USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 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 130:sc= 0.559 USER MOD Set 1.2: A 124 ASN : amide:sc= 0.629 X(o=1.2,f=0.99) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= -0.23 USER MOD Set 2.2: A 62 GLN : amide:sc= -0.78 K(o=-1,f=0.69) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.743 K(o=1.9,f=1.2) USER MOD Set 3.2: A 103 LYS NZ :NH3+ -117:sc= 1.2 (180deg=-0.52) USER MOD Single : A 22 MET CE :methyl -152:sc= -0.153 (180deg=-1.23) USER MOD Single : A 25 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.5) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -77:sc= 1.06 USER MOD Single : A 37 SER OG : rot -28:sc= 0.114 USER MOD Single : A 38 CYS SG : rot -100:sc= -3.54! USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 65 LYS NZ :NH3+ -154:sc= -2.81! (180deg=-4.77!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.12) USER MOD Single : A 77 TYR OH : rot -146:sc= 0.84 USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= 2.13 (180deg=1.21) USER MOD Single : A 80 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.74) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 85 GLN : amide:sc= -0.815 K(o=-0.82,f=0.018) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.246 K(o=-0.25,f=-4.5!) 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 102:sc= 0.17 USER MOD Single : A 101 MET CE :methyl -120:sc= -0.599 (180deg=-2.7) USER MOD Single : A 104 ASN : amide:sc= 0.405 K(o=0.41,f=-9.1!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -141:sc= -1.68 (180deg=-4.11!) USER MOD Single : A 109 SER OG : rot 141:sc= 0.472 USER MOD Single : A 110 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.4) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -142:sc= -1.28! (180deg=-4.28!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.394 K(o=0.39,f=-0.33) USER MOD Single : A 126 ASN : amide:sc= -0.997! C(o=-1!,f=-2.6!) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 9.174 3.641 7.620 1.00 72.34 N ATOM 308 CA MET A 22 8.706 4.243 6.374 1.00 70.32 C ATOM 309 C MET A 22 7.292 3.768 6.068 1.00 71.43 C ATOM 310 O MET A 22 6.507 4.481 5.438 1.00 45.01 O ATOM 311 CB MET A 22 9.647 3.899 5.210 1.00 42.32 C ATOM 312 CG MET A 22 11.033 4.511 5.347 1.00 4.34 C ATOM 313 SD MET A 22 11.007 6.319 5.342 1.00 12.44 S ATOM 314 CE MET A 22 10.285 6.652 3.734 1.00 54.22 C ATOM 0 HA MET A 22 8.701 5.326 6.495 1.00 70.32 H new ATOM 0 HB2 MET A 22 9.743 2.816 5.139 1.00 42.32 H new ATOM 0 HB3 MET A 22 9.198 4.241 4.277 1.00 42.32 H new ATOM 0 HG2 MET A 22 11.489 4.162 6.273 1.00 4.34 H new ATOM 0 HG3 MET A 22 11.662 4.159 4.530 1.00 4.34 H new ATOM 0 HE1 MET A 22 10.638 7.617 3.369 1.00 54.22 H new ATOM 0 HE2 MET A 22 10.579 5.870 3.034 1.00 54.22 H new ATOM 0 HE3 MET A 22 9.199 6.672 3.820 1.00 54.22 H new ATOM 324 N ILE A 23 6.974 2.556 6.518 1.00 51.43 N ATOM 325 CA ILE A 23 5.619 2.032 6.402 1.00 64.31 C ATOM 326 C ILE A 23 4.703 2.844 7.316 1.00 10.14 C ATOM 327 O ILE A 23 4.676 2.632 8.532 1.00 52.23 O ATOM 328 CB ILE A 23 5.541 0.529 6.786 1.00 21.24 C ATOM 329 CG1 ILE A 23 6.616 -0.288 6.046 1.00 71.00 C ATOM 330 CG2 ILE A 23 4.149 -0.033 6.495 1.00 13.04 C ATOM 331 CD1 ILE A 23 6.574 -0.167 4.537 1.00 1.10 C ATOM 0 H ILE A 23 7.636 1.921 6.965 1.00 51.43 H new ATOM 0 HA ILE A 23 5.304 2.118 5.362 1.00 64.31 H new ATOM 0 HB ILE A 23 5.730 0.448 7.856 1.00 21.24 H new ATOM 0 HG12 ILE A 23 7.599 0.029 6.395 1.00 71.00 H new ATOM 0 HG13 ILE A 23 6.505 -1.338 6.316 1.00 71.00 H new ATOM 0 HG21 ILE A 23 4.117 -1.087 6.771 1.00 13.04 H new ATOM 0 HG22 ILE A 23 3.406 0.517 7.074 1.00 13.04 H new ATOM 0 HG23 ILE A 23 3.930 0.070 5.432 1.00 13.04 H new ATOM 0 HD11 ILE A 23 7.366 -0.775 4.101 1.00 1.10 H new ATOM 0 HD12 ILE A 23 5.607 -0.513 4.171 1.00 1.10 H new ATOM 0 HD13 ILE A 23 6.718 0.875 4.251 1.00 1.10 H new ATOM 343 N GLU A 24 3.984 3.798 6.733 1.00 13.34 N ATOM 344 CA GLU A 24 3.182 4.735 7.508 1.00 5.05 C ATOM 345 C GLU A 24 1.922 4.039 8.026 1.00 70.21 C ATOM 346 O GLU A 24 1.041 3.654 7.257 1.00 51.04 O ATOM 347 CB GLU A 24 2.853 5.970 6.659 1.00 54.13 C ATOM 348 CG GLU A 24 2.422 7.189 7.470 1.00 3.23 C ATOM 349 CD GLU A 24 2.523 8.481 6.674 1.00 75.23 C ATOM 350 OE1 GLU A 24 3.659 8.958 6.453 1.00 41.40 O ATOM 351 OE2 GLU A 24 1.480 9.024 6.262 1.00 22.42 O ATOM 0 H GLU A 24 3.941 3.942 5.724 1.00 13.34 H new ATOM 0 HA GLU A 24 3.748 5.076 8.375 1.00 5.05 H new ATOM 0 HB2 GLU A 24 3.729 6.233 6.066 1.00 54.13 H new ATOM 0 HB3 GLU A 24 2.058 5.714 5.958 1.00 54.13 H new ATOM 0 HG2 GLU A 24 1.394 7.053 7.807 1.00 3.23 H new ATOM 0 HG3 GLU A 24 3.043 7.266 8.363 1.00 3.23 H new ATOM 358 N GLN A 25 1.863 3.870 9.337 1.00 13.25 N ATOM 359 CA GLN A 25 0.845 3.049 9.980 1.00 22.11 C ATOM 360 C GLN A 25 -0.399 3.884 10.306 1.00 3.01 C ATOM 361 O GLN A 25 -0.290 4.975 10.873 1.00 62.01 O ATOM 362 CB GLN A 25 1.450 2.428 11.246 1.00 55.23 C ATOM 363 CG GLN A 25 0.652 1.271 11.824 1.00 55.35 C ATOM 364 CD GLN A 25 1.410 0.503 12.903 1.00 50.40 C ATOM 365 OE1 GLN A 25 1.225 -0.703 13.065 1.00 21.44 O ATOM 366 NE2 GLN A 25 2.262 1.189 13.652 1.00 4.03 N ATOM 0 H GLN A 25 2.520 4.299 9.988 1.00 13.25 H new ATOM 0 HA GLN A 25 0.527 2.254 9.306 1.00 22.11 H new ATOM 0 HB2 GLN A 25 2.458 2.080 11.019 1.00 55.23 H new ATOM 0 HB3 GLN A 25 1.544 3.203 12.006 1.00 55.23 H new ATOM 0 HG2 GLN A 25 -0.279 1.653 12.244 1.00 55.35 H new ATOM 0 HG3 GLN A 25 0.382 0.586 11.020 1.00 55.35 H new ATOM 0 HE21 GLN A 25 2.392 2.188 13.492 1.00 4.03 H new ATOM 0 HE22 GLN A 25 2.787 0.718 14.388 1.00 4.03 H new ATOM 375 N ILE A 26 -1.579 3.371 9.934 1.00 73.51 N ATOM 376 CA ILE A 26 -2.842 4.106 10.086 1.00 23.32 C ATOM 377 C ILE A 26 -3.995 3.160 10.430 1.00 21.42 C ATOM 378 O ILE A 26 -3.801 1.949 10.555 1.00 44.01 O ATOM 379 CB ILE A 26 -3.220 4.890 8.800 1.00 55.34 C ATOM 380 CG1 ILE A 26 -3.384 3.931 7.605 1.00 54.32 C ATOM 381 CG2 ILE A 26 -2.180 5.968 8.497 1.00 34.23 C ATOM 382 CD1 ILE A 26 -3.917 4.597 6.353 1.00 63.34 C ATOM 0 H ILE A 26 -1.685 2.444 9.523 1.00 73.51 H new ATOM 0 HA ILE A 26 -2.684 4.813 10.901 1.00 23.32 H new ATOM 0 HB ILE A 26 -4.177 5.384 8.970 1.00 55.34 H new ATOM 0 HG12 ILE A 26 -2.419 3.477 7.381 1.00 54.32 H new ATOM 0 HG13 ILE A 26 -4.058 3.123 7.890 1.00 54.32 H new ATOM 0 HG21 ILE A 26 -2.465 6.505 7.592 1.00 34.23 H new ATOM 0 HG22 ILE A 26 -2.127 6.667 9.332 1.00 34.23 H new ATOM 0 HG23 ILE A 26 -1.205 5.502 8.351 1.00 34.23 H new ATOM 0 HD11 ILE A 26 -4.005 3.858 5.557 1.00 63.34 H new ATOM 0 HD12 ILE A 26 -4.897 5.027 6.559 1.00 63.34 H new ATOM 0 HD13 ILE A 26 -3.233 5.386 6.041 1.00 63.34 H new ATOM 394 N GLY A 27 -5.194 3.725 10.588 1.00 71.54 N ATOM 395 CA GLY A 27 -6.381 2.930 10.866 1.00 24.25 C ATOM 396 C GLY A 27 -7.451 3.083 9.792 1.00 4.43 C ATOM 397 O GLY A 27 -7.229 3.746 8.776 1.00 3.35 O ATOM 0 H GLY A 27 -5.363 4.729 10.527 1.00 71.54 H new ATOM 0 HA2 GLY A 27 -6.100 1.880 10.947 1.00 24.25 H new ATOM 0 HA3 GLY A 27 -6.794 3.225 11.831 1.00 24.25 H new ATOM 401 N ASP A 28 -8.612 2.474 10.039 1.00 62.00 N ATOM 402 CA ASP A 28 -9.735 2.452 9.090 1.00 41.33 C ATOM 403 C ASP A 28 -10.096 3.847 8.571 1.00 2.02 C ATOM 404 O ASP A 28 -10.077 4.095 7.369 1.00 71.11 O ATOM 405 CB ASP A 28 -10.962 1.834 9.777 1.00 70.43 C ATOM 406 CG ASP A 28 -12.190 1.748 8.882 1.00 64.33 C ATOM 407 OD1 ASP A 28 -12.327 0.748 8.153 1.00 23.20 O ATOM 408 OD2 ASP A 28 -13.040 2.660 8.936 1.00 15.43 O ATOM 0 H ASP A 28 -8.804 1.977 10.909 1.00 62.00 H new ATOM 0 HA ASP A 28 -9.427 1.856 8.231 1.00 41.33 H new ATOM 0 HB2 ASP A 28 -10.706 0.833 10.124 1.00 70.43 H new ATOM 0 HB3 ASP A 28 -11.208 2.424 10.660 1.00 70.43 H new ATOM 413 N SER A 29 -10.404 4.757 9.488 1.00 55.53 N ATOM 414 CA SER A 29 -10.902 6.079 9.117 1.00 15.15 C ATOM 415 C SER A 29 -9.804 6.909 8.452 1.00 71.50 C ATOM 416 O SER A 29 -10.081 7.793 7.637 1.00 34.41 O ATOM 417 CB SER A 29 -11.444 6.802 10.356 1.00 20.31 C ATOM 418 OG SER A 29 -12.072 8.027 10.012 1.00 51.53 O ATOM 0 H SER A 29 -10.318 4.605 10.493 1.00 55.53 H new ATOM 0 HA SER A 29 -11.712 5.954 8.398 1.00 15.15 H new ATOM 0 HB2 SER A 29 -12.158 6.158 10.871 1.00 20.31 H new ATOM 0 HB3 SER A 29 -10.628 6.994 11.052 1.00 20.31 H new ATOM 0 HG SER A 29 -12.408 8.462 10.824 1.00 51.53 H new ATOM 424 N GLU A 30 -8.557 6.612 8.795 1.00 52.32 N ATOM 425 CA GLU A 30 -7.413 7.348 8.268 1.00 15.21 C ATOM 426 C GLU A 30 -7.151 6.966 6.815 1.00 1.31 C ATOM 427 O GLU A 30 -6.439 7.672 6.099 1.00 22.32 O ATOM 428 CB GLU A 30 -6.167 7.089 9.128 1.00 62.45 C ATOM 429 CG GLU A 30 -6.259 7.653 10.548 1.00 1.50 C ATOM 430 CD GLU A 30 -7.464 7.133 11.325 1.00 21.33 C ATOM 431 OE1 GLU A 30 -7.512 5.919 11.610 1.00 23.31 O ATOM 432 OE2 GLU A 30 -8.382 7.929 11.624 1.00 53.14 O ATOM 0 H GLU A 30 -8.310 5.861 9.440 1.00 52.32 H new ATOM 0 HA GLU A 30 -7.642 8.413 8.304 1.00 15.21 H new ATOM 0 HB2 GLU A 30 -5.996 6.014 9.186 1.00 62.45 H new ATOM 0 HB3 GLU A 30 -5.299 7.524 8.632 1.00 62.45 H new ATOM 0 HG2 GLU A 30 -5.348 7.401 11.092 1.00 1.50 H new ATOM 0 HG3 GLU A 30 -6.310 8.741 10.497 1.00 1.50 H new ATOM 439 N PHE A 31 -7.747 5.853 6.389 1.00 73.14 N ATOM 440 CA PHE A 31 -7.605 5.360 5.021 1.00 53.43 C ATOM 441 C PHE A 31 -7.944 6.453 4.006 1.00 72.50 C ATOM 442 O PHE A 31 -7.089 6.865 3.222 1.00 22.40 O ATOM 443 CB PHE A 31 -8.508 4.133 4.809 1.00 63.24 C ATOM 444 CG PHE A 31 -8.502 3.594 3.401 1.00 62.14 C ATOM 445 CD1 PHE A 31 -7.468 2.782 2.960 1.00 12.00 C ATOM 446 CD2 PHE A 31 -9.537 3.891 2.524 1.00 32.22 C ATOM 447 CE1 PHE A 31 -7.466 2.280 1.673 1.00 52.20 C ATOM 448 CE2 PHE A 31 -9.537 3.393 1.237 1.00 72.33 C ATOM 449 CZ PHE A 31 -8.502 2.586 0.811 1.00 34.43 C ATOM 0 H PHE A 31 -8.339 5.270 6.980 1.00 73.14 H new ATOM 0 HA PHE A 31 -6.566 5.068 4.866 1.00 53.43 H new ATOM 0 HB2 PHE A 31 -8.192 3.342 5.490 1.00 63.24 H new ATOM 0 HB3 PHE A 31 -9.530 4.398 5.080 1.00 63.24 H new ATOM 0 HD1 PHE A 31 -6.656 2.540 3.630 1.00 12.00 H new ATOM 0 HD2 PHE A 31 -10.352 4.519 2.853 1.00 32.22 H new ATOM 0 HE1 PHE A 31 -6.655 1.649 1.341 1.00 52.20 H new ATOM 0 HE2 PHE A 31 -10.346 3.635 0.564 1.00 72.33 H new ATOM 0 HZ PHE A 31 -8.502 2.194 -0.195 1.00 34.43 H new ATOM 459 N ASP A 32 -9.185 6.935 4.046 1.00 22.02 N ATOM 460 CA ASP A 32 -9.664 7.928 3.079 1.00 4.43 C ATOM 461 C ASP A 32 -8.763 9.155 3.059 1.00 11.34 C ATOM 462 O ASP A 32 -8.271 9.560 2.003 1.00 60.10 O ATOM 463 CB ASP A 32 -11.099 8.360 3.398 1.00 1.14 C ATOM 464 CG ASP A 32 -12.102 7.226 3.272 1.00 43.34 C ATOM 465 OD1 ASP A 32 -12.430 6.840 2.129 1.00 45.41 O ATOM 466 OD2 ASP A 32 -12.579 6.728 4.314 1.00 21.21 O ATOM 0 H ASP A 32 -9.880 6.655 4.738 1.00 22.02 H new ATOM 0 HA ASP A 32 -9.643 7.456 2.097 1.00 4.43 H new ATOM 0 HB2 ASP A 32 -11.136 8.759 4.412 1.00 1.14 H new ATOM 0 HB3 ASP A 32 -11.387 9.169 2.726 1.00 1.14 H new ATOM 471 N ASN A 33 -8.546 9.732 4.233 1.00 61.21 N ATOM 472 CA ASN A 33 -7.738 10.944 4.376 1.00 42.24 C ATOM 473 C ASN A 33 -6.363 10.771 3.732 1.00 5.50 C ATOM 474 O ASN A 33 -5.975 11.534 2.843 1.00 20.14 O ATOM 475 CB ASN A 33 -7.579 11.293 5.862 1.00 32.35 C ATOM 476 CG ASN A 33 -8.893 11.699 6.514 1.00 53.32 C ATOM 477 OD1 ASN A 33 -9.657 10.850 6.976 1.00 70.33 O ATOM 478 ND2 ASN A 33 -9.162 12.994 6.567 1.00 61.05 N ATOM 0 H