USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 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 70 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 124 ASN : amide:sc= -0.0243 X(o=-0.024,f=-0.37) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 148:sc= 0.579 (180deg=-0.134) USER MOD Set 2.2: A 68 GLN : amide:sc= 0.975 K(o=1.6,f=-7.9!) USER MOD Set 3.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 62 GLN : amide:sc= -0.389 K(o=-0.39,f=0.78) USER MOD Set 4.1: A 41 ASN : amide:sc= -0.844 K(o=-3.5,f=-0.69) USER MOD Set 4.2: A 73 ASN : amide:sc= -2.66! C(o=-3.5!,f=-0.69!) USER MOD Single : A 22 MET CE :methyl -154:sc= -0.117 (180deg=-1.06) USER MOD Single : A 25 GLN : amide:sc= -1.77 K(o=-1.8,f=-3.6!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.36 X(o=0.36,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 146:sc= 0.609 (180deg=-2.04) USER MOD Single : A 36 THR OG1 : rot 6:sc= 1.1 USER MOD Single : A 37 SER OG : rot -33:sc= 0.683 USER MOD Single : A 38 CYS SG : rot -86:sc= -4.22! USER MOD Single : A 39 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.41) USER MOD Single : A 69 GLN : amide:sc= 0.224 X(o=0.22,f=-0.015) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.0435 (180deg=0.0428) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -126:sc= 0.546 (180deg=-2.1!) USER MOD Single : A 80 ASN : amide:sc= -0.0474 X(o=-0.047,f=-0.047) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 85 GLN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.1) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 76:sc= 0.639 USER MOD Single : A 101 MET CE :methyl -116:sc= -0.198 (180deg=-1.97!) USER MOD Single : A 103 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.21) USER MOD Single : A 104 ASN : amide:sc= -0.657 K(o=-0.66,f=-5.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0442) USER MOD Single : A 109 SER OG : rot 177:sc= 0.103 USER MOD Single : A 110 GLN : amide:sc= -0.864 K(o=-0.86,f=-3.9!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -171:sc=-0.00763 (180deg=-0.112) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= -1.68! C(o=-1.7!,f=-3.8!) USER MOD Single : A 128 ASN : amide:sc= -3.89! K(o=-3.9!,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 9.044 3.057 7.421 1.00 4.31 N ATOM 308 CA MET A 22 8.684 3.606 6.117 1.00 41.45 C ATOM 309 C MET A 22 7.250 3.222 5.784 1.00 23.31 C ATOM 310 O MET A 22 6.544 3.942 5.073 1.00 70.30 O ATOM 311 CB MET A 22 9.643 3.115 5.024 1.00 1.32 C ATOM 312 CG MET A 22 11.056 3.674 5.146 1.00 71.32 C ATOM 313 SD MET A 22 11.113 5.479 5.034 1.00 51.43 S ATOM 314 CE MET A 22 10.402 5.759 3.410 1.00 24.03 C ATOM 0 HA MET A 22 8.765 4.692 6.160 1.00 41.45 H new ATOM 0 HB2 MET A 22 9.689 2.026 5.057 1.00 1.32 H new ATOM 0 HB3 MET A 22 9.238 3.387 4.049 1.00 1.32 H new ATOM 0 HG2 MET A 22 11.484 3.361 6.098 1.00 71.32 H new ATOM 0 HG3 MET A 22 11.679 3.247 4.360 1.00 71.32 H new ATOM 0 HE1 MET A 22 10.772 6.702 3.008 1.00 24.03 H new ATOM 0 HE2 MET A 22 10.685 4.944 2.743 1.00 24.03 H new ATOM 0 HE3 MET A 22 9.316 5.801 3.491 1.00 24.03 H new ATOM 324 N ILE A 23 6.825 2.078 6.311 1.00 33.53 N ATOM 325 CA ILE A 23 5.429 1.670 6.236 1.00 22.41 C ATOM 326 C ILE A 23 4.617 2.522 7.211 1.00 32.24 C ATOM 327 O ILE A 23 4.840 2.468 8.424 1.00 45.44 O ATOM 328 CB ILE A 23 5.246 0.169 6.580 1.00 73.24 C ATOM 329 CG1 ILE A 23 6.217 -0.702 5.760 1.00 1.41 C ATOM 330 CG2 ILE A 23 3.798 -0.260 6.339 1.00 14.52 C ATOM 331 CD1 ILE A 23 6.049 -0.573 4.258 1.00 21.21 C ATOM 0 H ILE A 23 7.431 1.416 6.796 1.00 33.53 H new ATOM 0 HA ILE A 23 5.082 1.816 5.213 1.00 22.41 H new ATOM 0 HB ILE A 23 5.476 0.028 7.636 1.00 73.24 H new ATOM 0 HG12 ILE A 23 7.240 -0.434 6.024 1.00 1.41 H new ATOM 0 HG13 ILE A 23 6.078 -1.746 6.042 1.00 1.41 H new ATOM 0 HG21 ILE A 23 3.686 -1.316 6.585 1.00 14.52 H new ATOM 0 HG22 ILE A 23 3.134 0.332 6.969 1.00 14.52 H new ATOM 0 HG23 ILE A 23 3.541 -0.102 5.291 1.00 14.52 H new ATOM 0 HD11 ILE A 23 6.769 -1.218 3.755 1.00 21.21 H new ATOM 0 HD12 ILE A 23 5.038 -0.870 3.978 1.00 21.21 H new ATOM 0 HD13 ILE A 23 6.218 0.462 3.960 1.00 21.21 H new ATOM 343 N GLU A 24 3.705 3.321 6.677 1.00 32.31 N ATOM 344 CA GLU A 24 2.965 4.295 7.471 1.00 74.12 C ATOM 345 C GLU A 24 1.901 3.619 8.340 1.00 1.31 C ATOM 346 O GLU A 24 1.300 2.620 7.944 1.00 1.23 O ATOM 347 CB GLU A 24 2.318 5.336 6.552 1.00 61.40 C ATOM 348 CG GLU A 24 1.682 6.508 7.288 1.00 55.34 C ATOM 349 CD GLU A 24 2.685 7.280 8.128 1.00 21.22 C ATOM 350 OE1 GLU A 24 3.363 8.173 7.578 1.00 62.14 O ATOM 351 OE2 GLU A 24 2.803 6.996 9.341 1.00 52.04 O ATOM 0 H GLU A 24 3.457 3.314 5.688 1.00 32.31 H new ATOM 0 HA GLU A 24 3.670 4.792 8.138 1.00 74.12 H new ATOM 0 HB2 GLU A 24 3.074 5.719 5.866 1.00 61.40 H new ATOM 0 HB3 GLU A 24 1.556 4.846 5.945 1.00 61.40 H new ATOM 0 HG2 GLU A 24 1.224 7.182 6.564 1.00 55.34 H new ATOM 0 HG3 GLU A 24 0.883 6.139 7.930 1.00 55.34 H new ATOM 358 N GLN A 25 1.672 4.191 9.514 1.00 65.30 N ATOM 359 CA GLN A 25 0.722 3.654 10.481 1.00 24.12 C ATOM 360 C GLN A 25 -0.567 4.477 10.436 1.00 35.54 C ATOM 361 O GLN A 25 -0.540 5.686 10.678 1.00 74.24 O ATOM 362 CB GLN A 25 1.364 3.700 11.884 1.00 52.31 C ATOM 363 CG GLN A 25 0.614 2.948 12.987 1.00 14.04 C ATOM 364 CD GLN A 25 -0.691 3.606 13.408 1.00 11.13 C ATOM 365 OE1 GLN A 25 -1.763 3.265 12.912 1.00 22.03 O ATOM 366 NE2 GLN A 25 -0.600 4.569 14.307 1.00 25.03 N ATOM 0 H GLN A 25 2.140 5.042 9.824 1.00 65.30 H new ATOM 0 HA GLN A 25 0.473 2.620 10.242 1.00 24.12 H new ATOM 0 HB2 GLN A 25 2.373 3.293 11.814 1.00 52.31 H new ATOM 0 HB3 GLN A 25 1.461 4.743 12.184 1.00 52.31 H new ATOM 0 HG2 GLN A 25 0.404 1.935 12.644 1.00 14.04 H new ATOM 0 HG3 GLN A 25 1.263 2.861 13.859 1.00 14.04 H new ATOM 0 HE21 GLN A 25 0.309 4.821 14.694 1.00 25.03 H new ATOM 0 HE22 GLN A 25 -1.439 5.061 14.615 1.00 25.03 H new ATOM 375 N ILE A 26 -1.685 3.826 10.097 1.00 31.22 N ATOM 376 CA ILE A 26 -2.991 4.489 10.052 1.00 71.05 C ATOM 377 C ILE A 26 -4.103 3.538 10.504 1.00 21.23 C ATOM 378 O ILE A 26 -3.859 2.353 10.757 1.00 73.02 O ATOM 379 CB ILE A 26 -3.344 5.010 8.631 1.00 62.12 C ATOM 380 CG1 ILE A 26 -3.479 3.842 7.637 1.00 45.21 C ATOM 381 CG2 ILE A 26 -2.305 6.020 8.143 1.00 53.32 C ATOM 382 CD1 ILE A 26 -3.993 4.261 6.275 1.00 13.03 C ATOM 0 H ILE A 26 -1.710 2.837 9.849 1.00 31.22 H new ATOM 0 HA ILE A 26 -2.920 5.339 10.730 1.00 71.05 H new ATOM 0 HB ILE A 26 -4.306 5.519 8.690 1.00 62.12 H new ATOM 0 HG12 ILE A 26 -2.507 3.363 7.518 1.00 45.21 H new ATOM 0 HG13 ILE A 26 -4.153 3.095 8.056 1.00 45.21 H new ATOM 0 HG21 ILE A 26 -2.576 6.368 7.146 1.00 53.32 H new ATOM 0 HG22 ILE A 26 -2.272 6.868 8.827 1.00 53.32 H new ATOM 0 HG23 ILE A 26 -1.325 5.545 8.107 1.00 53.32 H new ATOM 0 HD11 ILE A 26 -4.062 3.387 5.628 1.00 13.03 H new ATOM 0 HD12 ILE A 26 -4.979 4.713 6.382 1.00 13.03 H new ATOM 0 HD13 ILE A 26 -3.308 4.985 5.834 1.00 13.03 H new ATOM 394 N GLY A 27 -5.320 4.069 10.598 1.00 74.02 N ATOM 395 CA GLY A 27 -6.481 3.262 10.926 1.00 20.42 C ATOM 396 C GLY A 27 -7.518 3.259 9.814 1.00 2.14 C ATOM 397 O GLY A 27 -7.371 3.972 8.817 1.00 74.34 O ATOM 0 H GLY A 27 -5.523 5.058 10.450 1.00 74.02 H new ATOM 0 HA2 GLY A 27 -6.164 2.239 11.126 1.00 20.42 H new ATOM 0 HA3 GLY A 27 -6.936 3.640 11.842 1.00 20.42 H new ATOM 401 N ASP A 28 -8.566 2.460 10.001 1.00 31.15 N ATOM 402 CA ASP A 28 -9.653 2.309 9.026 1.00 34.21 C ATOM 403 C ASP A 28 -10.224 3.664 8.604 1.00 31.44 C ATOM 404 O ASP A 28 -10.428 3.926 7.415 1.00 12.43 O ATOM 405 CB ASP A 28 -10.762 1.440 9.636 1.00 34.13 C ATOM 406 CG ASP A 28 -11.949 1.232 8.710 1.00 75.34 C ATOM 407 OD1 ASP A 28 -12.873 2.077 8.719 1.00 23.31 O ATOM 408 OD2 ASP A 28 -11.977 0.215 7.994 1.00 53.42 O ATOM 0 H ASP A 28 -8.689 1.893 10.840 1.00 31.15 H new ATOM 0 HA ASP A 28 -9.250 1.829 8.134 1.00 34.21 H new ATOM 0 HB2 ASP A 28 -10.346 0.469 9.903 1.00 34.13 H new ATOM 0 HB3 ASP A 28 -11.109 1.903 10.560 1.00 34.13 H new ATOM 413 N SER A 29 -10.472 4.527 9.584 1.00 54.22 N ATOM 414 CA SER A 29 -11.039 5.848 9.327 1.00 21.31 C ATOM 415 C SER A 29 -10.058 6.716 8.540 1.00 41.54 C ATOM 416 O SER A 29 -10.460 7.602 7.783 1.00 74.15 O ATOM 417 CB SER A 29 -11.409 6.536 10.648 1.00 34.31 C ATOM 418 OG SER A 29 -11.989 7.814 10.425 1.00 43.40 O ATOM 0 H SER A 29 -10.288 4.335 10.569 1.00 54.22 H new ATOM 0 HA SER A 29 -11.942 5.720 8.730 1.00 21.31 H new ATOM 0 HB2 SER A 29 -12.108 5.910 11.202 1.00 34.31 H new ATOM 0 HB3 SER A 29 -10.518 6.643 11.266 1.00 34.31 H new ATOM 0 HG SER A 29 -12.215 8.225 11.285 1.00 43.40 H new ATOM 424 N GLU A 30 -8.769 6.454 8.718 1.00 22.53 N ATOM 425 CA GLU A 30 -7.734 7.249 8.075 1.00 43.33 C ATOM 426 C GLU A 30 -7.519 6.816 6.632 1.00 61.10 C ATOM 427 O GLU A 30 -6.865 7.520 5.873 1.00 55.51 O ATOM 428 CB GLU A 30 -6.416 7.136 8.838 1.00 31.22 C ATOM 429 CG GLU A 30 -6.472 7.680 10.257 1.00 45.40 C ATOM 430 CD GLU A 30 -5.123 7.605 10.943 1.00 2.12 C ATOM 431 OE1 GLU A 30 -4.281 8.493 10.701 1.00 44.15 O ATOM 432 OE2 GLU A 30 -4.894 6.649 11.705 1.00 43.52 O ATOM 0 H GLU A 30 -8.417 5.696 9.303 1.00 22.53 H new ATOM 0 HA GLU A 30 -8.070 8.286 8.083 1.00 43.33 H new ATOM 0 HB2 GLU A 30 -6.118 6.088 8.873 1.00 31.22 H new ATOM 0 HB3 GLU A 30 -5.642 7.669 8.286 1.00 31.22 H new ATOM 0 HG2 GLU A 30 -6.812 8.715 10.236 1.00 45.40 H new ATOM 0 HG3 GLU A 30 -7.205 7.116 10.834 1.00 45.40 H new ATOM 439 N PHE A 31 -8.062 5.661 6.264 1.00 54.44 N ATOM 440 CA PHE A 31 -7.868 5.111 4.924 1.00 73.31 C ATOM 441 C PHE A 31 -8.204 6.148 3.847 1.00 72.15 C ATOM 442 O PHE A 31 -7.327 6.582 3.099 1.00 62.03 O ATOM 443 CB PHE A 31 -8.732 3.854 4.749 1.00 60.34 C ATOM 444 CG PHE A 31 -8.628 3.211 3.387 1.00 61.04 C ATOM 445 CD1 PHE A 31 -7.491 2.504 3.023 1.00 12.43 C ATOM 446 CD2 PHE A 31 -9.670 3.308 2.473 1.00 51.31 C ATOM 447 CE1 PHE A 31 -7.397 1.907 1.781 1.00 25.13 C ATOM 448 CE2 PHE A 31 -9.579 2.713 1.230 1.00 21.21 C ATOM 449 CZ PHE A 31 -8.442 2.014 0.883 1.00 0.22 C ATOM 0 H PHE A 31 -8.641 5.085 6.875 1.00 54.44 H new ATOM 0 HA PHE A 31 -6.818 4.842 4.809 1.00 73.31 H new ATOM 0 HB2 PHE A 31 -8.446 3.123 5.505 1.00 60.34 H new ATOM 0 HB3 PHE A 31 -9.774 4.115 4.936 1.00 60.34 H new ATOM 0 HD1 PHE A 31 -6.670 2.419 3.719 1.00 12.43 H new ATOM 0 HD2 PHE A 31 -10.562 3.856 2.738 1.00 51.31 H new ATOM 0 HE1 PHE A 31 -6.507 1.357 1.512 1.00 25.13 H new ATOM 0 HE2 PHE A 31 -10.398 2.795 0.530 1.00 21.21 H new ATOM 0 HZ PHE A 31 -8.368 1.551 -0.090 1.00 0.22 H new ATOM 459 N ASP A 32 -9.459 6.589 3.824 1.00 62.13 N ATOM 460 CA ASP A 32 -9.931 7.538 2.814 1.00 70.21 C ATOM 461 C ASP A 32 -9.108 8.824 2.853 1.00 35.13 C ATOM 462 O ASP A 32 -8.633 9.309 1.824 1.00 52.05 O ATOM 463 CB ASP A 32 -11.413 7.871 3.045 1.00 62.20 C ATOM 464 CG ASP A 32 -12.301 6.637 3.069 1.00 54.14 C ATOM 465 OD1 ASP A 32 -12.453 6.030 4.154 1.00 65.44 O ATOM 466 OD2 ASP A 32 -12.853 6.268 2.007 1.00 24.04 O ATOM 0 H ASP A 32 -10.172 6.304 4.496 1.00 62.13 H new ATOM 0 HA ASP A 32 -9.814 7.074 1.835 1.00 70.21 H new ATOM 0 HB2 ASP A 32 -11.517 8.405 3.989 1.00 62.20 H new ATOM 0 HB3 ASP A 32 -11.756 8.544 2.259 1.00 62.20 H new ATOM 471 N ASN A 33 -8.932 9.354 4.057 1.00 61.23 N ATOM 472 CA ASN A 33 -8.231 10.623 4.264 1.00 51.43 C ATOM 473 C ASN A 33 -6.784 10.551 3.771 1.00 60.44 C ATOM 474 O ASN A 33 -6.351 11.363 