USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=25 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 22 MET CE :methyl -146:sc= -0.236 (180deg=-1.6) USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 1.02 USER MOD Set 1.3: A 75 LYS NZ :NH3+ 143:sc= 2.01 (180deg=-1.16!) USER MOD Set 2.1: A 70 TYR OH : rot -97:sc= 0.559 USER MOD Set 2.2: A 124 ASN : amide:sc= 0.054 X(o=0.61,f=0.29) USER MOD Set 3.1: A 62 GLN : amide:sc= -1.84! C(o=-4.1!,f=-14!) USER MOD Set 3.2: A 65 LYS NZ :NH3+ 171:sc= -2.27 (180deg=-3.74!) USER MOD Set 4.1: A 38 CYS SG : rot -99:sc= -6.82! USER MOD Set 4.2: A 104 ASN : amide:sc= -1.19 K(o=-8,f=-7.3) USER MOD Set 5.1: A 25 GLN : amide:sc= 0.104 K(o=1.3,f=-9.3!) USER MOD Set 5.2: A 78 LYS NZ :NH3+ -178:sc= 1.18 (180deg=-0.000607) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.0412 K(o=0.041,f=-1.7!) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= 1.31 (180deg=-0.481) USER MOD Single : A 36 THR OG1 : rot -92:sc= 1.26 USER MOD Single : A 37 SER OG : rot -35:sc= 0.212 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 41 ASN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.1) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.5!) USER MOD Single : A 84 ASN : amide:sc= -3.46! C(o=-3.5!,f=-7.6!) USER MOD Single : A 85 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.0053) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.54! C(o=-1.5!,f=-6.5!) 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 91:sc= 1.26 USER MOD Single : A 101 MET CE :methyl -120:sc= -1.47 (180deg=-2.43) USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.21) USER MOD Single : A 106 LYS NZ :NH3+ 164:sc= -0.0321 (180deg=-0.256) USER MOD Single : A 107 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0501) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.653 K(o=-0.65,f=-1.4!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.2) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.0077) USER MOD Single : A 126 ASN : amide:sc= 0.832 K(o=0.83,f=-2.4!) USER MOD Single : A 128 ASN : amide:sc= 0.645 K(o=0.64,f=0) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 9.418 3.806 7.628 1.00 34.03 N ATOM 308 CA MET A 22 8.994 4.590 6.465 1.00 51.14 C ATOM 309 C MET A 22 7.575 4.184 6.091 1.00 55.25 C ATOM 310 O MET A 22 6.759 5.008 5.670 1.00 3.12 O ATOM 311 CB MET A 22 9.939 4.346 5.275 1.00 73.25 C ATOM 312 CG MET A 22 11.338 4.917 5.462 1.00 73.41 C ATOM 313 SD MET A 22 11.384 6.715 5.285 1.00 71.33 S ATOM 314 CE MET A 22 10.897 6.901 3.567 1.00 2.12 C ATOM 0 HA MET A 22 9.026 5.651 6.714 1.00 51.14 H new ATOM 0 HB2 MET A 22 10.017 3.273 5.101 1.00 73.25 H new ATOM 0 HB3 MET A 22 9.497 4.782 4.379 1.00 73.25 H new ATOM 0 HG2 MET A 22 11.709 4.643 6.450 1.00 73.41 H new ATOM 0 HG3 MET A 22 12.011 4.466 4.732 1.00 73.41 H new ATOM 0 HE1 MET A 22 11.416 7.755 3.132 1.00 2.12 H new ATOM 0 HE2 MET A 22 11.158 5.998 3.015 1.00 2.12 H new ATOM 0 HE3 MET A 22 9.821 7.063 3.509 1.00 2.12 H new ATOM 324 N ILE A 23 7.305 2.891 6.253 1.00 44.04 N ATOM 325 CA ILE A 23 5.967 2.344 6.081 1.00 71.12 C ATOM 326 C ILE A 23 5.017 3.024 7.074 1.00 50.12 C ATOM 327 O ILE A 23 5.108 2.791 8.287 1.00 0.23 O ATOM 328 CB ILE A 23 5.948 0.805 6.314 1.00 43.04 C ATOM 329 CG1 ILE A 23 7.143 0.121 5.621 1.00 53.10 C ATOM 330 CG2 ILE A 23 4.640 0.203 5.816 1.00 4.04 C ATOM 331 CD1 ILE A 23 7.206 0.330 4.119 1.00 20.42 C ATOM 0 H ILE A 23 8.008 2.197 6.507 1.00 44.04 H new ATOM 0 HA ILE A 23 5.646 2.534 5.057 1.00 71.12 H new ATOM 0 HB ILE A 23 6.030 0.631 7.387 1.00 43.04 H new ATOM 0 HG12 ILE A 23 8.066 0.493 6.066 1.00 53.10 H new ATOM 0 HG13 ILE A 23 7.100 -0.949 5.824 1.00 53.10 H new ATOM 0 HG21 ILE A 23 4.646 -0.873 5.988 1.00 4.04 H new ATOM 0 HG22 ILE A 23 3.805 0.652 6.354 1.00 4.04 H new ATOM 0 HG23 ILE A 23 4.532 0.400 4.749 1.00 4.04 H new ATOM 0 HD11 ILE A 23 8.078 -0.186 3.716 1.00 20.42 H new ATOM 0 HD12 ILE A 23 6.303 -0.069 3.658 1.00 20.42 H new ATOM 0 HD13 ILE A 23 7.283 1.396 3.903 1.00 20.42 H new ATOM 343 N GLU A 24 4.129 3.874 6.562 1.00 41.40 N ATOM 344 CA GLU A 24 3.260 4.695 7.406 1.00 4.42 C ATOM 345 C GLU A 24 2.162 3.848 8.056 1.00 51.41 C ATOM 346 O GLU A 24 1.782 2.801 7.536 1.00 31.51 O ATOM 347 CB GLU A 24 2.649 5.834 6.571 1.00 4.23 C ATOM 348 CG GLU A 24 1.776 6.806 7.363 1.00 42.52 C ATOM 349 CD GLU A 24 2.532 7.511 8.478 1.00 24.54 C ATOM 350 OE1 GLU A 24 3.234 8.505 8.193 1.00 55.50 O ATOM 351 OE2 GLU A 24 2.423 7.082 9.645 1.00 74.32 O ATOM 0 H GLU A 24 3.991 4.013 5.561 1.00 41.40 H new ATOM 0 HA GLU A 24 3.860 5.126 8.207 1.00 4.42 H new ATOM 0 HB2 GLU A 24 3.456 6.394 6.098 1.00 4.23 H new ATOM 0 HB3 GLU A 24 2.051 5.399 5.770 1.00 4.23 H new ATOM 0 HG2 GLU A 24 1.364 7.552 6.683 1.00 42.52 H new ATOM 0 HG3 GLU A 24 0.933 6.263 7.790 1.00 42.52 H new ATOM 358 N GLN A 25 1.668 4.312 9.201 1.00 41.22 N ATOM 359 CA GLN A 25 0.628 3.619 9.964 1.00 4.02 C ATOM 360 C GLN A 25 -0.622 4.500 10.082 1.00 11.01 C ATOM 361 O GLN A 25 -0.518 5.700 10.369 1.00 51.22 O ATOM 362 CB GLN A 25 1.157 3.232 11.362 1.00 73.51 C ATOM 363 CG GLN A 25 2.002 4.314 12.037 1.00 11.11 C ATOM 364 CD GLN A 25 3.444 4.336 11.545 1.00 21.50 C ATOM 365 OE1 GLN A 25 4.016 3.295 11.212 1.00 65.30 O ATOM 366 NE2 GLN A 25 4.029 5.521 11.472 1.00 64.43 N ATOM 0 H GLN A 25 1.978 5.184 9.630 1.00 41.22 H new ATOM 0 HA GLN A 25 0.355 2.706 9.435 1.00 4.02 H new ATOM 0 HB2 GLN A 25 0.310 2.995 12.005 1.00 73.51 H new ATOM 0 HB3 GLN A 25 1.754 2.324 11.273 1.00 73.51 H new ATOM 0 HG2 GLN A 25 1.547 5.288 11.856 1.00 11.11 H new ATOM 0 HG3 GLN A 25 1.994 4.154 13.115 1.00 11.11 H new ATOM 0 HE21 GLN A 25 3.522 6.359 11.757 1.00 64.43 H new ATOM 0 HE22 GLN A 25 4.987 5.597 11.131 1.00 64.43 H new ATOM 375 N ILE A 26 -1.796 3.903 9.851 1.00 11.13 N ATOM 376 CA ILE A 26 -3.069 4.635 9.848 1.00 12.04 C ATOM 377 C ILE A 26 -4.235 3.736 10.293 1.00 14.23 C ATOM 378 O ILE A 26 -4.053 2.556 10.605 1.00 22.33 O ATOM 379 CB ILE A 26 -3.415 5.202 8.437 1.00 1.11 C ATOM 380 CG1 ILE A 26 -3.481 4.065 7.400 1.00 33.13 C ATOM 381 CG2 ILE A 26 -2.421 6.281 8.003 1.00 0.10 C ATOM 382 CD1 ILE A 26 -3.944 4.512 6.027 1.00 4.44 C ATOM 0 H ILE A 26 -1.892 2.905 9.662 1.00 11.13 H new ATOM 0 HA ILE A 26 -2.940 5.459 10.550 1.00 12.04 H new ATOM 0 HB ILE A 26 -4.397 5.672 8.499 1.00 1.11 H new ATOM 0 HG12 ILE A 26 -2.494 3.611 7.310 1.00 33.13 H new ATOM 0 HG13 ILE A 26 -4.156 3.291 7.766 1.00 33.13 H new ATOM 0 HG21 ILE A 26 -2.695 6.652 7.015 1.00 0.10 H new ATOM 0 HG22 ILE A 26 -2.442 7.103 8.718 1.00 0.10 H new ATOM 0 HG23 ILE A 26 -1.417 5.857 7.966 1.00 0.10 H new ATOM 0 HD11 ILE A 26 -3.964 3.655 5.353 1.00 4.44 H new ATOM 0 HD12 ILE A 26 -4.944 4.939 6.101 1.00 4.44 H new ATOM 0 HD13 ILE A 26 -3.257 5.263 5.638 1.00 4.44 H new ATOM 394 N GLY A 27 -5.431 4.327 10.326 1.00 72.21 N ATOM 395 CA GLY A 27 -6.658 3.584 10.576 1.00 23.24 C ATOM 396 C GLY A 27 -7.720 3.934 9.561 1.00 14.21 C ATOM 397 O GLY A 27 -7.412 4.462 8.495 1.00 62.40 O ATOM 0 H GLY A 27 -5.571 5.327 10.181 1.00 72.21 H new ATOM 0 HA2 GLY A 27 -6.453 2.514 10.539 1.00 23.24 H new ATOM 0 HA3 GLY A 27 -7.022 3.804 11.579 1.00 23.24 H new ATOM 401 N ASP A 28 -8.972 3.675 9.909 1.00 55.43 N ATOM 402 CA ASP A 28 -10.095 3.928 9.010 1.00 41.12 C ATOM 403 C ASP A 28 -10.261 5.423 8.753 1.00 24.24 C ATOM 404 O ASP A 28 -10.413 5.858 7.610 1.00 53.01 O ATOM 405 CB ASP A 28 -11.391 3.350 9.593 1.00 34.40 C ATOM 406 CG ASP A 28 -11.909 4.113 10.808 1.00 32.31 C ATOM 407 OD1 ASP A 28 -11.107 4.409 11.720 1.00 14.10 O ATOM 408 OD2 ASP A 28 -13.118 4.416 10.860 1.00 32.02 O ATOM 0 H ASP A 28 -9.240 3.287 10.814 1.00 55.43 H new ATOM 0 HA ASP A 28 -9.883 3.435 8.061 1.00 41.12 H new ATOM 0 HB2 ASP A 28 -12.159 3.351 8.820 1.00 34.40 H new ATOM 0 HB3 ASP A 28 -11.221 2.310 9.873 1.00 34.40 H new ATOM 413 N SER A 29 -10.207 6.202 9.828 1.00 62.33 N ATOM 414 CA SER A 29 -10.395 7.645 9.759 1.00 1.21 C ATOM 415 C SER A 29 -9.258 8.301 8.971 1.00 73.44 C ATOM 416 O SER A 29 -9.446 9.330 8.319 1.00 54.42 O ATOM 417 CB SER A 29 -10.476 8.210 11.179 1.00 4.21 C ATOM 418 OG SER A 29 -11.420 7.481 11.955 1.00 34.21 O ATOM 0 H SER A 29 -10.032 5.851 10.770 1.00 62.33 H new ATOM 0 HA SER A 29 -11.326 7.864 9.236 1.00 1.21 H new ATOM 0 HB2 SER A 29 -9.495 8.163 11.651 1.00 4.21 H new ATOM 0 HB3 SER A 29 -10.762 9.261 11.142 1.00 4.21 H new ATOM 0 HG SER A 29 -11.458 7.855 12.860 1.00 34.21 H new ATOM 424 N GLU A 30 -8.084 7.677 9.014 1.00 74.21 N ATOM 425 CA GLU A 30 -6.912 8.176 8.303 1.00 64.42 C ATOM 426 C GLU A 30 -6.763 7.498 6.946 1.00 51.03 C ATOM 427 O GLU A 30 -5.949 7.921 6.131 1.00 71.01 O ATOM 428 CB GLU A 30 -5.643 7.966 9.140 1.00 52.33 C ATOM 429 CG GLU A 30 -5.531 8.904 10.334 1.00 34.30 C ATOM 430 CD GLU A 30 -5.359 10.358 9.919 1.00 52.12 C ATOM 431 OE1 GLU A 30 -4.202 10.788 9.719 1.00 1.24 O ATOM 432 OE2 GLU A 30 -6.375 11.077 9.795 1.00 30.34 O ATOM 0 H GLU A 30 -7.919 6.818 9.539 1.00 74.21 H new ATOM 0 HA GLU A 30 -7.052 9.244 8.138 1.00 64.42 H new ATOM 0 HB2 GLU A 30 -5.620 6.936 9.496 1.00 52.33 H new ATOM 0 HB3 GLU A 30 -4.771 8.102 8.500 1.00 52.33 H new ATOM 0 HG2 GLU A 30 -6.424 8.809 10.951 1.00 34.30 H new ATOM 0 HG3 GLU A 30 -4.684 8.603 10.950 1.00 34.30 H new ATOM 439 N PHE A 31 -7.547 6.451 6.703 1.00 24.44 N ATOM 440 CA PHE A 31 -7.491 5.741 5.428 1.00 62.42 C ATOM 441 C PHE A 31 -7.873 6.690 4.299 1.00 41.15 C ATOM 442 O PHE A 31 -7.054 7.000 3.432 1.00 24.25 O ATOM 443 CB PHE A 31 -8.422 4.517 5.447 1.00 62.12 C ATOM 444 CG PHE A 31 -8.391 3.695 4.179 1.00 31.12 C ATOM 445 CD1 PHE A 31 -7.333 2.831 3.920 1.00 5.51 C ATOM 446 CD2 PHE A 31 -9.419 3.782 3.248 1.00 64.01 C ATOM 447 CE1 PHE A 31 -7.304 2.075 2.765 1.00 54.04 C ATOM 448 CE2 PHE A 31 -9.393 3.028 2.090 1.00 33.44 C ATOM 449 CZ PHE A 31 -8.334 2.173 1.849 1.00 1.10 C ATOM 0 H PHE A 31 -8.225 6.077 7.367 1.00 24.44 H new ATOM 0 HA PHE A 31 -6.474 5.385 5.264 1.00 62.42 H new ATOM 0 HB2 PHE A 31 -8.148 3.879 6.287 1.00 62.12 H new ATOM 0 HB3 PHE A 31 -9.443 4.854 5.623 1.00 62.12 H new ATOM 0 HD1 PHE A 31 -6.524 2.750 4.631 1.00 5.51 H new ATOM 0 HD2 PHE A 31 -10.249 4.448 3.432 1.00 64.01 H new ATOM 0 HE1 PHE A 31 -6.476 1.407 2.577 1.00 54.04 H new ATOM 0 HE2 PHE A 31 -10.198 3.107 1.375 1.00 33.44 H new ATOM 0 HZ PHE A 31 -8.312 1.582 0.945 1.00 1.10 H new ATOM 459 N ASP A 32 -9.102 7.190 4.352 1.00 52.23 N ATOM 460 CA ASP A 32 -9.577 8.158 3.367 1.00 20.10 C ATOM 461 C ASP A 32 -8.675 9.379 3.360 1.00 13.14 C ATOM 462 O ASP A 32 -8.232 9.825 2.304 1.00 11.35 O ATOM 463 CB ASP A 32 -11.022 8.572 3.673 1.00 50.12 C ATOM 464 CG ASP A 32 -11.510 9.732 2.811 1.00 44.32 C ATOM 465 OD1 ASP A 32 -11.288 10.901 3.192 1.00 4.23 O ATOM 466 OD2 ASP A 32 -12.138 9.483 1.758 1.00 24.32 O ATOM 0 H ASP A 32 -9.788 6.942 5.065 1.00 52.23 H new ATOM 0 HA ASP A 32 -9.551 7.692 2.382 1.00 20.10 H new ATOM 0 HB2 ASP A 32 -11.678 7.715 3.523 1.00 50.12 H new ATOM 0 HB3 ASP A 32 -11.098 8.851 4.724 1.00 50.12 H new ATOM 471 N ASN A 33 -8.387 9.887 4.555 1.00 12.22 N ATOM 472 CA ASN A 33 -7.570 11.090 4.718 1.00 52.40 C ATOM 473 C ASN A 33 -6.274 10.970 3.944 1.00 44.13 C ATOM 474 O ASN A 33 -5.979 11.764 3.056 1.00 42.04 O ATOM 475 CB ASN A 33 -7.205 11.294 6.192 1.00 74.13 C ATOM 476 CG ASN A 33 -6.716 12.703 6.508 1.00 12.02 C ATOM 477 