USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 MET CE :methyl 140:sc= -1.73 (180deg=-4.31!) USER MOD Set 1.2: A 126 ASN : amide:sc= 0.985 K(o=-0.74,f=-5.6!) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 159:sc= 0.676 (180deg=0) USER MOD Set 2.2: A 80 ASN : amide:sc= 0.254 K(o=0.93,f=-11!) USER MOD Set 3.1: A 41 ASN : amide:sc= -2.64! K(o=-4.9!,f=-1.4) USER MOD Set 3.2: A 73 ASN : amide:sc= -2.24! K(o=-4.9!,f=-1.7) USER MOD Set 4.1: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 75 LYS NZ :NH3+ -179:sc= 0.363 (180deg=0.362) USER MOD Set 5.1: A 38 CYS SG : rot -85:sc= -2.63! USER MOD Set 5.2: A 104 ASN : amide:sc= -1.68 X(o=-4.3,f=-4.4) USER MOD Single : A 22 MET CE :methyl -131:sc= -0.14 (180deg=-0.867) USER MOD Single : A 25 GLN : amide:sc= -3.9! C(o=-3.9!,f=-1.3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0543 USER MOD Single : A 33 ASN : amide:sc= -1.76! K(o=-1.8!,f=-0.014) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 37 SER OG : rot -33:sc= 0.465 USER MOD Single : A 39 ASN : amide:sc= -0.0295 X(o=-0.029,f=-0.48) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.0409 (180deg=-0.224) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 70 TYR OH : rot 150:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.956 X(o=-0.96,f=-0.79) USER MOD Single : A 85 GLN : amide:sc= -0.763 K(o=-0.76,f=-0.065) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 90 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.031) USER MOD Single : A 91 TYR OH : rot -158:sc= 0.7! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 106:sc= 0.937 USER MOD Single : A 103 LYS NZ :NH3+ -161:sc= -0.142 (180deg=-0.505) USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0411) USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0371) USER MOD Single : A 109 SER OG : rot 153:sc= 0.0406 USER MOD Single : A 110 GLN : amide:sc= -0.413 K(o=-0.41,f=-1.6) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0125) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1 X(o=-1,f=-0.59) USER MOD Single : A 125 ASN : amide:sc= 0.297 K(o=0.3,f=-0.6) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 8.874 3.945 7.330 1.00 10.32 N ATOM 308 CA MET A 22 8.226 4.484 6.138 1.00 52.20 C ATOM 309 C MET A 22 6.815 3.926 5.994 1.00 45.01 C ATOM 310 O MET A 22 5.904 4.629 5.551 1.00 64.22 O ATOM 311 CB MET A 22 9.052 4.149 4.888 1.00 40.31 C ATOM 312 CG MET A 22 10.471 4.699 4.925 1.00 74.21 C ATOM 313 SD MET A 22 10.526 6.504 4.888 1.00 0.33 S ATOM 314 CE MET A 22 9.871 6.834 3.252 1.00 44.34 C ATOM 0 HA MET A 22 8.162 5.567 6.243 1.00 52.20 H new ATOM 0 HB2 MET A 22 9.095 3.066 4.771 1.00 40.31 H new ATOM 0 HB3 MET A 22 8.542 4.544 4.010 1.00 40.31 H new ATOM 0 HG2 MET A 22 10.970 4.344 5.827 1.00 74.21 H new ATOM 0 HG3 MET A 22 11.030 4.306 4.076 1.00 74.21 H new ATOM 0 HE1 MET A 22 10.525 7.535 2.733 1.00 44.34 H new ATOM 0 HE2 MET A 22 9.816 5.903 2.687 1.00 44.34 H new ATOM 0 HE3 MET A 22 8.873 7.265 3.339 1.00 44.34 H new ATOM 324 N ILE A 23 6.640 2.661 6.368 1.00 72.25 N ATOM 325 CA ILE A 23 5.339 2.010 6.271 1.00 24.22 C ATOM 326 C ILE A 23 4.384 2.612 7.304 1.00 32.32 C ATOM 327 O ILE A 23 4.414 2.246 8.483 1.00 62.32 O ATOM 328 CB ILE A 23 5.427 0.473 6.486 1.00 11.43 C ATOM 329 CG1 ILE A 23 6.630 -0.135 5.741 1.00 4.32 C ATOM 330 CG2 ILE A 23 4.133 -0.200 6.035 1.00 24.42 C ATOM 331 CD1 ILE A 23 6.667 0.153 4.254 1.00 23.44 C ATOM 0 H ILE A 23 7.382 2.068 6.740 1.00 72.25 H new ATOM 0 HA ILE A 23 4.966 2.181 5.261 1.00 24.22 H new ATOM 0 HB ILE A 23 5.570 0.295 7.552 1.00 11.43 H new ATOM 0 HG12 ILE A 23 7.548 0.242 6.193 1.00 4.32 H new ATOM 0 HG13 ILE A 23 6.622 -1.215 5.888 1.00 4.32 H new ATOM 0 HG21 ILE A 23 4.209 -1.276 6.191 1.00 24.42 H new ATOM 0 HG22 ILE A 23 3.297 0.193 6.614 1.00 24.42 H new ATOM 0 HG23 ILE A 23 3.967 0.002 4.977 1.00 24.42 H new ATOM 0 HD11 ILE A 23 7.548 -0.315 3.815 1.00 23.44 H new ATOM 0 HD12 ILE A 23 5.770 -0.249 3.783 1.00 23.44 H new ATOM 0 HD13 ILE A 23 6.710 1.230 4.093 1.00 23.44 H new ATOM 343 N GLU A 24 3.560 3.552 6.860 1.00 75.53 N ATOM 344 CA GLU A 24 