USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 726 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: B 74 ASN : amide:sc= 0.323 X(o=0.18,f=-0.15) USER MOD Set 1.2: B 77 THR OG1 : rot -160:sc= -0.147 USER MOD Single : B 9 MET CE :methyl 154:sc= -0.234 (180deg=-1.13) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 163:sc= 2.18 (180deg=1.62) USER MOD Single : B 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 SER OG : rot 79:sc= 1.01 USER MOD Single : B 18 MET CE :methyl -159:sc= 0 (180deg=-0.937) USER MOD Single : B 19 THR OG1 : rot -92:sc= -0.895! USER MOD Single : B 28 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.2) USER MOD Single : B 32 GLN : amide:sc= -1.5 K(o=-1.5,f=-2.1!) USER MOD Single : B 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0476) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 LYS NZ :NH3+ 163:sc= -0.0913 (180deg=-0.417) USER MOD Single : B 45 MET CE :methyl -173:sc= -1.58 (180deg=-1.62!) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 TYR OH : rot -119:sc= -0.737 USER MOD Single : B 49 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.1) USER MOD Single : B 52 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot -29:sc= -2.46! USER MOD Single : B 58 THR OG1 : rot 160:sc= -1.51! USER MOD Single : B 59 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0155) USER MOD Single : B 60 LYS NZ :NH3+ -139:sc= -0.0534 (180deg=-0.361) USER MOD Single : B 62 GLN : amide:sc= -2.42! C(o=-2.4!,f=-2.9!) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 69 MET CE :methyl 156:sc= -2.41 (180deg=-4.87!) USER MOD Single : B 72 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0.848) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 80 THR OG1 : rot 75:sc= 0.62 USER MOD Single : B 84 SER OG : rot 72:sc= 0.471 USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 96 LYS NZ :NH3+ -166:sc= -0.0565 (180deg=-0.216) USER MOD Single : B 97 HIS : no HD1:sc= -3.37! K(o=-3.4!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 334 N GLU B 8 13.992 -0.549 1.711 1.00 0.00 N ATOM 335 CA GLU B 8 12.548 -0.574 1.719 1.00 0.00 C ATOM 336 C GLU B 8 12.016 0.011 0.416 1.00 0.00 C ATOM 337 O GLU B 8 12.785 0.323 -0.495 1.00 0.00 O ATOM 338 CB GLU B 8 12.013 0.211 2.921 1.00 0.00 C ATOM 339 CG GLU B 8 12.339 1.691 2.882 1.00 0.00 C ATOM 340 CD GLU B 8 13.797 1.998 3.184 1.00 0.00 C ATOM 341 OE1 GLU B 8 14.617 2.004 2.242 1.00 0.00 O ATOM 342 OE2 GLU B 8 14.135 2.233 4.363 1.00 0.00 O1- ATOM 0 HA GLU B 8 12.207 -1.606 1.805 1.00 0.00 H new ATOM 0 HB2 GLU B 8 10.931 0.088 2.970 1.00 0.00 H new ATOM 0 HB3 GLU B 8 12.424 -0.218 3.835 1.00 0.00 H new ATOM 0 HG2 GLU B 8 12.090 2.084 1.896 1.00 0.00 H new ATOM 0 HG3 GLU B 8 11.709 2.213 3.602 1.00 0.00 H new ATOM 349 N MET B 9 10.709 0.161 0.333 1.00 0.00 N ATOM 350 CA MET B 9 10.078 0.684 -0.866 1.00 0.00 C ATOM 351 C MET B 9 9.728 2.143 -0.667 1.00 0.00 C ATOM 352 O MET B 9 9.245 2.531 0.395 1.00 0.00 O ATOM 353 CB MET B 9 8.821 -0.123 -1.199 1.00 0.00 C ATOM 354 CG MET B 9 7.876 -0.295 -0.023 1.00 0.00 C ATOM 355 SD MET B 9 6.543 -1.461 -0.370 1.00 0.00 S ATOM 356 CE MET B 9 7.474 -2.961 -0.675 1.00 0.00 C ATOM 0 H MET B 9 10.060 -0.073 1.084 1.00 0.00 H new ATOM 0 HA MET B 9 10.775 0.598 -1.700 1.00 0.00 H new ATOM 0 HB2 MET B 9 8.289 0.370 -2.012 1.00 0.00 H new ATOM 0 HB3 MET B 9 9.117 -1.107 -1.562 1.00 0.00 H new ATOM 0 HG2 MET B 9 8.439 -0.640 0.844 1.00 0.00 H new ATOM 0 HG3 MET B 9 7.448 0.673 0.240 1.00 0.00 H new ATOM 0 HE1 MET B 9 6.852 -3.827 -0.450 1.00 0.00 H new ATOM 0 HE2 MET B 9 7.777 -2.994 -1.721 1.00 0.00 H new ATOM 0 HE3 MET B 9 8.360 -2.975 -0.040 1.00 0.00 H new ATOM 366 N THR B 10 9.994 2.956 -1.672 1.00 0.00 N ATOM 367 CA THR B 10 9.696 4.372 -1.590 1.00 0.00 C ATOM 368 C THR B 10 8.198 4.603 -1.527 1.00 0.00 C ATOM 369 O THR B 10 7.425 3.726 -1.914 1.00 0.00 O ATOM 370 CB THR B 10 10.279 5.149 -2.783 1.00 0.00 C ATOM 371 OG1 THR B 10 9.839 4.558 -4.013 1.00 0.00 O ATOM 372 CG2 THR B 10 11.798 5.164 -2.734 1.00 0.00 C ATOM 0 H THR B 10 10.415 2.660 -2.553 1.00 0.00 H new ATOM 0 HA THR B 10 10.162 4.741 -0.676 1.00 0.00 H new ATOM 0 HB THR B 10 9.923 6.178 -2.726 1.00 0.00 H new ATOM 0 HG1 THR B 10 10.212 5.058 -4.768 1.00 0.00 H new ATOM 0 HG21 THR B 10 12.184 5.720 -3.589 1.00 0.00 H new ATOM 0 HG22 THR B 10 12.128 5.642 -1.811 1.00 0.00 H new ATOM 0 HG23 THR B 10 12.173 4.141 -2.767 1.00 0.00 H new ATOM 380 N LYS B 11 7.788 5.766 -1.045 1.00 0.00 N ATOM 381 CA LYS B 11 6.369 6.080 -0.919 1.00 0.00 C ATOM 382 C LYS B 11 5.635 5.848 -2.241 1.00 0.00 C ATOM 383 O LYS B 11 4.512 5.346 -2.259 1.00 0.00 O ATOM 384 CB LYS B 11 6.194 7.526 -0.440 1.00 0.00 C ATOM 385 CG LYS B 11 6.823 8.563 -1.360 1.00 0.00 C ATOM 386 CD LYS B 11 6.924 9.926 -0.692 1.00 0.00 C ATOM 387 CE LYS B 11 5.566 10.446 -0.253 1.00 0.00 C ATOM 388 NZ LYS B 11 5.670 11.767 0.417 1.00 0.00 N1+ ATOM 0 H LYS B 11 8.415 6.508 -0.734 1.00 0.00 H new ATOM 0 HA LYS B 11 5.930 5.412 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.130 7.739 -0.343 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.631 7.624 0.554 1.00 0.00 H new ATOM 0 HG2 LYS B 11 7.817 8.230 -1.657 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.230 8.648 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS B 11 7.583 9.858 0.173 1.00 0.00 H new ATOM 0 HD3 LYS B 11 7.378 10.636 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.911 10.529 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS B 11 5.105 9.729 0.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.733 12.218 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 6.019 11.637 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 6.331 12.373 -0.110 1.00 0.00 H new ATOM 402 N ASP B 12 6.303 6.159 -3.346 1.00 0.00 N ATOM 403 CA ASP B 12 5.703 6.038 -4.667 1.00 0.00 C ATOM 404 C ASP B 12 5.567 4.577 -5.069 1.00 0.00 C ATOM 405 O ASP B 12 4.496 4.138 -5.497 1.00 0.00 O ATOM 406 CB ASP B 12 6.547 6.786 -5.699 1.00 0.00 C ATOM 407 CG ASP B 12 6.013 6.632 -7.107 1.00 0.00 C ATOM 408 OD1 ASP B 12 6.543 5.792 -7.862 1.00 0.00 O ATOM 409 OD2 ASP B 12 5.066 7.357 -7.473 1.00 0.00 O1- ATOM 0 H ASP B 12 7.265 6.498 -3.351 1.00 0.00 H new ATOM 0 HA ASP B 12 4.707 6.480 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.578 7.844 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP B 12 7.572 6.418 -5.661 1.00 0.00 H new ATOM 414 N ALA B 13 6.649 3.823 -4.909 1.00 0.00 N ATOM 415 CA ALA B 13 6.667 2.415 -5.275 1.00 0.00 C ATOM 416 C ALA B 13 5.737 1.620 -4.375 1.00 0.00 C ATOM 417 O ALA B 13 5.098 0.656 -4.810 1.00 0.00 O ATOM 418 CB ALA B 13 8.081 1.873 -5.187 1.00 0.00 C ATOM 0 H ALA B 13 7.529 4.168 -4.526 1.00 0.00 H new ATOM 0 HA ALA B 13 6.317 2.316 -6.302 1.00 0.00 H new ATOM 0 HB1 ALA B 13 8.084 0.818 -5.463 1.00 0.00 H new ATOM 0 HB2 ALA B 13 8.726 2.428 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA B 13 8.450 1.982 -4.167 1.00 0.00 H new ATOM 424 N TRP B 14 5.666 2.033 -3.118 1.00 0.00 N ATOM 425 CA TRP B 14 4.760 1.426 -2.167 1.00 0.00 C ATOM 426 C TRP B 14 3.326 1.634 -2.616 1.00 0.00 C ATOM 427 O TRP B 14 2.578 0.676 -2.757 1.00 0.00 O ATOM 428 CB TRP B 14 4.976 2.015 -0.774 1.00 0.00 C ATOM 429 CG TRP B 14 4.032 1.475 0.258 1.00 0.00 C ATOM 430 CD1 TRP B 14 4.101 0.261 0.873 1.00 0.00 C ATOM 431 CD2 TRP B 14 2.880 2.133 0.800 1.00 0.00 C ATOM 432 NE1 TRP B 14 3.066 0.120 1.761 1.00 0.00 N ATOM 433 CE2 TRP B 14 2.303 1.254 1.738 1.00 0.00 C ATOM 434 CE3 TRP B 14 2.278 3.375 0.586 1.00 0.00 C ATOM 435 CZ2 TRP B 14 1.161 1.579 2.459 1.00 0.00 C ATOM 436 CZ3 TRP B 14 1.143 3.696 1.304 1.00 0.00 C ATOM 437 CH2 TRP B 14 0.597 2.801 2.231 1.00 0.00 C ATOM 0 H TRP B 14 6.231 2.791 -2.736 1.00 0.00 H new ATOM 0 HA TRP B 14 4.962 0.356 -2.120 1.00 0.00 H new ATOM 0 HB2 TRP B 14 6.000 1.814 -0.458 1.00 0.00 H new ATOM 0 HB3 TRP B 14 4.865 3.098 -0.825 1.00 0.00 H new ATOM 0 HD1 TRP B 14 4.862 -0.483 0.688 1.00 0.00 H new ATOM 0 HE1 TRP B 14 2.893 -0.699 2.344 1.00 0.00 H new ATOM 0 HE3 TRP B 14 2.693 4.071 -0.128 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 0.735 0.890 3.174 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 0.669 4.654 1.148 1.00 0.00 H new ATOM 0 HH2 TRP B 14 -0.290 3.083 2.778 1.00 0.00 H new ATOM 448 N LEU B 15 2.957 2.886 -2.873 1.00 0.00 N ATOM 449 CA LEU B 15 1.618 3.208 -3.356 1.00 0.00 C ATOM 450 C LEU B 15 1.306 2.425 -4.623 1.00 0.00 C ATOM 451 O LEU B 15 0.228 1.852 -4.759 1.00 0.00 O ATOM 452 CB LEU B 15 1.498 4.704 -3.652 1.00 0.00 C ATOM 453 CG LEU B 15 1.553 5.625 -2.438 1.00 0.00 C ATOM 454 CD1 LEU B 15 1.700 7.071 -2.880 1.00 0.00 C ATOM 455 CD2 LEU B 15 0.308 5.450 -1.582 1.00 0.00 C ATOM 0 H LEU B 15 3.567 3.695 -2.755 1.00 0.00 H new ATOM 0 HA LEU B 15 0.907 2.936 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU B 15 2.299 4.986 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.557 4.878 -4.175 1.00 0.00 H new ATOM 0 HG LEU B 15 2.422 5.358 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.738 7.717 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.619 7.184 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU B 15 0.848 7.350 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.363 6.114 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.576 5.693 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.244 4.417 -1.240 1.00 0.00 H new ATOM 467 N ASN B 16 2.271 2.393 -5.535 1.00 0.00 N ATOM 468 CA ASN B 16 2.114 1.711 -6.816 1.00 0.00 C ATOM 469 C ASN B 16 1.797 0.231 -6.621 1.00 0.00 C ATOM 470 O ASN B 16 0.981 -0.342 -7.341 1.00 0.00 O ATOM 471 CB ASN B 16 3.390 1.871 -7.650 1.00 0.00 C ATOM 472 CG ASN B 16 3.318 1.151 -8.984 1.00 0.00 C ATOM 473 OD1 ASN B 16 2.813 1.693 -9.967 1.00 0.00 O ATOM 474 ND2 ASN B 16 3.850 -0.060 -9.035 1.00 0.00 N ATOM 0 H ASN B 16 3.181 2.837 -5.409 1.00 0.00 H new ATOM 0 HA ASN B 16 1.276 2.167 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN B 16 3.573 2.931 -7.825 1.00 0.00 H new ATOM 0 HB3 ASN B 16 4.239 1.490 -7.083 1.00 0.00 H new ATOM 0 HD21 ASN B 16 3.851 -0.580 -9.913 1.00 0.00 H new ATOM 0 HD22 ASN B 16 4.259 -0.473 -8.197 1.00 0.00 H new ATOM 481 N SER B 17 2.427 -0.372 -5.630 1.00 0.00 N ATOM 482 CA SER B 17 2.263 -1.794 -5.370 1.00 0.00 C ATOM 483 C SER B 17 1.082 -2.054 -4.429 1.00 0.00 C ATOM 484 O SER B 17 0.437 -3.100 -4.498 1.00 0.00 O ATOM 485 CB SER B 17 3.555 -2.338 -4.759 1.00 0.00 C ATOM 486 OG SER B 17 4.676 -2.011 -5.567 1.00 0.00 O ATOM 0 H SER B 17 3.061 0.102 -4.987 1.00 0.00 H new ATOM 0 HA SER B 17 2.053 -2.303 -6.311 1.00 0.00 H new ATOM 0 HB2 SER B 17 3.690 -1.926 -3.759 1.00 0.00 H new ATOM 0 HB3 SER B 17 3.483 -3.420 -4.651 1.00 0.00 H new ATOM 0 HG SER B 17 4.938 -1.081 -5.402 1.00 0.00 H new ATOM 492 N MET B 18 0.790 -1.077 -3.582 1.00 0.00 N ATOM 493 CA MET B 18 -0.189 -1.237 -2.512 1.00 0.00 C ATOM 494 C MET B 18 -1.607 -0.961 -2.997 1.00 0.00 C ATOM 495 O MET B 18 -2.548 -1.643 -2.591 