2.956 1.00 25.31 O ATOM 475 CB ASN A 33 -8.264 11.014 5.751 1.00 70.32 C ATOM 476 CG ASN A 33 -9.674 11.302 6.247 1.00 1.31 C ATOM 477 OD1 ASN A 33 -10.167 12.425 6.133 1.00 42.43 O ATOM 478 ND2 ASN A 33 -10.329 10.292 6.811 1.00 23.12 N ATOM 0 H ASN A 33 -9.268 8.921 4.917 1.00 61.23 H new ATOM 0 HA ASN A 33 -8.747 11.386 3.681 1.00 51.43 H new ATOM 0 HB2 ASN A 33 -7.831 10.209 6.345 1.00 70.32 H new ATOM 0 HB3 ASN A 33 -7.641 11.895 5.906 1.00 70.32 H new ATOM 0 HD21 ASN A 33 -11.274 10.433 7.168 1.00 23.12 H new ATOM 0 HD22 ASN A 33 -9.886 9.376 6.887 1.00 23.12 H new ATOM 485 N LYS A 34 -6.055 9.554 4.248 1.00 53.34 N ATOM 486 CA LYS A 34 -4.633 9.417 3.938 1.00 62.34 C ATOM 487 C LYS A 34 -4.416 9.098 2.462 1.00 44.42 C ATOM 488 O LYS A 34 -3.413 9.510 1.880 1.00 14.24 O ATOM 489 CB LYS A 34 -3.992 8.351 4.837 1.00 52.34 C ATOM 490 CG LYS A 34 -3.982 8.735 6.319 1.00 64.21 C ATOM 491 CD LYS A 34 -3.128 9.977 6.582 1.00 12.01 C ATOM 492 CE LYS A 34 -3.153 10.399 8.050 1.00 33.31 C ATOM 493 NZ LYS A 34 -2.554 9.375 8.947 1.00 74.22 N ATOM 0 H LYS A 34 -6.424 8.822 4.855 1.00 53.34 H new ATOM 0 HA LYS A 34 -4.146 10.372 4.138 1.00 62.34 H new ATOM 0 HB2 LYS A 34 -4.531 7.411 4.716 1.00 52.34 H new ATOM 0 HB3 LYS A 34 -2.968 8.176 4.507 1.00 52.34 H new ATOM 0 HG2 LYS A 34 -5.003 8.919 6.653 1.00 64.21 H new ATOM 0 HG3 LYS A 34 -3.600 7.901 6.907 1.00 64.21 H new ATOM 0 HD2 LYS A 34 -2.099 9.778 6.281 1.00 12.01 H new ATOM 0 HD3 LYS A 34 -3.487 10.800 5.964 1.00 12.01 H new ATOM 0 HE2 LYS A 34 -2.612 11.338 8.164 1.00 33.31 H new ATOM 0 HE3 LYS A 34 -4.183 10.586 8.354 1.00 33.31 H new ATOM 0 HZ1 LYS A 34 -2.073 9.846 9.739 1.00 74.22 H new ATOM 0 HZ2 LYS A 34 -3.304 8.756 9.316 1.00 74.22 H new ATOM 0 HZ3 LYS A 34 -1.866 8.806 8.414 1.00 74.22 H new ATOM 507 N VAL A 35 -5.359 8.378 1.852 1.00 65.01 N ATOM 508 CA VAL A 35 -5.301 8.130 0.411 1.00 61.31 C ATOM 509 C VAL A 35 -5.487 9.442 -0.353 1.00 33.34 C ATOM 510 O VAL A 35 -4.739 9.743 -1.286 1.00 5.44 O ATOM 511 CB VAL A 35 -6.370 7.103 -0.058 1.00 33.00 C ATOM 512 CG1 VAL A 35 -6.375 6.983 -1.584 1.00 4.03 C ATOM 513 CG2 VAL A 35 -6.133 5.733 0.580 1.00 24.24 C ATOM 0 H VAL A 35 -6.161 7.962 2.325 1.00 65.01 H new ATOM 0 HA VAL A 35 -4.320 7.706 0.199 1.00 61.31 H new ATOM 0 HB VAL A 35 -7.345 7.467 0.265 1.00 33.00 H new ATOM 0 HG11 VAL A 35 -7.130 6.259 -1.890 1.00 4.03 H new ATOM 0 HG12 VAL A 35 -6.603 7.954 -2.025 1.00 4.03 H new ATOM 0 HG13 VAL A 35 -5.395 6.651 -1.926 1.00 4.03 H new ATOM 0 HG21 VAL A 35 -6.895 5.034 0.235 1.00 24.24 H new ATOM 0 HG22 VAL A 35 -5.147 5.365 0.296 1.00 24.24 H new ATOM 0 HG23 VAL A 35 -6.188 5.823 1.665 1.00 24.24 H new ATOM 523 N THR A 36 -6.473 10.234 0.065 1.00 55.33 N ATOM 524 CA THR A 36 -6.768 11.511 -0.585 1.00 14.20 C ATOM 525 C THR A 36 -5.731 12.575 -0.213 1.00 73.41 C ATOM 526 O THR A 36 -5.629 13.613 -0.869 1.00 31.02 O ATOM 527 CB THR A 36 -8.185 12.013 -0.221 1.00 34.14 C ATOM 528 OG1 THR A 36 -8.346 12.045 1.205 1.00 33.31 O ATOM 529 CG2 THR A 36 -9.257 11.118 -0.837 1.00 33.35 C ATOM 0 H THR A 36 -7.083 10.014 0.853 1.00 55.33 H new ATOM 0 HA THR A 36 -6.724 11.340 -1.661 1.00 14.20 H new ATOM 0 HB THR A 36 -8.300 13.020 -0.623 1.00 34.14 H new ATOM 0 HG1 THR A 36 -7.494 11.825 1.635 1.00 33.31 H new ATOM 0 HG21 THR A 36 -10.244 11.493 -0.566 1.00 33.35 H new ATOM 0 HG22 THR A 36 -9.154 11.120 -1.922 1.00 33.35 H new ATOM 0 HG23 THR A 36 -9.140 10.101 -0.464 1.00 33.35 H new ATOM 537 N SER A 37 -4.968 12.310 0.845 1.00 75.35 N ATOM 538 CA SER A 37 -3.911 13.217 1.290 1.00 53.21 C ATOM 539 C SER A 37 -2.685 13.129 0.377 1.00 35.33 C ATOM 540 O SER A 37 -1.686 13.814 0.609 1.00 60.04 O ATOM 541 CB SER A 37 -3.516 12.899 2.740 1.00 73.34 C ATOM 542 OG SER A 37 -2.528 13.800 3.225 1.00 4.15 O ATOM 0 H SER A 37 -5.063 11.469 1.414 1.00 75.35 H new ATOM 0 HA SER A 37 -4.297 14.235 1.240 1.00 53.21 H new ATOM 0 HB2 SER A 37 -4.399 12.949 3.377 1.00 73.34 H new ATOM 0 HB3 SER A 37 -3.138 11.878 2.799 1.00 73.34 H new ATOM 0 HG SER A 37 -1.935 14.062 2.490 1.00 4.15 H new ATOM 548 N CYS A 38 -2.760 12.280 -0.644 1.00 21.34 N ATOM 549 CA CYS A 38 -1.683 12.148 -1.619 1.00 2.22 C ATOM 550 C CYS A 38 -1.374 13.500 -2.268 1.00 15.20 C ATOM 551 O CYS A 38 -2.259 14.128 -2.855 1.00 24.15 O ATOM 552 CB CYS A 38 -2.087 11.130 -2.689 1.00 14.25 C ATOM 553 SG CYS A 38 -3.668 11.500 -3.483 1.00 72.12 S ATOM 0 H CYS A 38 -3.559 11.671 -0.818 1.00 21.34 H new ATOM 0 HA CYS A 38 -0.784 11.801 -1.109 1.00 2.22 H new ATOM 0 HB2 CYS A 38 -1.309 11.089 -3.451 1.00 14.25 H new ATOM 0 HB3 CYS A 38 -2.141 10.141 -2.235 1.00 14.25 H new ATOM 0 HG CYS A 38 -4.636 10.987 -2.783 1.00 72.12 H new ATOM 559 N ASN A 39 -0.123 13.942 -2.146 1.00 13.24 N ATOM 560 CA ASN A 39 0.313 15.218 -2.717 1.00 0.45 C ATOM 561 C ASN A 39 0.033 15.267 -4.220 1.00 65.12 C ATOM 562 O ASN A 39 -0.911 15.926 -4.666 1.00 21.44 O ATOM 563 CB ASN A 39 1.810 15.443 -2.440 1.00 32.33 C ATOM 564 CG ASN A 39 2.368 16.690 -3.113 1.00 44.03 C ATOM 565 OD1 ASN A 39 1.658 17.674 -3.331 1.00 71.15 O ATOM 566 ND2 ASN A 39 3.646 16.655 -3.454 1.00 1.11 N ATOM 0 H ASN A 39 0.611 13.433 -1.654 1.00 13.24 H new ATOM 0 HA ASN A 39 -0.255 16.018 -2.241 1.00 0.45 H new ATOM 0 HB2 ASN A 39 1.965 15.519 -1.364 1.00 32.33 H new ATOM 0 HB3 ASN A 39 2.370 14.573 -2.782 1.00 32.33 H new ATOM 0 HD21 ASN A 39 4.074 17.459 -3.913 1.00 1.11 H new ATOM 0 HD22 ASN A 39 4.204 15.824 -3.258 1.00 1.11 H new ATOM 573 N ASP A 40 0.861 14.572 -4.993 1.00 54.44 N ATOM 574 CA ASP A 40 0.672 14.463 -6.435 1.00 12.42 C ATOM 575 C ASP A 40 1.475 13.283 -6.961 1.00 12.34 C ATOM 576 O ASP A 40 2.555 12.995 -6.442 1.00 10.14 O ATOM 577 CB ASP A 40 1.089 15.755 -7.151 1.00 64.13 C ATOM 578 CG ASP A 40 0.728 15.761 -8.632 1.00 72.33 C ATOM 579 OD1 ASP A 40 -0.116 14.937 -9.058 1.00 14.14 O ATOM 580 OD2 ASP A 40 1.265 16.606 -9.375 1.00 64.12 O ATOM 0 H ASP A 40 1.677 14.071 -4.640 1.00 54.44 H new ATOM 0 HA ASP A 40 -0.387 14.303 -6.636 1.00 12.42 H new ATOM 0 HB2 ASP A 40 0.611 16.604 -6.663 1.00 64.13 H new ATOM 0 HB3 ASP A 40 2.165 15.891 -7.045 1.00 64.13 H new ATOM 585 N ASN A 41 0.931 12.608 -7.976 1.00 51.43 N ATOM 586 CA ASN A 41 1.517 11.390 -8.553 1.00 10.33 C ATOM 587 C ASN A 41 1.982 10.414 -7.466 1.00 51.42 C ATOM 588 O ASN A 41 2.874 9.591 -7.694 1.00 32.31 O ATOM 589 CB ASN A 41 2.664 11.717 -9.537 1.00 23.44 C ATOM 590 CG ASN A 41 3.892 12.338 -8.885 1.00 71.13 C ATOM 591 OD1 ASN A 41 4.022 13.560 -8.811 1.00 42.10 O ATOM 592 ND2 ASN A 41 4.800 11.502 -8.407 1.00 55.42 N ATOM 0 H ASN A 41 0.062 12.893 -8.427 1.00 51.43 H new ATOM 0 HA ASN A 41 0.728 10.897 -9.121 1.00 10.33 H new ATOM 0 HB2 ASN A 41 2.962 10.801 -10.047 1.00 23.44 H new ATOM 0 HB3 ASN A 41 2.289 12.399 -10.300 1.00 23.44 H new ATOM 0 HD21 ASN A 41 5.642 11.865 -7.959 1.00 55.42 H new ATOM 0 HD22 ASN A 41 4.658 10.495 -8.486 1.00 55.42 H new ATOM 599 N ILE A 42 1.332 10.482 -6.302 1.00 33.30 N ATOM 600 CA ILE A 42 1.677 9.632 -5.170 1.00 4.05 C ATOM 601 C ILE A 42 0.916 8.316 -5.249 1.00 73.42 C ATOM 602 O ILE A 42 -0.318 8.297 -5.330 1.00 52.04 O ATOM 603 CB ILE A 42 1.367 10.318 -3.810 1.00 44.54 C ATOM 604 CG1 ILE A 42 2.187 11.612 -3.649 1.00 43.12 C ATOM 605 CG2 ILE A 42 1.638 9.363 -2.644 1.00 54.03 C ATOM 606 CD1 ILE A 42 3.686 11.395 -3.625 1.00 62.42 C ATOM 0 H ILE A 42 0.559 11.123 -6.122 1.00 33.30 H new ATOM 0 HA ILE A 42 2.750 9.448 -5.223 1.00 4.05 H new ATOM 0 HB ILE A 42 0.309 10.580 -3.800 1.00 44.54 H new ATOM 0 HG12 ILE A 42 1.942 12.289 -4.467 1.00 43.12 H new ATOM 0 HG13 ILE A 42 1.887 12.107 -2.725 1.00 43.12 H new ATOM 0 HG21 ILE A 42 1.414 9.865 -1.703 1.00 54.03 H new ATOM 0 HG22 ILE A 42 1.007 8.480 -2.743 1.00 54.03 H new ATOM 0 HG23 ILE A 42 2.686 9.064 -2.655 1.00 54.03 H new ATOM 0 HD11 ILE A 42 4.191 12.354 -3.509 1.00 62.42 H new ATOM 0 HD12 ILE A 42 3.946 10.745 -2.790 1.00 62.42 H new ATOM 0 HD13 ILE A 42 4.001 10.930 -4.559 1.00 62.42 H new ATOM 618 N LEU A 43 1.661 7.225 -5.241 1.00 23.40 N ATOM 619 CA LEU A 43 1.093 5.894 -5.270 1.00 3.51 C ATOM 620 C LEU A 43 0.858 5.419 -3.836 1.00 71.35 C ATOM 621 O LEU A 43 1.808 5.176 -3.081 1.00 41.12 O ATOM 622 CB LEU A 43 2.030 4.933 -6.026 1.00 23.14 C ATOM 623 CG LEU A 43 1.342 3.767 -6.759 1.00 70.43 C ATOM 624 CD1 LEU A 43 2.367 2.926 -7.515 1.00 24.15 C ATOM 625 CD2 LEU A 43 0.541 2.899 -5.791 1.00 11.32 C ATOM 0 H LEU A 43 2.681 7.240 -5.214 1.00 23.40 H new ATOM 0 HA LEU A 43 0.139 5.911 -5.796 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.600 5.509 -6.754 1.00 23.14 H new ATOM 0 HB3 LEU A 43 2.746 4.519 -5.316 1.00 23.14 H new ATOM 0 HG LEU A 43 0.645 4.192 -7.481 1.00 70.43 H new ATOM 0 HD11 LEU A 43 1.860 2.107 -8.026 1.00 24.15 H new ATOM 0 HD12 LEU A 43 2.880 3.549 -8.248 1.00 24.15 H new ATOM 0 HD13 LEU A 43 3.094 2.520 -6.812 1.00 24.15 H new ATOM 0 HD21 LEU A 43 0.067 2.085 -6.339 1.00 11.32 H new ATOM 0 HD22 LEU A 43 1.208 2.487 -5.034 1.00 11.32 H new ATOM 0 HD23 LEU A 43 -0.225 3.505 -5.308 1.00 11.32 H new ATOM 637 N ILE A 44 -0.407 5.322 -3.467 1.00 21.21 N ATOM 638 CA ILE A 44 -0.808 4.895 -2.138 1.00 0.33 C ATOM 639 C ILE A 44 -0.958 3.376 -2.090 1.00 1.13 C ATOM 640 O ILE A 44 -1.876 2.823 -2.697 1.00 21.11 O ATOM 641 CB ILE A 44 -2.158 5.539 -1.731 1.00 44.11 C ATOM 642 CG1 ILE A 44 -2.112 7.072 -1.879 1.00 12.51 C ATOM 643 CG2 ILE A 44 -2.525 5.146 -0.301 1.00 54.13 C ATOM 644 CD1 ILE A 44 -1.216 7.764 -0.876 1.00 32.53 C ATOM 0 H ILE A 44 -1.189 5.538 -4.084 1.00 21.21 H new ATOM 0 HA ILE A 44 -0.032 5.214 -1.442 1.00 0.33 H new ATOM 0 HB ILE A 44 -2.928 5.163 -2.404 1.00 44.11 H new ATOM 0 HG12 ILE A 44 -1.772 7.319 -2.885 1.00 12.51 H new ATOM 0 HG13 ILE A 44 -3.123 7.466 -1.779 1.00 12.51 H new ATOM 0 HG21 ILE A 44 -3.475 5.606 -0.030 1.00 54.13 H new ATOM 0 HG22 ILE A 44 -2.614 4.062 -0.233 1.00 54.13 H new ATOM 0 HG23 ILE A 44 -1.748 5.490 0.382 1.00 54.13 H new ATOM 0 HD11 ILE A 44 -1.240 8.840 -1.048 1.00 32.53 H new ATOM 0 HD12 ILE A 44 -1.567 7.550 0.134 1.00 32.53 H new ATOM 0 HD13 ILE A 44 -0.195 7.401 -0.989 1.00 32.53 H new ATOM 656 N LEU A 45 -0.043 2.706 -1.405 1.00 34.23 N ATOM 657 CA LEU A 45 -0.171 1.275 -1.150 1.00 63.35 C ATOM 658 C LEU A 45 -0.719 1.081 0.258 1.00 34.24 C ATOM 659 O LEU A 45 -0.442 1.890 1.137 1.00 13.44 O ATOM 660 CB LEU A 45 1.178 0.543 -1.293 1.00 24.55 C ATOM 661 CG LEU A 45 1.861 0.628 -2.673 1.00 4.33 C ATOM 662 CD1 LEU A 45 2.484 2.007 -2.896 1.00 40.51 C ATOM 663 CD2 LEU A 45 2.917 -0.469 -2.825 1.00 71.21 C ATOM 0 H LEU A 45 0.799 3.130 -1.014 1.00 34.23 H new ATOM 0 HA LEU A 45 -0.850 0.849 -1.889 1.00 63.35 H new ATOM 0 HB2 LEU A 45 1.865 0.943 -0.547 1.00 24.55 H new ATOM 0 HB3 LEU A 45 1.023 -0.509 -1.053 1.00 24.55 H new ATOM 0 HG LEU A 45 1.095 0.476 -3.433 1.00 4.33 H new ATOM 0 HD11 LEU A 45 2.958 2.038 -3.877 1.00 40.51 H new ATOM 0 HD12 LEU A 45 1.707 2.770 -2.845 1.00 40.51 H new ATOM 0 HD13 LEU A 45 3.231 2.198 -2.126 1.00 40.51 H new ATOM 0 HD21 LEU A 45 3.386 -0.390 -3.806 1.00 71.21 H new ATOM 0 HD22 LEU A 45 3.675 -0.354 -2.050 1.00 71.21 H new ATOM 0 HD23 LEU A 45 2.443 -1.446 -2.727 1.00 71.21 H new ATOM 675 N VAL A 46 -1.509 0.038 0.469 1.00 55.10 N ATOM 676 CA VAL A 46 -2.075 -0.249 1.789 1.00 62.13 C ATOM 677 C VAL A 46 -2.032 -1.747 2.070 1.00 61.44 C ATOM 678 O VAL A 46 -2.713 -2.522 