ASN A 33 -8.922 9.378 5.113 1.00 61.21 H new ATOM 0 HA ASN A 33 -8.252 11.757 3.864 1.00 42.24 H new ATOM 0 HB2 ASN A 33 -7.166 10.434 6.391 1.00 32.35 H new ATOM 0 HB3 ASN A 33 -6.860 12.106 5.965 1.00 32.35 H new ATOM 0 HD21 ASN A 33 -10.026 13.318 7.001 1.00 61.05 H new ATOM 0 HD22 ASN A 33 -8.505 13.668 6.174 1.00 61.05 H new ATOM 485 N LYS A 34 -5.645 9.740 4.166 1.00 22.41 N ATOM 486 CA LYS A 34 -4.281 9.495 3.701 1.00 43.55 C ATOM 487 C LYS A 34 -4.244 9.245 2.194 1.00 71.23 C ATOM 488 O LYS A 34 -3.415 9.817 1.486 1.00 1.01 O ATOM 489 CB LYS A 34 -3.675 8.302 4.455 1.00 34.10 C ATOM 490 CG LYS A 34 -3.506 8.512 5.966 1.00 3.33 C ATOM 491 CD LYS A 34 -2.324 9.425 6.319 1.00 22.42 C ATOM 492 CE LYS A 34 -2.669 10.906 6.216 1.00 5.55 C ATOM 493 NZ LYS A 34 -1.465 11.761 6.365 1.00 53.43 N ATOM 0 H LYS A 34 -5.986 9.057 4.842 1.00 22.41 H new ATOM 0 HA LYS A 34 -3.688 10.386 3.905 1.00 43.55 H new ATOM 0 HB2 LYS A 34 -4.307 7.429 4.293 1.00 34.10 H new ATOM 0 HB3 LYS A 34 -2.700 8.075 4.023 1.00 34.10 H new ATOM 0 HG2 LYS A 34 -4.422 8.941 6.372 1.00 3.33 H new ATOM 0 HG3 LYS A 34 -3.366 7.544 6.448 1.00 3.33 H new ATOM 0 HD2 LYS A 34 -1.991 9.204 7.333 1.00 22.42 H new ATOM 0 HD3 LYS A 34 -1.489 9.204 5.654 1.00 22.42 H new ATOM 0 HE2 LYS A 34 -3.139 11.104 5.253 1.00 5.55 H new ATOM 0 HE3 LYS A 34 -3.397 11.165 6.985 1.00 5.55 H new ATOM 0 HZ1 LYS A 34 -1.738 12.762 6.289 1.00 53.43 H new ATOM 0 HZ2 LYS A 34 -1.031 11.590 7.294 1.00 53.43 H new ATOM 0 HZ3 LYS A 34 -0.781 11.531 5.616 1.00 53.43 H new ATOM 507 N VAL A 35 -5.162 8.409 1.708 1.00 44.55 N ATOM 508 CA VAL A 35 -5.200 8.042 0.292 1.00 32.22 C ATOM 509 C VAL A 35 -5.502 9.254 -0.589 1.00 74.33 C ATOM 510 O VAL A 35 -4.900 9.423 -1.648 1.00 41.45 O ATOM 511 CB VAL A 35 -6.234 6.916 0.018 1.00 3.52 C ATOM 512 CG1 VAL A 35 -6.378 6.650 -1.482 1.00 11.43 C ATOM 513 CG2 VAL A 35 -5.832 5.637 0.754 1.00 54.24 C ATOM 0 H VAL A 35 -5.890 7.973 2.274 1.00 44.55 H new ATOM 0 HA VAL A 35 -4.209 7.665 0.038 1.00 32.22 H new ATOM 0 HB VAL A 35 -7.203 7.247 0.392 1.00 3.52 H new ATOM 0 HG11 VAL A 35 -7.108 5.857 -1.642 1.00 11.43 H new ATOM 0 HG12 VAL A 35 -6.713 7.559 -1.982 1.00 11.43 H new ATOM 0 HG13 VAL A 35 -5.415 6.345 -1.891 1.00 11.43 H new ATOM 0 HG21 VAL A 35 -6.565 4.856 0.553 1.00 54.24 H new ATOM 0 HG22 VAL A 35 -4.851 5.311 0.408 1.00 54.24 H new ATOM 0 HG23 VAL A 35 -5.793 5.831 1.826 1.00 54.24 H new ATOM 523 N THR A 36 -6.422 10.104 -0.143 1.00 41.44 N ATOM 524 CA THR A 36 -6.812 11.279 -0.918 1.00 72.00 C ATOM 525 C THR A 36 -5.772 12.394 -0.785 1.00 51.43 C ATOM 526 O THR A 36 -5.639 13.241 -1.673 1.00 3.43 O ATOM 527 CB THR A 36 -8.196 11.805 -0.481 1.00 10.44 C ATOM 528 OG1 THR A 36 -8.178 12.128 0.916 1.00 40.34 O ATOM 529 CG2 THR A 36 -9.283 10.768 -0.753 1.00 2.34 C ATOM 0 H THR A 36 -6.910 10.003 0.747 1.00 41.44 H new ATOM 0 HA THR A 36 -6.870 10.972 -1.962 1.00 72.00 H new ATOM 0 HB THR A 36 -8.418 12.702 -1.060 1.00 10.44 H new ATOM 0 HG1 THR A 36 -8.241 11.304 1.443 1.00 40.34 H new ATOM 0 HG21 THR A 36 -10.249 11.162 -0.437 1.00 2.34 H new ATOM 0 HG22 THR A 36 -9.314 10.544 -1.819 1.00 2.34 H new ATOM 0 HG23 THR A 36 -9.063 9.856 -0.197 1.00 2.34 H new ATOM 537 N SER A 37 -5.025 12.376 0.321 1.00 34.51 N ATOM 538 CA SER A 37 -3.979 13.367 0.569 1.00 21.22 C ATOM 539 C SER A 37 -2.884 13.306 -0.501 1.00 12.31 C ATOM 540 O SER A 37 -2.072 14.229 -0.610 1.00 34.51 O ATOM 541 CB SER A 37 -3.365 13.155 1.962 1.00 51.01 C ATOM 542 OG SER A 37 -2.365 14.125 2.244 1.00 24.03 O ATOM 0 H SER A 37 -5.127 11.682 1.061 1.00 34.51 H new ATOM 0 HA SER A 37 -4.439 14.354 0.525 1.00 21.22 H new ATOM 0 HB2 SER A 37 -4.148 13.208 2.718 1.00 51.01 H new ATOM 0 HB3 SER A 37 -2.932 12.157 2.022 1.00 51.01 H new ATOM 0 HG SER A 37 -1.962 14.433 1.405 1.00 24.03 H new ATOM 548 N CYS A 38 -2.863 12.221 -1.276 1.00 73.23 N ATOM 549 CA CYS A 38 -1.885 12.044 -2.349 1.00 5.34 C ATOM 550 C CYS A 38 -1.823 13.290 -3.240 1.00 30.15 C ATOM 551 O CYS A 38 -2.801 13.632 -3.908 1.00 23.10 O ATOM 552 CB CYS A 38 -2.247 10.812 -3.183 1.00 23.32 C ATOM 553 SG CYS A 38 -3.919 10.853 -3.868 1.00 52.51 S ATOM 0 H CYS A 38 -3.518 11.446 -1.179 1.00 73.23 H new ATOM 0 HA CYS A 38 -0.901 11.897 -1.903 1.00 5.34 H new ATOM 0 HB2 CYS A 38 -1.533 10.717 -4.001 1.00 23.32 H new ATOM 0 HB3 CYS A 38 -2.141 9.922 -2.562 1.00 23.32 H new ATOM 0 HG CYS A 38 -4.709 10.132 -3.128 1.00 52.51 H new ATOM 559 N ASN A 39 -0.676 13.969 -3.222 1.00 74.43 N ATOM 560 CA ASN A 39 -0.493 15.214 -3.972 1.00 3.34 C ATOM 561 C ASN A 39 -0.676 14.987 -5.472 1.00 2.53 C ATOM 562 O ASN A 39 -1.659 15.438 -6.061 1.00 30.44 O ATOM 563 CB ASN A 39 0.897 15.812 -3.699 1.00 22.14 C ATOM 564 CG ASN A 39 1.116 16.154 -2.234 1.00 42.43 C ATOM 565 OD1 ASN A 39 1.554 15.312 -1.449 1.00 23.21 O ATOM 566 ND2 ASN A 39 0.813 17.386 -1.850 1.00 64.12 N ATOM 0 H ASN A 39 0.146 13.676 -2.693 1.00 74.43 H new ATOM 0 HA ASN A 39 -1.254 15.918 -3.635 1.00 3.34 H new ATOM 0 HB2 ASN A 39 1.661 15.104 -4.020 1.00 22.14 H new ATOM 0 HB3 ASN A 39 1.024 16.712 -4.300 1.00 22.14 H new ATOM 0 HD21 ASN A 39 0.941 17.663 -0.877 1.00 64.12 H new ATOM 0 HD22 ASN A 39 0.452 18.057 -2.528 1.00 64.12 H new ATOM 573 N ASP A 40 0.277 14.288 -6.085 1.00 63.35 N ATOM 574 CA ASP A 40 0.230 14.021 -7.520 1.00 52.55 C ATOM 575 C ASP A 40 1.043 12.774 -7.858 1.00 22.11 C ATOM 576 O ASP A 40 2.234 12.699 -7.547 1.00 41.21 O ATOM 577 CB ASP A 40 0.763 15.225 -8.307 1.00 31.00 C ATOM 578 CG ASP A 40 0.756 14.986 -9.809 1.00 73.14 C ATOM 579 OD1 ASP A 40 -0.333 15.054 -10.420 1.00 73.41 O ATOM 580 OD2 ASP A 40 1.833 14.719 -10.382 1.00 22.23 O ATOM 0 H ASP A 40 1.091 13.897 -5.610 1.00 63.35 H new ATOM 0 HA ASP A 40 -0.809 13.849 -7.803 1.00 52.55 H new ATOM 0 HB2 ASP A 40 0.157 16.102 -8.079 1.00 31.00 H new ATOM 0 HB3 ASP A 40 1.780 15.447 -7.982 1.00 31.00 H new ATOM 585 N ASN A 41 0.379 11.793 -8.470 1.00 71.31 N ATOM 586 CA ASN A 41 1.006 10.524 -8.862 1.00 25.23 C ATOM 587 C ASN A 41 1.597 9.793 -7.660 1.00 64.42 C ATOM 588 O ASN A 41 2.406 8.878 -7.818 1.00 0.05 O ATOM 589 CB ASN A 41 2.079 10.729 -9.949 1.00 2.44 C ATOM 590 CG ASN A 41 1.480 10.941 -11.326 1.00 22.41 C ATOM 591 OD1 ASN A 41 1.156 9.980 -12.028 1.00 3.33 O ATOM 592 ND2 ASN A 41 1.323 12.192 -11.727 1.00 74.31 N ATOM 0 H ASN A 41 -0.611 11.853 -8.710 1.00 71.31 H new ATOM 0 HA ASN A 41 0.216 9.901 -9.282 1.00 25.23 H new ATOM 0 HB2 ASN A 41 2.695 11.589 -9.688 1.00 2.44 H new ATOM 0 HB3 ASN A 41 2.737 9.861 -9.973 1.00 2.44 H new ATOM 0 HD21 ASN A 41 0.922 12.387 -12.644 1.00 74.31 H new ATOM 0 HD22 ASN A 41 1.603 12.961 -11.119 1.00 74.31 H new ATOM 599 N ILE A 42 1.167 10.175 -6.463 1.00 23.02 N ATOM 600 CA ILE A 42 1.628 9.525 -5.248 1.00 4.13 C ATOM 601 C ILE A 42 0.962 8.160 -5.112 1.00 50.31 C ATOM 602 O ILE A 42 -0.194 8.057 -4.695 1.00 3.13 O ATOM 603 CB ILE A 42 1.336 10.379 -3.989 1.00 34.55 C ATOM 604 CG1 ILE A 42 1.978 11.771 -4.123 1.00 55.44 C ATOM 605 CG2 ILE A 42 1.834 9.674 -2.726 1.00 31.15 C ATOM 606 CD1 ILE A 42 3.489 11.745 -4.257 1.00 74.53 C ATOM 0 H ILE A 42 0.500 10.932 -6.311 1.00 23.02 H new ATOM 0 HA ILE A 42 2.709 9.406 -5.323 1.00 4.13 H new ATOM 0 HB ILE A 42 0.257 10.504 -3.903 1.00 34.55 H new ATOM 0 HG12 ILE A 42 1.555 12.272 -4.994 1.00 55.44 H new ATOM 0 HG13 ILE A 42 1.711 12.368 -3.251 1.00 55.44 H new ATOM 0 HG21 ILE A 42 1.618 10.293 -1.855 1.00 31.15 H new ATOM 0 HG22 ILE A 42 1.330 8.713 -2.623 1.00 31.15 H new ATOM 0 HG23 ILE A 42 2.910 9.513 -2.799 1.00 31.15 H new ATOM 0 HD11 ILE A 42 3.864 12.765 -4.347 1.00 74.53 H new ATOM 0 HD12 ILE A 42 3.924 11.274 -3.375 1.00 74.53 H new ATOM 0 HD13 ILE A 42 3.766 11.177 -5.145 1.00 74.53 H new ATOM 618 N LEU A 43 1.682 7.126 -5.521 1.00 14.32 N ATOM 619 CA LEU A 43 1.187 5.765 -5.459 1.00 12.11 C ATOM 620 C LEU A 43 1.197 5.285 -4.011 1.00 64.44 C ATOM 621 O LEU A 43 2.257 5.106 -3.400 1.00 42.22 O ATOM 622 CB LEU A 43 2.035 4.841 -6.353 1.00 12.25 C ATOM 623 CG LEU A 43 1.255 3.756 -7.122 1.00 4.44 C ATOM 624 CD1 LEU A 43 2.211 2.846 -7.891 1.00 44.34 C ATOM 625 CD2 LEU A 43 0.363 2.946 -6.181 1.00 43.24 C ATOM 0 H LEU A 43 2.624 7.210 -5.904 1.00 14.32 H new ATOM 0 HA LEU A 43 0.163 5.737 -5.831 1.00 12.11 H new ATOM 0 HB2 LEU A 43 2.572 5.457 -7.075 1.00 12.25 H new ATOM 0 HB3 LEU A 43 2.785 4.352 -5.731 1.00 12.25 H new ATOM 0 HG LEU A 43 0.607 4.254 -7.843 1.00 4.44 H new ATOM 0 HD11 LEU A 43 1.640 2.088 -8.426 1.00 44.34 H new ATOM 0 HD12 LEU A 43 2.784 3.439 -8.604 1.00 44.34 H new ATOM 0 HD13 LEU A 43 2.893 2.361 -7.192 1.00 44.34 H new ATOM 0 HD21 LEU A 43 -0.175 2.189 -6.751 1.00 43.24 H new ATOM 0 HD22 LEU A 43 0.979 2.461 -5.424 1.00 43.24 H new ATOM 0 HD23 LEU A 43 -0.352 3.610 -5.696 1.00 43.24 H new ATOM 637 N ILE A 44 0.006 5.104 -3.471 1.00 33.41 N ATOM 638 CA ILE A 44 -0.173 4.675 -2.097 1.00 62.33 C ATOM 639 C ILE A 44 -0.507 3.187 -2.042 1.00 0.11 C ATOM 640 O ILE A 44 -1.542 2.751 -2.546 1.00 22.44 O ATOM 641 CB ILE A 44 -1.286 5.509 -1.412 1.00 44.33 C ATOM 642 CG1 ILE A 44 -0.825 6.974 -1.287 1.00 41.34 C ATOM 643 CG2 ILE A 44 -1.658 4.924 -0.050 1.00 53.20 C ATOM 644 CD1 ILE A 44 -1.822 7.887 -0.612 1.00 34.34 C ATOM 0 H ILE A 44 -0.868 5.251 -3.976 1.00 33.41 H new ATOM 0 HA ILE A 44 0.761 4.837 -1.558 1.00 62.33 H new ATOM 0 HB ILE A 44 -2.185 5.474 -2.028 1.00 44.33 H new ATOM 0 HG12 ILE A 44 0.110 7.001 -0.728 1.00 41.34 H new ATOM 0 HG13 ILE A 44 -0.613 7.362 -2.283 1.00 41.34 H new ATOM 0 HG21 ILE A 44 -2.441 5.531 0.405 1.00 53.20 H new ATOM 0 HG22 ILE A 44 -2.019 3.903 -0.179 1.00 53.20 H new ATOM 0 HG23 ILE A 44 -0.780 4.920 0.596 1.00 53.20 H new ATOM 0 HD11 ILE A 44 -1.417 8.898 -0.566 1.00 34.34 H new ATOM 0 HD12 ILE A 44 -2.752 7.894 -1.181 1.00 34.34 H new ATOM 0 HD13 ILE A 44 -2.018 7.528 0.399 1.00 34.34 H new ATOM 656 N LEU A 45 0.396 2.413 -1.451 1.00 20.25 N ATOM 657 CA LEU A 45 0.220 0.973 -1.309 1.00 11.12 C ATOM 658 C LEU A 45 -0.190 0.646 0.123 1.00 33.44 C ATOM 659 O LEU A 45 0.625 0.728 1.039 1.00 41.03 O ATOM 660 CB LEU A 45 1.517 0.217 -1.656 1.00 72.10 C ATOM 661 CG LEU A 45 2.024 0.359 -3.104 1.00 42.33 C ATOM 662 CD1 LEU A 45 2.597 1.752 -3.361 1.00 54.40 C ATOM 663 CD2 LEU A 45 3.064 -0.716 -3.411 1.00 42.24 C ATOM 0 H LEU A 45 1.269 2.765 -1.058 1.00 20.25 H new ATOM 0 HA LEU A 45 -0.559 0.655 -2.002 1.00 11.12 H new ATOM 0 HB2 LEU A 45 2.303 0.560 -0.983 1.00 72.10 H new ATOM 0 HB3 LEU A 45 1.361 -0.842 -1.451 1.00 72.10 H new ATOM 0 HG LEU A 45 1.173 0.224 -3.772 1.00 42.33 H new ATOM 0 HD11 LEU A 45 2.945 1.818 -4.392 1.00 54.40 H new ATOM 0 HD12 LEU A 45 1.823 2.501 -3.191 1.00 54.40 H new ATOM 0 HD13 LEU A 45 3.432 1.933 -2.684 1.00 54.40 H new ATOM 0 HD21 LEU A 45 3.413 -0.602 -4.438 1.00 42.24 H new ATOM 0 HD22 LEU A 45 3.907 -0.612 -2.728 1.00 42.24 H new ATOM 0 HD23 LEU A 45 2.616 -1.702 -3.287 1.00 42.24 H new ATOM 675 N VAL A 46 -1.451 0.299 0.316 1.00 1.05 N ATOM 676 CA VAL A 46 -1.964 -0.029 1.644 1.00 14.41 C ATOM 677 C VAL A 46 -1.961 -1.539 1.859 1.00 45.41 C ATOM 678 O VAL A 46 -2.792 -2.253 1.294 1.00 22.53 O ATOM 679 CB VAL A 46 -3.406 0.513 1.852 1.00 43.32 C ATOM 680 CG1 VAL A 46 -3.905 0.229 3.272 1.00 73.52 C ATOM 681 CG2 VAL A 46 -3.471 2.009 1.544 1.00 71.31 C ATOM 0 H VAL A 46 -2.144 0.236 -0.430 1.00 1.05 H new