1.00 0.00 O ATOM 496 CB MET B 18 0.146 -0.287 -1.363 1.00 0.00 C ATOM 497 CG MET B 18 -0.719 -0.473 -0.132 1.00 0.00 C ATOM 498 SD MET B 18 -0.404 -2.044 0.697 1.00 0.00 S ATOM 499 CE MET B 18 -1.591 -1.970 2.035 1.00 0.00 C ATOM 0 H MET B 18 1.222 -0.154 -3.615 1.00 0.00 H new ATOM 0 HA MET B 18 -0.143 -2.272 -2.172 1.00 0.00 H new ATOM 0 HB2 MET B 18 1.190 -0.426 -1.084 1.00 0.00 H new ATOM 0 HB3 MET B 18 0.044 0.740 -1.714 1.00 0.00 H new ATOM 0 HG2 MET B 18 -0.536 0.345 0.564 1.00 0.00 H new ATOM 0 HG3 MET B 18 -1.770 -0.420 -0.418 1.00 0.00 H new ATOM 0 HE1 MET B 18 -1.286 -2.650 2.830 1.00 0.00 H new ATOM 0 HE2 MET B 18 -1.637 -0.953 2.425 1.00 0.00 H new ATOM 0 HE3 MET B 18 -2.574 -2.261 1.666 1.00 0.00 H new ATOM 509 N THR B 19 -1.751 0.036 -3.865 1.00 0.00 N ATOM 510 CA THR B 19 -3.067 0.472 -4.331 1.00 0.00 C ATOM 511 C THR B 19 -3.956 -0.679 -4.824 1.00 0.00 C ATOM 512 O THR B 19 -5.100 -0.789 -4.387 1.00 0.00 O ATOM 513 CB THR B 19 -2.966 1.555 -5.426 1.00 0.00 C ATOM 514 OG1 THR B 19 -1.847 1.304 -6.287 1.00 0.00 O ATOM 515 CG2 THR B 19 -2.832 2.936 -4.810 1.00 0.00 C ATOM 0 H THR B 19 -0.971 0.560 -4.262 1.00 0.00 H new ATOM 0 HA THR B 19 -3.545 0.900 -3.450 1.00 0.00 H new ATOM 0 HB THR B 19 -3.883 1.517 -6.014 1.00 0.00 H new ATOM 0 HG1 THR B 19 -1.061 1.783 -5.950 1.00 0.00 H new ATOM 0 HG21 THR B 19 -2.762 3.682 -5.601 1.00 0.00 H new ATOM 0 HG22 THR B 19 -3.704 3.144 -4.190 1.00 0.00 H new ATOM 0 HG23 THR B 19 -1.933 2.974 -4.195 1.00 0.00 H new ATOM 523 N PRO B 20 -3.469 -1.572 -5.712 1.00 0.00 N ATOM 524 CA PRO B 20 -4.303 -2.638 -6.261 1.00 0.00 C ATOM 525 C PRO B 20 -4.454 -3.829 -5.315 1.00 0.00 C ATOM 526 O PRO B 20 -5.230 -4.747 -5.583 1.00 0.00 O ATOM 527 CB PRO B 20 -3.554 -3.026 -7.527 1.00 0.00 C ATOM 528 CG PRO B 20 -2.121 -2.801 -7.192 1.00 0.00 C ATOM 529 CD PRO B 20 -2.096 -1.620 -6.262 1.00 0.00 C ATOM 0 HA PRO B 20 -5.329 -2.314 -6.434 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -3.741 -4.066 -7.797 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -3.864 -2.416 -8.375 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -1.688 -3.681 -6.717 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -1.536 -2.603 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -1.354 -1.748 -5.474 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -1.845 -0.700 -6.790 1.00 0.00 H new ATOM 537 N LEU B 21 -3.730 -3.802 -4.202 1.00 0.00 N ATOM 538 CA LEU B 21 -3.852 -4.843 -3.186 1.00 0.00 C ATOM 539 C LEU B 21 -4.954 -4.483 -2.201 1.00 0.00 C ATOM 540 O LEU B 21 -5.451 -5.331 -1.462 1.00 0.00 O ATOM 541 CB LEU B 21 -2.532 -5.028 -2.433 1.00 0.00 C ATOM 542 CG LEU B 21 -1.380 -5.610 -3.255 1.00 0.00 C ATOM 543 CD1 LEU B 21 -0.112 -5.666 -2.418 1.00 0.00 C ATOM 544 CD2 LEU B 21 -1.739 -6.996 -3.772 1.00 0.00 C ATOM 0 H LEU B 21 -3.053 -3.072 -3.980 1.00 0.00 H new ATOM 0 HA LEU B 21 -4.102 -5.779 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -2.221 -4.061 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -2.710 -5.680 -1.578 1.00 0.00 H new ATOM 0 HG LEU B 21 -1.203 -4.960 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU B 21 0.700 -6.082 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU B 21 0.155 -4.660 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -0.280 -6.296 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -0.908 -7.394 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -1.941 -7.657 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -2.625 -6.931 -4.403 1.00 0.00 H new ATOM 556 N LEU B 22 -5.337 -3.215 -2.212 1.00 0.00 N ATOM 557 CA LEU B 22 -6.351 -2.717 -1.300 1.00 0.00 C ATOM 558 C LEU B 22 -7.740 -3.278 -1.636 1.00 0.00 C ATOM 559 O LEU B 22 -8.408 -3.797 -0.747 1.00 0.00 O ATOM 560 CB LEU B 22 -6.347 -1.184 -1.289 1.00 0.00 C ATOM 561 CG LEU B 22 -5.034 -0.558 -0.808 1.00 0.00 C ATOM 562 CD1 LEU B 22 -5.006 0.930 -1.104 1.00 0.00 C ATOM 563 CD2 LEU B 22 -4.841 -0.807 0.680 1.00 0.00 C ATOM 0 H LEU B 22 -4.958 -2.511 -2.846 1.00 0.00 H new ATOM 0 HA LEU B 22 -6.108 -3.065 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.559 -0.825 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.158 -0.835 -0.649 1.00 0.00 H new ATOM 0 HG LEU B 22 -4.213 -1.029 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.064 1.353 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.098 1.089 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -5.836 1.418 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -3.904 -0.356 1.006 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.669 -0.364 1.233 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -4.812 -1.880 0.869 1.00 0.00 H new ATOM 575 N PRO B 23 -8.193 -3.216 -2.916 1.00 0.00 N ATOM 576 CA PRO B 23 -9.492 -3.775 -3.321 1.00 0.00 C ATOM 577 C PRO B 23 -9.701 -5.204 -2.834 1.00 0.00 C ATOM 578 O PRO B 23 -10.814 -5.597 -2.472 1.00 0.00 O ATOM 579 CB PRO B 23 -9.419 -3.746 -4.846 1.00 0.00 C ATOM 580 CG PRO B 23 -8.528 -2.605 -5.152 1.00 0.00 C ATOM 581 CD PRO B 23 -7.499 -2.592 -4.063 1.00 0.00 C ATOM 0 HA PRO B 23 -10.323 -3.211 -2.898 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -9.019 -4.679 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -10.406 -3.609 -5.288 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -8.062 -2.723 -6.130 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -9.085 -1.668 -5.176 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.609 -3.154 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -7.175 -1.578 -3.831 1.00 0.00 H new ATOM 589 N ASP B 24 -8.614 -5.960 -2.822 1.00 0.00 N ATOM 590 CA ASP B 24 -8.625 -7.348 -2.385 1.00 0.00 C ATOM 591 C ASP B 24 -9.034 -7.445 -0.916 1.00 0.00 C ATOM 592 O ASP B 24 -9.999 -8.126 -0.570 1.00 0.00 O ATOM 593 CB ASP B 24 -7.230 -7.945 -2.594 1.00 0.00 C ATOM 594 CG ASP B 24 -7.117 -9.403 -2.188 1.00 0.00 C ATOM 595 OD1 ASP B 24 -7.088 -9.694 -0.974 1.00 0.00 O ATOM 596 OD2 ASP B 24 -7.004 -10.267 -3.086 1.00 0.00 O1- ATOM 0 H ASP B 24 -7.696 -5.627 -3.116 1.00 0.00 H new ATOM 0 HA ASP B 24 -9.353 -7.908 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -6.958 -7.849 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -6.507 -7.362 -2.023 1.00 0.00 H new ATOM 601 N LEU B 25 -8.319 -6.717 -0.068 1.00 0.00 N ATOM 602 CA LEU B 25 -8.528 -6.785 1.372 1.00 0.00 C ATOM 603 C LEU B 25 -9.822 -6.084 1.781 1.00 0.00 C ATOM 604 O LEU B 25 -10.516 -6.528 2.700 1.00 0.00 O ATOM 605 CB LEU B 25 -7.344 -6.151 2.103 1.00 0.00 C ATOM 606 CG LEU B 25 -5.978 -6.780 1.810 1.00 0.00 C ATOM 607 CD1 LEU B 25 -4.875 -6.008 2.515 1.00 0.00 C ATOM 608 CD2 LEU B 25 -5.957 -8.242 2.234 1.00 0.00 C ATOM 0 H LEU B 25 -7.585 -6.069 -0.355 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.609 -7.836 1.649 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.302 -5.094 1.842 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.529 -6.207 3.176 1.00 0.00 H new ATOM 0 HG LEU B 25 -5.803 -6.732 0.735 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -3.912 -6.468 2.296 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.872 -4.976 2.164 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.049 -6.025 3.591 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -4.978 -8.670 2.017 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.156 -8.314 3.303 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -6.722 -8.791 1.685 1.00 0.00 H new ATOM 620 N ILE B 26 -10.142 -4.994 1.091 1.00 0.00 N ATOM 621 CA ILE B 26 -11.317 -4.195 1.422 1.00 0.00 C ATOM 622 C ILE B 26 -12.601 -5.003 1.278 1.00 0.00 C ATOM 623 O ILE B 26 -13.391 -5.085 2.216 1.00 0.00 O ATOM 624 CB ILE B 26 -11.409 -2.922 0.548 1.00 0.00 C ATOM 625 CG1 ILE B 26 -10.188 -2.028 0.776 1.00 0.00 C ATOM 626 CG2 ILE B 26 -12.692 -2.154 0.840 1.00 0.00 C ATOM 627 CD1 ILE B 26 -10.010 -1.587 2.214 1.00 0.00 C ATOM 0 H ILE B 26 -9.604 -4.643 0.299 1.00 0.00 H new ATOM 0 HA ILE B 26 -11.203 -3.895 2.464 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.427 -3.228 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.294 -2.563 0.457 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -10.274 -1.145 0.143 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.733 -1.263 0.213 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.552 -2.788 0.627 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.709 -1.860 1.890 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -9.124 -0.957 2.294 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -10.886 -1.023 2.533 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -9.891 -2.463 2.851 1.00 0.00 H new ATOM 639 N CYS B 27 -12.796 -5.620 0.116 1.00 0.00 N ATOM 640 CA CYS B 27 -14.031 -6.353 -0.147 1.00 0.00 C ATOM 641 C CYS B 27 -14.192 -7.508 0.834 1.00 0.00 C ATOM 642 O CYS B 27 -15.291 -7.773 1.321 1.00 0.00 O ATOM 643 CB CYS B 27 -14.064 -6.890 -1.577 1.00 0.00 C ATOM 644 SG CYS B 27 -15.692 -7.536 -2.080 1.00 0.00 S ATOM 0 H CYS B 27 -12.123 -5.628 -0.651 1.00 0.00 H new ATOM 0 HA CYS B 27 -14.858 -5.654 -0.018 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -13.772 -6.094 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -13.322 -7.683 -1.675 1.00 0.00 H new ATOM 649 N LYS B 28 -13.085 -8.178 1.137 1.00 0.00 N ATOM 650 CA LYS B 28 -13.102 -9.304 2.058 1.00 0.00 C ATOM 651 C LYS B 28 -13.581 -8.871 3.438 1.00 0.00 C ATOM 652 O LYS B 28 -14.282 -9.614 4.115 1.00 0.00 O ATOM 653 CB LYS B 28 -11.714 -9.931 2.156 1.00 0.00 C ATOM 654 CG LYS B 28 -11.266 -10.606 0.873 1.00 0.00 C ATOM 655 CD LYS B 28 -9.839 -11.109 0.982 1.00 0.00 C ATOM 656 CE LYS B 28 -9.408 -11.827 -0.285 1.00 0.00 C ATOM 657 NZ LYS B 28 -7.947 -12.089 -0.308 1.00 0.00 N1+ ATOM 0 H LYS B 28 -12.164 -7.959 0.756 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.799 -10.048 1.671 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.993 -9.159 2.423 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.710 -10.663 2.964 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.931 -11.440 0.647 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.343 -9.903 0.044 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.169 -10.270 1.173 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.754 -11.785 1.833 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.947 -12.771 -0.367 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.682 -11.227 -1.