1.395 1.00 23.34 O ATOM 679 CB VAL A 46 -3.544 0.250 1.913 1.00 22.25 C ATOM 680 CG1 VAL A 46 -4.113 -0.076 3.297 1.00 75.54 C ATOM 681 CG2 VAL A 46 -3.642 1.751 1.629 1.00 2.22 C ATOM 0 H VAL A 46 -1.776 -0.628 -0.256 1.00 55.10 H new ATOM 0 HA VAL A 46 -1.468 0.285 2.520 1.00 62.13 H new ATOM 0 HB VAL A 46 -4.139 -0.274 1.165 1.00 22.25 H new ATOM 0 HG11 VAL A 46 -5.141 0.282 3.361 1.00 75.54 H new ATOM 0 HG12 VAL A 46 -4.094 -1.155 3.453 1.00 75.54 H new ATOM 0 HG13 VAL A 46 -3.510 0.412 4.063 1.00 75.54 H new ATOM 0 HG21 VAL A 46 -4.679 2.072 1.723 1.00 2.22 H new ATOM 0 HG22 VAL A 46 -3.027 2.297 2.344 1.00 2.22 H new ATOM 0 HG23 VAL A 46 -3.289 1.954 0.618 1.00 2.22 H new ATOM 691 N ASP A 47 -1.221 -2.155 3.049 1.00 42.43 N ATOM 692 CA ASP A 47 -1.155 -3.561 3.450 1.00 21.44 C ATOM 693 C ASP A 47 -2.150 -3.822 4.582 1.00 42.43 C ATOM 694 O ASP A 47 -2.308 -2.999 5.492 1.00 12.42 O ATOM 695 CB ASP A 47 0.279 -3.973 3.866 1.00 24.30 C ATOM 696 CG ASP A 47 0.704 -3.479 5.248 1.00 22.41 C ATOM 697 OD1 ASP A 47 0.340 -4.115 6.267 1.00 14.02 O ATOM 698 OD2 ASP A 47 1.428 -2.466 5.323 1.00 52.22 O ATOM 0 H ASP A 47 -0.605 -1.536 3.575 1.00 42.43 H new ATOM 0 HA ASP A 47 -1.424 -4.174 2.590 1.00 21.44 H new ATOM 0 HB2 ASP A 47 0.352 -5.060 3.844 1.00 24.30 H new ATOM 0 HB3 ASP A 47 0.982 -3.592 3.126 1.00 24.30 H new ATOM 703 N PHE A 48 -2.855 -4.948 4.501 1.00 42.33 N ATOM 704 CA PHE A 48 -3.863 -5.290 5.503 1.00 51.41 C ATOM 705 C PHE A 48 -3.289 -6.158 6.617 1.00 11.14 C ATOM 706 O PHE A 48 -2.995 -7.334 6.409 1.00 42.12 O ATOM 707 CB PHE A 48 -5.062 -5.989 4.851 1.00 63.40 C ATOM 708 CG PHE A 48 -5.904 -5.059 4.022 1.00 63.52 C ATOM 709 CD1 PHE A 48 -6.860 -4.251 4.621 1.00 74.51 C ATOM 710 CD2 PHE A 48 -5.737 -4.986 2.650 1.00 12.44 C ATOM 711 CE1 PHE A 48 -7.633 -3.392 3.868 1.00 41.43 C ATOM 712 CE2 PHE A 48 -6.506 -4.128 1.893 1.00 25.51 C ATOM 713 CZ PHE A 48 -7.456 -3.330 2.502 1.00 2.02 C ATOM 0 H PHE A 48 -2.748 -5.636 3.756 1.00 42.33 H new ATOM 0 HA PHE A 48 -4.199 -4.355 5.952 1.00 51.41 H new ATOM 0 HB2 PHE A 48 -4.703 -6.803 4.222 1.00 63.40 H new ATOM 0 HB3 PHE A 48 -5.682 -6.436 5.628 1.00 63.40 H new ATOM 0 HD1 PHE A 48 -7.001 -4.295 5.691 1.00 74.51 H new ATOM 0 HD2 PHE A 48 -4.997 -5.607 2.168 1.00 12.44 H new ATOM 0 HE1 PHE A 48 -8.375 -2.770 4.347 1.00 41.43 H new ATOM 0 HE2 PHE A 48 -6.366 -4.079 0.823 1.00 25.51 H new ATOM 0 HZ PHE A 48 -8.059 -2.659 1.909 1.00 2.02 H new ATOM 836 N ARG A 57 8.460 -11.356 6.469 1.00 23.42 N ATOM 837 CA ARG A 57 9.729 -11.213 7.174 1.00 13.22 C ATOM 838 C ARG A 57 10.754 -10.470 6.308 1.00 2.21 C ATOM 839 O ARG A 57 11.289 -9.445 6.716 1.00 1.34 O ATOM 840 CB ARG A 57 10.242 -12.608 7.555 1.00 52.03 C ATOM 841 CG ARG A 57 11.553 -12.626 8.335 1.00 52.14 C ATOM 842 CD ARG A 57 11.940 -14.053 8.707 1.00 20.52 C ATOM 843 NE ARG A 57 13.262 -14.132 9.324 1.00 44.00 N ATOM 844 CZ ARG A 57 14.300 -14.773 8.787 1.00 31.14 C ATOM 845 NH1 ARG A 57 14.202 -15.317 7.576 1.00 53.13 N ATOM 846 NH2 ARG A 57 15.439 -14.857 9.461 1.00 53.41 N ATOM 0 HA ARG A 57 9.579 -10.622 8.078 1.00 13.22 H new ATOM 0 HB2 ARG A 57 9.477 -13.109 8.148 1.00 52.03 H new ATOM 0 HB3 ARG A 57 10.372 -13.192 6.644 1.00 52.03 H new ATOM 0 HG2 ARG A 57 12.344 -12.174 7.737 1.00 52.14 H new ATOM 0 HG3 ARG A 57 11.453 -12.024 9.238 1.00 52.14 H new ATOM 0 HD2 ARG A 57 11.197 -14.460 9.393 1.00 20.52 H new ATOM 0 HD3 ARG A 57 11.922 -14.676 7.812 1.00 20.52 H new ATOM 0 HE ARG A 57 13.399 -13.668 10.222 1.00 44.00 H new ATOM 0 HH11 ARG A 57 13.329 -15.245 7.054 1.00 53.13 H new ATOM 0 HH12 ARG A 57 15.000 -15.806 7.171 1.00 53.13 H new ATOM 0 HH21 ARG A 57 15.517 -14.432 10.385 1.00 53.41 H new ATOM 0 HH22 ARG A 57 16.237 -15.346 9.055 1.00 53.41 H new ATOM 860 N SER A 58 11.041 -11.013 5.128 1.00 13.32 N ATOM 861 CA SER A 58 11.918 -10.348 4.161 1.00 42.43 C ATOM 862 C SER A 58 11.189 -9.189 3.458 1.00 12.03 C ATOM 863 O SER A 58 11.760 -8.108 3.224 1.00 51.22 O ATOM 864 CB SER A 58 12.430 -11.364 3.131 1.00 30.43 C ATOM 865 OG SER A 58 13.350 -10.767 2.235 1.00 55.12 O ATOM 0 H SER A 58 10.679 -11.914 4.815 1.00 13.32 H new ATOM 0 HA SER A 58 12.768 -9.930 4.700 1.00 42.43 H new ATOM 0 HB2 SER A 58 12.908 -12.197 3.645 1.00 30.43 H new ATOM 0 HB3 SER A 58 11.589 -11.775 2.572 1.00 30.43 H new ATOM 0 HG SER A 58 13.661 -11.437 1.591 1.00 55.12 H new ATOM 871 N LEU A 59 9.919 -9.429 3.135 1.00 44.02 N ATOM 872 CA LEU A 59 9.129 -8.516 2.312 1.00 42.42 C ATOM 873 C LEU A 59 9.045 -7.112 2.897 1.00 32.13 C ATOM 874 O LEU A 59 9.301 -6.150 2.189 1.00 41.11 O ATOM 875 CB LEU A 59 7.718 -9.080 2.061 1.00 24.20 C ATOM 876 CG LEU A 59 7.557 -9.886 0.760 1.00 42.12 C ATOM 877 CD1 LEU A 59 7.650 -8.965 -0.451 1.00 70.44 C ATOM 878 CD2 LEU A 59 8.599 -11.002 0.668 1.00 50.14 C ATOM 0 H LEU A 59 9.410 -10.260 3.436 1.00 44.02 H new ATOM 0 HA LEU A 59 9.652 -8.432 1.359 1.00 42.42 H new ATOM 0 HB2 LEU A 59 7.444 -9.718 2.901 1.00 24.20 H new ATOM 0 HB3 LEU A 59 7.010 -8.251 2.046 1.00 24.20 H new ATOM 0 HG LEU A 59 6.571 -10.350 0.771 1.00 42.12 H new ATOM 0 HD11 LEU A 59 7.534 -9.550 -1.363 1.00 70.44 H new ATOM 0 HD12 LEU A 59 6.861 -8.215 -0.399 1.00 70.44 H new ATOM 0 HD13 LEU A 59 8.621 -8.470 -0.458 1.00 70.44 H new ATOM 0 HD21 LEU A 59 8.460 -11.554 -0.262 1.00 50.14 H new ATOM 0 HD22 LEU A 59 9.599 -10.569 0.687 1.00 50.14 H new ATOM 0 HD23 LEU A 59 8.482 -11.680 1.513 1.00 50.14 H new ATOM 890 N GLU A 60 8.700 -6.990 4.174 1.00 71.44 N ATOM 891 CA GLU A 60 8.528 -5.672 4.790 1.00 31.32 C ATOM 892 C GLU A 60 9.804 -4.819 4.644 1.00 24.03 C ATOM 893 O GLU A 60 9.732 -3.706 4.123 1.00 13.31 O ATOM 894 CB GLU A 60 8.095 -5.807 6.258 1.00 12.02 C ATOM 895 CG GLU A 60 6.698 -6.394 6.423 1.00 1.23 C ATOM 896 CD GLU A 60 6.328 -6.629 7.876 1.00 2.02 C ATOM 897 OE1 GLU A 60 6.297 -5.645 8.650 1.00 13.44 O ATOM 898 OE2 GLU A 60 6.089 -7.795 8.251 1.00 51.04 O ATOM 0 H GLU A 60 8.534 -7.777 4.801 1.00 71.44 H new ATOM 0 HA GLU A 60 7.731 -5.150 4.261 1.00 31.32 H new ATOM 0 HB2 GLU A 60 8.811 -6.438 6.784 1.00 12.02 H new ATOM 0 HB3 GLU A 60 8.127 -4.825 6.731 1.00 12.02 H new ATOM 0 HG2 GLU A 60 5.970 -5.720 5.972 1.00 1.23 H new ATOM 0 HG3 GLU A 60 6.639 -7.337 5.880 1.00 1.23 H new ATOM 905 N PRO A 61 10.989 -5.325 5.074 1.00 63.14 N ATOM 906 CA PRO A 61 12.259 -4.640 4.827 1.00 53.03 C ATOM 907 C PRO A 61 12.418 -4.255 3.356 1.00 13.35 C ATOM 908 O PRO A 61 12.728 -3.105 3.034 1.00 63.45 O ATOM 909 CB PRO A 61 13.334 -5.664 5.215 1.00 4.15 C ATOM 910 CG PRO A 61 12.659 -6.675 6.078 1.00 3.25 C ATOM 911 CD PRO A 61 11.169 -6.556 5.863 1.00 12.43 C ATOM 0 HA PRO A 61 12.325 -3.712 5.395 1.00 53.03 H new ATOM 0 HB2 PRO A 61 13.762 -6.133 4.329 1.00 4.15 H new ATOM 0 HB3 PRO A 61 14.154 -5.183 5.748 1.00 4.15 H new ATOM 0 HG2 PRO A 61 13.001 -7.679 5.827 1.00 3.25 H new ATOM 0 HG3 PRO A 61 12.907 -6.507 7.126 1.00 3.25 H new ATOM 0 HD2 PRO A 61 10.777 -7.424 5.333 1.00 12.43 H new ATOM 0 HD3 PRO A 61 10.638 -6.496 6.813 1.00 12.43 H new ATOM 919 N GLN A 62 12.214 -5.233 2.465 1.00 0.43 N ATOM 920 CA GLN A 62 12.286 -4.978 1.021 1.00 2.31 C ATOM 921 C GLN A 62 11.355 -3.832 0.597 1.00 34.11 C ATOM 922 O GLN A 62 11.735 -2.972 -0.207 1.00 64.34 O ATOM 923 CB GLN A 62 11.940 -6.248 0.236 1.00 15.33 C ATOM 924 CG GLN A 62 12.896 -7.404 0.494 1.00 43.03 C ATOM 925 CD GLN A 62 12.674 -8.572 -0.455 1.00 41.14 C ATOM 926 OE1 GLN A 62 13.259 -8.627 -1.536 1.00 74.54 O ATOM 927 NE2 GLN A 62 11.829 -9.512 -0.057 1.00 13.13 N ATOM 0 H GLN A 62 12.000 -6.199 2.715 1.00 0.43 H new ATOM 0 HA GLN A 62 13.310 -4.680 0.794 1.00 2.31 H new ATOM 0 HB2 GLN A 62 10.928 -6.560 0.494 1.00 15.33 H new ATOM 0 HB3 GLN A 62 11.941 -6.018 -0.829 1.00 15.33 H new ATOM 0 HG2 GLN A 62 13.922 -7.050 0.395 1.00 43.03 H new ATOM 0 HG3 GLN A 62 12.775 -7.748 1.521 1.00 43.03 H new ATOM 0 HE21 GLN A 62 11.364 -9.430 0.847 1.00 13.13 H new ATOM 0 HE22 GLN A 62 11.644 -10.318 -0.655 1.00 13.13 H new ATOM 936 N LEU A 63 10.147 -3.814 1.151 1.00 12.23 N ATOM 937 CA LEU A 63 9.155 -2.800 0.808 1.00 4.34 C ATOM 938 C LEU A 63 9.591 -1.438 1.319 1.00 72.52 C ATOM 939 O LEU A 63 9.411 -0.428 0.642 1.00 42.14 O ATOM 940 CB LEU A 63 7.777 -3.161 1.381 1.00 62.41 C ATOM 941 CG LEU A 63 7.141 -4.433 0.800 1.00 41.20 C ATOM 942 CD1 LEU A 63 5.754 -4.669 1.396 1.00 64.24 C ATOM 943 CD2 LEU A 63 7.075 -4.351 -0.723 1.00 53.40 C ATOM 0 H LEU A 63 9.830 -4.493 1.843 1.00 12.23 H new ATOM 0 HA LEU A 63 9.075 -2.762 -0.278 1.00 4.34 H new ATOM 0 HB2 LEU A 63 7.870 -3.281 2.460 1.00 62.41 H new ATOM 0 HB3 LEU A 63 7.099 -2.324 1.210 1.00 62.41 H new ATOM 0 HG LEU A 63 7.769 -5.283 1.068 1.00 41.20 H new ATOM 0 HD11 LEU A 63 5.324 -5.575 0.969 1.00 64.24 H new ATOM 0 HD12 LEU A 63 5.837 -4.781 2.477 1.00 64.24 H new ATOM 0 HD13 LEU A 63 5.110 -3.820 1.167 1.00 64.24 H new ATOM 0 HD21 LEU A 63 6.622 -5.261 -1.117 1.00 53.40 H new ATOM 0 HD22 LEU A 63 6.474 -3.490 -1.015 1.00 53.40 H new ATOM 0 HD23 LEU A 63 8.082 -4.244 -1.126 1.00 53.40 H new ATOM 955 N GLU A 64 10.175 -1.420 2.510 1.00 10.23 N ATOM 956 CA GLU A 64 10.688 -0.186 3.084 1.00 14.24 C ATOM 957 C GLU A 64 11.889 0.308 2.286 1.00 60.23 C ATOM 958 O GLU A 64 12.132 1.509 2.202 1.00 23.34 O ATOM 959 CB GLU A 64 11.061 -0.380 4.556 1.00 63.32 C ATOM 960 CG GLU A 64 9.873 -0.732 5.446 1.00 44.32 C ATOM 961 CD GLU A 64 10.209 -0.667 6.925 1.00 62.00 C ATOM 962 OE1 GLU A 64 10.149 0.441 7.495 1.00 12.00 O ATOM 963 OE2 GLU A 64 10.546 -1.717 7.515 1.00 2.11 O ATOM 0 H GLU A 64 10.304 -2.245 3.095 1.00 10.23 H new ATOM 0 HA GLU A 64 9.902 0.568 3.034 1.00 14.24 H new ATOM 0 HB2 GLU A 64 11.808 -1.170 4.632 1.00 63.32 H new ATOM 0 HB3 GLU A 64 11.525 0.534 4.928 1.00 63.32 H new ATOM 0 HG2 GLU A 64 9.051 -0.049 5.234 1.00 44.32 H new ATOM 0 HG3 GLU A 64 9.525 -1.735 5.200 1.00 44.32 H new ATOM 970 N LYS A 65 12.625 -0.626 1.688 1.00 74.52 N ATOM 971 CA LYS A 65 13.751 -0.288 0.828 1.00 11.34 C ATOM 972 C LYS A 65 13.237 0.453 -0.399 1.00 4.23 C ATOM 973 O LYS A 65 13.677 1.570 -0.708 1.00 40.10 O ATOM 974 CB LYS A 65 14.496 -1.564 0.396 1.00 34.45 C ATOM 975 CG LYS A 65 15.714 -1.316 -0.501 1.00 73.13 C ATOM 976 CD LYS A 65 17.023 -1.267 0.293 1.00 2.13 C ATOM 977 CE LYS A 65 17.092 -0.065 1.232 1.00 15.51 C ATOM 978 NZ LYS A 65 17.092 1.222 0.488 1.00 12.32 N ATOM 0 H LYS A 65 12.458 -1.628 1.786 1.00 74.52 H new ATOM 0 HA LYS A 65 14.445 0.348 1.377 1.00 11.34 H new ATOM 0 HB2 LYS A 65 14.821 -2.100 1.288 1.00 34.45 H new ATOM 0 HB3 LYS A 65 13.799 -2.216 -0.131 1.00 34.45 H new ATOM 0 HG2 LYS A 65 15.776 -2.105 -1.251 1.00 73.13 H new ATOM 0 HG3 LYS A 65 15.582 -0.376 -1.037 1.00 73.13 H new ATOM 0 HD2 LYS A 65 17.127 -2.184 0.873 1.00 2.13 H new ATOM 0 HD3 LYS A 65 17.864 -1.231 -0.400 1.00 2.13 H new ATOM 0 HE2 LYS A 65 16.243 -0.089 1.915 1.00 15.51 H new ATOM 0 HE3 LYS A 65 17.993 -0.132 1.841 1.00 15.51 H new ATOM 0 HZ1 LYS A 65 16.614 1.951 1.055 1.00 12.32 H new ATOM 0 HZ2 LYS A 65 18.072 1.516 0.302 1.00 12.32 H new ATOM 0 HZ3 LYS A 65 16.590 1.101 -0.415 1.00 12.32 H new ATOM 992 N LEU A 66 12.279 -0.173 -1.083 1.00 34.22 N ATOM 993 CA LEU A 66 11.658 0.430 -2.252 1.00 42.43 C ATOM 994 C LEU A 66 10.948 1.720 -1.860 1.00 43.31 C ATOM 995 O LEU A 66 10.891 2.669 -2.638 1.00 53.34 O ATOM 996 CB LEU A 66 10.665 -0.535 -2.912 1.00 15.40 C ATOM 997 