ATOM 0 HA VAL A 46 -1.306 0.448 2.370 1.00 14.41 H new ATOM 0 HB VAL A 46 -4.063 -0.009 1.157 1.00 43.32 H new ATOM 0 HG11 VAL A 46 -4.916 0.620 3.387 1.00 73.52 H new ATOM 0 HG12 VAL A 46 -3.909 -0.847 3.448 1.00 73.52 H new ATOM 0 HG13 VAL A 46 -3.245 0.712 3.993 1.00 73.52 H new ATOM 0 HG21 VAL A 46 -4.489 2.368 1.696 1.00 71.31 H new ATOM 0 HG22 VAL A 46 -2.794 2.547 2.208 1.00 71.31 H new ATOM 0 HG23 VAL A 46 -3.177 2.180 0.509 1.00 71.31 H new ATOM 691 N ASP A 47 -1.009 -2.022 2.653 1.00 32.11 N ATOM 692 CA ASP A 47 -0.934 -3.445 2.991 1.00 35.03 C ATOM 693 C ASP A 47 -1.874 -3.775 4.152 1.00 2.33 C ATOM 694 O ASP A 47 -2.164 -2.925 5.001 1.00 41.33 O ATOM 695 CB ASP A 47 0.511 -3.848 3.327 1.00 33.24 C ATOM 696 CG ASP A 47 0.655 -5.326 3.692 1.00 41.42 C ATOM 697 OD1 ASP A 47 -0.048 -6.172 3.097 1.00 65.24 O ATOM 698 OD2 ASP A 47 1.472 -5.639 4.582 1.00 43.34 O ATOM 0 H ASP A 47 -0.277 -1.451 3.076 1.00 32.11 H new ATOM 0 HA ASP A 47 -1.253 -4.020 2.122 1.00 35.03 H new ATOM 0 HB2 ASP A 47 1.151 -3.627 2.473 1.00 33.24 H new ATOM 0 HB3 ASP A 47 0.867 -3.239 4.158 1.00 33.24 H new ATOM 703 N PHE A 48 -2.346 -5.016 4.174 1.00 13.10 N ATOM 704 CA PHE A 48 -3.336 -5.475 5.144 1.00 51.50 C ATOM 705 C PHE A 48 -2.733 -5.609 6.551 1.00 55.02 C ATOM 706 O PHE A 48 -1.514 -5.486 6.743 1.00 14.32 O ATOM 707 CB PHE A 48 -3.927 -6.817 4.669 1.00 44.54 C ATOM 708 CG PHE A 48 -5.061 -7.344 5.517 1.00 13.24 C ATOM 709 CD1 PHE A 48 -6.232 -6.616 5.663 1.00 21.11 C ATOM 710 CD2 PHE A 48 -4.953 -8.564 6.167 1.00 4.03 C ATOM 711 CE1 PHE A 48 -7.270 -7.096 6.440 1.00 34.34 C ATOM 712 CE2 PHE A 48 -5.988 -9.047 6.942 1.00 10.42 C ATOM 713 CZ PHE A 48 -7.147 -8.314 7.079 1.00 21.35 C ATOM 0 H PHE A 48 -2.051 -5.737 3.516 1.00 13.10 H new ATOM 0 HA PHE A 48 -4.130 -4.731 5.210 1.00 51.50 H new ATOM 0 HB2 PHE A 48 -4.281 -6.700 3.645 1.00 44.54 H new ATOM 0 HB3 PHE A 48 -3.131 -7.561 4.648 1.00 44.54 H new ATOM 0 HD1 PHE A 48 -6.334 -5.664 5.164 1.00 21.11 H new ATOM 0 HD2 PHE A 48 -4.047 -9.144 6.066 1.00 4.03 H new ATOM 0 HE1 PHE A 48 -8.176 -6.519 6.547 1.00 34.34 H new ATOM 0 HE2 PHE A 48 -5.890 -10.000 7.441 1.00 10.42 H new ATOM 0 HZ PHE A 48 -7.957 -8.691 7.685 1.00 21.35 H new ATOM 836 N ARG A 57 8.584 -11.688 6.396 1.00 65.43 N ATOM 837 CA ARG A 57 9.901 -11.469 6.985 1.00 31.01 C ATOM 838 C ARG A 57 10.798 -10.711 6.001 1.00 61.02 C ATOM 839 O ARG A 57 11.463 -9.747 6.377 1.00 32.13 O ATOM 840 CB ARG A 57 10.511 -12.830 7.378 1.00 43.53 C ATOM 841 CG ARG A 57 11.751 -12.765 8.276 1.00 4.51 C ATOM 842 CD ARG A 57 13.032 -12.466 7.503 1.00 13.14 C ATOM 843 NE ARG A 57 14.217 -12.589 8.354 1.00 43.13 N ATOM 844 CZ ARG A 57 15.454 -12.792 7.900 1.00 14.54 C ATOM 845 NH1 ARG A 57 15.698 -12.812 6.596 1.00 52.32 N ATOM 846 NH2 ARG A 57 16.455 -12.950 8.755 1.00 51.12 N ATOM 0 HA ARG A 57 9.812 -10.858 7.883 1.00 31.01 H new ATOM 0 HB2 ARG A 57 9.746 -13.417 7.887 1.00 43.53 H new ATOM 0 HB3 ARG A 57 10.772 -13.368 6.467 1.00 43.53 H new ATOM 0 HG2 ARG A 57 11.603 -11.997 9.035 1.00 4.51 H new ATOM 0 HG3 ARG A 57 11.863 -13.714 8.801 1.00 4.51 H new ATOM 0 HD2 ARG A 57 13.117 -13.151 6.659 1.00 13.14 H new ATOM 0 HD3 ARG A 57 12.982 -11.458 7.091 1.00 13.14 H new ATOM 0 HE ARG A 57 14.087 -12.514 9.363 1.00 43.13 H new ATOM 0 HH11 ARG A 57 14.936 -12.671 5.932 1.00 52.32 H new ATOM 0 HH12 ARG A 57 16.647 -12.968 6.257 1.00 52.32 H new ATOM 0 HH21 ARG A 57 16.278 -12.916 9.759 1.00 51.12 H new ATOM 0 HH22 ARG A 57 17.402 -13.105 8.409 1.00 51.12 H new ATOM 860 N SER A 58 10.834 -11.171 4.752 1.00 1.13 N ATOM 861 CA SER A 58 11.544 -10.468 3.682 1.00 3.10 C ATOM 862 C SER A 58 10.762 -9.230 3.205 1.00 53.12 C ATOM 863 O SER A 58 11.327 -8.145 3.001 1.00 10.52 O ATOM 864 CB SER A 58 11.798 -11.424 2.510 1.00 25.51 C ATOM 865 OG SER A 58 12.520 -10.788 1.469 1.00 3.10 O ATOM 0 H SER A 58 10.377 -12.033 4.454 1.00 1.13 H new ATOM 0 HA SER A 58 12.499 -10.122 4.078 1.00 3.10 H new ATOM 0 HB2 SER A 58 12.354 -12.293 2.862 1.00 25.51 H new ATOM 0 HB3 SER A 58 10.846 -11.789 2.124 1.00 25.51 H new ATOM 0 HG SER A 58 12.667 -11.423 0.737 1.00 3.10 H new ATOM 871 N LEU A 59 9.453 -9.401 3.030 1.00 5.43 N ATOM 872 CA LEU A 59 8.612 -8.382 2.403 1.00 23.14 C ATOM 873 C LEU A 59 8.610 -7.058 3.171 1.00 13.14 C ATOM 874 O LEU A 59 8.748 -6.002 2.561 1.00 75.15 O ATOM 875 CB LEU A 59 7.176 -8.906 2.215 1.00 54.21 C ATOM 876 CG LEU A 59 6.923 -9.695 0.913 1.00 54.40 C ATOM 877 CD1 LEU A 59 6.984 -8.767 -0.297 1.00 43.04 C ATOM 878 CD2 LEU A 59 7.923 -10.845 0.763 1.00 21.01 C ATOM 0 H LEU A 59 8.949 -10.241 3.315 1.00 5.43 H new ATOM 0 HA LEU A 59 9.046 -8.174 1.425 1.00 23.14 H new ATOM 0 HB2 LEU A 59 6.927 -9.546 3.062 1.00 54.21 H new ATOM 0 HB3 LEU A 59 6.491 -8.058 2.245 1.00 54.21 H new ATOM 0 HG LEU A 59 5.923 -10.125 0.968 1.00 54.40 H new ATOM 0 HD11 LEU A 59 6.803 -9.341 -1.206 1.00 43.04 H new ATOM 0 HD12 LEU A 59 6.223 -7.992 -0.200 1.00 43.04 H new ATOM 0 HD13 LEU A 59 7.969 -8.304 -0.351 1.00 43.04 H new ATOM 0 HD21 LEU A 59 7.722 -11.384 -0.163 1.00 21.01 H new ATOM 0 HD22 LEU A 59 8.937 -10.445 0.737 1.00 21.01 H new ATOM 0 HD23 LEU A 59 7.824 -11.526 1.608 1.00 21.01 H new ATOM 890 N GLU A 60 8.465 -7.112 4.494 1.00 62.52 N ATOM 891 CA GLU A 60 8.393 -5.893 5.305 1.00 54.12 C ATOM 892 C GLU A 60 9.610 -4.983 5.051 1.00 3.23 C ATOM 893 O GLU A 60 9.438 -3.822 4.666 1.00 12.20 O ATOM 894 CB GLU A 60 8.250 -6.233 6.800 1.00 62.14 C ATOM 895 CG GLU A 60 6.967 -6.986 7.140 1.00 12.14 C ATOM 896 CD GLU A 60 6.919 -7.434 8.592 1.00 20.13 C ATOM 897 OE1 GLU A 60 7.387 -8.555 8.889 1.00 74.24 O ATOM 898 OE2 GLU A 60 6.431 -6.660 9.444 1.00 63.43 O ATOM 0 H GLU A 60 8.395 -7.979 5.026 1.00 62.52 H new ATOM 0 HA GLU A 60 7.502 -5.342 5.003 1.00 54.12 H new ATOM 0 HB2 GLU A 60 9.106 -6.833 7.110 1.00 62.14 H new ATOM 0 HB3 GLU A 60 8.282 -5.309 7.378 1.00 62.14 H new ATOM 0 HG2 GLU A 60 6.109 -6.347 6.932 1.00 12.14 H new ATOM 0 HG3 GLU A 60 6.879 -7.858 6.492 1.00 12.14 H new ATOM 905 N PRO A 61 10.859 -5.484 5.236 1.00 54.20 N ATOM 906 CA PRO A 61 12.060 -4.701 4.923 1.00 71.42 C ATOM 907 C PRO A 61 12.118 -4.301 3.445 1.00 51.12 C ATOM 908 O PRO A 61 12.506 -3.178 3.127 1.00 74.34 O ATOM 909 CB PRO A 61 13.232 -5.624 5.296 1.00 34.04 C ATOM 910 CG PRO A 61 12.646 -6.990 5.384 1.00 72.12 C ATOM 911 CD PRO A 61 11.204 -6.812 5.778 1.00 32.21 C ATOM 0 HA PRO A 61 12.080 -3.759 5.472 1.00 71.42 H new ATOM 0 HB2 PRO A 61 14.020 -5.582 4.544 1.00 34.04 H new ATOM 0 HB3 PRO A 61 13.680 -5.327 6.244 1.00 34.04 H new ATOM 0 HG2 PRO A 61 12.726 -7.509 4.429 1.00 72.12 H new ATOM 0 HG3 PRO A 61 13.178 -7.593 6.120 1.00 72.12 H new ATOM 0 HD2 PRO A 61 10.573 -7.594 5.355 1.00 32.21 H new ATOM 0 HD3 PRO A 61 11.076 -6.849 6.860 1.00 32.21 H new ATOM 919 N GLN A 62 11.740 -5.212 2.538 1.00 15.32 N ATOM 920 CA GLN A 62 11.692 -4.873 1.112 1.00 33.43 C ATOM 921 C GLN A 62 10.753 -3.693 0.840 1.00 52.35 C ATOM 922 O GLN A 62 11.057 -2.834 0.009 1.00 21.31 O ATOM 923 CB GLN A 62 11.279 -6.079 0.266 1.00 31.21 C ATOM 924 CG GLN A 62 12.291 -7.214 0.309 1.00 52.12 C ATOM 925 CD GLN A 62 12.109 -8.214 -0.820 1.00 63.34 C ATOM 926 OE1 GLN A 62 12.665 -8.049 -1.912 1.00 54.00 O ATOM 927 NE2 GLN A 62 11.345 -9.261 -0.566 1.00 32.24 N ATOM 0 H GLN A 62 11.468 -6.170 2.761 1.00 15.32 H new ATOM 0 HA GLN A 62 12.701 -4.577 0.825 1.00 33.43 H new ATOM 0 HB2 GLN A 62 10.314 -6.447 0.616 1.00 31.21 H new ATOM 0 HB3 GLN A 62 11.143 -5.761 -0.768 1.00 31.21 H new ATOM 0 HG2 GLN A 62 13.297 -6.798 0.260 1.00 52.12 H new ATOM 0 HG3 GLN A 62 12.207 -7.733 1.264 1.00 52.12 H new ATOM 0 HE21 GLN A 62 10.904 -9.361 0.348 1.00 32.24 H new ATOM 0 HE22 GLN A 62 11.196 -9.970 -1.284 1.00 32.24 H new ATOM 936 N LEU A 63 9.620 -3.650 1.538 1.00 40.43 N ATOM 937 CA LEU A 63 8.664 -2.555 1.385 1.00 53.33 C ATOM 938 C LEU A 63 9.257 -1.264 1.937 1.00 70.30 C ATOM 939 O LEU A 63 9.106 -0.197 1.344 1.00 53.52 O ATOM 940 CB LEU A 63 7.337 -2.881 2.088 1.00 3.23 C ATOM 941 CG LEU A 63 6.540 -4.052 1.486 1.00 61.04 C ATOM 942 CD1 LEU A 63 5.253 -4.295 2.276 1.00 33.23 C ATOM 943 CD2 LEU A 63 6.230 -3.797 0.010 1.00 3.25 C ATOM 0 H LEU A 63 9.341 -4.360 2.215 1.00 40.43 H new ATOM 0 HA LEU A 63 8.458 -2.424 0.323 1.00 53.33 H new ATOM 0 HB2 LEU A 63 7.545 -3.106 3.134 1.00 3.23 H new ATOM 0 HB3 LEU A 63 6.709 -1.990 2.072 1.00 3.23 H new ATOM 0 HG LEU A 63 7.155 -4.950 1.553 1.00 61.04 H new ATOM 0 HD11 LEU A 63 4.706 -5.127 1.833 1.00 33.23 H new ATOM 0 HD12 LEU A 63 5.501 -4.533 3.310 1.00 33.23 H new ATOM 0 HD13 LEU A 63 4.634 -3.398 2.248 1.00 33.23 H new ATOM 0 HD21 LEU A 63 5.666 -4.638 -0.394 1.00 3.25 H new ATOM 0 HD22 LEU A 63 5.640 -2.885 -0.086 1.00 3.25 H new ATOM 0 HD23 LEU A 63 7.162 -3.686 -0.544 1.00 3.25 H new ATOM 955 N GLU A 64 9.932 -1.376 3.076 1.00 24.03 N ATOM 956 CA GLU A 64 10.656 -0.249 3.662 1.00 4.24 C ATOM 957 C GLU A 64 11.721 0.264 2.691 1.00 64.23 C ATOM 958 O GLU A 64 11.896 1.470 2.528 1.00 11.32 O ATOM 959 CB GLU A 64 11.295 -0.674 4.991 1.00 20.52 C ATOM 960 CG GLU A 64 10.311 -0.743 6.162 1.00 65.33 C ATOM 961 CD GLU A 64 10.183 0.581 6.910 1.00 73.51 C ATOM 962 OE1 GLU A 64 11.124 1.398 6.857 1.00 4.54 O ATOM 963 OE2 GLU A 64 9.153 0.800 7.579 1.00 50.13 O ATOM 0 H GLU A 64 9.994 -2.239 3.615 1.00 24.03 H new ATOM 0 HA GLU A 64 9.953 0.562 3.855 1.00 4.24 H new ATOM 0 HB2 GLU A 64 11.760 -1.652 4.862 1.00 20.52 H new ATOM 0 HB3 GLU A 64 12.091 0.027 5.240 1.00 20.52 H new ATOM 0 HG2 GLU A 64 9.331 -1.040 5.789 1.00 65.33 H new ATOM 0 HG3 GLU A 64 10.635 -1.517 6.857 1.00 65.33 H new ATOM 970 N LYS A 65 12.409 -0.667 2.033 1.00 34.14 N ATOM 971 CA LYS A 65 13.434 -0.329 1.049 1.00 13.52 C ATOM 972 C LYS A 65 12.826 0.475 -0.094 1.00 23.13 C ATOM 973 O LYS A 65 13.246 1.608 -0.383 1.00 63.23 O ATOM 974 CB LYS A 65 14.063 -1.611 0.481 1.00 55.12 C ATOM 975 CG LYS A 65 15.096 -1.360 -0.618 1.00 54.14 C ATOM 976 CD LYS A 65 16.450 -0.894 -0.066 1.00 44.55 C ATOM 977 CE LYS A 65 17.244 -2.027 0.589 1.00 32.51 C ATOM 978 NZ LYS A 65 16.576 -2.577 1.800 1.00 14.13 N ATOM 0 H LYS A 65 12.273 -1.669 2.166 1.00 34.14 H new ATOM 0 HA LYS A 65 14.201 0.268 1.543 1.00 13.52 H new ATOM 0 HB2 LYS A 65 14.538 -2.162 1.293 1.00 55.12 H new ATOM 0 HB3 LYS A 65 13.272 -2.247 0.084 1.00 55.12 H new ATOM 0 HG2 LYS A 65 15.239 -2.275 -1.192 1.00 54.14 H new ATOM 0 HG3 LYS A 65 14.711 -0.608 -1.307 1.00 54.14 H new ATOM 0 HD2 LYS A 65 17.039 -0.464 -0.876 1.00 44.55 H new ATOM 0 HD3 LYS A 65 16.286 -0.101 0.664 1.00 44.55 H new ATOM 0 HE2 LYS A 65 17.389 -2.828 -0.135 1.00 32.51 H new ATOM 0 HE3 LYS A 65 18.234 -1.660 0.861 1.00 32.51 H new ATOM 0 HZ1 LYS A 65 17.290 -2.989 2.434 1.00 14.13 H new ATOM 0 HZ2 LYS A 65 16.073 -1.814 2.296 1.00 14.13 H new ATOM 0 HZ3 LYS A 65 15.897 -3.313 1.518 1.00 14.13 H new ATOM 992 N LEU A 66 11.819 -0.111 -0.733 1.00 14.23 N ATOM 993 CA LEU A 66 11.180 0.515 -1.875 1.00 51.24 C ATOM 994 C LEU A 66 10.512 1.818 -1.456 1.00 72.31 C ATOM 995 O LEU A 66 10.393 2.747 -2.250 1.00 51.15 O ATOM 996 CB LEU A 66 10.159 -0.430 -2.526 1.00 43.23 C ATOM 997 CG LEU A 66 10.730 -1.745 -3.080 1.00 40.43 C ATOM 998 CD1 LEU A 66 9.699 -2.446 -3.959 1.00 65.52 C ATOM 999 CD2 LEU A 66 12.030 -1.505 -3.847 1.00 72.04 C ATOM 0 H LEU A 66 11.431 -1.019 -0.476 1.00 