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.721 -12.724 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.435 -11.191 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.660 -12.536 0.586 1.00 0.00 H new ATOM 671 N GLY B 29 -13.219 -7.656 3.832 1.00 0.00 N ATOM 672 CA GLY B 29 -13.622 -7.135 5.124 1.00 0.00 C ATOM 673 C GLY B 29 -15.129 -7.049 5.272 1.00 0.00 C ATOM 674 O GLY B 29 -15.666 -7.291 6.352 1.00 0.00 O ATOM 0 H GLY B 29 -12.650 -7.019 3.275 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -13.219 -7.772 5.911 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -13.189 -6.144 5.263 1.00 0.00 H new ATOM 678 N PHE B 30 -15.811 -6.724 4.178 1.00 0.00 N ATOM 679 CA PHE B 30 -17.265 -6.596 4.189 1.00 0.00 C ATOM 680 C PHE B 30 -17.939 -7.961 4.079 1.00 0.00 C ATOM 681 O PHE B 30 -19.097 -8.122 4.454 1.00 0.00 O ATOM 682 CB PHE B 30 -17.737 -5.693 3.045 1.00 0.00 C ATOM 683 CG PHE B 30 -17.301 -4.261 3.177 1.00 0.00 C ATOM 684 CD1 PHE B 30 -16.144 -3.816 2.561 1.00 0.00 C ATOM 685 CD2 PHE B 30 -18.048 -3.359 3.916 1.00 0.00 C ATOM 686 CE1 PHE B 30 -15.740 -2.500 2.680 1.00 0.00 C ATOM 687 CE2 PHE B 30 -17.650 -2.042 4.039 1.00 0.00 C ATOM 688 CZ PHE B 30 -16.494 -1.613 3.420 1.00 0.00 C ATOM 0 H PHE B 30 -15.380 -6.544 3.271 1.00 0.00 H new ATOM 0 HA PHE B 30 -17.548 -6.144 5.140 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -17.361 -6.091 2.103 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -18.825 -5.728 2.994 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -15.550 -4.506 1.980 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -18.954 -3.690 4.403 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -14.835 -2.166 2.194 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -18.242 -1.350 4.619 1.00 0.00 H new ATOM 0 HZ PHE B 30 -16.180 -0.584 3.515 1.00 0.00 H new ATOM 698 N ILE B 31 -17.212 -8.940 3.561 1.00 0.00 N ATOM 699 CA ILE B 31 -17.758 -10.281 3.384 1.00 0.00 C ATOM 700 C ILE B 31 -17.536 -11.130 4.633 1.00 0.00 C ATOM 701 O ILE B 31 -18.425 -11.864 5.066 1.00 0.00 O ATOM 702 CB ILE B 31 -17.126 -10.988 2.163 1.00 0.00 C ATOM 703 CG1 ILE B 31 -17.331 -10.148 0.899 1.00 0.00 C ATOM 704 CG2 ILE B 31 -17.725 -12.377 1.980 1.00 0.00 C ATOM 705 CD1 ILE B 31 -16.670 -10.727 -0.333 1.00 0.00 C ATOM 0 H ILE B 31 -16.245 -8.833 3.256 1.00 0.00 H new ATOM 0 HA ILE B 31 -18.829 -10.172 3.211 1.00 0.00 H new ATOM 0 HB ILE B 31 -16.056 -11.096 2.341 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -18.400 -10.045 0.712 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -16.940 -9.146 1.073 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -17.268 -12.859 1.116 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -17.536 -12.975 2.871 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -18.800 -12.292 1.821 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -16.859 -10.077 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.595 -10.804 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -17.078 -11.718 -0.533 1.00 0.00 H new ATOM 717 N GLN B 32 -16.345 -11.017 5.208 1.00 0.00 N ATOM 718 CA GLN B 32 -15.974 -11.781 6.394 1.00 0.00 C ATOM 719 C GLN B 32 -16.749 -11.319 7.625 1.00 0.00 C ATOM 720 O GLN B 32 -16.951 -12.085 8.569 1.00 0.00 O ATOM 721 CB GLN B 32 -14.471 -11.657 6.640 1.00 0.00 C ATOM 722 CG GLN B 32 -13.628 -12.266 5.529 1.00 0.00 C ATOM 723 CD GLN B 32 -12.133 -12.090 5.739 1.00 0.00 C ATOM 724 OE1 GLN B 32 -11.364 -12.048 4.779 1.00 0.00 O ATOM 725 NE2 GLN B 32 -11.708 -11.972 6.987 1.00 0.00 N ATOM 0 H GLN B 32 -15.611 -10.396 4.867 1.00 0.00 H new ATOM 0 HA GLN B 32 -16.229 -12.826 6.216 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -14.213 -10.603 6.747 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -14.223 -12.143 7.583 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -13.854 -13.330 5.453 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -13.910 -11.812 4.579 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -12.374 -12.012 7.758 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.714 -11.841 7.177 1.00 0.00 H new ATOM 734 N ASP B 33 -17.180 -10.067 7.609 1.00 0.00 N ATOM 735 CA ASP B 33 -17.923 -9.501 8.730 1.00 0.00 C ATOM 736 C ASP B 33 -19.426 -9.630 8.497 1.00 0.00 C ATOM 737 O ASP B 33 -19.955 -9.099 7.525 1.00 0.00 O ATOM 738 CB ASP B 33 -17.569 -8.027 8.922 1.00 0.00 C ATOM 739 CG ASP B 33 -18.184 -7.458 10.180 1.00 0.00 C ATOM 740 OD1 ASP B 33 -17.609 -7.651 11.270 1.00 0.00 O ATOM 741 OD2 ASP B 33 -19.241 -6.814 10.087 1.00 0.00 O1- ATOM 0 H ASP B 33 -17.029 -9.422 6.833 1.00 0.00 H new ATOM 0 HA ASP B 33 -17.648 -10.056 9.627 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -16.485 -7.917 8.966 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -17.913 -7.456 8.060 1.00 0.00 H new ATOM 746 N PRO B 34 -20.132 -10.341 9.396 1.00 0.00 N ATOM 747 CA PRO B 34 -21.581 -10.560 9.281 1.00 0.00 C ATOM 748 C PRO B 34 -22.377 -9.260 9.316 1.00 0.00 C ATOM 749 O PRO B 34 -23.401 -9.135 8.645 1.00 0.00 O ATOM 750 CB PRO B 34 -21.924 -11.414 10.505 1.00 0.00 C ATOM 751 CG PRO B 34 -20.630 -11.999 10.949 1.00 0.00 C ATOM 752 CD PRO B 34 -19.575 -10.998 10.588 1.00 0.00 C ATOM 0 HA PRO B 34 -21.834 -11.029 8.330 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -22.374 -10.810 11.293 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -22.642 -12.194 10.252 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -20.636 -12.189 12.022 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -20.445 -12.954 10.458 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -19.401 -10.287 11.396 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -18.620 -11.478 10.374 1.00 0.00 H new ATOM 760 N ASP B 35 -21.900 -8.300 10.102 1.00 0.00 N ATOM 761 CA ASP B 35 -22.554 -6.998 10.220 1.00 0.00 C ATOM 762 C ASP B 35 -22.468 -6.235 8.908 1.00 0.00 C ATOM 763 O ASP B 35 -23.439 -5.623 8.463 1.00 0.00 O ATOM 764 CB ASP B 35 -21.908 -6.160 11.327 1.00 0.00 C ATOM 765 CG ASP B 35 -22.262 -6.623 12.722 1.00 0.00 C ATOM 766 OD1 ASP B 35 -23.061 -5.936 13.391 1.00 0.00 O ATOM 767 OD2 ASP B 35 -21.734 -7.665 13.165 1.00 0.00 O1- ATOM 0 H ASP B 35 -21.059 -8.399 10.670 1.00 0.00 H new ATOM 0 HA ASP B 35 -23.600 -7.177 10.470 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -20.825 -6.189 11.208 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -22.214 -5.120 11.210 1.00 0.00 H new ATOM 772 N LEU B 36 -21.298 -6.276 8.298 1.00 0.00 N ATOM 773 CA LEU B 36 -21.061 -5.577 7.046 1.00 0.00 C ATOM 774 C LEU B 36 -21.688 -6.322 5.876 1.00 0.00 C ATOM 775 O LEU B 36 -22.172 -5.706 4.921 1.00 0.00 O ATOM 776 CB LEU B 36 -19.557 -5.401 6.807 1.00 0.00 C ATOM 777 CG LEU B 36 -18.822 -4.545 7.839 1.00 0.00 C ATOM 778 CD1 LEU B 36 -17.357 -4.392 7.458 1.00 0.00 C ATOM 779 CD2 LEU B 36 -19.479 -3.180 7.979 1.00 0.00 C ATOM 0 H LEU B 36 -20.491 -6.790 8.651 1.00 0.00 H new ATOM 0 HA LEU B 36 -21.527 -4.594 7.118 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -19.093 -6.387 6.782 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -19.413 -4.956 5.823 1.00 0.00 H new ATOM 0 HG LEU B 36 -18.880 -5.051 8.802 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -16.849 -3.780 8.203 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -16.888 -5.375 7.415 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -17.283 -3.911 6.482 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -18.938 -2.590 8.719 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -19.458 -2.666 7.018 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -20.513 -3.305 8.300 1.00 0.00 H new ATOM 791 N LYS B 37 -21.693 -7.646 5.965 1.00 0.00 N ATOM 792 CA LYS B 37 -22.253 -8.483 4.912 1.00 0.00 C ATOM 793 C LYS B 37 -23.731 -8.182 4.718 1.00 0.00 C ATOM 794 O LYS B 37 -24.283 -8.402 3.641 1.00 0.00 O ATOM 795 CB LYS B 37 -22.053 -9.969 5.240 1.00 0.00 C ATOM 796 CG LYS B 37 -22.543 -10.911 4.148 1.00 0.00 C ATOM 797 CD LYS B 37 -21.763 -10.720 2.855 1.00 0.00 C ATOM 798 CE LYS B 37 -22.359 -11.523 1.710 1.00 0.00 C ATOM 799 NZ LYS B 37 -22.357 -12.982 1.986 1.00 0.00 N1+ ATOM 0 H LYS B 37 -21.314 -8.164 6.758 1.00 0.00 H new ATOM 0 HA LYS B 37 -21.728 -8.258 3.984 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -20.993 -10.153 5.417 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -22.576 -10.200 6.168 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -22.444 -11.943 4.485 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -23.603 -10.736 3.964 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -21.752 -9.663 2.590 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -20.727 -11.021 3.008 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -23.381 -11.191 1.529 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -21.794 -11.327 0.799 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -22.677 -13.496 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -21.394 -13.287 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -22.999 -13.186 2.779 1.00 0.00 H new ATOM 813 N LYS B 38 -24.359 -7.661 5.763 1.00 0.00 N ATOM 814 CA LYS B 38 -25.758 -7.275 5.702 1.00 0.00 C ATOM 815 C LYS B 38 -25.996 -6.300 4.559 1.00 0.00 C ATOM 816 O LYS B 38 -26.843 -6.532 3.700 1.00 0.00 O ATOM 817 CB LYS B 38 -26.188 -6.642 7.021 1.00 0.00 C ATOM 818 CG LYS B 38 -25.994 -7.556 8.211 1.00 0.00 C ATOM 819 CD LYS B 38 -26.804 -7.093 9.405 1.00 0.00 C ATOM 820 CE LYS B 38 -26.720 -8.087 10.551 1.00 0.00 C ATOM 821 NZ LYS B 38 -27.649 -7.733 11.652 1.00 0.00 N1+ ATOM 0 H LYS B 38 -23.917 -7.496 6.667 1.00 0.00 H new ATOM 0 HA LYS B 38 -26.353 -8.171 5.526 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -25.620 -5.725 7.179 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -27.239 -6.359 6.956 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -26.287 -8.571 7.943 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -24.938 -7.589 8.477 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -26.441 -6.120 9.738 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -27.845 -6.961 9.111 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -26.954 -9.086 10.184 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -25.699 -8.118 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -27.564 -8.433 12.416 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -27.410 -6.790 12.