CG LEU A 66 11.261 -1.852 -3.425 1.00 33.32 C ATOM 998 CD1 LEU A 66 10.236 -2.600 -4.271 1.00 21.23 C ATOM 999 CD2 LEU A 66 12.547 -1.603 -4.209 1.00 2.12 C ATOM 0 H LEU A 66 11.919 -1.097 -0.844 1.00 34.22 H new ATOM 0 HA LEU A 66 12.443 0.655 -2.974 1.00 42.43 H new ATOM 0 HB2 LEU A 66 9.880 -0.768 -2.193 1.00 15.40 H new ATOM 0 HB3 LEU A 66 10.189 -0.022 -3.748 1.00 15.40 H new ATOM 0 HG LEU A 66 11.516 -2.473 -2.567 1.00 33.32 H new ATOM 0 HD11 LEU A 66 10.671 -3.533 -4.629 1.00 21.23 H new ATOM 0 HD12 LEU A 66 9.356 -2.819 -3.667 1.00 21.23 H new ATOM 0 HD13 LEU A 66 9.948 -1.984 -5.123 1.00 21.23 H new ATOM 0 HD21 LEU A 66 12.948 -2.553 -4.561 1.00 2.12 H new ATOM 0 HD22 LEU A 66 12.334 -0.960 -5.063 1.00 2.12 H new ATOM 0 HD23 LEU A 66 13.279 -1.117 -3.563 1.00 2.12 H new ATOM 1011 N ALA A 67 10.420 1.746 -0.639 1.00 45.44 N ATOM 1012 CA ALA A 67 9.769 2.937 -0.111 1.00 53.44 C ATOM 1013 C ALA A 67 10.775 4.075 -0.017 1.00 20.43 C ATOM 1014 O ALA A 67 10.532 5.160 -0.517 1.00 70.14 O ATOM 1015 CB ALA A 67 9.142 2.654 1.252 1.00 12.45 C ATOM 0 H ALA A 67 10.431 0.953 0.003 1.00 45.44 H new ATOM 0 HA ALA A 67 8.969 3.230 -0.790 1.00 53.44 H new ATOM 0 HB1 ALA A 67 8.662 3.558 1.626 1.00 12.45 H new ATOM 0 HB2 ALA A 67 8.399 1.863 1.153 1.00 12.45 H new ATOM 0 HB3 ALA A 67 9.917 2.339 1.951 1.00 12.45 H new ATOM 1021 N GLN A 68 11.921 3.805 0.603 1.00 3.23 N ATOM 1022 CA GLN A 68 12.987 4.803 0.725 1.00 53.43 C ATOM 1023 C GLN A 68 13.364 5.343 -0.650 1.00 5.52 C ATOM 1024 O GLN A 68 13.463 6.557 -0.855 1.00 72.24 O ATOM 1025 CB GLN A 68 14.228 4.189 1.385 1.00 30.43 C ATOM 1026 CG GLN A 68 14.030 3.767 2.836 1.00 74.31 C ATOM 1027 CD GLN A 68 15.238 3.033 3.395 1.00 63.31 C ATOM 1028 OE1 GLN A 68 15.971 2.375 2.658 1.00 11.20 O ATOM 1029 NE2 GLN A 68 15.450 3.130 4.695 1.00 40.52 N ATOM 0 H GLN A 68 12.138 2.904 1.030 1.00 3.23 H new ATOM 0 HA GLN A 68 12.618 5.618 1.347 1.00 53.43 H new ATOM 0 HB2 GLN A 68 14.539 3.319 0.806 1.00 30.43 H new ATOM 0 HB3 GLN A 68 15.043 4.911 1.338 1.00 30.43 H new ATOM 0 HG2 GLN A 68 13.831 4.649 3.444 1.00 74.31 H new ATOM 0 HG3 GLN A 68 13.152 3.125 2.908 1.00 74.31 H new ATOM 0 HE21 GLN A 68 14.820 3.685 5.274 1.00 40.52 H new ATOM 0 HE22 GLN A 68 16.243 2.650 5.120 1.00 40.52 H new ATOM 1038 N GLN A 69 13.567 4.425 -1.586 1.00 5.25 N ATOM 1039 CA GLN A 69 13.967 4.777 -2.947 1.00 3.22 C ATOM 1040 C GLN A 69 12.887 5.597 -3.663 1.00 21.44 C ATOM 1041 O GLN A 69 13.185 6.598 -4.321 1.00 35.44 O ATOM 1042 CB GLN A 69 14.264 3.500 -3.750 1.00 12.43 C ATOM 1043 CG GLN A 69 14.737 3.756 -5.182 1.00 41.42 C ATOM 1044 CD GLN A 69 16.049 4.519 -5.238 1.00 12.22 C ATOM 1045 OE1 GLN A 69 17.126 3.923 -5.239 1.00 21.23 O ATOM 1046 NE2 GLN A 69 15.973 5.841 -5.274 1.00 12.20 N ATOM 0 H GLN A 69 13.461 3.423 -1.428 1.00 5.25 H new ATOM 0 HA GLN A 69 14.865 5.391 -2.881 1.00 3.22 H new ATOM 0 HB2 GLN A 69 15.026 2.923 -3.225 1.00 12.43 H new ATOM 0 HB3 GLN A 69 13.364 2.886 -3.781 1.00 12.43 H new ATOM 0 HG2 GLN A 69 14.853 2.803 -5.698 1.00 41.42 H new ATOM 0 HG3 GLN A 69 13.972 4.317 -5.718 1.00 41.42 H new ATOM 0 HE21 GLN A 69 15.062 6.300 -5.272 1.00 12.20 H new ATOM 0 HE22 GLN A 69 16.826 6.400 -5.304 1.00 12.20 H new ATOM 1055 N TYR A 70 11.639 5.158 -3.539 1.00 61.54 N ATOM 1056 CA TYR A 70 10.527 5.709 -4.316 1.00 3.12 C ATOM 1057 C TYR A 70 9.613 6.625 -3.497 1.00 44.43 C ATOM 1058 O TYR A 70 8.599 7.071 -4.010 1.00 43.20 O ATOM 1059 CB TYR A 70 9.711 4.578 -4.953 1.00 74.15 C ATOM 1060 CG TYR A 70 10.513 3.717 -5.912 1.00 31.51 C ATOM 1061 CD1 TYR A 70 11.088 4.271 -7.051 1.00 5.23 C ATOM 1062 CD2 TYR A 70 10.698 2.359 -5.680 1.00 42.40 C ATOM 1063 CE1 TYR A 70 11.824 3.497 -7.927 1.00 65.43 C ATOM 1064 CE2 TYR A 70 11.432 1.578 -6.552 1.00 32.43 C ATOM 1065 CZ TYR A 70 11.993 2.152 -7.674 1.00 1.04 C ATOM 1066 OH TYR A 70 12.735 1.380 -8.543 1.00 4.04 O ATOM 0 H TYR A 70 11.367 4.412 -2.899 1.00 61.54 H new ATOM 0 HA TYR A 70 10.970 6.328 -5.096 1.00 3.12 H new ATOM 0 HB2 TYR A 70 9.304 3.946 -4.164 1.00 74.15 H new ATOM 0 HB3 TYR A 70 8.863 5.008 -5.486 1.00 74.15 H new ATOM 0 HD1 TYR A 70 10.957 5.324 -7.254 1.00 5.23 H new ATOM 0 HD2 TYR A 70 10.260 1.906 -4.803 1.00 42.40 H new ATOM 0 HE1 TYR A 70 12.265 3.943 -8.806 1.00 65.43 H new ATOM 0 HE2 TYR A 70 11.566 0.524 -6.356 1.00 32.43 H new ATOM 0 HH TYR A 70 12.758 0.455 -8.220 1.00 4.04 H new ATOM 1076 N THR A 71 9.951 6.893 -2.238 1.00 23.41 N ATOM 1077 CA THR A 71 9.046 7.603 -1.314 1.00 12.50 C ATOM 1078 C THR A 71 8.542 8.937 -1.883 1.00 1.31 C ATOM 1079 O THR A 71 7.475 9.415 -1.494 1.00 21.43 O ATOM 1080 CB THR A 71 9.714 7.860 0.062 1.00 24.25 C ATOM 1081 OG1 THR A 71 8.766 8.409 0.990 1.00 11.22 O ATOM 1082 CG2 THR A 71 10.907 8.803 -0.069 1.00 54.44 C ATOM 0 H THR A 71 10.846 6.631 -1.826 1.00 23.41 H new ATOM 0 HA THR A 71 8.190 6.941 -1.183 1.00 12.50 H new ATOM 0 HB THR A 71 10.070 6.901 0.438 1.00 24.25 H new ATOM 0 HG1 THR A 71 9.204 8.563 1.853 1.00 11.22 H new ATOM 0 HG21 THR A 71 11.354 8.963 0.912 1.00 54.44 H new ATOM 0 HG22 THR A 71 11.647 8.363 -0.737 1.00 54.44 H new ATOM 0 HG23 THR A 71 10.573 9.757 -0.476 1.00 54.44 H new ATOM 1090 N GLU A 72 9.300 9.528 -2.801 1.00 71.45 N ATOM 1091 CA GLU A 72 8.903 10.787 -3.436 1.00 42.43 C ATOM 1092 C GLU A 72 7.620 10.610 -4.263 1.00 41.44 C ATOM 1093 O GLU A 72 6.876 11.568 -4.496 1.00 2.43 O ATOM 1094 CB GLU A 72 10.043 11.317 -4.321 1.00 32.14 C ATOM 1095 CG GLU A 72 10.606 10.276 -5.284 1.00 2.44 C ATOM 1096 CD GLU A 72 11.492 10.881 -6.361 1.00 71.42 C ATOM 1097 OE1 GLU A 72 12.689 11.110 -6.096 1.00 41.30 O ATOM 1098 OE2 GLU A 72 10.990 11.125 -7.481 1.00 15.31 O ATOM 0 H GLU A 72 10.194 9.158 -3.124 1.00 71.45 H new ATOM 0 HA GLU A 72 8.698 11.514 -2.650 1.00 42.43 H new ATOM 0 HB2 GLU A 72 9.680 12.170 -4.894 1.00 32.14 H new ATOM 0 HB3 GLU A 72 10.848 11.681 -3.682 1.00 32.14 H new ATOM 0 HG2 GLU A 72 11.180 9.540 -4.720 1.00 2.44 H new ATOM 0 HG3 GLU A 72 9.781 9.743 -5.757 1.00 2.44 H new ATOM 1105 N ASN A 73 7.373 9.380 -4.716 1.00 32.55 N ATOM 1106 CA ASN A 73 6.175 9.062 -5.503 1.00 5.02 C ATOM 1107 C ASN A 73 5.421 7.868 -4.909 1.00 21.53 C ATOM 1108 O ASN A 73 4.400 7.457 -5.446 1.00 74.04 O ATOM 1109 CB ASN A 73 6.544 8.737 -6.966 1.00 32.10 C ATOM 1110 CG ASN A 73 7.609 9.654 -7.541 1.00 51.51 C ATOM 1111 OD1 ASN A 73 7.326 10.765 -7.989 1.00 74.33 O ATOM 1112 ND2 ASN A 73 8.846 9.180 -7.562 1.00 64.53 N ATOM 0 H ASN A 73 7.988 8.583 -4.552 1.00 32.55 H new ATOM 0 HA ASN A 73 5.534 9.943 -5.475 1.00 5.02 H new ATOM 0 HB2 ASN A 73 6.894 7.706 -7.024 1.00 32.10 H new ATOM 0 HB3 ASN A 73 5.647 8.804 -7.582 1.00 32.10 H new ATOM 0 HD21 ASN A 73 9.600 9.741 -7.958 1.00 64.53 H new ATOM 0 HD22 ASN A 73 9.044 8.255 -7.182 1.00 64.53 H new ATOM 1119 N VAL A 74 5.940 7.298 -3.820 1.00 61.42 N ATOM 1120 CA VAL A 74 5.354 6.100 -3.204 1.00 4.44 C ATOM 1121 C VAL A 74 5.160 6.263 -1.696 1.00 54.04 C ATOM 1122 O VAL A 74 6.016 6.813 -1.001 1.00 13.33 O ATOM 1123 CB VAL A 74 6.239 4.849 -3.478 1.00 61.33 C ATOM 1124 CG1 VAL A 74 5.882 3.680 -2.557 1.00 72.22 C ATOM 1125 CG2 VAL A 74 6.123 4.429 -4.940 1.00 34.43 C ATOM 0 H VAL A 74 6.770 7.648 -3.342 1.00 61.42 H new ATOM 0 HA VAL A 74 4.374 5.962 -3.660 1.00 4.44 H new ATOM 0 HB VAL A 74 7.272 5.126 -3.266 1.00 61.33 H new ATOM 0 HG11 VAL A 74 6.524 2.829 -2.784 1.00 72.22 H new ATOM 0 HG12 VAL A 74 6.027 3.978 -1.518 1.00 72.22 H new ATOM 0 HG13 VAL A 74 4.840 3.400 -2.712 1.00 72.22 H new ATOM 0 HG21 VAL A 74 6.747 3.553 -5.118 1.00 34.43 H new ATOM 0 HG22 VAL A 74 5.085 4.187 -5.168 1.00 34.43 H new ATOM 0 HG23 VAL A 74 6.454 5.246 -5.581 1.00 34.43 H new ATOM 1135 N LYS A 75 4.022 5.773 -1.211 1.00 71.43 N ATOM 1136 CA LYS A 75 3.707 5.754 0.215 1.00 53.42 C ATOM 1137 C LYS A 75 2.902 4.498 0.551 1.00 2.22 C ATOM 1138 O LYS A 75 1.818 4.294 0.007 1.00 73.34 O ATOM 1139 CB LYS A 75 2.898 7.011 0.597 1.00 70.53 C ATOM 1140 CG LYS A 75 3.704 8.111 1.288 1.00 55.42 C ATOM 1141 CD LYS A 75 3.993 7.778 2.760 1.00 34.45 C ATOM 1142 CE LYS A 75 4.639 8.958 3.486 1.00 13.14 C ATOM 1143 NZ LYS A 75 4.807 8.721 4.947 1.00 51.24 N ATOM 0 H LYS A 75 3.289 5.376 -1.799 1.00 71.43 H new ATOM 0 HA LYS A 75 4.638 5.747 0.782 1.00 53.42 H new ATOM 0 HB2 LYS A 75 2.448 7.424 -0.306 1.00 70.53 H new ATOM 0 HB3 LYS A 75 2.080 6.713 1.253 1.00 70.53 H new ATOM 0 HG2 LYS A 75 4.645 8.257 0.758 1.00 55.42 H new ATOM 0 HG3 LYS A 75 3.156 9.052 1.230 1.00 55.42 H new ATOM 0 HD2 LYS A 75 3.064 7.506 3.261 1.00 34.45 H new ATOM 0 HD3 LYS A 75 4.651 6.911 2.815 1.00 34.45 H new ATOM 0 HE2 LYS A 75 5.614 9.161 3.042 1.00 13.14 H new ATOM 0 HE3 LYS A 75 4.028 9.848 3.336 1.00 13.14 H new ATOM 0 HZ1 LYS A 75 5.295 9.533 5.376 1.00 51.24 H new ATOM 0 HZ2 LYS A 75 3.873 8.605 5.390 1.00 51.24 H new ATOM 0 HZ3 LYS A 75 5.370 7.860 5.096 1.00 51.24 H new ATOM 1157 N ILE A 76 3.434 3.654 1.435 1.00 13.31 N ATOM 1158 CA ILE A 76 2.694 2.482 1.909 1.00 54.32 C ATOM 1159 C ILE A 76 2.067 2.799 3.261 1.00 24.55 C ATOM 1160 O ILE A 76 2.685 3.458 4.096 1.00 23.21 O ATOM 1161 CB ILE A 76 3.576 1.203 2.051 1.00 53.20 C ATOM 1162 CG1 ILE A 76 4.317 0.871 0.739 1.00 45.35 C ATOM 1163 CG2 ILE A 76 2.721 0.005 2.490 1.00 53.31 C ATOM 1164 CD1 ILE A 76 5.540 1.726 0.476 1.00 22.25 C ATOM 0 H ILE A 76 4.367 3.757 1.835 1.00 13.31 H new ATOM 0 HA ILE A 76 1.936 2.265 1.156 1.00 54.32 H new ATOM 0 HB ILE A 76 4.325 1.408 2.816 1.00 53.20 H new ATOM 0 HG12 ILE A 76 4.619 -0.176 0.762 1.00 45.35 H new ATOM 0 HG13 ILE A 76 3.624 0.985 -0.094 1.00 45.35 H new ATOM 0 HG21 ILE A 76 3.353 -0.878 2.584 1.00 53.31 H new ATOM 0 HG22 ILE A 76 2.256 0.223 3.452 1.00 53.31 H new ATOM 0 HG23 ILE A 76 1.946 -0.181 1.746 1.00 53.31 H new ATOM 0 HD11 ILE A 76 5.999 1.425 -0.466 1.00 22.25 H new ATOM 0 HD12 ILE A 76 5.246 2.774 0.418 1.00 22.25 H new ATOM 0 HD13 ILE A 76 6.257 1.595 1.287 1.00 22.25 H new ATOM 1176 N TYR A 77 0.844 2.338 3.459 1.00 33.04 N ATOM 1177 CA TYR A 77 0.112 2.536 4.702 1.00 5.24 C ATOM 1178 C TYR A 77 -0.352 1.186 5.227 1.00 12.13 C ATOM 1179 O TYR A 77 -0.621 0.275 4.442 1.00 43.41 O ATOM 1180 CB TYR A 77 -1.112 3.435 4.473 1.00 3.30 C ATOM 1181 CG TYR A 77 -0.792 4.843 3.997 1.00 62.43 C ATOM 1182 CD1 TYR A 77 -0.501 5.105 2.663 1.00 40.31 C ATOM 1183 CD2 TYR A 77 -0.799 5.912 4.882 1.00 2.13 C ATOM 1184 CE1 TYR A 77 -0.224 6.389 2.232 1.00 72.50 C ATOM 1185 CE2 TYR A 77 -0.520 7.197 4.458 1.00 34.13 C ATOM 1186 CZ TYR A 77 -0.236 7.430 3.132 1.00 42.03 C ATOM 1187 OH TYR A 77 0.035 8.710 2.702 1.00 51.24 O ATOM 0 H TYR A 77 0.325 1.811 2.757 1.00 33.04 H new ATOM 0 HA TYR A 77 0.771 3.018 5.425 1.00 5.24 H new ATOM 0 HB2 TYR A 77 -1.763 2.958 3.740 1.00 3.30 H new ATOM 0 HB3 TYR A 77 -1.675 3.501 5.404 1.00 3.30 H new ATOM 0 HD1 TYR A 77 -0.491 4.292 1.952 1.00 40.31 H new ATOM 0 HD2 TYR A 77 -1.027 5.736 5.923 1.00 2.13 H new ATOM 0 HE1 TYR A 77 0.001 6.575 1.192 1.00 72.50 H new ATOM 0 HE2 TYR A 77 -0.525 8.014 5.164 1.00 34.13 H new ATOM 0 HH TYR A 77 -0.015 9.328 3.461 1.00 51.24 H new ATOM 1197 N LYS A 78 -0.450 1.051 6.541 1.00 22.13 N ATOM 1198 CA LYS A 78 -0.959 -0.174 7.138 1.00 55.22 C ATOM 1199 C LYS A 78 -1.978 0.160 8.213 1.00 15.35 C ATOM 1200 O LYS A 78 -1.775 1.075 9.017 1.00 51.45 O ATOM 1201 CB LYS A 78 0.187 -1.020 7.716 1.00 72.53 C ATOM 1202 CG LYS A 78 