2.672 4.284 7.755 1.00 24.13 C ATOM 345 C GLU A 24 1.533 3.387 8.244 1.00 1.53 C ATOM 346 O GLU A 24 0.791 2.808 7.446 1.00 40.11 O ATOM 347 CB GLU A 24 2.103 5.518 7.042 1.00 3.24 C ATOM 348 CG GLU A 24 1.343 6.468 7.963 1.00 71.22 C ATOM 349 CD GLU A 24 2.253 7.215 8.926 1.00 73.24 C ATOM 350 OE1 GLU A 24 2.626 6.644 9.974 1.00 15.53 O ATOM 351 OE2 GLU A 24 2.599 8.381 8.642 1.00 52.32 O ATOM 0 H GLU A 24 3.488 3.827 5.880 1.00 75.53 H new ATOM 0 HA GLU A 24 3.249 4.608 8.621 1.00 24.13 H new ATOM 0 HB2 GLU A 24 2.921 6.062 6.570 1.00 3.24 H new ATOM 0 HB3 GLU A 24 1.436 5.190 6.245 1.00 3.24 H new ATOM 0 HG2 GLU A 24 0.793 7.189 7.358 1.00 71.22 H new ATOM 0 HG3 GLU A 24 0.606 5.901 8.533 1.00 71.22 H new ATOM 358 N GLN A 25 1.399 3.274 9.561 1.00 72.33 N ATOM 359 CA GLN A 25 0.344 2.461 10.159 1.00 52.33 C ATOM 360 C GLN A 25 -0.896 3.320 10.395 1.00 11.24 C ATOM 361 O GLN A 25 -0.811 4.413 10.964 1.00 71.34 O ATOM 362 CB GLN A 25 0.817 1.795 11.470 1.00 61.34 C ATOM 363 CG GLN A 25 1.067 2.751 12.640 1.00 23.14 C ATOM 364 CD GLN A 25 2.230 3.709 12.422 1.00 2.21 C ATOM 365 OE1 GLN A 25 2.218 4.832 12.923 1.00 35.54 O ATOM 366 NE2 GLN A 25 3.248 3.272 11.693 1.00 12.14 N ATOM 0 H GLN A 25 2.008 3.736 10.236 1.00 72.33 H new ATOM 0 HA GLN A 25 0.091 1.658 9.466 1.00 52.33 H new ATOM 0 HB2 GLN A 25 0.070 1.062 11.775 1.00 61.34 H new ATOM 0 HB3 GLN A 25 1.737 1.247 11.268 1.00 61.34 H new ATOM 0 HG2 GLN A 25 0.162 3.331 12.821 1.00 23.14 H new ATOM 0 HG3 GLN A 25 1.256 2.165 13.540 1.00 23.14 H new ATOM 0 HE21 GLN A 25 3.223 2.334 11.293 1.00 12.14 H new ATOM 0 HE22 GLN A 25 4.056 3.874 11.532 1.00 12.14 H new ATOM 375 N ILE A 26 -2.042 2.836 9.924 1.00 4.31 N ATOM 376 CA ILE A 26 -3.295 3.580 10.013 1.00 31.32 C ATOM 377 C ILE A 26 -4.460 2.642 10.318 1.00 61.54 C ATOM 378 O ILE A 26 -4.275 1.432 10.476 1.00 4.31 O ATOM 379 CB ILE A 26 -3.601 4.339 8.688 1.00 5.35 C ATOM 380 CG1 ILE A 26 -3.715 3.351 7.510 1.00 13.13 C ATOM 381 CG2 ILE A 26 -2.530 5.394 8.404 1.00 3.54 C ATOM 382 CD1 ILE A 26 -4.113 3.996 6.197 1.00 34.53 C ATOM 0 H ILE A 26 -2.129 1.925 9.474 1.00 4.31 H new ATOM 0 HA ILE A 26 -3.180 4.303 10.821 1.00 31.32 H new ATOM 0 HB ILE A 26 -4.557 4.849 8.803 1.00 5.35 H new ATOM 0 HG12 ILE A 26 -2.758 2.847 7.379 1.00 13.13 H new ATOM 0 HG13 ILE A 26 -4.447 2.584 7.762 1.00 13.13 H new ATOM 0 HG21 ILE A 26 -2.766 5.911 7.474 1.00 3.54 H new ATOM 0 HG22 ILE A 26 -2.503 6.114 9.222 1.00 3.54 H new ATOM 0 HG23 ILE A 26 -1.557 4.910 8.314 1.00 3.54 H new ATOM 0 HD11 ILE A 26 -4.171 3.234 5.420 1.00 34.53 H new ATOM 0 HD12 ILE A 26 -5.085 4.476 6.308 1.00 34.53 H new ATOM 0 HD13 ILE A 26 -3.369 4.742 5.918 1.00 34.53 H new ATOM 394 N GLY A 27 -5.650 3.215 10.424 1.00 71.21 N ATOM 395 CA GLY A 27 -6.866 2.437 10.534 1.00 75.44 C ATOM 396 C GLY A 27 -7.934 2.982 9.609 1.00 23.43 C ATOM 397 O GLY A 27 -7.683 3.936 8.870 1.00 74.32 O ATOM 0 H GLY A 27 -5.795 4.225 10.436 1.00 71.21 H new ATOM 0 HA2 GLY A 27 -6.661 1.395 10.287 1.00 75.44 H new ATOM 0 HA3 GLY A 27 -7.224 2.456 11.563 1.00 75.44 H new ATOM 401 N ASP A 28 -9.119 2.383 9.648 1.00 22.11 N ATOM 402 CA ASP A 28 -10.245 2.833 8.822 1.00 45.55 C ATOM 403 C ASP A 28 -10.498 4.328 9.010 1.00 75.44 C ATOM 404 O ASP A 28 -10.705 5.060 8.042 1.00 74.50 O ATOM 405 CB ASP A 28 -11.514 2.039 9.173 1.00 4.00 C ATOM 406 CG ASP A 28 -12.755 2.553 8.453 1.00 63.22 C ATOM 407 OD1 ASP A 28 -13.020 2.113 7.317 1.00 72.40 O ATOM 408 OD2 ASP A 28 -13.478 3.393 9.032 1.00 1.12 O ATOM 0 H ASP A 28 -9.330 1.582 10.243 1.00 22.11 H new ATOM 0 HA ASP A 28 -9.990 2.655 7.777 1.00 45.55 H new ATOM 0 HB2 ASP A 28 -11.362 0.990 8.919 1.00 4.00 H new ATOM 0 HB3 ASP A 28 -11.679 2.086 10.249 1.00 4.00 H new ATOM 413 N SER A 29 -10.448 4.775 10.261 1.00 0.04 N ATOM 414 CA SER A 29 -10.729 6.165 10.610 1.00 53.04 C ATOM 415 C SER A 29 -9.721 7.139 9.979 1.00 44.11 C ATOM 416 O SER A 29 -10.021 8.323 9.796 1.00 41.32 O ATOM 417 CB SER A 29 -10.750 6.309 12.139 1.00 60.32 C ATOM 418 OG SER A 29 -9.728 5.529 12.742 1.00 72.42 O ATOM 0 H SER A 29 -10.212 4.186 11.060 1.00 0.04 