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -28.625 -7.728 11.294 1.00 0.00 H new ATOM 835 N ARG B 39 -25.203 -5.238 4.524 1.00 0.00 N ATOM 836 CA ARG B 39 -25.379 -4.192 3.530 1.00 0.00 C ATOM 837 C ARG B 39 -24.815 -4.644 2.191 1.00 0.00 C ATOM 838 O ARG B 39 -25.326 -4.287 1.127 1.00 0.00 O ATOM 839 CB ARG B 39 -24.697 -2.901 3.989 1.00 0.00 C ATOM 840 CG ARG B 39 -24.856 -1.744 3.016 1.00 0.00 C ATOM 841 CD ARG B 39 -26.320 -1.434 2.742 1.00 0.00 C ATOM 842 NE ARG B 39 -27.032 -1.003 3.939 1.00 0.00 N ATOM 843 CZ ARG B 39 -28.313 -0.647 3.950 1.00 0.00 C ATOM 844 NH1 ARG B 39 -29.032 -0.692 2.833 1.00 0.00 N1+ ATOM 845 NH2 ARG B 39 -28.878 -0.249 5.082 1.00 0.00 N ATOM 0 H ARG B 39 -24.432 -5.079 5.173 1.00 0.00 H new ATOM 0 HA ARG B 39 -26.445 -3.995 3.412 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -25.106 -2.609 4.956 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -23.635 -3.095 4.138 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -24.366 -0.858 3.421 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -24.354 -1.985 2.079 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -26.387 -0.655 1.983 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -26.806 -2.320 2.333 1.00 0.00 H new ATOM 0 HE ARG B 39 -26.517 -0.973 4.819 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -28.601 -1.001 1.961 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -30.014 -0.418 2.847 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -28.330 -0.216 5.942 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -29.861 0.025 5.093 1.00 0.00 H new ATOM 859 N PHE B 40 -23.767 -5.450 2.261 1.00 0.00 N ATOM 860 CA PHE B 40 -23.129 -6.001 1.077 1.00 0.00 C ATOM 861 C PHE B 40 -24.125 -6.856 0.293 1.00 0.00 C ATOM 862 O PHE B 40 -24.145 -6.844 -0.940 1.00 0.00 O ATOM 863 CB PHE B 40 -21.918 -6.831 1.505 1.00 0.00 C ATOM 864 CG PHE B 40 -21.000 -7.213 0.381 1.00 0.00 C ATOM 865 CD1 PHE B 40 -20.164 -6.270 -0.192 1.00 0.00 C ATOM 866 CD2 PHE B 40 -20.961 -8.514 -0.091 1.00 0.00 C ATOM 867 CE1 PHE B 40 -19.309 -6.618 -1.217 1.00 0.00 C ATOM 868 CE2 PHE B 40 -20.108 -8.868 -1.117 1.00 0.00 C ATOM 869 CZ PHE B 40 -19.280 -7.919 -1.680 1.00 0.00 C ATOM 0 H PHE B 40 -23.336 -5.740 3.139 1.00 0.00 H new ATOM 0 HA PHE B 40 -22.795 -5.193 0.426 1.00 0.00 H new ATOM 0 HB2 PHE B 40 -21.351 -6.268 2.246 1.00 0.00 H new ATOM 0 HB3 PHE B 40 -22.270 -7.739 1.995 1.00 0.00 H new ATOM 0 HD1 PHE B 40 -20.181 -5.252 0.167 1.00 0.00 H new ATOM 0 HD2 PHE B 40 -21.606 -9.261 0.349 1.00 0.00 H new ATOM 0 HE1 PHE B 40 -18.662 -5.873 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE B 40 -20.089 -9.886 -1.478 1.00 0.00 H new ATOM 0 HZ PHE B 40 -18.610 -8.193 -2.482 1.00 0.00 H new ATOM 879 N ASP B 41 -24.970 -7.576 1.025 1.00 0.00 N ATOM 880 CA ASP B 41 -25.983 -8.429 0.415 1.00 0.00 C ATOM 881 C ASP B 41 -27.188 -7.612 -0.046 1.00 0.00 C ATOM 882 O ASP B 41 -27.831 -7.954 -1.038 1.00 0.00 O ATOM 883 CB ASP B 41 -26.431 -9.511 1.397 1.00 0.00 C ATOM 884 CG ASP B 41 -27.479 -10.431 0.803 1.00 0.00 C ATOM 885 OD1 ASP B 41 -27.120 -11.287 -0.031 1.00 0.00 O ATOM 886 OD2 ASP B 41 -28.665 -10.311 1.177 1.00 0.00 O1- ATOM 0 H ASP B 41 -24.972 -7.585 2.045 1.00 0.00 H new ATOM 0 HA ASP B 41 -25.537 -8.903 -0.459 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -25.567 -10.100 1.704 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -26.831 -9.040 2.295 1.00 0.00 H new ATOM 891 N GLU B 42 -27.490 -6.528 0.668 1.00 0.00 N ATOM 892 CA GLU B 42 -28.600 -5.648 0.300 1.00 0.00 C ATOM 893 C GLU B 42 -28.412 -5.095 -1.107 1.00 0.00 C ATOM 894 O GLU B 42 -29.365 -4.979 -1.880 1.00 0.00 O ATOM 895 CB GLU B 42 -28.714 -4.484 1.283 1.00 0.00 C ATOM 896 CG GLU B 42 -29.105 -4.892 2.692 1.00 0.00 C ATOM 897 CD GLU B 42 -30.513 -5.445 2.780 1.00 0.00 C ATOM 898 OE1 GLU B 42 -30.712 -6.639 2.477 1.00 0.00 O ATOM 899 OE2 GLU B 42 -31.426 -4.687 3.174 1.00 0.00 O1- ATOM 0 H GLU B 42 -26.982 -6.238 1.504 1.00 0.00 H new ATOM 0 HA GLU B 42 -29.514 -6.241 0.333 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -27.759 -3.961 1.321 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -29.451 -3.775 0.905 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -28.403 -5.642 3.055 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -29.018 -4.029 3.352 1.00 0.00 H new ATOM 906 N ILE B 43 -27.175 -4.752 -1.431 1.00 0.00 N ATOM 907 CA ILE B 43 -26.849 -4.210 -2.742 1.00 0.00 C ATOM 908 C ILE B 43 -26.551 -5.351 -3.717 1.00 0.00 C ATOM 909 O ILE B 43 -26.382 -5.148 -4.920 1.00 0.00 O ATOM 910 CB ILE B 43 -25.636 -3.251 -2.657 1.00 0.00 C ATOM 911 CG1 ILE B 43 -25.827 -2.252 -1.510 1.00 0.00 C ATOM 912 CG2 ILE B 43 -25.424 -2.501 -3.967 1.00 0.00 C ATOM 913 CD1 ILE B 43 -27.091 -1.422 -1.620 1.00 0.00 C ATOM 0 H ILE B 43 -26.377 -4.840 -0.802 1.00 0.00 H new ATOM 0 HA ILE B 43 -27.707 -3.643 -3.104 1.00 0.00 H new ATOM 0 HB ILE B 43 -24.750 -3.856 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -25.843 -2.797 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -24.967 -1.583 -1.477 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -24.565 -1.837 -3.871 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -25.243 -3.215 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -26.313 -1.913 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -27.154 -0.740 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -27.070 -0.848 -2.546 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -27.960 -2.080 -1.621 1.00 0.00 H new ATOM 925 N LYS B 44 -26.522 -6.562 -3.155 1.00 0.00 N ATOM 926 CA LYS B 44 -26.207 -7.785 -3.889 1.00 0.00 C ATOM 927 C LYS B 44 -24.887 -7.628 -4.634 1.00 0.00 C ATOM 928 O LYS B 44 -24.756 -8.004 -5.798 1.00 0.00 O ATOM 929 CB LYS B 44 -27.343 -8.161 -4.851 1.00 0.00 C ATOM 930 CG LYS B 44 -27.232 -9.576 -5.406 1.00 0.00 C ATOM 931 CD LYS B 44 -27.315 -10.619 -4.301 1.00 0.00 C ATOM 932 CE LYS B 44 -27.021 -12.017 -4.822 1.00 0.00 C ATOM 933 NZ LYS B 44 -25.641 -12.128 -5.364 1.00 0.00 N1+ ATOM 0 H LYS B 44 -26.719 -6.720 -2.167 1.00 0.00 H new ATOM 0 HA LYS B 44 -26.102 -8.599 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -28.296 -8.057 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -27.353 -7.454 -5.681 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -28.029 -9.747 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -26.288 -9.685 -5.940 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -26.607 -10.369 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -28.310 -10.599 -3.856 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -27.154 -12.740 -4.017 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -27.739 -12.272 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -25.378 -13.131 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -25.601 -11.687 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -24.978 -11.643 -4.726 1.00 0.00 H new ATOM 947 N MET B 45 -23.907 -7.072 -3.941 1.00 0.00 N ATOM 948 CA MET B 45 -22.611 -6.797 -4.536 1.00 0.00 C ATOM 949 C MET B 45 -21.723 -8.031 -4.444 1.00 0.00 C ATOM 950 O MET B 45 -21.920 -8.879 -3.573 1.00 0.00 O ATOM 951 CB MET B 45 -21.960 -5.606 -3.831 1.00 0.00 C ATOM 952 CG MET B 45 -20.714 -5.089 -4.529 1.00 0.00 C ATOM 953 SD MET B 45 -20.054 -3.600 -3.760 1.00 0.00 S ATOM 954 CE MET B 45 -21.482 -2.524 -3.827 1.00 0.00 C ATOM 0 H MET B 45 -23.986 -6.801 -2.961 1.00 0.00 H new ATOM 0 HA MET B 45 -22.743 -6.547 -5.589 1.00 0.00 H new ATOM 0 HB2 MET B 45 -22.687 -4.797 -3.758 1.00 0.00 H new ATOM 0 HB3 MET B 45 -21.701 -5.895 -2.812 1.00 0.00 H new ATOM 0 HG2 MET B 45 -19.950 -5.866 -4.522 1.00 0.00 H new ATOM 0 HG3 MET B 45 -20.947 -4.881 -5.573 1.00 0.00 H new ATOM 0 HE1 MET B 45 -21.199 -1.523 -3.502 1.00 0.00 H new ATOM 0 HE2 MET B 45 -21.858 -2.481 -4.849 1.00 0.00 H new ATOM 0 HE3 MET B 45 -22.261 -2.912 -3.170 1.00 0.00 H new ATOM 964 N THR B 46 -20.775 -8.145 -5.359 1.00 0.00 N ATOM 965 CA THR B 46 -19.864 -9.273 -5.369 1.00 0.00 C ATOM 966 C THR B 46 -18.418 -8.808 -5.222 1.00 0.00 C ATOM 967 O THR B 46 -18.127 -7.621 -5.403 1.00 0.00 O ATOM 968 CB THR B 46 -20.016 -10.087 -6.667 1.00 0.00 C ATOM 969 OG1 THR B 46 -19.799 -9.241 -7.804 1.00 0.00 O ATOM 970 CG2 THR B 46 -21.400 -10.713 -6.755 1.00 0.00 C ATOM 0 H THR B 46 -20.618 -7.468 -6.105 1.00 0.00 H new ATOM 0 HA THR B 46 -20.117 -9.908 -4.520 1.00 0.00 H new ATOM 0 HB THR B 46 -19.273 -10.884 -6.658 1.00 0.00 H new ATOM 0 HG1 THR B 46 -19.896 -9.766 -8.626 1.00 0.00 H new ATOM 0 HG21 THR B 46 -21.483 -11.283 -7.680 1.00 0.00 H new ATOM 0 HG22 THR B 46 -21.554 -11.377 -5.905 1.00 0.00 H new ATOM 0 HG23 THR B 46 -22.156 -9.928 -6.743 1.00 0.00 H new ATOM 978 N TYR B 47 -17.517 -9.729 -4.906 1.00 0.00 N ATOM 979 CA TYR B 47 -16.102 -9.399 -4.727 1.00 0.00 C ATOM 980 C TYR B 47 -15.531 -8.742 -5.984 1.00 0.00 C ATOM 981 O TYR B 47 -14.841 -7.718 -5.908 1.00 0.00 O ATOM 982 CB TYR B 47 -15.310 -10.668 -4.384 1.00 0.00 C ATOM 983 CG TYR B 47 -13.815 -10.457 -4.295 1.00 0.00 C ATOM 984 CD1 TYR B 47 -13.000 -10.691 -5.395 1.00 0.00 C ATOM 985 CD2 TYR B 47 -13.219 -10.019 -3.118 1.00 0.00 C ATOM 986 CE1 TYR B 47 -11.637 -10.495 -5.328 1.00 0.00 C ATOM 987 CE2 TYR B 47 -11.853 -9.822 -3.043 1.00 0.00 C ATOM 988 CZ TYR B 47 -11.068 -10.061 -4.153 1.00 0.00 C ATOM 989 OH TYR B 47 -9.711 -9.861 -4.090 1.00 0.00 O ATOM 0 H TYR B 47 -17.738 -10.715 -4.767 1.00 0.00 H new ATOM 0 HA TYR B 47 -16.014 -8.689 -3.905 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -15.668 -11.061 -3.432 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -15.515 -11.427 -5.139 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -13.442 -11.033 -6.319 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -13.832 -9.830 -2.249 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -11.019 -10.681 -6.194 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -11.403 -9.483 -2.122 1.00 0.00 H new ATOM 0 HH TYR B 47 -9.324 -10.453 -3.411 1.00 0.00 H new ATOM 999 N GLU B 48 -15.841 -9.327 -7.137 1.00 0.00 N ATOM 1000 CA GLU B 48 -15.351 -8.822 -8.415 1.00 0.00 C ATOM 1001 C GLU B 48 -15.892 -7.426 -8.703 1.00 0.00 C ATOM 1002 O GLU B 48 -15.299 -6.664 -9.467 1.00 0.00 O ATOM 1003 CB GLU B 48 -15.740 -9.773 -9.544 1.00 0.00 C ATOM 1004 CG GLU B 48 -15.133 -11.157 -9.405 1.00 0.00 C ATOM 1005 CD GLU B 48 -15.585 -12.096 -10.497 1.00 0.00 C ATOM 1006 OE1 GLU B 48 -14.858 -12.232 -11.501 1.00 0.00 O ATOM 1007 OE2 GLU B 48 -16.669 -12.697 -10.363 1.00 0.00 O1- ATOM 0 H GLU B 48 -16.432 -10.155 -7.212 1.00 0.00 H new ATOM 0 HA GLU B 48 -14.264 -8.761 -8.355 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -16.826 -9.863 -9.575 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -15.428 -9.342 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -14.046 -11.078 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -15.405 -11.574 -8.435 1.00 0.00 H new ATOM 1014 N GLN B 49 -17.016 -7.092 -8.090 1.00 0.00 N ATOM 1015 CA GLN B 49 -17.600 -5.773 -8.251 1.00 0.00 C ATOM 1016 C GLN B 49 -16.814 -4.756 -7.431 1.00 0.00 C ATOM 1017 O GLN B 49 -16.501 -3.671 -7.906 1.00 0.00 O ATOM 1018 CB GLN B 49 -19.063 -5.775 -7.812 1.00 0.00 C ATOM 1019 CG GLN B 49 -19.823 -4.530 -8.236 1.00 0.00 C ATOM 1020 CD GLN B 49 -19.961 -4.430 -9.740 1.00 0.00 C ATOM 1021 OE1 GLN B 49 -20.008 -5.444 -10.437 1.00 0.00 O ATOM 1022 NE2 GLN B 49 -20.021 -3.215 -10.252 1.00 0.00 N ATOM 0 H GLN B 49 -17.541 -7.716 -7.477 1.00 0.00 H new ATOM 0 HA GLN B 49 -17.555 -5.499 -9.305 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -19.558 -6.653 -8.228 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -19.109 -5.867 -6.727 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -20.814 -4.539 -7.782 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.308 -3.646 -7.860 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -19.979 -2.401 -9.639 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -20.110 -3.090 -11.260 1.00 0.00 H new ATOM 1031 N CYS B 50 -16.489 -5.130 -6.203 1.00 0.00 N ATOM 1032 CA CYS B 50 -15.735 -4.266 -5.305 