0.819 -0.470 8.990 1.00 3.51 C ATOM 1203 CD LYS A 78 2.084 -1.237 9.391 1.00 34.34 C ATOM 1204 CE LYS A 78 1.902 -2.759 9.358 1.00 11.13 C ATOM 1205 NZ LYS A 78 2.175 -3.338 8.010 1.00 71.43 N ATOM 0 H LYS A 78 -0.185 1.772 7.212 1.00 22.13 H new ATOM 0 HA LYS A 78 -1.448 -0.763 6.362 1.00 55.22 H new ATOM 0 HB2 LYS A 78 -0.189 -2.023 7.919 1.00 72.53 H new ATOM 0 HB3 LYS A 78 0.963 -1.119 6.957 1.00 72.53 H new ATOM 0 HG2 LYS A 78 1.065 0.582 8.846 1.00 3.51 H new ATOM 0 HG3 LYS A 78 0.094 -0.519 9.803 1.00 3.51 H new ATOM 0 HD2 LYS A 78 2.897 -0.960 8.720 1.00 34.34 H new ATOM 0 HD3 LYS A 78 2.382 -0.935 10.395 1.00 34.34 H new ATOM 0 HE2 LYS A 78 2.569 -3.217 10.089 1.00 11.13 H new ATOM 0 HE3 LYS A 78 0.883 -3.006 9.657 1.00 11.13 H new ATOM 0 HZ1 LYS A 78 1.358 -3.904 7.703 1.00 71.43 H new ATOM 0 HZ2 LYS A 78 2.339 -2.569 7.329 1.00 71.43 H new ATOM 0 HZ3 LYS A 78 3.018 -3.945 8.057 1.00 71.43 H new ATOM 1219 N ILE A 79 -3.090 -0.560 8.200 1.00 44.45 N ATOM 1220 CA ILE A 79 -4.116 -0.398 9.216 1.00 24.34 C ATOM 1221 C ILE A 79 -3.666 -1.090 10.498 1.00 33.02 C ATOM 1222 O ILE A 79 -3.870 -2.290 10.675 1.00 24.21 O ATOM 1223 CB ILE A 79 -5.485 -0.967 8.753 1.00 53.13 C ATOM 1224 CG1 ILE A 79 -5.925 -0.300 7.434 1.00 63.03 C ATOM 1225 CG2 ILE A 79 -6.546 -0.771 9.836 1.00 64.13 C ATOM 1226 CD1 ILE A 79 -7.253 -0.802 6.898 1.00 51.34 C ATOM 0 H ILE A 79 -3.304 -1.264 7.494 1.00 44.45 H new ATOM 0 HA ILE A 79 -4.253 0.668 9.395 1.00 24.34 H new ATOM 0 HB ILE A 79 -5.372 -2.037 8.578 1.00 53.13 H new ATOM 0 HG12 ILE A 79 -5.992 0.777 7.589 1.00 63.03 H new ATOM 0 HG13 ILE A 79 -5.155 -0.467 6.681 1.00 63.03 H new ATOM 0 HG21 ILE A 79 -7.497 -1.177 9.491 1.00 64.13 H new ATOM 0 HG22 ILE A 79 -6.239 -1.289 10.744 1.00 64.13 H new ATOM 0 HG23 ILE A 79 -6.660 0.293 10.046 1.00 64.13 H new ATOM 0 HD11 ILE A 79 -7.490 -0.283 5.969 1.00 51.34 H new ATOM 0 HD12 ILE A 79 -7.187 -1.873 6.709 1.00 51.34 H new ATOM 0 HD13 ILE A 79 -8.037 -0.610 7.631 1.00 51.34 H new ATOM 1238 N ASN A 80 -3.006 -0.331 11.367 1.00 65.10 N ATOM 1239 CA ASN A 80 -2.468 -0.876 12.609 1.00 64.35 C ATOM 1240 C ASN A 80 -3.556 -0.949 13.675 1.00 2.03 C ATOM 1241 O ASN A 80 -3.423 -1.667 14.668 1.00 52.41 O ATOM 1242 CB ASN A 80 -1.291 -0.021 13.098 1.00 5.14 C ATOM 1243 CG ASN A 80 -0.641 -0.566 14.362 1.00 45.32 C ATOM 1244 OD1 ASN A 80 0.251 -1.416 14.297 1.00 43.11 O ATOM 1245 ND2 ASN A 80 -1.057 -0.066 15.519 1.00 45.23 N ATOM 0 H ASN A 80 -2.831 0.665 11.234 1.00 65.10 H new ATOM 0 HA ASN A 80 -2.107 -1.887 12.418 1.00 64.35 H new ATOM 0 HB2 ASN A 80 -0.542 0.040 12.309 1.00 5.14 H new ATOM 0 HB3 ASN A 80 -1.640 0.994 13.285 1.00 5.14 H new ATOM 0 HD21 ASN A 80 -0.637 -0.383 16.392 1.00 45.23 H new ATOM 0 HD22 ASN A 80 -1.797 0.636 15.535 1.00 45.23 H new ATOM 1252 N ILE A 81 -4.632 -0.196 13.466 1.00 32.41 N ATOM 1253 CA ILE A 81 -5.770 -0.228 14.374 1.00 23.11 C ATOM 1254 C ILE A 81 -6.491 -1.569 14.256 1.00 43.42 C ATOM 1255 O ILE A 81 -7.399 -1.739 13.442 1.00 54.34 O ATOM 1256 CB ILE A 81 -6.754 0.942 14.112 1.00 51.41 C ATOM 1257 CG1 ILE A 81 -6.031 2.294 14.264 1.00 1.42 C ATOM 1258 CG2 ILE A 81 -7.954 0.863 15.059 1.00 54.42 C ATOM 1259 CD1 ILE A 81 -5.440 2.533 15.642 1.00 70.23 C ATOM 0 H ILE A 81 -4.738 0.442 12.677 1.00 32.41 H new ATOM 0 HA ILE A 81 -5.391 -0.109 15.389 1.00 23.11 H new ATOM 0 HB ILE A 81 -7.123 0.859 13.090 1.00 51.41 H new ATOM 0 HG12 ILE A 81 -5.233 2.352 13.524 1.00 1.42 H new ATOM 0 HG13 ILE A 81 -6.734 3.096 14.038 1.00 1.42 H new ATOM 0 HG21 ILE A 81 -8.631 1.693 14.858 1.00 54.42 H new ATOM 0 HG22 ILE A 81 -8.479 -0.080 14.903 1.00 54.42 H new ATOM 0 HG23 ILE A 81 -7.607 0.919 16.091 1.00 54.42 H new ATOM 0 HD11 ILE A 81 -4.950 3.506 15.664 1.00 70.23 H new ATOM 0 HD12 ILE A 81 -6.235 2.510 16.388 1.00 70.23 H new ATOM 0 HD13 ILE A 81 -4.711 1.754 15.865 1.00 70.23 H new ATOM 1271 N GLU A 82 -6.040 -2.519 15.067 1.00 65.23 N ATOM 1272 CA GLU A 82 -6.576 -3.879 15.101 1.00 60.24 C ATOM 1273 C GLU A 82 -8.102 -3.879 15.189 1.00 4.42 C ATOM 1274 O GLU A 82 -8.777 -4.727 14.598 1.00 50.21 O ATOM 1275 CB GLU A 82 -5.983 -4.601 16.317 1.00 21.33 C ATOM 1276 CG GLU A 82 -6.490 -6.021 16.527 1.00 2.05 C ATOM 1277 CD GLU A 82 -6.073 -6.578 17.879 1.00 12.32 C ATOM 1278 OE1 GLU A 82 -6.819 -6.374 18.863 1.00 50.31 O ATOM 1279 OE2 GLU A 82 -4.998 -7.206 17.970 1.00 60.54 O ATOM 0 H GLU A 82 -5.280 -2.366 15.730 1.00 65.23 H new ATOM 0 HA GLU A 82 -6.303 -4.391 14.178 1.00 60.24 H new ATOM 0 HB2 GLU A 82 -4.898 -4.629 16.212 1.00 21.33 H new ATOM 0 HB3 GLU A 82 -6.201 -4.017 17.211 1.00 21.33 H new ATOM 0 HG2 GLU A 82 -7.577 -6.034 16.449 1.00 2.05 H new ATOM 0 HG3 GLU A 82 -6.106 -6.664 15.735 1.00 2.05 H new ATOM 1286 N ASP A 83 -8.628 -2.907 15.922 1.00 71.05 N ATOM 1287 CA ASP A 83 -10.054 -2.832 16.226 1.00 35.11 C ATOM 1288 C ASP A 83 -10.883 -2.420 15.015 1.00 74.14 C ATOM 1289 O ASP A 83 -12.081 -2.701 14.956 1.00 50.22 O ATOM 1290 CB ASP A 83 -10.289 -1.839 17.369 1.00 41.42 C ATOM 1291 CG ASP A 83 -9.626 -2.275 18.664 1.00 71.04 C ATOM 1292 OD1 ASP A 83 -8.403 -2.070 18.812 1.00 5.04 O ATOM 1293 OD2 ASP A 83 -10.324 -2.826 19.540 1.00 41.32 O ATOM 0 H ASP A 83 -8.079 -2.147 16.324 1.00 71.05 H new ATOM 0 HA ASP A 83 -10.376 -3.831 16.522 1.00 35.11 H new ATOM 0 HB2 ASP A 83 -9.906 -0.860 17.080 1.00 41.42 H new ATOM 0 HB3 ASP A 83 -11.361 -1.726 17.533 1.00 41.42 H new ATOM 1298 N ASN A 84 -10.255 -1.757 14.052 1.00 12.14 N ATOM 1299 CA ASN A 84 -10.975 -1.210 12.904 1.00 71.35 C ATOM 1300 C ASN A 84 -10.287 -1.593 11.601 1.00 61.23 C ATOM 1301 O ASN A 84 -9.220 -1.075 11.279 1.00 31.21 O ATOM 1302 CB ASN A 84 -11.080 0.317 13.017 1.00 1.41 C ATOM 1303 CG ASN A 84 -11.935 0.766 14.191 1.00 3.43 C ATOM 1304 OD1 ASN A 84 -11.439 0.972 15.303 1.00 11.53 O ATOM 1305 ND2 ASN A 84 -13.226 0.928 13.953 1.00 0.04 N ATOM 0 H ASN A 84 -9.250 -1.584 14.041 1.00 12.14 H new ATOM 0 HA ASN A 84 -11.980 -1.633 12.900 1.00 71.35 H new ATOM 0 HB2 ASN A 84 -10.080 0.738 13.120 1.00 1.41 H new ATOM 0 HB3 ASN A 84 -11.500 0.717 12.094 1.00 1.41 H new ATOM 0 HD21 ASN A 84 -13.848 1.233 14.701 1.00 0.04 H new ATOM 0 HD22 ASN A 84 -13.599 0.748 13.021 1.00 0.04 H new ATOM 1312 N GLN A 85 -10.920 -2.494 10.854 1.00 14.32 N ATOM 1313 CA GLN A 85 -10.375 -2.992 9.592 1.00 53.32 C ATOM 1314 C GLN A 85 -11.506 -3.281 8.598 1.00 24.40 C ATOM 1315 O GLN A 85 -11.395 -4.166 7.743 1.00 35.50 O ATOM 1316 CB GLN A 85 -9.536 -4.256 9.854 1.00 32.33 C ATOM 1317 CG GLN A 85 -10.288 -5.352 10.607 1.00 35.35 C ATOM 1318 CD GLN A 85 -9.404 -6.539 10.959 1.00 61.44 C ATOM 1319 OE1 GLN A 85 -9.283 -7.491 10.188 1.00 72.41 O ATOM 1320 NE2 GLN A 85 -8.785 -6.493 12.130 1.00 51.31 N ATOM 0 H GLN A 85 -11.822 -2.899 11.104 1.00 14.32 H new ATOM 0 HA GLN A 85 -9.731 -2.230 9.153 1.00 53.32 H new ATOM 0 HB2 GLN A 85 -9.191 -4.655 8.900 1.00 32.33 H new ATOM 0 HB3 GLN A 85 -8.649 -3.980 10.424 1.00 32.33 H new ATOM 0 HG2 GLN A 85 -10.709 -4.935 11.522 1.00 35.35 H new ATOM 0 HG3 GLN A 85 -11.125 -5.696 9.999 1.00 35.35 H new ATOM 0 HE21 GLN A 85 -8.910 -5.686 12.742 1.00 51.31 H new ATOM 0 HE22 GLN A 85 -8.183 -7.264 12.419 1.00 51.31 H new ATOM 1329 N ASP A 86 -12.575 -2.487 8.695 1.00 24.22 N ATOM 1330 CA ASP A 86 -13.773 -2.652 7.861 1.00 64.23 C ATOM 1331 C ASP A 86 -13.409 -2.703 6.377 1.00 30.01 C ATOM 1332 O ASP A 86 -14.001 -3.465 5.605 1.00 30.15 O ATOM 1333 CB ASP A 86 -14.752 -1.489 8.095 1.00 52.32 C ATOM 1334 CG ASP A 86 -15.259 -1.401 9.527 1.00 22.44 C ATOM 1335 OD1 ASP A 86 -14.447 -1.134 10.441 1.00 54.55 O ATOM 1336 OD2 ASP A 86 -16.476 -1.591 9.748 1.00 21.13 O ATOM 0 H ASP A 86 -12.637 -1.711 9.354 1.00 24.22 H new ATOM 0 HA ASP A 86 -14.243 -3.594 8.144 1.00 64.23 H new ATOM 0 HB2 ASP A 86 -14.260 -0.552 7.834 1.00 52.32 H new ATOM 0 HB3 ASP A 86 -15.603 -1.600 7.423 1.00 52.32 H new ATOM 1341 N VAL A 87 -12.419 -1.898 5.996 1.00 41.10 N ATOM 1342 CA VAL A 87 -11.970 -1.805 4.605 1.00 32.43 C ATOM 1343 C VAL A 87 -11.643 -3.188 4.036 1.00 63.12 C ATOM 1344 O VAL A 87 -11.920 -3.468 2.868 1.00 54.31 O ATOM 1345 CB VAL A 87 -10.715 -0.895 4.477 1.00 33.44 C ATOM 1346 CG1 VAL A 87 -10.217 -0.826 3.033 1.00 73.44 C ATOM 1347 CG2 VAL A 87 -11.001 0.509 5.009 1.00 21.51 C ATOM 0 H VAL A 87 -11.906 -1.294 6.638 1.00 41.10 H new ATOM 0 HA VAL A 87 -12.790 -1.366 4.036 1.00 32.43 H new ATOM 0 HB VAL A 87 -9.927 -1.342 5.083 1.00 33.44 H new ATOM 0 HG11 VAL A 87 -9.339 -0.182 2.981 1.00 73.44 H new ATOM 0 HG12 VAL A 87 -9.953 -1.827 2.691 1.00 73.44 H new ATOM 0 HG13 VAL A 87 -11.003 -0.420 2.396 1.00 73.44 H new ATOM 0 HG21 VAL A 87 -10.108 1.125 4.908 1.00 21.51 H new ATOM 0 HG22 VAL A 87 -11.816 0.955 4.439 1.00 21.51 H new ATOM 0 HG23 VAL A 87 -11.284 0.449 6.060 1.00 21.51 H new ATOM 1357 N ALA A 88 -11.086 -4.061 4.872 1.00 74.22 N ATOM 1358 CA ALA A 88 -10.681 -5.391 4.428 1.00 70.21 C ATOM 1359 C ALA A 88 -11.894 -6.216 3.995 1.00 64.22 C ATOM 1360 O ALA A 88 -11.960 -6.708 2.861 1.00 40.24 O ATOM 1361 CB ALA A 88 -9.917 -6.106 5.538 1.00 43.55 C ATOM 0 H ALA A 88 -10.905 -3.872 5.858 1.00 74.22 H new ATOM 0 HA ALA A 88 -10.024 -5.279 3.565 1.00 70.21 H new ATOM 0 HB1 ALA A 88 -9.620 -7.097 5.195 1.00 43.55 H new ATOM 0 HB2 ALA A 88 -9.028 -5.530 5.797 1.00 43.55 H new ATOM 0 HB3 ALA A 88 -10.556 -6.202 6.416 1.00 43.55 H new ATOM 1367 N THR A 89 -12.863 -6.334 4.894 1.00 70.32 N ATOM 1368 CA THR A 89 -14.055 -7.131 4.644 1.00 21.44 C ATOM 1369 C THR A 89 -14.859 -6.559 3.473 1.00 12.45 C ATOM 1370 O THR A 89 -15.355 -7.305 2.625 1.00 14.25 O ATOM 1371 CB THR A 89 -14.940 -7.196 5.910 1.00 52.33 C ATOM 1372 OG1 THR A 89 -14.149 -7.620 7.030 1.00 33.34 O ATOM 1373 CG2 THR A 89 -16.111 -8.157 5.726 1.00 34.13 C ATOM 0 H THR A 89 -12.845 -5.884 5.809 1.00 70.32 H new ATOM 0 HA THR A 89 -13.735 -8.140 4.385 1.00 21.44 H new ATOM 0 HB THR A 89 -15.342 -6.199 6.090 1.00 52.33 H new ATOM 0 HG1 THR A 89 -14.711 -7.659 7.832 1.00 33.34 H new ATOM 0 HG21 THR A 89 -16.711 -8.177 6.636 1.00 34.13 H new ATOM 0 HG22 THR A 89 -16.728 -7.823 4.891 1.00 34.13 H new ATOM 0 HG23 THR A 89 -15.731 -9.158 5.519 1.00 34.13 H new ATOM 1381 N GLN A 90 -14.963 -5.232 3.422 1.00 54.05 N ATOM 1382 CA GLN A 90 -15.753 -4.564 2.390 1.00 0.50 C ATOM 1383 C GLN A 90 -15.130 -4.729 1.004 1.00 32.24 C ATOM 1384 O GLN A 90 -15.807 -5.140 0.059 1.00 13.31 O ATOM 1385 CB GLN A 90 -15.927 -3.076 2.720 1.00 54.43 C ATOM 1386 CG GLN A 90 -16.740 -2.824 3.985 1.00 25.34 C ATOM 1387 CD GLN A 90 -18.085 -3.538 3.981 1.00 65.15 C ATOM 1388 OE1 GLN A 90 -18.688 -3.769 2.929 1.00 3.13 O ATOM 1389 NE2 GLN A 90 -18.566 -3.890 5.162 1.00 60.31 N ATOM 0 H GLN A 90 -14.511 -4.599 4.082 1.00 54.05 H new ATOM 0 HA GLN A 90 -16.734 -5.040 2.373 1.00 0.50 H new ATOM 0 HB2 GLN A 90 -14.944 -2.620 2.833 1.00 54.43 H new ATOM 0 HB3 GLN A 90 -16.414 -2.580 1.880 1.00 54.43 H new ATOM 0 HG2 GLN A 90 -16.164 -3.150 4.851 1.00 25.34 H new ATOM 0 HG3 GLN A 90 -16.904 -1.752 4.097 1.00 25.34 H new ATOM 0 HE21 GLN A 90 -18.039 -3.682 6.010 1.00 60.31 H new ATOM 0 HE22 GLN A 90 -19.464 -4.369 5.225 1.00 60.31 H new ATOM 1398 N TYR A 91 -13.843 -4.414 0.884 1.00 44.02 N ATOM 1399 CA TYR A 91 -13.162 -4.473 -0.407 1.00 43.31 C ATOM 1400 C TYR A 91 -12.964 -5.917 -0.864 1.00 33.51 C ATOM 1401 O TYR A 91 -12.944 -6.194 -2.066 1.00 43.32 O ATOM 