14.23 H new ATOM 0 HA LEU A 66 11.949 0.737 -2.615 1.00 51.24 H new ATOM 0 HB2 LEU A 66 9.392 -0.670 -1.790 1.00 43.23 H new ATOM 0 HB3 LEU A 66 9.665 0.102 -3.339 1.00 43.23 H new ATOM 0 HG LEU A 66 10.961 -2.395 -2.236 1.00 40.43 H new ATOM 0 HD11 LEU A 66 10.120 -3.375 -4.343 1.00 65.52 H new ATOM 0 HD12 LEU A 66 8.809 -2.667 -3.370 1.00 65.52 H new ATOM 0 HD13 LEU A 66 9.431 -1.797 -4.793 1.00 65.52 H new ATOM 0 HD21 LEU A 66 12.409 -2.454 -4.226 1.00 72.04 H new ATOM 0 HD22 LEU A 66 11.841 -0.830 -4.682 1.00 72.04 H new ATOM 0 HD23 LEU A 66 12.769 -1.060 -3.181 1.00 72.04 H new ATOM 1011 N ALA A 67 10.092 1.882 -0.195 1.00 22.04 N ATOM 1012 CA ALA A 67 9.522 3.100 0.360 1.00 44.12 C ATOM 1013 C ALA A 67 10.579 4.193 0.402 1.00 61.24 C ATOM 1014 O ALA A 67 10.367 5.291 -0.094 1.00 53.03 O ATOM 1015 CB ALA A 67 8.965 2.850 1.757 1.00 31.52 C ATOM 0 H ALA A 67 10.137 1.102 0.460 1.00 22.04 H new ATOM 0 HA ALA A 67 8.701 3.422 -0.280 1.00 44.12 H new ATOM 0 HB1 ALA A 67 8.544 3.775 2.152 1.00 31.52 H new ATOM 0 HB2 ALA A 67 8.186 2.089 1.707 1.00 31.52 H new ATOM 0 HB3 ALA A 67 9.766 2.507 2.412 1.00 31.52 H new ATOM 1021 N GLN A 68 11.738 3.863 0.966 1.00 34.10 N ATOM 1022 CA GLN A 68 12.836 4.822 1.103 1.00 2.54 C ATOM 1023 C GLN A 68 13.285 5.343 -0.261 1.00 64.33 C ATOM 1024 O GLN A 68 13.561 6.533 -0.418 1.00 53.52 O ATOM 1025 CB GLN A 68 14.027 4.187 1.839 1.00 44.21 C ATOM 1026 CG GLN A 68 13.727 3.828 3.290 1.00 40.32 C ATOM 1027 CD GLN A 68 14.943 3.328 4.053 1.00 74.51 C ATOM 1028 OE1 GLN A 68 15.860 2.739 3.481 1.00 33.44 O ATOM 1029 NE2 GLN A 68 14.954 3.553 5.358 1.00 24.34 N ATOM 0 H GLN A 68 11.944 2.936 1.338 1.00 34.10 H new ATOM 0 HA GLN A 68 12.467 5.663 1.690 1.00 2.54 H new ATOM 0 HB2 GLN A 68 14.334 3.287 1.307 1.00 44.21 H new ATOM 0 HB3 GLN A 68 14.870 4.877 1.811 1.00 44.21 H new ATOM 0 HG2 GLN A 68 13.324 4.705 3.797 1.00 40.32 H new ATOM 0 HG3 GLN A 68 12.952 3.062 3.314 1.00 40.32 H new ATOM 0 HE21 GLN A 68 14.176 4.045 5.797 1.00 24.34 H new ATOM 0 HE22 GLN A 68 15.741 3.235 5.924 1.00 24.34 H new ATOM 1038 N GLN A 69 13.361 4.451 -1.245 1.00 44.02 N ATOM 1039 CA GLN A 69 13.786 4.838 -2.591 1.00 31.24 C ATOM 1040 C GLN A 69 12.683 5.611 -3.322 1.00 23.32 C ATOM 1041 O GLN A 69 12.894 6.735 -3.784 1.00 43.23 O ATOM 1042 CB GLN A 69 14.183 3.603 -3.412 1.00 41.41 C ATOM 1043 CG GLN A 69 14.734 3.942 -4.795 1.00 64.12 C ATOM 1044 CD GLN A 69 15.040 2.712 -5.628 1.00 53.22 C ATOM 1045 OE1 GLN A 69 14.191 2.225 -6.375 1.00 20.31 O ATOM 1046 NE2 GLN A 69 16.252 2.202 -5.510 1.00 3.12 N ATOM 0 H GLN A 69 13.136 3.462 -1.139 1.00 44.02 H new ATOM 0 HA GLN A 69 14.653 5.489 -2.485 1.00 31.24 H new ATOM 0 HB2 GLN A 69 14.932 3.035 -2.860 1.00 41.41 H new ATOM 0 HB3 GLN A 69 13.313 2.957 -3.525 1.00 41.41 H new ATOM 0 HG2 GLN A 69 14.012 4.563 -5.325 1.00 64.12 H new ATOM 0 HG3 GLN A 69 15.643 4.534 -4.683 1.00 64.12 H new ATOM 0 HE21 GLN A 69 16.928 2.634 -4.880 1.00 3.12 H new ATOM 0 HE22 GLN A 69 16.512 1.376 -6.049 1.00 3.12 H new ATOM 1055 N TYR A 70 11.506 5.005 -3.401 1.00 20.34 N ATOM 1056 CA TYR A 70 10.397 5.538 -4.196 1.00 60.50 C ATOM 1057 C TYR A 70 9.575 6.581 -3.430 1.00 43.30 C ATOM 1058 O TYR A 70 8.573 7.067 -3.946 1.00 33.23 O ATOM 1059 CB TYR A 70 9.473 4.411 -4.675 1.00 72.13 C ATOM 1060 CG TYR A 70 10.118 3.411 -5.621 1.00 21.25 C ATOM 1061 CD1 TYR A 70 10.609 3.804 -6.862 1.00 32.31 C ATOM 1062 CD2 TYR A 70 10.216 2.065 -5.280 1.00 40.14 C ATOM 1063 CE1 TYR A 70 11.176 2.888 -7.729 1.00 53.33 C ATOM 1064 CE2 TYR A 70 10.785 1.147 -6.140 1.00 60.12 C ATOM 1065 CZ TYR A 70 11.264 1.561 -7.362 1.00 43.20 C ATOM 1066 OH TYR A 70 11.826 0.645 -8.222 1.00 34.43 O ATOM 0 H TYR A 70 11.289 4.133 -2.919 1.00 20.34 H new ATOM 0 HA TYR A 70 10.847 6.031 -5.057 1.00 60.50 H new ATOM 0 HB2 TYR A 70 9.097 3.874 -3.804 1.00 72.13 H new ATOM 0 HB3 TYR A 70 8.611 4.855 -5.172 1.00 72.13 H new ATOM 0 HD1 TYR A 70 10.546 4.842 -7.153 1.00 32.31 H new ATOM 0 HD2 TYR A 70 9.840 1.732 -4.324 1.00 40.14 H new ATOM 0 HE1 TYR A 70 11.549 3.210 -8.690 1.00 53.33 H new ATOM 0 HE2 TYR A 70 10.854 0.108 -5.855 1.00 60.12 H new ATOM 0 HH TYR A 70 12.499 0.118 -7.744 1.00 34.43 H new ATOM 1076 N THR A 71 10.000 6.935 -2.219 1.00 33.23 N ATOM 1077 CA THR A 71 9.222 7.826 -1.338 1.00 22.12 C ATOM 1078 C THR A 71 8.836 9.130 -2.042 1.00 63.51 C ATOM 1079 O THR A 71 7.908 9.823 -1.618 1.00 34.25 O ATOM 1080 CB THR A 71 10.015 8.173 -0.049 1.00 12.15 C ATOM 1081 OG1 THR A 71 9.203 8.943 0.852 1.00 20.34 O ATOM 1082 CG2 THR A 71 11.290 8.947 -0.377 1.00 61.13 C ATOM 0 H THR A 71 10.883 6.620 -1.817 1.00 33.23 H new ATOM 0 HA THR A 71 8.314 7.282 -1.076 1.00 22.12 H new ATOM 0 HB THR A 71 10.291 7.234 0.430 1.00 12.15 H new ATOM 0 HG1 THR A 71 9.718 9.152 1.659 1.00 20.34 H new ATOM 0 HG21 THR A 71 11.824 9.176 0.545 1.00 61.13 H new ATOM 0 HG22 THR A 71 11.926 8.343 -1.024 1.00 61.13 H new ATOM 0 HG23 THR A 71 11.031 9.875 -0.886 1.00 61.13 H new ATOM 1090 N GLU A 72 9.550 9.453 -3.114 1.00 12.43 N ATOM 1091 CA GLU A 72 9.271 10.641 -3.909 1.00 31.41 C ATOM 1092 C GLU A 72 7.840 10.601 -4.453 1.00 51.14 C ATOM 1093 O GLU A 72 7.151 11.621 -4.491 1.00 2.10 O ATOM 1094 CB GLU A 72 10.276 10.730 -5.061 1.00 1.44 C ATOM 1095 CG GLU A 72 11.723 10.563 -4.613 1.00 30.20 C ATOM 1096 CD GLU A 72 12.698 10.523 -5.777 1.00 14.23 C ATOM 1097 OE1 GLU A 72 12.559 9.632 -6.640 1.00 50.40 O ATOM 1098 OE2 GLU A 72 13.620 11.368 -5.819 1.00 52.23 O ATOM 0 H GLU A 72 10.336 8.900 -3.455 1.00 12.43 H new ATOM 0 HA GLU A 72 9.368 11.523 -3.277 1.00 31.41 H new ATOM 0 HB2 GLU A 72 10.041 9.963 -5.799 1.00 1.44 H new ATOM 0 HB3 GLU A 72 10.165 11.694 -5.557 1.00 1.44 H new ATOM 0 HG2 GLU A 72 11.990 11.385 -3.949 1.00 30.20 H new ATOM 0 HG3 GLU A 72 11.816 9.643 -4.035 1.00 30.20 H new ATOM 1105 N ASN A 73 7.397 9.410 -4.860 1.00 61.11 N ATOM 1106 CA ASN A 73 6.056 9.232 -5.428 1.00 72.02 C ATOM 1107 C ASN A 73 5.358 8.002 -4.839 1.00 61.23 C ATOM 1108 O ASN A 73 4.328 7.581 -5.348 1.00 40.11 O ATOM 1109 CB ASN A 73 6.127 9.085 -6.962 1.00 35.23 C ATOM 1110 CG ASN A 73 6.682 10.315 -7.665 1.00 73.11 C ATOM 1111 OD1 ASN A 73 5.944 11.248 -7.996 1.00 31.35 O ATOM 1112 ND2 ASN A 73 7.983 10.319 -7.924 1.00 62.33 N ATOM 0 H ASN A 73 7.947 8.552 -4.807 1.00 61.11 H new ATOM 0 HA ASN A 73 5.479 10.121 -5.173 1.00 72.02 H new ATOM 0 HB2 ASN A 73 6.749 8.224 -7.208 1.00 35.23 H new ATOM 0 HB3 ASN A 73 5.128 8.877 -7.346 1.00 35.23 H new ATOM 0 HD21 ASN A 73 8.404 11.110 -8.411 1.00 62.33 H new ATOM 0 HD22 ASN A 73 8.563 9.531 -7.636 1.00 62.33 H new ATOM 1119 N VAL A 74 5.918 7.416 -3.781 1.00 45.54 N ATOM 1120 CA VAL A 74 5.339 6.213 -3.166 1.00 32.33 C ATOM 1121 C VAL A 74 5.161 6.361 -1.654 1.00 12.33 C ATOM 1122 O VAL A 74 5.995 6.953 -0.968 1.00 31.42 O ATOM 1123 CB VAL A 74 6.215 4.963 -3.461 1.00 43.12 C ATOM 1124 CG1 VAL A 74 5.862 3.784 -2.555 1.00 53.52 C ATOM 1125 CG2 VAL A 74 6.084 4.562 -4.927 1.00 53.24 C ATOM 0 H VAL A 74 6.770 7.751 -3.330 1.00 45.54 H new ATOM 0 HA VAL A 74 4.353 6.083 -3.612 1.00 32.33 H new ATOM 0 HB VAL A 74 7.250 5.234 -3.251 1.00 43.12 H new ATOM 0 HG11 VAL A 74 6.500 2.934 -2.798 1.00 53.52 H new ATOM 0 HG12 VAL A 74 6.016 4.067 -1.514 1.00 53.52 H new ATOM 0 HG13 VAL A 74 4.818 3.509 -2.706 1.00 53.52 H new ATOM 0 HG21 VAL A 74 6.702 3.685 -5.121 1.00 53.24 H new ATOM 0 HG22 VAL A 74 5.043 4.328 -5.149 1.00 53.24 H new ATOM 0 HG23 VAL A 74 6.413 5.386 -5.560 1.00 53.24 H new ATOM 1135 N LYS A 75 4.055 5.808 -1.156 1.00 54.01 N ATOM 1136 CA LYS A 75 3.764 5.746 0.276 1.00 54.23 C ATOM 1137 C LYS A 75 3.060 4.425 0.605 1.00 4.24 C ATOM 1138 O LYS A 75 1.993 4.141 0.062 1.00 32.23 O ATOM 1139 CB LYS A 75 2.871 6.931 0.694 1.00 22.32 C ATOM 1140 CG LYS A 75 3.629 8.206 1.072 1.00 23.51 C ATOM 1141 CD LYS A 75 4.273 8.091 2.456 1.00 4.10 C ATOM 1142 CE LYS A 75 4.906 9.409 2.904 1.00 72.13 C ATOM 1143 NZ LYS A 75 5.407 9.343 4.306 1.00 43.32 N ATOM 0 H LYS A 75 3.331 5.388 -1.739 1.00 54.01 H new ATOM 0 HA LYS A 75 4.703 5.803 0.827 1.00 54.23 H new ATOM 0 HB2 LYS A 75 2.189 7.160 -0.125 1.00 22.32 H new ATOM 0 HB3 LYS A 75 2.259 6.625 1.542 1.00 22.32 H new ATOM 0 HG2 LYS A 75 4.399 8.406 0.327 1.00 23.51 H new ATOM 0 HG3 LYS A 75 2.945 9.054 1.058 1.00 23.51 H new ATOM 0 HD2 LYS A 75 3.520 7.785 3.182 1.00 4.10 H new ATOM 0 HD3 LYS A 75 5.034 7.311 2.438 1.00 4.10 H new ATOM 0 HE2 LYS A 75 5.730 9.660 2.236 1.00 72.13 H new ATOM 0 HE3 LYS A 75 4.172 10.210 2.819 1.00 72.13 H new ATOM 0 HZ1 LYS A 75 5.903 10.227 4.540 1.00 43.32 H new ATOM 0 HZ2 LYS A 75 4.605 9.214 4.955 1.00 43.32 H new ATOM 0 HZ3 LYS A 75 6.063 8.542 4.403 1.00 43.32 H new ATOM 1157 N ILE A 76 3.659 3.606 1.473 1.00 61.30 N ATOM 1158 CA ILE A 76 3.013 2.368 1.916 1.00 72.35 C ATOM 1159 C ILE A 76 2.356 2.591 3.275 1.00 43.11 C ATOM 1160 O ILE A 76 2.941 3.220 4.162 1.00 50.32 O ATOM 1161 CB ILE A 76 3.988 1.156 2.026 1.00 74.31 C ATOM 1162 CG1 ILE A 76 4.677 0.856 0.680 1.00 61.45 C ATOM 1163 CG2 ILE A 76 3.249 -0.087 2.523 1.00 22.35 C ATOM 1164 CD1 ILE A 76 5.780 1.826 0.317 1.00 53.10 C ATOM 0 H ILE A 76 4.579 3.774 1.879 1.00 61.30 H new ATOM 0 HA ILE A 76 2.276 2.120 1.152 1.00 72.35 H new ATOM 0 HB ILE A 76 4.760 1.425 2.748 1.00 74.31 H new ATOM 0 HG12 ILE A 76 5.091 -0.152 0.714 1.00 61.45 H new ATOM 0 HG13 ILE A 76 3.926 0.866 -0.110 1.00 61.45 H new ATOM 0 HG21 ILE A 76 3.947 -0.921 2.593 1.00 22.35 H new ATOM 0 HG22 ILE A 76 2.822 0.112 3.506 1.00 22.35 H new ATOM 0 HG23 ILE A 76 2.451 -0.339 1.825 1.00 22.35 H new ATOM 0 HD11 ILE A 76 6.212 1.543 -0.643 1.00 53.10 H new ATOM 0 HD12 ILE A 76 5.370 2.834 0.248 1.00 53.10 H new ATOM 0 HD13 ILE A 76 6.554 1.801 1.084 1.00 53.10 H new ATOM 1176 N TYR A 77 1.140 2.078 3.422 1.00 20.43 N ATOM 1177 CA TYR A 77 0.392 2.177 4.665 1.00 13.44 C ATOM 1178 C TYR A 77 -0.012 0.788 5.139 1.00 5.23 C ATOM 1179 O TYR A 77 0.047 -0.176 4.376 1.00 40.03 O ATOM 1180 CB TYR A 77 -0.854 3.050 4.471 1.00 72.20 C ATOM 1181 CG TYR A 77 -0.545 4.520 4.258 1.00 3.50 C ATOM 1182 CD1 TYR A 77 -0.180 5.006 3.008 1.00 71.42 C ATOM 1183 CD2 TYR A 77 -0.614 5.419 5.312 1.00 24.32 C ATOM 1184 CE1 TYR A 77 0.107 6.345 2.820 1.00 3.43 C ATOM 1185 CE2 TYR A 77 -0.331 6.754 5.131 1.00 33.24 C ATOM 1186 CZ TYR A 77 0.030 7.214 3.886 1.00 31.41 C ATOM 1187 OH TYR A 77 0.320 8.549 3.710 1.00 4.31 O ATOM 0 H TYR A 77 0.646 1.581 2.680 1.00 20.43 H new ATOM 0 HA TYR A 77 1.027 2.641 5.420 1.00 13.44 H new ATOM 0 HB2 TYR A 77 -1.416 2.679 3.614 1.00 72.20 H new ATOM 0 HB3 TYR A 77 -1.498 2.947 5.344 1.00 72.20 H new ATOM 0 HD1 TYR A 77 -0.120 4.327 2.170 1.00 71.42 H new ATOM 0 HD2 TYR A 77 -0.895 5.065 6.293 1.00 24.32 H new ATOM 0 HE1 TYR A 77 0.390 6.708 1.843 1.00 3.43 H new ATOM 0 HE2 TYR A 77 -0.392 7.438 5.964 1.00 33.24 H new ATOM 0 HH TYR A 77 0.742 8.902 4.521 1.00 4.31 H new ATOM 1197 N LYS A 78 -0.413 0.698 6.399 1.00 55.01 N ATOM 1198 CA LYS A 78 -0.885 -0.554 6.979 1.00 21.42 C ATOM 1199 C LYS A 78 -1.847 -0.258 8.122 1.00 53.24 C ATOM 1200 O LYS A 78 -1.565 0.591 8.970 1.00 31.32 O ATOM 1201 CB LYS A 78 0.299 -1.399 7.485 1.00 42.22 C ATOM 1202 CG LYS A 78 -0.114 -2.683 8.213 1.00 44.42 C ATOM 1203 CD LYS A 78 1.095 -3.445 8.762 1.00 41.33 C ATOM 1204 CE LYS A 78 1.916 -4.105 7.656 1.00 41.11 C ATOM 