1.00 0.00 C ATOM 1033 C CYS B 50 -14.432 -3.806 -5.946 1.00 0.00 C ATOM 1034 O CYS B 50 -14.110 -2.622 -5.934 1.00 0.00 O ATOM 1035 CB CYS B 50 -15.399 -4.998 -4.010 1.00 0.00 C ATOM 1036 SG CYS B 50 -16.802 -5.848 -3.219 1.00 0.00 S ATOM 0 H CYS B 50 -16.738 -6.034 -5.802 1.00 0.00 H new ATOM 0 HA CYS B 50 -16.362 -3.400 -5.094 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -14.619 -5.731 -4.217 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -14.983 -4.281 -3.303 1.00 0.00 H new ATOM 1041 N VAL B 51 -13.695 -4.744 -6.530 1.00 0.00 N ATOM 1042 CA VAL B 51 -12.357 -4.454 -7.028 1.00 0.00 C ATOM 1043 C VAL B 51 -12.367 -3.538 -8.246 1.00 0.00 C ATOM 1044 O VAL B 51 -11.326 -3.025 -8.638 1.00 0.00 O ATOM 1045 CB VAL B 51 -11.559 -5.735 -7.351 1.00 0.00 C ATOM 1046 CG1 VAL B 51 -11.270 -6.519 -6.080 1.00 0.00 C ATOM 1047 CG2 VAL B 51 -12.295 -6.599 -8.361 1.00 0.00 C ATOM 0 H VAL B 51 -14.000 -5.707 -6.670 1.00 0.00 H new ATOM 0 HA VAL B 51 -11.858 -3.930 -6.213 1.00 0.00 H new ATOM 0 HB VAL B 51 -10.609 -5.438 -7.796 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -10.707 -7.419 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -10.686 -5.902 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -12.210 -6.799 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -11.709 -7.494 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -13.265 -6.886 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -12.439 -6.037 -9.284 1.00 0.00 H new ATOM 1057 N THR B 52 -13.527 -3.339 -8.854 1.00 0.00 N ATOM 1058 CA THR B 52 -13.638 -2.391 -9.951 1.00 0.00 C ATOM 1059 C THR B 52 -14.045 -1.009 -9.422 1.00 0.00 C ATOM 1060 O THR B 52 -13.945 -0.001 -10.127 1.00 0.00 O ATOM 1061 CB THR B 52 -14.633 -2.883 -11.034 1.00 0.00 C ATOM 1062 OG1 THR B 52 -14.363 -2.239 -12.287 1.00 0.00 O ATOM 1063 CG2 THR B 52 -16.078 -2.615 -10.645 1.00 0.00 C ATOM 0 H THR B 52 -14.395 -3.815 -8.610 1.00 0.00 H new ATOM 0 HA THR B 52 -12.659 -2.310 -10.423 1.00 0.00 H new ATOM 0 HB THR B 52 -14.495 -3.960 -11.126 1.00 0.00 H new ATOM 0 HG1 THR B 52 -14.997 -2.559 -12.963 1.00 0.00 H new ATOM 0 HG21 THR B 52 -16.740 -2.976 -11.432 1.00 0.00 H new ATOM 0 HG22 THR B 52 -16.306 -3.133 -9.714 1.00 0.00 H new ATOM 0 HG23 THR B 52 -16.226 -1.544 -10.510 1.00 0.00 H new ATOM 1071 N LEU B 53 -14.490 -0.972 -8.165 1.00 0.00 N ATOM 1072 CA LEU B 53 -14.953 0.268 -7.545 1.00 0.00 C ATOM 1073 C LEU B 53 -13.878 0.862 -6.640 1.00 0.00 C ATOM 1074 O LEU B 53 -13.675 2.074 -6.610 1.00 0.00 O ATOM 1075 CB LEU B 53 -16.216 0.007 -6.724 1.00 0.00 C ATOM 1076 CG LEU B 53 -17.306 -0.785 -7.443 1.00 0.00 C ATOM 1077 CD1 LEU B 53 -18.512 -0.968 -6.540 1.00 0.00 C ATOM 1078 CD2 LEU B 53 -17.710 -0.105 -8.739 1.00 0.00 C ATOM 0 H LEU B 53 -14.539 -1.789 -7.556 1.00 0.00 H new ATOM 0 HA LEU B 53 -15.173 0.979 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU B 53 -15.937 -0.530 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU B 53 -16.631 0.965 -6.411 1.00 0.00 H new ATOM 0 HG LEU B 53 -16.903 -1.767 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU B 53 -19.279 -1.534 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU B 53 -18.215 -1.509 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU B 53 -18.909 0.008 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU B 53 -18.487 -0.690 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU B 53 -18.090 0.894 -8.523 1.00 0.00 H new ATOM 0 HD23 LEU B 53 -16.843 -0.029 -9.396 1.00 0.00 H new ATOM 1090 N ILE B 54 -13.194 -0.010 -5.906 1.00 0.00 N ATOM 1091 CA ILE B 54 -12.163 0.399 -4.949 1.00 0.00 C ATOM 1092 C ILE B 54 -11.063 1.281 -5.577 1.00 0.00 C ATOM 1093 O ILE B 54 -10.627 2.243 -4.941 1.00 0.00 O ATOM 1094 CB ILE B 54 -11.517 -0.825 -4.258 1.00 0.00 C ATOM 1095 CG1 ILE B 54 -12.579 -1.644 -3.521 1.00 0.00 C ATOM 1096 CG2 ILE B 54 -10.432 -0.380 -3.290 1.00 0.00 C ATOM 1097 CD1 ILE B 54 -13.287 -0.875 -2.435 1.00 0.00 C ATOM 0 H ILE B 54 -13.336 -1.019 -5.955 1.00 0.00 H new ATOM 0 HA ILE B 54 -12.680 1.004 -4.205 1.00 0.00 H new ATOM 0 HB ILE B 54 -11.062 -1.452 -5.025 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -13.315 -2.001 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -12.108 -2.524 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -9.989 -1.254 -2.813 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -9.661 0.167 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -10.867 0.267 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -14.025 -1.518 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -12.561 -0.541 -1.694 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -13.787 -0.009 -2.869 1.00 0.00 H new ATOM 1109 N PRO B 55 -10.583 0.970 -6.811 1.00 0.00 N ATOM 1110 CA PRO B 55 -9.594 1.801 -7.529 1.00 0.00 C ATOM 1111 C PRO B 55 -9.923 3.299 -7.541 1.00 0.00 C ATOM 1112 O PRO B 55 -9.050 4.129 -7.801 1.00 0.00 O ATOM 1113 CB PRO B 55 -9.638 1.241 -8.947 1.00 0.00 C ATOM 1114 CG PRO B 55 -9.976 -0.192 -8.760 1.00 0.00 C ATOM 1115 CD PRO B 55 -10.915 -0.242 -7.587 1.00 0.00 C ATOM 0 HA PRO B 55 -8.618 1.750 -7.046 1.00 0.00 H new ATOM 0 HB2 PRO B 55 -10.386 1.751 -9.554 1.00 0.00 H new ATOM 0 HB3 PRO B 55 -8.680 1.362 -9.453 1.00 0.00 H new ATOM 0 HG2 PRO B 55 -10.445 -0.603 -9.654 1.00 0.00 H new ATOM 0 HG3 PRO B 55 -9.080 -0.783 -8.569 1.00 0.00 H new ATOM 0 HD2 PRO B 55 -11.956 -0.237 -7.909 1.00 0.00 H new ATOM 0 HD3 PRO B 55 -10.768 -1.146 -6.997 1.00 0.00 H new ATOM 1123 N GLU B 56 -11.173 3.645 -7.280 1.00 0.00 N ATOM 1124 CA GLU B 56 -11.555 5.044 -7.170 1.00 0.00 C ATOM 1125 C GLU B 56 -10.983 5.644 -5.889 1.00 0.00 C ATOM 1126 O GLU B 56 -10.301 6.670 -5.915 1.00 0.00 O ATOM 1127 CB GLU B 56 -13.077 5.199 -7.176 1.00 0.00 C ATOM 1128 CG GLU B 56 -13.745 4.712 -8.450 1.00 0.00 C ATOM 1129 CD GLU B 56 -13.154 5.337 -9.696 1.00 0.00 C ATOM 1130 OE1 GLU B 56 -12.638 4.585 -10.553 1.00 0.00 O ATOM 1131 OE2 GLU B 56 -13.191 6.579 -9.820 1.00 0.00 O1- ATOM 0 H GLU B 56 -11.936 2.982 -7.141 1.00 0.00 H new ATOM 0 HA GLU B 56 -11.150 5.574 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -13.491 4.651 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -13.325 6.250 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -13.651 3.628 -8.513 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -14.810 4.938 -8.406 1.00 0.00 H new ATOM 1138 N SER B 57 -11.230 4.971 -4.775 1.00 0.00 N ATOM 1139 CA SER B 57 -10.825 5.476 -3.474 1.00 0.00 C ATOM 1140 C SER B 57 -9.331 5.277 -3.251 1.00 0.00 C ATOM 1141 O SER B 57 -8.709 6.041 -2.515 1.00 0.00 O ATOM 1142 CB SER B 57 -11.613 4.790 -2.358 1.00 0.00 C ATOM 1143 OG SER B 57 -11.376 5.406 -1.105 1.00 0.00 O ATOM 0 H SER B 57 -11.710 4.072 -4.747 1.00 0.00 H new ATOM 0 HA SER B 57 -11.040 6.544 -3.452 1.00 0.00 H new ATOM 0 HB2 SER B 57 -12.678 4.826 -2.587 1.00 0.00 H new ATOM 0 HB3 SER B 57 -11.333 3.738 -2.307 1.00 0.00 H new ATOM 0 HG SER B 57 -10.477 5.796 -1.097 1.00 0.00 H new ATOM 1149 N THR B 58 -8.754 4.259 -3.882 1.00 0.00 N ATOM 1150 CA THR B 58 -7.324 3.996 -3.748 1.00 0.00 C ATOM 1151 C THR B 58 -6.516 5.226 -4.144 1.00 0.00 C ATOM 1152 O THR B 58 -5.597 5.636 -3.438 1.00 0.00 O ATOM 1153 CB THR B 58 -6.869 2.802 -4.613 1.00 0.00 C ATOM 1154 OG1 THR B 58 -7.244 3.013 -5.975 1.00 0.00 O ATOM 1155 CG2 THR B 58 -7.476 1.499 -4.126 1.00 0.00 C ATOM 0 H THR B 58 -9.251 3.606 -4.488 1.00 0.00 H new ATOM 0 HA THR B 58 -7.147 3.751 -2.701 1.00 0.00 H new ATOM 0 HB THR B 58 -5.784 2.731 -4.531 1.00 0.00 H new ATOM 0 HG1 THR B 58 -6.697 2.445 -6.557 1.00 0.00 H new ATOM 0 HG21 THR B 58 -7.134 0.680 -4.758 1.00 0.00 H new ATOM 0 HG22 THR B 58 -7.168 1.316 -3.097 1.00 0.00 H new ATOM 0 HG23 THR B 58 -8.563 1.564 -4.173 1.00 0.00 H new ATOM 1163 N LYS B 59 -6.891 5.822 -5.269 1.00 0.00 N ATOM 1164 CA LYS B 59 -6.200 6.991 -5.786 1.00 0.00 C ATOM 1165 C LYS B 59 -6.485 8.209 -4.908 1.00 0.00 C ATOM 1166 O LYS B 59 -5.606 9.041 -4.674 1.00 0.00 O ATOM 1167 CB LYS B 59 -6.643 7.258 -7.226 1.00 0.00 C ATOM 1168 CG LYS B 59 -5.679 8.125 -8.021 1.00 0.00 C ATOM 1169 CD LYS B 59 -4.340 7.427 -8.213 1.00 0.00 C ATOM 1170 CE LYS B 59 -3.440 8.187 -9.176 1.00 0.00 C ATOM 1171 NZ LYS B 59 -3.081 9.536 -8.664 1.00 0.00 N1+ ATOM 0 H LYS B 59 -7.675 5.511 -5.842 1.00 0.00 H new ATOM 0 HA LYS B 59 -5.126 6.803 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -6.766 6.305 -7.740 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -7.620 7.740 -7.211 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -6.113 8.358 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -5.527 9.073 -7.504 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -3.840 7.328 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -4.507 6.418 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -2.530 7.613 -9.350 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -3.943 8.287 -10.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -2.414 9.990 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -3.940 10.118 -8.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -2.638 9.445 -7.727 1.00 0.00 H new ATOM 1185 N LYS B 60 -7.718 8.289 -4.415 1.00 0.00 N ATOM 1186 CA LYS B 60 -8.132 9.371 -3.528 1.00 0.00 C ATOM 1187 C LYS B 60 -7.341 9.336 -2.226 1.00 0.00 C ATOM 1188 O LYS B 60 -6.686 10.309 -1.858 1.00 0.00 O ATOM 1189 CB LYS B 60 -9.631 9.259 -3.224 1.00 0.00 C ATOM 1190 CG LYS B 60 -10.101 10.192 -2.117 1.00 0.00 C ATOM 1191 CD LYS B 60 -11.586 10.029 -1.832 1.00 0.00 C ATOM 1192 CE LYS B 60 -12.435 10.449 -3.020 1.00 0.00 C ATOM 1193 NZ LYS B 60 -12.154 11.847 -3.440 1.00 0.00 N1+ ATOM 0 H LYS B 60 -8.453 7.611 -4.617 1.00 0.00 H new ATOM 0 HA LYS B 60 -7.935 10.318 -4.031 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -10.194 9.474 -4.132 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -9.860 8.231 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -9.533 9.993 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -9.897 11.224 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -11.797 8.989 -1.583 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -11.857 10.626 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -12.247 9.775 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -13.490 10.353 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -13.047 12.325 -3.