OD1 ASN A 33 -6.179 13.402 5.645 1.00 42.41 O ATOM 478 ND2 ASN A 33 -6.883 13.120 7.755 1.00 52.35 N ATOM 0 H ASN A 33 -8.710 9.481 5.433 1.00 12.22 H new ATOM 0 HA ASN A 33 -8.156 11.931 4.347 1.00 52.40 H new ATOM 0 HB2 ASN A 33 -8.077 11.074 6.808 1.00 74.13 H new ATOM 0 HB3 ASN A 33 -6.431 10.579 6.469 1.00 74.13 H new ATOM 0 HD21 ASN A 33 -6.563 14.049 8.029 1.00 52.35 H new ATOM 0 HD22 ASN A 33 -7.332 12.512 8.440 1.00 52.35 H new ATOM 485 N LYS A 34 -5.524 9.931 4.269 1.00 34.11 N ATOM 486 CA LYS A 34 -4.158 9.813 3.812 1.00 40.15 C ATOM 487 C LYS A 34 -4.086 9.304 2.371 1.00 54.15 C ATOM 488 O LYS A 34 -3.123 9.588 1.656 1.00 10.32 O ATOM 489 CB LYS A 34 -3.357 8.915 4.769 1.00 63.21 C ATOM 490 CG LYS A 34 -3.149 9.546 6.149 1.00 20.23 C ATOM 491 CD LYS A 34 -2.193 10.737 6.077 1.00 41.42 C ATOM 492 CE LYS A 34 -2.192 11.576 7.354 1.00 11.02 C ATOM 493 NZ LYS A 34 -1.762 10.806 8.551 1.00 1.13 N ATOM 0 H LYS A 34 -5.844 9.156 4.850 1.00 34.11 H new ATOM 0 HA LYS A 34 -3.709 10.806 3.816 1.00 40.15 H new ATOM 0 HB2 LYS A 34 -3.876 7.963 4.885 1.00 63.21 H new ATOM 0 HB3 LYS A 34 -2.386 8.696 4.326 1.00 63.21 H new ATOM 0 HG2 LYS A 34 -4.109 9.871 6.551 1.00 20.23 H new ATOM 0 HG3 LYS A 34 -2.752 8.799 6.837 1.00 20.23 H new ATOM 0 HD2 LYS A 34 -1.183 10.375 5.885 1.00 41.42 H new ATOM 0 HD3 LYS A 34 -2.470 11.369 5.233 1.00 41.42 H new ATOM 0 HE2 LYS A 34 -1.529 12.431 7.221 1.00 11.02 H new ATOM 0 HE3 LYS A 34 -3.193 11.972 7.523 1.00 11.02 H new ATOM 0 HZ1 LYS A 34 -2.527 10.803 9.255 1.00 1.13 H new ATOM 0 HZ2 LYS A 34 -1.543 9.828 8.274 1.00 1.13 H new ATOM 0 HZ3 LYS A 34 -0.915 11.248 8.962 1.00 1.13 H new ATOM 507 N VAL A 35 -5.109 8.562 1.945 1.00 62.30 N ATOM 508 CA VAL A 35 -5.163 8.049 0.576 1.00 15.43 C ATOM 509 C VAL A 35 -5.612 9.134 -0.411 1.00 12.43 C ATOM 510 O VAL A 35 -5.086 9.224 -1.524 1.00 23.52 O ATOM 511 CB VAL A 35 -6.091 6.808 0.459 1.00 40.42 C ATOM 512 CG1 VAL A 35 -6.287 6.393 -1.001 1.00 12.33 C ATOM 513 CG2 VAL A 35 -5.527 5.641 1.274 1.00 3.13 C ATOM 0 H VAL A 35 -5.907 8.304 2.525 1.00 62.30 H new ATOM 0 HA VAL A 35 -4.150 7.741 0.318 1.00 15.43 H new ATOM 0 HB VAL A 35 -7.066 7.081 0.862 1.00 40.42 H new ATOM 0 HG11 VAL A 35 -6.941 5.522 -1.047 1.00 12.33 H new ATOM 0 HG12 VAL A 35 -6.738 7.216 -1.556 1.00 12.33 H new ATOM 0 HG13 VAL A 35 -5.321 6.145 -1.442 1.00 12.33 H new ATOM 0 HG21 VAL A 35 -6.188 4.780 1.182 1.00 3.13 H new ATOM 0 HG22 VAL A 35 -4.537 5.380 0.899 1.00 3.13 H new ATOM 0 HG23 VAL A 35 -5.453 5.931 2.322 1.00 3.13 H new ATOM 523 N THR A 36 -6.576 9.964 -0.012 1.00 23.44 N ATOM 524 CA THR A 36 -7.098 11.004 -0.900 1.00 60.21 C ATOM 525 C THR A 36 -6.243 12.279 -0.855 1.00 14.34 C ATOM 526 O THR A 36 -6.035 12.929 -1.882 1.00 1.52 O ATOM 527 CB THR A 36 -8.564 11.360 -0.555 1.00 42.44 C ATOM 528 OG1 THR A 36 -8.644 11.871 0.783 1.00 11.24 O ATOM 529 CG2 THR A 36 -9.466 10.138 -0.693 1.00 33.35 C ATOM 0 H THR A 36 -7.008 9.938 0.912 1.00 23.44 H new ATOM 0 HA THR A 36 -7.058 10.593 -1.909 1.00 60.21 H new ATOM 0 HB THR A 36 -8.903 12.123 -1.255 1.00 42.44 H new ATOM 0 HG1 THR A 36 -8.833 11.136 1.403 1.00 11.24 H new ATOM 0 HG21 THR A 36 -10.491 10.413 -0.445 1.00 33.35 H new ATOM 0 HG22 THR A 36 -9.426 9.770 -1.718 1.00 33.35 H new ATOM 0 HG23 THR A 36 -9.126 9.356 -0.014 1.00 33.35 H new ATOM 537 N SER A 37 -5.738 12.621 0.330 1.00 15.13 N ATOM 538 CA SER A 37 -5.019 13.886 0.532 1.00 24.13 C ATOM 539 C SER A 37 -3.666 13.912 -0.187 1.00 11.11 C ATOM 540 O SER A 37 -3.052 14.975 -0.311 1.00 41.00 O ATOM 541 CB SER A 37 -4.825 14.160 2.033 1.00 64.23 C ATOM 542 OG SER A 37 -4.203 15.417 2.268 1.00 32.11 O ATOM 0 H SER A 37 -5.812 12.042 1.167 1.00 15.13 H new ATOM 0 HA SER A 37 -5.633 14.673 0.095 1.00 24.13 H new ATOM 0 HB2 SER A 37 -5.793 14.135 2.534 1.00 64.23 H new ATOM 0 HB3 SER A 37 -4.218 13.367 2.471 1.00 64.23 H new ATOM 0 HG SER A 37 -3.556 15.600 1.555 1.00 32.11 H new ATOM 548 N CYS A 38 -3.199 12.754 -0.651 1.00 2.43 N ATOM 549 CA CYS A 38 -1.931 12.682 -1.375 1.00 62.42 C ATOM 550 C CYS A 38 -1.966 13.610 -2.597 1.00 71.14 C ATOM 551 O CYS A 38 -2.999 13.736 -3.262 1.00 24.44 O ATOM 552 CB CYS A 38 -1.633 11.239 -1.793 1.00 35.12 C ATOM 553 SG CYS A 38 -2.859 10.515 -2.898 1.00 34.43 S ATOM 0 H CYS A 38 -3.675 11.859 -0.540 1.00 2.43 H new ATOM 0 HA CYS A 38 -1.130 13.014 -0.714 1.00 62.42 H new ATOM 0 HB2 CYS A 38 -0.659 11.209 -2.281 1.00 35.12 H new ATOM 0 HB3 CYS A 38 -1.560 10.622 -0.897 1.00 35.12 H new ATOM 0 HG CYS A 38 -3.675 9.771 -2.213 1.00 34.43 H new ATOM 559 N ASN A 39 -0.835 14.258 -2.877 1.00 43.41 N ATOM 560 CA ASN A 39 -0.762 15.309 -3.894 1.00 2.21 C ATOM 561 C ASN A 39 -1.112 14.792 -5.294 1.00 22.12 C ATOM 562 O ASN A 39 -2.247 14.932 -5.750 1.00 11.24 O ATOM 563 CB ASN A 39 0.635 15.947 -3.906 1.00 14.44 C ATOM 564 CG ASN A 39 1.012 16.583 -2.577 1.00 25.54 C ATOM 565 OD1 ASN A 39 1.569 15.925 -1.696 1.00 3.43 O ATOM 566 ND2 ASN A 39 0.724 17.866 -2.426 1.00 34.55 N ATOM 0 H ASN A 39 0.052 14.071 -2.409 1.00 43.41 H new ATOM 0 HA ASN A 39 -1.505 16.061 -3.628 1.00 2.21 H new ATOM 0 HB2 ASN A 39 1.373 15.186 -4.160 1.00 14.44 H new ATOM 0 HB3 ASN A 39 0.675 16.704 -4.689 1.00 14.44 H new ATOM 0 HD21 ASN A 39 0.964 18.344 -1.557 1.00 34.55 H new ATOM 0 HD22 ASN A 39 0.262 18.377 -3.178 1.00 34.55 H new ATOM 573 N ASP A 40 -0.135 14.191 -5.970 1.00 44.54 N ATOM 574 CA ASP A 40 -0.303 13.769 -7.361 1.00 34.20 C ATOM 575 C ASP A 40 0.735 12.717 -7.728 1.00 43.41 C ATOM 576 O ASP A 40 1.871 12.774 -7.258 1.00 14.23 O ATOM 577 CB ASP A 40 -0.189 14.981 -8.298 1.00 71.31 C ATOM 578 CG ASP A 40 -0.078 14.598 -9.768 1.00 10.11 C ATOM 579 OD1 ASP A 40 -1.003 13.939 -10.294 1.00 72.11 O ATOM 580 OD2 ASP A 40 0.941 14.947 -10.403 1.00 31.03 O ATOM 0 H ASP A 40 0.783 13.985 -5.577 1.00 44.54 H new ATOM 0 HA ASP A 40 -1.294 13.329 -7.474 1.00 34.20 H new ATOM 0 HB2 ASP A 40 -1.061 15.620 -8.161 1.00 71.31 H new ATOM 0 HB3 ASP A 40 0.685 15.569 -8.016 1.00 71.31 H new ATOM 585 N ASN A 41 0.321 11.747 -8.551 1.00 3.13 N ATOM 586 CA ASN A 41 1.188 10.642 -8.988 1.00 4.14 C ATOM 587 C ASN A 41 1.669 9.797 -7.808 1.00 51.13 C ATOM 588 O ASN A 41 2.501 8.905 -7.979 1.00 41.34 O ATOM 589 CB ASN A 41 2.399 11.158 -9.792 1.00 65.20 C ATOM 590 CG ASN A 41 2.100 11.346 -11.272 1.00 71.23 C ATOM 591 OD1 ASN A 41 2.264 10.426 -12.071 1.00 70.41 O ATOM 592 ND2 ASN A 41 1.676 12.539 -11.652 1.00 54.24 N ATOM 0 H ASN A 41 -0.623 11.704 -8.934 1.00 3.13 H new ATOM 0 HA ASN A 41 0.583 10.010 -9.638 1.00 4.14 H new ATOM 0 HB2 ASN A 41 2.728 12.108 -9.371 1.00 65.20 H new ATOM 0 HB3 ASN A 41 3.226 10.457 -9.681 1.00 65.20 H new ATOM 0 HD21 ASN A 41 1.474 12.719 -12.635 1.00 54.24 H new ATOM 0 HD22 ASN A 41 1.551 13.280 -10.962 1.00 54.24 H new ATOM 599 N ILE A 42 1.124 10.057 -6.625 1.00 72.23 N ATOM 600 CA ILE A 42 1.552 9.360 -5.420 1.00 3.31 C ATOM 601 C ILE A 42 1.038 7.925 -5.422 1.00 72.12 C ATOM 602 O ILE A 42 -0.145 7.669 -5.177 1.00 40.51 O ATOM 603 CB ILE A 42 1.082 10.081 -4.130 1.00 44.23 C ATOM 604 CG1 ILE A 42 1.565 11.544 -4.122 1.00 53.45 C ATOM 605 CG2 ILE A 42 1.586 9.343 -2.885 1.00 41.04 C ATOM 606 CD1 ILE A 42 3.075 11.697 -4.154 1.00 35.03 C ATOM 0 H ILE A 42 0.386 10.745 -6.476 1.00 72.23 H new ATOM 0 HA ILE A 42 2.642 9.358 -5.424 1.00 3.31 H new ATOM 0 HB ILE A 42 -0.008 10.077 -4.114 1.00 44.23 H new ATOM 0 HG12 ILE A 42 1.140 12.061 -4.982 1.00 53.45 H new ATOM 0 HG13 ILE A 42 1.179 12.038 -3.230 1.00 53.45 H new ATOM 0 HG21 ILE A 42 1.246 9.864 -1.990 1.00 41.04 H new ATOM 0 HG22 ILE A 42 1.196 8.325 -2.882 1.00 41.04 H new ATOM 0 HG23 ILE A 42 2.676 9.314 -2.896 1.00 41.04 H new ATOM 0 HD11 ILE A 42 3.334 12.756 -4.146 1.00 35.03 H new ATOM 0 HD12 ILE A 42 3.509 11.211 -3.280 1.00 35.03 H new ATOM 0 HD13 ILE A 42 3.469 11.234 -5.059 1.00 35.03 H new ATOM 618 N LEU A 43 1.935 7.006 -5.740 1.00 62.52 N ATOM 619 CA LEU A 43 1.645 5.582 -5.710 1.00 30.34 C ATOM 620 C LEU A 43 1.532 5.123 -4.255 1.00 50.10 C ATOM 621 O LEU A 43 2.524 5.065 -3.523 1.00 63.45 O ATOM 622 CB LEU A 43 2.745 4.810 -6.473 1.00 12.33 C ATOM 623 CG LEU A 43 2.456 3.326 -6.785 1.00 24.34 C ATOM 624 CD1 LEU A 43 2.673 2.441 -5.560 1.00 44.14 C ATOM 625 CD2 LEU A 43 1.037 3.155 -7.324 1.00 14.45 C ATOM 0 H LEU A 43 2.888 7.228 -6.027 1.00 62.52 H new ATOM 0 HA LEU A 43 0.696 5.378 -6.205 1.00 30.34 H new ATOM 0 HB2 LEU A 43 2.933 5.326 -7.415 1.00 12.33 H new ATOM 0 HB3 LEU A 43 3.665 4.863 -5.891 1.00 12.33 H new ATOM 0 HG LEU A 43 3.162 3.008 -7.552 1.00 24.34 H new ATOM 0 HD11 LEU A 43 2.460 1.404 -5.818 1.00 44.14 H new ATOM 0 HD12 LEU A 43 3.708 2.527 -5.228 1.00 44.14 H new ATOM 0 HD13 LEU A 43 2.007 2.760 -4.758 1.00 44.14 H new ATOM 0 HD21 LEU A 43 0.853 2.102 -7.538 1.00 14.45 H new ATOM 0 HD22 LEU A 43 0.321 3.505 -6.580 1.00 14.45 H new ATOM 0 HD23 LEU A 43 0.923 3.736 -8.239 1.00 14.45 H new ATOM 637 N ILE A 44 0.307 4.831 -3.844 1.00 0.44 N ATOM 638 CA ILE A 44 0.007 4.456 -2.469 1.00 33.02 C ATOM 639 C ILE A 44 -0.180 2.947 -2.342 1.00 73.44 C ATOM 640 O ILE A 44 -0.814 2.315 -3.192 1.00 44.03 O ATOM 641 CB ILE A 44 -1.276 5.178 -1.982 1.00 33.13 C ATOM 642 CG1 ILE A 44 -1.042 6.698 -1.930 1.00 64.12 C ATOM 643 CG2 ILE A 44 -1.729 4.645 -0.622 1.00 62.41 C ATOM 644 CD1 ILE A 44 -2.255 7.492 -1.498 1.00 63.22 C ATOM 0 H ILE A 44 -0.509 4.847 -4.455 1.00 0.44 H new ATOM 0 HA ILE A 44 0.851 4.758 -1.849 1.00 33.02 H new ATOM 0 HB ILE A 44 -2.075 4.975 -2.695 1.00 33.13 H new ATOM 0 HG12 ILE A 44 -0.221 6.906 -1.244 1.00 64.12 H new ATOM 0 HG13 ILE A 44 -0.728 7.041 -2.916 1.00 64.12 H new ATOM 0 HG21 ILE A 44 -2.631 5.171 -0.307 1.00 62.41 H new ATOM 0 HG22 ILE A 44 -1.940 3.578 -0.701 1.00 62.41 H new ATOM 0 HG23 ILE A 44 -0.940 4.806 0.113 1.00 62.41 H new ATOM 0 HD11 ILE A 44 -2.010 8.554 -1.486 1.00 63.22 H new ATOM 0 HD12 ILE A 44 -3.073 7.316 -2.197 1.00 63.22 H new ATOM 0 HD13 ILE A 44 -2.558 7.179 -0.499 1.00 63.22 H new ATOM 656 N LEU A 45 0.389 2.376 -1.287 1.00 71.43 N ATOM 657 CA LEU A 45 0.187 0.971 -0.953 1.00 43.33 C ATOM 658 C LEU A 45 -0.481 0.879 0.413 1.00 13.10 C ATOM 659 O LEU A 45 -0.278 1.746 1.262 1.00 71.53 O ATOM 660 CB LEU A 45 1.518 0.191 -0.926 1.00 5.22 C ATOM 661 CG LEU A 45 2.375 0.247 -2.205 1.00 63.33 C ATOM 662 CD1 LEU A 45 3.095 1.587 -2.331 1.00 33.12 C ATOM 663 CD2 LEU A 45 3.373 -0.909 -2.234 1.00 33.14 C ATOM 0 H LEU A 45 1.002 2.872 -0.640 1.00 71.43 H new ATOM 0 HA LEU A 45 -0.444 0.525 -1.722 1.00 43.33 H new ATOM 0 HB2 LEU A 45 2.117 0.568 -0.097 1.00 5.22 H new ATOM 0 HB3 LEU A 45 1.296 -0.854 -0.710 1.00 5.22 H new ATOM 0 HG LEU A 45 1.707 0.148 -3.061 1.00 63.33 H new ATOM 0 HD11 LEU A 45 3.691 1.595 -3.243 1.00 33.12 H new ATOM 0 HD12 LEU A 45 2.361 2.392 -2.370 1.00 33.12 H new ATOM 0 HD13 LEU A 45 3.747 1.732 -1.470 1.00 33.12 H new ATOM 0 HD21 LEU A 45 3.969 -0.852 -3.145 1.00 33.14 H new ATOM 0 HD22 LEU A 45 4.029 -0.845 -1.366 1.00 33.14 H new ATOM 0 HD23 LEU A 45 2.834 -1.856 -2.212 1.00 33.14 H new ATOM 675 N VAL A 46 -1.286 -0.151 0.615 1.00 73.44 N ATOM 676 CA VAL A 46 -1.914 -0.397 1.904 1.00 73.02 C ATOM 677 C VAL A 46 -1.699 -1.849 2.306 1.00 5.32 C ATOM 678 O VAL A 46 -2.327 -2.756 1.752 1.00 2.24 O ATOM 679 CB VAL A 46 -3.434 -0.079 1.883 1.00 35.51 C ATOM 680 CG1 VAL A 46 -4.070 -0.364 3.245 1.00 74.35 C ATOM 