1402 CB TYR A 91 -11.828 -3.712 -0.353 1.00 43.34 C ATOM 1403 CG TYR A 91 -12.005 -2.202 -0.371 1.00 65.13 C ATOM 1404 CD1 TYR A 91 -12.726 -1.554 0.629 1.00 4.13 C ATOM 1405 CD2 TYR A 91 -11.473 -1.426 -1.399 1.00 32.54 C ATOM 1406 CE1 TYR A 91 -12.907 -0.184 0.608 1.00 63.33 C ATOM 1407 CE2 TYR A 91 -11.646 -0.055 -1.423 1.00 41.34 C ATOM 1408 CZ TYR A 91 -12.367 0.562 -0.419 1.00 10.05 C ATOM 1409 OH TYR A 91 -12.554 1.926 -0.447 1.00 60.04 O ATOM 0 H TYR A 91 -13.253 -4.117 1.661 1.00 44.02 H new ATOM 0 HA TYR A 91 -13.796 -3.984 -1.146 1.00 43.31 H new ATOM 0 HB2 TYR A 91 -11.289 -3.998 0.550 1.00 43.34 H new ATOM 0 HB3 TYR A 91 -11.211 -4.010 -1.201 1.00 43.34 H new ATOM 0 HD1 TYR A 91 -13.151 -2.133 1.436 1.00 4.13 H new ATOM 0 HD2 TYR A 91 -10.916 -1.904 -2.191 1.00 32.54 H new ATOM 0 HE1 TYR A 91 -13.469 0.301 1.393 1.00 63.33 H new ATOM 0 HE2 TYR A 91 -11.219 0.532 -2.223 1.00 41.34 H new ATOM 0 HH TYR A 91 -12.109 2.301 -1.235 1.00 60.04 H new ATOM 1419 N GLY A 92 -12.842 -6.837 0.090 1.00 35.43 N ATOM 1420 CA GLY A 92 -12.785 -8.254 -0.247 1.00 22.14 C ATOM 1421 C GLY A 92 -11.405 -8.843 -0.057 1.00 10.20 C ATOM 1422 O GLY A 92 -10.814 -9.394 -0.991 1.00 72.33 O ATOM 0 H GLY A 92 -12.782 -6.630 1.087 1.00 35.43 H new ATOM 0 HA2 GLY A 92 -13.497 -8.800 0.372 1.00 22.14 H new ATOM 0 HA3 GLY A 92 -13.094 -8.390 -1.283 1.00 22.14 H new ATOM 1426 N VAL A 93 -10.890 -8.726 1.156 1.00 33.14 N ATOM 1427 CA VAL A 93 -9.591 -9.279 1.502 1.00 33.44 C ATOM 1428 C VAL A 93 -9.758 -10.688 2.074 1.00 72.14 C ATOM 1429 O VAL A 93 -10.131 -10.860 3.236 1.00 31.42 O ATOM 1430 CB VAL A 93 -8.856 -8.368 2.517 1.00 35.04 C ATOM 1431 CG1 VAL A 93 -7.521 -8.975 2.943 1.00 65.03 C ATOM 1432 CG2 VAL A 93 -8.659 -6.973 1.924 1.00 73.22 C ATOM 0 H VAL A 93 -11.358 -8.247 1.925 1.00 33.14 H new ATOM 0 HA VAL A 93 -8.986 -9.333 0.597 1.00 33.44 H new ATOM 0 HB VAL A 93 -9.474 -8.283 3.411 1.00 35.04 H new ATOM 0 HG11 VAL A 93 -7.030 -8.312 3.655 1.00 65.03 H new ATOM 0 HG12 VAL A 93 -7.695 -9.944 3.410 1.00 65.03 H new ATOM 0 HG13 VAL A 93 -6.884 -9.103 2.068 1.00 65.03 H new ATOM 0 HG21 VAL A 93 -8.142 -6.341 2.645 1.00 73.22 H new ATOM 0 HG22 VAL A 93 -8.065 -7.045 1.013 1.00 73.22 H new ATOM 0 HG23 VAL A 93 -9.630 -6.537 1.690 1.00 73.22 H new ATOM 1442 N SER A 94 -9.526 -11.689 1.228 1.00 1.43 N ATOM 1443 CA SER A 94 -9.639 -13.088 1.627 1.00 72.15 C ATOM 1444 C SER A 94 -8.385 -13.534 2.382 1.00 71.22 C ATOM 1445 O SER A 94 -8.472 -14.110 3.470 1.00 5.34 O ATOM 1446 CB SER A 94 -9.864 -13.971 0.392 1.00 63.11 C ATOM 1447 OG SER A 94 -9.972 -15.341 0.744 1.00 63.53 O ATOM 0 H SER A 94 -9.256 -11.554 0.254 1.00 1.43 H new ATOM 0 HA SER A 94 -10.495 -13.193 2.294 1.00 72.15 H new ATOM 0 HB2 SER A 94 -10.771 -13.654 -0.123 1.00 63.11 H new ATOM 0 HB3 SER A 94 -9.038 -13.838 -0.307 1.00 63.11 H new ATOM 0 HG SER A 94 -10.116 -15.876 -0.064 1.00 63.53 H new ATOM 1453 N ALA A 95 -7.223 -13.271 1.793 1.00 4.34 N ATOM 1454 CA ALA A 95 -5.948 -13.582 2.427 1.00 13.43 C ATOM 1455 C ALA A 95 -5.461 -12.373 3.215 1.00 33.34 C ATOM 1456 O ALA A 95 -5.536 -11.250 2.724 1.00 22.41 O ATOM 1457 CB ALA A 95 -4.920 -13.993 1.377 1.00 21.24 C ATOM 0 H ALA A 95 -7.139 -12.841 0.872 1.00 4.34 H new ATOM 0 HA ALA A 95 -6.082 -14.418 3.113 1.00 13.43 H new ATOM 0 HB1 ALA A 95 -3.973 -14.222 1.865 1.00 21.24 H new ATOM 0 HB2 ALA A 95 -5.276 -14.875 0.844 1.00 21.24 H new ATOM 0 HB3 ALA A 95 -4.775 -13.176 0.670 1.00 21.24 H new ATOM 1463 N ILE A 96 -4.965 -12.607 4.430 1.00 10.21 N ATOM 1464 CA ILE A 96 -4.527 -11.518 5.308 1.00 41.33 C ATOM 1465 C ILE A 96 -3.543 -10.575 4.592 1.00 15.41 C ATOM 1466 O ILE A 96 -3.797 -9.372 4.510 1.00 35.10 O ATOM 1467 CB ILE A 96 -3.889 -12.053 6.623 1.00 42.15 C ATOM 1468 CG1 ILE A 96 -4.874 -12.984 7.354 1.00 72.54 C ATOM 1469 CG2 ILE A 96 -3.461 -10.895 7.528 1.00 14.25 C ATOM 1470 CD1 ILE A 96 -4.315 -13.606 8.618 1.00 10.33 C ATOM 0 H ILE A 96 -4.856 -13.539 4.830 1.00 10.21 H new ATOM 0 HA ILE A 96 -5.422 -10.953 5.569 1.00 41.33 H new ATOM 0 HB ILE A 96 -2.998 -12.627 6.367 1.00 42.15 H new ATOM 0 HG12 ILE A 96 -5.772 -12.420 7.606 1.00 72.54 H new ATOM 0 HG13 ILE A 96 -5.178 -13.780 6.674 1.00 72.54 H new ATOM 0 HG21 ILE A 96 -3.018 -11.292 8.441 1.00 14.25 H new ATOM 0 HG22 ILE A 96 -2.729 -10.278 7.007 1.00 14.25 H new ATOM 0 HG23 ILE A 96 -4.332 -10.290 7.780 1.00 14.25 H new ATOM 0 HD11 ILE A 96 -5.070 -14.247 9.073 1.00 10.33 H new ATOM 0 HD12 ILE A 96 -3.435 -14.200 8.373 1.00 10.33 H new ATOM 0 HD13 ILE A 96 -4.038 -12.819 9.319 1.00 10.33 H new ATOM 1482 N PRO A 97 -2.419 -11.094 4.033 1.00 24.22 N ATOM 1483 CA PRO A 97 -1.434 -10.253 3.351 1.00 53.40 C ATOM 1484 C PRO A 97 -1.939 -9.776 1.987 1.00 51.44 C ATOM 1485 O PRO A 97 -1.649 -10.385 0.955 1.00 23.34 O ATOM 1486 CB PRO A 97 -0.192 -11.166 3.201 1.00 0.04 C ATOM 1487 CG PRO A 97 -0.511 -12.412 3.969 1.00 62.32 C ATOM 1488 CD PRO A 97 -2.012 -12.508 3.999 1.00 4.03 C ATOM 0 HA PRO A 97 -1.219 -9.342 3.909 1.00 53.40 H new ATOM 0 HB2 PRO A 97 0.004 -11.391 2.153 1.00 0.04 H new ATOM 0 HB3 PRO A 97 0.701 -10.681 3.595 1.00 0.04 H new ATOM 0 HG2 PRO A 97 -0.074 -13.288 3.490 1.00 62.32 H new ATOM 0 HG3 PRO A 97 -0.103 -12.363 4.979 1.00 62.32 H new ATOM 0 HD2 PRO A 97 -2.404 -13.022 3.121 1.00 4.03 H new ATOM 0 HD3 PRO A 97 -2.367 -13.054 4.873 1.00 4.03 H new ATOM 1496 N THR A 98 -2.734 -8.714 1.997 1.00 43.44 N ATOM 1497 CA THR A 98 -3.215 -8.089 0.771 1.00 61.42 C ATOM 1498 C THR A 98 -2.807 -6.618 0.739 1.00 64.42 C ATOM 1499 O THR A 98 -2.846 -5.930 1.769 1.00 43.35 O ATOM 1500 CB THR A 98 -4.751 -8.221 0.635 1.00 4.21 C ATOM 1501 OG1 THR A 98 -5.116 -9.606 0.595 1.00 23.52 O ATOM 1502 CG2 THR A 98 -5.266 -7.524 -0.622 1.00 72.33 C ATOM 0 H THR A 98 -3.063 -8.263 2.851 1.00 43.44 H new ATOM 0 HA THR A 98 -2.759 -8.607 -0.073 1.00 61.42 H new ATOM 0 HB THR A 98 -5.205 -7.739 1.501 1.00 4.21 H new ATOM 0 HG1 THR A 98 -5.059 -9.985 1.497 1.00 23.52 H new ATOM 0 HG21 THR A 98 -6.348 -7.638 -0.684 1.00 72.33 H new ATOM 0 HG22 THR A 98 -5.015 -6.464 -0.579 1.00 72.33 H new ATOM 0 HG23 THR A 98 -4.803 -7.972 -1.502 1.00 72.33 H new ATOM 1510 N ILE A 99 -2.384 -6.154 -0.437 1.00 74.22 N ATOM 1511 CA ILE A 99 -1.955 -4.775 -0.624 1.00 25.11 C ATOM 1512 C ILE A 99 -2.835 -4.084 -1.667 1.00 5.42 C ATOM 1513 O ILE A 99 -2.890 -4.516 -2.819 1.00 33.54 O ATOM 1514 CB ILE A 99 -0.469 -4.686 -1.090 1.00 33.44 C ATOM 1515 CG1 ILE A 99 0.493 -5.322 -0.060 1.00 50.31 C ATOM 1516 CG2 ILE A 99 -0.074 -3.231 -1.359 1.00 44.31 C ATOM 1517 CD1 ILE A 99 0.522 -6.841 -0.082 1.00 22.51 C ATOM 0 H ILE A 99 -2.331 -6.724 -1.281 1.00 74.22 H new ATOM 0 HA ILE A 99 -2.049 -4.278 0.342 1.00 25.11 H new ATOM 0 HB ILE A 99 -0.384 -5.252 -2.018 1.00 33.44 H new ATOM 0 HG12 ILE A 99 1.501 -4.949 -0.244 1.00 50.31 H new ATOM 0 HG13 ILE A 99 0.207 -4.991 0.938 1.00 50.31 H new ATOM 0 HG21 ILE A 99 0.966 -3.190 -1.683 1.00 44.31 H new ATOM 0 HG22 ILE A 99 -0.714 -2.819 -2.139 1.00 44.31 H new ATOM 0 HG23 ILE A 99 -0.193 -2.647 -0.446 1.00 44.31 H new ATOM 0 HD11 ILE A 99 1.222 -7.202 0.671 1.00 22.51 H new ATOM 0 HD12 ILE A 99 -0.474 -7.227 0.134 1.00 22.51 H new ATOM 0 HD13 ILE A 99 0.839 -7.185 -1.067 1.00 22.51 H new ATOM 1529 N LEU A 100 -3.531 -3.026 -1.259 1.00 52.01 N ATOM 1530 CA LEU A 100 -4.288 -2.195 -2.194 1.00 12.33 C ATOM 1531 C LEU A 100 -3.391 -1.094 -2.742 1.00 15.11 C ATOM 1532 O LEU A 100 -2.554 -0.556 -2.016 1.00 1.14 O ATOM 1533 CB LEU A 100 -5.509 -1.552 -1.515 1.00 34.41 C ATOM 1534 CG LEU A 100 -6.673 -2.499 -1.188 1.00 61.50 C ATOM 1535 CD1 LEU A 100 -7.821 -1.731 -0.540 1.00 51.41 C ATOM 1536 CD2 LEU A 100 -7.155 -3.219 -2.443 1.00 64.11 C ATOM 0 H LEU A 100 -3.587 -2.723 -0.287 1.00 52.01 H new ATOM 0 HA LEU A 100 -4.639 -2.837 -3.002 1.00 12.33 H new ATOM 0 HB2 LEU A 100 -5.179 -1.081 -0.589 1.00 34.41 H new ATOM 0 HB3 LEU A 100 -5.883 -0.758 -2.161 1.00 34.41 H new ATOM 0 HG LEU A 100 -6.314 -3.248 -0.482 1.00 61.50 H new ATOM 0 HD11 LEU A 100 -8.637 -2.418 -0.315 1.00 51.41 H new ATOM 0 HD12 LEU A 100 -7.473 -1.266 0.383 1.00 51.41 H new ATOM 0 HD13 LEU A 100 -8.174 -0.959 -1.224 1.00 51.41 H new ATOM 0 HD21 LEU A 100 -7.980 -3.884 -2.187 1.00 64.11 H new ATOM 0 HD22 LEU A 100 -7.494 -2.486 -3.175 1.00 64.11 H new ATOM 0 HD23 LEU A 100 -6.336 -3.802 -2.865 1.00 64.11 H new ATOM 1548 N MET A 101 -3.548 -0.779 -4.022 1.00 53.31 N ATOM 1549 CA MET A 101 -2.821 0.324 -4.635 1.00 73.43 C ATOM 1550 C MET A 101 -3.812 1.417 -5.039 1.00 61.13 C ATOM 1551 O MET A 101 -4.948 1.119 -5.417 1.00 55.52 O ATOM 1552 CB MET A 101 -2.026 -0.181 -5.857 1.00 33.41 C ATOM 1553 CG MET A 101 -1.192 -1.425 -5.565 1.00 51.23 C ATOM 1554 SD MET A 101 -0.045 -1.852 -6.891 1.00 73.01 S ATOM 1555 CE MET A 101 1.190 -0.571 -6.698 1.00 20.31 C ATOM 0 H MET A 101 -4.175 -1.274 -4.657 1.00 53.31 H new ATOM 0 HA MET A 101 -2.111 0.740 -3.921 1.00 73.43 H new ATOM 0 HB2 MET A 101 -2.721 -0.400 -6.668 1.00 33.41 H new ATOM 0 HB3 MET A 101 -1.368 0.614 -6.207 1.00 33.41 H new ATOM 0 HG2 MET A 101 -0.629 -1.267 -4.645 1.00 51.23 H new ATOM 0 HG3 MET A 101 -1.861 -2.268 -5.389 1.00 51.23 H new ATOM 0 HE1 MET A 101 1.202 0.060 -7.587 1.00 20.31 H new ATOM 0 HE2 MET A 101 0.951 0.036 -5.825 1.00 20.31 H new ATOM 0 HE3 MET A 101 2.171 -1.028 -6.565 1.00 20.31 H new ATOM 1565 N PHE A 102 -3.393 2.675 -4.928 1.00 72.11 N ATOM 1566 CA PHE A 102 -4.185 3.828 -5.376 1.00 63.05 C ATOM 1567 C PHE A 102 -3.236 4.908 -5.883 1.00 54.42 C ATOM 1568 O PHE A 102 -2.051 4.882 -5.556 1.00 5.30 O ATOM 1569 CB PHE A 102 -5.047 4.397 -4.233 1.00 22.21 C ATOM 1570 CG PHE A 102 -6.135 3.469 -3.749 1.00 63.12 C ATOM 1571 CD1 PHE A 102 -7.368 3.432 -4.388 1.00 72.43 C ATOM 1572 CD2 PHE A 102 -5.926 2.636 -2.659 1.00 30.02 C ATOM 1573 CE1 PHE A 102 -8.366 2.584 -3.948 1.00 11.41 C ATOM 1574 CE2 PHE A 102 -6.922 1.787 -2.216 1.00 2.32 C ATOM 1575 CZ PHE A 102 -8.143 1.759 -2.863 1.00 32.31 C ATOM 0 H PHE A 102 -2.492 2.929 -4.524 1.00 72.11 H new ATOM 0 HA PHE A 102 -4.855 3.502 -6.171 1.00 63.05 H new ATOM 0 HB2 PHE A 102 -4.397 4.644 -3.393 1.00 22.21 H new ATOM 0 HB3 PHE A 102 -5.504 5.328 -4.568 1.00 22.21 H new ATOM 0 HD1 PHE A 102 -7.548 4.073 -5.238 1.00 72.43 H new ATOM 0 HD2 PHE A 102 -4.973 2.652 -2.151 1.00 30.02 H new ATOM 0 HE1 PHE A 102 -9.321 2.566 -4.453 1.00 11.41 H new ATOM 0 HE2 PHE A 102 -6.747 1.146 -1.365 1.00 2.32 H new ATOM 0 HZ PHE A 102 -8.921 1.093 -2.521 1.00 32.31 H new ATOM 1585 N LYS A 103 -3.724 5.850 -6.689 1.00 23.42 N ATOM 1586 CA LYS A 103 -2.861 6.954 -7.141 1.00 3.24 C ATOM 1587 C LYS A 103 -3.652 8.244 -7.347 1.00 2.11 C ATOM 1588 O LYS A 103 -4.430 8.355 -8.293 1.00 13.21 O ATOM 1589 CB LYS A 103 -2.122 6.576 -8.435 1.00 41.23 C ATOM 1590 CG LYS A 103 -1.126 7.642 -8.892 1.00 22.23 C ATOM 1591 CD LYS A 103 -0.384 7.233 -10.164 1.00 73.31 C ATOM 1592 CE LYS A 103 0.600 8.311 -10.609 1.00 72.11 C ATOM 1593 NZ LYS A 103 1.317 7.933 -11.854 1.00 2.33 N ATOM 0 H LYS A 103 -4.682 5.878 -7.037 1.00 23.42 H new ATOM 0 HA LYS A 103 -2.128 7.131 -6.354 1.00 3.24 H new ATOM 0 HB2 LYS A 103 -1.593 5.635 -8.282 1.00 41.23 H new ATOM 0 HB3 LYS A 103 -2.852 6.407 -9.227 1.00 41.23 H new ATOM 0 HG2 LYS A 103 -1.655 8.579 -9.067 1.00 22.23 H new ATOM 0 HG3 LYS A 103 -0.404 7.827 -8.096 1.00 22.23 H new ATOM 0 HD2 LYS A 103 0.151 