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -11.685 12.355 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -11.533 11.841 -4.274 1.00 0.00 H new ATOM 1207 N CYS B 61 -7.398 8.201 -1.546 1.00 0.00 N ATOM 1208 CA CYS B 61 -6.730 8.033 -0.266 1.00 0.00 C ATOM 1209 C CYS B 61 -5.217 8.125 -0.429 1.00 0.00 C ATOM 1210 O CYS B 61 -4.502 8.500 0.503 1.00 0.00 O ATOM 1211 CB CYS B 61 -7.142 6.697 0.345 1.00 0.00 C ATOM 1212 SG CYS B 61 -8.944 6.537 0.556 1.00 0.00 S ATOM 0 H CYS B 61 -7.906 7.375 -1.864 1.00 0.00 H new ATOM 0 HA CYS B 61 -7.031 8.835 0.407 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -6.783 5.887 -0.290 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -6.657 6.582 1.314 1.00 0.00 H new ATOM 1217 N GLN B 62 -4.739 7.788 -1.620 1.00 0.00 N ATOM 1218 CA GLN B 62 -3.338 7.966 -1.962 1.00 0.00 C ATOM 1219 C GLN B 62 -2.968 9.438 -1.839 1.00 0.00 C ATOM 1220 O GLN B 62 -2.057 9.796 -1.100 1.00 0.00 O ATOM 1221 CB GLN B 62 -3.084 7.450 -3.387 1.00 0.00 C ATOM 1222 CG GLN B 62 -1.644 7.586 -3.866 1.00 0.00 C ATOM 1223 CD GLN B 62 -1.327 8.934 -4.498 1.00 0.00 C ATOM 1224 OE1 GLN B 62 -0.195 9.412 -4.424 1.00 0.00 O ATOM 1225 NE2 GLN B 62 -2.314 9.552 -5.135 1.00 0.00 N ATOM 0 H GLN B 62 -5.306 7.388 -2.367 1.00 0.00 H new ATOM 0 HA GLN B 62 -2.713 7.395 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -3.371 6.400 -3.435 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -3.734 7.990 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -0.974 7.426 -3.021 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -1.437 6.799 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -3.240 9.126 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -2.147 10.453 -5.583 1.00 0.00 H new ATOM 1234 N ASP B 63 -3.719 10.282 -2.538 1.00 0.00 N ATOM 1235 CA ASP B 63 -3.482 11.725 -2.543 1.00 0.00 C ATOM 1236 C ASP B 63 -3.580 12.299 -1.133 1.00 0.00 C ATOM 1237 O ASP B 63 -2.867 13.241 -0.779 1.00 0.00 O ATOM 1238 CB ASP B 63 -4.499 12.413 -3.458 1.00 0.00 C ATOM 1239 CG ASP B 63 -4.249 13.901 -3.618 1.00 0.00 C ATOM 1240 OD1 ASP B 63 -4.800 14.698 -2.826 1.00 0.00 O ATOM 1241 OD2 ASP B 63 -3.513 14.283 -4.554 1.00 0.00 O1- ATOM 0 H ASP B 63 -4.507 9.989 -3.116 1.00 0.00 H new ATOM 0 HA ASP B 63 -2.474 11.907 -2.917 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -4.474 11.939 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.501 12.261 -3.056 1.00 0.00 H new ATOM 1246 N GLU B 64 -4.461 11.712 -0.335 1.00 0.00 N ATOM 1247 CA GLU B 64 -4.676 12.145 1.038 1.00 0.00 C ATOM 1248 C GLU B 64 -3.405 12.036 1.864 1.00 0.00 C ATOM 1249 O GLU B 64 -2.927 13.016 2.440 1.00 0.00 O ATOM 1250 CB GLU B 64 -5.763 11.291 1.693 1.00 0.00 C ATOM 1251 CG GLU B 64 -7.146 11.501 1.100 1.00 0.00 C ATOM 1252 CD GLU B 64 -7.573 12.955 1.126 1.00 0.00 C ATOM 1253 OE1 GLU B 64 -8.086 13.414 2.166 1.00 0.00 O ATOM 1254 OE2 GLU B 64 -7.388 13.650 0.108 1.00 0.00 O1- ATOM 0 H GLU B 64 -5.045 10.925 -0.620 1.00 0.00 H new ATOM 0 HA GLU B 64 -4.984 13.190 1.006 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.493 10.239 1.598 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -5.797 11.516 2.759 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.155 11.141 0.071 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -7.870 10.903 1.653 1.00 0.00 H new ATOM 1261 N LEU B 65 -2.871 10.834 1.909 1.00 0.00 N ATOM 1262 CA LEU B 65 -1.780 10.502 2.808 1.00 0.00 C ATOM 1263 C LEU B 65 -0.412 10.750 2.174 1.00 0.00 C ATOM 1264 O LEU B 65 0.560 10.985 2.884 1.00 0.00 O ATOM 1265 CB LEU B 65 -1.928 9.050 3.242 1.00 0.00 C ATOM 1266 CG LEU B 65 -3.319 8.704 3.780 1.00 0.00 C ATOM 1267 CD1 LEU B 65 -3.554 7.211 3.734 1.00 0.00 C ATOM 1268 CD2 LEU B 65 -3.493 9.228 5.197 1.00 0.00 C ATOM 0 H LEU B 65 -3.179 10.057 1.324 1.00 0.00 H new ATOM 0 HA LEU B 65 -1.834 11.156 3.678 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -1.706 8.403 2.394 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -1.187 8.833 4.011 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.059 9.187 3.142 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -4.548 6.987 4.121 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -3.478 6.862 2.704 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -2.805 6.706 4.344 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.488 8.971 5.560 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -2.742 8.777 5.846 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.373 10.311 5.202 1.00 0.00 H new ATOM 1280 N TYR B 66 -0.343 10.678 0.843 1.00 0.00 N ATOM 1281 CA TYR B 66 0.912 10.875 0.098 1.00 0.00 C ATOM 1282 C TYR B 66 1.703 12.082 0.601 1.00 0.00 C ATOM 1283 O TYR B 66 2.918 12.000 0.790 1.00 0.00 O ATOM 1284 CB TYR B 66 0.614 11.036 -1.401 1.00 0.00 C ATOM 1285 CG TYR B 66 1.791 11.504 -2.232 1.00 0.00 C ATOM 1286 CD1 TYR B 66 1.873 12.821 -2.669 1.00 0.00 C ATOM 1287 CD2 TYR B 66 2.818 10.634 -2.582 1.00 0.00 C ATOM 1288 CE1 TYR B 66 2.942 13.258 -3.425 1.00 0.00 C ATOM 1289 CE2 TYR B 66 3.891 11.065 -3.340 1.00 0.00 C ATOM 1290 CZ TYR B 66 3.947 12.378 -3.759 1.00 0.00 C ATOM 1291 OH TYR B 66 5.016 12.814 -4.509 1.00 0.00 O ATOM 0 H TYR B 66 -1.149 10.483 0.249 1.00 0.00 H new ATOM 0 HA TYR B 66 1.527 9.990 0.261 1.00 0.00 H new ATOM 0 HB2 TYR B 66 0.266 10.080 -1.793 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -0.204 11.746 -1.521 1.00 0.00 H new ATOM 0 HD1 TYR B 66 1.086 13.515 -2.412 1.00 0.00 H new ATOM 0 HD2 TYR B 66 2.777 9.605 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR B 66 2.990 14.286 -3.753 1.00 0.00 H new ATOM 0 HE2 TYR B 66 4.681 10.377 -3.603 1.00 0.00 H new ATOM 0 HH TYR B 66 5.637 12.070 -4.657 1.00 0.00 H new ATOM 1301 N ALA B 67 1.011 13.187 0.834 1.00 0.00 N ATOM 1302 CA ALA B 67 1.661 14.422 1.254 1.00 0.00 C ATOM 1303 C ALA B 67 2.224 14.313 2.671 1.00 0.00 C ATOM 1304 O ALA B 67 3.152 15.035 3.039 1.00 0.00 O ATOM 1305 CB ALA B 67 0.682 15.579 1.159 1.00 0.00 C ATOM 0 H ALA B 67 -0.002 13.255 0.740 1.00 0.00 H new ATOM 0 HA ALA B 67 2.501 14.604 0.584 1.00 0.00 H new ATOM 0 HB1 ALA B 67 1.174 16.499 1.474 1.00 0.00 H new ATOM 0 HB2 ALA B 67 0.342 15.684 0.129 1.00 0.00 H new ATOM 0 HB3 ALA B 67 -0.174 15.385 1.806 1.00 0.00 H new ATOM 1311 N SER B 68 1.672 13.402 3.456 1.00 0.00 N ATOM 1312 CA SER B 68 2.069 13.246 4.847 1.00 0.00 C ATOM 1313 C SER B 68 3.063 12.097 5.018 1.00 0.00 C ATOM 1314 O SER B 68 3.740 11.997 6.042 1.00 0.00 O ATOM 1315 CB SER B 68 0.831 12.989 5.700 1.00 0.00 C ATOM 1316 OG SER B 68 -0.185 13.940 5.422 1.00 0.00 O ATOM 0 H SER B 68 0.944 12.756 3.152 1.00 0.00 H new ATOM 0 HA SER B 68 2.560 14.164 5.169 1.00 0.00 H new ATOM 0 HB2 SER B 68 0.455 11.984 5.508 1.00 0.00 H new ATOM 0 HB3 SER B 68 1.097 13.034 6.756 1.00 0.00 H new ATOM 0 HG SER B 68 -0.969 13.754 5.980 1.00 0.00 H new ATOM 1322 N MET B 69 3.139 11.229 4.017 1.00 0.00 N ATOM 1323 CA MET B 69 4.016 10.068 4.069 1.00 0.00 C ATOM 1324 C MET B 69 5.472 10.468 3.874 1.00 0.00 C ATOM 1325 O MET B 69 5.775 11.412 3.140 1.00 0.00 O ATOM 1326 CB MET B 69 3.624 9.049 3.001 1.00 0.00 C ATOM 1327 CG MET B 69 2.268 8.407 3.232 1.00 0.00 C ATOM 1328 SD MET B 69 2.063 6.872 2.308 1.00 0.00 S ATOM 1329 CE MET B 69 2.353 7.437 0.639 1.00 0.00 C ATOM 0 H MET B 69 2.600 11.309 3.155 1.00 0.00 H new ATOM 0 HA MET B 69 3.905 9.619 5.056 1.00 0.00 H new ATOM 0 HB2 MET B 69 3.622 9.540 2.028 1.00 0.00 H new ATOM 0 HB3 MET B 69 4.383 8.268 2.962 1.00 0.00 H new ATOM 0 HG2 MET B 69 2.141 8.206 4.296 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.484 9.108 2.944 1.00 0.00 H new ATOM 0 HE1 MET B 69 2.681 6.600 0.023 1.00 0.00 H new ATOM 0 HE2 MET B 69 1.431 7.849 0.229 1.00 0.00 H new ATOM 0 HE3 MET B 69 3.124 8.208 0.645 1.00 0.00 H new ATOM 1339 N PRO B 70 6.390 9.742 4.531 1.00 0.00 N ATOM 1340 CA PRO B 70 7.830 9.990 4.420 1.00 0.00 C ATOM 1341 C PRO B 70 8.384 9.600 3.054 1.00 0.00 C ATOM 1342 O PRO B 70 7.644 9.105 2.203 1.00 0.00 O ATOM 1343 CB PRO B 70 8.427 9.093 5.506 1.00 0.00 C ATOM 1344 CG PRO B 70 7.437 7.995 5.671 1.00 0.00 C ATOM 1345 CD PRO B 70 6.091 8.620 5.441 1.00 0.00 C ATOM 0 HA PRO B 70 8.069 11.047 4.535 1.00 0.00 H new ATOM 0 HB2 PRO B 70 9.402 8.706 5.209 1.00 0.00 H new ATOM 0 HB3 PRO B 70 8.571 9.640 6.438 1.00 0.00 H new ATOM 0 HG2 PRO B 70 7.622 7.191 4.958 1.00 0.00 H new ATOM 0 HG3 PRO B 70 7.500 7.558 6.668 1.00 0.00 H new ATOM 0 HD2 PRO B 70 5.391 7.915 4.994 1.00 0.00 H new ATOM 0 HD3 PRO B 70 5.643 8.966 6.373 1.00 0.00 H new ATOM 1353 N ASP B 71 9.678 9.817 2.852 1.00 0.00 N ATOM 1354 CA ASP B 71 10.322 9.487 1.582 1.00 0.00 C ATOM 1355 C ASP B 71 10.152 8.008 1.264 1.00 0.00 C ATOM 1356 O ASP B 71 9.714 7.635 0.169 1.00 0.00 O ATOM 1357 CB ASP B 71 11.816 9.823 1.638 1.00 0.00 C ATOM 1358 CG ASP B 71 12.488 9.739 0.279 1.00 0.00 C ATOM 1359 OD1 ASP B 71 12.647 10.791 -0.373 1.00 0.00 O ATOM 1360 OD2 ASP B 71 12.869 8.628 -0.143 1.00 0.00 O1- ATOM 0 H ASP B 71 10.304 10.220 3.550 1.00 0.00 H new ATOM 0 HA ASP B 71 9.847 10.079 0.799 1.00 0.00 H new ATOM 0 HB2 ASP B 71 11.943 10.828 2.040 1.00 0.00 H new ATOM 0 HB3 ASP B 71 12.312 9.139 2.327 1.00 0.00 H new ATOM 1365 N LYS B 72 10.478 7.170 2.237 1.00 0.00 N ATOM 1366 CA LYS B 72 10.449 5.737 2.036 1.00 0.00 C ATOM 1367 C LYS B 72 9.552 5.064 3.057 1.00 0.00 C ATOM 1368 O LYS B 72 9.374 5.556 4.172 1.00 0.00 O ATOM 1369 CB LYS B 72 11.863 5.169 2.099 1.00 0.00 C ATOM 1370 CG LYS B 72 12.775 5.762 1.043 1.00 0.00 C ATOM 1371 CD LYS B 72 14.176 5.188 1.106 1.00 0.00 C ATOM 1372 CE LYS B 72 15.063 5.799 0.033 1.00 0.00 C ATOM 1373 NZ LYS B 72 15.137 7.282 0.148 1.00 0.00 N1+ ATOM 0 H LYS B 72 10.765 7.462 3.171 1.00 0.00 H new ATOM 0 HA LYS B 72 10.037 5.536 1.047 1.00 0.00 H new ATOM 0 HB2 LYS B 72 12.284 5.359 3.086 1.00 0.00 H new ATOM 0 HB3 LYS B 72 11.822 4.087 1.973 1.00 0.00 H new ATOM 0 HG2 LYS B 72 12.353 5.576 0.055 1.00 0.00 H new ATOM 0 HG3 LYS B 72 12.822 6.843 1.172 1.00 0.00 H new ATOM 0 HD2 LYS B 72 14.606 5.376 2.090 1.00 0.00 H new ATOM 0 HD3 LYS B 72 14.136 4.106 0.978 1.00 0.00 H new ATOM 0 HE2 LYS B 72 16.066 5.379 0.109 1.00 0.00 H new ATOM 0 HE3 LYS B 72 14.679 5.530 -0.