681 CG2 VAL A 46 -3.681 1.373 1.465 1.00 54.34 C ATOM 0 H VAL A 46 -1.522 -0.836 -0.103 1.00 73.44 H new ATOM 0 HA VAL A 46 -1.449 0.268 2.632 1.00 73.02 H new ATOM 0 HB VAL A 46 -3.903 -0.730 1.146 1.00 35.51 H new ATOM 0 HG11 VAL A 46 -5.135 -0.133 3.205 1.00 74.35 H new ATOM 0 HG12 VAL A 46 -3.936 -1.416 3.496 1.00 74.35 H new ATOM 0 HG13 VAL A 46 -3.593 0.254 4.006 1.00 74.35 H new ATOM 0 HG21 VAL A 46 -4.753 1.572 1.458 1.00 54.34 H new ATOM 0 HG22 VAL A 46 -3.192 2.043 2.172 1.00 54.34 H new ATOM 0 HG23 VAL A 46 -3.274 1.539 0.467 1.00 54.34 H new ATOM 691 N ASP A 47 -0.794 -2.060 3.249 1.00 54.12 N ATOM 692 CA ASP A 47 -0.433 -3.400 3.690 1.00 52.31 C ATOM 693 C ASP A 47 -1.352 -3.860 4.813 1.00 52.21 C ATOM 694 O ASP A 47 -1.524 -3.157 5.815 1.00 45.12 O ATOM 695 CB ASP A 47 1.023 -3.440 4.191 1.00 2.20 C ATOM 696 CG ASP A 47 2.043 -2.927 3.185 1.00 14.22 C ATOM 697 OD1 ASP A 47 1.709 -2.800 1.986 1.00 42.04 O ATOM 698 OD2 ASP A 47 3.187 -2.652 3.604 1.00 75.51 O ATOM 0 H ASP A 47 -0.291 -1.313 3.728 1.00 54.12 H new ATOM 0 HA ASP A 47 -0.538 -4.067 2.834 1.00 52.31 H new ATOM 0 HB2 ASP A 47 1.098 -2.847 5.102 1.00 2.20 H new ATOM 0 HB3 ASP A 47 1.276 -4.466 4.457 1.00 2.20 H new ATOM 703 N PHE A 48 -1.962 -5.030 4.643 1.00 12.02 N ATOM 704 CA PHE A 48 -2.681 -5.676 5.737 1.00 15.24 C ATOM 705 C PHE A 48 -1.718 -6.581 6.503 1.00 74.45 C ATOM 706 O PHE A 48 -0.954 -7.331 5.893 1.00 31.44 O ATOM 707 CB PHE A 48 -3.885 -6.472 5.210 1.00 53.22 C ATOM 708 CG PHE A 48 -5.051 -5.602 4.804 1.00 72.11 C ATOM 709 CD1 PHE A 48 -4.948 -4.731 3.728 1.00 71.50 C ATOM 710 CD2 PHE A 48 -6.249 -5.652 5.505 1.00 65.20 C ATOM 711 CE1 PHE A 48 -6.013 -3.929 3.362 1.00 40.43 C ATOM 712 CE2 PHE A 48 -7.318 -4.853 5.140 1.00 44.11 C ATOM 713 CZ PHE A 48 -7.201 -3.991 4.068 1.00 13.33 C ATOM 0 H PHE A 48 -1.973 -5.547 3.764 1.00 12.02 H new ATOM 0 HA PHE A 48 -3.069 -4.913 6.412 1.00 15.24 H new ATOM 0 HB2 PHE A 48 -3.570 -7.067 4.353 1.00 53.22 H new ATOM 0 HB3 PHE A 48 -4.214 -7.171 5.979 1.00 53.22 H new ATOM 0 HD1 PHE A 48 -4.025 -4.679 3.170 1.00 71.50 H new ATOM 0 HD2 PHE A 48 -6.347 -6.323 6.346 1.00 65.20 H new ATOM 0 HE1 PHE A 48 -5.917 -3.254 2.525 1.00 40.43 H new ATOM 0 HE2 PHE A 48 -8.244 -4.904 5.694 1.00 44.11 H new ATOM 0 HZ PHE A 48 -8.035 -3.367 3.781 1.00 13.33 H new ATOM 836 N ARG A 57 10.141 -12.565 5.334 1.00 25.13 N ATOM 837 CA ARG A 57 11.361 -12.194 6.058 1.00 23.42 C ATOM 838 C ARG A 57 12.058 -11.018 5.369 1.00 40.11 C ATOM 839 O ARG A 57 12.492 -10.069 6.022 1.00 24.13 O ATOM 840 CB ARG A 57 12.318 -13.404 6.144 1.00 55.40 C ATOM 841 CG ARG A 57 12.826 -13.886 4.784 1.00 22.13 C ATOM 842 CD ARG A 57 13.643 -15.173 4.863 1.00 52.23 C ATOM 843 NE ARG A 57 14.101 -15.580 3.532 1.00 34.42 N ATOM 844 CZ ARG A 57 14.724 -16.728 3.252 1.00 71.30 C ATOM 845 NH1 ARG A 57 14.964 -17.624 4.203 1.00 60.21 N ATOM 846 NH2 ARG A 57 15.099 -16.973 2.005 1.00 23.11 N ATOM 0 HA ARG A 57 11.085 -11.889 7.068 1.00 23.42 H new ATOM 0 HB2 ARG A 57 13.172 -13.137 6.767 1.00 55.40 H new ATOM 0 HB3 ARG A 57 11.805 -14.227 6.642 1.00 55.40 H new ATOM 0 HG2 ARG A 57 11.975 -14.045 4.122 1.00 22.13 H new ATOM 0 HG3 ARG A 57 13.437 -13.103 4.335 1.00 22.13 H new ATOM 0 HD2 ARG A 57 14.501 -15.025 5.518 1.00 52.23 H new ATOM 0 HD3 ARG A 57 13.039 -15.966 5.303 1.00 52.23 H new ATOM 0 HE ARG A 57 13.931 -14.937 2.759 1.00 34.42 H new ATOM 0 HH11 ARG A 57 14.671 -17.440 5.163 1.00 60.21 H new ATOM 0 HH12 ARG A 57 15.441 -18.496 3.974 1.00 60.21 H new ATOM 0 HH21 ARG A 57 14.911 -16.289 1.272 1.00 23.11 H new ATOM 0 HH22 ARG A 57 15.576 -17.846 1.778 1.00 23.11 H new ATOM 860 N SER A 58 12.178 -11.101 4.052 1.00 40.21 N ATOM 861 CA SER A 58 12.755 -10.028 3.253 1.00 24.15 C ATOM 862 C SER A 58 11.770 -8.866 3.091 1.00 25.15 C ATOM 863 O SER A 58 12.168 -7.703 3.030 1.00 31.42 O ATOM 864 CB SER A 58 13.164 -10.578 1.882 1.00 4.15 C ATOM 865 OG SER A 58 13.974 -11.735 2.024 1.00 13.21 O ATOM 0 H SER A 58 11.880 -11.911 3.508 1.00 40.21 H new ATOM 0 HA SER A 58 13.635 -9.644 3.768 1.00 24.15 H new ATOM 0 HB2 SER A 58 12.273 -10.821 1.302 1.00 4.15 H new ATOM 0 HB3 SER A 58 13.708 -9.814 1.326 1.00 4.15 H new ATOM 0 HG SER A 58 14.223 -12.071 1.138 1.00 13.21 H new ATOM 871 N LEU A 59 10.481 -9.197 3.048 1.00 1.31 N ATOM 872 CA LEU A 59 9.441 -8.274 2.582 1.00 50.53 C ATOM 873 C LEU A 59 9.385 -6.963 3.377 1.00 21.31 C ATOM 874 O LEU A 59 9.295 -5.897 2.766 1.00 42.03 O ATOM 875 CB LEU A 59 8.065 -8.967 2.564 1.00 1.54 C ATOM 876 CG LEU A 59 7.511 -9.323 1.169 1.00 21.13 C ATOM 877 CD1 LEU A 59 7.251 -8.063 0.346 1.00 1.14 C ATOM 878 CD2 LEU A 59 8.464 -10.264 0.433 1.00 21.14 C ATOM 0 H LEU A 59 10.126 -10.109 3.334 1.00 1.31 H new ATOM 0 HA LEU A 59 9.713 -7.996 1.564 1.00 50.53 H new ATOM 0 HB2 LEU A 59 8.133 -9.882 3.152 1.00 1.54 H new ATOM 0 HB3 LEU A 59 7.346 -8.319 3.065 1.00 1.54 H new ATOM 0 HG LEU A 59 6.560 -9.838 1.305 1.00 21.13 H new ATOM 0 HD11 LEU A 59 6.861 -8.342 -0.633 1.00 1.14 H new ATOM 0 HD12 LEU A 59 6.524 -7.436 0.861 1.00 1.14 H new ATOM 0 HD13 LEU A 59 8.183 -7.511 0.222 1.00 1.14 H new ATOM 0 HD21 LEU A 59 8.054 -10.502 -0.548 1.00 21.14 H new ATOM 0 HD22 LEU A 59 9.433 -9.780 0.314 1.00 21.14 H new ATOM 0 HD23 LEU A 59 8.585 -11.182 1.008 1.00 21.14 H new ATOM 890 N GLU A 60 9.439 -7.018 4.714 1.00 22.22 N ATOM 891 CA GLU A 60 9.375 -5.779 5.509 1.00 13.01 C ATOM 892 C GLU A 60 10.452 -4.778 5.039 1.00 71.23 C ATOM 893 O GLU A 60 10.118 -3.682 4.577 1.00 22.54 O ATOM 894 CB GLU A 60 9.496 -6.028 7.030 1.00 10.05 C ATOM 895 CG GLU A 60 8.373 -6.868 7.638 1.00 2.02 C ATOM 896 CD GLU A 60 8.483 -8.341 7.286 1.00 62.43 C ATOM 897 OE1 GLU A 60 9.500 -8.963 7.668 1.00 11.40 O ATOM 898 OE2 GLU A 60 7.569 -8.873 6.626 1.00 13.32 O ATOM 0 H GLU A 60 9.524 -7.877 5.257 1.00 22.22 H new ATOM 0 HA GLU A 60 8.386 -5.352 5.340 1.00 13.01 H new ATOM 0 HB2 GLU A 60 10.447 -6.523 7.228 1.00 10.05 H new ATOM 0 HB3 GLU A 60 9.526 -5.065 7.539 1.00 10.05 H new ATOM 0 HG2 GLU A 60 8.388 -6.756 8.722 1.00 2.02 H new ATOM 0 HG3 GLU A 60 7.412 -6.487 7.292 1.00 2.02 H new ATOM 905 N PRO A 61 11.758 -5.135 5.113 1.00 12.22 N ATOM 906 CA PRO A 61 12.831 -4.245 4.650 1.00 13.35 C ATOM 907 C PRO A 61 12.812 -4.042 3.128 1.00 43.11 C ATOM 908 O PRO A 61 13.387 -3.081 2.618 1.00 34.15 O ATOM 909 CB PRO A 61 14.115 -4.952 5.103 1.00 63.11 C ATOM 910 CG PRO A 61 13.739 -6.386 5.239 1.00 71.51 C ATOM 911 CD PRO A 61 12.295 -6.402 5.659 1.00 12.43 C ATOM 0 HA PRO A 61 12.730 -3.240 5.059 1.00 13.35 H new ATOM 0 HB2 PRO A 61 14.915 -4.821 4.375 1.00 63.11 H new ATOM 0 HB3 PRO A 61 14.476 -4.547 6.049 1.00 63.11 H new ATOM 0 HG2 PRO A 61 13.876 -6.916 4.296 1.00 71.51 H new ATOM 0 HG3 PRO A 61 14.365 -6.884 5.979 1.00 71.51 H new ATOM 0 HD2 PRO A 61 11.770 -7.267 5.254 1.00 12.43 H new ATOM 0 HD3 PRO A 61 12.194 -6.446 6.743 1.00 12.43 H new ATOM 919 N GLN A 62 12.157 -4.950 2.406 1.00 1.44 N ATOM 920 CA GLN A 62 11.978 -4.797 0.960 1.00 53.21 C ATOM 921 C GLN A 62 11.078 -3.604 0.663 1.00 62.33 C ATOM 922 O GLN A 62 11.448 -2.714 -0.106 1.00 30.15 O ATOM 923 CB GLN A 62 11.385 -6.074 0.348 1.00 63.50 C ATOM 924 CG GLN A 62 12.377 -7.230 0.262 1.00 72.31 C ATOM 925 CD GLN A 62 12.914 -7.437 -1.135 1.00 31.11 C ATOM 926 OE1 GLN A 62 13.898 -6.815 -1.534 1.00 35.23 O ATOM 927 NE2 GLN A 62 12.276 -8.327 -1.874 1.00 12.34 N ATOM 0 H GLN A 62 11.742 -5.797 2.795 1.00 1.44 H new ATOM 0 HA GLN A 62 12.955 -4.622 0.510 1.00 53.21 H new ATOM 0 HB2 GLN A 62 10.527 -6.387 0.943 1.00 63.50 H new ATOM 0 HB3 GLN A 62 11.015 -5.849 -0.652 1.00 63.50 H new ATOM 0 HG2 GLN A 62 13.208 -7.041 0.942 1.00 72.31 H new ATOM 0 HG3 GLN A 62 11.891 -8.146 0.599 1.00 72.31 H new ATOM 0 HE21 GLN A 62 11.465 -8.816 -1.496 1.00 12.34 H new ATOM 0 HE22 GLN A 62 12.595 -8.525 -2.822 1.00 12.34 H new ATOM 936 N LEU A 63 9.907 -3.586 1.292 1.00 55.24 N ATOM 937 CA LEU A 63 8.965 -2.485 1.141 1.00 40.25 C ATOM 938 C LEU A 63 9.597 -1.201 1.662 1.00 52.01 C ATOM 939 O LEU A 63 9.467 -0.139 1.055 1.00 31.12 O ATOM 940 CB LEU A 63 7.660 -2.796 1.891 1.00 41.51 C ATOM 941 CG LEU A 63 6.878 -4.010 1.361 1.00 64.44 C ATOM 942 CD1 LEU A 63 5.649 -4.288 2.221 1.00 73.32 C ATOM 943 CD2 LEU A 63 6.481 -3.797 -0.098 1.00 41.13 C ATOM 0 H LEU A 63 9.587 -4.328 1.915 1.00 55.24 H new ATOM 0 HA LEU A 63 8.725 -2.355 0.086 1.00 40.25 H new ATOM 0 HB2 LEU A 63 7.894 -2.965 2.942 1.00 41.51 H new ATOM 0 HB3 LEU A 63 7.014 -1.919 1.845 1.00 41.51 H new ATOM 0 HG LEU A 63 7.529 -4.882 1.416 1.00 64.44 H new ATOM 0 HD11 LEU A 63 5.115 -5.151 1.824 1.00 73.32 H new ATOM 0 HD12 LEU A 63 5.961 -4.494 3.245 1.00 73.32 H new ATOM 0 HD13 LEU A 63 4.992 -3.418 2.209 1.00 73.32 H new ATOM 0 HD21 LEU A 63 5.929 -4.666 -0.455 1.00 41.13 H new ATOM 0 HD22 LEU A 63 5.853 -2.910 -0.178 1.00 41.13 H new ATOM 0 HD23 LEU A 63 7.378 -3.663 -0.703 1.00 41.13 H new ATOM 955 N GLU A 64 10.303 -1.320 2.784 1.00 24.31 N ATOM 956 CA GLU A 64 11.068 -0.210 3.345 1.00 54.52 C ATOM 957 C GLU A 64 12.101 0.307 2.342 1.00 63.34 C ATOM 958 O GLU A 64 12.257 1.513 2.171 1.00 41.21 O ATOM 959 CB GLU A 64 11.757 -0.656 4.640 1.00 24.44 C ATOM 960 CG GLU A 64 10.814 -0.754 5.840 1.00 33.10 C ATOM 961 CD GLU A 64 10.887 0.476 6.730 1.00 71.41 C ATOM 962 OE1 GLU A 64 11.880 0.605 7.481 1.00 74.13 O ATOM 963 OE2 GLU A 64 9.973 1.322 6.675 1.00 64.13 O ATOM 0 H GLU A 64 10.361 -2.182 3.326 1.00 24.31 H new ATOM 0 HA GLU A 64 10.381 0.606 3.568 1.00 54.52 H new ATOM 0 HB2 GLU A 64 12.223 -1.627 4.476 1.00 24.44 H new ATOM 0 HB3 GLU A 64 12.557 0.046 4.875 1.00 24.44 H new ATOM 0 HG2 GLU A 64 9.791 -0.884 5.486 1.00 33.10 H new ATOM 0 HG3 GLU A 64 11.064 -1.639 6.425 1.00 33.10 H new ATOM 970 N LYS A 65 12.783 -0.615 1.665 1.00 54.55 N ATOM 971 CA LYS A 65 13.813 -0.255 0.692 1.00 13.32 C ATOM 972 C LYS A 65 13.195 0.510 -0.471 1.00 11.12 C ATOM 973 O LYS A 65 13.659 1.597 -0.834 1.00 21.14 O ATOM 974 CB LYS A 65 14.540 -1.512 0.179 1.00 51.53 C ATOM 975 CG LYS A 65 15.496 -1.246 -0.986 1.00 2.40 C ATOM 976 CD LYS A 65 16.365 -2.461 -1.333 1.00 62.13 C ATOM 977 CE LYS A 65 15.551 -3.682 -1.770 1.00 71.32 C ATOM 978 NZ LYS A 65 15.030 -4.464 -0.616 1.00 60.11 N ATOM 0 H LYS A 65 12.640 -1.619 1.773 1.00 54.55 H new ATOM 0 HA LYS A 65 14.543 0.386 1.185 1.00 13.32 H new ATOM 0 HB2 LYS A 65 15.101 -1.956 1.002 1.00 51.53 H new ATOM 0 HB3 LYS A 65 13.798 -2.246 -0.134 1.00 51.53 H new ATOM 0 HG2 LYS A 65 14.919 -0.955 -1.864 1.00 2.40 H new ATOM 0 HG3 LYS A 65 16.141 -0.404 -0.735 1.00 2.40 H new ATOM 0 HD2 LYS A 65 17.056 -2.189 -2.131 1.00 62.13 H new ATOM 0 HD3 LYS A 65 16.969 -2.727 -0.465 1.00 62.13 H new ATOM 0 HE2 LYS A 65 14.716 -3.355 -2.389 1.00 71.32 H new ATOM 0 HE3 LYS A 65 16.174 -4.327 -2.390 1.00 71.32 H new ATOM 0 HZ1 LYS A 65 14.364 -5.186 -0.958 1.00 60.11 H new ATOM 0 HZ2 LYS A 65 15.821 -4.927 -0.125 1.00 60.11 H new ATOM 0 HZ3 LYS A 65 14.540 -3.826 0.043 1.00 60.11 H new ATOM 992 N LEU A 66 12.132 -0.054 -1.040 1.00 1.42 N ATOM 993 CA LEU A 66 11.454 0.569 -2.167 1.00 32.05 C ATOM 994 C LEU A 66 10.827 1.892 -1.740 1.00 11.03 C ATOM 995 O LEU A 66 10.755 2.835 -2.524 1.00 11.33 O ATOM 996 CB LEU A 66 10.390 -0.367 -2.760 1.00 3.10 C ATOM 997 CG LEU A 66 10.917 -1.696 -3.322 1.00 2.23 C ATOM 998 CD1 LEU A 66 9.820 -2.422 -4.094 1.00 61.45 C