H new ATOM 0 HA SER A 29 -11.706 6.428 10.205 1.00 53.04 H new ATOM 0 HB2 SER A 29 -10.619 7.357 12.410 1.00 60.32 H new ATOM 0 HB3 SER A 29 -11.722 5.999 12.523 1.00 60.32 H new ATOM 0 HG SER A 29 -9.763 5.640 13.715 1.00 72.42 H new ATOM 424 N GLU A 30 -8.527 6.643 9.660 1.00 64.53 N ATOM 425 CA GLU A 30 -7.486 7.461 9.034 1.00 53.05 C ATOM 426 C GLU A 30 -7.478 7.276 7.520 1.00 24.53 C ATOM 427 O GLU A 30 -7.178 8.215 6.782 1.00 71.21 O ATOM 428 CB GLU A 30 -6.096 7.082 9.576 1.00 54.52 C ATOM 429 CG GLU A 30 -5.864 7.420 11.043 1.00 61.42 C ATOM 430 CD GLU A 30 -6.778 6.660 11.980 1.00 5.04 C ATOM 431 OE1 GLU A 30 -6.893 5.425 11.838 1.00 25.11 O ATOM 432 OE2 GLU A 30 -7.399 7.293 12.857 1.00 41.54 O ATOM 0 H GLU A 30 -8.254 5.674 9.825 1.00 64.53 H new ATOM 0 HA GLU A 30 -7.708 8.501 9.273 1.00 53.05 H new ATOM 0 HB2 GLU A 30 -5.948 6.011 9.437 1.00 54.52 H new ATOM 0 HB3 GLU A 30 -5.339 7.588 8.978 1.00 54.52 H new ATOM 0 HG2 GLU A 30 -4.827 7.202 11.300 1.00 61.42 H new ATOM 0 HG3 GLU A 30 -6.011 8.490 11.191 1.00 61.42 H new ATOM 439 N PHE A 31 -7.827 6.067 7.078 1.00 51.34 N ATOM 440 CA PHE A 31 -7.614 5.622 5.696 1.00 74.54 C ATOM 441 C PHE A 31 -7.932 6.708 4.661 1.00 4.14 C ATOM 442 O PHE A 31 -7.042 7.142 3.925 1.00 32.14 O ATOM 443 CB PHE A 31 -8.445 4.363 5.416 1.00 4.20 C ATOM 444 CG PHE A 31 -8.235 3.797 4.031 1.00 53.40 C ATOM 445 CD1 PHE A 31 -7.114 3.031 3.743 1.00 63.21 C ATOM 446 CD2 PHE A 31 -9.155 4.034 3.019 1.00 64.32 C ATOM 447 CE1 PHE A 31 -6.916 2.515 2.476 1.00 10.32 C ATOM 448 CE2 PHE A 31 -8.960 3.521 1.753 1.00 3.54 C ATOM 449 CZ PHE A 31 -7.840 2.761 1.482 1.00 14.42 C ATOM 0 H PHE A 31 -8.268 5.363 7.670 1.00 51.34 H new ATOM 0 HA PHE A 31 -6.553 5.395 5.596 1.00 74.54 H new ATOM 0 HB2 PHE A 31 -8.194 3.600 6.153 1.00 4.20 H new ATOM 0 HB3 PHE A 31 -9.501 4.598 5.547 1.00 4.20 H new ATOM 0 HD1 PHE A 31 -6.388 2.836 4.518 1.00 63.21 H new ATOM 0 HD2 PHE A 31 -10.034 4.627 3.225 1.00 64.32 H new ATOM 0 HE1 PHE A 31 -6.040 1.920 2.265 1.00 10.32 H new ATOM 0 HE2 PHE A 31 -9.683 3.714 0.975 1.00 3.54 H new ATOM 0 HZ PHE A 31 -7.687 2.359 0.491 1.00 14.42 H new ATOM 459 N ASP A 32 -9.188 7.153 4.625 1.00 24.53 N ATOM 460 CA ASP A 32 -9.630 8.134 3.626 1.00 52.33 C ATOM 461 C ASP A 32 -8.735 9.365 3.633 1.00 4.31 C ATOM 462 O ASP A 32 -8.240 9.786 2.592 1.00 43.11 O ATOM 463 CB ASP A 32 -11.086 8.549 3.873 1.00 71.11 C ATOM 464 CG ASP A 32 -11.565 9.631 2.910 1.00 75.41 C ATOM 465 OD1 ASP A 32 -11.319 10.828 3.181 1.00 24.33 O ATOM 466 OD2 ASP A 32 -12.193 9.288 1.885 1.00 20.23 O ATOM 0 H ASP A 32 -9.917 6.853 5.272 1.00 24.53 H new ATOM 0 HA ASP A 32 -9.561 7.658 2.648 1.00 52.33 H new ATOM 0 HB2 ASP A 32 -11.729 7.674 3.778 1.00 71.11 H new ATOM 0 HB3 ASP A 32 -11.187 8.910 4.897 1.00 71.11 H new ATOM 471 N ASN A 33 -8.518 9.919 4.816 1.00 61.44 N ATOM 472 CA ASN A 33 -7.721 11.133 4.977 1.00 63.35 C ATOM 473 C ASN A 33 -6.298 10.915 4.475 1.00 23.33 C ATOM 474 O ASN A 33 -5.794 11.674 3.646 1.00 64.54 O ATOM 475 CB ASN A 33 -7.703 11.557 6.453 1.00 44.24 C ATOM 476 CG ASN A 33 -9.008 12.191 6.918 1.00 30.44 C ATOM 477 OD1 ASN A 33 -9.017 12.976 7.863 1.00 65.44 O ATOM 478 ND2 ASN A 33 -10.115 11.866 6.261 1.00 11.13 N ATOM 0 H ASN A 33 -8.886 9.544 5.690 1.00 61.44 H new ATOM 0 HA ASN A 33 -8.175 11.927 4.384 1.00 63.35 H new ATOM 0 HB2 ASN A 33 -7.491 10.684 7.071 1.00 44.24 H new ATOM 0 HB3 ASN A 33 -6.888 12.264 6.610 1.00 44.24 H new ATOM 0 HD21 ASN A 33 -11.009 12.272 6.537 1.00 11.13 H new ATOM 0 HD22 ASN A 33 -10.071 11.211 5.481 1.00 11.13 H new ATOM 485 N LYS A 34 -5.671 9.849 4.959 1.00 63.34 N ATOM 486 CA LYS A 34 -4.281 9.545 4.630 1.00 11.04 C ATOM 487 C LYS A 34 -4.100 9.365 3.121 1.00 60.02 C ATOM 488 O LYS A 34 -3.081 9.764 2.556 1.00 34.42 O ATOM 489 CB LYS A 34 -3.843 8.274 5.365 1.00 65.12 C ATOM 490 CG LYS A 34 -4.015 8.347 6.880 1.00 13.33 C ATOM 491 CD LYS A 34 -2.956 9.222 7.557 1.00 51.11 C ATOM 492 CE LYS A 34 -3.182 9.292 9.066 1.00 25.13 C ATOM 493 NZ LYS A 34 -2.042 9.915 9.790 1.00 53.44 N ATOM 0 H LYS A 34 -6.108 9.174 5.587 1.00 63.34 H new