7.683 -34.608 -21.181 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -8.328 -34.522 -19.525 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -9.641 -38.443 -18.541 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -8.937 -38.501 -20.175 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -8.206 -37.464 -18.928 1.00 35.42 H new ATOM 394 N GLY A 27 -11.392 -35.876 -23.223 1.00 62.23 N ATOM 395 CA GLY A 27 -12.419 -36.583 -23.969 1.00 35.05 C ATOM 396 C GLY A 27 -12.332 -38.083 -23.767 1.00 75.43 C ATOM 397 O GLY A 27 -11.399 -38.574 -23.126 1.00 55.43 O ATOM 0 H GLY A 27 -10.506 -35.767 -23.717 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -13.402 -36.231 -23.657 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -12.320 -36.353 -25.030 1.00 35.05 H new ATOM 401 N ASP A 28 -13.298 -38.812 -24.321 1.00 55.22 N ATOM 402 CA ASP A 28 -13.331 -40.272 -24.215 1.00 30.13 C ATOM 403 C ASP A 28 -12.017 -40.867 -24.720 1.00 31.43 C ATOM 404 O ASP A 28 -11.399 -41.700 -24.053 1.00 52.43 O ATOM 405 CB ASP A 28 -14.509 -40.843 -25.021 1.00 2.44 C ATOM 406 CG ASP A 28 -14.671 -42.351 -24.856 1.00 31.34 C ATOM 407 OD1 ASP A 28 -15.559 -42.780 -24.085 1.00 33.35 O ATOM 408 OD2 ASP A 28 -13.918 -43.116 -25.498 1.00 65.03 O1- ATOM 0 H ASP A 28 -14.073 -38.414 -24.851 1.00 55.22 H new ATOM 0 HA ASP A 28 -13.462 -40.539 -23.166 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -15.429 -40.348 -24.709 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -14.365 -40.612 -26.077 1.00 2.44 H new ATOM 413 N SER A 29 -11.587 -40.403 -25.889 1.00 43.14 N ATOM 414 CA SER A 29 -10.358 -40.875 -26.521 1.00 21.41 C ATOM 415 C SER A 29 -9.141 -40.629 -25.622 1.00 74.42 C ATOM 416 O SER A 29 -8.131 -41.328 -25.715 1.00 31.25 O ATOM 417 CB SER A 29 -10.179 -40.161 -27.866 1.00 13.32 C ATOM 418 OG SER A 29 -11.395 -40.157 -28.598 1.00 44.32 O ATOM 0 H SER A 29 -12.080 -39.689 -26.426 1.00 43.14 H new ATOM 0 HA SER A 29 -10.436 -41.950 -26.682 1.00 21.41 H new ATOM 0 HB2 SER A 29 -9.847 -39.137 -27.698 1.00 13.32 H new ATOM 0 HB3 SER A 29 -9.401 -40.657 -28.446 1.00 13.32 H new ATOM 0 HG SER A 29 -11.261 -39.696 -29.452 1.00 44.32 H new ATOM 424 N GLU A 30 -9.250 -39.637 -24.743 1.00 44.24 N ATOM 425 CA GLU A 30 -8.151 -39.266 -23.857 1.00 41.13 C ATOM 426 C GLU A 30 -8.185 -40.064 -22.557 1.00 44.35 C ATOM 427 O GLU A 30 -7.172 -40.163 -21.873 1.00 55.03 O ATOM 428 CB GLU A 30 -8.195 -37.765 -23.544 1.00 34.32 C ATOM 429 CG GLU A 30 -7.894 -36.873 -24.742 1.00 30.32 C ATOM 430 CD GLU A 30 -6.492 -37.090 -25.287 1.00 70.04 C ATOM 431 OE1 GLU A 30 -5.540 -36.499 -24.740 1.00 75.54 O ATOM 432 OE2 GLU A 30 -6.332 -37.858 -26.257 1.00 72.31 O1- ATOM 0 H GLU A 30 -10.092 -39.073 -24.625 1.00 44.24 H new ATOM 0 HA GLU A 30 -7.221 -39.499 -24.376 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -9.182 -37.514 -23.156 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -7.477 -37.548 -22.753 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -8.622 -37.069 -25.530 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -8.011 -35.829 -24.453 1.00 30.32 H new ATOM 439 N PHE A 31 -9.342 -40.630 -22.222 1.00 52.35 N ATOM 440 CA PHE A 31 -9.504 -41.352 -20.958 1.00 4.33 C ATOM 441 C PHE A 31 -8.464 -42.468 -20.827 1.00 54.44 C ATOM 442 O PHE A 31 -7.616 -42.438 -19.930 1.00 42.52 O ATOM 443 CB PHE A 31 -10.925 -41.927 -20.855 1.00 52.22 C ATOM 444 CG PHE A 31 -11.175 -42.717 -19.593 1.00 11.55 C ATOM 445 CD1 PHE A 31 -11.197 -44.104 -19.617 1.00 31.15 C ATOM 446 CD2 PHE A 31 -11.382 -42.069 -18.383 1.00 33.32 C ATOM 447 CE1 PHE A 31 -11.426 -44.829 -18.463 1.00 3.32 C ATOM 448 CE2 PHE A 31 -11.610 -42.789 -17.226 1.00 65.25 C ATOM 449 CZ PHE A 31 -11.630 -44.170 -17.265 1.00 11.43 C ATOM 0 H PHE A 31 -10.179 -40.604 -22.804 1.00 52.35 H new ATOM 0 HA PHE A 31 -9.348 -40.649 -20.140 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -11.642 -41.108 -20.908 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -11.110 -42.569 -21.716 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -11.033 -44.624 -20.549 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -11.365 -40.990 -18.346 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -11.446 -45.908 -18.497 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -11.773 -42.273 -16.292 1.00 65.25 H new ATOM 0 HZ PHE A 31 -11.805 -44.734 -16.361 1.00 11.43 H new ATOM 459 N ASP A 32 -8.512 -43.425 -21.749 1.00 24.45 N ATOM 460 CA ASP A 32 -7.588 -44.558 -21.737 1.00 14.44 C ATOM 461 C ASP A 32 -6.149 -44.057 -21.819 1.00 54.45 C ATOM 462 O ASP A 32 -5.293 -44.447 -21.021 1.00 73.42 O ATOM 463 CB ASP A 32 -7.888 -45.499 -22.912 1.00 2.53 C ATOM 464 CG ASP A 32 -7.000 -46.737 -22.924 1.00 22.33 C ATOM 465 OD1 ASP A 32 -5.877 -46.671 -23.472 1.00 54.10 O ATOM 466 OD2 ASP A 32 -7.429 -47.789 -22.405 1.00 35.01 O1- ATOM 0 H ASP A 32 -9.183 -43.440 -22.517 1.00 24.45 H new ATOM 0 HA ASP A 32 -7.718 -45.110 -20.806 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -8.932 -45.808 -22.866 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -7.758 -44.956 -23.848 1.00 2.53 H new ATOM 471 N ASN A 33 -5.916 -43.165 -22.780 1.00 43.22 N ATOM 472 CA ASN A 33 -4.595 -42.582 -23.021 1.00 4.32 C ATOM 473 C ASN A 33 -3.974 -42.047 -21.728 1.00 12.24 C ATOM 474 O ASN A 33 -2.904 -42.490 -21.310 1.00 43.20 O ATOM 475 CB ASN A 33 -4.724 -41.450 -24.058 1.00 4.00 C ATOM 476 CG ASN A 33 -3.434 -40.669 -24.259 1.00 1.45 C ATOM 477 OD1 ASN A 33 -3.176 -39.682 -23.563 1.00 34.52 O ATOM 478 ND2 ASN A 33 -2.631 -41.088 -25.225 1.00 23.04 N ATOM 0 H ASN A 33 -6.638 -42.825 -23.415 1.00 43.22 H new ATOM 0 HA ASN A 33 -3.936 -43.361 -23.403 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -5.036 -41.874 -25.012 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -5.510 -40.765 -23.742 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -1.762 -40.590 -25.417 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -2.882 -41.908 -25.777 1.00 23.04 H new ATOM 485 N LYS A 34 -4.682 -41.139 -21.075 1.00 32.10 N ATOM 486 CA LYS A 34 -4.175 -40.457 -19.888 1.00 63.34 C ATOM 487 C LYS A 34 -4.014 -41.427 -18.717 1.00 13.43 C ATOM 488 O LYS A 34 -2.991 -41.415 -18.028 1.00 20.22 O ATOM 489 CB LYS A 34 -5.117 -39.301 -19.515 1.00 42.13 C ATOM 490 CG LYS A 34 -5.172 -38.200 -20.574 1.00 54.23 C ATOM 491 CD LYS A 34 -3.898 -37.356 -20.583 1.00 2.25 C ATOM 492 CE LYS A 34 -3.848 -36.418 -21.783 1.00 10.31 C ATOM 493 NZ LYS A 34 -3.676 -37.161 -23.060 1.00 61.25 N1+ ATOM 0 H LYS A 34 -5.622 -40.853 -21.349 1.00 32.10 H new ATOM 0 HA LYS A 34 -3.188 -40.053 -20.114 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -6.121 -39.696 -19.359 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -4.793 -38.869 -18.568 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -5.318 -38.648 -21.557 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -6.032 -37.558 -20.386 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -3.842 -36.773 -19.664 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -3.028 -38.012 -20.598 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -4.766 -35.832 -21.825 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -3.026 -35.713 -21.659 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -2.807 -36.841 -23.533 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -3.608 -38.180 -22.862 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -4.493 -36.982 -23.679 1.00 61.25 H new ATOM 507 N VAL A 35 -5.014 -42.284 -18.519 1.00 1.14 N ATOM 508 CA VAL A 35 -5.007 -43.234 -17.406 1.00 22.00 C ATOM 509 C VAL A 35 -3.828 -44.209 -17.500 1.00 74.14 C ATOM 510 O VAL A 35 -3.220 -44.557 -16.485 1.00 12.35 O ATOM 511 CB VAL A 35 -6.344 -44.022 -17.331 1.00 71.34 C ATOM 512 CG1 VAL A 35 -6.251 -45.185 -16.342 1.00 55.41 C ATOM 513 CG2 VAL A 35 -7.491 -43.084 -16.949 1.00 4.12 C ATOM 0 H VAL A 35 -5.840 -42.341 -19.115 1.00 1.14 H new ATOM 0 HA VAL A 35 -4.893 -42.651 -16.492 1.00 22.00 H new ATOM 0 HB VAL A 35 -6.544 -44.441 -18.317 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -7.203 -45.715 -16.314 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -5.464 -45.869 -16.658 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -6.020 -44.800 -15.349 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -8.422 -43.649 -16.900 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -7.286 -42.636 -15.976 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -7.583 -42.298 -17.698 1.00 4.12 H new ATOM 523 N THR A 36 -3.506 -44.649 -18.712 1.00 14.23 N ATOM 524 CA THR A 36 -2.431 -45.621 -18.911 1.00 5.43 C ATOM 525 C THR A 36 -1.057 -44.949 -19.038 1.00 53.41 C ATOM 526 O THR A 36 -0.039 -45.523 -18.640 1.00 51.32 O ATOM 527 CB THR A 36 -2.690 -46.502 -20.158 1.00 11.34 C ATOM 528 OG1 THR A 36 -2.816 -45.680 -21.327 1.00 35.24 O ATOM 529 CG2 THR A 36 -3.957 -47.338 -19.987 1.00 31.14 C ATOM 0 H THR A 36 -3.971 -44.351 -19.570 1.00 14.23 H new ATOM 0 HA THR A 36 -2.423 -46.252 -18.022 1.00 5.43 H new ATOM 0 HB THR A 36 -1.841 -47.175 -20.274 1.00 11.34 H new ATOM 0 HG1 THR A 36 -3.686 -45.229 -21.317 1.00 35.24 H new ATOM 0 HG21 THR A 36 -4.114 -47.947 -20.877 1.00 31.14 H new ATOM 0 HG22 THR A 36 -3.850 -47.987 -19.118 1.00 31.14 H new ATOM 0 HG23 THR A 36 -4.812 -46.677 -19.843 1.00 31.14 H new ATOM 537 N SER A 37 -1.034 -43.731 -19.581 1.00 74.54 N ATOM 538 CA SER A 37 0.221 -43.049 -19.910 1.00 42.32 C ATOM 539 C SER A 37 0.848 -42.362 -18.694 1.00 73.45 C ATOM 540 O SER A 37 1.979 -41.874 -18.779 1.00 65.42 O ATOM 541 CB SER A 37 -0.011 -42.024 -21.031 1.00 1.24 C ATOM 542 OG SER A 37 1.210 -41.439 -21.471 1.00 11.40 O ATOM 0 H SER A 37 -1.872 -43.194 -19.803 1.00 74.54 H new ATOM 0 HA SER A 37 0.922 -43.812 -20.249 1.00 42.32 H new ATOM 0 HB2 SER A 37 -0.505 -42.510 -21.872 1.00 1.24 H new ATOM 0 HB3 SER A 37 -0.682 -41.242 -20.676 1.00 1.24 H new ATOM 0 HG SER A 37 1.873 -41.486 -20.751 1.00 11.40 H new ATOM 548 N CYS A 38 0.128 -42.307 -17.573 1.00 31.04 N ATOM 549 CA CYS A 38 0.667 -41.691 -16.361 1.00 10.42 C ATOM 550 C CYS A 38 1.961 -42.397 -15.937 1.00 51.55 C ATOM 551 O CYS A 38 2.003 -43.627 -15.834 1.00 23.12 O ATOM 552 CB CYS A 38 -0.370 -41.709 -15.232 1.00 55.23 C ATOM 553 SG CYS A 38 -1.091 -43.331 -14.907 1.00 22.33 S ATOM 0 H CYS A 38 -0.818 -42.677 -17.479 1.00 31.04 H new ATOM 0 HA CYS A 38 0.902 -40.649 -16.576 1.00 10.42 H new ATOM 0 HB2 CYS A 38 0.099 -41.344 -14.318 1.00 55.23 H new ATOM 0 HB3 CYS A 38 -1.171 -41.012 -15.480 1.00 55.23 H new ATOM 0 HG CYS A 38 -2.110 -43.518 -15.692 1.00 22.33 H new ATOM 559 N ASN A 39 3.008 -41.601 -15.697 1.00 72.42 N ATOM 560 CA ASN A 39 4.373 -42.111 -15.516 1.00 15.33 C ATOM 561 C ASN A 39 4.446 -43.258 -14.500 1.00 11.44 C ATOM 562 O ASN A 39 4.607 -44.420 -14.880 1.00 34.54 O ATOM 563 CB ASN A 39 5.322 -40.973 -15.096 1.00 42.12 C ATOM 564 CG ASN A 39 6.786 -41.395 -15.096 1.00 14.24 C ATOM 565 OD1 ASN A 39 7.473 -41.287 -16.114 1.00 23.53 O ATOM 566 ND2 ASN A 39 7.279 -41.865 -13.959 1.00 10.15 N ATOM 0 H ASN A 39 2.934 -40.586 -15.623 1.00 72.42 H new ATOM 0 HA ASN A 39 4.688 -42.513 -16.479 1.00 15.33 H new ATOM 0 HB2 ASN A 39 5.192 -40.129 -15.773 1.00 42.12 H new ATOM 0 HB3 ASN A 39 5.048 -40.627 -14.099 1.00 42.12 H new ATOM 0 HD21 ASN A 39 8.257 -42.151 -13.907 1.00 10.15 H new ATOM 0 HD22 ASN A 39 6.681 -41.940 -13.136 1.00 10.15 H new ATOM 573 N ASP A 40 4.330 -42.932 -13.212 1.00 2.41 N ATOM 574 CA ASP A 40 4.470 -43.935 -12.152 1.00 42.21 C ATOM 575 C ASP A 40 3.864 -43.429 -10.847 1.00 11.11 C ATOM 576 O ASP A 40 4.133 -42.301 -10.434 1.00 52.12 O ATOM 577 CB ASP A 40 5.952 -44.280 -11.942 1.00 54.20 C ATOM 578 CG ASP A 40 6.167 -45.343 -10.875 1.00 63.42 C ATOM 579 OD1 ASP A 40 6.460 -44.982 -9.719 1.00 24.22 O ATOM 580 OD2 ASP A 40 6.046 -46.546 -11.194 1.00 1.42 O1- ATOM 0 H ASP A 40 4.141 -41.987 -12.877 1.00 2.41 H new ATOM 0 HA ASP A 40 3.934 -44.834 -12.458 1.00 42.21 H new ATOM 0 HB2 ASP A 40 6.376 -44.627 -12.884 1.00 54.20 H new ATOM 0 HB3 ASP A 40 6.494 -43.377 -11.662 1.00 54.20 H new ATOM 585 N ASN A 41 3.042 -44.272 -10.216 1.00 20.22 N ATOM 586 CA ASN A 41 2.361 -43.934 -8.955 1.00 43.41 C ATOM 587 C ASN A 41 1.610 -42.605 -9.036 1.00 72.45 C ATOM 588 O ASN A 41 1.361 -41.961 -8.017 1.00 25.45 O ATOM 589 CB ASN A 41 3.343 -43.928 -7.767 1.00 53.22 C ATOM 590 CG ASN A 41 3.528 -45.309 -7.155 1.00 43.00 C ATOM 591 OD1 ASN A 41 2.640 -46.162 -7.240 1.00 12.13 O ATOM 592 ND2 ASN A 41 4.668 -45.534 -6.519 1.00 51.54 N ATOM 0 H ASN A 41 2.828 -45.208 -10.561 1.00 20.22 H new ATOM 0 HA ASN A 41 1.621 -44.717 -8.786 1.00 43.41 H new ATOM 0 HB2 ASN A 41 4.309 -43.550 -8.101 1.00 53.22 H new ATOM 0 HB3 ASN A 41 2.979 -43.241 -7.003 1.00 53.22 H new ATOM 0 HD21 ASN A 41 4.836 -46.438 -6.078 1.00 51.54 H new ATOM 0 HD22 ASN A 41 5.378 -44.803 -6.471 1.00 51.54 H new ATOM 599 N ILE A 42 1.215 -42.217 -10.243 1.00 4.44 N ATOM 600 CA ILE A 42 0.409 -41.017 -10.432 1.00 53.42 C ATOM 601 C ILE A 42 -1.063 -41.350 -10.195 1.00 61.41 C ATOM 602 O ILE A 