ATOM 999 CD2 LEU A 66 12.148 -1.471 -4.199 1.00 42.13 C ATOM 0 H LEU A 66 11.725 -0.939 -0.738 1.00 1.42 H new ATOM 0 HA LEU A 66 12.194 0.766 -2.943 1.00 32.05 H new ATOM 0 HB2 LEU A 66 9.653 -0.586 -1.988 1.00 3.10 H new ATOM 0 HB3 LEU A 66 9.869 0.163 -3.557 1.00 3.10 H new ATOM 0 HG LEU A 66 11.218 -2.325 -2.484 1.00 2.23 H new ATOM 0 HD11 LEU A 66 10.211 -3.361 -4.485 1.00 61.45 H new ATOM 0 HD12 LEU A 66 8.981 -2.627 -3.429 1.00 61.45 H new ATOM 0 HD13 LEU A 66 9.483 -1.797 -4.921 1.00 61.45 H new ATOM 0 HD21 LEU A 66 12.500 -2.428 -4.584 1.00 42.13 H new ATOM 0 HD22 LEU A 66 11.887 -0.819 -5.032 1.00 42.13 H new ATOM 0 HD23 LEU A 66 12.936 -1.005 -3.607 1.00 42.13 H new ATOM 1011 N ALA A 67 10.393 1.958 -0.484 1.00 32.32 N ATOM 1012 CA ALA A 67 9.854 3.190 0.077 1.00 24.11 C ATOM 1013 C ALA A 67 10.935 4.258 0.109 1.00 14.11 C ATOM 1014 O ALA A 67 10.766 5.337 -0.433 1.00 43.20 O ATOM 1015 CB ALA A 67 9.303 2.950 1.481 1.00 31.41 C ATOM 0 H ALA A 67 10.405 1.170 0.164 1.00 32.32 H new ATOM 0 HA ALA A 67 9.034 3.531 -0.555 1.00 24.11 H new ATOM 0 HB1 ALA A 67 8.906 3.883 1.880 1.00 31.41 H new ATOM 0 HB2 ALA A 67 8.507 2.206 1.437 1.00 31.41 H new ATOM 0 HB3 ALA A 67 10.102 2.589 2.129 1.00 31.41 H new ATOM 1021 N GLN A 68 12.064 3.925 0.721 1.00 24.54 N ATOM 1022 CA GLN A 68 13.187 4.855 0.848 1.00 22.11 C ATOM 1023 C GLN A 68 13.653 5.345 -0.527 1.00 1.12 C ATOM 1024 O GLN A 68 13.995 6.518 -0.699 1.00 13.13 O ATOM 1025 CB GLN A 68 14.354 4.184 1.589 1.00 24.23 C ATOM 1026 CG GLN A 68 14.046 3.840 3.044 1.00 51.11 C ATOM 1027 CD GLN A 68 15.203 3.147 3.745 1.00 72.00 C ATOM 1028 OE1 GLN A 68 15.304 1.918 3.744 1.00 73.44 O ATOM 1029 NE2 GLN A 68 16.084 3.930 4.346 1.00 60.11 N ATOM 0 H GLN A 68 12.230 3.011 1.142 1.00 24.54 H new ATOM 0 HA GLN A 68 12.848 5.717 1.423 1.00 22.11 H new ATOM 0 HB2 GLN A 68 14.630 3.272 1.061 1.00 24.23 H new ATOM 0 HB3 GLN A 68 15.220 4.845 1.558 1.00 24.23 H new ATOM 0 HG2 GLN A 68 13.796 4.754 3.583 1.00 51.11 H new ATOM 0 HG3 GLN A 68 13.167 3.197 3.082 1.00 51.11 H new ATOM 0 HE21 GLN A 68 15.965 4.943 4.324 1.00 60.11 H new ATOM 0 HE22 GLN A 68 16.882 3.521 4.831 1.00 60.11 H new ATOM 1038 N GLN A 69 13.655 4.437 -1.496 1.00 30.31 N ATOM 1039 CA GLN A 69 14.117 4.745 -2.848 1.00 71.43 C ATOM 1040 C GLN A 69 13.081 5.573 -3.618 1.00 65.05 C ATOM 1041 O GLN A 69 13.423 6.534 -4.306 1.00 44.42 O ATOM 1042 CB GLN A 69 14.413 3.437 -3.604 1.00 33.43 C ATOM 1043 CG GLN A 69 15.070 3.637 -4.966 1.00 34.15 C ATOM 1044 CD GLN A 69 16.444 4.281 -4.868 1.00 33.44 C ATOM 1045 OE1 GLN A 69 16.575 5.506 -4.912 1.00 0.11 O ATOM 1046 NE2 GLN A 69 17.474 3.463 -4.726 1.00 75.50 N ATOM 0 H GLN A 69 13.340 3.475 -1.371 1.00 30.31 H new ATOM 0 HA GLN A 69 15.028 5.338 -2.770 1.00 71.43 H new ATOM 0 HB2 GLN A 69 15.061 2.813 -2.988 1.00 33.43 H new ATOM 0 HB3 GLN A 69 13.480 2.890 -3.740 1.00 33.43 H new ATOM 0 HG2 GLN A 69 15.161 2.673 -5.466 1.00 34.15 H new ATOM 0 HG3 GLN A 69 14.426 4.259 -5.587 1.00 34.15 H new ATOM 0 HE21 GLN A 69 17.324 2.455 -4.694 1.00 75.50 H new ATOM 0 HE22 GLN A 69 18.418 3.841 -4.648 1.00 75.50 H new ATOM 1055 N TYR A 70 11.813 5.197 -3.483 1.00 14.43 N ATOM 1056 CA TYR A 70 10.724 5.766 -4.284 1.00 23.40 C ATOM 1057 C TYR A 70 9.859 6.753 -3.492 1.00 23.01 C ATOM 1058 O TYR A 70 8.858 7.239 -4.013 1.00 65.12 O ATOM 1059 CB TYR A 70 9.846 4.651 -4.863 1.00 33.13 C ATOM 1060 CG TYR A 70 10.523 3.805 -5.928 1.00 54.14 C ATOM 1061 CD1 TYR A 70 11.113 4.402 -7.038 1.00 71.20 C ATOM 1062 CD2 TYR A 70 10.548 2.416 -5.842 1.00 15.12 C ATOM 1063 CE1 TYR A 70 11.706 3.643 -8.027 1.00 32.20 C ATOM 1064 CE2 TYR A 70 11.145 1.650 -6.825 1.00 62.40 C ATOM 1065 CZ TYR A 70 11.722 2.268 -7.917 1.00 62.32 C ATOM 1066 OH TYR A 70 12.303 1.508 -8.908 1.00 22.41 O ATOM 0 H TYR A 70 11.507 4.489 -2.816 1.00 14.43 H new ATOM 0 HA TYR A 70 11.191 6.324 -5.095 1.00 23.40 H new ATOM 0 HB2 TYR A 70 9.524 4.000 -4.050 1.00 33.13 H new ATOM 0 HB3 TYR A 70 8.947 5.097 -5.289 1.00 33.13 H new ATOM 0 HD1 TYR A 70 11.107 5.478 -7.127 1.00 71.20 H new ATOM 0 HD2 TYR A 70 10.093 1.929 -4.992 1.00 15.12 H new ATOM 0 HE1 TYR A 70 12.156 4.124 -8.883 1.00 32.20 H new ATOM 0 HE2 TYR A 70 11.160 0.573 -6.740 1.00 62.40 H new ATOM 0 HH TYR A 70 11.611 1.194 -9.527 1.00 22.41 H new ATOM 1076 N THR A 71 10.241 7.052 -2.251 1.00 33.51 N ATOM 1077 CA THR A 71 9.384 7.811 -1.321 1.00 51.31 C ATOM 1078 C THR A 71 8.887 9.130 -1.917 1.00 24.43 C ATOM 1079 O THR A 71 7.879 9.677 -1.463 1.00 60.10 O ATOM 1080 CB THR A 71 10.125 8.132 0.003 1.00 12.44 C ATOM 1081 OG1 THR A 71 9.260 8.857 0.891 1.00 4.42 O ATOM 1082 CG2 THR A 71 11.395 8.943 -0.253 1.00 50.45 C ATOM 0 H THR A 71 11.143 6.781 -1.858 1.00 33.51 H new ATOM 0 HA THR A 71 8.528 7.165 -1.127 1.00 51.31 H new ATOM 0 HB THR A 71 10.410 7.186 0.463 1.00 12.44 H new ATOM 0 HG1 THR A 71 9.737 9.053 1.724 1.00 4.42 H new ATOM 0 HG21 THR A 71 11.891 9.151 0.695 1.00 50.45 H new ATOM 0 HG22 THR A 71 12.066 8.374 -0.896 1.00 50.45 H new ATOM 0 HG23 THR A 71 11.135 9.882 -0.741 1.00 50.45 H new ATOM 1090 N GLU A 72 9.582 9.636 -2.931 1.00 51.43 N ATOM 1091 CA GLU A 72 9.166 10.861 -3.608 1.00 22.41 C ATOM 1092 C GLU A 72 7.791 10.674 -4.252 1.00 61.04 C ATOM 1093 O GLU A 72 6.946 11.570 -4.208 1.00 35.33 O ATOM 1094 CB GLU A 72 10.201 11.267 -4.666 1.00 25.34 C ATOM 1095 CG GLU A 72 11.598 11.477 -4.095 1.00 25.20 C ATOM 1096 CD GLU A 72 12.598 11.940 -5.141 1.00 71.24 C ATOM 1097 OE1 GLU A 72 13.073 11.102 -5.930 1.00 3.21 O ATOM 1098 OE2 GLU A 72 12.923 13.144 -5.170 1.00 12.12 O ATOM 0 H GLU A 72 10.435 9.218 -3.302 1.00 51.43 H new ATOM 0 HA GLU A 72 9.097 11.658 -2.868 1.00 22.41 H new ATOM 0 HB2 GLU A 72 10.243 10.497 -5.437 1.00 25.34 H new ATOM 0 HB3 GLU A 72 9.873 12.186 -5.151 1.00 25.34 H new ATOM 0 HG2 GLU A 72 11.551 12.214 -3.293 1.00 25.20 H new ATOM 0 HG3 GLU A 72 11.948 10.545 -3.652 1.00 25.20 H new ATOM 1105 N ASN A 73 7.573 9.487 -4.819 1.00 14.15 N ATOM 1106 CA ASN A 73 6.337 9.177 -5.544 1.00 52.34 C ATOM 1107 C ASN A 73 5.602 7.985 -4.921 1.00 52.03 C ATOM 1108 O ASN A 73 4.538 7.607 -5.393 1.00 73.31 O ATOM 1109 CB ASN A 73 6.649 8.852 -7.019 1.00 12.12 C ATOM 1110 CG ASN A 73 7.458 9.931 -7.724 1.00 30.41 C ATOM 1111 OD1 ASN A 73 7.365 11.114 -7.404 1.00 74.52 O ATOM 1112 ND2 ASN A 73 8.269 9.523 -8.691 1.00 13.23 N ATOM 0 H ASN A 73 8.242 8.717 -4.790 1.00 14.15 H new ATOM 0 HA ASN A 73 5.696 10.057 -5.481 1.00 52.34 H new ATOM 0 HB2 ASN A 73 7.196 7.910 -7.067 1.00 12.12 H new ATOM 0 HB3 ASN A 73 5.712 8.704 -7.556 1.00 12.12 H new ATOM 0 HD21 ASN A 73 8.841 10.200 -9.196 1.00 13.23 H new ATOM 0 HD22 ASN A 73 8.320 8.533 -8.930 1.00 13.23 H new ATOM 1119 N VAL A 74 6.173 7.386 -3.874 1.00 73.10 N ATOM 1120 CA VAL A 74 5.610 6.168 -3.271 1.00 70.13 C ATOM 1121 C VAL A 74 5.436 6.304 -1.759 1.00 32.43 C ATOM 1122 O VAL A 74 6.360 6.709 -1.053 1.00 72.22 O ATOM 1123 CB VAL A 74 6.508 4.935 -3.571 1.00 53.23 C ATOM 1124 CG1 VAL A 74 6.125 3.727 -2.713 1.00 30.34 C ATOM 1125 CG2 VAL A 74 6.448 4.581 -5.055 1.00 64.31 C ATOM 0 H VAL A 74 7.025 7.721 -3.424 1.00 73.10 H new ATOM 0 HA VAL A 74 4.627 6.024 -3.720 1.00 70.13 H new ATOM 0 HB VAL A 74 7.532 5.204 -3.313 1.00 53.23 H new ATOM 0 HG11 VAL A 74 6.777 2.888 -2.955 1.00 30.34 H new ATOM 0 HG12 VAL A 74 6.235 3.980 -1.659 1.00 30.34 H new ATOM 0 HG13 VAL A 74 5.090 3.452 -2.914 1.00 30.34 H new ATOM 0 HG21 VAL A 74 7.082 3.716 -5.249 1.00 64.31 H new ATOM 0 HG22 VAL A 74 5.420 4.347 -5.332 1.00 64.31 H new ATOM 0 HG23 VAL A 74 6.799 5.427 -5.645 1.00 64.31 H new ATOM 1135 N LYS A 75 4.250 5.938 -1.271 1.00 51.31 N ATOM 1136 CA LYS A 75 3.943 5.954 0.161 1.00 22.21 C ATOM 1137 C LYS A 75 3.138 4.705 0.537 1.00 62.02 C ATOM 1138 O LYS A 75 2.078 4.450 -0.037 1.00 31.01 O ATOM 1139 CB LYS A 75 3.147 7.227 0.535 1.00 23.10 C ATOM 1140 CG LYS A 75 3.913 8.230 1.404 1.00 70.30 C ATOM 1141 CD LYS A 75 5.119 8.828 0.679 1.00 71.13 C ATOM 1142 CE LYS A 75 5.883 9.815 1.551 1.00 65.53 C ATOM 1143 NZ LYS A 75 7.068 10.369 0.843 1.00 14.42 N ATOM 0 H LYS A 75 3.476 5.623 -1.856 1.00 51.31 H new ATOM 0 HA LYS A 75 4.881 5.957 0.716 1.00 22.21 H new ATOM 0 HB2 LYS A 75 2.835 7.726 -0.382 1.00 23.10 H new ATOM 0 HB3 LYS A 75 2.240 6.930 1.061 1.00 23.10 H new ATOM 0 HG2 LYS A 75 3.240 9.032 1.707 1.00 70.30 H new ATOM 0 HG3 LYS A 75 4.249 7.735 2.315 1.00 70.30 H new ATOM 0 HD2 LYS A 75 5.789 8.026 0.369 1.00 71.13 H new ATOM 0 HD3 LYS A 75 4.783 9.331 -0.228 1.00 71.13 H new ATOM 0 HE2 LYS A 75 5.221 10.629 1.845 1.00 65.53 H new ATOM 0 HE3 LYS A 75 6.205 9.319 2.467 1.00 65.53 H new ATOM 0 HZ1 LYS A 75 7.189 11.370 1.099 1.00 14.42 H new ATOM 0 HZ2 LYS A 75 7.918 9.836 1.119 1.00 14.42 H new ATOM 0 HZ3 LYS A 75 6.927 10.289 -0.184 1.00 14.42 H new ATOM 1157 N ILE A 76 3.646 3.919 1.488 1.00 21.04 N ATOM 1158 CA ILE A 76 2.930 2.736 1.974 1.00 72.11 C ATOM 1159 C ILE A 76 2.216 3.068 3.285 1.00 41.53 C ATOM 1160 O ILE A 76 2.719 3.860 4.086 1.00 51.40 O ATOM 1161 CB ILE A 76 3.860 1.510 2.221 1.00 23.24 C ATOM 1162 CG1 ILE A 76 4.677 1.139 0.967 1.00 63.52 C ATOM 1163 CG2 ILE A 76 3.030 0.310 2.670 1.00 64.12 C ATOM 1164 CD1 ILE A 76 5.835 2.069 0.669 1.00 35.50 C ATOM 0 H ILE A 76 4.548 4.079 1.937 1.00 21.04 H new ATOM 0 HA ILE A 76 2.222 2.464 1.191 1.00 72.11 H new ATOM 0 HB ILE A 76 4.566 1.787 3.004 1.00 23.24 H new ATOM 0 HG12 ILE A 76 5.063 0.127 1.088 1.00 63.52 H new ATOM 0 HG13 ILE A 76 4.009 1.125 0.106 1.00 63.52 H new ATOM 0 HG21 ILE A 76 3.687 -0.543 2.841 1.00 64.12 H new ATOM 0 HG22 ILE A 76 2.506 0.555 3.594 1.00 64.12 H new ATOM 0 HG23 ILE A 76 2.304 0.060 1.896 1.00 64.12 H new ATOM 0 HD11 ILE A 76 6.352 1.731 -0.229 1.00 35.50 H new ATOM 0 HD12 ILE A 76 5.459 3.080 0.512 1.00 35.50 H new ATOM 0 HD13 ILE A 76 6.529 2.067 1.509 1.00 35.50 H new ATOM 1176 N TYR A 77 1.054 2.460 3.499 1.00 22.44 N ATOM 1177 CA TYR A 77 0.258 2.679 4.704 1.00 74.23 C ATOM 1178 C TYR A 77 -0.184 1.341 5.299 1.00 21.53 C ATOM 1179 O TYR A 77 -0.500 0.404 4.572 1.00 42.44 O ATOM 1180 CB TYR A 77 -0.973 3.536 4.382 1.00 52.43 C ATOM 1181 CG TYR A 77 -0.650 4.937 3.896 1.00 5.43 C ATOM 1182 CD1 TYR A 77 -0.473 5.199 2.544 1.00 72.24 C ATOM 1183 CD2 TYR A 77 -0.533 5.998 4.786 1.00 14.01 C ATOM 1184 CE1 TYR A 77 -0.189 6.473 2.092 1.00 11.12 C ATOM 1185 CE2 TYR A 77 -0.246 7.275 4.343 1.00 70.23 C ATOM 1186 CZ TYR A 77 -0.078 7.507 2.995 1.00 71.05 C ATOM 1187 OH TYR A 77 0.205 8.779 2.551 1.00 63.22 O ATOM 0 H TYR A 77 0.636 1.801 2.842 1.00 22.44 H new ATOM 0 HA TYR A 77 0.875 3.205 5.433 1.00 74.23 H new ATOM 0 HB2 TYR A 77 -1.566 3.028 3.621 1.00 52.43 H new ATOM 0 HB3 TYR A 77 -1.594 3.608 5.275 1.00 52.43 H new ATOM 0 HD1 TYR A 77 -0.559 4.391 1.832 1.00 72.24 H new ATOM 0 HD2 TYR A 77 -0.669 5.821 5.843 1.00 14.01 H new ATOM 0 HE1 TYR A 77 -0.055 6.657 1.036 1.00 11.12 H new ATOM 0 HE2 TYR A 77 -0.154 8.087 5.049 1.00 70.23 H new ATOM 0 HH TYR A 77 0.248 9.390 3.316 1.00 63.22 H new ATOM 1197 N LYS A 78 -0.203 1.267 6.626 1.00 34.10 N ATOM 1198 CA LYS A 78 -0.611 0.062 7.348 1.00 55.04 C ATOM 1199 C LYS A 78 -1.935 0.305 8.062 1.00 5.14 C ATOM 1200 O LYS A 78 -2.100 1.329 8.725 1.00 74.22 O ATOM 1201 CB LYS A 78 0.462 -0.321 8.381 1.00 62.53 C ATOM 1202 CG LYS A 78 1.807 -0.708 7.771 1.00 5.23 C ATOM 1203 CD LYS A 78 2.934 -0.701 8.808 1.00 33.34 C ATOM 1204 CE LYS A 78 3.163 0.698 9.372 1.00 74.22 C ATOM 1205 NZ LYS A 78 4.339 0.768 10.284 1.00 74.43 N ATOM 0 H LYS A 78 0.064 2.041 7.234 1.00 34.10 H new ATOM 0 HA LYS A 78 -0.730 -0.751 6.632 1.00 55.04 H new ATOM 0 HB2 LYS A 78 0.612 0.518 9.061 1.00 62.53 H new ATOM 0 HB3 LYS A 78 0.094 -1.154 8.979 1.00 62.53 H new ATOM 0 HG2 LYS A 78 1.731 -1.700 7.326 1.00 5.23 H new ATOM 0 HG3 LYS A 78 2.052 -0.016 6.966 1.00 5.23 H new ATOM 0 HD2 LYS A 78 2.688 -1.386 9.619 1.00 33.34 H new ATOM 0 HD3 LYS A 78 3.854 -1.066 8.350 1.00 33.34 H new ATOM 0 HE2 LYS A 78 3.306 1.398 8.549 1.00 74.22 H new ATOM 0 HE3 LYS A 78 2.271 1.018 9.911 1.00 74.22 H new ATOM 0 HZ1 LYS A 78 4.427 1.732 10.664 1.00 74.43 H new ATOM 0 HZ2 LYS A 78 4.210 0.097 11.068 1.00 74.43 H new ATOM 0 HZ3 LYS A 78 5.202 0.523 9.757 1.00 74.43 H new ATOM 1219 N ILE A 79 -2.873 -0.622 7.920 1.00 32.25 N ATOM 1220 CA ILE A 79 -4.131 -0.557 8.658 1.00 21.44 C ATOM 1221 C ILE A 79 -3.929 -1.223 10.028 1.00 15.41 C ATOM 1222 O ILE A 79 -3.914 -2.445 10.149 1.00 35.52 O ATOM 1223 CB ILE A 79 -5.303 -1.199 7.841 1.00 73.43 C ATOM 1224 CG1 ILE A 79 -6.669 -1.038 8.553 1.00 53.10 C ATOM 1225 CG2 ILE A 79 -5.020 -2.668 7.513 1.00 34.40 C ATOM 1226 CD1 ILE A 79 -6.952 -2.052 9.646 1.00 32.43 C ATOM 0 H ILE A 79 -2.788 -1.428 7.301 1.00 32.25 H new ATOM 0 HA ILE A 79 -4.418 0.483 8.817 1.00 21.44 H new ATOM 0 HB ILE A 79 -5.366 -0.653 6.900 1.00 73.43 H new ATOM 0 HG12 ILE A 79 -6.720 -0.039 8.985 1.00 53.10 H new ATOM 0 HG13 ILE A 79 -7.460 -1.103 7.806 1.00 53.10 H new ATOM 0 HG21 ILE A 79 -5.854 -3.081 6.946 1.00 34.40 H new ATOM 0 HG22 ILE A 79 -4.108 -2.739 6.921 1.00 34.40 H new ATOM 0 HG23 ILE A 79 -4.897 -3.230 8.439 1.00 34.40 H new ATOM 0 HD11 ILE A 79 -7.931 -1.854 10.082 1.00 32.43 H new ATOM 0 HD12 ILE A 79 -6.940 -3.056 9.223 1.00 32.43 H new ATOM 0 HD13 ILE A 79 -6.188 -1.975 10.420 1.00 32.43 H new ATOM 1238 N ASN A 80 -3.712 -0.400 11.048 1.00 11.40 N ATOM 1239 CA ASN A 80 -3.319 -0.888 12.374 1.00 3.41 C ATOM 1240 C ASN A 80 -4.507 -1.393 13.187 1.00 1.22 C ATOM 1241 O ASN A 80 -4.458 -2.477 13.769 1.00 44.45 O ATOM 1242 CB ASN A 80 -2.601 0.221 13.149 1.00 14.21 C ATOM 1243 CG ASN A 80 -1.278 0.613 12.516 1.00 20.01 C ATOM 1244 OD1 ASN A 80 -1.233 1.449 11.618 1.00 42.23 O ATOM 1245 ND2 ASN A 80 -0.194 0.020 12.989 1.00 13.24 N ATOM 0 H ASN A 80 -3.801 0.614 10.986 1.00 11.40 H new ATOM 0 HA ASN A 80 -2.647 -1.732 12.217 1.00 3.41 H new ATOM 0 HB2 ASN A 80 -3.247 1.097 13.204 1.00 14.21 H new ATOM 0 HB3 ASN A 80 -2.426 -0.111 14.172 1.00 14.21 H new ATOM 0 HD21 ASN A 80 0.723 0.252 12.606 1.00 13.24 H new ATOM 0 HD22 ASN A 80 -0.275 -0.670 13.736 1.00 13.24 H new ATOM 1252 N ILE A 81 -5.566 -0.597 13.236 1.00 5.24 N ATOM 1253 CA ILE A 81 -6.708 -0.892 14.096 1.00 40.13 C ATOM 1254 C ILE A 81 -7.604 -1.965 13.473 1.00 74.44 C ATOM 1255 O ILE A 81 -8.322 -1.703 12.509 1.00 2.14 O ATOM 1256 CB ILE A 81 -7.539 0.384 14.379 1.00 12.23 C ATOM 1257 CG1 ILE A 81 -6.635 1.516 14.900 1.00 52.55 C ATOM 1258 CG2 ILE A 81 -8.656 0.086 15.380 1.00 3.40 C ATOM 1259 CD1 ILE A 81 -7.367 2.823 15.135 1.00 54.01 C ATOM 0 H ILE A 81 -5.660 0.260 12.690 1.00 5.24 H new ATOM 0 HA ILE A 81 -6.314 -1.269 15.040 1.00 40.13 H new ATOM 0 HB ILE A 81 -7.993 0.711 13.444 1.00 12.23 H new ATOM 0 HG12 ILE A 81 -6.170 1.197 15.833 1.00 52.55 H new ATOM 0 HG13 ILE A 81 -5.830 1.684 14.185 1.00 52.55 H new ATOM 0 HG21 ILE A 81 -9.229 0.994 15.567 1.00 3.40 H new ATOM 0 HG22 ILE A 81 -9.314 -0.681 14.973 1.00 3.40 H new ATOM 0 HG23 ILE A 81 -8.222 -0.268 16.315 1.00 3.40 H new ATOM 0 HD11 ILE A 81 -6.665 3.572 15.501 1.00 54.01 H new ATOM 0 HD12 ILE A 81 -7.809 3.166 14.199 1.00 54.01 H new ATOM 0 HD13 ILE A 81 -8.154 2.671 15.874 1.00 54.01 H new ATOM 1271 N GLU A 82 -7.554 -3.170 14.035 1.00 74.13 N ATOM 1272 CA GLU A 82 -8.364 -4.298 13.568 1.00 33.01 C ATOM 1273 C GLU A 82 -9.863 -3.997 13.681 1.00 53.51 C ATOM 1274 O GLU A 82 -10.693 -4.653 13.046 1.00 32.04 O ATOM 1275 CB GLU A 82 -7.995 -5.585 14.321 1.00 24.23 C ATOM 1276 CG GLU A 82 -8.147 -5.507 15.837 1.00 34.42 C ATOM 1277 CD GLU A 82 -7.689 -6.784 16.524 1.00 70.24 C ATOM 1278 OE1 GLU A 82 -8.444 -7.780 16.504 1.00 32.13 O ATOM 1279 OE2 GLU A 82 -6.561 -6.808 17.065 1.00 23.32 O ATOM 0 H GLU A 82 -6.952 -3.395 14.827 1.00 74.13 H new ATOM 0 HA GLU A 82 -8.143 -4.452 12.512 1.00 33.01 H new ATOM 0 HB2 GLU A 82 -8.619 -6.398 13.949 1.00 24.23 H new ATOM 0 HB3 GLU A 82 -6.962 -5.843 14.087 1.00 24.23 H new ATOM 0 HG2 GLU A 82 -7.569 -4.664 16.216 1.00 34.42 H new ATOM 0 HG3 GLU A 82 -9.191 -5.316 16.087 1.00 34.42 H new ATOM 1286 N ASP A 83 -10.205 -2.993 14.486 1.00 34.42 N ATOM 1287 CA ASP A 83 -11.599 -2.573 14.653 1.00 53.41 C ATOM 1288 C ASP A 83 -12.095 -1.905 13.374 1.00 4.15 C ATOM 1289 O ASP A 83 -13.303 -1.830 13.121 1.00 21.12 O ATOM 1290 CB ASP A 83 -11.736 -1.579 15.816 1.00 63.42 C ATOM 1291 CG ASP A 83 -11.404 -2.179 17.171 1.00 3.34 C ATOM 1292 OD1 ASP A 83 -10.219 -2.469 17.426 1.00 71.30 O ATOM 1293 OD2 ASP A 83 -12.333 -2.353 17.987 1.00 62.44 O ATOM 0 H ASP A 83 -9.536 -2.453 15.035 1.00 34.42 H new ATOM 0 HA ASP A 83 -12.195 -3.459 14.870 1.00 53.41 H new ATOM 0 HB2 ASP A 83 -11.080 -0.728 15.634 1.00 63.42 H new ATOM 0 HB3 ASP A 83 -12.756 -1.196 15.838 1.00 63.42 H new ATOM 1298 N ASN A 84 -11.151 -1.447 12.557 1.00 21.44 N ATOM 1299 CA ASN A 84 -11.457 -0.823 11.272 1.00 23.33 C ATOM 1300 C ASN A 84 -11.639 -1.902 10.205 1.00 33.24 C ATOM 1301 O ASN A 84 -11.199 -1.750 9.063 1.00 65.23 O ATOM 1302 CB ASN A 84 -10.332 0.140 10.864 1.00 40.35 C ATOM 1303 CG ASN A 84 -10.059 1.227 11.895 1.00 33.13 C ATOM 1304 OD1 ASN A 84 -8.947 1.748 11.976 1.00 3.14 O ATOM 1305 ND2 ASN A 84 -11.062 1.585 12.685 1.00 21.24 N ATOM 0 H ASN A 84 -10.154 -1.497 12.766 1.00 21.44 H new ATOM 0 HA ASN A 84 -12.382 -0.254 11.367 1.00 23.33 H new ATOM 0 HB2 ASN A 84 -9.418 -0.431 10.699 1.00 40.35 H new ATOM 0 HB3 ASN A 84 -10.592 0.608 9.914 1.00 40.35 H new ATOM 0 HD21 ASN A 84 -10.924 2.313 13.386 1.00 21.24 H new ATOM 0 HD22 ASN A 84 -11.971 1.133 12.591 1.00 21.24 H new ATOM 1312 N GLN A 85 -12.319 -2.980 10.592 1.00 73.33 N ATOM 1313 CA GLN A 85 -12.519 -4.147 9.736 1.00 65.33 C ATOM 1314 C GLN A 85 -13.157 -3.753 8.399 1.00 74.45 C ATOM 1315 O GLN A 85 -12.971 -4.440 7.387 1.00 4.21 O ATOM 1316 CB GLN A 85 -13.416 -5.165 10.461 1.00 70.54 C ATOM 1317 CG GLN A 85 -13.333 -6.577 9.897 1.00 71.11 C ATOM 1318 CD GLN A 85 -12.034 -7.274 10.268 1.00 44.15 C ATOM 1319 OE1 GLN A 85 -11.954 -7.961 11.287 1.00 51.00 O ATOM 1320 NE2 GLN A 85 -11.001 -7.089 9.459 1.00 61.14 N ATOM 0 H GLN A 85 -12.749 -3.068 11.513 1.00 73.33 H new ATOM 0 HA GLN A 85 -11.546 -4.592 9.527 1.00 65.33 H new ATOM 0 HB2 GLN A 85 -13.141 -5.189 11.516 1.00 70.54 H new ATOM 0 HB3 GLN A 85 -14.450 -4.824 10.409 1.00 70.54 H new ATOM 0 HG2 GLN A 85 -14.175 -7.163 10.266 1.00 71.11 H new ATOM 0 HG3 GLN A 85 -13.424 -6.538 8.812 1.00 71.11 H new ATOM 0 HE21 GLN A 85 -11.104 -6.513 8.623 1.00 61.14 H new ATOM 0 HE22 GLN A 85 -10.103 -7.522 9.672 1.00 61.14 H new ATOM 1329 N ASP A 86 -13.876 -2.625 8.413 1.00 5.13 N ATOM 1330 CA ASP A 86 -14.643 -2.140 7.261 1.00 3.34 C ATOM 1331 C ASP A 86 -13.895 -2.333 5.954 1.00 42.44 C ATOM 1332 O ASP A 86 -14.391 -2.988 5.043 1.00 24.04 O ATOM 1333 CB ASP A 86 -14.982 -0.654 7.432 1.00 5.40 C ATOM 1334 CG ASP A 86 -15.927 -0.403 8.587 1.00 71.10 C ATOM 1335 OD1 ASP A 86 -17.156 -0.439 8.365 1.00 1.02 O ATOM 1336 OD2 ASP A 86 -15.445 -0.187 9.724 1.00 40.22 O ATOM 0 H ASP A 86 -13.942 -2.019 9.231 1.00 5.13 H new ATOM 0 HA ASP A 86 -15.559 -2.729 7.219 1.00 3.34 H new ATOM 0 HB2 ASP A 86 -14.062 -0.091 7.591 1.00 5.40 H new ATOM 0 HB3 ASP A 86 -15.431 -0.279 6.512 1.00 5.40 H new ATOM 1341 N VAL A 87 -12.686 -1.789 5.882 1.00 32.44 N ATOM 1342 CA VAL A 87 -11.910 -1.792 4.643 1.00 42.01 C ATOM 1343 C VAL A 87 -11.788 -3.207 4.075 1.00 0.21 C ATOM 1344 O VAL A 87 -11.875 -3.407 2.861 1.00 61.22 O ATOM 1345 CB VAL A 87 -10.495 -1.197 4.864 1.00 22.32 C ATOM 1346 CG1 VAL A 87 -9.706 -1.155 3.555 1.00 22.22 C ATOM 1347 CG2 VAL A 87 -10.585 0.194 5.494 1.00 13.12 C ATOM 0 H VAL A 87 -12.219 -1.338 6.669 1.00 32.44 H new ATOM 0 HA VAL A 87 -12.444 -1.168 3.927 1.00 42.01 H new ATOM 0 HB VAL A 87 -9.959 -1.848 5.555 1.00 22.32 H new ATOM 0 HG11 VAL A 87 -8.718 -0.733 3.739 1.00 22.22 H new ATOM 0 HG12 VAL A 87 -9.602 -2.166 3.161 1.00 22.22 H new ATOM 0 HG13 VAL A 87 -10.235 -0.536 2.831 1.00 22.22 H new ATOM 0 HG21 VAL A 87 -9.581 0.593 5.640 1.00 13.12 H new ATOM 0 HG22 VAL A 87 -11.146 0.856 4.835 1.00 13.12 H new ATOM 0 HG23 VAL A 87 -11.092 0.125 6.456 1.00 13.12 H new ATOM 1357 N ALA A 88 -11.634 -4.192 4.956 1.00 2.15 N ATOM 1358 CA ALA A 88 -11.445 -5.573 4.529 1.00 22.22 C ATOM 1359 C ALA A 88 -12.717 -6.113 3.878 1.00 3.35 C ATOM 1360 O ALA A 88 -12.702 -6.566 2.730 1.00 41.45 O ATOM 1361 CB ALA A 88 -11.033 -6.445 5.710 1.00 12.43 C ATOM 0 H ALA A 88 -11.637 -4.059 5.967 1.00 2.15 H new ATOM 0 HA ALA A 88 -10.646 -5.598 3.788 1.00 22.22 H new ATOM 0 HB1 ALA A 88 -10.896 -7.473 5.373 1.00 12.43 H new ATOM 0 HB2 ALA A 88 -10.098 -6.073 6.128 1.00 12.43 H new ATOM 0 HB3 ALA A 88 -11.810 -6.414 6.474 1.00 12.43 H new ATOM 1367 N THR A 89 -13.821 -6.023 4.608 1.00 13.13 N ATOM 1368 CA THR A 89 -15.097 -6.557 4.150 1.00 4.01 C ATOM 1369 C THR A 89 -15.623 -5.773 2.944 1.00 15.14 C ATOM 1370 O THR A 89 -16.213 -6.346 2.024 1.00 24.50 O ATOM 1371 CB THR A 89 -16.137 -6.512 5.294 1.00 4.50 C ATOM 1372 OG1 THR A 89 -15.575 -7.103 6.476 1.00 30.23 O ATOM 1373 CG2 THR A 89 -17.423 -7.245 4.914 1.00 40.24 C ATOM 0 H THR A 89 -13.858 -5.582 5.527 1.00 13.13 H new ATOM 0 HA THR A 89 -14.937 -7.592 3.846 1.00 4.01 H new ATOM 0 HB THR A 89 -16.389 -5.468 5.481 1.00 4.50 H new ATOM 0 HG1 THR A 89 -16.233 -7.073 7.201 1.00 30.23 H new ATOM 0 HG21 THR A 89 -18.130 -7.192 5.742 1.00 40.24 H new ATOM 0 HG22 THR A 89 -17.861 -6.778 4.032 1.00 40.24 H new ATOM 0 HG23 THR A 89 -17.196 -8.289 4.696 1.00 40.24 H new ATOM 1381 N GLN A 90 -15.379 -4.465 2.950 1.00 12.31 N ATOM 1382 CA GLN A 90 -15.896 -3.572 1.919 1.00 73.15 C ATOM 1383 C GLN A 90 -15.121 -3.717 0.612 1.00 53.31 C ATOM 1384 O GLN A 90 -15.709 -3.715 -0.471 1.00 74.04 O ATOM 1385 CB GLN A 90 -15.854 -2.113 2.407 1.00 2.35 C ATOM 1386 CG GLN A 90 -16.736 -1.836 3.629 1.00 2.43 C ATOM 1387 CD GLN A 90 -18.226 -2.020 3.368 1.00 20.23 C ATOM 1388 OE1 GLN A 90 -18.637 -2.820 2.531 1.00 10.41 O ATOM 1389 NE2 GLN A 90 -19.052 -1.294 4.106 1.00 62.42 N ATOM 0 H GLN A 90 -14.821 -3.998 3.665 1.00 12.31 H new ATOM 0 HA GLN A 90 -16.931 -3.852 1.724 1.00 73.15 H new ATOM 0 HB2 GLN A 90 -14.824 -1.852 2.649 1.00 2.35 H new ATOM 0 HB3 GLN A 90 -16.165 -1.460 1.592 1.00 2.35 H new ATOM 0 HG2 GLN A 90 -16.435 -2.498 4.440 1.00 2.43 H new ATOM 0 HG3 GLN A 90 -16.560 -0.815 3.969 1.00 2.43 H new ATOM 0 HE21 GLN A 90 -18.680 -0.638 4.793 1.00 62.42 H new ATOM 0 HE22 GLN A 90 -20.060 -1.391 3.988 1.00 62.42 H new ATOM 1398 N TYR A 91 -13.798 -3.836 0.706 1.00 64.40 N ATOM 1399 CA TYR A 91 -12.965 -3.990 -0.486 1.00 55.31 C ATOM 1400 C TYR A 91 -12.815 -5.463 -0.855 1.00 64.20 C ATOM 1401 O TYR A 91 -12.351 -5.796 -1.948 1.00 40.25 O ATOM 1402 CB TYR A 91 -11.600 -3.318 -0.279 1.00 64.34 