1205 NZ LYS A 78 1.238 -5.305 7.095 1.00 74.32 N ATOM 0 H LYS A 78 -0.421 1.486 7.047 1.00 55.01 H new ATOM 0 HA LYS A 78 -1.406 -1.124 6.209 1.00 21.42 H new ATOM 0 HB2 LYS A 78 0.932 -1.662 6.638 1.00 42.22 H new ATOM 0 HB3 LYS A 78 0.904 -0.791 8.158 1.00 42.22 H new ATOM 0 HG2 LYS A 78 -0.788 -2.434 9.032 1.00 44.42 H new ATOM 0 HG3 LYS A 78 -0.667 -3.326 7.529 1.00 44.42 H new ATOM 0 HD2 LYS A 78 1.730 -2.759 9.322 1.00 41.33 H new ATOM 0 HD3 LYS A 78 0.754 -4.207 9.462 1.00 41.33 H new ATOM 0 HE2 LYS A 78 2.094 -3.384 6.858 1.00 41.11 H new ATOM 0 HE3 LYS A 78 2.891 -4.391 8.051 1.00 41.11 H new ATOM 0 HZ1 LYS A 78 1.678 -5.560 6.188 1.00 74.32 H new ATOM 0 HZ2 LYS A 78 1.331 -6.099 7.760 1.00 74.32 H new ATOM 0 HZ3 LYS A 78 0.231 -5.096 6.944 1.00 74.32 H new ATOM 1219 N ILE A 79 -2.986 -0.940 8.127 1.00 34.53 N ATOM 1220 CA ILE A 79 -3.959 -0.792 9.201 1.00 1.23 C ATOM 1221 C ILE A 79 -3.473 -1.528 10.447 1.00 21.50 C ATOM 1222 O ILE A 79 -3.263 -2.741 10.414 1.00 53.31 O ATOM 1223 CB ILE A 79 -5.356 -1.327 8.785 1.00 52.03 C ATOM 1224 CG1 ILE A 79 -5.867 -0.578 7.540 1.00 24.12 C ATOM 1225 CG2 ILE A 79 -6.347 -1.196 9.942 1.00 31.44 C ATOM 1226 CD1 ILE A 79 -7.218 -1.057 7.040 1.00 34.04 C ATOM 0 H ILE A 79 -3.258 -1.601 7.399 1.00 34.53 H new ATOM 0 HA ILE A 79 -4.058 0.272 9.418 1.00 1.23 H new ATOM 0 HB ILE A 79 -5.264 -2.384 8.536 1.00 52.03 H new ATOM 0 HG12 ILE A 79 -5.933 0.485 7.770 1.00 24.12 H new ATOM 0 HG13 ILE A 79 -5.136 -0.686 6.739 1.00 24.12 H new ATOM 0 HG21 ILE A 79 -7.321 -1.576 9.632 1.00 31.44 H new ATOM 0 HG22 ILE A 79 -5.988 -1.771 10.795 1.00 31.44 H new ATOM 0 HG23 ILE A 79 -6.440 -0.147 10.225 1.00 31.44 H new ATOM 0 HD11 ILE A 79 -7.507 -0.480 6.162 1.00 34.04 H new ATOM 0 HD12 ILE A 79 -7.155 -2.113 6.776 1.00 34.04 H new ATOM 0 HD13 ILE A 79 -7.964 -0.923 7.823 1.00 34.04 H new ATOM 1238 N ASN A 80 -3.264 -0.785 11.531 1.00 24.35 N ATOM 1239 CA ASN A 80 -2.768 -1.364 12.783 1.00 3.33 C ATOM 1240 C ASN A 80 -3.915 -1.787 13.692 1.00 71.52 C ATOM 1241 O ASN A 80 -3.858 -2.838 14.332 1.00 23.23 O ATOM 1242 CB ASN A 80 -1.872 -0.364 13.524 1.00 35.51 C ATOM 1243 CG ASN A 80 -2.610 0.898 13.953 1.00 41.32 C ATOM 1244 OD1 ASN A 80 -2.709 1.861 13.195 1.00 11.02 O ATOM 1245 ND2 ASN A 80 -3.124 0.906 15.174 1.00 74.35 N ATOM 0 H ASN A 80 -3.430 0.221 11.571 1.00 24.35 H new ATOM 0 HA ASN A 80 -2.185 -2.248 12.524 1.00 3.33 H new ATOM 0 HB2 ASN A 80 -1.450 -0.848 14.405 1.00 35.51 H new ATOM 0 HB3 ASN A 80 -1.037 -0.088 12.880 1.00 35.51 H new ATOM 0 HD21 ASN A 80 -3.621 1.730 15.513 1.00 74.35 H new ATOM 0 HD22 ASN A 80 -3.022 0.088 15.775 1.00 74.35 H new ATOM 1252 N ILE A 81 -4.956 -0.966 13.747 1.00 30.30 N ATOM 1253 CA ILE A 81 -6.059 -1.200 14.665 1.00 71.14 C ATOM 1254 C ILE A 81 -7.062 -2.192 14.074 1.00 63.21 C ATOM 1255 O ILE A 81 -7.908 -1.844 13.248 1.00 12.12 O ATOM 1256 CB ILE A 81 -6.755 0.131 15.068 1.00 0.52 C ATOM 1257 CG1 ILE A 81 -7.930 -0.140 16.024 1.00 42.53 C ATOM 1258 CG2 ILE A 81 -7.212 0.915 13.835 1.00 33.51 C ATOM 1259 CD1 ILE A 81 -8.588 1.114 16.561 1.00 3.15 C ATOM 0 H ILE A 81 -5.058 -0.133 13.167 1.00 30.30 H new ATOM 0 HA ILE A 81 -5.647 -1.641 15.573 1.00 71.14 H new ATOM 0 HB ILE A 81 -6.026 0.748 15.594 1.00 0.52 H new ATOM 0 HG12 ILE A 81 -8.679 -0.737 15.503 1.00 42.53 H new ATOM 0 HG13 ILE A 81 -7.573 -0.738 16.862 1.00 42.53 H new ATOM 0 HG21 ILE A 81 -7.695 1.840 14.150 1.00 33.51 H new ATOM 0 HG22 ILE A 81 -6.349 1.150 13.213 1.00 33.51 H new ATOM 0 HG23 ILE A 81 -7.919 0.314 13.263 1.00 33.51 H new ATOM 0 HD11 ILE A 81 -9.406 0.839 17.227 1.00 3.15 H new ATOM 0 HD12 ILE A 81 -7.854 1.703 17.112 1.00 3.15 H new ATOM 0 HD13 ILE A 81 -8.978 1.704 15.732 1.00 3.15 H new ATOM 1271 N GLU A 82 -6.946 -3.442 14.502 1.00 2.23 N ATOM 1272 CA GLU A 82 -7.838 -4.510 14.060 1.00 32.22 C ATOM 1273 C GLU A 82 -9.290 -4.247 14.483 1.00 24.40 C ATOM 1274 O GLU A 82 -10.213 -4.858 13.946 1.00 62.02 O ATOM 1275 CB GLU A 82 -7.343 -5.894 14.532 1.00 24.15 C ATOM 1276 CG GLU A 82 -6.566 -5.887 15.844 1.00 73.31 C ATOM 1277 CD GLU A 82 -7.379 -5.388 17.021 1.00 30.14 C ATOM 1278 OE1 GLU A 82 -8.057 -6.210 17.673 1.00 52.23 O ATOM 1279 OE2 GLU A 82 -7.336 -4.175 17.303 1.00 3.40 O ATOM 0 H GLU A 82 -6.232 -3.746 15.165 1.00 2.23 H new ATOM 0 HA GLU A 82 -7.820 -4.518 12.970 1.00 32.22 H new ATOM 0 HB2 GLU A 82 -8.204 -6.554 14.640 1.00 24.15 H new ATOM 0 HB3 GLU A 82 -6.710 -6.321 13.754 1.00 24.15 H new ATOM 0 HG2 GLU A 82 -6.216 -6.897 16.056 1.00 73.31 H new ATOM 0 HG3 GLU A 82 -5.682 -5.260 15.731 1.00 73.31 H new ATOM 1286 N ASP A 83 -9.490 -3.347 15.452 1.00 44.54 N ATOM 1287 CA ASP A 83 -10.844 -2.951 15.860 1.00 63.21 C ATOM 1288 C ASP A 83 -11.490 -2.125 14.753 1.00 74.31 C ATOM 1289 O ASP A 83 -12.714 -2.102 14.609 1.00 25.01 O ATOM 1290 CB ASP A 83 -10.829 -2.104 17.147 1.00 50.22 C ATOM 1291 CG ASP A 83 -10.311 -2.839 18.372 1.00 22.43 C ATOM 1292 OD1 ASP A 83 -10.985 -3.785 18.835 1.00 1.20 O ATOM 1293 OD2 ASP A 83 -9.250 -2.451 18.906 1.00 34.43 O ATOM 0 H ASP A 83 -8.740 -2.883 15.964 1.00 44.54 H new ATOM 0 HA ASP A 83 -11.409 -3.864 16.047 1.00 63.21 H new ATOM 0 HB2 ASP A 83 -10.213 -1.221 16.980 1.00 50.22 H new ATOM 0 HB3 ASP A 83 -11.841 -1.753 17.349 1.00 50.22 H new ATOM 1298 N ASN A 84 -10.653 -1.455 13.964 1.00 12.14 N ATOM 1299 CA ASN A 84 -11.121 -0.623 12.861 1.00 41.24 C ATOM 1300 C ASN A 84 -10.394 -1.006 11.578 1.00 75.34 C ATOM 1301 O ASN A 84 -9.356 -0.432 11.241 1.00 0.51 O ATOM 1302 CB ASN A 84 -10.920 0.870 13.173 1.00 64.53 C ATOM 1303 CG ASN A 84 -11.884 1.392 14.224 1.00 52.44 C ATOM 1304 OD1 ASN A 84 -11.603 1.348 15.422 1.00 1.53 O ATOM 1305 ND2 ASN A 84 -13.027 1.896 13.782 1.00 33.45 N ATOM 0 H ASN A 84 -9.639 -1.474 14.071 1.00 12.14 H new ATOM 0 HA ASN A 84 -12.189 -0.794 12.727 1.00 41.24 H new ATOM 0 HB2 ASN A 84 -9.897 1.030 13.515 1.00 64.53 H new ATOM 0 HB3 ASN A 84 -11.043 1.447 12.256 1.00 64.53 H new ATOM 0 HD21 ASN A 84 -13.711 2.265 14.443 1.00 33.45 H new ATOM 0 HD22 ASN A 84 -13.223 1.915 12.781 1.00 33.45 H new ATOM 1312 N GLN A 85 -10.937 -1.997 10.882 1.00 2.22 N ATOM 1313 CA GLN A 85 -10.374 -2.479 9.620 1.00 12.33 C ATOM 1314 C GLN A 85 -11.504 -2.745 8.626 1.00 45.23 C ATOM 1315 O GLN A 85 -11.370 -3.553 7.705 1.00 21.41 O ATOM 1316 CB GLN A 85 -9.555 -3.758 9.864 1.00 22.22 C ATOM 1317 CG GLN A 85 -10.341 -4.876 10.548 1.00 65.05 C ATOM 1318 CD GLN A 85 -9.522 -6.139 10.781 1.00 64.31 C ATOM 1319 OE1 GLN A 85 -9.738 -6.858 11.758 1.00 34.15 O ATOM 1320 NE2 GLN A 85 -8.586 -6.429 9.886 1.00 1.30 N ATOM 0 H GLN A 85 -11.780 -2.491 11.174 1.00 2.22 H new ATOM 0 HA GLN A 85 -9.710 -1.721 9.204 1.00 12.33 H new ATOM 0 HB2 GLN A 85 -9.178 -4.124 8.909 1.00 22.22 H new ATOM 0 HB3 GLN A 85 -8.687 -3.511 10.475 1.00 22.22 H new ATOM 0 HG2 GLN A 85 -10.715 -4.513 11.505 1.00 65.05 H new ATOM 0 HG3 GLN A 85 -11.210 -5.123 9.939 1.00 65.05 H new ATOM 0 HE21 GLN A 85 -8.434 -5.811 9.089 1.00 1.30 H new ATOM 0 HE22 GLN A 85 -8.019 -7.270 9.995 1.00 1.30 H new ATOM 1329 N ASP A 86 -12.597 -2.006 8.800 1.00 41.40 N ATOM 1330 CA ASP A 86 -13.837 -2.231 8.053 1.00 63.32 C ATOM 1331 C ASP A 86 -13.608 -2.161 6.542 1.00 65.35 C ATOM 1332 O ASP A 86 -14.217 -2.916 5.780 1.00 40.52 O ATOM 1333 CB ASP A 86 -14.894 -1.203 8.481 1.00 60.23 C ATOM 1334 CG ASP A 86 -16.218 -1.382 7.758 1.00 43.31 C ATOM 1335 OD1 ASP A 86 -16.934 -2.362 8.061 1.00 54.22 O ATOM 1336 OD2 ASP A 86 -16.557 -0.536 6.902 1.00 51.51 O ATOM 0 H ASP A 86 -12.650 -1.233 9.463 1.00 41.40 H new ATOM 0 HA ASP A 86 -14.193 -3.235 8.283 1.00 63.32 H new ATOM 0 HB2 ASP A 86 -15.058 -1.284 9.555 1.00 60.23 H new ATOM 0 HB3 ASP A 86 -14.515 -0.199 8.291 1.00 60.23 H new ATOM 1341 N VAL A 87 -12.703 -1.276 6.124 1.00 44.33 N ATOM 1342 CA VAL A 87 -12.365 -1.114 4.707 1.00 14.04 C ATOM 1343 C VAL A 87 -11.998 -2.464 4.086 1.00 20.53 C ATOM 1344 O VAL A 87 -12.342 -2.751 2.933 1.00 33.05 O ATOM 1345 CB VAL A 87 -11.178 -0.125 4.515 1.00 73.54 C ATOM 1346 CG1 VAL A 87 -10.809 0.019 3.038 1.00 72.35 C ATOM 1347 CG2 VAL A 87 -11.499 1.241 5.124 1.00 25.21 C ATOM 0 H VAL A 87 -12.188 -0.657 6.749 1.00 44.33 H new ATOM 0 HA VAL A 87 -13.244 -0.707 4.208 1.00 14.04 H new ATOM 0 HB VAL A 87 -10.317 -0.540 5.039 1.00 73.54 H new ATOM 0 HG11 VAL A 87 -9.977 0.716 2.937 1.00 72.35 H new ATOM 0 HG12 VAL A 87 -10.518 -0.953 2.639 1.00 72.35 H new ATOM 0 HG13 VAL A 87 -11.668 0.397 2.483 1.00 72.35 H new ATOM 0 HG21 VAL A 87 -10.654 1.913 4.976 1.00 25.21 H new ATOM 0 HG22 VAL A 87 -12.382 1.657 4.639 1.00 25.21 H new ATOM 0 HG23 VAL A 87 -11.690 1.128 6.191 1.00 25.21 H new ATOM 1357 N ALA A 88 -11.338 -3.305 4.873 1.00 53.54 N ATOM 1358 CA ALA A 88 -10.940 -4.631 4.418 1.00 43.03 C ATOM 1359 C ALA A 88 -12.168 -5.481 4.111 1.00 4.00 C ATOM 1360 O ALA A 88 -12.269 -6.072 3.037 1.00 4.34 O ATOM 1361 CB ALA A 88 -10.062 -5.311 5.460 1.00 65.34 C ATOM 0 H ALA A 88 -11.066 -3.091 5.833 1.00 53.54 H new ATOM 0 HA ALA A 88 -10.361 -4.522 3.501 1.00 43.03 H new ATOM 0 HB1 ALA A 88 -9.774 -6.300 5.104 1.00 65.34 H new ATOM 0 HB2 ALA A 88 -9.167 -4.712 5.629 1.00 65.34 H new ATOM 0 HB3 ALA A 88 -10.615 -5.409 6.394 1.00 65.34 H new ATOM 1367 N THR A 89 -13.109 -5.517 5.053 1.00 10.42 N ATOM 1368 CA THR A 89 -14.339 -6.285 4.891 1.00 52.55 C ATOM 1369 C THR A 89 -15.117 -5.798 3.668 1.00 55.10 C ATOM 1370 O THR A 89 -15.703 -6.589 2.925 1.00 4.51 O ATOM 1371 CB THR A 89 -15.232 -6.164 6.148 1.00 72.40 C ATOM 1372 OG1 THR A 89 -14.447 -6.397 7.328 1.00 74.13 O ATOM 1373 CG2 THR A 89 -16.390 -7.160 6.106 1.00 11.52 C ATOM 0 H THR A 89 -13.041 -5.020 5.941 1.00 10.42 H new ATOM 0 HA THR A 89 -14.064 -7.330 4.751 1.00 52.55 H new ATOM 0 HB THR A 89 -15.646 -5.156 6.169 1.00 72.40 H new ATOM 0 HG1 THR A 89 -15.017 -6.317 8.121 1.00 74.13 H new ATOM 0 HG21 THR A 89 -16.998 -7.049 7.004 1.00 11.52 H new ATOM 0 HG22 THR A 89 -17.004 -6.968 5.226 1.00 11.52 H new ATOM 0 HG23 THR A 89 -15.995 -8.175 6.058 1.00 11.52 H new ATOM 1381 N GLN A 90 -15.095 -4.483 3.463 1.00 21.45 N ATOM 1382 CA GLN A 90 -15.800 -3.853 2.350 1.00 62.45 C ATOM 1383 C GLN A 90 -15.214 -4.303 1.012 1.00 22.22 C ATOM 1384 O GLN A 90 -15.949 -4.688 0.102 1.00 72.12 O ATOM 1385 CB GLN A 90 -15.727 -2.324 2.480 1.00 70.21 C ATOM 1386 CG GLN A 90 -16.283 -1.797 3.801 1.00 1.00 C ATOM 1387 CD GLN A 90 -17.797 -1.895 3.912 1.00 10.22 C ATOM 1388 OE1 GLN A 90 -18.438 -2.733 3.274 1.00 63.33 O ATOM 1389 NE2 GLN A 90 -18.375 -1.055 4.751 1.00 33.41 N ATOM 0 H GLN A 90 -14.591 -3.828 4.060 1.00 21.45 H new ATOM 0 HA GLN A 90 -16.845 -4.161 2.383 1.00 62.45 H new ATOM 0 HB2 GLN A 90 -14.689 -2.008 2.380 1.00 70.21 H new ATOM 0 HB3 GLN A 90 -16.278 -1.871 1.656 1.00 70.21 H new ATOM 0 HG2 GLN A 90 -15.831 -2.353 4.622 1.00 1.00 H new ATOM 0 HG3 GLN A 90 -15.986 -0.755 3.920 1.00 1.00 H new ATOM 0 HE21 GLN A 90 -17.811 -0.375 5.261 1.00 33.41 H new ATOM 0 HE22 GLN A 90 -19.385 -1.086 4.889 1.00 33.41 H new ATOM 1398 N TYR A 91 -13.889 -4.254 0.896 1.00 62.13 N ATOM 1399 CA TYR A 91 -13.209 -4.680 -0.329 1.00 65.23 C ATOM 1400 C TYR A 91 -13.150 -6.209 -0.426 1.00 3.41 C ATOM 1401 O TYR A 91 -12.940 -6.758 -1.512 1.00 73.01 O ATOM 1402 CB TYR A 91 -11.796 -4.077 -0.405 1.00 71.22 C ATOM 1403 CG TYR A 91 -11.780 -2.599 -0.781 1.00 72.44 C