6.300 -9.990 1.00 73.31 H new ATOM 0 HD3 LYS A 103 -1.103 7.044 -10.961 1.00 73.31 H new ATOM 0 HE2 LYS A 103 0.064 9.247 -10.769 1.00 72.11 H new ATOM 0 HE3 LYS A 103 1.324 8.491 -9.814 1.00 72.11 H new ATOM 0 HZ1 LYS A 103 2.262 8.368 -11.856 1.00 2.33 H new ATOM 0 HZ2 LYS A 103 1.412 6.898 -11.899 1.00 2.33 H new ATOM 0 HZ3 LYS A 103 0.780 8.268 -12.679 1.00 2.33 H new ATOM 1607 N ASN A 104 -3.432 9.223 -6.464 1.00 3.44 N ATOM 1608 CA ASN A 104 -4.136 10.514 -6.527 1.00 60.25 C ATOM 1609 C ASN A 104 -5.650 10.319 -6.492 1.00 25.42 C ATOM 1610 O ASN A 104 -6.404 11.101 -7.072 1.00 54.40 O ATOM 1611 CB ASN A 104 -3.739 11.302 -7.790 1.00 32.34 C ATOM 1612 CG ASN A 104 -2.390 11.995 -7.680 1.00 74.31 C ATOM 1613 OD1 ASN A 104 -1.473 11.515 -7.010 1.00 1.33 O ATOM 1614 ND2 ASN A 104 -2.263 13.138 -8.343 1.00 52.52 N ATOM 0 H ASN A 104 -2.769 9.148 -5.692 1.00 3.44 H new ATOM 0 HA ASN A 104 -3.839 11.088 -5.650 1.00 60.25 H new ATOM 0 HB2 ASN A 104 -3.719 10.621 -8.641 1.00 32.34 H new ATOM 0 HB3 ASN A 104 -4.505 12.049 -7.997 1.00 32.34 H new ATOM 0 HD21 ASN A 104 -1.383 13.652 -8.309 1.00 52.52 H new ATOM 0 HD22 ASN A 104 -3.046 13.502 -8.886 1.00 52.52 H new ATOM 1621 N GLY A 105 -6.087 9.277 -5.796 1.00 24.33 N ATOM 1622 CA GLY A 105 -7.507 8.972 -5.711 1.00 51.13 C ATOM 1623 C GLY A 105 -7.965 8.014 -6.795 1.00 0.44 C ATOM 1624 O GLY A 105 -9.054 7.444 -6.698 1.00 25.50 O ATOM 0 H GLY A 105 -5.482 8.633 -5.286 1.00 24.33 H new ATOM 0 HA2 GLY A 105 -7.724 8.540 -4.734 1.00 51.13 H new ATOM 0 HA3 GLY A 105 -8.078 9.897 -5.784 1.00 51.13 H new ATOM 1628 N LYS A 106 -7.139 7.835 -7.827 1.00 4.30 N ATOM 1629 CA LYS A 106 -7.449 6.904 -8.908 1.00 2.04 C ATOM 1630 C LYS A 106 -7.405 5.476 -8.382 1.00 41.44 C ATOM 1631 O LYS A 106 -6.447 5.108 -7.678 1.00 65.22 O ATOM 1632 CB LYS A 106 -6.441 7.045 -10.063 1.00 20.14 C ATOM 1633 CG LYS A 106 -6.748 6.144 -11.260 1.00 34.15 C ATOM 1634 CD LYS A 106 -5.556 5.999 -12.208 1.00 14.53 C ATOM 1635 CE LYS A 106 -5.072 7.343 -12.740 1.00 70.05 C ATOM 1636 NZ LYS A 106 -3.966 7.190 -13.724 1.00 75.23 N ATOM 0 H LYS A 106 -6.250 8.324 -7.935 1.00 4.30 H new ATOM 0 HA LYS A 106 -8.446 7.136 -9.282 1.00 2.04 H new ATOM 0 HB2 LYS A 106 -6.425 8.083 -10.395 1.00 20.14 H new ATOM 0 HB3 LYS A 106 -5.442 6.814 -9.692 1.00 20.14 H new ATOM 0 HG2 LYS A 106 -7.044 5.158 -10.902 1.00 34.15 H new ATOM 0 HG3 LYS A 106 -7.597 6.552 -11.809 1.00 34.15 H new ATOM 0 HD2 LYS A 106 -4.738 5.502 -11.686 1.00 14.53 H new ATOM 0 HD3 LYS A 106 -5.836 5.359 -13.045 1.00 14.53 H new ATOM 0 HE2 LYS A 106 -5.904 7.868 -13.209 1.00 70.05 H new ATOM 0 HE3 LYS A 106 -4.734 7.961 -11.908 1.00 70.05 H new ATOM 0 HZ1 LYS A 106 -3.668 8.128 -14.060 1.00 75.23 H new ATOM 0 HZ2 LYS A 106 -3.161 6.713 -13.270 1.00 75.23 H new ATOM 0 HZ3 LYS A 106 -4.295 6.622 -14.531 1.00 75.23 H new ATOM 1650 N LYS A 107 -8.436 4.691 -8.713 1.00 43.33 N ATOM 1651 CA LYS A 107 -8.456 3.274 -8.383 1.00 75.05 C ATOM 1652 C LYS A 107 -7.290 2.587 -9.082 1.00 73.11 C ATOM 1653 O LYS A 107 -6.895 2.970 -10.187 1.00 14.11 O ATOM 1654 CB LYS A 107 -9.792 2.620 -8.779 1.00 63.13 C ATOM 1655 CG LYS A 107 -9.929 1.160 -8.340 1.00 71.34 C ATOM 1656 CD LYS A 107 -9.859 1.012 -6.820 1.00 1.45 C ATOM 1657 CE LYS A 107 -9.923 -0.447 -6.380 1.00 1.42 C ATOM 1658 NZ LYS A 107 -11.215 -1.090 -6.740 1.00 30.34 N ATOM 0 H LYS A 107 -9.265 5.019 -9.209 1.00 43.33 H new ATOM 0 HA LYS A 107 -8.354 3.162 -7.304 1.00 75.05 H new ATOM 0 HB2 LYS A 107 -10.609 3.197 -8.345 1.00 63.13 H new ATOM 0 HB3 LYS A 107 -9.904 2.674 -9.862 1.00 63.13 H new ATOM 0 HG2 LYS A 107 -10.877 0.760 -8.700 1.00 71.34 H new ATOM 0 HG3 LYS A 107 -9.138 0.567 -8.799 1.00 71.34 H new ATOM 0 HD2 LYS A 107 -8.934 1.460 -6.455 1.00 1.45 H new ATOM 0 HD3 LYS A 107 -10.682 1.564 -6.365 1.00 1.45 H new ATOM 0 HE2 LYS A 107 -9.104 -0.999 -6.841 1.00 1.42 H new ATOM 0 HE3 LYS A 107 -9.779 -0.505 -5.301 1.00 1.42 H new ATOM 0 HZ1 LYS A 107 -11.252 -2.046 -6.333 1.00 30.34 H new ATOM 0 HZ2 LYS A 107 -12.002 -0.523 -6.364 1.00 30.34 H new ATOM 0 HZ3 LYS A 107 -11.296 -1.151 -7.775 1.00 30.34 H new ATOM 1672 N LEU A 108 -6.760 1.570 -8.444 1.00 51.55 N ATOM 1673 CA LEU A 108 -5.473 1.020 -8.800 1.00 31.15 C ATOM 1674 C LEU A 108 -5.399 -0.425 -8.322 1.00 10.41 C ATOM 1675 O LEU A 108 -6.270 -0.880 -7.574 1.00 42.23 O ATOM 1676 CB LEU A 108 -4.341 1.890 -8.240 1.00 63.34 C ATOM 1677 CG LEU A 108 -2.981 1.737 -8.933 1.00 33.13 C ATOM 1678 CD1 LEU A 108 -3.119 1.972 -10.432 1.00 5.12 C ATOM 1679 CD2 LEU A 108 -1.962 2.692 -8.326 1.00 33.43 C ATOM 0 H LEU A 108 -7.211 1.099 -7.660 1.00 51.55 H new ATOM 0 HA LEU A 108 -5.351 1.020 -9.883 1.00 31.15 H new ATOM 0 HB2 LEU A 108 -4.645 2.935 -8.303 1.00 63.34 H new ATOM 0 HB3 LEU A 108 -4.218 1.657 -7.182 1.00 63.34 H new ATOM 0 HG LEU A 108 -2.625 0.718 -8.779 1.00 33.13 H new ATOM 0 HD11 LEU A 108 -2.145 1.860 -10.909 1.00 5.12 H new ATOM 0 HD12 LEU A 108 -3.815 1.245 -10.852 1.00 5.12 H new ATOM 0 HD13 LEU A 108 -3.496 2.979 -10.609 1.00 5.12 H new ATOM 0 HD21 LEU A 108 -1.003 2.569 -8.830 1.00 33.43 H new ATOM 0 HD22 LEU A 108 -2.308 3.719 -8.448 1.00 33.43 H new ATOM 0 HD23 LEU A 108 -1.845 2.473 -7.265 1.00 33.43 H new ATOM 1691 N SER A 109 -4.383 -1.139 -8.776 1.00 32.14 N ATOM 1692 CA SER A 109 -4.323 -2.586 -8.697 1.00 74.32 C ATOM 1693 C SER A 109 -4.147 -3.088 -7.261 1.00 24.41 C ATOM 1694 O SER A 109 -3.981 -2.305 -6.321 1.00 3.30 O ATOM 1695 CB SER A 109 -3.104 -3.021 -9.522 1.00 64.41 C ATOM 1696 OG SER A 109 -3.367 -2.967 -10.914 1.00 41.22 O ATOM 0 H SER A 109 -3.564 -0.721 -9.217 1.00 32.14 H new ATOM 0 HA SER A 109 -5.259 -3.003 -9.070 1.00 74.32 H new ATOM 0 HB2 SER A 109 -2.257 -2.377 -9.286 1.00 64.41 H new ATOM 0 HB3 SER A 109 -2.820 -4.036 -9.244 1.00 64.41 H new ATOM 0 HG SER A 109 -2.557 -3.209 -11.410 1.00 41.22 H new ATOM 1702 N GLN A 110 -4.245 -4.404 -7.105 1.00 23.23 N ATOM 1703 CA GLN A 110 -4.151 -5.049 -5.806 1.00 51.41 C ATOM 1704 C GLN A 110 -3.169 -6.212 -5.874 1.00 13.40 C ATOM 1705 O GLN A 110 -3.235 -7.037 -6.788 1.00 2.22 O ATOM 1706 CB GLN A 110 -5.530 -5.569 -5.368 1.00 72.45 C ATOM 1707 CG GLN A 110 -5.554 -6.117 -3.944 1.00 63.35 C ATOM 1708 CD GLN A 110 -6.856 -6.818 -3.600 1.00 71.51 C ATOM 1709 OE1 GLN A 110 -7.825 -6.192 -3.175 1.00 0.51 O ATOM 1710 NE2 GLN A 110 -6.873 -8.130 -3.745 1.00 23.35 N ATOM 0 H GLN A 110 -4.392 -5.052 -7.879 1.00 23.23 H new ATOM 0 HA GLN A 110 -3.798 -4.317 -5.079 1.00 51.41 H new ATOM 0 HB2 GLN A 110 -6.256 -4.760 -5.449 1.00 72.45 H new ATOM 0 HB3 GLN A 110 -5.848 -6.353 -6.055 1.00 72.45 H new ATOM 0 HG2 GLN A 110 -4.727 -6.815 -3.815 1.00 63.35 H new ATOM 0 HG3 GLN A 110 -5.392 -5.298 -3.243 1.00 63.35 H new ATOM 0 HE21 GLN A 110 -6.049 -8.614 -4.101 1.00 23.35 H new ATOM 0 HE22 GLN A 110 -7.710 -8.659 -3.501 1.00 23.35 H new ATOM 1719 N VAL A 111 -2.260 -6.272 -4.914 1.00 24.34 N ATOM 1720 CA VAL A 111 -1.310 -7.370 -4.824 1.00 20.14 C ATOM 1721 C VAL A 111 -1.779 -8.379 -3.779 1.00 2.55 C ATOM 1722 O VAL A 111 -1.824 -8.078 -2.583 1.00 72.11 O ATOM 1723 CB VAL A 111 0.112 -6.869 -4.469 1.00 2.22 C ATOM 1724 CG1 VAL A 111 1.093 -8.042 -4.396 1.00 73.22 C ATOM 1725 CG2 VAL A 111 0.582 -5.818 -5.480 1.00 4.13 C ATOM 0 H VAL A 111 -2.160 -5.569 -4.182 1.00 24.34 H new ATOM 0 HA VAL A 111 -1.262 -7.849 -5.802 1.00 20.14 H new ATOM 0 HB VAL A 111 0.078 -6.398 -3.487 1.00 2.22 H new ATOM 0 HG11 VAL A 111 2.087 -7.670 -4.146 1.00 73.22 H new ATOM 0 HG12 VAL A 111 0.764 -8.744 -3.630 1.00 73.22 H new ATOM 0 HG13 VAL A 111 1.128 -8.548 -5.361 1.00 73.22 H new ATOM 0 HG21 VAL A 111 1.583 -5.479 -5.213 1.00 4.13 H new ATOM 0 HG22 VAL A 111 0.601 -6.256 -6.478 1.00 4.13 H new ATOM 0 HG23 VAL A 111 -0.103 -4.971 -5.469 1.00 4.13 H new ATOM 1735 N ILE A 112 -2.161 -9.564 -4.243 1.00 52.43 N ATOM 1736 CA ILE A 112 -2.586 -10.641 -3.358 1.00 1.21 C ATOM 1737 C ILE A 112 -1.360 -11.422 -2.891 1.00 12.11 C ATOM 1738 O ILE A 112 -0.684 -12.067 -3.700 1.00 42.20 O ATOM 1739 CB ILE A 112 -3.584 -11.620 -4.050 1.00 51.42 C ATOM 1740 CG1 ILE A 112 -4.866 -10.891 -4.506 1.00 65.13 C ATOM 1741 CG2 ILE A 112 -3.935 -12.778 -3.114 1.00 34.24 C ATOM 1742 CD1 ILE A 112 -4.675 -9.993 -5.714 1.00 22.44 C ATOM 0 H ILE A 112 -2.185 -9.803 -5.234 1.00 52.43 H new ATOM 0 HA ILE A 112 -3.102 -10.187 -2.512 1.00 1.21 H new ATOM 0 HB ILE A 112 -3.094 -12.020 -4.937 1.00 51.42 H new ATOM 0 HG12 ILE A 112 -5.630 -11.633 -4.736 1.00 65.13 H new ATOM 0 HG13 ILE A 112 -5.244 -10.291 -3.678 1.00 65.13 H new ATOM 0 HG21 ILE A 112 -4.632 -13.451 -3.613 1.00 34.24 H new ATOM 0 HG22 ILE A 112 -3.028 -13.323 -2.854 1.00 34.24 H new ATOM 0 HG23 ILE A 112 -4.396 -12.386 -2.207 1.00 34.24 H new ATOM 0 HD11 ILE A 112 -5.623 -9.519 -5.969 1.00 22.44 H new ATOM 0 HD12 ILE A 112 -3.936 -9.226 -5.484 1.00 22.44 H new ATOM 0 HD13 ILE A 112 -4.329 -10.588 -6.559 1.00 22.44 H new ATOM 1754 N GLY A 113 -1.063 -11.349 -1.600 1.00 75.42 N ATOM 1755 CA GLY A 113 0.107 -12.018 -1.064 1.00 40.43 C ATOM 1756 C GLY A 113 1.350 -11.157 -1.181 1.00 1.31 C ATOM 1757 O GLY A 113 1.525 -10.439 -2.168 1.00 3.14 O ATOM 0 H GLY A 113 -1.614 -10.836 -0.912 1.00 75.42 H new ATOM 0 HA2 GLY A 113 -0.065 -12.268 -0.017 1.00 40.43 H new ATOM 0 HA3 GLY A 113 0.264 -12.957 -1.595 1.00 40.43 H new ATOM 1761 N ALA A 114 2.210 -11.226 -0.173 1.00 12.34 N ATOM 1762 CA ALA A 114 3.431 -10.428 -0.144 1.00 5.14 C ATOM 1763 C ALA A 114 4.446 -10.953 -1.160 1.00 10.11 C ATOM 1764 O ALA A 114 5.270 -11.810 -0.840 1.00 14.10 O ATOM 1765 CB ALA A 114 4.019 -10.420 1.264 1.00 72.03 C ATOM 0 H ALA A 114 2.084 -11.829 0.640 1.00 12.34 H new ATOM 0 HA ALA A 114 3.185 -9.403 -0.420 1.00 5.14 H new ATOM 0 HB1 ALA A 114 4.930 -9.822 1.274 1.00 72.03 H new ATOM 0 HB2 ALA A 114 3.296 -9.992 1.958 1.00 72.03 H new ATOM 0 HB3 ALA A 114 4.252 -11.441 1.567 1.00 72.03 H new ATOM 1771 N ASP A 115 4.348 -10.465 -2.397 1.00 74.11 N ATOM 1772 CA ASP A 115 5.303 -10.810 -3.453 1.00 12.30 C ATOM 1773 C ASP A 115 6.007 -9.556 -3.962 1.00 25.25 C ATOM 1774 O ASP A 115 5.395 -8.708 -4.625 1.00 30.12 O ATOM 1775 CB ASP A 115 4.610 -11.528 -4.618 1.00 61.22 C ATOM 1776 CG ASP A 115 5.548 -11.761 -5.799 1.00 62.32 C ATOM 1777 OD1 ASP A 115 6.685 -12.233 -5.584 1.00 34.53 O ATOM 1778 OD2 ASP A 115 5.147 -11.485 -6.948 1.00 61.31 O ATOM 0 H ASP A 115 3.612 -9.825 -2.695 1.00 74.11 H new ATOM 0 HA ASP A 115 6.041 -11.488 -3.025 1.00 12.30 H new ATOM 0 HB2 ASP A 115 4.222 -12.486 -4.271 1.00 61.22 H new ATOM 0 HB3 ASP A 115 3.755 -10.938 -4.948 1.00 61.22 H new ATOM 1783 N ILE A 116 7.298 -9.458 -3.663 1.00 71.45 N ATOM 1784 CA ILE A 116 8.087 -8.276 -3.987 1.00 62.34 C ATOM 1785 C ILE A 116 8.087 -8.027 -5.500 1.00 54.52 C ATOM 1786 O ILE A 116 8.081 -6.880 -5.939 1.00 61.40 O ATOM 1787 CB ILE A 116 9.545 -8.413 -3.438 1.00 4.31 C ATOM 1788 CG1 ILE A 116 10.066 -7.070 -2.884 1.00 73.31 C ATOM 1789 CG2 ILE A 116 10.507 -8.964 -4.495 1.00 15.14 C ATOM 1790 CD1 ILE A 116 10.201 -5.968 -3.915 1.00 63.34 C ATOM 0 H ILE A 116 7.825 -10.193 -3.191 1.00 71.45 H new ATOM 0 HA ILE A 116 7.629 -7.414 -3.503 1.00 62.34 H new ATOM 0 HB ILE A 116 9.505 -9.131 -2.619 1.00 4.31 H new ATOM 0 HG12 ILE A 116 9.392 -6.732 -2.097 1.00 73.31 H new ATOM 0 HG13 ILE A 116 11.039 -7.237 -2.421 1.00 73.31 H new ATOM 0 HG21 ILE A 116 11.508 -9.043 -4.070 