C ATOM 1403 CG TYR A 91 -11.688 -1.800 -0.267 1.00 20.12 C ATOM 1404 CD1 TYR A 91 -12.254 -1.121 0.808 1.00 14.31 C ATOM 1405 CD2 TYR A 91 -11.224 -1.046 -1.339 1.00 72.31 C ATOM 1406 CE1 TYR A 91 -12.358 0.256 0.810 1.00 60.13 C ATOM 1407 CE2 TYR A 91 -11.319 0.331 -1.340 1.00 31.51 C ATOM 1408 CZ TYR A 91 -11.887 0.976 -0.264 1.00 50.24 C ATOM 1409 OH TYR A 91 -11.997 2.348 -0.272 1.00 41.12 O ATOM 0 H TYR A 91 -13.283 -3.829 1.586 1.00 64.40 H new ATOM 0 HA TYR A 91 -13.458 -3.492 -1.321 1.00 55.31 H new ATOM 0 HB2 TYR A 91 -11.170 -3.660 0.663 1.00 64.34 H new ATOM 0 HB3 TYR A 91 -10.921 -3.632 -1.072 1.00 64.34 H new ATOM 0 HD1 TYR A 91 -12.619 -1.681 1.656 1.00 14.31 H new ATOM 0 HD2 TYR A 91 -10.781 -1.547 -2.187 1.00 72.31 H new ATOM 0 HE1 TYR A 91 -12.807 0.765 1.650 1.00 60.13 H new ATOM 0 HE2 TYR A 91 -10.950 0.900 -2.181 1.00 31.51 H new ATOM 0 HH TYR A 91 -11.615 2.702 -1.102 1.00 41.12 H new ATOM 1419 N GLY A 92 -13.221 -6.345 0.059 1.00 72.41 N ATOM 1420 CA GLY A 92 -13.271 -7.763 -0.244 1.00 54.44 C ATOM 1421 C GLY A 92 -11.912 -8.423 -0.161 1.00 30.54 C ATOM 1422 O GLY A 92 -11.529 -9.194 -1.044 1.00 60.22 O ATOM 0 H GLY A 92 -13.516 -6.099 1.004 1.00 72.41 H new ATOM 0 HA2 GLY A 92 -13.953 -8.255 0.449 1.00 54.44 H new ATOM 0 HA3 GLY A 92 -13.678 -7.903 -1.245 1.00 54.44 H new ATOM 1426 N VAL A 93 -11.177 -8.113 0.899 1.00 74.20 N ATOM 1427 CA VAL A 93 -9.879 -8.730 1.141 1.00 14.03 C ATOM 1428 C VAL A 93 -10.078 -10.185 1.569 1.00 23.22 C ATOM 1429 O VAL A 93 -10.331 -10.471 2.742 1.00 75.04 O ATOM 1430 CB VAL A 93 -9.079 -7.952 2.217 1.00 21.33 C ATOM 1431 CG1 VAL A 93 -7.690 -8.554 2.415 1.00 62.44 C ATOM 1432 CG2 VAL A 93 -8.977 -6.472 1.845 1.00 71.23 C ATOM 0 H VAL A 93 -11.459 -7.435 1.607 1.00 74.20 H new ATOM 0 HA VAL A 93 -9.302 -8.700 0.217 1.00 14.03 H new ATOM 0 HB VAL A 93 -9.617 -8.036 3.161 1.00 21.33 H new ATOM 0 HG11 VAL A 93 -7.153 -7.987 3.175 1.00 62.44 H new ATOM 0 HG12 VAL A 93 -7.785 -9.591 2.736 1.00 62.44 H new ATOM 0 HG13 VAL A 93 -7.139 -8.514 1.476 1.00 62.44 H new ATOM 0 HG21 VAL A 93 -8.412 -5.942 2.612 1.00 71.23 H new ATOM 0 HG22 VAL A 93 -8.469 -6.372 0.886 1.00 71.23 H new ATOM 0 HG23 VAL A 93 -9.977 -6.046 1.772 1.00 71.23 H new ATOM 1442 N SER A 94 -10.003 -11.090 0.595 1.00 53.14 N ATOM 1443 CA SER A 94 -10.272 -12.509 0.813 1.00 72.31 C ATOM 1444 C SER A 94 -9.341 -13.115 1.865 1.00 32.02 C ATOM 1445 O SER A 94 -9.768 -13.933 2.685 1.00 5.53 O ATOM 1446 CB SER A 94 -10.138 -13.268 -0.510 1.00 4.35 C ATOM 1447 OG SER A 94 -10.985 -12.706 -1.500 1.00 73.21 O ATOM 0 H SER A 94 -9.754 -10.860 -0.367 1.00 53.14 H new ATOM 0 HA SER A 94 -11.291 -12.601 1.190 1.00 72.31 H new ATOM 0 HB2 SER A 94 -9.103 -13.236 -0.850 1.00 4.35 H new ATOM 0 HB3 SER A 94 -10.392 -14.317 -0.360 1.00 4.35 H new ATOM 0 HG SER A 94 -10.884 -13.204 -2.338 1.00 73.21 H new ATOM 1453 N ALA A 95 -8.074 -12.710 1.844 1.00 54.02 N ATOM 1454 CA ALA A 95 -7.077 -13.248 2.764 1.00 74.34 C ATOM 1455 C ALA A 95 -6.350 -12.114 3.471 1.00 11.12 C ATOM 1456 O ALA A 95 -6.112 -11.067 2.878 1.00 35.40 O ATOM 1457 CB ALA A 95 -6.088 -14.133 2.014 1.00 35.21 C ATOM 0 H ALA A 95 -7.713 -12.009 1.197 1.00 54.02 H new ATOM 0 HA ALA A 95 -7.583 -13.856 3.514 1.00 74.34 H new ATOM 0 HB1 ALA A 95 -5.350 -14.527 2.713 1.00 35.21 H new ATOM 0 HB2 ALA A 95 -6.622 -14.960 1.545 1.00 35.21 H new ATOM 0 HB3 ALA A 95 -5.583 -13.546 1.247 1.00 35.21 H new ATOM 1463 N ILE A 96 -5.997 -12.332 4.736 1.00 31.02 N ATOM 1464 CA ILE A 96 -5.309 -11.316 5.538 1.00 33.35 C ATOM 1465 C ILE A 96 -4.026 -10.815 4.848 1.00 23.10 C ATOM 1466 O ILE A 96 -3.825 -9.606 4.733 1.00 31.25 O ATOM 1467 CB ILE A 96 -4.967 -11.842 6.961 1.00 62.01 C ATOM 1468 CG1 ILE A 96 -6.238 -12.353 7.665 1.00 1.02 C ATOM 1469 CG2 ILE A 96 -4.289 -10.750 7.792 1.00 34.01 C ATOM 1470 CD1 ILE A 96 -5.988 -12.946 9.039 1.00 44.41 C ATOM 0 H ILE A 96 -6.176 -13.206 5.231 1.00 31.02 H new ATOM 0 HA ILE A 96 -6.001 -10.479 5.633 1.00 33.35 H new ATOM 0 HB ILE A 96 -4.271 -12.675 6.863 1.00 62.01 H new ATOM 0 HG12 ILE A 96 -6.945 -11.528 7.760 1.00 1.02 H new ATOM 0 HG13 ILE A 96 -6.711 -13.107 7.036 1.00 1.02 H new ATOM 0 HG21 ILE A 96 -4.058 -11.138 8.784 1.00 34.01 H new ATOM 0 HG22 ILE A 96 -3.367 -10.438 7.301 1.00 34.01 H new ATOM 0 HG23 ILE A 96 -4.958 -9.895 7.884 1.00 34.01 H new ATOM 0 HD11 ILE A 96 -6.932 -13.282 9.467 1.00 44.41 H new ATOM 0 HD12 ILE A 96 -5.307 -13.793 8.951 1.00 44.41 H new ATOM 0 HD13 ILE A 96 -5.545 -12.190 9.687 1.00 44.41 H new ATOM 1482 N PRO A 97 -3.131 -11.724 4.375 1.00 70.44 N ATOM 1483 CA PRO A 97 -1.898 -11.314 3.688 1.00 44.24 C ATOM 1484 C PRO A 97 -2.180 -10.699 2.317 1.00 40.31 C ATOM 1485 O PRO A 97 -2.102 -11.379 1.290 1.00 52.04 O ATOM 1486 CB PRO A 97 -1.101 -12.625 3.557 1.00 35.41 C ATOM 1487 CG PRO A 97 -2.139 -13.694 3.564 1.00 75.43 C ATOM 1488 CD PRO A 97 -3.232 -13.199 4.474 1.00 52.32 C ATOM 0 HA PRO A 97 -1.360 -10.540 4.235 1.00 44.24 H new ATOM 0 HB2 PRO A 97 -0.517 -12.644 2.637 1.00 35.41 H new ATOM 0 HB3 PRO A 97 -0.399 -12.747 4.382 1.00 35.41 H new ATOM 0 HG2 PRO A 97 -2.520 -13.876 2.559 1.00 75.43 H new ATOM 0 HG3 PRO A 97 -1.727 -14.637 3.924 1.00 75.43 H new ATOM 0 HD2 PRO A 97 -4.211 -13.556 4.154 1.00 52.32 H new ATOM 0 HD3 PRO A 97 -3.086 -13.542 5.498 1.00 52.32 H new ATOM 1496 N THR A 98 -2.531 -9.413 2.307 1.00 62.02 N ATOM 1497 CA THR A 98 -2.836 -8.709 1.066 1.00 51.20 C ATOM 1498 C THR A 98 -2.412 -7.236 1.135 1.00 72.33 C ATOM 1499 O THR A 98 -2.509 -6.588 2.187 1.00 31.21 O ATOM 1500 CB THR A 98 -4.347 -8.799 0.737 1.00 4.21 C ATOM 1501 OG1 THR A 98 -4.767 -10.171 0.724 1.00 72.34 O ATOM 1502 CG2 THR A 98 -4.659 -8.169 -0.613 1.00 33.43 C ATOM 0 H THR A 98 -2.611 -8.839 3.146 1.00 62.02 H new ATOM 0 HA THR A 98 -2.267 -9.196 0.273 1.00 51.20 H new ATOM 0 HB THR A 98 -4.887 -8.252 1.510 1.00 4.21 H new ATOM 0 HG1 THR A 98 -5.082 -10.425 1.617 1.00 72.34 H new ATOM 0 HG21 THR A 98 -5.727 -8.249 -0.814 1.00 33.43 H new ATOM 0 HG22 THR A 98 -4.370 -7.118 -0.600 1.00 33.43 H new ATOM 0 HG23 THR A 98 -4.103 -8.688 -1.394 1.00 33.43 H new ATOM 1510 N ILE A 99 -1.915 -6.733 0.004 1.00 32.14 N ATOM 1511 CA ILE A 99 -1.552 -5.329 -0.157 1.00 21.20 C ATOM 1512 C ILE A 99 -2.455 -4.689 -1.216 1.00 15.30 C ATOM 1513 O ILE A 99 -2.489 -5.141 -2.363 1.00 12.13 O ATOM 1514 CB ILE A 99 -0.065 -5.158 -0.597 1.00 61.04 C ATOM 1515 CG1 ILE A 99 0.909 -5.545 0.535 1.00 2.42 C ATOM 1516 CG2 ILE A 99 0.208 -3.721 -1.055 1.00 74.53 C ATOM 1517 CD1 ILE A 99 0.973 -7.027 0.842 1.00 70.11 C ATOM 0 H ILE A 99 -1.753 -7.295 -0.831 1.00 32.14 H new ATOM 0 HA ILE A 99 -1.681 -4.842 0.810 1.00 21.20 H new ATOM 0 HB ILE A 99 0.103 -5.833 -1.436 1.00 61.04 H new ATOM 0 HG12 ILE A 99 1.908 -5.200 0.269 1.00 2.42 H new ATOM 0 HG13 ILE A 99 0.620 -5.013 1.441 1.00 2.42 H new ATOM 0 HG21 ILE A 99 1.251 -3.627 -1.357 1.00 74.53 H new ATOM 0 HG22 ILE A 99 -0.437 -3.480 -1.900 1.00 74.53 H new ATOM 0 HG23 ILE A 99 0.004 -3.033 -0.235 1.00 74.53 H new ATOM 0 HD11 ILE A 99 1.683 -7.201 1.650 1.00 70.11 H new ATOM 0 HD12 ILE A 99 -0.013 -7.379 1.144 1.00 70.11 H new ATOM 0 HD13 ILE A 99 1.295 -7.569 -0.047 1.00 70.11 H new ATOM 1529 N LEU A 100 -3.195 -3.654 -0.833 1.00 13.25 N ATOM 1530 CA LEU A 100 -4.071 -2.936 -1.764 1.00 51.10 C ATOM 1531 C LEU A 100 -3.365 -1.683 -2.281 1.00 34.50 C ATOM 1532 O LEU A 100 -2.746 -0.956 -1.508 1.00 51.21 O ATOM 1533 CB LEU A 100 -5.400 -2.549 -1.083 1.00 72.43 C ATOM 1534 CG LEU A 100 -6.427 -3.687 -0.905 1.00 63.31 C ATOM 1535 CD1 LEU A 100 -5.870 -4.814 -0.041 1.00 71.20 C ATOM 1536 CD2 LEU A 100 -7.728 -3.146 -0.313 1.00 33.02 C ATOM 0 H LEU A 100 -3.208 -3.289 0.119 1.00 13.25 H new ATOM 0 HA LEU A 100 -4.296 -3.596 -2.602 1.00 51.10 H new ATOM 0 HB2 LEU A 100 -5.174 -2.134 -0.101 1.00 72.43 H new ATOM 0 HB3 LEU A 100 -5.866 -1.754 -1.666 1.00 72.43 H new ATOM 0 HG LEU A 100 -6.638 -4.102 -1.891 1.00 63.31 H new ATOM 0 HD11 LEU A 100 -6.620 -5.598 0.063 1.00 71.20 H new ATOM 0 HD12 LEU A 100 -4.977 -5.226 -0.512 1.00 71.20 H new ATOM 0 HD13 LEU A 100 -5.614 -4.424 0.944 1.00 71.20 H new ATOM 0 HD21 LEU A 100 -8.441 -3.962 -0.194 1.00 33.02 H new ATOM 0 HD22 LEU A 100 -7.526 -2.696 0.659 1.00 33.02 H new ATOM 0 HD23 LEU A 100 -8.146 -2.393 -0.981 1.00 33.02 H new ATOM 1548 N MET A 101 -3.445 -1.441 -3.586 1.00 71.04 N ATOM 1549 CA MET A 101 -2.803 -0.277 -4.193 1.00 73.14 C ATOM 1550 C MET A 101 -3.842 0.814 -4.465 1.00 20.14 C ATOM 1551 O MET A 101 -5.001 0.512 -4.753 1.00 62.41 O ATOM 1552 CB MET A 101 -2.101 -0.683 -5.501 1.00 13.41 C ATOM 1553 CG MET A 101 -1.176 -1.885 -5.356 1.00 41.24 C ATOM 1554 SD MET A 101 -0.065 -2.085 -6.760 1.00 41.41 S ATOM 1555 CE MET A 101 0.920 -0.594 -6.620 1.00 21.31 C ATOM 0 H MET A 101 -3.948 -2.035 -4.245 1.00 71.04 H new ATOM 0 HA MET A 101 -2.056 0.115 -3.502 1.00 73.14 H new ATOM 0 HB2 MET A 101 -2.857 -0.907 -6.254 1.00 13.41 H new ATOM 0 HB3 MET A 101 -1.524 0.165 -5.871 1.00 13.41 H new ATOM 0 HG2 MET A 101 -0.587 -1.777 -4.445 1.00 41.24 H new ATOM 0 HG3 MET A 101 -1.776 -2.788 -5.242 1.00 41.24 H new ATOM 0 HE1 MET A 101 0.810 0.001 -7.526 1.00 21.31 H new ATOM 0 HE2 MET A 101 0.582 -0.014 -5.761 1.00 21.31 H new ATOM 0 HE3 MET A 101 1.968 -0.862 -6.487 1.00 21.31 H new ATOM 1565 N PHE A 102 -3.425 2.075 -4.354 1.00 11.05 N ATOM 1566 CA PHE A 102 -4.282 3.228 -4.659 1.00 71.11 C ATOM 1567 C PHE A 102 -3.423 4.369 -5.204 1.00 35.13 C ATOM 1568 O PHE A 102 -2.212 4.395 -4.975 1.00 2.13 O ATOM 1569 CB PHE A 102 -5.032 3.713 -3.404 1.00 62.15 C ATOM 1570 CG PHE A 102 -5.973 2.697 -2.805 1.00 21.33 C ATOM 1571 CD1 PHE A 102 -7.229 2.483 -3.353 1.00 64.13 C ATOM 1572 CD2 PHE A 102 -5.598 1.958 -1.690 1.00 33.23 C ATOM 1573 CE1 PHE A 102 -8.092 1.554 -2.802 1.00 52.22 C ATOM 1574 CE2 PHE A 102 -6.456 1.029 -1.137 1.00 72.31 C ATOM 1575 CZ PHE A 102 -7.705 0.827 -1.693 1.00 13.31 C ATOM 0 H PHE A 102 -2.485 2.329 -4.051 1.00 11.05 H new ATOM 0 HA PHE A 102 -5.017 2.920 -5.402 1.00 71.11 H new ATOM 0 HB2 PHE A 102 -4.301 4.002 -2.649 1.00 62.15 H new ATOM 0 HB3 PHE A 102 -5.599 4.609 -3.658 1.00 62.15 H new ATOM 0 HD1 PHE A 102 -7.536 3.049 -4.220 1.00 64.13 H new ATOM 0 HD2 PHE A 102 -4.624 2.112 -1.251 1.00 33.23 H new ATOM 0 HE1 PHE A 102 -9.067 1.397 -3.238 1.00 52.22 H new ATOM 0 HE2 PHE A 102 -6.152 0.460 -0.271 1.00 72.31 H new ATOM 0 HZ PHE A 102 -8.378 0.101 -1.261 1.00 13.31 H new ATOM 1585 N LYS A 103 -4.033 5.304 -5.930 1.00 53.43 N ATOM 1586 CA LYS A 103 -3.302 6.499 -6.386 1.00 43.03 C ATOM 1587 C LYS A 103 -4.182 7.746 -6.327 1.00 54.41 C ATOM 1588 O LYS A 103 -5.073 7.915 -7.150 1.00 13.45 O ATOM 1589 CB LYS A 103 -2.764 6.319 -7.820 1.00 34.02 C ATOM 1590 CG LYS A 103 -2.125 7.594 -8.379 1.00 22.35 C ATOM 1591 CD LYS A 103 -1.707 7.466 -9.844 1.00 5.04 C ATOM 1592 CE LYS A 103 -0.423 6.664 -10.024 1.00 71.41 C ATOM 1593 NZ LYS A 103 0.064 6.725 -11.432 1.00 15.13 N ATOM 0 H LYS A 103 -5.012 5.266 -6.214 1.00 53.43 H new ATOM 0 HA LYS A 103 -2.459 6.629 -5.708 1.00 43.03 H new ATOM 0 HB2 LYS A 103 -2.028 5.515 -7.829 1.00 34.02 H new ATOM 0 HB3 LYS A 103 -3.580 6.011 -8.473 1.00 34.02 H new ATOM 0 HG2 LYS A 103 -2.830 8.419 -8.280 1.00 22.35 H new ATOM 0 HG3 LYS A 103 -1.251 7.848 -7.779 1.00 22.35 H new ATOM 0 HD2 LYS A 103 -2.510 6.989 -10.406 1.00 5.04 