ATOM 0 HA LYS A 34 -3.660 10.383 4.948 1.00 11.04 H new ATOM 0 HB2 LYS A 34 -4.417 7.429 4.984 1.00 65.12 H new ATOM 0 HB3 LYS A 34 -2.796 8.076 5.137 1.00 65.12 H new ATOM 0 HG2 LYS A 34 -5.005 8.740 7.110 1.00 13.33 H new ATOM 0 HG3 LYS A 34 -3.967 7.340 7.295 1.00 13.33 H new ATOM 0 HD2 LYS A 34 -1.964 8.820 7.353 1.00 51.11 H new ATOM 0 HD3 LYS A 34 -2.986 10.226 7.135 1.00 51.11 H new ATOM 0 HE2 LYS A 34 -4.089 9.862 9.267 1.00 25.13 H new ATOM 0 HE3 LYS A 34 -3.345 8.286 9.452 1.00 25.13 H new ATOM 0 HZ1 LYS A 34 -2.248 9.937 10.809 1.00 53.44 H new ATOM 0 HZ2 LYS A 34 -1.179 9.359 9.623 1.00 53.44 H new ATOM 0 HZ3 LYS A 34 -1.900 10.886 9.445 1.00 53.44 H new ATOM 507 N VAL A 35 -5.102 8.769 2.477 1.00 55.34 N ATOM 508 CA VAL A 35 -5.052 8.520 1.041 1.00 13.21 C ATOM 509 C VAL A 35 -5.359 9.791 0.245 1.00 33.21 C ATOM 510 O VAL A 35 -4.565 10.208 -0.600 1.00 11.52 O ATOM 511 CB VAL A 35 -6.037 7.398 0.624 1.00 51.33 C ATOM 512 CG1 VAL A 35 -6.036 7.200 -0.892 1.00 3.51 C ATOM 513 CG2 VAL A 35 -5.698 6.089 1.337 1.00 5.41 C ATOM 0 H VAL A 35 -5.959 8.450 2.929 1.00 55.34 H new ATOM 0 HA VAL A 35 -4.036 8.196 0.813 1.00 13.21 H new ATOM 0 HB VAL A 35 -7.039 7.704 0.923 1.00 51.33 H new ATOM 0 HG11 VAL A 35 -6.736 6.407 -1.156 1.00 3.51 H new ATOM 0 HG12 VAL A 35 -6.337 8.127 -1.380 1.00 3.51 H new ATOM 0 HG13 VAL A 35 -5.034 6.925 -1.222 1.00 3.51 H new ATOM 0 HG21 VAL A 35 -6.401 5.315 1.030 1.00 5.41 H new ATOM 0 HG22 VAL A 35 -4.685 5.784 1.075 1.00 5.41 H new ATOM 0 HG23 VAL A 35 -5.766 6.234 2.415 1.00 5.41 H new ATOM 523 N THR A 36 -6.502 10.413 0.527 1.00 23.21 N ATOM 524 CA THR A 36 -6.933 11.593 -0.224 1.00 44.11 C ATOM 525 C THR A 36 -5.954 12.757 -0.053 1.00 12.12 C ATOM 526 O THR A 36 -5.850 13.624 -0.927 1.00 42.42 O ATOM 527 CB THR A 36 -8.355 12.045 0.191 1.00 63.31 C ATOM 528 OG1 THR A 36 -8.409 12.283 1.605 1.00 5.13 O ATOM 529 CG2 THR A 36 -9.399 11.000 -0.195 1.00 62.04 C ATOM 0 H THR A 36 -7.144 10.123 1.265 1.00 23.21 H new ATOM 0 HA THR A 36 -6.952 11.303 -1.275 1.00 44.11 H new ATOM 0 HB THR A 36 -8.580 12.970 -0.340 1.00 63.31 H new ATOM 0 HG1 THR A 36 -8.565 11.436 2.074 1.00 5.13 H new ATOM 0 HG21 THR A 36 -10.388 11.344 0.109 1.00 62.04 H new ATOM 0 HG22 THR A 36 -9.382 10.851 -1.275 1.00 62.04 H new ATOM 0 HG23 THR A 36 -9.173 10.058 0.305 1.00 62.04 H new ATOM 537 N SER A 37 -5.226 12.766 1.066 1.00 30.43 N ATOM 538 CA SER A 37 -4.270 13.832 1.358 1.00 64.21 C ATOM 539 C SER A 37 -2.990 13.692 0.519 1.00 62.40 C ATOM 540 O SER A 37 -2.036 14.450 0.716 1.00 55.12 O ATOM 541 CB SER A 37 -3.931 13.845 2.859 1.00 73.41 C ATOM 542 OG SER A 37 -3.191 15.004 3.216 1.00 2.34 O ATOM 0 H SER A 37 -5.282 12.045 1.785 1.00 30.43 H new ATOM 0 HA SER A 37 -4.736 14.780 1.090 1.00 64.21 H new ATOM 0 HB2 SER A 37 -4.852 13.806 3.441 1.00 73.41 H new ATOM 0 HB3 SER A 37 -3.357 12.954 3.111 1.00 73.41 H new ATOM 0 HG SER A 37 -2.620 15.271 2.466 1.00 2.34 H new ATOM 548 N CYS A 38 -2.961 12.729 -0.412 1.00 44.53 N ATOM 549 CA CYS A 38 -1.819 12.583 -1.311 1.00 2.41 C ATOM 550 C CYS A 38 -1.672 13.838 -2.173 1.00 13.03 C ATOM 551 O CYS A 38 -2.673 14.423 -2.599 1.00 4.13 O ATOM 552 CB CYS A 38 -1.986 11.338 -2.193 1.00 3.32 C ATOM 553 SG CYS A 38 -3.508 11.316 -3.169 1.00 11.15 S ATOM 0 H CYS A 38 -3.707 12.049 -0.558 1.00 44.53 H new ATOM 0 HA CYS A 38 -0.914 12.459 -0.716 1.00 2.41 H new ATOM 0 HB2 CYS A 38 -1.134 11.269 -2.869 1.00 3.32 H new ATOM 0 HB3 CYS A 38 -1.962 10.452 -1.559 1.00 3.32 H new ATOM 0 HG CYS A 38 -4.476 10.827 -2.452 1.00 11.15 H new ATOM 559 N ASN A 39 -0.429 14.260 -2.404 1.00 61.14 N ATOM 560 CA ASN A 39 -0.148 15.466 -3.185 1.00 53.21 C ATOM 561 C ASN A 39 -0.742 15.354 -4.594 1.00 61.31 C ATOM 562 O ASN A 39 -1.843 15.847 -4.850 1.00 21.33 O ATOM 563 CB ASN A 39 1.367 15.720 -3.249 1.00 3.12 C ATOM 564 CG ASN A 39 1.732 16.904 -4.130 1.00 0.45 C ATOM 565 OD1 ASN A 39 0.968 17.860 -4.258 1.00 55.35 O ATOM 566 ND2 ASN A 39 2.900 16.846 -4.747 1.00 50.02 N ATOM 0 H ASN A 39 0.404 13.782 -2.060 1.00 61.14 H new ATOM 0 HA ASN A 39 -0.619 16.315 -2.689 1.00 53.21 H