1.00 15.14 H new ATOM 0 HG22 ILE A 116 10.170 -9.950 -4.815 1.00 15.14 H new ATOM 0 HG23 ILE A 116 10.529 -8.292 -5.353 1.00 15.14 H new ATOM 0 HD11 ILE A 116 10.573 -5.063 -3.434 1.00 63.34 H new ATOM 0 HD12 ILE A 116 10.900 -6.280 -4.691 1.00 63.34 H new ATOM 0 HD13 ILE A 116 9.228 -5.767 -4.362 1.00 63.34 H new ATOM 1802 N SER A 117 8.050 -9.106 -6.284 1.00 21.34 N ATOM 1803 CA SER A 117 8.097 -9.001 -7.741 1.00 30.32 C ATOM 1804 C SER A 117 6.849 -8.283 -8.264 1.00 1.22 C ATOM 1805 O SER A 117 6.945 -7.287 -8.988 1.00 65.21 O ATOM 1806 CB SER A 117 8.229 -10.394 -8.379 1.00 13.13 C ATOM 1807 OG SER A 117 8.446 -10.305 -9.780 1.00 12.14 O ATOM 0 H SER A 117 7.988 -10.062 -5.933 1.00 21.34 H new ATOM 0 HA SER A 117 8.973 -8.415 -8.018 1.00 30.32 H new ATOM 0 HB2 SER A 117 9.056 -10.931 -7.915 1.00 13.13 H new ATOM 0 HB3 SER A 117 7.325 -10.971 -8.185 1.00 13.13 H new ATOM 0 HG SER A 117 8.527 -11.206 -10.156 1.00 12.14 H new ATOM 1813 N LYS A 118 5.678 -8.779 -7.870 1.00 2.04 N ATOM 1814 CA LYS A 118 4.414 -8.181 -8.286 1.00 13.51 C ATOM 1815 C LYS A 118 4.325 -6.734 -7.799 1.00 63.01 C ATOM 1816 O LYS A 118 3.961 -5.831 -8.558 1.00 11.45 O ATOM 1817 CB LYS A 118 3.227 -9.000 -7.746 1.00 31.44 C ATOM 1818 CG LYS A 118 1.858 -8.460 -8.153 1.00 64.34 C ATOM 1819 CD LYS A 118 1.681 -8.434 -9.668 1.00 73.52 C ATOM 1820 CE LYS A 118 0.320 -7.878 -10.067 1.00 71.00 C ATOM 1821 NZ LYS A 118 -0.800 -8.736 -9.594 1.00 45.54 N ATOM 0 H LYS A 118 5.580 -9.593 -7.263 1.00 2.04 H new ATOM 0 HA LYS A 118 4.371 -8.186 -9.375 1.00 13.51 H new ATOM 0 HB2 LYS A 118 3.319 -10.028 -8.098 1.00 31.44 H new ATOM 0 HB3 LYS A 118 3.285 -9.029 -6.658 1.00 31.44 H new ATOM 0 HG2 LYS A 118 1.078 -9.077 -7.707 1.00 64.34 H new ATOM 0 HG3 LYS A 118 1.733 -7.453 -7.756 1.00 64.34 H new ATOM 0 HD2 LYS A 118 2.468 -7.827 -10.116 1.00 73.52 H new ATOM 0 HD3 LYS A 118 1.792 -9.443 -10.065 1.00 73.52 H new ATOM 0 HE2 LYS A 118 0.205 -6.875 -9.656 1.00 71.00 H new ATOM 0 HE3 LYS A 118 0.271 -7.786 -11.152 1.00 71.00 H new ATOM 0 HZ1 LYS A 118 -1.692 -8.406 -10.015 1.00 45.54 H new ATOM 0 HZ2 LYS A 118 -0.627 -9.721 -9.879 1.00 45.54 H new ATOM 0 HZ3 LYS A 118 -0.865 -8.682 -8.557 1.00 45.54 H new ATOM 1835 N ILE A 119 4.682 -6.520 -6.532 1.00 11.33 N ATOM 1836 CA ILE A 119 4.624 -5.188 -5.934 1.00 62.23 C ATOM 1837 C ILE A 119 5.498 -4.200 -6.711 1.00 53.43 C ATOM 1838 O ILE A 119 5.009 -3.176 -7.189 1.00 31.23 O ATOM 1839 CB ILE A 119 5.065 -5.216 -4.446 1.00 4.35 C ATOM 1840 CG1 ILE A 119 4.123 -6.120 -3.630 1.00 72.22 C ATOM 1841 CG2 ILE A 119 5.096 -3.803 -3.862 1.00 31.14 C ATOM 1842 CD1 ILE A 119 4.527 -6.296 -2.180 1.00 44.22 C ATOM 0 H ILE A 119 5.013 -7.251 -5.902 1.00 11.33 H new ATOM 0 HA ILE A 119 3.586 -4.858 -5.983 1.00 62.23 H new ATOM 0 HB ILE A 119 6.074 -5.625 -4.392 1.00 4.35 H new ATOM 0 HG12 ILE A 119 3.117 -5.703 -3.666 1.00 72.22 H new ATOM 0 HG13 ILE A 119 4.079 -7.101 -4.104 1.00 72.22 H new ATOM 0 HG21 ILE A 119 5.408 -3.847 -2.818 1.00 31.14 H new ATOM 0 HG22 ILE A 119 5.801 -3.192 -4.426 1.00 31.14 H new ATOM 0 HG23 ILE A 119 4.101 -3.361 -3.925 1.00 31.14 H new ATOM 0 HD11 ILE A 119 3.810 -6.946 -1.679 1.00 44.22 H new ATOM 0 HD12 ILE A 119 5.520 -6.744 -2.131 1.00 44.22 H new ATOM 0 HD13 ILE A 119 4.542 -5.324 -1.686 1.00 44.22 H new ATOM 1854 N ILE A 120 6.781 -4.523 -6.856 1.00 62.34 N ATOM 1855 CA ILE A 120 7.720 -3.631 -7.534 1.00 52.41 C ATOM 1856 C ILE A 120 7.292 -3.404 -8.988 1.00 45.10 C ATOM 1857 O ILE A 120 7.426 -2.295 -9.522 1.00 34.14 O ATOM 1858 CB ILE A 120 9.181 -4.169 -7.477 1.00 51.42 C ATOM 1859 CG1 ILE A 120 10.179 -3.096 -7.947 1.00 43.13 C ATOM 1860 CG2 ILE A 120 9.338 -5.440 -8.313 1.00 43.23 C ATOM 1861 CD1 ILE A 120 11.631 -3.533 -7.873 1.00 30.03 C ATOM 0 H ILE A 120 7.193 -5.391 -6.515 1.00 62.34 H new ATOM 0 HA ILE A 120 7.701 -2.678 -7.005 1.00 52.41 H new ATOM 0 HB ILE A 120 9.399 -4.416 -6.438 1.00 51.42 H new ATOM 0 HG12 ILE A 120 9.944 -2.821 -8.975 1.00 43.13 H new ATOM 0 HG13 ILE A 120 10.048 -2.201 -7.340 1.00 43.13 H new ATOM 0 HG21 ILE A 120 10.368 -5.790 -8.253 1.00 43.23 H new ATOM 0 HG22 ILE A 120 8.669 -6.212 -7.931 1.00 43.23 H new ATOM 0 HG23 ILE A 120 9.088 -5.225 -9.352 1.00 43.23 H new ATOM 0 HD11 ILE A 120 12.273 -2.723 -8.221 1.00 30.03 H new ATOM 0 HD12 ILE A 120 11.885 -3.780 -6.842 1.00 30.03 H new ATOM 0 HD13 ILE A 120 11.780 -4.410 -8.503 1.00 30.03 H new ATOM 1873 N SER A 121 6.751 -4.453 -9.612 1.00 11.53 N ATOM 1874 CA SER A 121 6.285 -4.373 -10.992 1.00 61.52 C ATOM 1875 C SER A 121 5.198 -3.306 -11.116 1.00 45.04 C ATOM 1876 O SER A 121 5.301 -2.399 -11.943 1.00 32.34 O ATOM 1877 CB SER A 121 5.753 -5.740 -11.453 1.00 22.22 C ATOM 1878 OG SER A 121 5.404 -5.734 -12.830 1.00 54.00 O ATOM 0 H SER A 121 6.626 -5.368 -9.179 1.00 11.53 H new ATOM 0 HA SER A 121 7.122 -4.094 -11.633 1.00 61.52 H new ATOM 0 HB2 SER A 121 6.510 -6.504 -11.273 1.00 22.22 H new ATOM 0 HB3 SER A 121 4.880 -6.010 -10.858 1.00 22.22 H new ATOM 0 HG SER A 121 5.072 -6.619 -13.087 1.00 54.00 H new ATOM 1884 N GLU A 122 4.180 -3.398 -10.262 1.00 74.15 N ATOM 1885 CA GLU A 122 3.078 -2.439 -10.282 1.00 55.54 C ATOM 1886 C GLU A 122 3.582 -1.030 -9.966 1.00 34.25 C ATOM 1887 O GLU A 122 3.160 -0.053 -10.593 1.00 34.11 O ATOM 1888 CB GLU A 122 1.983 -2.849 -9.284 1.00 3.43 C ATOM 1889 CG GLU A 122 1.319 -4.187 -9.598 1.00 73.52 C ATOM 1890 CD GLU A 122 0.726 -4.237 -10.998 1.00 21.32 C ATOM 1891 OE1 GLU A 122 -0.417 -3.774 -11.182 1.00 24.31 O ATOM 1892 OE2 GLU A 122 1.395 -4.749 -11.922 1.00 42.31 O ATOM 0 H GLU A 122 4.096 -4.124 -9.550 1.00 74.15 H new ATOM 0 HA GLU A 122 2.650 -2.437 -11.284 1.00 55.54 H new ATOM 0 HB2 GLU A 122 2.417 -2.897 -8.285 1.00 3.43 H new ATOM 0 HB3 GLU A 122 1.218 -2.073 -9.262 1.00 3.43 H new ATOM 0 HG2 GLU A 122 2.053 -4.986 -9.491 1.00 73.52 H new ATOM 0 HG3 GLU A 122 0.532 -4.377 -8.868 1.00 73.52 H new ATOM 1899 N ILE A 123 4.498 -0.933 -9.003 1.00 10.44 N ATOM 1900 CA ILE A 123 5.066 0.356 -8.610 1.00 52.21 C ATOM 1901 C ILE A 123 5.668 1.072 -9.821 1.00 50.40 C ATOM 1902 O ILE A 123 5.257 2.184 -10.164 1.00 11.42 O ATOM 1903 CB ILE A 123 6.150 0.186 -7.507 1.00 22.42 C ATOM 1904 CG1 ILE A 123 5.505 -0.270 -6.186 1.00 45.32 C ATOM 1905 CG2 ILE A 123 6.937 1.481 -7.297 1.00 51.34 C ATOM 1906 CD1 ILE A 123 6.492 -0.462 -5.052 1.00 64.30 C ATOM 0 H ILE A 123 4.862 -1.730 -8.481 1.00 10.44 H new ATOM 0 HA ILE A 123 4.255 0.960 -8.204 1.00 52.21 H new ATOM 0 HB ILE A 123 6.849 -0.581 -7.840 1.00 22.42 H new ATOM 0 HG12 ILE A 123 4.760 0.466 -5.885 1.00 45.32 H new ATOM 0 HG13 ILE A 123 4.976 -1.208 -6.356 1.00 45.32 H new ATOM 0 HG21 ILE A 123 7.686 1.329 -6.520 1.00 51.34 H new ATOM 0 HG22 ILE A 123 7.430 1.762 -8.227 1.00 51.34 H new ATOM 0 HG23 ILE A 123 6.256 2.276 -6.994 1.00 51.34 H new ATOM 0 HD11 ILE A 123 5.960 -0.783 -4.157 1.00 64.30 H new ATOM 0 HD12 ILE A 123 7.224 -1.220 -5.331 1.00 64.30 H new ATOM 0 HD13 ILE A 123 7.004 0.479 -4.852 1.00 64.30 H new ATOM 1918 N ASN A 124 6.595 0.406 -10.507 1.00 42.44 N ATOM 1919 CA ASN A 124 7.248 1.002 -11.676 1.00 64.12 C ATOM 1920 C ASN A 124 6.240 1.201 -12.802 1.00 72.51 C ATOM 1921 O ASN A 124 6.321 2.168 -13.565 1.00 4.02 O ATOM 1922 CB ASN A 124 8.418 0.136 -12.170 1.00 63.42 C ATOM 1923 CG ASN A 124 9.586 0.110 -11.198 1.00 33.41 C ATOM 1924 OD1 ASN A 124 10.452 0.985 -11.228 1.00 11.15 O ATOM 1925 ND2 ASN A 124 9.634 -0.900 -10.344 1.00 63.32 N ATOM 0 H ASN A 124 6.910 -0.537 -10.279 1.00 42.44 H new ATOM 0 HA ASN A 124 7.647 1.970 -11.373 1.00 64.12 H new ATOM 0 HB2 ASN A 124 8.066 -0.882 -12.334 1.00 63.42 H new ATOM 0 HB3 ASN A 124 8.762 0.514 -13.133 1.00 63.42 H new ATOM 0 HD21 ASN A 124 10.407 -0.972 -9.682 1.00 63.32 H new ATOM 0 HD22 ASN A 124 8.898 -1.607 -10.348 1.00 63.32 H new ATOM 1932 N ASN A 125 5.277 0.292 -12.876 1.00 43.15 N ATOM 1933 CA ASN A 125 4.266 0.314 -13.929 1.00 20.32 C ATOM 1934 C ASN A 125 3.310 1.496 -13.765 1.00 22.33 C ATOM 1935 O ASN A 125 2.752 1.986 -14.749 1.00 31.54 O ATOM 1936 CB ASN A 125 3.480 -1.005 -13.936 1.00 41.12 C ATOM 1937 CG ASN A 125 2.416 -1.053 -15.023 1.00 43.05 C ATOM 1938 OD1 ASN A 125 2.712 -1.377 -16.174 1.00 41.04 O ATOM 1939 ND2 ASN A 125 1.172 -0.758 -14.667 1.00 30.44 N ATOM 0 H ASN A 125 5.173 -0.477 -12.214 1.00 43.15 H new ATOM 0 HA ASN A 125 4.781 0.431 -14.883 1.00 20.32 H new ATOM 0 HB2 ASN A 125 4.173 -1.835 -14.076 1.00 41.12 H new ATOM 0 HB3 ASN A 125 3.007 -1.145 -12.964 1.00 41.12 H new ATOM 0 HD21 ASN A 125 0.422 -0.795 -15.357 1.00 30.44 H new ATOM 0 HD22 ASN A 125 0.966 -0.494 -13.703 1.00 30.44 H new ATOM 1946 N ASN A 126 3.107 1.951 -12.527 1.00 71.02 N ATOM 1947 CA ASN A 126 2.172 3.052 -12.271 1.00 24.41 C ATOM 1948 C ASN A 126 2.879 4.356 -11.907 1.00 5.11 C ATOM 1949 O ASN A 126 2.234 5.404 -11.814 1.00 24.03 O ATOM 1950 CB ASN A 126 1.153 2.662 -11.193 1.00 0.23 C ATOM 1951 CG ASN A 126 0.234 1.544 -11.664 1.00 4.45 C ATOM 1952 OD1 ASN A 126 -0.741 1.790 -12.375 1.00 5.41 O ATOM 1953 ND2 ASN A 126 0.528 0.312 -11.278 1.00 1.22 N ATOM 0 H ASN A 126 3.569 1.582 -11.696 1.00 71.02 H new ATOM 0 HA ASN A 126 1.641 3.236 -13.205 1.00 24.41 H new ATOM 0 HB2 ASN A 126 1.679 2.345 -10.293 1.00 0.23 H new ATOM 0 HB3 ASN A 126 0.557 3.534 -10.924 1.00 0.23 H new ATOM 0 HD21 ASN A 126 -0.061 -0.468 -11.570 1.00 1.22 H new ATOM 0 HD22 ASN A 126 1.343 0.143 -10.689 1.00 1.22 H new ATOM 1960 N ILE A 127 4.193 4.310 -11.686 1.00 11.41 N ATOM 1961 CA ILE A 127 4.974 5.542 -11.537 1.00 63.32 C ATOM 1962 C ILE A 127 5.404 6.053 -12.909 1.00 4.32 C ATOM 1963 O ILE A 127 5.191 7.218 -13.246 1.00 14.45 O ATOM 1964 CB ILE A 127 6.235 5.357 -10.649 1.00 53.11 C ATOM 1965 CG1 ILE A 127 5.845 4.988 -9.211 1.00 32.40 C ATOM 1966 CG2 ILE A 127 7.094 6.627 -10.654 1.00 23.15 C ATOM 1967 CD1 ILE A 127 7.037 4.813 -8.293 1.00 44.30 C ATOM 0 H ILE A 127 4.734 3.449 -11.607 1.00 11.41 H new ATOM 0 HA ILE A 127 4.325 6.264 -11.041 1.00 63.32 H new ATOM 0 HB ILE A 127 6.820 4.539 -11.068 1.00 53.11 H new ATOM 0 HG12 ILE A 127 5.195 5.765 -8.807 1.00 32.40 H new ATOM 0 HG13 ILE A 127 5.267 4.064 -9.224 1.00 32.40 H new ATOM 0 HG21 ILE A 127 7.972 6.475 -10.026 1.00 23.15 H new ATOM 0 HG22 ILE A 127 7.411 6.848 -11.673 1.00 23.15 H new ATOM 0 HG23 ILE A 127 6.511 7.462 -10.267 1.00 23.15 H new ATOM 0 HD11 ILE A 127 6.691 4.553 -7.293 1.00 44.30 H new ATOM 0 HD12 ILE A 127 7.676 4.016 -8.674 1.00 44.30 H new ATOM 0 HD13 ILE A 127 7.603 5.743 -8.251 1.00 44.30 H new ATOM 1979 N ASN A 128 6.010 5.165 -13.695 1.00 43.33 N ATOM 1980 CA ASN A 128 6.503 5.514 -15.027 1.00 44.22 C ATOM 1981 C ASN A 128 5.416 5.255 -16.070 1.00 53.21 C ATOM 1982 O ASN A 128 4.703 6.209 -16.449 1.00 21.31 O ATOM 1983 CB ASN A 128 7.775 4.709 -15.364 1.00 21.55 C ATOM 1984 CG ASN A 128 8.990 5.109 -14.535 1.00 41.31 C ATOM 1985 OD1 ASN A 128 10.132 4.996 -14.988 1.00 11.41 O ATOM 1986 ND2 ASN A 128 8.764 5.580 -13.318 1.00 22.44 N ATOM 1987 OXT ASN A 128 5.253 4.090 -16.486 1.00 0.00 O ATOM 0 H ASN A 128 6.172 4.193 -13.431 1.00 43.33 H new ATOM 0 HA ASN A 128 6.758 6.574 -15.038 1.00 44.22 H new ATOM 0 HB2 ASN A 128 7.575 3.649 -15.211 1.00 21.55 H new ATOM 0 HB3 ASN A 128 8.008 4.840 -16.421 1.00 21.55 H new ATOM 0 HD21 ASN A 128 9.546 5.861 -12.727 1.00 22.44 H new ATOM 0 HD22 ASN A 128 7.808 5.661 -12.972 1.00 22.44 H new