42 -1.727 -41.929 -11.058 1.00 70.51 O ATOM 603 CB ILE A 42 0.589 -40.421 -11.853 1.00 60.24 C ATOM 604 CG1 ILE A 42 2.072 -40.112 -12.132 1.00 24.42 C ATOM 605 CG2 ILE A 42 -0.267 -39.163 -12.028 1.00 31.35 C ATOM 606 CD1 ILE A 42 2.684 -39.103 -11.179 1.00 11.11 C ATOM 0 H ILE A 42 1.439 -42.715 -11.104 1.00 4.44 H new ATOM 0 HA ILE A 42 0.744 -40.269 -9.713 1.00 53.42 H new ATOM 0 HB ILE A 42 0.253 -41.164 -12.576 1.00 60.24 H new ATOM 0 HG12 ILE A 42 2.642 -41.040 -12.077 1.00 24.42 H new ATOM 0 HG13 ILE A 42 2.169 -39.738 -13.151 1.00 24.42 H new ATOM 0 HG21 ILE A 42 -0.124 -38.763 -13.032 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -1.318 -39.415 -11.884 1.00 31.35 H new ATOM 0 HG23 ILE A 42 0.031 -38.415 -11.293 1.00 31.35 H new ATOM 0 HD11 ILE A 42 3.729 -38.941 -11.443 1.00 11.11 H new ATOM 0 HD12 ILE A 42 2.141 -38.160 -11.249 1.00 11.11 H new ATOM 0 HD13 ILE A 42 2.622 -39.482 -10.159 1.00 11.11 H new ATOM 618 N LEU A 43 -1.546 -41.033 -9.001 1.00 61.41 N ATOM 619 CA LEU A 43 -2.936 -41.264 -8.643 1.00 72.33 C ATOM 620 C LEU A 43 -3.849 -40.348 -9.455 1.00 70.42 C ATOM 621 O LEU A 43 -3.894 -39.132 -9.246 1.00 24.44 O ATOM 622 CB LEU A 43 -3.151 -41.044 -7.137 1.00 53.01 C ATOM 623 CG LEU A 43 -4.593 -41.252 -6.637 1.00 15.11 C ATOM 624 CD1 LEU A 43 -5.071 -42.676 -6.915 1.00 20.34 C ATOM 625 CD2 LEU A 43 -4.704 -40.921 -5.149 1.00 60.11 C ATOM 0 H LEU A 43 -0.988 -40.611 -8.259 1.00 61.41 H new ATOM 0 HA LEU A 43 -3.187 -42.299 -8.875 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -2.494 -41.721 -6.591 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -2.841 -40.029 -6.888 1.00 53.01 H new ATOM 0 HG LEU A 43 -5.241 -40.569 -7.186 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -6.092 -42.795 -6.552 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -5.043 -42.866 -7.988 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -4.419 -43.385 -6.404 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -5.731 -41.075 -4.818 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -4.038 -41.571 -4.581 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -4.422 -39.881 -4.986 1.00 60.11 H new ATOM 637 N ILE A 44 -4.548 -40.946 -10.403 1.00 53.43 N ATOM 638 CA ILE A 44 -5.492 -40.232 -11.240 1.00 3.43 C ATOM 639 C ILE A 44 -6.899 -40.330 -10.662 1.00 52.32 C ATOM 640 O ILE A 44 -7.445 -41.424 -10.513 1.00 63.21 O ATOM 641 CB ILE A 44 -5.479 -40.783 -12.687 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.147 -40.428 -13.373 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.671 -40.254 -13.478 1.00 35.25 C ATOM 644 CD1 ILE A 44 -4.030 -40.939 -14.795 1.00 52.24 C ATOM 0 H ILE A 44 -4.476 -41.941 -10.613 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.190 -39.185 -11.265 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.566 -41.869 -12.653 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -4.030 -39.344 -13.377 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.326 -40.836 -12.783 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.642 -40.654 -14.492 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.596 -40.564 -12.992 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.628 -39.166 -13.516 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -3.064 -40.648 -15.208 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.114 -42.026 -14.799 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -4.828 -40.511 -15.402 1.00 52.24 H new ATOM 656 N LEU A 45 -7.469 -39.183 -10.317 1.00 65.44 N ATOM 657 CA LEU A 45 -8.840 -39.116 -9.830 1.00 1.02 C ATOM 658 C LEU A 45 -9.760 -38.670 -10.960 1.00 41.11 C ATOM 659 O LEU A 45 -9.711 -37.517 -11.384 1.00 73.21 O ATOM 660 CB LEU A 45 -8.971 -38.138 -8.644 1.00 45.12 C ATOM 661 CG LEU A 45 -8.263 -38.549 -7.339 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.747 -38.495 -7.487 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.724 -37.665 -6.180 1.00 43.24 C ATOM 0 H LEU A 45 -6.998 -38.279 -10.366 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.125 -40.109 -9.483 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.580 -37.169 -8.955 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -10.031 -38.000 -8.430 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.537 -39.581 -7.121 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -6.279 -38.791 -6.548 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.434 -39.176 -8.279 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.442 -37.480 -7.740 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -8.214 -37.969 -5.266 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.486 -36.624 -6.399 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.801 -37.771 -6.047 1.00 43.24 H new ATOM 675 N VAL A 46 -10.569 -39.583 -11.471 1.00 52.30 N ATOM 676 CA VAL A 46 -11.547 -39.245 -12.497 1.00 52.42 C ATOM 677 C VAL A 46 -12.866 -38.870 -11.832 1.00 21.23 C ATOM 678 O VAL A 46 -13.583 -39.737 -11.327 1.00 14.33 O ATOM 679 CB VAL A 46 -11.770 -40.416 -13.490 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.787 -40.033 -14.567 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.445 -40.848 -14.121 1.00 72.45 C ATOM 0 H VAL A 46 -10.570 -40.565 -11.194 1.00 52.30 H new ATOM 0 HA VAL A 46 -11.161 -38.400 -13.068 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.174 -41.261 -12.933 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -12.926 -40.871 -15.251 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.739 -39.786 -14.097 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.422 -39.169 -15.122 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -10.623 -41.670 -14.814 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -10.007 -40.008 -14.660 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -9.759 -41.175 -13.339 1.00 72.45 H new ATOM 691 N ASP A 47 -13.164 -37.574 -11.810 1.00 11.12 N ATOM 692 CA ASP A 47 -14.379 -37.072 -11.174 1.00 51.13 C ATOM 693 C ASP A 47 -15.513 -36.996 -12.196 1.00 54.22 C ATOM 694 O ASP A 47 -15.285 -36.705 -13.377 1.00 62.13 O ATOM 695 CB ASP A 47 -14.135 -35.682 -10.564 1.00 0.54 C ATOM 696 CG ASP A 47 -15.212 -35.260 -9.562 1.00 13.50 C ATOM 697 OD1 ASP A 47 -16.245 -35.960 -9.434 1.00 30.41 O ATOM 698 OD2 ASP A 47 -15.016 -34.223 -8.892 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.579 -36.850 -12.227 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.659 -37.760 -10.376 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.165 -35.677 -10.067 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -14.086 -34.945 -11.366 1.00 0.54 H new ATOM 703 N PHE A 48 -16.727 -37.264 -11.738 1.00 33.43 N ATOM 704 CA PHE A 48 -17.917 -37.170 -12.577 1.00 51.34 C ATOM 705 C PHE A 48 -18.688 -35.892 -12.257 1.00 61.52 C ATOM 706 O PHE A 48 -19.520 -35.862 -11.346 1.00 13.11 O ATOM 707 CB PHE A 48 -18.814 -38.407 -12.393 1.00 65.22 C ATOM 708 CG PHE A 48 -18.326 -39.628 -13.139 1.00 13.55 C ATOM 709 CD1 PHE A 48 -17.081 -40.180 -12.864 1.00 62.52 C ATOM 710 CD2 PHE A 48 -19.112 -40.221 -14.120 1.00 12.32 C ATOM 711 CE1 PHE A 48 -16.634 -41.293 -13.553 1.00 14.23 C ATOM 712 CE2 PHE A 48 -18.668 -41.334 -14.809 1.00 3.03 C ATOM 713 CZ PHE A 48 -17.427 -41.871 -14.525 1.00 0.02 C ATOM 0 H PHE A 48 -16.917 -37.552 -10.778 1.00 33.43 H new ATOM 0 HA PHE A 48 -17.603 -37.134 -13.620 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -18.879 -38.643 -11.331 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -19.823 -38.166 -12.728 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -16.456 -39.735 -12.104 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -20.083 -39.806 -14.347 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -15.663 -41.711 -13.331 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -19.290 -41.783 -15.569 1.00 3.03 H new ATOM 0 HZ PHE A 48 -17.078 -42.741 -15.062 1.00 0.02 H new ATOM 723 N TRP A 49 -18.377 -34.831 -12.999 1.00 62.40 N ATOM 724 CA TRP A 49 -19.038 -33.539 -12.831 1.00 3.51 C ATOM 725 C TRP A 49 -20.316 -33.468 -13.657 1.00 41.31 C ATOM 726 O TRP A 49 -20.568 -34.317 -14.515 1.00 63.54 O ATOM 727 CB TRP A 49 -18.095 -32.393 -13.232 1.00 40.21 C ATOM 728 CG TRP A 49 -17.012 -32.133 -12.228 1.00 42.53 C ATOM 729 CD1 TRP A 49 -15.943 -32.930 -11.951 1.00 65.23 C ATOM 730 CD2 TRP A 49 -16.896 -30.990 -11.369 1.00 72.13 C ATOM 731 NE1 TRP A 49 -15.175 -32.362 -10.965 1.00 33.30 N ATOM 732 CE2 TRP A 49 -15.737 -31.171 -10.591 1.00 34.35 C ATOM 733 CE3 TRP A 49 -17.660 -29.836 -11.177 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -15.325 -30.242 -9.637 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -17.251 -28.913 -10.232 1.00 74.34 C ATOM 736 CH2 TRP A 49 -16.092 -29.119 -9.473 1.00 43.42 C ATOM 0 H TRP A 49 -17.665 -34.842 -13.729 1.00 62.40 H new ATOM 0 HA TRP A 49 -19.298 -33.433 -11.778 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -17.639 -32.627 -14.194 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -18.679 -31.483 -13.369 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -15.731 -33.871 -12.436 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -14.323 -32.763 -10.574 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -18.555 -29.668 -11.757 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -14.434 -30.402 -9.049 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -17.835 -28.018 -10.077 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -15.797 -28.378 -8.744 1.00 43.42 H new ATOM 747 N ALA A 50 -21.105 -32.437 -13.393 1.00 41.34 N ATOM 748 CA ALA A 50 -22.366 -32.206 -14.080 1.00 51.22 C ATOM 749 C ALA A 50 -22.830 -30.783 -13.789 1.00 20.23 C ATOM 750 O ALA A 50 -22.443 -30.216 -12.765 1.00 33.32 O ATOM 751 CB ALA A 50 -23.417 -33.221 -13.628 1.00 54.33 C ATOM 0 H ALA A 50 -20.886 -31.731 -12.690 1.00 41.34 H new ATOM 0 HA ALA A 50 -22.227 -32.330 -15.154 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -24.354 -33.033 -14.152 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -23.070 -34.229 -13.855 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -23.577 -33.125 -12.554 1.00 54.33 H new ATOM 757 N PRO A 51 -23.651 -30.176 -14.677 1.00 55.40 N ATOM 758 CA PRO A 51 -24.169 -28.814 -14.482 1.00 12.22 C ATOM 759 C PRO A 51 -24.710 -28.609 -13.064 1.00 34.03 C ATOM 760 O PRO A 51 -24.533 -27.547 -12.463 1.00 2.20 O ATOM 761 CB PRO A 51 -25.294 -28.689 -15.535 1.00 62.34 C ATOM 762 CG PRO A 51 -25.458 -30.061 -16.119 1.00 64.33 C ATOM 763 CD PRO A 51 -24.132 -30.748 -15.942 1.00 24.12 C ATOM 0 HA PRO A 51 -23.394 -28.057 -14.601 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -26.222 -28.345 -15.078 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -25.030 -27.965 -16.305 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -26.252 -30.609 -15.611 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -25.732 -30.006 -17.173 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -24.239 -31.831 -15.884 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -23.452 -30.539 -16.768 1.00 24.12 H new ATOM 771 N TRP A 52 -25.356 -29.645 -12.539 1.00 52.31 N ATOM 772 CA TRP A 52 -25.845 -29.651 -11.166 1.00 61.04 C ATOM 773 C TRP A 52 -25.256 -30.863 -10.445 1.00 61.45 C ATOM 774 O TRP A 52 -25.871 -31.926 -10.400 1.00 73.15 O ATOM 775 CB TRP A 52 -27.387 -29.697 -11.143 1.00 34.34 C ATOM 776 CG TRP A 52 -28.005 -29.456 -9.785 1.00 2.33 C ATOM 777 CD1 TRP A 52 -27.599 -29.966 -8.580 1.00 55.55 C ATOM 778 CD2 TRP A 52 -29.163 -28.658 -9.507 1.00 2.31 C ATOM 779 NE1 TRP A 52 -28.422 -29.520 -7.576 1.00 21.24 N ATOM 780 CE2 TRP A 52 -29.391 -28.719 -8.119 1.00 34.23 C ATOM 781 CE3 TRP A 52 -30.026 -27.892 -10.298 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -30.443 -28.044 -7.508 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -31.070 -27.223 -9.689 1.00 4.30 C ATOM 784 CH2 TRP A 52 -31.271 -27.304 -8.305 1.00 60.21 C ATOM 0 H TRP A 52 -25.555 -30.503 -13.053 1.00 52.31 H new ATOM 0 HA TRP A 52 -25.534 -28.738 -10.658 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -27.770 -28.951 -11.839 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -27.714 -30.671 -11.508 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -26.754 -30.624 -8.440 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -28.327 -29.748 -6.586 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -29.879 -27.825 -11.366 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -30.600 -28.103 -6.441 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -31.742 -26.628 -10.290 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -32.097 -26.771 -7.858 1.00 60.21 H new ATOM 795 N CYS A 53 -24.040 -30.713 -9.934 1.00 50.22 N ATOM 796 CA CYS A 53 -23.367 -31.804 -9.236 1.00 20.35 C ATOM 797 C CYS A 53 -23.771 -31.858 -7.756 1.00 44.23 C ATOM 798 O CYS A 53 -24.198 -32.903 -7.266 1.00 40.01 O ATOM 799 CB CYS A 53 -21.842 -31.692 -9.412 1.00 43.12 C ATOM 800 SG CYS A 53 -21.218 -29.982 -9.557 1.00 63.30 S ATOM 0 H CYS A 53 -23.500 -29.849 -9.989 1.00 50.22 H new ATOM 0 HA CYS A 53 -23.687 -32.746 -9.682 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -21.355 -32.172 -8.563 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -21.550 -32.248 -10.303 1.00 43.12 H new ATOM 805 N GLY A 54 -23.658 -30.736 -7.048 1.00 43.40 N ATOM 806 CA GLY A 54 -24.024 -30.706 -5.638 1.00 13.40 C ATOM 807 C GLY A 54 -23.243 -29.667 -4.851 1.00 4.44 C ATOM 808 O GLY A 54 -23.363 -28.480 -5.128 1.00 31.03 O ATOM 0 H GLY A 54 -23.321 -29.849 -7.422 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -25.090 -30.498 -5.548 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -23.853 -31.690 -5.202 1.00 13.40 H new ATOM 812 N PRO A 55 -22.423 -30.082 -3.859 1.00 11.55 N ATOM 813 CA PRO A 55 -21.600 -29.165 -3.051 1.00 25.30 C ATOM 814 C PRO A 55 -20.332 -28.746 -3.800 1.00 32.04 C ATOM 815 O PRO A 55 -19.266 -28.555 -3.208 1.00 53.41 O ATOM 816 CB PRO A 55 -21.244 -30.002 -1.799 1.00 54.22 C ATOM 817 CG PRO A 55 -21.961 -31.311 -1.959 1.00 31.01 C ATOM 818 CD PRO A 55 -22.225 -31.470 -3.430 1.00 51.53 C ATOM 0 HA PRO A 55 -22.121 -28.238 -2.813 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -20.167 -30.154 -1.724 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -21.558 -29.494 -0.887 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -21.355 -32.135 -1.581 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -22.893 -31.315 -1.394 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -21.388 -31.940 -3.946 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -23.104 -32.085 -3.622 1.00 51.53 H new ATOM 826 N CYS A 56 -20.483 -28.566 -5.102 1.00 70.12 N ATOM 827 CA CYS A 56 -19.368 -28.335 -6.010 1.00 20.13 C ATOM 828 C CYS A 56 -18.597 -27.076 -5.626 1.00 71.35 C ATOM 829 O CYS A 56 -17.373 -27.042 -5.721 1.00 52.03 O ATOM 830 CB CYS A 56 -19.918 -28.220 -7.434 1.00 24.21 C ATOM 831 SG CYS A 56 -21.415 -29.228 -7.689 1.00 62.21 S ATOM 0 H CYS A 56 -21.392 -28.576 -5.564 1.00 70.12 H new ATOM 0 HA CYS A 56 -18.671 -29.170 -5.948 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -20.146 -27.176 -7.648 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -19.150 -28.530 -8.143 1.00 24.21 H new ATOM 836 N ARG A 57 -19.325 -26.071 -5.145 1.00 42.14 N ATOM 837 CA ARG A 57 -18.749 -24.762 -4.833 1.00 30.24 C ATOM 838 C ARG A 57 -17.561 -24.889 -3.884 1.00 54.23 C ATOM 839 O ARG A 57 -16.531 -24.247 -4.073 1.00 53.21 O ATOM 840 CB ARG A 57 -19.821 -23.854 -4.214 1.00 42.45 C ATOM 841 CG ARG A 57 -19.360 -22.417 -3.997 1.00 14.45 C ATOM 842 CD ARG A 57 -20.481 -21.538 -3.455 1.00 71.53 C ATOM 843 NE ARG A 57 -20.078 -20.133 -3.377 1.00 20.02 N ATOM 844 CZ ARG A 57 -20.933 -19.107 -3.367 1.00 74.44 C ATOM 845 NH1 ARG A 57 -22.243 -19.323 -3.408 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -20.479 -17.862 -3.315 1.00 33.01 N ATOM 0 H ARG A 57 -20.326 -26.139 -4.961 1.00 42.14 H new ATOM 0 HA ARG A 57 -18.390 -24.320 -5.763 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -20.698 -23.850 -4.861 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -20.132 -24.274 -3.258 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -18.521 -22.406 -3.301 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -18.999 -22.005 -4.939 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -21.358 -21.630 -4.096 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -20.772 -21.889 -2.465 1.00 71.53 H new ATOM 0 HE ARG A 57 -19.081 -19.924 -3.327 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -22.602 -20.277 -3.447 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -22.890 -18.535 -3.400 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -19.475 -17.686 -3.283 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -21.134 -17.080 -3.307 1.00 33.01 H new ATOM 860 N SER A 58 -17.716 -25.714 -2.858 1.00 22.42 N ATOM 861 CA SER A 58 -16.653 -25.945 -1.893 1.00 70.35 C ATOM 862 C SER A 58 -15.563 -26.841 -2.498 1.00 50.02 C ATOM 863 O SER A 58 -14.357 -26.591 -2.347 1.00 63.20 O ATOM 864 CB SER A 58 -17.241 -26.588 -0.633 1.00 12.11 C ATOM 865 OG SER A 58 -18.416 -25.907 -0.220 1.00 40.31 O ATOM 0 H SER A 58 -18.572 -26.236 -2.673 1.00 22.42 H new ATOM 0 HA SER A 58 -16.196 -24.992 -1.628 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.472 -27.635 -0.828 1.00 12.11 H new ATOM 0 HB3 SER A 58 -16.503 -26.568 0.169 1.00 12.11 H new ATOM 0 HG SER A 58 -18.776 -26.335 0.585 1.00 40.31 H new ATOM 871 N LEU A 59 -15.994 -27.881 -3.201 1.00 35.33 N ATOM 872 CA LEU A 59 -15.069 -28.877 -3.729 1.00 33.30 C ATOM 873 C LEU A 59 -14.251 -28.334 -4.900 1.00 51.22 C ATOM 874 O LEU A 59 -13.217 -28.903 -5.231 1.00 44.13 O ATOM 875 CB LEU A 59 -15.800 -30.173 -4.120 1.00 34.51 C ATOM 876 CG LEU A 59 -16.134 -31.123 -2.949 1.00 64.10 C ATOM 877 CD1 LEU A 59 -14.857 -31.604 -2.263 1.00 21.22 C ATOM 878 CD2 LEU A 59 -17.066 -30.451 -1.939 1.00 63.33 C ATOM 0 H LEU A 59 -16.975 -28.057 -3.418 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.370 -29.116 -2.927 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -16.728 -29.908 -4.627 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -15.186 -30.713 -4.841 1.00 34.51 H new ATOM 0 HG LEU A 59 -16.653 -31.989 -3.360 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -15.115 -32.272 -1.441 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -14.236 -32.137 -2.983 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -14.307 -30.746 -1.875 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -17.283 -31.145 -1.127 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -16.584 -29.560 -1.537 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -17.996 -30.169 -2.433 1.00 63.33 H new ATOM 890 N GLU A 60 -14.691 -27.234 -5.517 1.00 25.40 N ATOM 891 CA GLU A 60 -13.886 -26.596 -6.560 1.00 51.24 C ATOM 892 C GLU A 60 -12.501 -26.236 -5.993 1.00 31.13 C ATOM 893 O GLU A 60 -11.496 -26.807 -6.422 1.00 60.23 O ATOM 894 CB GLU A 60 -14.580 -25.353 -7.157 1.00 44.05 C ATOM 895 CG GLU A 60 -15.801 -25.650 -8.019 1.00 51.15 C ATOM 896 CD GLU A 60 -16.427 -24.379 -8.574 1.00 40.34 C ATOM 897 OE1 GLU A 60 -17.354 -23.836 -7.935 1.00 65.12 O ATOM 898 OE2 GLU A 60 -15.971 -23.899 -9.634 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.580 -26.775 -5.318 1.00 25.40 H new ATOM 0 HA GLU A 60 -13.769 -27.307 -7.378 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -14.881 -24.696 -6.341 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -13.855 -24.804 -7.757 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -15.513 -26.303 -8.843 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -16.540 -26.190 -7.428 1.00 51.15 H new ATOM 905 N PRO A 61 -12.412 -25.324 -4.988 1.00 40.44 N ATOM 906 CA PRO A 61 -11.127 -24.974 -4.382 1.00 20.54 C ATOM 907 C PRO A 61 -10.537 -26.130 -3.570 1.00 64.23 C ATOM 908 O PRO A 61 -9.320 -26.316 -3.555 1.00 41.33 O ATOM 909 CB PRO A 61 -11.459 -23.780 -3.474 1.00 61.44 C ATOM 910 CG PRO A 61 -12.901 -23.946 -3.152 1.00 3.54 C ATOM 911 CD PRO A 61 -13.524 -24.560 -4.376 1.00 61.33 C ATOM 0 HA PRO A 61 -10.373 -24.743 -5.134 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -10.848 -23.786 -2.572 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.272 -22.833 -3.980 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -13.036 -24.587 -2.281 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.363 -22.987 -2.917 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.361 -25.208 -4.117 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -13.909 -23.799 -5.055 1.00 61.33 H new ATOM 919 N GLN A 62 -11.394 -26.918 -2.904 1.00 1.31 N ATOM 920 CA GLN A 62 -10.895 -28.013 -2.066 1.00 64.23 C ATOM 921 C GLN A 62 -10.154 -29.065 -2.900 1.00 72.30 C ATOM 922 O GLN A 62 -9.053 -29.491 -2.537 1.00 45.13 O ATOM 923 CB GLN A 62 -12.023 -28.674 -1.268 1.00 52.44 C ATOM 924 CG GLN A 62 -12.694 -27.740 -0.269 1.00 75.21 C ATOM 925 CD GLN A 62 -13.625 -28.468 0.684 1.00 5.22 C ATOM 926 OE1 GLN A 62 -13.229 -28.857 1.778 1.00 5.12 O ATOM 927 NE2 GLN A 62 -14.860 -28.681 0.264 1.00 34.41 N ATOM 0 H GLN A 62 -12.409 -26.821 -2.928 1.00 1.31 H new ATOM 0 HA GLN A 62 -10.190 -27.573 -1.360 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.775 -29.051 -1.962 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.622 -29.536 -0.734 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.928 -27.219 0.306 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -13.258 -26.980 -0.811 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -15.153 -28.342 -0.652 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -15.520 -29.184 0.856 1.00 34.41 H new ATOM 936 N LEU A 63 -10.748 -29.473 -4.020 1.00 4.32 N ATOM 937 CA LEU A 63 -10.132 -30.476 -4.889 1.00 24.11 C ATOM 938 C LEU A 63 -8.911 -29.900 -5.593 1.00 34.30 C ATOM 939 O LEU A 63 -7.874 -30.560 -5.676 1.00 14.04 O ATOM 940 CB LEU A 63 -11.133 -31.013 -5.923 1.00 72.32 C ATOM 941 CG LEU A 63 -12.280 -31.859 -5.345 1.00 45.24 C ATOM 942 CD1 LEU A 63 -13.220 -32.327 -6.454 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.736 -33.053 -4.560 1.00 74.14 C ATOM 0 H LEU A 63 -11.650 -29.127 -4.347 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.817 -31.307 -4.259 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -11.562 -30.169 -6.463 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -10.590 -31.615 -6.652 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.848 -31.232 -4.658 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -14.024 -32.924 -6.022 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -13.644 -31.460 -6.962 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.664 -32.931 -7.171 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.567 -33.635 -4.161 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -11.137 -33.680 -5.220 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -11.116 -32.696 -3.738 1.00 74.14 H new ATOM 955 N GLU A 64 -9.031 -28.666 -6.090 1.00 4.53 N ATOM 956 CA GLU A 64 -7.902 -27.992 -6.726 1.00 14.32 C ATOM 957 C GLU A 64 -6.740 -27.869 -5.742 1.00 63.35 C ATOM 958 O GLU A 64 -5.577 -27.979 -6.129 1.00 10.34 O ATOM 959 CB GLU A 64 -8.292 -26.603 -7.250 1.00 61.33 C ATOM 960 CG GLU A 64 -9.240 -26.633 -8.444 1.00 42.54 C ATOM 961 CD GLU A 64 -9.353 -25.279 -9.125 1.00 13.44 C ATOM 962 OE1 GLU A 64 -8.490 -24.970 -9.980 1.00 52.13 O ATOM 963 OE2 GLU A 64 -10.298 -24.519 -8.821 1.00 65.51 O1- ATOM 0 H GLU A 64 -9.892 -28.119 -6.064 1.00 4.53 H new ATOM 0 HA GLU A 64 -7.594 -28.597 -7.579 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.759 -26.040 -6.442 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -7.387 -26.065 -7.532 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -8.889 -27.372 -9.165 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -10.228 -26.954 -8.113 1.00 42.54 H new ATOM 970 N LYS A 65 -7.069 -27.653 -4.473 1.00 0.43 N ATOM 971 CA LYS A 65 -6.072 -27.576 -3.412 1.00 4.21 C ATOM 972 C LYS A 65 -5.276 -28.873 -3.334 1.00 63.22 C ATOM 973 O LYS A 65 -4.051 -28.868 -3.464 1.00 64.34 O ATOM 974 CB LYS A 65 -6.753 -27.299 -2.066 1.00 2.10 C ATOM 975 CG LYS A 65 -5.827 -27.430 -0.857 1.00 73.25 C ATOM 976 CD LYS A 65 -6.566 -27.143 0.446 1.00 53.43 C ATOM 977 CE LYS A 65 -7.723 -28.112 0.667 1.00 74.54 C ATOM 978 NZ LYS A 65 -8.517 -27.760 1.872 1.00 62.51 N1+ ATOM 0 H LYS A 65 -8.029 -27.527 -4.152 1.00 0.43 H new ATOM 0 HA LYS A 65 -5.388 -26.759 -3.639 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -7.170 -26.292 -2.083 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.589 -27.988 -1.946 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -5.408 -28.436 -0.825 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -4.990 -26.740 -0.962 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -5.869 -27.212 1.282 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -6.945 -26.121 0.431 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -8.372 -28.109 -0.209 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -7.334 -29.125 0.772 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -9.294 -28.442 1.987 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -7.904 -27.788 2.712 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -8.910 -26.803 1.762 1.00 62.51 H new ATOM 992 N LEU A 66 -5.982 -29.990 -3.140 1.00 12.42 N ATOM 993 CA LEU A 66 -5.322 -31.288 -3.016 1.00 2.43 C ATOM 994 C LEU A 66 -4.584 -31.621 -4.306 1.00 60.12 C ATOM 995 O LEU A 66 -3.533 -32.256 -4.286 1.00 51.14 O ATOM 996 CB LEU A 66 -6.325 -32.402 -2.674 1.00 45.35 C ATOM 997 CG LEU A 66 -7.254 -32.099 -1.490 1.00 74.51 C ATOM 998 CD1 LEU A 66 -8.196 -33.268 -1.231 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.443 -31.763 -0.236 1.00 41.11 C ATOM 0 H LEU A 66 -6.999 -30.021 -3.066 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.606 -31.224 -2.196 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -6.936 -32.602 -3.554 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.771 -33.315 -2.457 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.858 -31.228 -1.745 