ATOM 1404 CD1 TYR A 91 -12.392 -1.647 0.029 1.00 22.12 C ATOM 1405 CD2 TYR A 91 -11.153 -2.158 -1.944 1.00 21.05 C ATOM 1406 CE1 TYR A 91 -12.382 -0.307 -0.306 1.00 63.11 C ATOM 1407 CE2 TYR A 91 -11.139 -0.815 -2.285 1.00 43.10 C ATOM 1408 CZ TYR A 91 -11.756 0.105 -1.462 1.00 23.02 C ATOM 1409 OH TYR A 91 -11.745 1.443 -1.796 1.00 33.11 O ATOM 0 H TYR A 91 -13.264 -3.925 1.632 1.00 62.13 H new ATOM 0 HA TYR A 91 -13.786 -4.312 -1.177 1.00 65.23 H new ATOM 0 HB2 TYR A 91 -11.304 -4.203 0.560 1.00 71.22 H new ATOM 0 HB3 TYR A 91 -11.211 -4.635 -1.136 1.00 71.22 H new ATOM 0 HD1 TYR A 91 -12.884 -1.962 0.937 1.00 22.12 H new ATOM 0 HD2 TYR A 91 -10.670 -2.875 -2.591 1.00 21.05 H new ATOM 0 HE1 TYR A 91 -12.863 0.416 0.336 1.00 63.11 H new ATOM 0 HE2 TYR A 91 -10.648 -0.490 -3.190 1.00 43.10 H new ATOM 0 HH TYR A 91 -11.262 1.566 -2.640 1.00 33.11 H new ATOM 1419 N GLY A 92 -13.346 -6.888 0.704 1.00 71.23 N ATOM 1420 CA GLY A 92 -13.370 -8.347 0.719 1.00 22.21 C ATOM 1421 C GLY A 92 -11.992 -8.960 0.912 1.00 62.11 C ATOM 1422 O GLY A 92 -11.679 -10.008 0.336 1.00 23.41 O ATOM 0 H GLY A 92 -13.490 -6.453 1.615 1.00 71.23 H new ATOM 0 HA2 GLY A 92 -14.028 -8.686 1.519 1.00 22.21 H new ATOM 0 HA3 GLY A 92 -13.795 -8.708 -0.218 1.00 22.21 H new ATOM 1426 N VAL A 93 -11.172 -8.313 1.728 1.00 64.12 N ATOM 1427 CA VAL A 93 -9.815 -8.778 2.005 1.00 71.31 C ATOM 1428 C VAL A 93 -9.790 -9.622 3.280 1.00 0.40 C ATOM 1429 O VAL A 93 -10.129 -9.135 4.358 1.00 42.42 O ATOM 1430 CB VAL A 93 -8.840 -7.586 2.157 1.00 32.41 C ATOM 1431 CG1 VAL A 93 -7.430 -8.078 2.483 1.00 53.12 C ATOM 1432 CG2 VAL A 93 -8.840 -6.721 0.894 1.00 35.14 C ATOM 0 H VAL A 93 -11.425 -7.454 2.216 1.00 64.12 H new ATOM 0 HA VAL A 93 -9.494 -9.388 1.161 1.00 71.31 H new ATOM 0 HB VAL A 93 -9.182 -6.969 2.988 1.00 32.41 H new ATOM 0 HG11 VAL A 93 -6.761 -7.224 2.585 1.00 53.12 H new ATOM 0 HG12 VAL A 93 -7.447 -8.639 3.417 1.00 53.12 H new ATOM 0 HG13 VAL A 93 -7.075 -8.723 1.679 1.00 53.12 H new ATOM 0 HG21 VAL A 93 -8.148 -5.889 1.023 1.00 35.14 H new ATOM 0 HG22 VAL A 93 -8.529 -7.323 0.041 1.00 35.14 H new ATOM 0 HG23 VAL A 93 -9.844 -6.334 0.718 1.00 35.14 H new ATOM 1442 N SER A 94 -9.410 -10.890 3.144 1.00 44.50 N ATOM 1443 CA SER A 94 -9.304 -11.795 4.288 1.00 75.23 C ATOM 1444 C SER A 94 -7.987 -12.572 4.245 1.00 41.45 C ATOM 1445 O SER A 94 -7.808 -13.555 4.966 1.00 21.13 O ATOM 1446 CB SER A 94 -10.497 -12.753 4.298 1.00 54.12 C ATOM 1447 OG SER A 94 -11.721 -12.031 4.298 1.00 62.44 O ATOM 0 H SER A 94 -9.169 -11.316 2.249 1.00 44.50 H new ATOM 0 HA SER A 94 -9.314 -11.207 5.206 1.00 75.23 H new ATOM 0 HB2 SER A 94 -10.454 -13.405 3.426 1.00 54.12 H new ATOM 0 HB3 SER A 94 -10.447 -13.394 5.178 1.00 54.12 H new ATOM 0 HG SER A 94 -12.472 -12.660 4.303 1.00 62.44 H new ATOM 1453 N ALA A 95 -7.065 -12.123 3.397 1.00 51.41 N ATOM 1454 CA ALA A 95 -5.738 -12.724 3.310 1.00 23.24 C ATOM 1455 C ALA A 95 -4.744 -11.884 4.106 1.00 5.02 C ATOM 1456 O ALA A 95 -4.763 -10.656 4.014 1.00 73.11 O ATOM 1457 CB ALA A 95 -5.300 -12.844 1.853 1.00 31.13 C ATOM 0 H ALA A 95 -7.214 -11.342 2.758 1.00 51.41 H new ATOM 0 HA ALA A 95 -5.771 -13.728 3.734 1.00 23.24 H new ATOM 0 HB1 ALA A 95 -4.308 -13.294 1.807 1.00 31.13 H new ATOM 0 HB2 ALA A 95 -6.008 -13.470 1.311 1.00 31.13 H new ATOM 0 HB3 ALA A 95 -5.270 -11.853 1.399 1.00 31.13 H new ATOM 1463 N ILE A 96 -3.881 -12.547 4.878 1.00 61.12 N ATOM 1464 CA ILE A 96 -2.941 -11.852 5.765 1.00 43.13 C ATOM 1465 C ILE A 96 -2.060 -10.852 4.990 1.00 22.04 C ATOM 1466 O ILE A 96 -2.023 -9.670 5.337 1.00 60.41 O ATOM 1467 CB ILE A 96 -2.052 -12.850 6.565 1.00 71.24 C ATOM 1468 CG1 ILE A 96 -2.926 -13.830 7.375 1.00 10.32 C ATOM 1469 CG2 ILE A 96 -1.086 -12.102 7.485 1.00 34.41 C ATOM 1470 CD1 ILE A 96 -3.830 -13.163 8.394 1.00 51.25 C ATOM 0 H ILE A 96 -3.812 -13.564 4.908 1.00 61.12 H new ATOM 0 HA ILE A 96 -3.545 -11.292 6.479 1.00 43.13 H new ATOM 0 HB ILE A 96 -1.463 -13.426 5.851 1.00 71.24 H new ATOM 0 HG12 ILE A 96 -3.540 -14.407 6.684 1.00 10.32 H new ATOM 0 HG13 ILE A 96 -2.276 -14.537 7.891 1.00 10.32 H new ATOM 0 HG21 ILE A 96 -0.476 -12.820 8.033 1.00 34.41 H new ATOM 0 HG22 ILE A 96 -0.440 -11.458 6.888 1.00 34.41 H new ATOM 0 HG23 ILE A 96 -1.653 -11.494 8.190 1.00 34.41 H new ATOM 0 HD11 ILE A 96 -4.409 -13.923 8.919 1.00 51.25 H new ATOM 0 HD12 ILE A 96 -3.224 -12.609 9.111 1.00 51.25 H new ATOM 0 HD13 ILE A 96 -4.508 -12.477 7.886 1.00 51.25 H new ATOM 1482 N PRO A 97 -1.341 -11.292 3.929 1.00 13.40 N ATOM 1483 CA PRO A 97 -0.547 -10.396 3.103 1.00 5.25 C ATOM 1484 C PRO A 97 -1.335 -9.922 1.880 1.00 43.22 C ATOM 1485 O PRO A 97 -1.549 -10.686 0.933 1.00 61.25 O ATOM 1486 CB PRO A 97 0.631 -11.287 2.696 1.00 31.44 C ATOM 1487 CG PRO A 97 0.071 -12.683 2.654 1.00 54.13 C ATOM 1488 CD PRO A 97 -1.227 -12.681 3.442 1.00 52.21 C ATOM 0 HA PRO A 97 -0.246 -9.482 3.615 1.00 5.25 H new ATOM 0 HB2 PRO A 97 1.030 -10.993 1.725 1.00 31.44 H new ATOM 0 HB3 PRO A 97 1.448 -11.212 3.413 1.00 31.44 H new ATOM 0 HG2 PRO A 97 -0.107 -12.993 1.624 1.00 54.13 H new ATOM 0 HG3 PRO A 97 0.778 -13.392 3.083 1.00 54.13 H new ATOM 0 HD2 PRO A 97 -2.076 -12.956 2.816 1.00 52.21 H new ATOM 0 HD3 PRO A 97 -1.195 -13.393 4.267 1.00 52.21 H new ATOM 1496 N THR A 98 -1.783 -8.675 1.909 1.00 33.34 N ATOM 1497 CA THR A 98 -2.585 -8.120 0.825 1.00 11.33 C ATOM 1498 C THR A 98 -2.322 -6.624 0.685 1.00 1.34 C ATOM 1499 O THR A 98 -2.605 -5.850 1.600 1.00 23.44 O ATOM 1500 CB THR A 98 -4.099 -8.345 1.061 1.00 44.40 C ATOM 1501 OG1 THR A 98 -4.361 -9.729 1.330 1.00 71.22 O ATOM 1502 CG2 THR A 98 -4.916 -7.906 -0.152 1.00 13.12 C ATOM 0 H THR A 98 -1.604 -8.025 2.674 1.00 33.34 H new ATOM 0 HA THR A 98 -2.295 -8.637 -0.089 1.00 11.33 H new ATOM 0 HB THR A 98 -4.393 -7.742 1.920 1.00 44.40 H new ATOM 0 HG1 THR A 98 -4.485 -9.857 2.294 1.00 71.22 H new ATOM 0 HG21 THR A 98 -5.975 -8.076 0.042 1.00 13.12 H new ATOM 0 HG22 THR A 98 -4.747 -6.846 -0.340 1.00 13.12 H new ATOM 0 HG23 THR A 98 -4.610 -8.483 -1.025 1.00 13.12 H new ATOM 1510 N ILE A 99 -1.811 -6.225 -0.473 1.00 60.02 N ATOM 1511 CA ILE A 99 -1.463 -4.834 -0.724 1.00 63.34 C ATOM 1512 C ILE A 99 -2.439 -4.226 -1.727 1.00 3.41 C ATOM 1513 O ILE A 99 -2.455 -4.600 -2.903 1.00 55.30 O ATOM 1514 CB ILE A 99 -0.013 -4.688 -1.281 1.00 54.05 C ATOM 1515 CG1 ILE A 99 1.045 -5.138 -0.246 1.00 2.03 C ATOM 1516 CG2 ILE A 99 0.258 -3.247 -1.720 1.00 24.41 C ATOM 1517 CD1 ILE A 99 1.119 -6.638 -0.024 1.00 4.45 C ATOM 0 H ILE A 99 -1.628 -6.851 -1.257 1.00 60.02 H new ATOM 0 HA ILE A 99 -1.520 -4.309 0.230 1.00 63.34 H new ATOM 0 HB ILE A 99 0.067 -5.342 -2.149 1.00 54.05 H new ATOM 0 HG12 ILE A 99 2.024 -4.784 -0.570 1.00 2.03 H new ATOM 0 HG13 ILE A 99 0.830 -4.654 0.707 1.00 2.03 H new ATOM 0 HG21 ILE A 99 1.275 -3.169 -2.105 1.00 24.41 H new ATOM 0 HG22 ILE A 99 -0.448 -2.966 -2.501 1.00 24.41 H new ATOM 0 HG23 ILE A 99 0.141 -2.579 -0.867 1.00 24.41 H new ATOM 0 HD11 ILE A 99 1.887 -6.859 0.717 1.00 4.45 H new ATOM 0 HD12 ILE A 99 0.155 -7.001 0.334 1.00 4.45 H new ATOM 0 HD13 ILE A 99 1.367 -7.133 -0.963 1.00 4.45 H new ATOM 1529 N LEU A 100 -3.268 -3.310 -1.245 1.00 54.30 N ATOM 1530 CA LEU A 100 -4.196 -2.580 -2.098 1.00 1.41 C ATOM 1531 C LEU A 100 -3.540 -1.284 -2.557 1.00 45.54 C ATOM 1532 O LEU A 100 -3.113 -0.474 -1.735 1.00 61.12 O ATOM 1533 CB LEU A 100 -5.513 -2.276 -1.362 1.00 32.44 C ATOM 1534 CG LEU A 100 -6.363 -3.500 -0.957 1.00 52.03 C ATOM 1535 CD1 LEU A 100 -5.701 -4.293 0.168 1.00 22.33 C ATOM 1536 CD2 LEU A 100 -7.773 -3.069 -0.556 1.00 72.43 C ATOM 0 H LEU A 100 -3.316 -3.053 -0.259 1.00 54.30 H new ATOM 0 HA LEU A 100 -4.436 -3.200 -2.962 1.00 1.41 H new ATOM 0 HB2 LEU A 100 -5.280 -1.707 -0.462 1.00 32.44 H new ATOM 0 HB3 LEU A 100 -6.120 -1.632 -1.998 1.00 32.44 H new ATOM 0 HG LEU A 100 -6.435 -4.155 -1.825 1.00 52.03 H new ATOM 0 HD11 LEU A 100 -6.326 -5.147 0.428 1.00 22.33 H new ATOM 0 HD12 LEU A 100 -4.724 -4.646 -0.162 1.00 22.33 H new ATOM 0 HD13 LEU A 100 -5.580 -3.653 1.042 1.00 22.33 H new ATOM 0 HD21 LEU A 100 -8.355 -3.946 -0.274 1.00 72.43 H new ATOM 0 HD22 LEU A 100 -7.717 -2.384 0.290 1.00 72.43 H new ATOM 0 HD23 LEU A 100 -8.254 -2.569 -1.397 1.00 72.43 H new ATOM 1548 N MET A 101 -3.458 -1.095 -3.863 1.00 61.43 N ATOM 1549 CA MET A 101 -2.772 0.058 -4.438 1.00 43.20 C ATOM 1550 C MET A 101 -3.792 1.136 -4.813 1.00 41.15 C ATOM 1551 O MET A 101 -4.894 0.819 -5.267 1.00 34.41 O ATOM 1552 CB MET A 101 -1.965 -0.392 -5.675 1.00 62.32 C ATOM 1553 CG MET A 101 -1.083 -1.612 -5.417 1.00 63.40 C ATOM 1554 SD MET A 101 0.048 -1.967 -6.776 1.00 62.24 S ATOM 1555 CE MET A 101 1.118 -0.534 -6.704 1.00 55.30 C ATOM 0 H MET A 101 -3.861 -1.729 -4.553 1.00 61.43 H new ATOM 0 HA MET A 101 -2.084 0.481 -3.706 1.00 43.20 H new ATOM 0 HB2 MET A 101 -2.656 -0.618 -6.487 1.00 62.32 H new ATOM 0 HB3 MET A 101 -1.339 0.435 -6.011 1.00 62.32 H new ATOM 0 HG2 MET A 101 -0.507 -1.450 -4.506 1.00 63.40 H new ATOM 0 HG3 MET A 101 -1.717 -2.481 -5.243 1.00 63.40 H new ATOM 0 HE1 MET A 101 1.066 0.007 -7.649 1.00 55.30 H new ATOM 0 HE2 MET A 101 0.797 0.120 -5.893 1.00 55.30 H new ATOM 0 HE3 MET A 101 2.144 -0.855 -6.526 1.00 55.30 H new ATOM 1565 N PHE A 102 -3.430 2.404 -4.608 1.00 70.31 N ATOM 1566 CA PHE A 102 -4.280 3.542 -4.986 1.00 21.32 C ATOM 1567 C PHE A 102 -3.404 4.700 -5.455 1.00 32.12 C ATOM 1568 O PHE A 102 -2.260 4.821 -5.018 1.00 32.14 O ATOM 1569 CB PHE A 102 -5.150 3.992 -3.797 1.00 53.21 C ATOM 1570 CG PHE A 102 -6.089 2.927 -3.289 1.00 5.31 C ATOM 1571 CD1 PHE A 102 -7.309 2.702 -3.911 1.00 55.12 C ATOM 1572 CD2 PHE A 102 -5.747 2.143 -2.193 1.00 2.40 C ATOM 1573 CE1 PHE A 102 -8.166 1.720 -3.453 1.00 52.31 C ATOM 1574 CE2 PHE A 102 -6.599 1.160 -1.735 1.00 4.13 C ATOM 1575 CZ PHE A 102 -7.812 0.948 -2.364 1.00 62.15 C ATOM 0 H PHE A 102 -2.545 2.673 -4.178 1.00 70.31 H new ATOM 0 HA PHE A 102 -4.940 3.231 -5.796 1.00 21.32 H new ATOM 0 HB2 PHE A 102 -4.499 4.307 -2.982 1.00 53.21 H new ATOM 0 HB3 PHE A 102 -5.732 4.864 -4.095 1.00 53.21 H new ATOM 0 HD1 PHE A 102 -7.592 3.302 -4.763 1.00 55.12 H new ATOM 0 HD2 PHE A 102 -4.803 2.306 -1.694 1.00 2.40 H new ATOM 0 HE1 PHE A 102 -9.113 1.556 -3.946 1.00 52.31 H new ATOM 0 HE2 PHE A 102 -6.319 0.556 -0.885 1.00 4.13 H new ATOM 0 HZ PHE A 102 -8.481 0.180 -2.004 1.00 62.15 H new ATOM 1585 N LYS A 103 -3.919 5.546 -6.353 1.00 22.31 N ATOM 1586 CA LYS A 103 -3.147 6.703 -6.823 1.00 0.34 C ATOM 1587 C LYS A 103 -4.068 7.864 -7.184 1.00 3.13 C ATOM 1588 O LYS A 103 -4.955 7.713 -8.023 1.00 11.42 O ATOM 1589 CB LYS A 103 -2.286 6.329 -8.041 1.00 4.14 C ATOM 1590 CG LYS A 103 -1.172 7.336 -8.333 1.00 33.41 C ATOM 1591 CD LYS A 103 -0.340 6.954 -9.562 1.00 44.34 C ATOM 1592 CE LYS A 103 -1.084 7.214 -10.868 1.00 2.20 C ATOM 1593 NZ LYS A 103 -0.260 6.867 -12.058 1.00 61.50 N ATOM 0 H LYS A 103 -4.849 5.456 -6.763 1.00 22.31 H new ATOM 0 HA LYS A 103 -2.492 7.013 -6.009 1.00 0.34 H new ATOM 0 HB2 LYS A 103 -1.843 5.347 -7.875 1.00 4.14 H new ATOM 0 HB3 LYS A 103 -2.928 6.245 -8.918 1.00 4.14 H new ATOM 0 HG2 LYS A 103 -1.610 8.322 -8.487 1.00 33.41 H new ATOM 0 HG3 LYS A 103 -0.518 7.410 -7.465 1.00 33.41 H new ATOM 0 HD2 LYS A 103 0.591 7.520 -9.558 1.00 44.34 H new ATOM 0 HD3 LYS A 103 -0.072 5.899 -9.503 1.00 44.34 H new ATOM 