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 15.999 7.624 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 14.303 7.707 -0.304 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 15.161 7.552 1.152 1.00 0.00 H new ATOM 1387 N ILE B 73 8.988 3.940 2.659 1.00 0.00 N ATOM 1388 CA ILE B 73 8.022 3.230 3.471 1.00 0.00 C ATOM 1389 C ILE B 73 8.594 1.893 3.936 1.00 0.00 C ATOM 1390 O ILE B 73 8.775 0.969 3.138 1.00 0.00 O ATOM 1391 CB ILE B 73 6.728 2.987 2.669 1.00 0.00 C ATOM 1392 CG1 ILE B 73 6.138 4.316 2.179 1.00 0.00 C ATOM 1393 CG2 ILE B 73 5.709 2.233 3.507 1.00 0.00 C ATOM 1394 CD1 ILE B 73 5.720 5.257 3.294 1.00 0.00 C ATOM 0 H ILE B 73 9.187 3.494 1.763 1.00 0.00 H new ATOM 0 HA ILE B 73 7.794 3.841 4.345 1.00 0.00 H new ATOM 0 HB ILE B 73 6.977 2.378 1.800 1.00 0.00 H new ATOM 0 HG12 ILE B 73 6.874 4.818 1.551 1.00 0.00 H new ATOM 0 HG13 ILE B 73 5.272 4.107 1.551 1.00 0.00 H new ATOM 0 HG21 ILE B 73 4.804 2.072 2.921 1.00 0.00 H new ATOM 0 HG22 ILE B 73 6.124 1.270 3.805 1.00 0.00 H new ATOM 0 HG23 ILE B 73 5.467 2.815 4.396 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.314 6.173 2.864 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.960 4.777 3.910 1.00 0.00 H new ATOM 0 HD13 ILE B 73 6.586 5.499 3.910 1.00 0.00 H new ATOM 1406 N ASN B 74 8.877 1.798 5.226 1.00 0.00 N ATOM 1407 CA ASN B 74 9.441 0.587 5.803 1.00 0.00 C ATOM 1408 C ASN B 74 8.333 -0.397 6.154 1.00 0.00 C ATOM 1409 O ASN B 74 7.156 -0.098 5.950 1.00 0.00 O ATOM 1410 CB ASN B 74 10.268 0.933 7.042 1.00 0.00 C ATOM 1411 CG ASN B 74 11.446 1.830 6.710 1.00 0.00 C ATOM 1412 OD1 ASN B 74 11.324 3.057 6.689 1.00 0.00 O ATOM 1413 ND2 ASN B 74 12.594 1.226 6.451 1.00 0.00 N ATOM 0 H ASN B 74 8.724 2.551 5.897 1.00 0.00 H new ATOM 0 HA ASN B 74 10.096 0.117 5.069 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.632 1.428 7.775 1.00 0.00 H new ATOM 0 HB3 ASN B 74 10.631 0.014 7.503 1.00 0.00 H new ATOM 0 HD21 ASN B 74 13.421 1.778 6.223 1.00 0.00 H new ATOM 0 HD22 ASN B 74 12.652 0.208 6.479 1.00 0.00 H new ATOM 1420 N SER B 75 8.698 -1.562 6.678 1.00 0.00 N ATOM 1421 CA SER B 75 7.723 -2.605 6.988 1.00 0.00 C ATOM 1422 C SER B 75 6.649 -2.098 7.954 1.00 0.00 C ATOM 1423 O SER B 75 5.450 -2.265 7.712 1.00 0.00 O ATOM 1424 CB SER B 75 8.440 -3.821 7.573 1.00 0.00 C ATOM 1425 OG SER B 75 9.472 -4.258 6.703 1.00 0.00 O ATOM 0 H SER B 75 9.663 -1.809 6.898 1.00 0.00 H new ATOM 0 HA SER B 75 7.222 -2.892 6.064 1.00 0.00 H new ATOM 0 HB2 SER B 75 8.860 -3.569 8.547 1.00 0.00 H new ATOM 0 HB3 SER B 75 7.726 -4.629 7.734 1.00 0.00 H new ATOM 0 HG SER B 75 9.922 -5.036 7.094 1.00 0.00 H new ATOM 1431 N GLU B 76 7.082 -1.461 9.037 1.00 0.00 N ATOM 1432 CA GLU B 76 6.158 -0.894 10.014 1.00 0.00 C ATOM 1433 C GLU B 76 5.363 0.250 9.396 1.00 0.00 C ATOM 1434 O GLU B 76 4.158 0.383 9.622 1.00 0.00 O ATOM 1435 CB GLU B 76 6.929 -0.388 11.233 1.00 0.00 C ATOM 1436 CG GLU B 76 6.044 0.205 12.316 1.00 0.00 C ATOM 1437 CD GLU B 76 6.845 0.802 13.449 1.00 0.00 C ATOM 1438 OE1 GLU B 76 7.006 0.129 14.488 1.00 0.00 O ATOM 1439 OE2 GLU B 76 7.322 1.947 13.305 1.00 0.00 O1- ATOM 0 H GLU B 76 8.068 -1.324 9.261 1.00 0.00 H new ATOM 0 HA GLU B 76 5.464 -1.675 10.326 1.00 0.00 H new ATOM 0 HB2 GLU B 76 7.502 -1.213 11.657 1.00 0.00 H new ATOM 0 HB3 GLU B 76 7.647 0.366 10.910 1.00 0.00 H new ATOM 0 HG2 GLU B 76 5.407 0.974 11.880 1.00 0.00 H new ATOM 0 HG3 GLU B 76 5.386 -0.570 12.709 1.00 0.00 H new ATOM 1446 N THR B 77 6.042 1.052 8.588 1.00 0.00 N ATOM 1447 CA THR B 77 5.440 2.222 7.974 1.00 0.00 C ATOM 1448 C THR B 77 4.318 1.802 7.028 1.00 0.00 C ATOM 1449 O THR B 77 3.268 2.443 6.953 1.00 0.00 O ATOM 1450 CB THR B 77 6.509 3.014 7.197 1.00 0.00 C ATOM 1451 OG1 THR B 77 7.766 2.923 7.881 1.00 0.00 O ATOM 1452 CG2 THR B 77 6.122 4.476 7.054 1.00 0.00 C ATOM 0 H THR B 77 7.021 0.909 8.342 1.00 0.00 H new ATOM 0 HA THR B 77 5.023 2.855 8.757 1.00 0.00 H new ATOM 0 HB THR B 77 6.590 2.581 6.200 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.351 3.654 7.590 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.898 5.005 6.501 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.177 4.551 6.516 1.00 0.00 H new ATOM 0 HG23 THR B 77 6.013 4.922 8.043 1.00 0.00 H new ATOM 1460 N ALA B 78 4.553 0.694 6.335 1.00 0.00 N ATOM 1461 CA ALA B 78 3.599 0.139 5.388 1.00 0.00 C ATOM 1462 C ALA B 78 2.281 -0.215 6.065 1.00 0.00 C ATOM 1463 O ALA B 78 1.211 0.137 5.576 1.00 0.00 O ATOM 1464 CB ALA B 78 4.196 -1.091 4.727 1.00 0.00 C ATOM 0 H ALA B 78 5.415 0.155 6.416 1.00 0.00 H new ATOM 0 HA ALA B 78 3.388 0.895 4.632 1.00 0.00 H new ATOM 0 HB1 ALA B 78 3.480 -1.506 4.017 1.00 0.00 H new ATOM 0 HB2 ALA B 78 5.110 -0.814 4.201 1.00 0.00 H new ATOM 0 HB3 ALA B 78 4.427 -1.837 5.488 1.00 0.00 H new ATOM 1470 N GLY B 79 2.366 -0.897 7.197 1.00 0.00 N ATOM 1471 CA GLY B 79 1.168 -1.304 7.905 1.00 0.00 C ATOM 1472 C GLY B 79 0.411 -0.125 8.484 1.00 0.00 C ATOM 1473 O GLY B 79 -0.810 -0.176 8.643 1.00 0.00 O ATOM 0 H GLY B 79 3.242 -1.176 7.639 1.00 0.00 H new ATOM 0 HA2 GLY B 79 0.516 -1.853 7.225 1.00 0.00 H new ATOM 0 HA3 GLY B 79 1.439 -1.989 8.709 1.00 0.00 H new ATOM 1477 N THR B 80 1.137 0.941 8.789 1.00 0.00 N ATOM 1478 CA THR B 80 0.543 2.130 9.375 1.00 0.00 C ATOM 1479 C THR B 80 -0.260 2.919 8.338 1.00 0.00 C ATOM 1480 O THR B 80 -1.431 3.219 8.549 1.00 0.00 O ATOM 1481 CB THR B 80 1.627 3.032 9.994 1.00 0.00 C ATOM 1482 OG1 THR B 80 2.367 2.289 10.976 1.00 0.00 O ATOM 1483 CG2 THR B 80 1.016 4.269 10.638 1.00 0.00 C ATOM 0 H THR B 80 2.144 1.005 8.639 1.00 0.00 H new ATOM 0 HA THR B 80 -0.138 1.803 10.161 1.00 0.00 H new ATOM 0 HB THR B 80 2.294 3.360 9.197 1.00 0.00 H new ATOM 0 HG1 THR B 80 2.973 1.665 10.525 1.00 0.00 H new ATOM 0 HG21 THR B 80 1.807 4.885 11.066 1.00 0.00 H new ATOM 0 HG22 THR B 80 0.477 4.843 9.884 1.00 0.00 H new ATOM 0 HG23 THR B 80 0.326 3.966 11.426 1.00 0.00 H new ATOM 1491 N TRP B 81 0.363 3.234 7.213 1.00 0.00 N ATOM 1492 CA TRP B 81 -0.307 4.008 6.175 1.00 0.00 C ATOM 1493 C TRP B 81 -1.243 3.128 5.362 1.00 0.00 C ATOM 1494 O TRP B 81 -2.242 3.600 4.813 1.00 0.00 O ATOM 1495 CB TRP B 81 0.721 4.687 5.273 1.00 0.00 C ATOM 1496 CG TRP B 81 1.544 5.693 6.009 1.00 0.00 C ATOM 1497 CD1 TRP B 81 2.794 5.515 6.520 1.00 0.00 C ATOM 1498 CD2 TRP B 81 1.161 7.028 6.335 1.00 0.00 C ATOM 1499 NE1 TRP B 81 3.216 6.666 7.139 1.00 0.00 N ATOM 1500 CE2 TRP B 81 2.229 7.610 7.038 1.00 0.00 C ATOM 1501 CE3 TRP B 81 0.017 7.789 6.094 1.00 0.00 C ATOM 1502 CZ2 TRP B 81 2.189 8.920 7.505 1.00 0.00 C ATOM 1503 CZ3 TRP B 81 -0.026 9.090 6.556 1.00 0.00 C ATOM 1504 CH2 TRP B 81 1.054 9.646 7.255 1.00 0.00 C ATOM 0 H TRP B 81 1.323 2.969 6.995 1.00 0.00 H new ATOM 0 HA TRP B 81 -0.908 4.780 6.655 1.00 0.00 H new ATOM 0 HB2 TRP B 81 1.376 3.931 4.840 1.00 0.00 H new ATOM 0 HB3 TRP B 81 0.208 5.176 4.445 1.00 0.00 H new ATOM 0 HD1 TRP B 81 3.368 4.603 6.449 1.00 0.00 H new ATOM 0 HE1 TRP B 81 4.117 6.796 7.599 1.00 0.00 H new ATOM 0 HE3 TRP B 81 -0.820 7.369 5.556 1.00 0.00 H new ATOM 0 HZ2 TRP B 81 3.021 9.348 8.044 1.00 0.00 H new ATOM 0 HZ3 TRP B 81 -0.907 9.689 6.376 1.00 0.00 H new ATOM 0 HH2 TRP B 81 0.991 10.666 7.603 1.00 0.00 H new ATOM 1515 N GLY B 82 -0.925 1.842 5.304 1.00 0.00 N ATOM 1516 CA GLY B 82 -1.765 0.899 4.601 1.00 0.00 C ATOM 1517 C GLY B 82 -3.138 0.779 5.225 1.00 0.00 C ATOM 1518 O GLY B 82 -4.138 0.644 4.518 1.00 0.00 O ATOM 0 H GLY B 82 -0.095 1.435 5.735 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -1.866 1.211 3.561 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -1.284 -0.079 4.595 1.00 0.00 H new ATOM 1522 N ARG B 83 -3.197 0.836 6.552 1.00 0.00 N ATOM 1523 CA ARG B 83 -4.470 0.751 7.247 1.00 0.00 C ATOM 1524 C ARG B 83 -5.228 2.068 7.116 1.00 0.00 C ATOM 1525 O ARG B 83 -6.458 2.087 7.107 1.00 0.00 O ATOM 1526 CB ARG B 83 -4.265 0.381 8.720 1.00 0.00 C ATOM 1527 CG ARG B 83 -3.635 1.483 9.552 1.00 0.00 C ATOM 1528 CD ARG B 83 -3.362 1.026 10.970 1.00 0.00 C ATOM 1529 NE ARG B 83 -2.426 -0.094 11.012 1.00 0.00 N ATOM 1530 CZ ARG B 83 -2.117 -0.767 12.121 1.00 0.00 C ATOM 1531 NH1 ARG B 83 -2.658 -0.426 13.285 1.00 0.00 N1+ ATOM 1532 NH2 ARG B 83 -1.261 -1.777 12.068 1.00 0.00 N ATOM 0 H ARG B 83 -2.385 0.940 7.160 1.00 0.00 H new ATOM 0 HA ARG B 83 -5.065 -0.038 6.787 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -5.229 0.117 9.155 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -3.636 -0.507 8.777 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -2.703 1.803 9.087 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -4.296 2.349 9.570 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.959 1.858 11.548 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -4.299 0.734 11.444 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.981 -0.379 10.139 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -3.313 0.354 13.334 1.00 0.00 H new ATOM 0 HH12 ARG B 83 -2.418 -0.944 14.130 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.838 -2.040 11.178 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -1.025 -2.291 12.917 1.00 0.00 H new ATOM 1546 N SER B 84 -4.484 3.166 6.996 1.00 0.00 N ATOM 1547 CA SER B 84 -5.079 4.472 6.763 1.00 0.00 C ATOM 1548 C SER B 84 -5.795 4.480 5.417 1.00 0.00 C ATOM 1549 O SER B 84 -6.919 4.965 5.301 1.00 0.00 O ATOM 1550 CB SER B 84 -4.003 5.557 6.800 1.00 0.00 C ATOM 1551 OG SER B 84 -3.260 5.493 8.004 1.00 0.00 O ATOM 0 H SER B 84 -3.466 3.173 7.057 1.00 0.00 H new ATOM 0 HA SER B 84 -5.804 4.678 7.550 1.00 0.00 H new ATOM 0 HB2 SER B 84 -3.333 5.439 5.948 1.00 0.00 H new ATOM 0 HB3 SER B 84 -4.468 6.539 6.707 1.00 0.00 H new ATOM 0 HG SER B 84 -2.681 4.703 7.989 1.00 0.00 H new ATOM 1557 N LEU B 85 -5.135 3.925 4.403 1.00 0.00 N ATOM 1558 CA LEU B 85 -5.752 3.754 3.095 1.00 0.00 C ATOM 1559 C LEU B 85 -6.994 2.883 3.217 1.00 0.00 C ATOM 1560 O LEU B 85 -8.058 3.230 2.710 1.00 0.00 O ATOM 1561 CB LEU B 85 -4.772 3.108 2.110 1.00 0.00 C ATOM 1562 CG LEU B 85 -3.558 3.955 1.722 1.00 0.00 C ATOM 1563 CD1 LEU B 85 -2.553 3.114 0.954 1.00 0.00 C ATOM 1564 CD2 LEU B 85 -3.982 5.150 0.885 1.00 0.00 C ATOM 0 H LEU B 85 -4.174 3.587 4.464 1.00 0.00 H new ATOM 0 HA LEU B 85 -6.030 4.738 2.718 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -4.415 2.173 2.543 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -5.317 2.851 1.201 1.00 0.00 H new ATOM 0 HG LEU B 85 -3.090 4.320 2.636 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -1.695 3.729 0.684 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -2.223 2.283 1.577 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -3.020 2.726 0.049 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -3.104 5.739 0.620 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -4.473 4.802 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -4.674 5.768 1.457 1.00 0.00 H new ATOM 1576 N GLY B 86 -6.847 1.764 3.919 1.00 0.00 N ATOM 1577 CA GLY B 86 -7.934 0.813 4.060 1.00 0.00 C ATOM 1578 C GLY B 86 -9.186 1.414 4.671 1.00 0.00 C ATOM 1579 O GLY B 86 -10.273 1.305 4.099 1.00 0.00 O ATOM 0 H GLY B 86 -5.986 1.498 4.397 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -8.178 0.403 3.080 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -7.600 -0.020 4.679 1.00 0.00 H new ATOM 1583 N GLU B 87 -9.038 2.057 5.823 1.00 0.00 N ATOM 1584 CA GLU B 87 -10.178 2.649 6.513 1.00 0.00 C ATOM 1585 C GLU B 87 -10.796 3.768 5.680 1.00 0.00 C ATOM 1586 O GLU B 87 -12.018 3.893 5.601 1.00 0.00 O ATOM 1587 CB GLU B 87 -9.762 3.168 7.894 1.00 0.00 C ATOM 1588 CG GLU B 87 -8.684 4.242 7.855 1.00 0.00 C ATOM 1589 CD GLU B 87 -8.197 4.634 9.231 1.00 0.00 C ATOM 1590 OE1 GLU B 87 -7.137 4.127 9.658 1.00 0.00 O ATOM 1591 OE2 GLU B 87 -8.869 5.447 9.896 1.00 0.00 O1- ATOM 0 H GLU B 87 -8.144 2.182 6.298 1.00 0.00 H new ATOM 0 HA GLU B 87 -10.932 1.874 6.651 1.00 0.00 H new ATOM 0 HB2 GLU B 87 -10.641 3.568 8.400 1.00 0.00 H new ATOM 0 HB3 GLU B 87 -9.404 2.330 8.492 1.00 0.00 H new ATOM 0 HG2 GLU B 87 -7.841 3.883 7.265 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -9.075 5.124 7.348 1.00 0.00 H new ATOM 1598 N CYS B 88 -9.942 4.561 5.044 1.00 0.00 N ATOM 1599 CA CYS B 88 -10.381 5.656 4.189 1.00 0.00 C ATOM 1600 C CYS B 88 -11.204 5.131 3.020 1.00 0.00 C ATOM 1601 O CYS B 88 -12.293 5.633 2.731 1.00 0.00 O ATOM 1602 CB CYS B 88 -9.163 6.418 