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.845 -33.032 -0.388 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.804 -33.449 -2.118 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.614 -34.161 -1.002 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -7.122 -31.552 0.590 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.807 -32.609 0.024 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.822 -30.888 -0.428 1.00 41.11 H new ATOM 1011 N ALA A 67 -5.139 -31.165 -5.427 1.00 43.32 N ATOM 1012 CA ALA A 67 -4.532 -31.380 -6.732 1.00 1.23 C ATOM 1013 C ALA A 67 -3.202 -30.638 -6.833 1.00 3.40 C ATOM 1014 O ALA A 67 -2.185 -31.227 -7.162 1.00 21.23 O ATOM 1015 CB ALA A 67 -5.486 -30.940 -7.840 1.00 34.31 C ATOM 0 H ALA A 67 -6.014 -30.641 -5.454 1.00 43.32 H new ATOM 0 HA ALA A 67 -4.335 -32.445 -6.853 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -5.018 -31.107 -8.810 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -6.408 -31.518 -7.777 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.714 -29.880 -7.724 1.00 34.31 H new ATOM 1021 N GLN A 68 -3.213 -29.347 -6.516 1.00 30.24 N ATOM 1022 CA GLN A 68 -2.013 -28.512 -6.608 1.00 34.53 C ATOM 1023 C GLN A 68 -0.965 -28.932 -5.580 1.00 14.40 C ATOM 1024 O GLN A 68 0.240 -28.787 -5.811 1.00 34.01 O ATOM 1025 CB GLN A 68 -2.375 -27.033 -6.414 1.00 73.12 C ATOM 1026 CG GLN A 68 -3.135 -26.422 -7.589 1.00 63.23 C ATOM 1027 CD GLN A 68 -2.263 -26.205 -8.819 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -1.287 -26.925 -9.054 1.00 74.13 O ATOM 1029 NE2 GLN A 68 -2.610 -25.205 -9.617 1.00 35.24 N ATOM 0 H GLN A 68 -4.043 -28.851 -6.191 1.00 30.24 H new ATOM 0 HA GLN A 68 -1.588 -28.649 -7.602 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -2.979 -26.932 -5.512 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -1.460 -26.464 -6.251 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -3.968 -27.073 -7.853 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.561 -25.467 -7.281 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -3.422 -24.631 -9.392 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -2.065 -25.010 -10.457 1.00 35.24 H new ATOM 1038 N GLN A 69 -1.430 -29.448 -4.450 1.00 23.22 N ATOM 1039 CA GLN A 69 -0.547 -29.859 -3.360 1.00 22.40 C ATOM 1040 C GLN A 69 0.038 -31.249 -3.628 1.00 3.21 C ATOM 1041 O GLN A 69 1.210 -31.510 -3.347 1.00 75.41 O ATOM 1042 CB GLN A 69 -1.331 -29.845 -2.037 1.00 11.52 C ATOM 1043 CG GLN A 69 -0.486 -30.112 -0.796 1.00 32.44 C ATOM 1044 CD GLN A 69 -1.298 -30.008 0.487 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -1.397 -28.939 1.094 1.00 65.51 O ATOM 1046 NE2 GLN A 69 -1.895 -31.115 0.901 1.00 31.30 N ATOM 0 H GLN A 69 -2.422 -29.594 -4.261 1.00 23.22 H new ATOM 0 HA GLN A 69 0.285 -29.158 -3.291 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.817 -28.875 -1.928 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -2.122 -30.594 -2.090 1.00 11.52 H new ATOM 0 HG2 GLN A 69 -0.046 -31.107 -0.866 1.00 32.44 H new ATOM 0 HG3 GLN A 69 0.339 -29.400 -0.760 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -1.789 -31.980 0.371 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -2.461 -31.103 1.750 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.785 -32.128 -4.191 1.00 14.41 N ATOM 1056 CA TYR A 70 -0.410 -33.524 -4.427 1.00 60.14 C ATOM 1057 C TYR A 70 -0.105 -33.799 -5.906 1.00 40.42 C ATOM 1058 O TYR A 70 0.137 -34.944 -6.284 1.00 75.22 O ATOM 1059 CB TYR A 70 -1.506 -34.475 -3.918 1.00 23.30 C ATOM 1060 CG TYR A 70 -1.682 -34.466 -2.405 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -2.931 -34.263 -1.823 1.00 64.52 C ATOM 1062 CD2 TYR A 70 -0.593 -34.666 -1.560 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -3.090 -34.263 -0.450 1.00 62.24 C ATOM 1064 CE2 TYR A 70 -0.746 -34.665 -0.185 1.00 4.24 C ATOM 1065 CZ TYR A 70 -1.995 -34.465 0.366 1.00 51.45 C ATOM 1066 OH TYR A 70 -2.151 -34.464 1.738 1.00 12.52 O ATOM 0 H TYR A 70 -1.730 -31.896 -4.497 1.00 14.41 H new ATOM 0 HA TYR A 70 0.506 -33.709 -3.866 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -2.453 -34.204 -4.385 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -1.270 -35.489 -4.240 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -3.791 -34.103 -2.456 1.00 64.52 H new ATOM 0 HD2 TYR A 70 0.387 -34.824 -1.985 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -4.067 -34.106 -0.017 1.00 62.24 H new ATOM 0 HE2 TYR A 70 0.110 -34.820 0.455 1.00 4.24 H new ATOM 0 HH TYR A 70 -1.283 -34.621 2.166 1.00 12.52 H new ATOM 1076 N THR A 71 -0.107 -32.752 -6.739 1.00 61.35 N ATOM 1077 CA THR A 71 0.038 -32.903 -8.200 1.00 51.44 C ATOM 1078 C THR A 71 1.282 -33.716 -8.584 1.00 2.11 C ATOM 1079 O THR A 71 1.366 -34.242 -9.697 1.00 63.31 O ATOM 1080 CB THR A 71 0.123 -31.523 -8.905 1.00 32.42 C ATOM 1081 OG1 THR A 71 0.248 -31.699 -10.325 1.00 20.15 O ATOM 1082 CG2 THR A 71 1.302 -30.705 -8.382 1.00 4.22 C ATOM 0 H THR A 71 -0.208 -31.785 -6.429 1.00 61.35 H new ATOM 0 HA THR A 71 -0.852 -33.439 -8.531 1.00 51.44 H new ATOM 0 HB THR A 71 -0.796 -30.979 -8.686 1.00 32.42 H new ATOM 0 HG1 THR A 71 0.299 -30.822 -10.760 1.00 20.15 H new ATOM 0 HG21 THR A 71 1.334 -29.744 -8.895 1.00 4.22 H new ATOM 0 HG22 THR A 71 1.184 -30.540 -7.311 1.00 4.22 H new ATOM 0 HG23 THR A 71 2.230 -31.246 -8.566 1.00 4.22 H new ATOM 1090 N GLU A 72 2.236 -33.814 -7.667 1.00 51.24 N ATOM 1091 CA GLU A 72 3.448 -34.600 -7.883 1.00 74.02 C ATOM 1092 C GLU A 72 3.116 -36.083 -8.080 1.00 60.10 C ATOM 1093 O GLU A 72 3.801 -36.790 -8.821 1.00 53.34 O ATOM 1094 CB GLU A 72 4.398 -34.415 -6.699 1.00 21.44 C ATOM 1095 CG GLU A 72 3.737 -34.648 -5.346 1.00 35.12 C ATOM 1096 CD GLU A 72 4.657 -34.321 -4.187 1.00 32.11 C ATOM 1097 OE1 GLU A 72 5.190 -35.257 -3.564 1.00 53.51 O ATOM 1098 OE2 GLU A 72 4.854 -33.121 -3.902 1.00 0.13 O1- ATOM 0 H GLU A 72 2.194 -33.355 -6.757 1.00 51.24 H new ATOM 0 HA GLU A 72 3.935 -34.247 -8.792 1.00 74.02 H new ATOM 0 HB2 GLU A 72 5.238 -35.101 -6.807 1.00 21.44 H new ATOM 0 HB3 GLU A 72 4.806 -33.405 -6.726 1.00 21.44 H new ATOM 0 HG2 GLU A 72 2.837 -34.037 -5.275 1.00 35.12 H new ATOM 0 HG3 GLU A 72 3.422 -35.689 -5.273 1.00 35.12 H new ATOM 1105 N ASN A 73 2.061 -36.545 -7.411 1.00 54.34 N ATOM 1106 CA ASN A 73 1.620 -37.937 -7.514 1.00 53.33 C ATOM 1107 C ASN A 73 0.107 -38.012 -7.718 1.00 50.23 C ATOM 1108 O ASN A 73 -0.481 -39.078 -7.564 1.00 40.15 O ATOM 1109 CB ASN A 73 2.001 -38.738 -6.252 1.00 52.25 C ATOM 1110 CG ASN A 73 3.499 -38.796 -5.997 1.00 60.25 C ATOM 1111 OD1 ASN A 73 3.986 -37.948 -5.102 1.00 52.33 O flip ATOM 1112 ND2 ASN A 73 4.210 -39.620 -6.576 1.00 3.30 N flip ATOM 0 H ASN A 73 1.492 -35.972 -6.788 1.00 54.34 H new ATOM 0 HA ASN A 73 2.124 -38.374 -8.376 1.00 53.33 H new ATOM 0 HB2 ASN A 73 1.511 -38.292 -5.387 1.00 52.25 H new ATOM 0 HB3 ASN A 73 1.617 -39.754 -6.347 1.00 52.25 H new ATOM 0 HD21 ASN A 73 3.800 -40.257 -7.259 1.00 3.30 H new ATOM 0 HD22 ASN A 73 5.208 -39.665 -6.372 1.00 3.30 H new ATOM 1119 N VAL A 74 -0.522 -36.886 -8.056 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.977 -36.837 -8.244 1.00 72.51 C ATOM 1121 C VAL A 74 -2.366 -35.948 -9.424 1.00 33.41 C ATOM 1122 O VAL A 74 -1.744 -34.912 -9.670 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.703 -36.323 -6.965 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -4.174 -36.006 -7.239 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -2.588 -37.340 -5.834 1.00 50.05 C ATOM 0 H VAL A 74 -0.049 -35.995 -8.206 1.00 42.24 H new ATOM 0 HA VAL A 74 -2.292 -37.860 -8.450 1.00 72.51 H new ATOM 0 HB VAL A 74 -2.211 -35.399 -6.662 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.646 -35.650 -6.323 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -4.243 -35.235 -8.006 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.682 -36.907 -7.583 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -3.102 -36.961 -4.950 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -3.043 -38.281 -6.143 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -1.537 -37.506 -5.599 1.00 50.05 H new ATOM 1135 N LYS A 75 -3.393 -36.372 -10.154 1.00 71.33 N ATOM 1136 CA LYS A 75 -4.011 -35.551 -11.192 1.00 20.41 C ATOM 1137 C LYS A 75 -5.487 -35.910 -11.313 1.00 63.15 C ATOM 1138 O LYS A 75 -5.836 -37.083 -11.451 1.00 32.02 O ATOM 1139 CB LYS A 75 -3.308 -35.732 -12.548 1.00 33.32 C ATOM 1140 CG LYS A 75 -3.990 -34.988 -13.703 1.00 15.44 C ATOM 1141 CD LYS A 75 -4.046 -33.474 -13.475 1.00 32.33 C ATOM 1142 CE LYS A 75 -2.666 -32.824 -13.561 1.00 62.53 C ATOM 1143 NZ LYS A 75 -2.097 -32.900 -14.934 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.820 -37.292 -10.044 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.910 -34.504 -10.906 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -2.278 -35.385 -12.462 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -3.267 -36.795 -12.787 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -3.454 -35.193 -14.630 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -5.003 -35.371 -13.830 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -4.705 -33.021 -14.216 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -4.480 -33.272 -12.496 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -2.738 -31.780 -13.256 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -1.990 -33.315 -12.861 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 -1.218 -32.346 -14.977 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 -1.893 -33.892 -15.171 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 -2.782 -32.515 -15.615 1.00 41.05 H new ATOM 1157 N ILE A 76 -6.349 -34.903 -11.246 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.786 -35.116 -11.347 1.00 43.12 C ATOM 1159 C ILE A 76 -8.263 -34.811 -12.764 1.00 51.15 C ATOM 1160 O ILE A 76 -8.052 -33.706 -13.269 1.00 60.02 O ATOM 1161 CB ILE A 76 -8.565 -34.227 -10.344 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -8.014 -34.419 -8.918 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -10.062 -34.541 -10.396 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -8.699 -33.567 -7.866 1.00 73.14 C ATOM 0 H ILE A 76 -6.076 -33.928 -11.122 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.981 -36.161 -11.106 1.00 43.12 H new ATOM 0 HB ILE A 76 -8.429 -33.183 -10.627 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -8.113 -35.468 -8.641 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.949 -34.189 -8.918 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -10.592 -33.907 -9.685 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -10.439 -34.352 -11.401 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -10.223 -35.588 -10.139 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -8.252 -33.763 -6.891 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -8.578 -32.513 -8.116 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -9.761 -33.812 -7.834 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.880 -35.797 -13.402 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.455 -35.627 -14.733 1.00 12.22 C ATOM 1178 C TYR A 77 -10.974 -35.679 -14.658 1.00 34.33 C ATOM 1179 O TYR A 77 -11.538 -36.267 -13.735 1.00 1.44 O ATOM 1180 CB TYR A 77 -8.980 -36.725 -15.697 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.524 -36.627 -16.118 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.604 -37.590 -15.736 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -7.080 -35.582 -16.916 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.282 -37.517 -16.130 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.761 -35.499 -17.314 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.866 -36.469 -16.920 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.551 -36.389 -17.320 1.00 22.34 O ATOM 0 H TYR A 77 -8.997 -36.734 -13.015 1.00 3.34 H new ATOM 0 HA TYR A 77 -9.124 -34.658 -15.107 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -9.142 -37.695 -15.226 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.603 -36.697 -16.591 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -6.927 -38.414 -15.118 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.778 -34.821 -17.231 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -4.580 -38.277 -15.820 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -5.432 -34.677 -17.932 1.00 34.01 H new ATOM 0 HH TYR A 77 -3.425 -35.590 -17.873 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.625 -35.062 -15.630 1.00 10.01 N ATOM 1198 CA LYS A 78 -13.056 -35.234 -15.823 1.00 3.41 C ATOM 1199 C LYS A 78 -13.342 -35.377 -17.312 1.00 25.15 C ATOM 1200 O LYS A 78 -12.841 -34.600 -18.129 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.871 -34.072 -15.224 1.00 53.32 C ATOM 1202 CG LYS A 78 -13.683 -32.726 -15.923 1.00 32.43 C ATOM 1203 CD LYS A 78 -14.784 -31.738 -15.538 1.00 31.14 C ATOM 1204 CE LYS A 78 -14.653 -30.418 -16.287 1.00 3.31 C ATOM 1205 NZ LYS A 78 -15.858 -29.562 -16.114 1.00 62.33 N1+ ATOM 0 H LYS A 78 -11.183 -34.434 -16.301 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.365 -36.136 -15.295 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -14.928 -34.336 -15.254 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -13.600 -33.961 -14.174 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -12.711 -32.310 -15.659 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -13.685 -32.872 -17.003 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -15.758 -32.180 -15.749 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -14.745 -31.551 -14.465 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -13.773 -29.883 -15.930 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -14.497 -30.616 -17.347 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -16.157 -29.192 -17.039 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -16.628 -30.126 -15.702 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -15.632 -28.769 -15.480 1.00 62.33 H new ATOM 1219 N ILE A 79 -14.112 -36.394 -17.662 1.00 35.25 N ATOM 1220 CA ILE A 79 -14.488 -36.626 -19.047 1.00 51.22 C ATOM 1221 C ILE A 79 -15.623 -35.686 -19.445 1.00 13.33 C ATOM 1222 O ILE A 79 -16.450 -35.315 -18.610 1.00 3.23 O ATOM 1223 CB ILE A 79 -14.903 -38.103 -19.282 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -15.975 -38.537 -18.265 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -13.679 -39.018 -19.205 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -16.397 -39.987 -18.394 1.00 50.20 C ATOM 0 H ILE A 79 -14.490 -37.075 -17.003 1.00 35.25 H new ATOM 0 HA ILE A 79 -13.618 -36.422 -19.672 1.00 51.22 H new ATOM 0 HB ILE A 79 -15.333 -38.186 -20.280 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -15.595 -38.368 -17.258 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -16.853 -37.902 -18.385 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -13.986 -40.051 -19.372 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -12.958 -38.726 -19.968 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -13.221 -38.930 -18.220 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -17.154 -40.214 -17.643 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -16.809 -40.159 -19.388 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -15.532 -40.633 -18.244 1.00 50.20 H new ATOM 1238 N ASN A 80 -15.670 -35.316 -20.722 1.00 52.33 N ATOM 1239 CA ASN A 80 -16.662 -34.355 -21.231 1.00 2.04 C ATOM 1240 C ASN A 80 -18.059 -34.985 -21.354 1.00 60.11 C ATOM 1241 O ASN A 80 -18.868 -34.575 -22.190 1.00 23.20 O ATOM 1242 CB ASN A 80 -16.208 -33.805 -22.595 1.00 23.44 C ATOM 1243 CG ASN A 80 -16.142 -34.872 -23.678 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -15.882 -36.047 -23.406 1.00 32.04 O ATOM 1245 ND2 ASN A 80 -16.376 -34.470 -24.918 1.00 24.31 N ATOM 0 H ASN A 80 -15.029 -35.667 -21.434 1.00 52.33 H new ATOM 0 HA ASN A 80 -16.732 -33.538 -20.513 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -16.894 -33.019 -22.910 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -15.226 -33.346 -22.486 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -16.344 -35.140 -25.686 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -16.588 -33.490 -25.105 1.00 24.31 H new ATOM 1252 N ILE A 81 -18.353 -35.954 -20.491 1.00 22.21 N ATOM 1253 CA ILE A 81 -19.636 -36.655 -20.495 1.00 54.13 C ATOM 1254 C ILE A 81 -20.554 -36.061 -19.415 1.00 65.23 C ATOM 1255 O ILE A 81 -21.549 -36.663 -19.016 1.00 21.40 O ATOM 1256 CB ILE A 81 -19.417 -38.179 -20.251 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -18.340 -38.730 -21.203 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -20.715 -38.967 -20.429 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -18.711 -38.652 -22.670 1.00 64.23 C ATOM 0 H ILE A 81 -17.709 -36.276 -19.769 1.00 22.21 H new ATOM 0 HA ILE A 81 -20.111 -36.529 -21.468 1.00 54.13 H new ATOM 0 HB ILE A 81 -19.082 -38.300 -19.221 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -17.413 -38.178 -21.044 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -18.140 -39.770 -20.945 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -20.525 -40.026 -20.251 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -21.459 -38.608 -19.718 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -21.087 -38.830 -21.444 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -17.900 -39.060 -23.273 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -19.619 -39.228 -22.847 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -18.881 -37.612 -22.947 1.00 64.23 H new ATOM 1271 N GLU A 82 -20.225 -34.844 -18.983 1.00 34.03 N ATOM 1272 CA GLU A 82 -20.950 -34.154 -17.909 1.00 12.21 C ATOM 1273 C GLU A 82 -22.445 -33.987 -18.230 1.00 64.13 C ATOM 1274 O GLU A 82 -23.259 -33.753 -17.336 1.00 42.22 O ATOM 1275 CB GLU A 82 -20.313 -32.776 -17.659 1.00 14.33 C ATOM 1276 CG GLU A 82 -18.862 -32.845 -17.186 1.00 12.32 C ATOM 1277 CD GLU A 82 -18.190 -31.478 -17.120 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -17.422 -31.140 -18.043 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -18.421 -30.725 -16.150 1.00 51.21 O1- ATOM 0 H GLU A 82 -19.448 -34.306 -19.366 1.00 34.03 H new ATOM 0 HA GLU A 82 -20.876 -34.770 -17.013 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -20.358 -32.193 -18.579 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -20.903 -32.243 -16.914 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -18.829 -33.308 -16.200 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -18.297 -33.489 -17.859 1.00 12.32 H new ATOM 1286 N ASP A 83 -22.800 -34.102 -19.509 1.00 63.52 N ATOM 1287 CA ASP A 83 -24.189 -33.916 -19.948 1.00 11.04 C ATOM 1288 C ASP A 83 -24.965 -35.231 -19.926 1.00 33.50 C ATOM 1289 O ASP A 83 -26.180 -35.247 -20.138 1.00 21.21 O ATOM 1290 CB ASP A 83 -24.230 -33.327 -21.366 1.00 23.45 C ATOM 1291 CG ASP A 83 -23.571 -31.964 -21.460 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -24.273 -30.943 -21.285 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -22.348 -31.904 -21.717 1.00 25.20 O1- ATOM 0 H ASP A 83 -22.148 -34.323 -20.262 1.00 63.52 H new ATOM 0 HA ASP A 83 -24.660 -33.224 -19.250 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -23.734 -34.013 -22.053 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -25.268 -33.246 -21.690 1.00 23.45 H new ATOM 1298 N ASN A 84 -24.270 -36.330 -19.665 1.00 32.21 N ATOM 1299 CA ASN A 84 -24.877 -37.661 -19.711 1.00 13.34 C ATOM 1300 C ASN A 84 -24.783 -38.344 -18.351 1.00 61.05 C ATOM 1301 O ASN A 84 -23.820 -39.062 -18.070 1.00 23.22 O ATOM 1302 CB ASN A 84 -24.200 -38.536 -20.782 1.00 61.11 C ATOM 1303 CG ASN A 84 -24.441 -38.045 -22.201 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -25.369 -38.488 -22.878 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -23.606 -37.127 -22.660 1.00 3.45 N ATOM 0 H ASN A 84 -23.280 -36.329 -19.418 1.00 32.21 H new ATOM 0 HA ASN A 84 -25.928 -37.538 -19.972 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -23.127 -38.565 -20.592 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -24.567 -39.558 -20.691 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -23.719 -36.762 -23.606 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -22.849 -36.785 -22.068 1.00 3.45 H new ATOM 1312 N GLN A 85 -25.783 -38.110 -17.505 1.00 14.34 N ATOM 1313 CA GLN A 85 -25.854 -38.762 -16.200 1.00 73.43 C ATOM 1314 C GLN A 85 -26.029 -40.267 -16.388 1.00 30.44 C ATOM 1315 O GLN A 85 -25.551 -41.069 -15.580 1.00 11.40 O ATOM 1316 CB GLN A 85 -27.021 -38.185 -15.381 1.00 62.01 C ATOM 1317 CG GLN A 85 -27.216 -38.829 -14.006 1.00 14.43 C ATOM 1318 CD GLN A 85 -26.088 -38.529 -13.028 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -24.939 -38.335 -13.413 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -26.413 -38.497 -11.744 1.00 22.33 N ATOM 0 H GLN A 85 -26.556 -37.473 -17.700 1.00 14.34 H new ATOM 0 HA GLN A 85 -24.928 -38.578 -15.656 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -26.859 -37.115 -15.247 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -27.941 -38.299 -15.954 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -28.157 -38.480 -13.581 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -27.302 -39.909 -14.128 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -27.378 -38.663 -11.458 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -25.698 -38.307 -11.042 1.00 22.33 H new ATOM 1329 N ASP A 86 -26.699 -40.632 -17.485 1.00 11.41 N ATOM 1330 CA ASP A 86 -26.951 -42.033 -17.834 1.00 44.11 C ATOM 1331 C ASP A 86 -25.701 -42.884 -17.619 1.00 63.32 C ATOM 1332 O ASP A 86 -25.741 -43.907 -16.929 1.00 33.14 O ATOM 1333 CB ASP A 86 -27.396 -42.144 -19.304 1.00 54.34 C ATOM 1334 CG ASP A 86 -28.705 -41.422 -19.588 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -28.687 -40.179 -19.743 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -29.758 -42.095 -19.665 1.00 5.23 O1- ATOM 0 H ASP A 86 -27.082 -39.965 -18.155 1.00 11.41 H new ATOM 0 HA ASP A 86 -27.744 -42.402 -17.183 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -26.616 -41.734 -19.945 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -27.504 -43.196 -19.566 1.00 54.34 H new ATOM 1341 N VAL A 87 -24.590 -42.424 -18.191 1.00 53.31 N ATOM 1342 CA VAL A 87 -23.316 -43.139 -18.122 1.00 43.31 C ATOM 1343 C VAL A 87 -22.896 -43.374 -16.671 1.00 71.01 C ATOM 1344 O VAL A 87 -22.353 -44.432 -16.327 1.00 44.23 O ATOM 1345 CB VAL A 87 -22.202 -42.362 -18.873 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -20.860 -43.090 -18.790 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -22.603 -42.128 -20.329 1.00 22.14 C ATOM 0 H VAL A 87 -24.547 -41.549 -18.713 1.00 53.31 H new ATOM 0 HA VAL A 87 -23.456 -44.106 -18.606 1.00 43.31 H new ATOM 0 HB VAL A 87 -22.082 -41.394 -18.386 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -20.102 -42.519 -19.326 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -20.566 -43.192 -17.746 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -20.954 -44.079 -19.239 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -21.811 -41.582 -20.841 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -22.760 -43.087 -20.822 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -23.525 -41.547 -20.364 1.00 22.14 H new ATOM 1357 N ALA A 88 -23.187 -42.403 -15.810 1.00 74.24 N ATOM 1358 CA ALA A 88 -22.823 -42.494 -14.405 1.00 11.24 C ATOM 1359 C ALA A 88 -23.566 -43.659 -13.756 1.00 40.14 C ATOM 1360 O ALA A 88 -22.961 -44.537 -13.125 1.00 31.23 O ATOM 1361 CB ALA A 88 -23.135 -41.177 -13.700 1.00 44.41 C ATOM 0 H ALA A 88 -23.675 -41.544 -16.064 1.00 74.24 H new ATOM 0 HA ALA A 88 -21.753 -42.679 -14.315 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -22.860 -41.253 -12.648 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -22.568 -40.371 -14.166 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -24.201 -40.964 -13.781 1.00 44.41 H new ATOM 1367 N THR A 89 -24.879 -43.678 -13.956 1.00 43.13 N ATOM 1368 CA THR A 89 -25.729 -44.736 -13.430 1.00 3.03 C ATOM 1369 C THR A 89 -25.311 -46.101 -13.992 1.00 72.34 C ATOM 1370 O THR A 89 -25.384 -47.116 -13.296 1.00 54.24 O ATOM 1371 CB THR A 89 -27.213 -44.458 -13.762 1.00 23.32 C ATOM 1372 OG1 THR A 89 -27.561 -43.136 -13.323 1.00 72.42 O ATOM 1373 CG2 THR A 89 -28.138 -45.477 -13.095 1.00 3.52 C ATOM 0 H THR A 89 -25.381 -42.964 -14.484 1.00 43.13 H new ATOM 0 HA THR A 89 -25.610 -44.756 -12.347 1.00 3.03 H new ATOM 0 HB THR A 89 -27.340 -44.542 -14.841 1.00 23.32 H new ATOM 0 HG1 THR A 89 -28.501 -42.958 -13.535 1.00 72.42 H new ATOM 0 HG21 THR A 89 -29.173 -45.251 -13.350 1.00 3.52 H new ATOM 0 HG22 THR A 89 -27.889 -46.479 -13.445 1.00 3.52 H new ATOM 0 HG23 THR A 89 -28.012 -45.429 -12.013 1.00 3.52 H new ATOM 1381 N GLN A 90 -24.855 -46.110 -15.249 1.00 45.13 N ATOM 1382 CA GLN A 90 -24.366 -47.334 -15.885 1.00 11.14 C ATOM 1383 C GLN A 90 -23.171 -47.894 -15.113 1.00 24.42 C ATOM 1384 O GLN A 90 -23.179 -49.051 -14.682 1.00 33.43 O ATOM 1385 CB GLN A 90 -23.960 -47.074 -17.346 1.00 21.33 C ATOM 1386 CG GLN A 90 -25.098 -46.609 -18.250 1.00 23.40 C ATOM 1387 CD GLN A 90 -26.253 -47.595 -18.302 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -27.196 -47.508 -17.516 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -26.184 -48.541 -19.225 1.00 52.44 N ATOM 0 H GLN A 90 -24.815 -45.283 -15.844 1.00 45.13 H new ATOM 0 HA GLN A 90 -25.177 -48.062 -15.873 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -23.171 -46.322 -17.361 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -23.536 -47.989 -17.760 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -25.465 -45.645 -17.897 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -24.714 -46.454 -19.258 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -25.385 -48.579 -19.858 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -26.930 -49.232 -19.303 1.00 52.44 H new ATOM 1398 N TYR A 91 -22.147 -47.060 -14.927 1.00 23.00 N ATOM 1399 CA TYR A 91 -20.916 -47.494 -14.259 1.00 63.04 C ATOM 1400 C TYR A 91 -21.105 -47.661 -12.749 1.00 53.41 C ATOM 1401 O TYR A 91 -20.267 -48.272 -12.082 1.00 53.15 O ATOM 1402 CB TYR A 91 -19.763 -46.530 -14.575 1.00 50.03 C ATOM 1403 CG TYR A 91 -19.218 -46.710 -15.983 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -18.068 -47.461 -16.212 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -19.864 -46.154 -17.082 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -17.578 -47.648 -17.492 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -19.378 -46.334 -18.364 1.00 43.30 C ATOM 1408 CZ TYR A 91 -18.236 -47.084 -18.562 1.00 51.11 C ATOM 1409 OH TYR A 91 -17.752 -47.273 -19.836 1.00 21.33 O ATOM 0 H TYR A 91 -22.144 -46.085 -15.227 1.00 23.00 H new ATOM 0 HA TYR A 91 -20.660 -48.478 -14.652 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -20.109 -45.504 -14.452 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -18.959 -46.684 -13.856 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -17.549 -47.905 -15.375 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -20.761 -45.571 -16.932 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -16.684 -48.233 -17.651 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -19.889 -45.890 -19.206 1.00 43.30 H new ATOM 0 HH TYR A 91 -18.331 -46.811 -20.478 1.00 21.33 H new ATOM 1419 N GLY A 92 -22.194 -47.114 -12.211 1.00 22.12 N ATOM 1420 CA GLY A 92 -22.553 -47.389 -10.822 1.00 65.55 C ATOM 1421 C GLY A 92 -22.545 -46.150 -9.953 1.00 41.00 C ATOM 1422 O GLY A 92 -22.808 -46.224 -8.748 1.00 12.12 O ATOM 0 H GLY A 92 -22.832 -46.490 -12.705 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -23.544 -47.841 -10.791 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -21.857 -48.119 -10.410 1.00 65.55 H new ATOM 1426 N VAL A 93 -22.236 -45.014 -10.558 1.00 13.51 N ATOM 1427 CA VAL A 93 -22.251 -43.742 -9.855 1.00 13.34 C ATOM 1428 C VAL A 93 -23.685 -43.370 -9.481 1.00 30.02 C ATOM 1429 O VAL A 93 -24.504 -43.049 -10.344 1.00 73.22 O ATOM 1430 CB VAL A 93 -21.623 -42.621 -10.710 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -21.752 -41.273 -10.011 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -20.161 -42.939 -11.026 1.00 13.21 C ATOM 0 H VAL A 93 -21.970 -44.948 -11.541 1.00 13.51 H new ATOM 0 HA VAL A 93 -21.655 -43.850 -8.949 1.00 13.34 H new ATOM 0 HB VAL A 93 -22.166 -42.563 -11.653 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -21.303 -40.497 -10.631 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -22.806 -41.045 -9.852 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -21.240 -41.311 -9.050 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -19.736 -42.137 -11.629 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -19.599 -43.030 -10.096 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -20.104 -43.877 -11.578 1.00 13.21 H new ATOM 1442 N SER A 94 -23.981 -43.433 -8.189 1.00 15.51 N ATOM 1443 CA SER A 94 -25.334 -43.218 -7.689 1.00 63.12 C ATOM 1444 C SER A 94 -25.529 -41.777 -7.205 1.00 52.01 C ATOM 1445 O SER A 94 -26.643 -41.367 -6.874 1.00 33.01 O ATOM 1446 CB SER A 94 -25.602 -44.209 -6.554 1.00 45.35 C ATOM 1447 OG SER A 94 -26.925 -44.096 -6.055 1.00 22.42 O ATOM 0 H SER A 94 -23.295 -43.633 -7.461 1.00 15.51 H new ATOM 0 HA SER A 94 -26.044 -43.383 -8.500 1.00 63.12 H new ATOM 0 HB2 SER A 94 -25.434 -45.225 -6.912 1.00 45.35 H new ATOM 0 HB3 SER A 94 -24.893 -44.035 -5.745 1.00 45.35 H new ATOM 0 HG SER A 94 -27.280 -43.207 -6.267 1.00 22.42 H new ATOM 1453 N ALA A 95 -24.444 -41.011 -7.171 1.00 12.01 N ATOM 1454 CA ALA A 95 -24.490 -39.619 -6.731 1.00 52.44 C ATOM 1455 C ALA A 95 -23.377 -38.827 -7.397 1.00 22.24 C ATOM 1456 O ALA A 95 -22.397 -39.402 -7.851 1.00 22.21 O ATOM 1457 CB ALA A 95 -24.369 -39.530 -5.211 1.00 0.24 C ATOM 0 H ALA A 95 -23.515 -41.332 -7.445 1.00 12.01 H new ATOM 0 HA ALA A 95 -25.450 -39.193 -7.022 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -24.405 -38.485 -4.904 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -25.193 -40.073 -4.748 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -23.422 -39.968 -4.895 1.00 0.24 H new ATOM 1463 N ILE A 96 -23.531 -37.515 -7.458 1.00 40.13 N ATOM 1464 CA ILE A 96 -22.534 -36.652 -8.084 1.00 41.53 C ATOM 1465 C ILE A 96 -22.141 -35.522 -7.131 1.00 24.21 C ATOM 1466 O ILE A 96 -22.973 -35.055 -6.351 1.00 22.54 O ATOM 1467 CB ILE A 96 -23.050 -36.071 -9.430 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -24.473 -35.506 -9.264 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -23.008 -37.136 -10.528 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -25.092 -35.000 -10.552 1.00 75.51 C ATOM 0 H ILE A 96 -24.339 -37.019 -7.081 1.00 40.13 H new ATOM 0 HA ILE A 96 -21.654 -37.257 -8.300 1.00 41.53 H new ATOM 0 HB ILE A 96 -22.393 -35.254 -9.728 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -25.114 -36.282 -8.846 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -24.447 -34.691 -8.541 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -23.373 -36.710 -11.462 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -21.982 -37.480 -10.662 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -23.639 -37.978 -10.242 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -26.093 -34.619 -10.350 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -24.475 -34.200 -10.962 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -25.153 -35.816 -11.272 1.00 75.51 H new ATOM 1482 N PRO A 97 -20.857 -35.092 -7.135 1.00 41.14 N ATOM 1483 CA PRO A 97 -19.782 -35.686 -7.956 1.00 50.44 C ATOM 1484 C PRO A 97 -19.330 -37.055 -7.424 1.00 2.04 C ATOM 1485 O PRO A 97 -19.855 -37.545 -6.418 1.00 63.12 O ATOM 1486 CB PRO A 97 -18.632 -34.657 -7.859 1.00 4.13 C ATOM 1487 CG PRO A 97 -19.219 -33.457 -7.185 1.00 64.14 C ATOM 1488 CD PRO A 97 -20.348 -33.972 -6.337 1.00 35.15 C ATOM 0 HA PRO A 97 -20.111 -35.873 -8.978 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -17.795 -35.058 -7.287 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -18.249 -34.403 -8.848 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -18.473 -32.948 -6.575 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -19.579 -32.734 -7.918 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -20.003 -34.297 -5.355 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -21.111 -33.212 -6.171 1.00 35.15 H new ATOM 1496 N THR A 98 -18.359 -37.662 -8.100 1.00 51.24 N ATOM 1497 CA THR A 98 -17.857 -38.986 -7.733 1.00 74.00 C ATOM 1498 C THR A 98 -16.477 -39.225 -8.334 1.00 5.01 C ATOM 1499 O THR A 98 -16.239 -38.933 -9.505 1.00 43.51 O ATOM 1500 CB THR A 98 -18.818 -40.116 -8.179 1.00 21.00 C ATOM 1501 OG1 THR A 98 -20.004 -40.091 -7.378 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.168 -41.494 -8.068 1.00 73.42 C ATOM 0 H THR A 98 -17.899 -37.254 -8.914 1.00 51.24 H new ATOM 0 HA THR A 98 -17.789 -39.008 -6.645 1.00 74.00 H new ATOM 0 HB THR A 98 -19.065 -39.940 -9.226 1.00 21.00 H new ATOM 0 HG1 THR A 98 -20.691 -39.556 -7.828 1.00 33.40 H new ATOM 0 HG21 THR A 98 -18.876 -42.257 -8.390 1.00 73.42 H new ATOM 0 HG22 THR A 98 -17.282 -41.530 -8.702 1.00 73.42 H new ATOM 0 HG23 THR A 98 -17.882 -41.679 -7.033 1.00 73.42 H new ATOM 1510 N ILE A 99 -15.592 -39.799 -7.526 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.202 -39.994 -7.894 1.00 62.41 C ATOM 1512 C ILE A 99 -13.890 -41.472 -8.121 1.00 30.42 C ATOM 1513 O ILE A 99 -13.895 -42.267 -7.179 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.281 -39.473 -6.763 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -13.454 -37.958 -6.569 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -11.817 -39.817 -7.042 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -12.992 -37.137 -7.749 1.00 13.43 C ATOM 0 H ILE A 99 -15.824 -40.142 -6.594 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.026 -39.444 -8.819 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.575 -39.971 -5.839 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -14.505 -37.743 -6.378 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -12.899 -37.649 -5.683 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.194 -39.439 -6.232 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.704 -40.899 -7.112 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -11.508 -39.359 -7.981 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -13.145 -36.079 -7.538 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -11.933 -37.322 -7.928 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -13.564 -37.417 -8.634 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.637 -41.831 -9.375 1.00 43.14 N ATOM 1530 CA LEU A 100 -13.082 -43.138 -9.714 1.00 54.31 C ATOM 1531 C LEU A 100 -11.572 -42.987 -9.865 1.00 72.51 C ATOM 1532 O LEU A 100 -11.110 -42.168 -10.657 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.688 -43.682 -11.022 1.00 62.44 C ATOM 1534 CG LEU A 100 -15.154 -44.152 -10.945 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -16.093 -43.001 -10.603 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -15.574 -44.822 -12.254 1.00 53.13 C ATOM 0 H LEU A 100 -13.809 -41.230 -10.181 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.322 -43.848 -8.922 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -13.616 -42.905 -11.783 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -13.077 -44.518 -11.362 1.00 62.44 H new ATOM 0 HG LEU A 100 -15.225 -44.885 -10.142 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -17.118 -43.369 -10.557 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -15.815 -42.580 -9.637 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -16.018 -42.230 -11.370 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.612 -45.147 -12.180 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -15.474 -44.112 -13.075 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -14.936 -45.686 -12.442 1.00 53.13 H new ATOM 1548 N MET A 101 -10.806 -43.755 -9.105 1.00 11.43 N ATOM 1549 CA MET A 101 -9.353 -43.614 -9.106 1.00 4.10 C ATOM 1550 C MET A 101 -8.703 -44.662 -10.003 1.00 43.12 C ATOM 1551 O MET A 101 -9.160 -45.804 -10.084 1.00 65.12 O ATOM 1552 CB MET A 101 -8.792 -43.732 -7.680 1.00 31.24 C ATOM 1553 CG MET A 101 -9.406 -42.763 -6.682 1.00 63.31 C ATOM 1554 SD MET A 101 -8.566 -42.774 -5.088 1.00 12.02 S ATOM 1555 CE MET A 101 -9.382 -41.393 -4.290 1.00 54.53 C ATOM 0 H MET A 101 -11.162 -44.480 -8.482 1.00 11.43 H new ATOM 0 HA MET A 101 -9.118 -42.624 -9.497 1.00 4.10 H new ATOM 0 HB2 MET A 101 -8.949 -44.750 -7.324 1.00 31.24 H new ATOM 0 HB3 MET A 101 -7.715 -43.568 -7.712 1.00 31.24 H new ATOM 0 HG2 MET A 101 -9.376 -41.755 -7.096 1.00 63.31 H new ATOM 0 HG3 MET A 101 -10.456 -43.016 -6.536 1.00 63.31 H new ATOM 0 HE1 MET A 101 -8.721 -40.967 -3.535 1.00 54.53 H new ATOM 0 HE2 MET A 101 -9.621 -40.633 -5.034 1.00 54.53 H new ATOM 0 HE3 MET A 101 -10.300 -41.738 -3.815 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.638 -44.255 -10.679 1.00 13.11 N ATOM 1566 CA PHE A 102 -6.824 -45.148 -11.498 1.00 71.35 C ATOM 1567 C PHE A 102 -5.365 -44.734 -11.356 1.00 34.00 C ATOM 1568 O PHE A 102 -5.076 -43.550 -11.195 1.00 61.02 O ATOM 1569 CB PHE A 102 -7.246 -45.079 -12.974 1.00 21.10 C ATOM 1570 CG PHE A 102 -8.696 -45.416 -13.222 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -9.644 -44.409 -13.357 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -9.111 -46.737 -13.319 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -10.972 -44.714 -13.583 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -10.439 -47.045 -13.545 1.00 73.14 C ATOM 1575 CZ PHE A 102 -11.370 -46.034 -13.678 1.00 3.41 C ATOM 0 H PHE A 102 -7.310 -43.289 -10.676 1.00 13.11 H new ATOM 0 HA PHE A 102 -6.963 -46.175 -11.159 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -7.049 -44.075 -13.349 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -6.623 -45.763 -13.550 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.339 -43.376 -13.284 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -8.388 -47.533 -13.217 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -11.699 -43.922 -13.685 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -10.749 -48.077 -13.618 1.00 73.14 H new ATOM 0 HZ PHE A 102 -12.408 -46.274 -13.856 1.00 3.41 H new ATOM 1585 N LYS A 103 -4.441 -45.688 -11.396 1.00 14.01 N ATOM 1586 CA LYS A 103 -3.024 -45.356 -11.242 1.00 2.12 C ATOM 1587 C LYS A 103 -2.160 -46.232 -12.143 1.00 22.12 C ATOM 1588 O LYS A 103 -1.999 -47.427 -11.893 1.00 72.21 O ATOM 1589 CB LYS A 103 -2.613 -45.493 -9.765 1.00 74.24 C ATOM 1590 CG LYS A 103 -1.212 -44.981 -9.442 1.00 43.03 C ATOM 1591 CD LYS A 103 -1.013 -44.791 -7.935 1.00 41.12 C ATOM 1592 CE LYS A 103 -1.111 -46.100 -7.156 1.00 53.33 C ATOM 1593 NZ LYS A 103 0.039 -47.005 -7.426 1.00 71.52 N1+ ATOM 0 H LYS A 103 -4.639 -46.680 -11.531 1.00 14.01 H new ATOM 0 HA LYS A 103 -2.868 -44.322 -11.548 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -3.333 -44.953 -9.150 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -2.676 -46.543 -9.481 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -0.471 -45.684 -9.821 