H new ATOM 0 HD3 LYS A 103 -1.570 8.461 -10.266 1.00 5.04 H new ATOM 0 HE2 LYS A 103 0.346 7.050 -9.355 1.00 71.41 H new ATOM 0 HE3 LYS A 103 -0.598 5.626 -9.743 1.00 71.41 H new ATOM 0 HZ1 LYS A 103 0.965 6.212 -11.510 1.00 15.13 H new ATOM 0 HZ2 LYS A 103 -0.639 6.288 -12.062 1.00 15.13 H new ATOM 0 HZ3 LYS A 103 0.206 7.718 -11.708 1.00 15.13 H new ATOM 1607 N ASN A 104 -3.922 8.622 -5.355 1.00 12.42 N ATOM 1608 CA ASN A 104 -4.662 9.890 -5.229 1.00 64.12 C ATOM 1609 C ASN A 104 -6.155 9.623 -5.013 1.00 32.34 C ATOM 1610 O ASN A 104 -7.011 10.444 -5.349 1.00 43.14 O ATOM 1611 CB ASN A 104 -4.438 10.760 -6.483 1.00 65.45 C ATOM 1612 CG ASN A 104 -4.998 12.173 -6.357 1.00 24.33 C ATOM 1613 OD1 ASN A 104 -5.525 12.728 -7.324 1.00 44.13 O ATOM 1614 ND2 ASN A 104 -4.856 12.781 -5.184 1.00 53.25 N ATOM 0 H ASN A 104 -3.206 8.482 -4.642 1.00 12.42 H new ATOM 0 HA ASN A 104 -4.287 10.430 -4.360 1.00 64.12 H new ATOM 0 HB2 ASN A 104 -3.369 10.819 -6.687 1.00 65.45 H new ATOM 0 HB3 ASN A 104 -4.900 10.271 -7.341 1.00 65.45 H new ATOM 0 HD21 ASN A 104 -5.188 13.738 -5.062 1.00 53.25 H new ATOM 0 HD22 ASN A 104 -4.415 12.291 -4.406 1.00 53.25 H new ATOM 1621 N GLY A 105 -6.456 8.473 -4.426 1.00 32.54 N ATOM 1622 CA GLY A 105 -7.838 8.065 -4.228 1.00 3.33 C ATOM 1623 C GLY A 105 -8.362 7.225 -5.379 1.00 44.22 C ATOM 1624 O GLY A 105 -9.445 6.646 -5.292 1.00 23.15 O ATOM 0 H GLY A 105 -5.764 7.809 -4.080 1.00 32.54 H new ATOM 0 HA2 GLY A 105 -7.917 7.497 -3.301 1.00 3.33 H new ATOM 0 HA3 GLY A 105 -8.463 8.951 -4.114 1.00 3.33 H new ATOM 1628 N LYS A 106 -7.590 7.162 -6.462 1.00 71.31 N ATOM 1629 CA LYS A 106 -7.947 6.358 -7.626 1.00 50.52 C ATOM 1630 C LYS A 106 -7.828 4.882 -7.282 1.00 62.22 C ATOM 1631 O LYS A 106 -6.810 4.460 -6.703 1.00 51.31 O ATOM 1632 CB LYS A 106 -7.018 6.677 -8.809 1.00 64.42 C ATOM 1633 CG LYS A 106 -7.432 6.039 -10.134 1.00 11.25 C ATOM 1634 CD LYS A 106 -6.345 6.205 -11.196 1.00 72.40 C ATOM 1635 CE LYS A 106 -6.832 5.793 -12.581 1.00 75.23 C ATOM 1636 NZ LYS A 106 -7.889 6.708 -13.087 1.00 53.35 N ATOM 0 H LYS A 106 -6.707 7.663 -6.556 1.00 71.31 H new ATOM 0 HA LYS A 106 -8.973 6.593 -7.908 1.00 50.52 H new ATOM 0 HB2 LYS A 106 -6.976 7.758 -8.939 1.00 64.42 H new ATOM 0 HB3 LYS A 106 -6.009 6.346 -8.561 1.00 64.42 H new ATOM 0 HG2 LYS A 106 -7.635 4.979 -9.982 1.00 11.25 H new ATOM 0 HG3 LYS A 106 -8.358 6.494 -10.485 1.00 11.25 H new ATOM 0 HD2 LYS A 106 -6.018 7.245 -11.221 1.00 72.40 H new ATOM 0 HD3 LYS A 106 -5.477 5.605 -10.923 1.00 72.40 H new ATOM 0 HE2 LYS A 106 -5.992 5.788 -13.276 1.00 75.23 H new ATOM 0 HE3 LYS A 106 -7.220 4.775 -12.542 1.00 75.23 H new ATOM 0 HZ1 LYS A 106 -8.004 6.573 -14.112 1.00 53.35 H new ATOM 0 HZ2 LYS A 106 -8.788 6.499 -12.607 1.00 53.35 H new ATOM 0 HZ3 LYS A 106 -7.616 7.693 -12.896 1.00 53.35 H new ATOM 1650 N LYS A 107 -8.866 4.114 -7.630 1.00 64.31 N ATOM 1651 CA LYS A 107 -8.860 2.670 -7.446 1.00 2.12 C ATOM 1652 C LYS A 107 -7.739 2.058 -8.283 1.00 11.31 C ATOM 1653 O LYS A 107 -7.470 2.500 -9.406 1.00 23.11 O ATOM 1654 CB LYS A 107 -10.224 2.058 -7.815 1.00 20.41 C ATOM 1655 CG LYS A 107 -10.340 0.557 -7.525 1.00 54.12 C ATOM 1656 CD LYS A 107 -10.111 0.226 -6.046 1.00 21.23 C ATOM 1657 CE LYS A 107 -11.190 0.818 -5.139 1.00 34.14 C ATOM 1658 NZ LYS A 107 -12.524 0.202 -5.374 1.00 63.24 N ATOM 0 H LYS A 107 -9.725 4.478 -8.043 1.00 64.31 H new ATOM 0 HA LYS A 107 -8.681 2.447 -6.394 1.00 2.12 H new ATOM 0 HB2 LYS A 107 -11.006 2.584 -7.267 1.00 20.41 H new ATOM 0 HB3 LYS A 107 -10.410 2.227 -8.876 1.00 20.41 H new ATOM 0 HG2 LYS A 107 -11.329 0.208 -7.823 1.00 54.12 H new ATOM 0 HG3 LYS A 107 -9.614 0.016 -8.132 1.00 54.12 H new ATOM 0 HD2 LYS A 107 -10.088 -0.856 -5.919 1.00 21.23 H new ATOM 0 HD3 LYS A 107 -9.136 0.604 -5.739 1.00 21.23 H new ATOM 0 HE2 LYS A 107 -10.904 0.675 -4.097 1.00 34.14 H new ATOM 0 HE3 LYS A 107 -11.254 1.893 -5.307 1.00 34.14 H new ATOM 0 HZ1 LYS A 107 -13.196 0.547 -4.660 1.00 63.24 H new ATOM 0 HZ2 LYS A 107 -12.863 0.460 -6.322 1.00 63.24 H new ATOM 0 HZ3 LYS A 107 -12.446 -0.833 -5.304 1.00 63.24 H new ATOM 1672 N LEU A 108 -7.115 1.034 -7.739 1.00 13.43 N ATOM 1673 CA LEU A 108 -5.835 0.551 -8.219 1.00 75.42 C ATOM 1674 C LEU A 108 -5.677 -0.913 -7.830 1.00 61.11 C ATOM 1675 O LEU A 108 -6.479 -1.440 -7.055 1.00 61.34 O ATOM 1676 CB LEU A 108 -4.694 1.422 -7.679 1.00 53.35 C ATOM 1677 CG LEU A 108 -3.368 1.340 -8.454 1.00 33.45 C ATOM 1678 CD1 LEU A 108 -3.589 1.644 -9.933 1.00 61.00 C ATOM 1679 CD2 LEU A 108 -2.345 2.297 -7.858 1.00 23.21 C ATOM 0 H LEU A 108 -7.483 0.509 -6.946 1.00 13.43 H new ATOM 0 HA LEU A 108 -5.794 0.621 -9.306 1.00 75.42 H new ATOM 0 HB2 LEU A 108 -5.026 2.460 -7.672 1.00 53.35 H new ATOM 0 HB3 LEU A 108 -4.506 1.141 -6.643 1.00 53.35 H new ATOM 0 HG LEU A 108 -2.982 0.324 -8.369 1.00 33.45 H new ATOM 0 HD11 LEU A 108 -2.639 1.581 -10.463 1.00 61.00 H new ATOM 0 HD12 LEU A 108 -4.288 0.920 -10.353 1.00 61.00 H new ATOM 0 HD13 LEU A 108 -3.999 2.648 -10.041 1.00 61.00 H new ATOM 0 HD21 LEU A 108 -1.412 2.227 -8.417 1.00 23.21 H new ATOM 0 HD22 LEU A 108 -2.726 3.317 -7.913 1.00 23.21 H new ATOM 0 HD23 LEU A 108 -2.164 2.033 -6.816 1.00 23.21 H new ATOM 1691 N SER A 109 -4.676 -1.569 -8.396 1.00 44.12 N ATOM 1692 CA SER A 109 -4.560 -3.019 -8.364 1.00 34.43 C ATOM 1693 C SER A 109 -4.236 -3.551 -6.962 1.00 31.44 C ATOM 1694 O SER A 109 -3.994 -2.789 -6.027 1.00 71.11 O ATOM 1695 CB SER A 109 -3.429 -3.406 -9.321 1.00 3.31 C ATOM 1696 OG SER A 109 -3.882 -3.457 -10.665 1.00 63.11 O ATOM 0 H SER A 109 -3.915 -1.107 -8.894 1.00 44.12 H new ATOM 0 HA SER A 109 -5.515 -3.455 -8.657 1.00 34.43 H new ATOM 0 HB2 SER A 109 -2.616 -2.685 -9.237 1.00 3.31 H new ATOM 0 HB3 SER A 109 -3.024 -4.377 -9.035 1.00 3.31 H new ATOM 0 HG SER A 109 -3.137 -3.705 -11.252 1.00 63.11 H new ATOM 1702 N GLN A 110 -4.280 -4.872 -6.822 1.00 73.15 N ATOM 1703 CA GLN A 110 -4.116 -5.520 -5.528 1.00 74.04 C ATOM 1704 C GLN A 110 -3.094 -6.650 -5.622 1.00 23.01 C ATOM 1705 O GLN A 110 -3.124 -7.455 -6.558 1.00 44.54 O ATOM 1706 CB GLN A 110 -5.471 -6.066 -5.053 1.00 54.54 C ATOM 1707 CG GLN A 110 -5.444 -6.668 -3.656 1.00 62.23 C ATOM 1708 CD GLN A 110 -6.795 -7.229 -3.237 1.00 43.25 C ATOM 1709 OE1 GLN A 110 -7.627 -6.518 -2.676 1.00 34.12 O ATOM 1710 NE2 GLN A 110 -7.024 -8.508 -3.502 1.00 42.13 N ATOM 0 H GLN A 110 -4.429 -5.518 -7.597 1.00 73.15 H new ATOM 0 HA GLN A 110 -3.750 -4.788 -4.808 1.00 74.04 H new ATOM 0 HB2 GLN A 110 -6.203 -5.259 -5.075 1.00 54.54 H new ATOM 0 HB3 GLN A 110 -5.812 -6.825 -5.757 1.00 54.54 H new ATOM 0 HG2 GLN A 110 -4.698 -7.462 -3.620 1.00 62.23 H new ATOM 0 HG3 GLN A 110 -5.133 -5.906 -2.941 1.00 62.23 H new ATOM 0 HE21 GLN A 110 -6.311 -9.068 -3.969 1.00 42.13 H new ATOM 0 HE22 GLN A 110 -7.914 -8.932 -3.239 1.00 42.13 H new ATOM 1719 N VAL A 111 -2.184 -6.691 -4.656 1.00 14.41 N ATOM 1720 CA VAL A 111 -1.182 -7.747 -4.566 1.00 45.33 C ATOM 1721 C VAL A 111 -1.569 -8.732 -3.466 1.00 11.45 C ATOM 1722 O VAL A 111 -1.710 -8.353 -2.303 1.00 74.34 O ATOM 1723 CB VAL A 111 0.226 -7.171 -4.268 1.00 62.41 C ATOM 1724 CG1 VAL A 111 1.278 -8.281 -4.262 1.00 3.22 C ATOM 1725 CG2 VAL A 111 0.585 -6.076 -5.276 1.00 13.24 C ATOM 0 H VAL A 111 -2.120 -5.994 -3.914 1.00 14.41 H new ATOM 0 HA VAL A 111 -1.146 -8.256 -5.529 1.00 45.33 H new ATOM 0 HB VAL A 111 0.209 -6.723 -3.275 1.00 62.41 H new ATOM 0 HG11 VAL A 111 2.258 -7.853 -4.051 1.00 3.22 H new ATOM 0 HG12 VAL A 111 1.029 -9.014 -3.494 1.00 3.22 H new ATOM 0 HG13 VAL A 111 1.298 -8.769 -5.237 1.00 3.22 H new ATOM 0 HG21 VAL A 111 1.577 -5.684 -5.050 1.00 13.24 H new ATOM 0 HG22 VAL A 111 0.580 -6.493 -6.283 1.00 13.24 H new ATOM 0 HG23 VAL A 111 -0.146 -5.270 -5.214 1.00 13.24 H new ATOM 1735 N ILE A 112 -1.750 -9.990 -3.841 1.00 1.34 N ATOM 1736 CA ILE A 112 -2.154 -11.027 -2.898 1.00 23.02 C ATOM 1737 C ILE A 112 -0.925 -11.804 -2.431 1.00 41.12 C ATOM 1738 O ILE A 112 -0.165 -12.325 -3.251 1.00 50.23 O ATOM 1739 CB ILE A 112 -3.187 -12.014 -3.517 1.00 50.43 C ATOM 1740 CG1 ILE A 112 -4.492 -11.288 -3.910 1.00 61.32 C ATOM 1741 CG2 ILE A 112 -3.487 -13.159 -2.545 1.00 72.24 C ATOM 1742 CD1 ILE A 112 -4.369 -10.387 -5.123 1.00 21.20 C ATOM 0 H ILE A 112 -1.623 -10.320 -4.798 1.00 1.34 H new ATOM 0 HA ILE A 112 -2.633 -10.533 -2.053 1.00 23.02 H new ATOM 0 HB ILE A 112 -2.747 -12.430 -4.424 1.00 50.43 H new ATOM 0 HG12 ILE A 112 -5.263 -12.033 -4.103 1.00 61.32 H new ATOM 0 HG13 ILE A 112 -4.830 -10.691 -3.063 1.00 61.32 H new ATOM 0 HG21 ILE A 112 -4.211 -13.838 -2.995 1.00 72.24 H new ATOM 0 HG22 ILE A 112 -2.567 -13.702 -2.327 1.00 72.24 H new ATOM 0 HG23 ILE A 112 -3.897 -12.753 -1.620 1.00 72.24 H new ATOM 0 HD11 ILE A 112 -5.332 -9.918 -5.327 1.00 21.20 H new ATOM 0 HD12 ILE A 112 -3.623 -9.616 -4.929 1.00 21.20 H new ATOM 0 HD13 ILE A 112 -4.063 -10.978 -5.986 1.00 21.20 H new ATOM 1754 N GLY A 113 -0.734 -11.869 -1.118 1.00 25.34 N ATOM 1755 CA GLY A 113 0.412 -12.561 -0.556 1.00 31.30 C ATOM 1756 C GLY A 113 1.693 -11.757 -0.688 1.00 44.34 C ATOM 1757 O GLY A 113 1.669 -10.604 -1.129 1.00 1.41 O ATOM 0 H GLY A 113 -1.358 -11.451 -0.428 1.00 25.34 H new ATOM 0 HA2 GLY A 113 0.225 -12.772 0.497 1.00 31.30 H new ATOM 0 HA3 GLY A 113 0.535 -13.521 -1.057 1.00 31.30 H new ATOM 1761 N ALA A 114 2.814 -12.359 -0.308 1.00 3.53 N ATOM 1762 CA ALA A 114 4.101 -11.683 -0.363 1.00 12.25 C ATOM 1763 C ALA A 114 4.736 -11.856 -1.742 1.00 61.41 C ATOM 1764 O ALA A 114 5.494 -12.802 -1.972 1.00 12.31 O ATOM 1765 CB ALA A 114 5.025 -12.212 0.734 1.00 35.21 C ATOM 0 H ALA A 114 2.856 -13.316 0.042 1.00 3.53 H new ATOM 0 HA ALA A 114 3.945 -10.618 -0.193 1.00 12.25 H new ATOM 0 HB1 ALA A 114 5.984 -11.697 0.681 1.00 35.21 H new ATOM 0 HB2 ALA A 114 4.571 -12.034 1.709 1.00 35.21 H new ATOM 0 HB3 ALA A 114 5.179 -13.282 0.595 1.00 35.21 H new ATOM 1771 N ASP A 115 4.384 -10.969 -2.669 1.00 21.24 N ATOM 1772 CA ASP A 115 4.987 -10.964 -4.003 1.00 23.34 C ATOM 1773 C ASP A 115 5.597 -9.594 -4.289 1.00 62.34 C ATOM 1774 O ASP A 115 4.951 -8.701 -4.854 1.00 2.03 O ATOM 1775 CB ASP A 115 3.954 -11.338 -5.084 1.00 13.25 C ATOM 1776 CG ASP A 115 4.562 -11.519 -6.477 1.00 12.24 C ATOM 1777 OD1 ASP A 115 5.778 -11.289 -6.657 1.00 63.13 O ATOM 1778 OD2 ASP A 115 3.815 -11.892 -7.406 1.00 75.03 O ATOM 0 H ASP A 115 3.683 -10.242 -2.523 1.00 21.24 H new ATOM 0 HA ASP A 115 5.775 -11.716 -4.029 1.00 23.34 H new ATOM 0 HB2 ASP A 115 3.454 -12.261 -4.792 1.00 13.25 H new ATOM 0 HB3 ASP A 115 3.190 -10.562 -5.128 1.00 13.25 H new ATOM 1783 N ILE A 116 6.851 -9.437 -3.885 1.00 22.53 N ATOM 1784 CA ILE A 116 7.558 -8.172 -4.018 1.00 3.13 C ATOM 1785 C ILE A 116 7.751 -7.846 -5.505 1.00 50.21 C ATOM 1786 O ILE A 116 7.776 -6.682 -5.898 1.00 71.13 O ATOM 1787 CB ILE A 116 8.925 -8.225 -3.266 1.00 74.23 C ATOM 1788 CG1 ILE A 116 9.334 -6.841 -2.711 1.00 40.43 C ATOM 1789 CG2 ILE A 116 10.026 -8.800 -4.155 1.00 3.24 C ATOM 1790 CD1 ILE A 116 9.694 -5.806 -3.757 1.00 72.44 C ATOM 0 H ILE A 116 7.404 -10.180 -3.458 1.00 22.53 H new ATOM 0 HA ILE A 116 6.966 -7.378 -3.563 1.00 3.13 H new ATOM 0 HB ILE A 116 8.793 -8.893 -2.415 1.00 74.23 H new ATOM 0 HG12 ILE A 116 8.514 -6.453 -2.107 1.00 40.43 H new ATOM 0 HG13 ILE A 116 10.187 -6.972 -2.045 1.00 40.43 H new ATOM 0 HG21 ILE A 116 10.965 -8.823 -3.602 