new ATOM 0 HB2 ASN A 39 1.744 15.894 -2.241 1.00 3.12 H new ATOM 0 HB3 ASN A 39 1.864 14.826 -3.626 1.00 3.12 H new ATOM 0 HD21 ASN A 39 3.195 17.611 -5.354 1.00 50.02 H new ATOM 0 HD22 ASN A 39 3.506 16.036 -4.616 1.00 50.02 H new ATOM 573 N ASP A 40 -0.011 14.711 -5.501 1.00 11.20 N ATOM 574 CA ASP A 40 -0.517 14.425 -6.841 1.00 73.50 C ATOM 575 C ASP A 40 0.330 13.326 -7.469 1.00 35.33 C ATOM 576 O ASP A 40 1.492 13.167 -7.104 1.00 72.23 O ATOM 577 CB ASP A 40 -0.515 15.681 -7.730 1.00 24.34 C ATOM 578 CG ASP A 40 -1.388 15.506 -8.966 1.00 3.51 C ATOM 579 OD1 ASP A 40 -2.612 15.749 -8.873 1.00 72.43 O ATOM 580 OD2 ASP A 40 -0.866 15.106 -10.030 1.00 35.21 O ATOM 0 H ASP A 40 0.938 14.377 -5.331 1.00 11.20 H new ATOM 0 HA ASP A 40 -1.552 14.093 -6.758 1.00 73.50 H new ATOM 0 HB2 ASP A 40 -0.871 16.534 -7.153 1.00 24.34 H new ATOM 0 HB3 ASP A 40 0.506 15.907 -8.036 1.00 24.34 H new ATOM 585 N ASN A 41 -0.271 12.560 -8.384 1.00 72.10 N ATOM 586 CA ASN A 41 0.384 11.419 -9.056 1.00 75.14 C ATOM 587 C ASN A 41 1.144 10.513 -8.078 1.00 42.34 C ATOM 588 O ASN A 41 2.031 9.758 -8.488 1.00 65.11 O ATOM 589 CB ASN A 41 1.328 11.878 -10.194 1.00 12.52 C ATOM 590 CG ASN A 41 2.551 12.657 -9.719 1.00 53.32 C ATOM 591 OD1 ASN A 41 2.560 13.887 -9.719 1.00 14.32 O ATOM 592 ND2 ASN A 41 3.589 11.945 -9.300 1.00 40.20 N ATOM 0 H ASN A 41 -1.234 12.710 -8.686 1.00 72.10 H new ATOM 0 HA ASN A 41 -0.425 10.834 -9.493 1.00 75.14 H new ATOM 0 HB2 ASN A 41 1.663 11.001 -10.748 1.00 12.52 H new ATOM 0 HB3 ASN A 41 0.764 12.499 -10.890 1.00 12.52 H new ATOM 0 HD21 ASN A 41 4.429 12.417 -8.964 1.00 40.20 H new ATOM 0 HD22 ASN A 41 3.547 10.926 -9.314 1.00 40.20 H new ATOM 599 N ILE A 42 0.770 10.564 -6.798 1.00 70.02 N ATOM 600 CA ILE A 42 1.424 9.762 -5.768 1.00 24.10 C ATOM 601 C ILE A 42 0.860 8.344 -5.759 1.00 75.31 C ATOM 602 O ILE A 42 -0.360 8.152 -5.694 1.00 3.22 O ATOM 603 CB ILE A 42 1.251 10.386 -4.353 1.00 21.43 C ATOM 604 CG1 ILE A 42 1.875 11.794 -4.292 1.00 51.12 C ATOM 605 CG2 ILE A 42 1.859 9.479 -3.277 1.00 2.21 C ATOM 606 CD1 ILE A 42 3.358 11.830 -4.604 1.00 12.23 C ATOM 0 H ILE A 42 0.015 11.155 -6.451 1.00 70.02 H new ATOM 0 HA ILE A 42 2.487 9.738 -6.008 1.00 24.10 H new ATOM 0 HB ILE A 42 0.183 10.479 -4.157 1.00 21.43 H new ATOM 0 HG12 ILE A 42 1.351 12.442 -4.995 1.00 51.12 H new ATOM 0 HG13 ILE A 42 1.714 12.208 -3.296 1.00 51.12 H new ATOM 0 HG21 ILE A 42 1.725 9.937 -2.297 1.00 2.21 H new ATOM 0 HG22 ILE A 42 1.362 8.509 -3.295 1.00 2.21 H new ATOM 0 HG23 ILE A 42 2.923 9.345 -3.473 1.00 2.21 H new ATOM 0 HD11 ILE A 42 3.719 12.857 -4.539 1.00 12.23 H new ATOM 0 HD12 ILE A 42 3.896 11.211 -3.886 1.00 12.23 H new ATOM 0 HD13 ILE A 42 3.527 11.449 -5.611 1.00 12.23 H new ATOM 618 N LEU A 43 1.748 7.360 -5.841 1.00 63.52 N ATOM 619 CA LEU A 43 1.360 5.962 -5.760 1.00 31.44 C ATOM 620 C LEU A 43 1.353 5.505 -4.305 1.00 11.20 C ATOM 621 O LEU A 43 2.402 5.370 -3.675 1.00 55.12 O ATOM 622 CB LEU A 43 2.304 5.086 -6.596 1.00 20.21 C ATOM 623 CG LEU A 43 2.095 3.568 -6.446 1.00 51.10 C ATOM 624 CD1 LEU A 43 0.659 3.166 -6.792 1.00 44.03 C ATOM 625 CD2 LEU A 43 3.099 2.798 -7.302 1.00 15.21 C ATOM 0 H LEU A 43 2.749 7.510 -5.965 1.00 63.52 H new ATOM 0 HA LEU A 43 0.354 5.857 -6.166 1.00 31.44 H new ATOM 0 HB2 LEU A 43 2.184 5.351 -7.647 1.00 20.21 H new ATOM 0 HB3 LEU A 43 3.332 5.324 -6.322 1.00 20.21 H new ATOM 0 HG LEU A 43 2.267 3.309 -5.401 1.00 51.10 H new ATOM 0 HD11 LEU A 43 0.545 2.088 -6.676 1.00 44.03 H new ATOM 0 HD12 LEU A 43 -0.033 3.678 -6.124 1.00 44.03 H new ATOM 0 HD13 LEU A 43 0.441 3.445 -7.823 1.00 44.03 H new ATOM 0 HD21 LEU A 43 2.934 1.727 -7.182 1.00 15.21 H new ATOM 0 HD22 LEU A 43 2.968 3.070 -8.349 1.00 15.21 H new ATOM 0 HD23 LEU A 43 4.112 3.047 -6.987 1.00 15.21 H new ATOM 637 N ILE A 44 0.160 5.292 -3.778 1.00 24.11 N ATOM 638 CA ILE A 44 -0.014 4.824 -2.413 1.00 63.40 C ATOM 639 C ILE A 44 -0.318 3.331 -2.399 1.00 22.20 C ATOM 640 O ILE A 44 -1.355 2.897 -2.903 1.00 0.40 O ATOM 641 CB ILE A 44 -1.155 5.590 -1.696 1.00 72.33 C ATOM 642 CG1 ILE A 44 -0.785 7.074 -1.540 1.00 