0 HE2 LYS A 103 -2.005 6.631 -10.883 1.00 2.20 H new ATOM 0 HE3 LYS A 103 -1.370 8.264 -10.919 1.00 2.20 H new ATOM 0 HZ1 LYS A 103 -0.085 7.724 -12.621 1.00 61.50 H new ATOM 0 HZ2 LYS A 103 0.648 6.466 -11.747 1.00 61.50 H new ATOM 0 HZ3 LYS A 103 -0.766 6.168 -12.639 1.00 61.50 H new ATOM 1607 N ASN A 104 -3.842 9.022 -6.557 1.00 52.24 N ATOM 1608 CA ASN A 104 -4.656 10.226 -6.799 1.00 53.21 C ATOM 1609 C ASN A 104 -6.110 9.973 -6.400 1.00 21.11 C ATOM 1610 O ASN A 104 -7.034 10.623 -6.899 1.00 61.40 O ATOM 1611 CB ASN A 104 -4.582 10.659 -8.279 1.00 71.32 C ATOM 1612 CG ASN A 104 -3.212 11.182 -8.690 1.00 33.12 C ATOM 1613 OD1 ASN A 104 -2.185 10.802 -8.126 1.00 24.05 O ATOM 1614 ND2 ASN A 104 -3.187 12.048 -9.694 1.00 71.22 N ATOM 0 H ASN A 104 -3.098 9.155 -5.873 1.00 52.24 H new ATOM 0 HA ASN A 104 -4.253 11.033 -6.186 1.00 53.21 H new ATOM 0 HB2 ASN A 104 -4.843 9.810 -8.911 1.00 71.32 H new ATOM 0 HB3 ASN A 104 -5.327 11.433 -8.461 1.00 71.32 H new ATOM 0 HD21 ASN A 104 -2.297 12.422 -10.023 1.00 71.22 H new ATOM 0 HD22 ASN A 104 -4.058 12.340 -10.137 1.00 71.22 H new ATOM 1621 N GLY A 105 -6.302 9.032 -5.477 1.00 12.11 N ATOM 1622 CA GLY A 105 -7.640 8.618 -5.087 1.00 34.35 C ATOM 1623 C GLY A 105 -8.287 7.726 -6.133 1.00 75.02 C ATOM 1624 O GLY A 105 -9.403 7.232 -5.941 1.00 14.14 O ATOM 0 H GLY A 105 -5.549 8.546 -4.990 1.00 12.11 H new ATOM 0 HA2 GLY A 105 -7.593 8.087 -4.137 1.00 34.35 H new ATOM 0 HA3 GLY A 105 -8.261 9.500 -4.928 1.00 34.35 H new ATOM 1628 N LYS A 106 -7.581 7.514 -7.240 1.00 20.05 N ATOM 1629 CA LYS A 106 -8.075 6.688 -8.331 1.00 31.14 C ATOM 1630 C LYS A 106 -7.691 5.233 -8.093 1.00 23.14 C ATOM 1631 O LYS A 106 -6.618 4.947 -7.531 1.00 42.42 O ATOM 1632 CB LYS A 106 -7.522 7.194 -9.675 1.00 65.04 C ATOM 1633 CG LYS A 106 -7.890 6.326 -10.880 1.00 12.25 C ATOM 1634 CD LYS A 106 -7.523 6.999 -12.204 1.00 34.34 C ATOM 1635 CE LYS A 106 -6.053 7.408 -12.257 1.00 11.34 C ATOM 1636 NZ LYS A 106 -5.748 8.218 -13.466 1.00 21.24 N ATOM 0 H LYS A 106 -6.655 7.909 -7.403 1.00 20.05 H new ATOM 0 HA LYS A 106 -9.162 6.755 -8.368 1.00 31.14 H new ATOM 0 HB2 LYS A 106 -7.889 8.206 -9.847 1.00 65.04 H new ATOM 0 HB3 LYS A 106 -6.436 7.256 -9.606 1.00 65.04 H new ATOM 0 HG2 LYS A 106 -7.377 5.367 -10.806 1.00 12.25 H new ATOM 0 HG3 LYS A 106 -8.960 6.117 -10.864 1.00 12.25 H new ATOM 0 HD2 LYS A 106 -7.738 6.318 -13.027 1.00 34.34 H new ATOM 0 HD3 LYS A 106 -8.149 7.880 -12.347 1.00 34.34 H new ATOM 0 HE2 LYS A 106 -5.803 7.980 -11.364 1.00 11.34 H new ATOM 0 HE3 LYS A 106 -5.427 6.516 -12.250 1.00 11.34 H new ATOM 0 HZ1 LYS A 106 -4.741 8.476 -13.466 1.00 21.24 H new ATOM 0 HZ2 LYS A 106 -5.963 7.663 -14.319 1.00 21.24 H new ATOM 0 HZ3 LYS A 106 -6.327 9.082 -13.460 1.00 21.24 H new ATOM 1650 N LYS A 107 -8.582 4.331 -8.503 1.00 42.32 N ATOM 1651 CA LYS A 107 -8.395 2.905 -8.291 1.00 24.50 C ATOM 1652 C LYS A 107 -7.111 2.418 -8.961 1.00 0.25 C ATOM 1653 O LYS A 107 -6.723 2.893 -10.030 1.00 53.11 O ATOM 1654 CB LYS A 107 -9.612 2.118 -8.800 1.00 14.11 C ATOM 1655 CG LYS A 107 -9.617 0.645 -8.385 1.00 74.45 C ATOM 1656 CD LYS A 107 -9.641 0.451 -6.860 1.00 53.22 C ATOM 1657 CE LYS A 107 -10.987 0.810 -6.222 1.00 32.32 C ATOM 1658 NZ LYS A 107 -11.298 2.267 -6.278 1.00 72.33 N ATOM 0 H LYS A 107 -9.447 4.571 -8.988 1.00 42.32 H new ATOM 0 HA LYS A 107 -8.301 2.730 -7.219 1.00 24.50 H new ATOM 0 HB2 LYS A 107 -10.520 2.593 -8.429 1.00 14.11 H new ATOM 0 HB3 LYS A 107 -9.642 2.179 -9.888 1.00 14.11 H new ATOM 0 HG2 LYS A 107 -10.486 0.153 -8.822 1.00 74.45 H new ATOM 0 HG3 LYS A 107 -8.734 0.155 -8.794 1.00 74.45 H new ATOM 0 HD2 LYS A 107 -9.404 -0.588 -6.630 1.00 53.22 H new ATOM 0 HD3 LYS A 107 -8.859 1.064 -6.411 1.00 53.22 H new ATOM 0 HE2 LYS A 107 -11.779 0.257 -6.727 1.00 32.32 H new ATOM 0 HE3 LYS A 107 -10.986 0.486 -5.181 1.00 32.32 H new ATOM 0 HZ1 LYS A 107 -11.751 2.560 -5.389 1.00 72.33 H new ATOM 0 HZ2 LYS A 107 -10.418 2.805 -6.411 1.00 72.33 H new ATOM 0 HZ3 LYS A 107 -11.942 2.454 -7.073 1.00 72.33 H new ATOM 1672 N LEU A 108 -6.487 1.455 -8.313 1.00 24.13 N ATOM 1673 CA LEU A 108 -5.154 0.975 -8.641 1.00 70.10 C ATOM 1674 C LEU A 108 -5.091 -0.498 -8.233 1.00 41.43 C ATOM 1675 O LEU A 108 -6.006 -0.986 -7.561 1.00 64.33 O ATOM 1676 CB LEU A 108 -4.073 1.824 -7.943 1.00 30.45 C ATOM 1677 CG LEU A 108 -2.968 2.412 -8.846 1.00 52.53 C ATOM 1678 CD1 LEU A 108 -2.115 1.312 -9.467 1.00 23.12 C ATOM 1679 CD2 LEU A 108 -3.566 3.306 -9.931 1.00 21.32 C ATOM 0 H LEU A 108 -6.904 0.968 -7.519 1.00 24.13 H new ATOM 0 HA LEU A 108 -4.957 1.068 -9.709 1.00 70.10 H new ATOM 0 HB2 LEU A 108 -4.567 2.648 -7.428 1.00 30.45 H new ATOM 0 HB3 LEU A 108 -3.598 1.209 -7.179 1.00 30.45 H new ATOM 0 HG LEU A 108 -2.321 3.023 -8.217 1.00 52.53 H new ATOM 0 HD11 LEU A 108 -1.346 1.760 -10.097 1.00 23.12 H new ATOM 0 HD12 LEU A 108 -1.642 0.728 -8.677 1.00 23.12 H new ATOM 0 HD13 LEU A 108 -2.746 0.660 -10.072 1.00 23.12 H new ATOM 0 HD21 LEU A 108 -2.766 3.708 -10.553 1.00 21.32 H new ATOM 0 HD22 LEU A 108 -4.248 2.722 -10.549 1.00 21.32 H new ATOM 0 HD23 LEU A 108 -4.111 4.127 -9.466 1.00 21.32 H new ATOM 1691 N SER A 109 -4.060 -1.210 -8.654 1.00 4.42 N ATOM 1692 CA SER A 109 -4.047 -2.667 -8.601 1.00 51.13 C ATOM 1693 C SER A 109 -3.947 -3.197 -7.167 1.00 22.24 C ATOM 1694 O SER A 109 -3.900 -2.434 -6.211 1.00 42.34 O ATOM 1695 CB SER A 109 -2.836 -3.158 -9.401 1.00 51.33 C ATOM 1696 OG SER A 109 -3.060 -3.049 -10.800 1.00 22.12 O ATOM 0 H SER A 109 -3.210 -0.799 -9.041 1.00 4.42 H new ATOM 0 HA SER A 109 -4.984 -3.035 -9.019 1.00 51.13 H new ATOM 0 HB2 SER A 109 -1.956 -2.577 -9.126 1.00 51.33 H new ATOM 0 HB3 SER A 109 -2.625 -4.196 -9.145 1.00 51.33 H new ATOM 0 HG SER A 109 -2.234 -2.760 -11.242 1.00 22.12 H new ATOM 1702 N GLN A 110 -3.973 -4.517 -7.028 1.00 33.02 N ATOM 1703 CA GLN A 110 -3.957 -5.158 -5.720 1.00 34.32 C ATOM 1704 C GLN A 110 -3.114 -6.427 -5.770 1.00 34.34 C ATOM 1705 O GLN A 110 -3.413 -7.349 -6.532 1.00 34.02 O ATOM 1706 CB GLN A 110 -5.390 -5.496 -5.282 1.00 21.12 C ATOM 1707 CG GLN A 110 -5.486 -6.164 -3.912 1.00 11.41 C ATOM 1708 CD GLN A 110 -6.881 -6.695 -3.613 1.00 42.13 C ATOM 1709 OE1 GLN A 110 -7.621 -7.079 -4.522 1.00 2.25 O ATOM 1710 NE2 GLN A 110 -7.247 -6.735 -2.340 1.00 44.31 N ATOM 0 H GLN A 110 -4.006 -5.168 -7.812 1.00 33.02 H new ATOM 0 HA GLN A 110 -3.519 -4.471 -4.996 1.00 34.32 H new ATOM 0 HB2 GLN A 110 -5.979 -4.579 -5.269 1.00 21.12 H new ATOM 0 HB3 GLN A 110 -5.840 -6.153 -6.026 1.00 21.12 H new ATOM 0 HG2 GLN A 110 -4.771 -6.985 -3.862 1.00 11.41 H new ATOM 0 HG3 GLN A 110 -5.202 -5.447 -3.142 1.00 11.41 H new ATOM 0 HE21 GLN A 110 -6.608 -6.409 -1.615 1.00 44.31 H new ATOM 0 HE22 GLN A 110 -8.168 -7.092 -2.085 1.00 44.31 H new ATOM 1719 N VAL A 111 -2.060 -6.463 -4.966 1.00 34.04 N ATOM 1720 CA VAL A 111 -1.175 -7.618 -4.901 1.00 23.41 C ATOM 1721 C VAL A 111 -1.506 -8.464 -3.676 1.00 62.21 C ATOM 1722 O VAL A 111 -1.242 -8.062 -2.543 1.00 43.43 O ATOM 1723 CB VAL A 111 0.313 -7.188 -4.846 1.00 42.35 C ATOM 1724 CG1 VAL A 111 1.235 -8.410 -4.856 1.00 43.42 C ATOM 1725 CG2 VAL A 111 0.644 -6.246 -6.004 1.00 72.53 C ATOM 0 H VAL A 111 -1.796 -5.698 -4.345 1.00 34.04 H new ATOM 0 HA VAL A 111 -1.329 -8.206 -5.806 1.00 23.41 H new ATOM 0 HB VAL A 111 0.478 -6.651 -3.912 1.00 42.35 H new ATOM 0 HG11 VAL A 111 2.274 -8.082 -4.817 1.00 43.42 H new ATOM 0 HG12 VAL A 111 1.019 -9.036 -3.990 1.00 43.42 H new ATOM 0 HG13 VAL A 111 1.070 -8.983 -5.768 1.00 43.42 H new ATOM 0 HG21 VAL A 111 1.693 -5.955 -5.948 1.00 72.53 H new ATOM 0 HG22 VAL A 111 0.458 -6.754 -6.950 1.00 72.53 H new ATOM 0 HG23 VAL A 111 0.017 -5.357 -5.940 1.00 72.53 H new ATOM 1735 N ILE A 112 -2.114 -9.619 -3.905 1.00 43.11 N ATOM 1736 CA ILE A 112 -2.447 -10.542 -2.827 1.00 43.21 C ATOM 1737 C ILE A 112 -1.353 -11.597 -2.711 1.00 0.12 C ATOM 1738 O ILE A 112 -1.068 -12.313 -3.676 1.00 35.54 O ATOM 1739 CB ILE A 112 -3.814 -11.254 -3.041 1.00 12.34 C ATOM 1740 CG1 ILE A 112 -4.949 -10.237 -3.278 1.00 33.44 C ATOM 1741 CG2 ILE A 112 -4.142 -12.146 -1.842 1.00 3.34 C ATOM 1742 CD1 ILE A 112 -4.961 -9.625 -4.664 1.00 71.32 C ATOM 0 H ILE A 112 -2.389 -9.942 -4.833 1.00 43.11 H new ATOM 0 HA ILE A 112 -2.524 -9.953 -1.913 1.00 43.21 H new ATOM 0 HB ILE A 112 -3.731 -11.875 -3.933 1.00 12.34 H new ATOM 0 HG12 ILE A 112 -5.905 -10.731 -3.104 1.00 33.44 H new ATOM 0 HG13 ILE A 112 -4.864 -9.438 -2.542 1.00 33.44 H new ATOM 0 HG21 ILE A 112 -5.101 -12.638 -2.006 1.00 3.34 H new ATOM 0 HG22 ILE A 112 -3.363 -12.900 -1.725 1.00 3.34 H new ATOM 0 HG23 ILE A 112 -4.196 -11.537 -0.939 1.00 3.34 H new ATOM 0 HD11 ILE A 112 -5.790 -8.922 -4.744 1.00 71.32 H new ATOM 0 HD12 ILE A 112 -4.022 -9.100 -4.838 1.00 71.32 H new ATOM 0 HD13 ILE A 112 -5.079 -10.412 -5.408 1.00 71.32 H new ATOM 1754 N GLY A 113 -0.743 -11.681 -1.538 1.00 40.05 N ATOM 1755 CA GLY A 113 0.343 -12.614 -1.322 1.00 41.41 C ATOM 1756 C GLY A 113 1.695 -11.951 -1.486 1.00 10.01 C ATOM 1757 O GLY A 113 1.801 -10.871 -2.075 1.00 14.50 O ATOM 0 H GLY A 113 -0.984 -11.114 -0.725 1.00 40.05 H new ATOM 0 HA2 GLY A 113 0.265 -13.037 -0.321 1.00 41.41 H new ATOM 0 HA3 GLY A 113 0.256 -13.442 -2.026 1.00 41.41 H new ATOM 1761 N ALA A 114 2.732 -12.596 -0.971 1.00 45.52 N ATOM 1762 CA ALA A 114 4.080 -12.052 -1.023 1.00 0.13 C ATOM 1763 C ALA A 114 4.669 -12.170 -2.428 1.00 42.44 C ATOM 1764 O ALA A 114 5.278 -13.187 -2.774 1.00 71.33 O ATOM 1765 CB ALA A 114 4.971 -12.758 -0.007 1.00 12.43 C ATOM 0 H ALA A 114 2.664 -13.503 -0.509 1.00 45.52 H new ATOM 0 HA ALA A 114 4.030 -10.993 -0.771 1.00 0.13 H new ATOM 0 HB1 ALA A 114 5.978 -12.343 -0.055 1.00 12.43 H new ATOM 0 HB2 ALA A 114 4.566 -12.613 0.995 1.00 12.43 H new ATOM 0 HB3 ALA A 114 5.007 -13.824 -0.233 1.00 12.43 H new ATOM 1771 N ASP A 115 4.452 -11.145 -3.246 1.00 3.44 N ATOM 1772 CA ASP A 115 5.051 -11.077 -4.577 1.00 21.41 C ATOM 1773 C ASP A 115 5.671 -9.698 -4.797 1.00 75.00 C ATOM 1774 O ASP A 115 5.060 -8.796 -5.391 1.00 61.25 O ATOM 1775 CB ASP A 115 4.013 -11.397 -5.666 1.00 23.15 C ATOM 1776 CG ASP A 115 4.616 -11.496 -7.064 1.00 24.12 C ATOM 1777 OD1 ASP A 115 5.858 -11.472 -7.199 1.00 73.12 O ATOM 1778 OD2 ASP A 115 3.843 -11.606 -8.038 1.00 31.03 O ATOM 0 H ASP A 115 3.863 -10.346 -3.010 1.00 3.44 H new ATOM 0 HA ASP A 115 5.838 -11.828 -4.645 1.00 21.41 H new ATOM 0 HB2 ASP A 115 3.520 -12.338 -5.423 1.00 23.15 H new ATOM 0 HB3 ASP A 115 3.244 -10.625 -5.663 1.00 23.15 H new ATOM 1783 N ILE A 116 6.889 -9.540 -4.282 1.00 51.12 N ATOM 1784 CA ILE A 116 7.601 -8.270 -4.343 1.00 74.45 C ATOM 1785 C ILE A 116 7.846 -7.876 -5.802 1.00 43.40 C ATOM 1786 O ILE A 116 7.899 -6.691 -6.134 1.00 73.43 O ATOM 1787 CB ILE A 116 8.944 -8.345 -3.546 1.00 71.10 C ATOM 1788 CG1 ILE A 116 9.237 -7.020 -2.811 1.00 12.21 C ATOM 1789 CG2 ILE A 116 10.117 -8.731 -4.450 1.00 62.13 C ATOM 1790 CD1 ILE A 116 9.508 -5.833 -3.712 1.00 15.50 C ATOM 0 H ILE A 116 7.405 -10.285 -3.814 1.00 51.12 H new ATOM 0 HA ILE A 116 6.985 -7.501 -3.877 1.00 74.45 H new ATOM 0 HB ILE A 116 8.827 -9.129 -2.798 1.00 71.10 H new ATOM 0 HG12 ILE A 116 8.389 -6.783 -2.169 1.00 12.21 H new ATOM 0 HG13 ILE A 116 10.099 -7.166 -2.160 1.00 12.21 H new ATOM 0 HG21 ILE A 116 11.033 -8.773 -3.860 1.00 62.13 H new ATOM 0 HG22 ILE A 116 