3.665 1.00 0.00 C ATOM 1603 SG CYS B 88 -9.551 7.695 2.422 1.00 0.00 S ATOM 0 H CYS B 88 -8.929 4.463 5.106 1.00 0.00 H new ATOM 0 HA CYS B 88 -11.007 6.328 4.777 1.00 0.00 H new ATOM 0 HB2 CYS B 88 -8.655 6.890 4.506 1.00 0.00 H new ATOM 0 HB3 CYS B 88 -8.463 5.705 3.229 1.00 0.00 H new ATOM 1608 N ILE B 89 -10.676 4.110 2.363 1.00 0.00 N ATOM 1609 CA ILE B 89 -11.333 3.494 1.222 1.00 0.00 C ATOM 1610 C ILE B 89 -12.667 2.882 1.621 1.00 0.00 C ATOM 1611 O ILE B 89 -13.666 3.054 0.926 1.00 0.00 O ATOM 1612 CB ILE B 89 -10.433 2.414 0.600 1.00 0.00 C ATOM 1613 CG1 ILE B 89 -9.217 3.067 -0.061 1.00 0.00 C ATOM 1614 CG2 ILE B 89 -11.216 1.575 -0.397 1.00 0.00 C ATOM 1615 CD1 ILE B 89 -8.186 2.077 -0.536 1.00 0.00 C ATOM 0 H ILE B 89 -9.781 3.686 2.606 1.00 0.00 H new ATOM 0 HA ILE B 89 -11.517 4.275 0.485 1.00 0.00 H new ATOM 0 HB ILE B 89 -10.080 1.748 1.388 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -9.552 3.665 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -8.752 3.751 0.648 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -10.562 0.816 -0.827 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -12.050 1.090 0.111 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -11.598 2.216 -1.191 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -7.353 2.611 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -7.823 1.495 0.311 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -8.635 1.408 -1.270 1.00 0.00 H new ATOM 1627 N GLY B 90 -12.681 2.178 2.747 1.00 0.00 N ATOM 1628 CA GLY B 90 -13.911 1.583 3.230 1.00 0.00 C ATOM 1629 C GLY B 90 -14.990 2.622 3.465 1.00 0.00 C ATOM 1630 O GLY B 90 -16.178 2.344 3.302 1.00 0.00 O ATOM 0 H GLY B 90 -11.863 2.009 3.333 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -14.266 0.848 2.508 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -13.715 1.048 4.159 1.00 0.00 H new ATOM 1634 N LYS B 91 -14.568 3.826 3.837 1.00 0.00 N ATOM 1635 CA LYS B 91 -15.490 4.928 4.077 1.00 0.00 C ATOM 1636 C LYS B 91 -16.077 5.439 2.767 1.00 0.00 C ATOM 1637 O LYS B 91 -17.266 5.749 2.685 1.00 0.00 O ATOM 1638 CB LYS B 91 -14.777 6.068 4.802 1.00 0.00 C ATOM 1639 CG LYS B 91 -14.397 5.743 6.239 1.00 0.00 C ATOM 1640 CD LYS B 91 -13.487 6.808 6.832 1.00 0.00 C ATOM 1641 CE LYS B 91 -14.166 8.167 6.887 1.00 0.00 C ATOM 1642 NZ LYS B 91 -13.237 9.237 7.333 1.00 0.00 N1+ ATOM 0 H LYS B 91 -13.586 4.063 3.979 1.00 0.00 H new ATOM 0 HA LYS B 91 -16.303 4.558 4.702 1.00 0.00 H new ATOM 0 HB2 LYS B 91 -13.875 6.330 4.248 1.00 0.00 H new ATOM 0 HB3 LYS B 91 -15.421 6.948 4.797 1.00 0.00 H new ATOM 0 HG2 LYS B 91 -15.300 5.657 6.844 1.00 0.00 H new ATOM 0 HG3 LYS B 91 -13.896 4.775 6.274 1.00 0.00 H new ATOM 0 HD2 LYS B 91 -13.187 6.511 7.837 1.00 0.00 H new ATOM 0 HD3 LYS B 91 -12.577 6.881 6.236 1.00 0.00 H new ATOM 0 HE2 LYS B 91 -14.559 8.416 5.901 1.00 0.00 H new ATOM 0 HE3 LYS B 91 -15.017 8.120 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS B 91 -13.741 10.147 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 91 -12.881 9.014 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 91 -12.438 9.301 6.671 1.00 0.00 H new ATOM 1656 N ASP B 92 -15.241 5.521 1.740 1.00 0.00 N ATOM 1657 CA ASP B 92 -15.676 6.039 0.449 1.00 0.00 C ATOM 1658 C ASP B 92 -16.488 4.989 -0.291 1.00 0.00 C ATOM 1659 O ASP B 92 -17.545 5.282 -0.846 1.00 0.00 O ATOM 1660 CB ASP B 92 -14.475 6.472 -0.394 1.00 0.00 C ATOM 1661 CG ASP B 92 -14.886 7.130 -1.698 1.00 0.00 C ATOM 1662 OD1 ASP B 92 -14.583 6.579 -2.773 1.00 0.00 O ATOM 1663 OD2 ASP B 92 -15.521 8.210 -1.651 1.00 0.00 O1- ATOM 0 H ASP B 92 -14.262 5.237 1.775 1.00 0.00 H new ATOM 0 HA ASP B 92 -16.304 6.912 0.623 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -13.863 7.166 0.182 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -13.854 5.602 -0.610 1.00 0.00 H new ATOM 1668 N PHE B 93 -15.994 3.759 -0.260 1.00 0.00 N ATOM 1669 CA PHE B 93 -16.649 2.630 -0.911 1.00 0.00 C ATOM 1670 C PHE B 93 -18.069 2.436 -0.388 1.00 0.00 C ATOM 1671 O PHE B 93 -19.004 2.216 -1.166 1.00 0.00 O ATOM 1672 CB PHE B 93 -15.825 1.360 -0.682 1.00 0.00 C ATOM 1673 CG PHE B 93 -16.487 0.098 -1.156 1.00 0.00 C ATOM 1674 CD1 PHE B 93 -16.983 -0.822 -0.246 1.00 0.00 C ATOM 1675 CD2 PHE B 93 -16.609 -0.172 -2.509 1.00 0.00 C ATOM 1676 CE1 PHE B 93 -17.587 -1.986 -0.674 1.00 0.00 C ATOM 1677 CE2 PHE B 93 -17.213 -1.336 -2.943 1.00 0.00 C ATOM 1678 CZ PHE B 93 -17.700 -2.244 -2.024 1.00 0.00 C ATOM 0 H PHE B 93 -15.127 3.514 0.218 1.00 0.00 H new ATOM 0 HA PHE B 93 -16.713 2.838 -1.979 1.00 0.00 H new ATOM 0 HB2 PHE B 93 -14.867 1.466 -1.190 1.00 0.00 H new ATOM 0 HB3 PHE B 93 -15.612 1.267 0.383 1.00 0.00 H new ATOM 0 HD1 PHE B 93 -16.896 -0.625 0.812 1.00 0.00 H new ATOM 0 HD2 PHE B 93 -16.228 0.534 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE B 93 -17.970 -2.693 0.046 1.00 0.00 H new ATOM 0 HE2 PHE B 93 -17.304 -1.536 -4.000 1.00 0.00 H new ATOM 0 HZ PHE B 93 -18.169 -3.156 -2.362 1.00 0.00 H new ATOM 1688 N ALA B 94 -18.224 2.525 0.928 1.00 0.00 N ATOM 1689 CA ALA B 94 -19.522 2.332 1.554 1.00 0.00 C ATOM 1690 C ALA B 94 -20.516 3.381 1.082 1.00 0.00 C ATOM 1691 O ALA B 94 -21.587 3.049 0.577 1.00 0.00 O ATOM 1692 CB ALA B 94 -19.404 2.367 3.068 1.00 0.00 C ATOM 0 H ALA B 94 -17.466 2.729 1.580 1.00 0.00 H new ATOM 0 HA ALA B 94 -19.890 1.350 1.257 1.00 0.00 H new ATOM 0 HB1 ALA B 94 -20.388 2.220 3.513 1.00 0.00 H new ATOM 0 HB2 ALA B 94 -18.734 1.574 3.399 1.00 0.00 H new ATOM 0 HB3 ALA B 94 -19.005 3.332 3.380 1.00 0.00 H new ATOM 1698 N GLU B 95 -20.146 4.647 1.218 1.00 0.00 N ATOM 1699 CA GLU B 95 -21.046 5.731 0.858 1.00 0.00 C ATOM 1700 C GLU B 95 -21.234 5.820 -0.655 1.00 0.00 C ATOM 1701 O GLU B 95 -22.192 6.425 -1.132 1.00 0.00 O ATOM 1702 CB GLU B 95 -20.549 7.056 1.428 1.00 0.00 C ATOM 1703 CG GLU B 95 -20.482 7.049 2.944 1.00 0.00 C ATOM 1704 CD GLU B 95 -20.330 8.432 3.540 1.00 0.00 C ATOM 1705 OE1 GLU B 95 -19.235 9.022 3.432 1.00 0.00 O ATOM 1706 OE2 GLU B 95 -21.305 8.930 4.135 1.00 0.00 O1- ATOM 0 H GLU B 95 -19.237 4.946 1.572 1.00 0.00 H new ATOM 0 HA GLU B 95 -22.021 5.516 1.296 1.00 0.00 H new ATOM 0 HB2 GLU B 95 -19.560 7.273 1.025 1.00 0.00 H new ATOM 0 HB3 GLU B 95 -21.209 7.859 1.101 1.00 0.00 H new ATOM 0 HG2 GLU B 95 -21.387 6.587 3.339 1.00 0.00 H new ATOM 0 HG3 GLU B 95 -19.643 6.429 3.261 1.00 0.00 H new ATOM 1713 N LYS B 96 -20.320 5.208 -1.402 1.00 0.00 N ATOM 1714 CA LYS B 96 -20.450 5.129 -2.852 1.00 0.00 C ATOM 1715 C LYS B 96 -21.607 4.224 -3.251 1.00 0.00 C ATOM 1716 O LYS B 96 -22.638 4.684 -3.737 1.00 0.00 O ATOM 1717 CB LYS B 96 -19.178 4.573 -3.495 1.00 0.00 C ATOM 1718 CG LYS B 96 -18.171 5.613 -3.947 1.00 0.00 C ATOM 1719 CD LYS B 96 -17.063 4.955 -4.760 1.00 0.00 C ATOM 1720 CE LYS B 96 -16.077 5.972 -5.312 1.00 0.00 C ATOM 1721 NZ LYS B 96 -16.725 6.966 -6.207 1.00 0.00 N1+ ATOM 0 H LYS B 96 -19.483 4.761 -1.028 1.00 0.00 H new ATOM 0 HA LYS B 96 -20.630 6.145 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS B 96 -18.692 3.907 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS B 96 -19.461 3.967 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -18.669 6.375 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS B 96 -17.745 6.118 -3.080 1.00 0.00 H new ATOM 0 HD2 LYS B 96 -16.531 4.238 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -17.503 4.393 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -15.596 6.493 -4.484 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -15.292 5.451 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -15.995 7.482 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -17.356 6.475 -6.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -17.278 7.638 -5.637 1.00 0.00 H new ATOM 1735 N HIS B 97 -21.422 2.927 -3.041 1.00 0.00 N ATOM 1736 CA HIS B 97 -22.346 1.939 -3.574 1.00 0.00 C ATOM 1737 C HIS B 97 -23.137 1.224 -2.487 1.00 0.00 C ATOM 1738 O HIS B 97 -24.289 0.861 -2.707 1.00 0.00 O ATOM 1739 CB HIS B 97 -21.597 0.927 -4.439 1.00 0.00 C ATOM 1740 CG HIS B 97 -21.111 1.497 -5.737 1.00 0.00 C ATOM 1741 ND1 HIS B 97 -21.863 1.493 -6.887 1.00 0.00 N ATOM 1742 CD2 HIS B 97 -19.942 2.102 -6.057 1.00 0.00 C ATOM 1743 CE1 HIS B 97 -21.181 2.067 -7.859 1.00 0.00 C ATOM 1744 NE2 HIS B 97 -20.011 2.447 -7.383 1.00 0.00 N ATOM 0 H HIS B 97 -20.644 2.538 -2.508 1.00 0.00 H new ATOM 0 HA HIS B 97 -23.068 2.478 -4.187 1.00 0.00 H new ATOM 0 HB2 HIS B 97 -20.745 0.541 -3.879 1.00 0.00 H new ATOM 0 HB3 HIS B 97 -22.253 0.081 -4.645 1.00 0.00 H new ATOM 0 HD2 HIS B 97 -19.110 2.280 -5.392 1.00 0.00 H new ATOM 0 HE1 HIS B 97 -21.523 2.203 -8.874 1.00 0.00 H new ATOM 0 HE2 HIS B 97 -19.279 2.919 -7.913 1.00 0.00 H new ATOM 1753 N LEU B 98 -22.531 1.012 -1.322 1.00 0.00 N ATOM 1754 CA LEU B 98 -23.209 0.282 -0.253 1.00 0.00 C ATOM 1755 C LEU B 98 -24.410 1.065 0.259 1.00 0.00 C ATOM 1756 O LEU B 98 -25.414 0.482 0.653 1.00 0.00 O ATOM 1757 CB LEU B 98 -22.260 -0.037 0.905 1.00 0.00 C ATOM 1758 CG LEU B 98 -21.112 -0.996 0.578 1.00 0.00 C ATOM 1759 CD1 LEU B 98 -20.334 -1.336 1.837 1.00 0.00 C ATOM 1760 CD2 LEU B 98 -21.634 -2.268 -0.076 1.00 0.00 C ATOM 0 H LEU B 98 -21.588 1.329 -1.095 1.00 0.00 H new ATOM 0 HA LEU B 98 -23.554 -0.661 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -21.835 0.898 1.270 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -22.843 -0.463 1.722 1.00 0.00 H new ATOM 0 HG LEU B 98 -20.445 -0.499 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -19.521 -2.019 1.589 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -19.923 -0.423 2.268 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -20.999 -1.811 2.559 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -20.799 -2.932 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -22.325 -2.769 0.602 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -22.152 -2.015 -1.001 1.00 0.00 H new ATOM 1772 N ILE B 99 -24.314 2.386 0.235 1.00 0.00 N ATOM 1773 CA ILE B 99 -25.460 3.222 0.553 1.00 0.00 C ATOM 1774 C ILE B 99 -26.247 3.525 -0.721 1.00 0.00 C ATOM 1775 O ILE B 99 -25.790 4.284 -1.578 1.00 0.00 O ATOM 1776 CB ILE B 99 -25.041 4.543 1.234 1.00 0.00 C ATOM 1777 CG1 ILE B 99 -24.294 4.250 2.539 1.00 0.00 C ATOM 1778 CG2 ILE B 99 -26.263 5.415 1.499 1.00 0.00 C ATOM 1779 CD1 ILE B 99 -23.892 5.492 3.307 1.00 0.00 C ATOM 0 H ILE B 99 -23.463 2.897 0.001 1.00 0.00 H new ATOM 0 HA ILE B 99 -26.086 2.672 1.256 1.00 0.00 H new ATOM 0 HB ILE B 99 -24.372 5.085 0.566 1.00 0.00 H new ATOM 0 HG12 ILE B 99 -24.924 3.629 3.176 1.00 0.00 H new ATOM 0 HG13 ILE B 99 -23.400 3.669 2.312 1.00 0.00 H new ATOM 0 HG21 ILE B 99 -25.951 6.342 1.979 1.00 0.00 H new ATOM 0 HG22 ILE B 99 -26.758 5.644 0.555 1.00 0.00 H new ATOM 0 HG23 ILE B 99 -26.955 4.883 2.152 1.00 0.00 H new ATOM 0 HD11 ILE B 99 -23.368 5.203 4.218 1.00 0.00 H new ATOM 0 HD12 ILE B 99 -23.235 6.105 2.690 1.00 0.00 H new ATOM 0 HD13 ILE B 99 -24.783 6.064 3.567 1.00 0.00 H new