72.50 C ATOM 643 CG2 ILE A 44 -1.471 4.961 -0.339 1.00 25.20 C ATOM 644 CD1 ILE A 44 -1.835 7.895 -0.817 1.00 0.21 C ATOM 0 H ILE A 44 -0.714 5.438 -4.283 1.00 24.11 H new ATOM 0 HA ILE A 44 0.918 5.011 -1.879 1.00 63.40 H new ATOM 0 HB ILE A 44 -2.053 5.520 -2.310 1.00 72.33 H new ATOM 0 HG12 ILE A 44 0.158 7.148 -0.998 1.00 72.50 H new ATOM 0 HG13 ILE A 44 -0.619 7.503 -2.528 1.00 72.50 H new ATOM 0 HG21 ILE A 44 -2.275 5.518 0.142 1.00 25.20 H new ATOM 0 HG22 ILE A 44 -1.782 3.926 -0.481 1.00 25.20 H new ATOM 0 HG23 ILE A 44 -0.582 4.990 0.291 1.00 25.20 H new ATOM 0 HD11 ILE A 44 -1.502 8.930 -0.746 1.00 0.21 H new ATOM 0 HD12 ILE A 44 -2.774 7.853 -1.369 1.00 0.21 H new ATOM 0 HD13 ILE A 44 -1.985 7.493 0.185 1.00 0.21 H new ATOM 656 N LEU A 45 0.597 2.547 -1.843 1.00 54.24 N ATOM 657 CA LEU A 45 0.369 1.117 -1.663 1.00 70.13 C ATOM 658 C LEU A 45 -0.067 0.857 -0.229 1.00 31.43 C ATOM 659 O LEU A 45 0.662 1.173 0.707 1.00 41.33 O ATOM 660 CB LEU A 45 1.628 0.282 -1.967 1.00 65.21 C ATOM 661 CG LEU A 45 2.140 0.339 -3.413 1.00 23.53 C ATOM 662 CD1 LEU A 45 2.876 1.649 -3.679 1.00 3.42 C ATOM 663 CD2 LEU A 45 3.035 -0.862 -3.713 1.00 3.34 C ATOM 0 H LEU A 45 1.503 2.876 -1.509 1.00 54.24 H new ATOM 0 HA LEU A 45 -0.407 0.815 -2.366 1.00 70.13 H new ATOM 0 HB2 LEU A 45 2.428 0.614 -1.306 1.00 65.21 H new ATOM 0 HB3 LEU A 45 1.419 -0.758 -1.717 1.00 65.21 H new ATOM 0 HG LEU A 45 1.280 0.298 -4.082 1.00 23.53 H new ATOM 0 HD11 LEU A 45 3.229 1.665 -4.710 1.00 3.42 H new ATOM 0 HD12 LEU A 45 2.199 2.487 -3.514 1.00 3.42 H new ATOM 0 HD13 LEU A 45 3.727 1.732 -3.003 1.00 3.42 H new ATOM 0 HD21 LEU A 45 3.388 -0.804 -4.743 1.00 3.34 H new ATOM 0 HD22 LEU A 45 3.889 -0.858 -3.035 1.00 3.34 H new ATOM 0 HD23 LEU A 45 2.467 -1.782 -3.575 1.00 3.34 H new ATOM 675 N VAL A 46 -1.262 0.323 -0.057 1.00 54.11 N ATOM 676 CA VAL A 46 -1.748 -0.056 1.262 1.00 13.52 C ATOM 677 C VAL A 46 -1.684 -1.570 1.426 1.00 54.32 C ATOM 678 O VAL A 46 -2.498 -2.298 0.850 1.00 23.12 O ATOM 679 CB VAL A 46 -3.199 0.441 1.503 1.00 35.42 C ATOM 680 CG1 VAL A 46 -3.698 0.027 2.887 1.00 42.20 C ATOM 681 CG2 VAL A 46 -3.289 1.957 1.324 1.00 42.42 C ATOM 0 H VAL A 46 -1.918 0.140 -0.816 1.00 54.11 H new ATOM 0 HA VAL A 46 -1.105 0.419 2.002 1.00 13.52 H new ATOM 0 HB VAL A 46 -3.843 -0.029 0.760 1.00 35.42 H new ATOM 0 HG11 VAL A 46 -4.717 0.388 3.030 1.00 42.20 H new ATOM 0 HG12 VAL A 46 -3.683 -1.060 2.969 1.00 42.20 H new ATOM 0 HG13 VAL A 46 -3.050 0.457 3.651 1.00 42.20 H new ATOM 0 HG21 VAL A 46 -4.314 2.284 1.497 1.00 42.42 H new ATOM 0 HG22 VAL A 46 -2.626 2.448 2.037 1.00 42.42 H new ATOM 0 HG23 VAL A 46 -2.991 2.222 0.310 1.00 42.42 H new ATOM 691 N ASP A 47 -0.710 -2.048 2.192 1.00 21.22 N ATOM 692 CA ASP A 47 -0.541 -3.485 2.391 1.00 53.11 C ATOM 693 C ASP A 47 -1.426 -3.975 3.536 1.00 34.33 C ATOM 694 O ASP A 47 -1.843 -3.194 4.394 1.00 62.31 O ATOM 695 CB ASP A 47 0.931 -3.843 2.664 1.00 74.40 C ATOM 696 CG ASP A 47 1.420 -3.412 4.042 1.00 54.44 C ATOM 697 OD1 ASP A 47 1.255 -4.195 5.008 1.00 71.12 O ATOM 698 OD2 ASP A 47 1.978 -2.302 4.158 1.00 20.03 O ATOM 0 H ASP A 47 -0.029 -1.468 2.683 1.00 21.22 H new ATOM 0 HA ASP A 47 -0.845 -3.986 1.472 1.00 53.11 H new ATOM 0 HB2 ASP A 47 1.058 -4.921 2.564 1.00 74.40 H new ATOM 0 HB3 ASP A 47 1.557 -3.376 1.903 1.00 74.40 H new ATOM 703 N PHE A 48 -1.744 -5.263 3.519 1.00 40.31 N ATOM 704 CA PHE A 48 -2.481 -5.889 4.609 1.00 40.02 C ATOM 705 C PHE A 48 -1.546 -6.826 5.372 1.00 64.11 C ATOM 706 O PHE A 48 -1.580 -8.041 5.189 1.00 35.52 O ATOM 707 CB PHE A 48 -3.714 -6.644 4.072 1.00 74.31 C ATOM 708 CG PHE A 48 -4.675 -7.110 5.144 1.00 23.11 C ATOM 709 CD1 PHE A 48 -5.400 -6.189 5.889 1.00 53.11 C ATOM 710 CD2 PHE A 48 -4.863 -8.463 5.398 1.00 30.12 C ATOM 711 CE1 PHE A 48 -6.288 -6.606 6.863 1.00 33.25 C ATOM 712 CE2 PHE A 48 -5.750 -8.884 6.373 1.00 71.32 C ATOM 713 CZ PHE A 48 -6.463 -7.954 7.105 1.00 33.43 C ATOM 0 H PHE A 48 -1.501 -5.897 2.758 1.00 40.31 H new ATOM 0 HA PHE A 48 -2.845 -5.120 5.291 1.00 40.02 H new ATOM 0 HB2 PHE A 48 -4.249 -5.995 3.378 1.00 74.31 H new ATOM 