9.927 -9.708 -4.895 1.00 62.13 H new ATOM 0 HG23 ILE A 116 10.228 -7.988 -5.240 1.00 62.13 H new ATOM 0 HD11 ILE A 116 9.702 -4.950 -3.103 1.00 15.50 H new ATOM 0 HD12 ILE A 116 10.377 -6.041 -4.337 1.00 15.50 H new ATOM 0 HD13 ILE A 116 8.640 -5.652 -4.346 1.00 15.50 H new ATOM 1802 N SER A 117 7.964 -8.881 -6.671 1.00 43.13 N ATOM 1803 CA SER A 117 8.146 -8.650 -8.096 1.00 3.42 C ATOM 1804 C SER A 117 6.945 -7.883 -8.649 1.00 44.21 C ATOM 1805 O SER A 117 7.097 -6.850 -9.304 1.00 4.21 O ATOM 1806 CB SER A 117 8.307 -9.989 -8.827 1.00 22.24 C ATOM 1807 OG SER A 117 9.325 -10.785 -8.229 1.00 52.41 O ATOM 0 H SER A 117 7.936 -9.866 -6.406 1.00 43.13 H new ATOM 0 HA SER A 117 9.047 -8.057 -8.254 1.00 3.42 H new ATOM 0 HB2 SER A 117 7.361 -10.531 -8.810 1.00 22.24 H new ATOM 0 HB3 SER A 117 8.552 -9.807 -9.874 1.00 22.24 H new ATOM 0 HG SER A 117 9.405 -11.633 -8.714 1.00 52.41 H new ATOM 1813 N LYS A 118 5.748 -8.386 -8.343 1.00 52.42 N ATOM 1814 CA LYS A 118 4.505 -7.756 -8.779 1.00 34.14 C ATOM 1815 C LYS A 118 4.393 -6.354 -8.194 1.00 5.43 C ATOM 1816 O LYS A 118 4.073 -5.397 -8.903 1.00 21.54 O ATOM 1817 CB LYS A 118 3.298 -8.601 -8.341 1.00 53.54 C ATOM 1818 CG LYS A 118 1.970 -8.192 -8.977 1.00 11.31 C ATOM 1819 CD LYS A 118 1.929 -8.463 -10.484 1.00 34.13 C ATOM 1820 CE LYS A 118 1.935 -9.960 -10.824 1.00 24.11 C ATOM 1821 NZ LYS A 118 3.246 -10.615 -10.554 1.00 53.20 N ATOM 0 H LYS A 118 5.615 -9.233 -7.791 1.00 52.42 H new ATOM 0 HA LYS A 118 4.513 -7.688 -9.867 1.00 34.14 H new ATOM 0 HB2 LYS A 118 3.495 -9.645 -8.583 1.00 53.54 H new ATOM 0 HB3 LYS A 118 3.201 -8.538 -7.257 1.00 53.54 H new ATOM 0 HG2 LYS A 118 1.158 -8.733 -8.492 1.00 11.31 H new ATOM 0 HG3 LYS A 118 1.797 -7.131 -8.798 1.00 11.31 H new ATOM 0 HD2 LYS A 118 1.035 -8.004 -10.906 1.00 34.13 H new ATOM 0 HD3 LYS A 118 2.787 -7.985 -10.957 1.00 34.13 H new ATOM 0 HE2 LYS A 118 1.159 -10.461 -10.245 1.00 24.11 H new ATOM 0 HE3 LYS A 118 1.681 -10.089 -11.876 1.00 24.11 H new ATOM 0 HZ1 LYS A 118 3.445 -11.313 -11.298 1.00 53.20 H new ATOM 0 HZ2 LYS A 118 3.998 -9.896 -10.544 1.00 53.20 H new ATOM 0 HZ3 LYS A 118 3.212 -11.093 -9.631 1.00 53.20 H new ATOM 1835 N ILE A 119 4.673 -6.244 -6.895 1.00 1.32 N ATOM 1836 CA ILE A 119 4.586 -4.963 -6.195 1.00 54.24 C ATOM 1837 C ILE A 119 5.452 -3.898 -6.878 1.00 44.23 C ATOM 1838 O ILE A 119 4.952 -2.849 -7.306 1.00 10.24 O ATOM 1839 CB ILE A 119 5.024 -5.105 -4.710 1.00 61.35 C ATOM 1840 CG1 ILE A 119 4.103 -6.089 -3.966 1.00 22.34 C ATOM 1841 CG2 ILE A 119 5.034 -3.744 -4.012 1.00 33.04 C ATOM 1842 CD1 ILE A 119 4.506 -6.350 -2.527 1.00 55.55 C ATOM 0 H ILE A 119 4.962 -7.026 -6.307 1.00 1.32 H new ATOM 0 HA ILE A 119 3.543 -4.649 -6.231 1.00 54.24 H new ATOM 0 HB ILE A 119 6.039 -5.502 -4.692 1.00 61.35 H new ATOM 0 HG12 ILE A 119 3.085 -5.699 -3.982 1.00 22.34 H new ATOM 0 HG13 ILE A 119 4.090 -7.036 -4.506 1.00 22.34 H new ATOM 0 HG21 ILE A 119 5.344 -3.869 -2.974 1.00 33.04 H new ATOM 0 HG22 ILE A 119 5.732 -3.079 -4.521 1.00 33.04 H new ATOM 0 HG23 ILE A 119 4.034 -3.312 -4.042 1.00 33.04 H new ATOM 0 HD11 ILE A 119 3.806 -7.053 -2.075 1.00 55.55 H new ATOM 0 HD12 ILE A 119 5.511 -6.771 -2.501 1.00 55.55 H new ATOM 0 HD13 ILE A 119 4.491 -5.414 -1.969 1.00 55.55 H new ATOM 1854 N ILE A 120 6.747 -4.189 -7.021 1.00 50.14 N ATOM 1855 CA ILE A 120 7.688 -3.220 -7.577 1.00 23.31 C ATOM 1856 C ILE A 120 7.377 -2.951 -9.050 1.00 22.43 C ATOM 1857 O ILE A 120 7.534 -1.824 -9.533 1.00 25.40 O ATOM 1858 CB ILE A 120 9.166 -3.679 -7.425 1.00 23.12 C ATOM 1859 CG1 ILE A 120 10.128 -2.532 -7.791 1.00 53.31 C ATOM 1860 CG2 ILE A 120 9.449 -4.910 -8.284 1.00 24.44 C ATOM 1861 CD1 ILE A 120 11.594 -2.883 -7.626 1.00 11.40 C ATOM 0 H ILE A 120 7.164 -5.083 -6.761 1.00 50.14 H new ATOM 0 HA ILE A 120 7.567 -2.299 -7.007 1.00 23.31 H new ATOM 0 HB ILE A 120 9.330 -3.950 -6.382 1.00 23.12 H new ATOM 0 HG12 ILE A 120 9.949 -2.237 -8.825 1.00 53.31 H new ATOM 0 HG13 ILE A 120 9.899 -1.667 -7.169 1.00 53.31 H new ATOM 0 HG21 ILE A 120 10.489 -5.210 -8.159 1.00 24.44 H new ATOM 0 HG22 ILE A 120 8.796 -5.727 -7.975 1.00 24.44 H new ATOM 0 HG23 ILE A 120 9.263 -4.673 -9.332 1.00 24.44 H new ATOM 0 HD11 ILE A 120 12.207 -2.025 -7.903 1.00 11.40 H new ATOM 0 HD12 ILE A 120 11.790 -3.149 -6.587 1.00 11.40 H new ATOM 0 HD13 ILE A 120 11.840 -3.728 -8.269 1.00 11.40 H new ATOM 1873 N SER A 121 6.922 -3.984 -9.755 1.00 75.45 N ATOM 1874 CA SER A 121 6.551 -3.849 -11.156 1.00 72.41 C ATOM 1875 C SER A 121 5.442 -2.808 -11.302 1.00 15.22 C ATOM 1876 O SER A 121 5.570 -1.862 -12.079 1.00 60.34 O ATOM 1877 CB SER A 121 6.104 -5.199 -11.735 1.00 63.40 C ATOM 1878 OG SER A 121 5.880 -5.108 -13.132 1.00 62.51 O ATOM 0 H SER A 121 6.802 -4.923 -9.376 1.00 75.45 H new ATOM 0 HA SER A 121 7.424 -3.516 -11.717 1.00 72.41 H new ATOM 0 HB2 SER A 121 6.864 -5.954 -11.534 1.00 63.40 H new ATOM 0 HB3 SER A 121 5.191 -5.527 -11.238 1.00 63.40 H new ATOM 0 HG SER A 121 5.598 -5.981 -13.476 1.00 62.51 H new ATOM 1884 N GLU A 122 4.372 -2.968 -10.524 1.00 62.31 N ATOM 1885 CA GLU A 122 3.252 -2.032 -10.560 1.00 75.05 C ATOM 1886 C GLU A 122 3.681 -0.639 -10.107 1.00 24.23 C ATOM 1887 O GLU A 122 3.202 0.365 -10.643 1.00 13.25 O ATOM 1888 CB GLU A 122 2.082 -2.544 -9.705 1.00 44.03 C ATOM 1889 CG GLU A 122 1.209 -3.569 -10.418 1.00 31.43 C ATOM 1890 CD GLU A 122 0.599 -3.015 -11.701 1.00 44.44 C ATOM 1891 OE1 GLU A 122 -0.330 -2.181 -11.614 1.00 23.23 O ATOM 1892 OE2 GLU A 122 1.056 -3.399 -12.802 1.00 10.54 O ATOM 0 H GLU A 122 4.258 -3.736 -9.863 1.00 62.31 H new ATOM 0 HA GLU A 122 2.914 -1.959 -11.594 1.00 75.05 H new ATOM 0 HB2 GLU A 122 2.477 -2.988 -8.792 1.00 44.03 H new ATOM 0 HB3 GLU A 122 1.464 -1.698 -9.406 1.00 44.03 H new ATOM 0 HG2 GLU A 122 1.805 -4.451 -10.653 1.00 31.43 H new ATOM 0 HG3 GLU A 122 0.412 -3.892 -9.749 1.00 31.43 H new ATOM 1899 N ILE A 123 4.587 -0.569 -9.132 1.00 60.42 N ATOM 1900 CA ILE A 123 5.111 0.723 -8.686 1.00 33.21 C ATOM 1901 C ILE A 123 5.724 1.487 -9.865 1.00 11.20 C ATOM 1902 O ILE A 123 5.290 2.595 -10.202 1.00 60.35 O ATOM 1903 CB ILE A 123 6.179 0.556 -7.570 1.00 53.23 C ATOM 1904 CG1 ILE A 123 5.534 0.024 -6.277 1.00 12.42 C ATOM 1905 CG2 ILE A 123 6.910 1.875 -7.307 1.00 71.01 C ATOM 1906 CD1 ILE A 123 6.519 -0.206 -5.145 1.00 61.23 C ATOM 0 H ILE A 123 4.969 -1.378 -8.642 1.00 60.42 H new ATOM 0 HA ILE A 123 4.273 1.288 -8.277 1.00 33.21 H new ATOM 0 HB ILE A 123 6.914 -0.173 -7.913 1.00 53.23 H new ATOM 0 HG12 ILE A 123 4.773 0.731 -5.945 1.00 12.42 H new ATOM 0 HG13 ILE A 123 5.024 -0.914 -6.497 1.00 12.42 H new ATOM 0 HG21 ILE A 123 7.652 1.730 -6.522 1.00 71.01 H new ATOM 0 HG22 ILE A 123 7.407 2.204 -8.220 1.00 71.01 H new ATOM 0 HG23 ILE A 123 6.192 2.632 -6.992 1.00 71.01 H new ATOM 0 HD11 ILE A 123 5.987 -0.580 -4.270 1.00 61.23 H new ATOM 0 HD12 ILE A 123 7.266 -0.936 -5.456 1.00 61.23 H new ATOM 0 HD13 ILE A 123 7.012 0.733 -4.895 1.00 61.23 H new ATOM 1918 N ASN A 124 6.684 0.857 -10.536 1.00 53.23 N ATOM 1919 CA ASN A 124 7.381 1.493 -11.654 1.00 61.13 C ATOM 1920 C ASN A 124 6.449 1.648 -12.852 1.00 25.01 C ATOM 1921 O ASN A 124 6.591 2.581 -13.645 1.00 61.33 O ATOM 1922 CB ASN A 124 8.636 0.697 -12.043 1.00 1.14 C ATOM 1923 CG ASN A 124 9.722 0.768 -10.982 1.00 43.32 C ATOM 1924 OD1 ASN A 124 10.537 1.690 -10.973 1.00 41.51 O ATOM 1925 ND2 ASN A 124 9.749 -0.207 -10.085 1.00 52.24 N ATOM 0 H ASN A 124 6.998 -0.091 -10.327 1.00 53.23 H new ATOM 0 HA ASN A 124 7.696 2.486 -11.334 1.00 61.13 H new ATOM 0 HB2 ASN A 124 8.364 -0.345 -12.211 1.00 1.14 H new ATOM 0 HB3 ASN A 124 9.028 1.080 -12.985 1.00 1.14 H new ATOM 0 HD21 ASN A 124 10.462 -0.209 -9.356 1.00 52.24 H new ATOM 0 HD22 ASN A 124 9.057 -0.955 -10.124 1.00 52.24 H new ATOM 1932 N ASN A 125 5.485 0.738 -12.957 1.00 34.03 N ATOM 1933 CA ASN A 125 4.499 0.760 -14.039 1.00 35.24 C ATOM 1934 C ASN A 125 3.603 1.989 -13.933 1.00 23.13 C ATOM 1935 O ASN A 125 3.328 2.656 -14.929 1.00 21.24 O ATOM 1936 CB ASN A 125 3.637 -0.515 -14.000 1.00 64.45 C ATOM 1937 CG ASN A 125 2.539 -0.536 -15.057 1.00 51.41 C ATOM 1938 OD1 ASN A 125 2.689 0.026 -16.144 1.00 23.43 O ATOM 1939 ND2 ASN A 125 1.426 -1.193 -14.747 1.00 13.41 N ATOM 0 H ASN A 125 5.363 -0.032 -12.300 1.00 34.03 H new ATOM 0 HA ASN A 125 5.037 0.802 -14.986 1.00 35.24 H new ATOM 0 HB2 ASN A 125 4.280 -1.384 -14.138 1.00 64.45 H new ATOM 0 HB3 ASN A 125 3.183 -0.608 -13.013 1.00 64.45 H new ATOM 0 HD21 ASN A 125 0.660 -1.244 -15.419 1.00 13.41 H new ATOM 0 HD22 ASN A 125 1.338 -1.646 -13.837 1.00 13.41 H new ATOM 1946 N ASN A 126 3.155 2.293 -12.719 1.00 13.12 N ATOM 1947 CA ASN A 126 2.169 3.354 -12.509 1.00 43.53 C ATOM 1948 C ASN A 126 2.817 4.702 -12.193 1.00 53.12 C ATOM 1949 O ASN A 126 2.156 5.740 -12.293 1.00 13.15 O ATOM 1950 CB ASN A 126 1.180 2.963 -11.406 1.00 22.31 C ATOM 1951 CG ASN A 126 0.210 1.877 -11.853 1.00 55.14 C ATOM 1952 OD1 ASN A 126 -0.849 2.169 -12.407 1.00 54.10 O ATOM 1953 ND2 ASN A 126 0.561 0.623 -11.610 1.00 44.01 N ATOM 0 H ASN A 126 3.457 1.822 -11.866 1.00 13.12 H new ATOM 0 HA ASN A 126 1.627 3.472 -13.447 1.00 43.53 H new ATOM 0 HB2 ASN A 126 1.733 2.616 -10.533 1.00 22.31 H new ATOM 0 HB3 ASN A 126 0.617 3.844 -11.097 1.00 22.31 H new ATOM 0 HD21 ASN A 126 -0.056 -0.142 -11.885 1.00 44.01 H new ATOM 0 HD22 ASN A 126 1.448 0.422 -11.148 1.00 44.01 H new ATOM 1960 N ILE A 127 4.087 4.700 -11.788 1.00 42.14 N ATOM 1961 CA ILE A 127 4.818 5.957 -11.627 1.00 11.04 C ATOM 1962 C ILE A 127 5.272 6.484 -12.988 1.00 33.12 C ATOM 1963 O ILE A 127 4.884 7.578 -13.403 1.00 64.11 O ATOM 1964 CB ILE A 127 6.052 5.821 -10.695 1.00 50.51 C ATOM 1965 CG1 ILE A 127 5.616 5.483 -9.260 1.00 42.33 C ATOM 1966 CG2 ILE A 127 6.889 7.104 -10.708 1.00 2.23 C ATOM 1967 CD1 ILE A 127 6.774 5.361 -8.288 1.00 23.44 C ATOM 0 H ILE A 127 4.623 3.860 -11.569 1.00 42.14 H new ATOM 0 HA ILE A 127 4.127 6.659 -11.160 1.00 11.04 H new ATOM 0 HB ILE A 127 6.668 5.004 -11.071 1.00 50.51 H new ATOM 0 HG12 ILE A 127 4.934 6.255 -8.905 1.00 42.33 H new ATOM 0 HG13 ILE A 127 5.060 4.546 -9.269 1.00 42.33 H new ATOM 0 HG21 ILE A 127 7.748 6.985 -10.048 1.00 2.23 H new ATOM 0 HG22 ILE A 127 7.236 7.302 -11.722 1.00 2.23 H new ATOM 0 HG23 ILE A 127 6.280 7.939 -10.363 1.00 2.23 H new ATOM 0 HD11 ILE A 127 6.392 5.121 -7.296 1.00 23.44 H new ATOM 0 HD12 ILE A 127 7.445 4.569 -8.620 1.00 23.44 H new ATOM 0 HD13 ILE A 127 7.318 6.305 -8.249 1.00 23.44 H new ATOM 1979 N ASN A 128 6.077 5.691 -13.692 1.00 43.42 N ATOM 1980 CA ASN A 128 6.640 6.114 -14.973 1.00 14.03 C ATOM 1981 C ASN A 128 5.806 5.555 -16.127 1.00 23.14 C ATOM 1982 O ASN A 128 4.769 6.167 -16.459 1.00 75.03 O ATOM 1983 CB ASN A 128 8.113 5.670 -15.095 1.00 10.04 C ATOM 1984 CG ASN A 128 8.988 6.204 -13.969 1.00 13.22 C ATOM 1985 OD1 ASN A 128 9.501 7.324 -14.033 1.00 3.44 O ATOM 1986 ND2 ASN A 128 9.184 5.398 -12.934 1.00 41.30 N ATOM 1987 OXT ASN A 128 6.172 4.495 -16.682 1.00 0.00 O ATOM 0 H ASN A 128 6.354 4.754 -13.398 1.00 43.42 H new ATOM 0 HA ASN A 128 6.612 7.203 -15.022 1.00 14.03 H new ATOM 0 HB2 ASN A 128 8.160 4.581 -15.099 1.00 10.04 H new ATOM 0 HB3 ASN A 128 8.512 6.010 -16.051 1.00 10.04 H new ATOM 0 HD21 ASN A 128 9.775 5.698 -12.158 1.00 41.30 H new ATOM 0 HD22 ASN A 128 8.744 4.478 -12.914 1.00 41.30 H new