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -1.044 -44.034 -9.954 1.00 43.03 H new ATOM 0 HD2 LYS A 103 -0.037 -44.339 -7.756 1.00 41.12 H new ATOM 0 HD3 LYS A 103 -1.761 -44.093 -7.559 1.00 41.12 H new ATOM 0 HE2 LYS A 103 -1.157 -45.883 -6.089 1.00 53.33 H new ATOM 0 HE3 LYS A 103 -2.039 -46.608 -7.418 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 -0.063 -47.873 -6.862 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 0.059 -47.249 -8.437 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 0.925 -46.526 -7.168 1.00 71.52 H new ATOM 1607 N ASN A 104 -1.630 -45.623 -13.208 1.00 41.43 N ATOM 1608 CA ASN A 104 -0.779 -46.316 -14.183 1.00 72.22 C ATOM 1609 C ASN A 104 -1.536 -47.490 -14.817 1.00 0.14 C ATOM 1610 O ASN A 104 -0.949 -48.473 -15.261 1.00 72.20 O ATOM 1611 CB ASN A 104 0.536 -46.772 -13.513 1.00 20.21 C ATOM 1612 CG ASN A 104 1.546 -47.358 -14.493 1.00 24.30 C ATOM 1613 OD1 ASN A 104 1.646 -48.575 -14.649 1.00 10.43 O ATOM 1614 ND2 ASN A 104 2.293 -46.497 -15.172 1.00 31.24 N ATOM 0 H ASN A 104 -1.778 -44.636 -13.419 1.00 41.43 H new ATOM 0 HA ASN A 104 -0.519 -45.626 -14.986 1.00 72.22 H new ATOM 0 HB2 ASN A 104 0.988 -45.922 -13.002 1.00 20.21 H new ATOM 0 HB3 ASN A 104 0.307 -47.517 -12.751 1.00 20.21 H new ATOM 0 HD21 ASN A 104 2.976 -46.837 -15.848 1.00 31.24 H new ATOM 0 HD22 ASN A 104 2.184 -45.495 -15.018 1.00 31.24 H new ATOM 1621 N GLY A 105 -2.858 -47.355 -14.880 1.00 32.31 N ATOM 1622 CA GLY A 105 -3.697 -48.393 -15.462 1.00 42.31 C ATOM 1623 C GLY A 105 -4.191 -49.389 -14.431 1.00 34.43 C ATOM 1624 O GLY A 105 -5.133 -50.145 -14.687 1.00 43.11 O ATOM 0 H GLY A 105 -3.367 -46.541 -14.537 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -4.553 -47.930 -15.954 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -3.134 -48.921 -16.232 1.00 42.31 H new ATOM 1628 N LYS A 106 -3.554 -49.393 -13.264 1.00 12.22 N ATOM 1629 CA LYS A 106 -3.944 -50.280 -12.174 1.00 63.04 C ATOM 1630 C LYS A 106 -5.224 -49.742 -11.527 1.00 35.11 C ATOM 1631 O LYS A 106 -5.390 -48.520 -11.389 1.00 44.30 O ATOM 1632 CB LYS A 106 -2.788 -50.391 -11.154 1.00 13.01 C ATOM 1633 CG LYS A 106 -2.929 -51.523 -10.130 1.00 24.15 C ATOM 1634 CD LYS A 106 -3.867 -51.159 -8.983 1.00 53.23 C ATOM 1635 CE LYS A 106 -4.100 -52.330 -8.039 1.00 13.04 C ATOM 1636 NZ LYS A 106 -5.060 -51.980 -6.959 1.00 41.10 N1+ ATOM 0 H LYS A 106 -2.761 -48.788 -13.049 1.00 12.22 H new ATOM 0 HA LYS A 106 -4.147 -51.282 -12.552 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -1.855 -50.530 -11.700 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -2.705 -49.446 -10.618 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -3.302 -52.417 -10.630 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -1.946 -51.769 -9.728 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -3.448 -50.322 -8.425 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -4.822 -50.825 -9.389 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -4.480 -53.182 -8.602 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -3.152 -52.637 -7.598 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -5.364 -52.846 -6.471 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -4.600 -51.343 -6.278 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -5.889 -51.506 -7.371 1.00 41.10 H new ATOM 1650 N LYS A 107 -6.126 -50.652 -11.150 1.00 44.23 N ATOM 1651 CA LYS A 107 -7.431 -50.282 -10.602 1.00 71.41 C ATOM 1652 C LYS A 107 -7.307 -49.730 -9.181 1.00 52.45 C ATOM 1653 O LYS A 107 -6.775 -50.385 -8.280 1.00 11.33 O ATOM 1654 CB LYS A 107 -8.393 -51.479 -10.624 1.00 63.10 C ATOM 1655 CG LYS A 107 -9.805 -51.147 -10.131 1.00 42.24 C ATOM 1656 CD LYS A 107 -10.491 -50.076 -10.990 1.00 71.43 C ATOM 1657 CE LYS A 107 -11.046 -50.631 -12.306 1.00 14.53 C ATOM 1658 NZ LYS A 107 -9.998 -51.223 -13.179 1.00 70.01 N1+ ATOM 0 H LYS A 107 -5.973 -51.658 -11.216 1.00 44.23 H new ATOM 0 HA LYS A 107 -7.838 -49.494 -11.236 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -8.455 -51.865 -11.642 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -7.980 -52.276 -10.006 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -10.410 -52.054 -10.135 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -9.754 -50.802 -9.098 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -11.304 -49.626 -10.420 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -9.778 -49.281 -11.209 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -11.797 -51.389 -12.085 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -11.551 -49.830 -12.847 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -10.290 -51.145 -14.174 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -9.102 -50.713 -13.041 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -9.867 -52.225 -12.934 1.00 70.01 H new ATOM 1672 N LEU A 108 -7.827 -48.526 -9.005 1.00 60.01 N ATOM 1673 CA LEU A 108 -7.767 -47.777 -7.754 1.00 60.42 C ATOM 1674 C LEU A 108 -9.179 -47.476 -7.258 1.00 41.03 C ATOM 1675 O LEU A 108 -10.154 -47.676 -7.985 1.00 12.22 O ATOM 1676 CB LEU A 108 -6.921 -46.500 -7.893 1.00 52.31 C ATOM 1677 CG LEU A 108 -5.438 -46.646 -7.509 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -5.298 -47.007 -6.034 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -4.741 -47.687 -8.383 1.00 11.12 C ATOM 0 H LEU A 108 -8.317 -48.026 -9.747 1.00 60.01 H new ATOM 0 HA LEU A 108 -7.268 -48.394 -7.007 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -6.979 -46.156 -8.926 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -7.365 -45.721 -7.273 1.00 52.31 H new ATOM 0 HG LEU A 108 -4.953 -45.685 -7.679 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -4.242 -47.106 -5.782 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -5.745 -46.222 -5.423 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -5.807 -47.951 -5.841 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -3.695 -47.768 -8.088 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -5.229 -48.653 -8.257 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -4.801 -47.384 -9.428 1.00 11.12 H new ATOM 1691 N SER A 109 -9.279 -47.019 -6.017 1.00 60.43 N ATOM 1692 CA SER A 109 -10.543 -46.991 -5.282 1.00 11.20 C ATOM 1693 C SER A 109 -11.506 -45.937 -5.840 1.00 20.34 C ATOM 1694 O SER A 109 -11.177 -45.201 -6.767 1.00 72.41 O ATOM 1695 CB SER A 109 -10.242 -46.653 -3.811 1.00 32.42 C ATOM 1696 OG SER A 109 -10.609 -47.711 -2.941 1.00 42.25 O ATOM 0 H SER A 109 -8.486 -46.656 -5.488 1.00 60.43 H new ATOM 0 HA SER A 109 -11.018 -47.967 -5.380 1.00 11.20 H new ATOM 0 HB2 SER A 109 -9.179 -46.441 -3.697 1.00 32.42 H new ATOM 0 HB3 SER A 109 -10.779 -45.748 -3.529 1.00 32.42 H new ATOM 0 HG SER A 109 -10.402 -47.461 -2.016 1.00 42.25 H new ATOM 1702 N GLN A 110 -12.707 -45.890 -5.274 1.00 61.23 N ATOM 1703 CA GLN A 110 -13.753 -44.997 -5.750 1.00 74.54 C ATOM 1704 C GLN A 110 -14.534 -44.413 -4.575 1.00 60.21 C ATOM 1705 O GLN A 110 -15.023 -45.150 -3.714 1.00 10.33 O ATOM 1706 CB GLN A 110 -14.705 -45.759 -6.684 1.00 11.44 C ATOM 1707 CG GLN A 110 -15.779 -44.883 -7.322 1.00 71.21 C ATOM 1708 CD GLN A 110 -16.788 -45.675 -8.137 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -16.484 -46.740 -8.671 1.00 25.31 O ATOM 1710 NE2 GLN A 110 -17.994 -45.141 -8.263 1.00 4.42 N ATOM 0 H GLN A 110 -12.980 -46.466 -4.478 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.289 -44.178 -6.300 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.121 -46.234 -7.473 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.189 -46.557 -6.121 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.303 -44.334 -6.540 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -15.302 -44.144 -7.965 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -18.210 -44.255 -7.805 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -18.706 -45.615 -8.818 1.00 4.42 H new ATOM 1719 N VAL A 111 -14.640 -43.087 -4.536 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.448 -42.410 -3.527 1.00 60.35 C ATOM 1721 C VAL A 111 -16.627 -41.710 -4.197 1.00 22.32 C ATOM 1722 O VAL A 111 -16.464 -41.000 -5.186 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.628 -41.398 -2.677 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -13.525 -42.111 -1.900 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -14.040 -40.286 -3.537 1.00 44.03 C ATOM 0 H VAL A 111 -14.175 -42.460 -5.193 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.812 -43.172 -2.838 1.00 60.35 H new ATOM 0 HB VAL A 111 -15.315 -40.939 -1.966 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -12.965 -41.383 -1.313 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -13.969 -42.850 -1.234 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -12.852 -42.609 -2.598 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -13.474 -39.599 -2.907 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -13.379 -40.718 -4.288 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -14.846 -39.744 -4.032 1.00 44.03 H new ATOM 1735 N ILE A 112 -17.813 -41.947 -3.665 1.00 51.33 N ATOM 1736 CA ILE A 112 -19.047 -41.405 -4.222 1.00 62.14 C ATOM 1737 C ILE A 112 -19.636 -40.379 -3.262 1.00 15.21 C ATOM 1738 O ILE A 112 -19.989 -40.714 -2.128 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.092 -42.523 -4.487 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -19.485 -43.638 -5.359 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.344 -41.943 -5.149 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -20.442 -44.773 -5.666 1.00 61.34 C ATOM 0 H ILE A 112 -17.951 -42.521 -2.833 1.00 51.33 H new ATOM 0 HA ILE A 112 -18.806 -40.932 -5.174 1.00 62.14 H new ATOM 0 HB ILE A 112 -20.380 -42.957 -3.529 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -19.140 -43.204 -6.297 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -18.608 -44.043 -4.854 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -22.065 -42.741 -5.327 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -21.788 -41.193 -4.494 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -21.073 -41.481 -6.098 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -19.938 -45.516 -6.284 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.768 -45.236 -4.735 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -21.309 -44.384 -6.201 1.00 61.34 H new ATOM 1754 N GLY A 113 -19.736 -39.138 -3.717 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.210 -38.058 -2.871 1.00 14.45 C ATOM 1756 C GLY A 113 -19.114 -37.048 -2.603 1.00 3.03 C ATOM 1757 O GLY A 113 -17.941 -37.412 -2.476 1.00 60.32 O ATOM 0 H GLY A 113 -19.495 -38.857 -4.667 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.055 -37.563 -3.349 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -20.572 -38.465 -1.927 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.487 -35.778 -2.511 1.00 12.52 N ATOM 1762 CA ALA A 114 -18.518 -34.704 -2.332 1.00 24.52 C ATOM 1763 C ALA A 114 -18.134 -34.541 -0.862 1.00 0.33 C ATOM 1764 O ALA A 114 -18.552 -33.587 -0.201 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.071 -33.402 -2.894 1.00 15.11 C ATOM 0 H ALA A 114 -20.457 -35.466 -2.558 1.00 12.52 H new ATOM 0 HA ALA A 114 -17.613 -34.966 -2.880 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -18.339 -32.606 -2.755 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -19.278 -33.523 -3.957 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -19.992 -33.143 -2.372 1.00 15.11 H new ATOM 1771 N ASP A 115 -17.359 -35.494 -0.348 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.832 -35.408 1.014 1.00 1.22 C ATOM 1773 C ASP A 115 -15.316 -35.246 0.973 1.00 22.24 C ATOM 1774 O ASP A 115 -14.582 -36.206 0.716 1.00 33.32 O ATOM 1775 CB ASP A 115 -17.198 -36.643 1.850 1.00 64.14 C ATOM 1776 CG ASP A 115 -16.786 -36.475 3.307 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -15.809 -37.119 3.739 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -17.421 -35.669 4.021 1.00 30.13 O1- ATOM 0 H ASP A 115 -17.082 -36.335 -0.854 1.00 64.24 H new ATOM 0 HA ASP A 115 -17.286 -34.538 1.489 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -18.273 -36.817 1.793 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.710 -37.524 1.432 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.856 -34.027 1.235 1.00 10.14 N ATOM 1784 CA ILE A 116 -13.442 -33.683 1.108 1.00 23.23 C ATOM 1785 C ILE A 116 -12.576 -34.524 2.047 1.00 50.32 C ATOM 1786 O ILE A 116 -11.447 -34.884 1.707 1.00 24.53 O ATOM 1787 CB ILE A 116 -13.201 -32.175 1.386 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.739 -31.793 1.092 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -13.575 -31.818 2.828 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -11.317 -32.047 -0.343 1.00 62.15 C ATOM 0 H ILE A 116 -15.447 -33.254 1.539 1.00 10.14 H new ATOM 0 HA ILE A 116 -13.154 -33.901 0.080 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.844 -31.602 0.718 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -11.596 -30.737 1.322 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -11.085 -32.356 1.758 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -13.397 -30.756 2.998 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -14.629 -32.041 2.996 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -12.966 -32.403 3.517 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -10.275 -31.753 -0.473 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.427 -33.107 -0.572 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -11.945 -31.463 -1.016 1.00 62.15 H new ATOM 1802 N SER A 117 -13.116 -34.850 3.215 1.00 64.32 N ATOM 1803 CA SER A 117 -12.384 -35.617 4.214 1.00 24.52 C ATOM 1804 C SER A 117 -12.079 -37.020 3.681 1.00 72.20 C ATOM 1805 O SER A 117 -10.932 -37.476 3.712 1.00 63.13 O ATOM 1806 CB SER A 117 -13.191 -35.692 5.520 1.00 2.24 C ATOM 1807 OG SER A 117 -12.429 -36.266 6.571 1.00 54.32 O ATOM 0 H SER A 117 -14.063 -34.593 3.494 1.00 64.32 H new ATOM 0 HA SER A 117 -11.439 -35.117 4.424 1.00 24.52 H new ATOM 0 HB2 SER A 117 -13.513 -34.691 5.808 1.00 2.24 H new ATOM 0 HB3 SER A 117 -14.093 -36.283 5.358 1.00 2.24 H new ATOM 0 HG SER A 117 -12.970 -36.298 7.388 1.00 54.32 H new ATOM 1813 N LYS A 118 -13.108 -37.686 3.168 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.964 -39.022 2.600 1.00 23.25 C ATOM 1815 C LYS A 118 -12.013 -38.987 1.407 1.00 51.14 C ATOM 1816 O LYS A 118 -11.100 -39.810 1.303 1.00 44.54 O ATOM 1817 CB LYS A 118 -14.340 -39.568 2.180 1.00 55.14 C ATOM 1818 CG LYS A 118 -14.308 -40.933 1.495 1.00 21.34 C ATOM 1819 CD LYS A 118 -13.695 -42.018 2.384 1.00 32.24 C ATOM 1820 CE LYS A 118 -13.718 -43.387 1.705 1.00 45.55 C ATOM 1821 NZ LYS A 118 -13.059 -44.437 2.529 1.00 20.35 N1+ ATOM 0 H LYS A 118 -14.059 -37.318 3.134 1.00 24.02 H new ATOM 0 HA LYS A 118 -12.544 -39.685 3.356 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -14.973 -39.636 3.065 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.809 -38.851 1.507 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -15.322 -41.222 1.220 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.736 -40.859 0.570 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -12.667 -41.750 2.628 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -14.243 -42.070 3.325 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -14.751 -43.676 1.510 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -13.218 -43.319 0.739 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -13.314 -45.376 2.163 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -12.027 -44.317 2.484 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -13.375 -44.352 3.516 1.00 20.35 H new ATOM 1835 N ILE A 119 -12.218 -38.013 0.522 1.00 22.14 N ATOM 1836 CA ILE A 119 -11.391 -37.868 -0.673 1.00 2.21 C ATOM 1837 C ILE A 119 -9.913 -37.710 -0.306 1.00 62.22 C ATOM 1838 O ILE A 119 -9.060 -38.437 -0.814 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.847 -36.662 -1.538 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -13.300 -36.862 -2.006 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.918 -36.472 -2.739 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.863 -35.695 -2.792 1.00 40.14 C ATOM 0 H ILE A 119 -12.952 -37.311 0.611 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.514 -38.780 -1.258 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.798 -35.761 -0.926 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -13.352 -37.760 -2.622 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.930 -37.037 -1.134 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -11.257 -35.621 -3.330 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.903 -36.288 -2.388 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -10.932 -37.371 -3.355 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.890 -35.915 -3.085 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.846 -34.798 -2.173 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -13.259 -35.532 -3.684 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.617 -36.778 0.601 1.00 71.14 N ATOM 1855 CA ILE A 120 -8.231 -36.495 0.986 1.00 1.52 C ATOM 1856 C ILE A 120 -7.616 -37.716 1.670 1.00 44.53 C ATOM 1857 O ILE A 120 -6.451 -38.060 1.417 1.00 2.32 O ATOM 1858 CB ILE A 120 -8.122 -35.224 1.893 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -6.670 -34.688 1.967 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -8.666 -35.489 3.297 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -5.738 -35.456 2.889 1.00 43.13 C ATOM 0 H ILE A 120 -10.313 -36.208 1.081 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.668 -36.281 0.077 1.00 1.52 H new ATOM 0 HB ILE A 120 -8.738 -34.454 1.428 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -6.247 -34.695 0.963 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -6.701 -33.648 2.293 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -8.574 -34.585 3.899 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -9.715 -35.777 3.232 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -8.097 -36.294 3.762 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -4.748 -35.000 2.868 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -6.129 -35.429 3.906 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -5.668 -36.491 2.555 1.00 43.13 H new ATOM 1873 N SER A 121 -8.407 -38.388 2.512 1.00 33.33 N ATOM 1874 CA SER A 121 -7.956 -39.599 3.184 1.00 32.12 C ATOM 1875 C SER A 121 -7.487 -40.622 2.153 1.00 12.31 C ATOM 1876 O SER A 121 -6.372 -41.140 2.240 1.00 23.30 O ATOM 1877 CB SER A 121 -9.075 -40.189 4.051 1.00 43.12 C ATOM 1878 OG SER A 121 -9.423 -39.307 5.105 1.00 42.33 O ATOM 0 H SER A 121 -9.361 -38.110 2.741 1.00 33.33 H new ATOM 0 HA SER A 121 -7.121 -39.344 3.836 1.00 32.12 H new ATOM 0 HB2 SER A 121 -9.951 -40.387 3.434 1.00 43.12 H new ATOM 0 HB3 SER A 121 -8.754 -41.145 4.464 1.00 43.12 H new ATOM 0 HG SER A 121 -9.977 -38.579 4.753 1.00 42.33 H new ATOM 1884 N GLU A 122 -8.329 -40.872 1.156 1.00 14.44 N ATOM 1885 CA GLU A 122 -8.005 -41.826 0.104 1.00 72.13 C ATOM 1886 C GLU A 122 -6.776 -41.369 -0.680 1.00 73.04 C ATOM 1887 O GLU A 122 -5.881 -42.170 -0.956 1.00 20.21 O ATOM 1888 CB GLU A 122 -9.196 -42.011 -0.842 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.455 -42.533 -0.159 1.00 71.24 C ATOM 1890 CD GLU A 122 -10.246 -43.867 0.543 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -9.920 -44.857 -0.142 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -10.438 -43.933 1.779 1.00 70.43 O1- ATOM 0 H GLU A 122 -9.241 -40.427 1.055 1.00 14.44 H new ATOM 0 HA GLU A 122 -7.781 -42.784 0.573 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -9.422 -41.056 -1.316 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -8.912 -42.702 -1.636 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -10.798 -41.797 0.568 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -11.246 -42.640 -0.902 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.728 -40.079 -1.023 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.609 -39.533 -1.792 1.00 32.41 C ATOM 1901 C ILE A 123 -4.278 -39.861 -1.119 1.00 5.24 C ATOM 1902 O ILE A 123 -3.421 -40.522 -1.711 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.720 -37.989 -1.968 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -6.897 -37.622 -2.888 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -4.419 -37.407 -2.519 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -7.204 -36.142 -2.922 1.00 15.35 C ATOM 0 H ILE A 123 -7.447 -39.397 -0.781 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.650 -39.998 -2.777 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.903 -37.557 -0.984 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.675 -37.961 -3.900 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.786 -38.161 -2.559 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -4.523 -36.328 -2.633 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.603 -37.623 -1.829 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -4.202 -37.855 -3.489 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -8.045 -35.960 -3.591 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -7.458 -35.800 -1.919 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -6.331 -35.597 -3.281 1.00 15.35 H new ATOM 1918 N ASN A 124 -4.134 -39.462 0.145 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.863 -39.652 0.847 1.00 42.31 C ATOM 1920 C ASN A 124 -2.631 -41.136 1.133 1.00 20.40 C ATOM 1921 O ASN A 124 -1.492 -41.610 1.126 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.803 -38.829 2.148 1.00 5.10 C ATOM 1923 CG ASN A 124 -3.591 -39.434 3.301 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -4.823 -38.988 3.483 1.00 31.24 O flip ATOM 1925 ND2 ASN A 124 -3.079 -40.277 4.041 1.00 15.41 N flip ATOM 0 H ASN A 124 -4.866 -39.013 0.696 1.00 61.24 H new ATOM 0 HA ASN A 124 -2.066 -39.291 0.197 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -1.761 -38.722 2.450 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -3.182 -37.826 1.949 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -2.126 -40.596 3.868 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -3.609 -40.655 4.826 1.00 15.41 H new ATOM 1932 N ASN A 125 -3.725 -41.865 1.350 1.00 31.14 N ATOM 1933 CA ASN A 125 -3.670 -43.306 1.605 1.00 72.20 C ATOM 1934 C ASN A 125 -3.139 -44.066 0.391 1.00 71.23 C ATOM 1935 O ASN A 125 -2.463 -45.087 0.533 1.00 34.51 O ATOM 1936 CB ASN A 125 -5.067 -43.832 1.979 1.00 65.54 C ATOM 1937 CG ASN A 125 -5.145 -45.352 2.010 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -4.874 -45.981 3.031 1.00 32.44 O ATOM 1939 ND2 ASN A 125 -5.526 -45.953 0.886 1.00 44.23 N ATOM 0 H ASN A 125 -4.669 -41.478 1.354 1.00 31.14 H new ATOM 0 HA ASN A 125 -2.985 -43.472 2.437 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -5.346 -43.440 2.957 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -5.795 -43.451 1.263 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -5.601 -46.970 0.852 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -5.743 -45.397 0.059 1.00 44.23 H new ATOM 1946 N ASN A 126 -3.453 -43.577 -0.807 1.00 24.21 N ATOM 1947 CA ASN A 126 -3.053 -44.264 -2.035 1.00 34.20 C ATOM 1948 C ASN A 126 -1.745 -43.712 -2.599 1.00 61.32 C ATOM 1949 O ASN A 126 -1.078 -44.388 -3.385 1.00 63.21 O ATOM 1950 CB ASN A 126 -4.171 -44.215 -3.088 1.00 71.20 C ATOM 1951 CG ASN A 126 -5.331 -45.142 -2.740 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -5.294 -46.337 -3.034 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -6.376 -44.600 -2.129 1.00 41.12 N ATOM 0 H ASN A 126 -3.979 -42.715 -0.954 1.00 24.21 H new ATOM 0 HA ASN A 126 -2.878 -45.308 -1.775 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -4.539 -43.193 -3.177 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -3.765 -44.494 -4.060 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -7.182 -45.177 -1.888 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -6.374 -43.606 -1.900 1.00 41.12 H new ATOM 1960 N ILE A 127 -1.377 -42.489 -2.215 1.00 24.11 N ATOM 1961 CA ILE A 127 -0.065 -41.952 -2.579 1.00 45.52 C ATOM 1962 C ILE A 127 1.029 -42.664 -1.788 1.00 24.03 C ATOM 1963 O ILE A 127 1.931 -43.278 -2.362 1.00 24.55 O ATOM 1964 CB ILE A 127 0.058 -40.425 -2.319 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -0.924 -39.635 -3.196 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.493 -39.949 -2.564 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.904 -38.144 -2.921 1.00 54.51 C ATOM 0 H ILE A 127 -1.958 -41.860 -1.661 1.00 24.11 H new ATOM 0 HA ILE A 127 0.050 -42.123 -3.649 1.00 45.52 H new ATOM 0 HB ILE A 127 -0.196 -40.242 -1.275 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.684 -39.808 -4.245 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -1.933 -40.014 -3.033 1.00 53.10 H new ATOM 0 HG21 ILE A 127 1.558 -38.877 -2.377 1.00 51.22 H new ATOM 0 HG22 ILE A 127 2.171 -40.476 -1.893 1.00 51.22 H new ATOM 0 HG23 ILE A 127 1.773 -40.154 -3.597 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.620 -37.644 -3.573 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -1.173 -37.962 -1.880 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.095 -37.752 -3.111 1.00 54.51 H new ATOM 1979 N ASN A 128 0.932 -42.579 -0.463 1.00 64.33 N ATOM 1980 CA ASN A 128 1.949 -43.124 0.429 1.00 71.43 C ATOM 1981 C ASN A 128 1.494 -44.468 0.990 1.00 23.15 C ATOM 1982 O ASN A 128 1.779 -45.502 0.351 1.00 65.33 O ATOM 1983 CB ASN A 128 2.251 -42.135 1.570 1.00 24.12 C ATOM 1984 CG ASN A 128 2.983 -40.893 1.089 1.00 23.51 C ATOM 1985 OD1 ASN A 128 4.214 -40.873 1.033 1.00 5.34 O ATOM 1986 ND2 ASN A 128 2.243 -39.847 0.753 1.00 22.35 N ATOM 1987 OXT ASN A 128 0.847 -44.488 2.062 1.00 0.00 O1- ATOM 0 H ASN A 128 0.151 -42.133 0.019 1.00 64.33 H new ATOM 0 HA ASN A 128 2.865 -43.279 -0.141 1.00 71.43 H new ATOM 0 HB2 ASN A 128 1.316 -41.840 2.047 1.00 24.12 H new ATOM 0 HB3 ASN A 128 2.852 -42.635 2.330 1.00 24.12 H new ATOM 0 HD21 ASN A 128 2.690 -38.987 0.435 1.00 22.35 H new ATOM 0 HD22 ASN A 128 1.226 -39.901 0.812 1.00 22.35 H new