0 HB3 PHE A 48 -3.376 -7.510 3.503 1.00 74.31 H new ATOM 0 HD1 PHE A 48 -5.268 -5.133 5.705 1.00 53.11 H new ATOM 0 HD2 PHE A 48 -4.310 -9.195 4.828 1.00 30.12 H new ATOM 0 HE1 PHE A 48 -6.845 -5.878 7.434 1.00 33.25 H new ATOM 0 HE2 PHE A 48 -5.885 -9.939 6.562 1.00 71.32 H new ATOM 0 HZ PHE A 48 -7.156 -8.281 7.866 1.00 33.43 H new ATOM 836 N ARG A 57 8.889 -10.862 7.427 1.00 23.22 N ATOM 837 CA ARG A 57 10.271 -10.512 7.751 1.00 3.35 C ATOM 838 C ARG A 57 10.993 -9.969 6.517 1.00 41.10 C ATOM 839 O ARG A 57 11.761 -9.022 6.614 1.00 4.43 O ATOM 840 CB ARG A 57 11.010 -11.742 8.319 1.00 64.11 C ATOM 841 CG ARG A 57 12.213 -11.410 9.213 1.00 1.45 C ATOM 842 CD ARG A 57 13.424 -10.898 8.432 1.00 75.45 C ATOM 843 NE ARG A 57 14.492 -10.438 9.325 1.00 21.42 N ATOM 844 CZ ARG A 57 15.688 -10.002 8.918 1.00 73.02 C ATOM 845 NH1 ARG A 57 16.013 -10.010 7.626 1.00 42.00 N ATOM 846 NH2 ARG A 57 16.567 -9.569 9.813 1.00 62.31 N ATOM 0 HA ARG A 57 10.264 -9.729 8.510 1.00 3.35 H new ATOM 0 HB2 ARG A 57 10.303 -12.341 8.892 1.00 64.11 H new ATOM 0 HB3 ARG A 57 11.351 -12.360 7.488 1.00 64.11 H new ATOM 0 HG2 ARG A 57 11.917 -10.658 9.944 1.00 1.45 H new ATOM 0 HG3 ARG A 57 12.500 -12.302 9.771 1.00 1.45 H new ATOM 0 HD2 ARG A 57 13.804 -11.692 7.789 1.00 75.45 H new ATOM 0 HD3 ARG A 57 13.117 -10.080 7.780 1.00 75.45 H new ATOM 0 HE ARG A 57 14.309 -10.452 10.328 1.00 21.42 H new ATOM 0 HH11 ARG A 57 15.346 -10.352 6.934 1.00 42.00 H new ATOM 0 HH12 ARG A 57 16.929 -9.674 7.328 1.00 42.00 H new ATOM 0 HH21 ARG A 57 16.328 -9.570 10.805 1.00 62.31 H new ATOM 0 HH22 ARG A 57 17.482 -9.235 9.509 1.00 62.31 H new ATOM 860 N SER A 58 10.765 -10.597 5.373 1.00 42.42 N ATOM 861 CA SER A 58 11.318 -10.120 4.110 1.00 15.11 C ATOM 862 C SER A 58 10.555 -8.890 3.593 1.00 62.43 C ATOM 863 O SER A 58 11.132 -7.809 3.383 1.00 42.02 O ATOM 864 CB SER A 58 11.271 -11.249 3.074 1.00 12.41 C ATOM 865 OG SER A 58 11.880 -12.422 3.585 1.00 34.22 O ATOM 0 H SER A 58 10.199 -11.442 5.291 1.00 42.42 H new ATOM 0 HA SER A 58 12.352 -9.820 4.277 1.00 15.11 H new ATOM 0 HB2 SER A 58 10.236 -11.459 2.804 1.00 12.41 H new ATOM 0 HB3 SER A 58 11.781 -10.935 2.163 1.00 12.41 H new ATOM 0 HG SER A 58 11.839 -13.132 2.911 1.00 34.22 H new ATOM 871 N LEU A 59 9.246 -9.060 3.416 1.00 74.53 N ATOM 872 CA LEU A 59 8.421 -8.082 2.710 1.00 65.15 C ATOM 873 C LEU A 59 8.429 -6.708 3.385 1.00 65.44 C ATOM 874 O LEU A 59 8.537 -5.698 2.698 1.00 20.22 O ATOM 875 CB LEU A 59 6.979 -8.600 2.536 1.00 61.11 C ATOM 876 CG LEU A 59 6.772 -9.635 1.410 1.00 15.21 C ATOM 877 CD1 LEU A 59 7.108 -9.027 0.049 1.00 3.20 C ATOM 878 CD2 LEU A 59 7.597 -10.898 1.659 1.00 12.42 C ATOM 0 H LEU A 59 8.731 -9.873 3.755 1.00 74.53 H new ATOM 0 HA LEU A 59 8.865 -7.951 1.723 1.00 65.15 H new ATOM 0 HB2 LEU A 59 6.656 -9.045 3.477 1.00 61.11 H new ATOM 0 HB3 LEU A 59 6.327 -7.748 2.346 1.00 61.11 H new ATOM 0 HG LEU A 59 5.720 -9.920 1.408 1.00 15.21 H new ATOM 0 HD11 LEU A 59 6.955 -9.773 -0.731 1.00 3.20 H new ATOM 0 HD12 LEU A 59 6.460 -8.170 -0.137 1.00 3.20 H new ATOM 0 HD13 LEU A 59 8.149 -8.703 0.042 1.00 3.20 H new ATOM 0 HD21 LEU A 59 7.430 -11.608 0.849 1.00 12.42 H new ATOM 0 HD22 LEU A 59 8.655 -10.639 1.702 1.00 12.42 H new ATOM 0 HD23 LEU A 59 7.295 -11.349 2.604 1.00 12.42 H new ATOM 890 N GLU A 60 8.336 -6.665 4.715 1.00 51.01 N ATOM 891 CA GLU A 60 8.287 -5.384 5.429 1.00 23.52 C ATOM 892 C GLU A 60 9.507 -4.507 5.086 1.00 64.41 C ATOM 893 O GLU A 60 9.339 -3.404 4.565 1.00 3.41 O ATOM 894 CB GLU A 60 8.160 -5.583 6.953 1.00 63.44 C ATOM 895 CG GLU A 60 6.816 -6.154 7.391 1.00 34.52 C ATOM 896 CD GLU A 60 6.697 -6.287 8.903 1.00 11.13 C ATOM 897 OE1 GLU A 60 6.354 -5.288 9.574 1.00 43.02 O ATOM 898 OE2 GLU A 60 6.943 -7.392 9.432 1.00 4.20 O ATOM 0 H GLU A 60 8.293 -7.489 5.315 1.00 51.01 H new ATOM 0 HA GLU A 60 7.391 -4.862 5.092 1.00 23.52 H new ATOM 0 HB2 GLU A 60 8.954 -6.249 7.290 1.00 63.44 H new ATOM 0 HB3 GLU A 60 8.316 -4.625 7.449 1.00 63.44 H new ATOM 0 HG2 GLU A 60 6.016 -5.512 7.023 1.00 34.52 H new ATOM 0 HG3 GLU A 60 6.675 -7.133 6.932 1.00 34.52 