1.00 3.24 H new ATOM 0 HG22 ILE A 116 9.758 -9.812 -4.458 1.00 3.24 H new ATOM 0 HG23 ILE A 116 10.142 -8.175 -5.041 1.00 3.24 H new ATOM 0 HD11 ILE A 116 9.966 -4.872 -3.266 1.00 72.44 H new ATOM 0 HD12 ILE A 116 10.537 -6.164 -4.348 1.00 72.44 H new ATOM 0 HD13 ILE A 116 8.838 -5.637 -4.411 1.00 72.44 H new ATOM 1802 N SER A 117 7.846 -8.893 -6.323 1.00 2.40 N ATOM 1803 CA SER A 117 7.995 -8.736 -7.766 1.00 71.20 C ATOM 1804 C SER A 117 6.771 -8.017 -8.336 1.00 71.55 C ATOM 1805 O SER A 117 6.898 -7.040 -9.078 1.00 21.12 O ATOM 1806 CB SER A 117 8.181 -10.109 -8.429 1.00 62.21 C ATOM 1807 OG SER A 117 8.375 -9.996 -9.827 1.00 33.34 O ATOM 0 H SER A 117 7.822 -9.863 -6.008 1.00 2.40 H new ATOM 0 HA SER A 117 8.879 -8.134 -7.975 1.00 71.20 H new ATOM 0 HB2 SER A 117 9.037 -10.615 -7.983 1.00 62.21 H new ATOM 0 HB3 SER A 117 7.306 -10.729 -8.232 1.00 62.21 H new ATOM 0 HG SER A 117 8.491 -10.889 -10.214 1.00 33.34 H new ATOM 1813 N LYS A 118 5.583 -8.491 -7.959 1.00 52.01 N ATOM 1814 CA LYS A 118 4.333 -7.859 -8.379 1.00 41.42 C ATOM 1815 C LYS A 118 4.248 -6.440 -7.823 1.00 70.23 C ATOM 1816 O LYS A 118 3.866 -5.509 -8.535 1.00 73.31 O ATOM 1817 CB LYS A 118 3.126 -8.688 -7.911 1.00 51.40 C ATOM 1818 CG LYS A 118 1.765 -8.057 -8.208 1.00 3.35 C ATOM 1819 CD LYS A 118 1.531 -7.844 -9.703 1.00 61.34 C ATOM 1820 CE LYS A 118 0.149 -7.251 -9.976 1.00 44.21 C ATOM 1821 NZ LYS A 118 -0.060 -6.963 -11.419 1.00 64.03 N ATOM 0 H LYS A 118 5.461 -9.310 -7.364 1.00 52.01 H new ATOM 0 HA LYS A 118 4.317 -7.811 -9.468 1.00 41.42 H new ATOM 0 HB2 LYS A 118 3.169 -9.668 -8.387 1.00 51.40 H new ATOM 0 HB3 LYS A 118 3.209 -8.851 -6.837 1.00 51.40 H new ATOM 0 HG2 LYS A 118 0.977 -8.695 -7.808 1.00 3.35 H new ATOM 0 HG3 LYS A 118 1.692 -7.099 -7.692 1.00 3.35 H new ATOM 0 HD2 LYS A 118 2.298 -7.180 -10.101 1.00 61.34 H new ATOM 0 HD3 LYS A 118 1.630 -8.795 -10.227 1.00 61.34 H new ATOM 0 HE2 LYS A 118 -0.617 -7.945 -9.630 1.00 44.21 H new ATOM 0 HE3 LYS A 118 0.029 -6.332 -9.402 1.00 44.21 H new ATOM 0 HZ1 LYS A 118 -1.016 -6.578 -11.561 1.00 64.03 H new ATOM 0 HZ2 LYS A 118 0.644 -6.268 -11.740 1.00 64.03 H new ATOM 0 HZ3 LYS A 118 0.045 -7.841 -11.967 1.00 64.03 H new ATOM 1835 N ILE A 119 4.619 -6.282 -6.553 1.00 53.35 N ATOM 1836 CA ILE A 119 4.590 -4.971 -5.901 1.00 14.03 C ATOM 1837 C ILE A 119 5.434 -3.948 -6.670 1.00 51.23 C ATOM 1838 O ILE A 119 4.925 -2.907 -7.092 1.00 20.23 O ATOM 1839 CB ILE A 119 5.088 -5.056 -4.433 1.00 4.54 C ATOM 1840 CG1 ILE A 119 4.163 -5.966 -3.610 1.00 24.51 C ATOM 1841 CG2 ILE A 119 5.179 -3.665 -3.803 1.00 5.22 C ATOM 1842 CD1 ILE A 119 4.618 -6.183 -2.182 1.00 24.53 C ATOM 0 H ILE A 119 4.943 -7.043 -5.955 1.00 53.35 H new ATOM 0 HA ILE A 119 3.551 -4.641 -5.900 1.00 14.03 H new ATOM 0 HB ILE A 119 6.089 -5.487 -4.435 1.00 4.54 H new ATOM 0 HG12 ILE A 119 3.162 -5.534 -3.599 1.00 24.51 H new ATOM 0 HG13 ILE A 119 4.087 -6.933 -4.107 1.00 24.51 H new ATOM 0 HG21 ILE A 119 5.530 -3.753 -2.775 1.00 5.22 H new ATOM 0 HG22 ILE A 119 5.877 -3.052 -4.373 1.00 5.22 H new ATOM 0 HG23 ILE A 119 4.195 -3.197 -3.811 1.00 5.22 H new ATOM 0 HD11 ILE A 119 3.911 -6.836 -1.670 1.00 24.53 H new ATOM 0 HD12 ILE A 119 5.605 -6.645 -2.181 1.00 24.53 H new ATOM 0 HD13 ILE A 119 4.666 -5.224 -1.666 1.00 24.53 H new ATOM 1854 N ILE A 120 6.714 -4.257 -6.876 1.00 41.22 N ATOM 1855 CA ILE A 120 7.623 -3.328 -7.550 1.00 64.53 C ATOM 1856 C ILE A 120 7.211 -3.141 -9.007 1.00 3.31 C ATOM 1857 O ILE A 120 7.343 -2.047 -9.563 1.00 41.24 O ATOM 1858 CB ILE A 120 9.107 -3.789 -7.473 1.00 40.15 C ATOM 1859 CG1 ILE A 120 10.041 -2.697 -8.029 1.00 75.52 C ATOM 1860 CG2 ILE A 120 9.315 -5.107 -8.220 1.00 42.11 C ATOM 1861 CD1 ILE A 120 11.516 -3.038 -7.922 1.00 12.53 C ATOM 0 H ILE A 120 7.143 -5.136 -6.589 1.00 41.22 H new ATOM 0 HA ILE A 120 7.549 -2.375 -7.025 1.00 64.53 H new ATOM 0 HB ILE A 120 9.354 -3.956 -6.425 1.00 40.15 H new ATOM 0 HG12 ILE A 120 9.794 -2.519 -9.076 1.00 75.52 H new ATOM 0 HG13 ILE A 120 9.854 -1.766 -7.495 1.00 75.52 H new ATOM 0 HG21 ILE A 120 10.361 -5.404 -8.149 1.00 42.11 H new ATOM 0 HG22 ILE A 120 8.687 -5.880 -7.776 1.00 42.11 H new ATOM 0 HG23 ILE A 120 9.045 -4.978 -9.268 1.00 42.11 H new ATOM 0 HD11 ILE A 120 12.109 -2.221 -8.334 1.00 12.53 H new ATOM 0 HD12 ILE A 120 11.780 -3.186 -6.875 1.00 12.53 H new ATOM 0 HD13 ILE A 120 11.720 -3.952 -8.480 1.00 12.53 H new ATOM 1873 N SER A 121 6.690 -4.209 -9.611 1.00 61.32 N ATOM 1874 CA SER A 121 6.205 -4.160 -10.984 1.00 5.02 C ATOM 1875 C SER A 121 5.145 -3.071 -11.121 1.00 51.20 C ATOM 1876 O SER A 121 5.250 -2.200 -11.985 1.00 65.45 O ATOM 1877 CB SER A 121 5.632 -5.524 -11.397 1.00 73.21 C ATOM 1878 OG SER A 121 5.282 -5.550 -12.773 1.00 22.45 O ATOM 0 H SER A 121 6.594 -5.122 -9.166 1.00 61.32 H new ATOM 0 HA SER A 121 7.038 -3.924 -11.646 1.00 5.02 H new ATOM 0 HB2 SER A 121 6.365 -6.304 -11.193 1.00 73.21 H new ATOM 0 HB3 SER A 121 4.753 -5.748 -10.793 1.00 73.21 H new ATOM 0 HG SER A 121 4.923 -6.432 -13.003 1.00 22.45 H new ATOM 1884 N GLU A 122 4.145 -3.109 -10.238 1.00 34.03 N ATOM 1885 CA GLU A 122 3.071 -2.122 -10.258 1.00 23.05 C ATOM 1886 C GLU A 122 3.607 -0.734 -9.922 1.00 53.14 C ATOM 1887 O GLU A 122 3.199 0.256 -10.530 1.00 72.51 O ATOM 1888 CB GLU A 122 1.953 -2.503 -9.279 1.00 72.20 C ATOM 1889 CG GLU A 122 1.233 -3.803 -9.618 1.00 55.40 C ATOM 1890 CD GLU A 122 0.716 -3.833 -11.045 1.00 5.43 C ATOM 1891 OE1 GLU A 122 -0.249 -3.104 -11.350 1.00 20.01 O ATOM 1892 OE2 GLU A 122 1.267 -4.600 -11.865 1.00 72.03 O ATOM 0 H GLU A 122 4.059 -3.811 -9.503 1.00 34.03 H new ATOM 0 HA GLU A 122 2.656 -2.105 -11.266 1.00 23.05 H new ATOM 0 HB2 GLU A 122 2.377 -2.587 -8.278 1.00 72.20 H new ATOM 0 HB3 GLU A 122 1.222 -1.695 -9.249 1.00 72.20 H new ATOM 0 HG2 GLU A 122 1.913 -4.641 -9.465 1.00 55.40 H new ATOM 0 HG3 GLU A 122 0.398 -3.941 -8.931 1.00 55.40 H new ATOM 1899 N ILE A 123 4.521 -0.661 -8.957 1.00 52.31 N ATOM 1900 CA ILE A 123 5.120 0.615 -8.568 1.00 30.51 C ATOM 1901 C ILE A 123 5.731 1.312 -9.787 1.00 2.22 C ATOM 1902 O ILE A 123 5.351 2.432 -10.125 1.00 42.13 O ATOM 1903 CB ILE A 123 6.203 0.427 -7.470 1.00 4.52 C ATOM 1904 CG1 ILE A 123 5.558 -0.034 -6.150 1.00 52.31 C ATOM 1905 CG2 ILE A 123 6.999 1.717 -7.259 1.00 33.31 C ATOM 1906 CD1 ILE A 123 6.550 -0.264 -5.026 1.00 70.30 C ATOM 0 H ILE A 123 4.862 -1.466 -8.432 1.00 52.31 H new ATOM 0 HA ILE A 123 4.326 1.238 -8.157 1.00 30.51 H new ATOM 0 HB ILE A 123 6.895 -0.345 -7.805 1.00 4.52 H new ATOM 0 HG12 ILE A 123 4.831 0.714 -5.832 1.00 52.31 H new ATOM 0 HG13 ILE A 123 5.007 -0.957 -6.330 1.00 52.31 H new ATOM 0 HG21 ILE A 123 7.750 1.558 -6.485 1.00 33.31 H new ATOM 0 HG22 ILE A 123 7.491 1.998 -8.190 1.00 33.31 H new ATOM 0 HG23 ILE A 123 6.324 2.515 -6.951 1.00 33.31 H new ATOM 0 HD11 ILE A 123 6.018 -0.587 -4.131 1.00 70.30 H new ATOM 0 HD12 ILE A 123 7.263 -1.034 -5.322 1.00 70.30 H new ATOM 0 HD13 ILE A 123 7.084 0.663 -4.816 1.00 70.30 H new ATOM 1918 N ASN A 124 6.632 0.622 -10.477 1.00 31.10 N ATOM 1919 CA ASN A 124 7.289 1.181 -11.660 1.00 23.52 C ATOM 1920 C ASN A 124 6.270 1.427 -12.764 1.00 41.31 C ATOM 1921 O ASN A 124 6.353 2.425 -13.481 1.00 73.44 O ATOM 1922 CB ASN A 124 8.395 0.238 -12.161 1.00 1.12 C ATOM 1923 CG ASN A 124 9.507 0.027 -11.142 1.00 13.11 C ATOM 1924 OD1 ASN A 124 9.822 0.914 -10.349 1.00 44.15 O ATOM 1925 ND2 ASN A 124 10.107 -1.154 -11.151 1.00 45.21 N ATOM 0 H ASN A 124 6.926 -0.325 -10.240 1.00 31.10 H new ATOM 0 HA ASN A 124 7.744 2.132 -11.383 1.00 23.52 H new ATOM 0 HB2 ASN A 124 7.955 -0.726 -12.414 1.00 1.12 H new ATOM 0 HB3 ASN A 124 8.823 0.644 -13.078 1.00 1.12 H new ATOM 0 HD21 ASN A 124 10.855 -1.351 -10.487 1.00 45.21 H new ATOM 0 HD22 ASN A 124 9.820 -1.866 -11.822 1.00 45.21 H new ATOM 1932 N ASN A 125 5.298 0.527 -12.872 1.00 12.21 N ATOM 1933 CA ASN A 125 4.250 0.626 -13.890 1.00 23.30 C ATOM 1934 C ASN A 125 3.342 1.831 -13.636 1.00 32.04 C ATOM 1935 O ASN A 125 2.743 2.371 -14.566 1.00 25.53 O ATOM 1936 CB ASN A 125 3.425 -0.671 -13.925 1.00 33.33 C ATOM 1937 CG ASN A 125 2.247 -0.609 -14.887 1.00 14.21 C ATOM 1938 OD1 ASN A 125 2.388 -0.879 -16.079 1.00 43.53 O ATOM 1939 ND2 ASN A 125 1.070 -0.276 -14.373 1.00 23.13 N ATOM 0 H ASN A 125 5.212 -0.287 -12.263 1.00 12.21 H new ATOM 0 HA ASN A 125 4.729 0.769 -14.859 1.00 23.30 H new ATOM 0 HB2 ASN A 125 4.074 -1.499 -14.209 1.00 33.33 H new ATOM 0 HB3 ASN A 125 3.055 -0.886 -12.922 1.00 33.33 H new ATOM 0 HD21 ASN A 125 0.245 -0.238 -14.971 1.00 23.13 H new ATOM 0 HD22 ASN A 125 0.990 -0.058 -13.380 1.00 23.13 H new ATOM 1946 N ASN A 126 3.241 2.251 -12.376 1.00 13.31 N ATOM 1947 CA ASN A 126 2.389 3.385 -12.004 1.00 12.21 C ATOM 1948 C ASN A 126 3.201 4.667 -11.804 1.00 43.33 C ATOM 1949 O ASN A 126 2.627 5.753 -11.711 1.00 3.44 O ATOM 1950 CB ASN A 126 1.576 3.071 -10.739 1.00 70.14 C ATOM 1951 CG ASN A 126 0.354 2.206 -11.017 1.00 60.33 C ATOM 1952 OD1 ASN A 126 -0.724 2.718 -11.317 1.00 33.12 O ATOM 1953 ND2 ASN A 126 0.503 0.894 -10.905 1.00 33.01 N ATOM 0 H ASN A 126 3.738 1.825 -11.594 1.00 13.31 H new ATOM 0 HA ASN A 126 1.700 3.551 -12.832 1.00 12.21 H new ATOM 0 HB2 ASN A 126 2.217 2.564 -10.018 1.00 70.14 H new ATOM 0 HB3 ASN A 126 1.256 4.005 -10.278 1.00 70.14 H new ATOM 0 HD21 ASN A 126 -0.291 0.275 -11.069 1.00 33.01 H new ATOM 0 HD22 ASN A 126 1.411 0.503 -10.655 1.00 33.01 H new ATOM 1960 N ILE A 127 4.523 4.538 -11.707 1.00 70.53 N ATOM 1961 CA ILE A 127 5.399 5.710 -11.647 1.00 4.32 C ATOM 1962 C ILE A 127 5.740 6.191 -13.053 1.00 61.24 C ATOM 1963 O ILE A 127 5.532 7.361 -13.387 1.00 61.31 O ATOM 1964 CB ILE A 127 6.716 5.424 -10.869 1.00 32.11 C ATOM 1965 CG1 ILE A 127 6.426 5.200 -9.377 1.00 13.12 C ATOM 1966 CG2 ILE A 127 7.716 6.573 -11.053 1.00 51.14 C ATOM 1967 CD1 ILE A 127 7.667 4.938 -8.547 1.00 71.12 C ATOM 0 H ILE A 127 5.009 3.642 -11.668 1.00 70.53 H new ATOM 0 HA ILE A 127 4.852 6.485 -11.110 1.00 4.32 H new ATOM 0 HB ILE A 127 7.159 4.515 -11.275 1.00 32.11 H new ATOM 0 HG12 ILE A 127 5.913 6.076 -8.980 1.00 13.12 H new ATOM 0 HG13 ILE A 127 5.744 4.356 -9.271 1.00 13.12 H new ATOM 0 HG21 ILE A 127 8.629 6.352 -10.501 1.00 51.14 H new ATOM 0 HG22 ILE A 127 7.950 6.685 -12.112 1.00 51.14 H new ATOM 0 HG23 ILE A 127 7.280 7.499 -10.678 1.00 51.14 H new ATOM 0 HD11 ILE A 127 7.383 4.790 -7.505 1.00 71.12 H new ATOM 0 HD12 ILE A 127 8.170 4.045 -8.917 1.00 71.12 H new ATOM 0 HD13 ILE A 127 8.341 5.791 -8.621 1.00 71.12 H new ATOM 1979 N ASN A 128 6.265 5.284 -13.873 1.00 3.14 N ATOM 1980 CA ASN A 128 6.691 5.627 -15.231 1.00 15.11 C ATOM 1981 C ASN A 128 5.492 5.682 -16.183 1.00 12.31 C ATOM 1982 O ASN A 128 4.928 6.784 -16.376 1.00 54.00 O ATOM 1983 CB ASN A 128 7.735 4.620 -15.739 1.00 44.12 C ATOM 1984 CG ASN A 128 8.981 4.581 -14.871 1.00 43.45 C ATOM 1985 OD1 ASN A 128 9.934 5.332 -15.090 1.00 24.11 O ATOM 1986 ND2 ASN A 128 8.983 3.709 -13.874 1.00 30.55 N ATOM 1987 OXT ASN A 128 5.109 4.628 -16.733 1.00 0.00 O ATOM 0 H ASN A 128 6.406 4.305 -13.623 1.00 3.14 H new ATOM 0 HA ASN A 128 7.148 6.616 -15.203 1.00 15.11 H new ATOM 0 HB2 ASN A 128 7.289 3.626 -15.773 1.00 44.12 H new ATOM 0 HB3 ASN A 128 8.016 4.878 -16.760 1.00 44.12 H new ATOM 0 HD21 ASN A 128 9.792 3.643 -13.256 1.00 30.55 H new ATOM 0 HD22 ASN A 128 8.176 3.104 -13.724 1.00 30.55 H new