H new ATOM 905 N PRO A 61 10.758 -4.971 5.342 1.00 65.44 N ATOM 906 CA PRO A 61 11.954 -4.189 5.006 1.00 21.42 C ATOM 907 C PRO A 61 12.115 -3.974 3.498 1.00 63.43 C ATOM 908 O PRO A 61 12.635 -2.940 3.078 1.00 45.43 O ATOM 909 CB PRO A 61 13.117 -5.013 5.575 1.00 51.11 C ATOM 910 CG PRO A 61 12.584 -6.394 5.685 1.00 54.12 C ATOM 911 CD PRO A 61 11.114 -6.249 5.985 1.00 43.20 C ATOM 0 HA PRO A 61 11.902 -3.183 5.423 1.00 21.42 H new ATOM 0 HB2 PRO A 61 13.987 -4.976 4.919 1.00 51.11 H new ATOM 0 HB3 PRO A 61 13.434 -4.633 6.546 1.00 51.11 H new ATOM 0 HG2 PRO A 61 12.741 -6.948 4.759 1.00 54.12 H new ATOM 0 HG3 PRO A 61 13.091 -6.946 6.476 1.00 54.12 H new ATOM 0 HD2 PRO A 61 10.537 -7.079 5.577 1.00 43.20 H new ATOM 0 HD3 PRO A 61 10.923 -6.226 7.058 1.00 43.20 H new ATOM 919 N GLN A 62 11.697 -4.946 2.673 1.00 63.11 N ATOM 920 CA GLN A 62 11.695 -4.727 1.222 1.00 62.12 C ATOM 921 C GLN A 62 10.803 -3.535 0.855 1.00 10.13 C ATOM 922 O GLN A 62 11.201 -2.661 0.075 1.00 62.11 O ATOM 923 CB GLN A 62 11.242 -5.984 0.470 1.00 40.11 C ATOM 924 CG GLN A 62 12.168 -7.174 0.678 1.00 51.43 C ATOM 925 CD GLN A 62 11.932 -8.300 -0.315 1.00 75.31 C ATOM 926 OE1 GLN A 62 12.535 -8.336 -1.390 1.00 24.54 O ATOM 927 NE2 GLN A 62 11.052 -9.226 0.034 1.00 12.43 N ATOM 0 H GLN A 62 11.366 -5.863 2.974 1.00 63.11 H new ATOM 0 HA GLN A 62 12.718 -4.503 0.920 1.00 62.12 H new ATOM 0 HB2 GLN A 62 10.237 -6.252 0.796 1.00 40.11 H new ATOM 0 HB3 GLN A 62 11.182 -5.760 -0.595 1.00 40.11 H new ATOM 0 HG2 GLN A 62 13.202 -6.839 0.598 1.00 51.43 H new ATOM 0 HG3 GLN A 62 12.034 -7.557 1.690 1.00 51.43 H new ATOM 0 HE21 GLN A 62 10.573 -9.162 0.932 1.00 12.43 H new ATOM 0 HE22 GLN A 62 10.853 -10.004 -0.595 1.00 12.43 H new ATOM 936 N LEU A 63 9.607 -3.494 1.441 1.00 61.05 N ATOM 937 CA LEU A 63 8.669 -2.401 1.201 1.00 54.11 C ATOM 938 C LEU A 63 9.260 -1.080 1.683 1.00 32.21 C ATOM 939 O LEU A 63 9.166 -0.066 0.995 1.00 61.24 O ATOM 940 CB LEU A 63 7.326 -2.673 1.896 1.00 53.45 C ATOM 941 CG LEU A 63 6.509 -3.846 1.323 1.00 32.23 C ATOM 942 CD1 LEU A 63 5.215 -4.046 2.112 1.00 63.11 C ATOM 943 CD2 LEU A 63 6.210 -3.622 -0.159 1.00 62.11 C ATOM 0 H LEU A 63 9.266 -4.207 2.086 1.00 61.05 H new ATOM 0 HA LEU A 63 8.490 -2.333 0.128 1.00 54.11 H new ATOM 0 HB2 LEU A 63 7.516 -2.867 2.952 1.00 53.45 H new ATOM 0 HB3 LEU A 63 6.719 -1.769 1.842 1.00 53.45 H new ATOM 0 HG LEU A 63 7.106 -4.753 1.418 1.00 32.23 H new ATOM 0 HD11 LEU A 63 4.656 -4.880 1.688 1.00 63.11 H new ATOM 0 HD12 LEU A 63 5.454 -4.261 3.154 1.00 63.11 H new ATOM 0 HD13 LEU A 63 4.612 -3.140 2.058 1.00 63.11 H new ATOM 0 HD21 LEU A 63 5.632 -4.462 -0.545 1.00 62.11 H new ATOM 0 HD22 LEU A 63 5.638 -2.702 -0.280 1.00 62.11 H new ATOM 0 HD23 LEU A 63 7.146 -3.542 -0.711 1.00 62.11 H new ATOM 955 N GLU A 64 9.869 -1.109 2.868 1.00 44.44 N ATOM 956 CA GLU A 64 10.589 0.048 3.406 1.00 25.32 C ATOM 957 C GLU A 64 11.623 0.546 2.399 1.00 42.45 C ATOM 958 O GLU A 64 11.620 1.716 2.020 1.00 0.43 O ATOM 959 CB GLU A 64 11.273 -0.325 4.732 1.00 62.43 C ATOM 960 CG GLU A 64 10.324 -0.378 5.932 1.00 3.23 C ATOM 961 CD GLU A 64 10.112 0.982 6.589 1.00 43.31 C ATOM 962 OE1 GLU A 64 11.016 1.843 6.510 1.00 70.32 O ATOM 963 OE2 GLU A 64 9.041 1.197 7.193 1.00 5.14 O ATOM 0 H GLU A 64 9.879 -1.926 3.478 1.00 44.44 H new ATOM 0 HA GLU A 64 9.874 0.849 3.593 1.00 25.32 H new ATOM 0 HB2 GLU A 64 11.754 -1.297 4.620 1.00 62.43 H new ATOM 0 HB3 GLU A 64 12.062 0.399 4.938 1.00 62.43 H new ATOM 0 HG2 GLU A 64 9.361 -0.772 5.608 1.00 3.23 H new ATOM 0 HG3 GLU A 64 10.721 -1.074 6.671 1.00 3.23 H new ATOM 970 N LYS A 65 12.479 -0.367 1.941 1.00 55.24 N ATOM 971 CA LYS A 65 13.523 -0.045 0.971 1.00 51.41 C ATOM 972 C LYS A 65 12.934 0.684 -0.234 1.00 62.11 C ATOM 973 O LYS A 65 13.384 1.776 -0.598 1.00 34.45 O ATOM 974 CB LYS A 65 14.237 -1.327 0.511 1.00 62.33 C ATOM 975 CG LYS A 65 15.172 -1.125 -0.681 1.00 62.31 C ATOM 976 CD LYS A 65 15.874 -2.421 -1.091 1.00 62.53 C ATOM 977 CE LYS A 65 16.827 -2.932 -0.012 1.00 1.10 C ATOM 978 NZ LYS A 65 17.905 -1.950 0.291 1.00 12.13 N ATOM 0 H LYS A 65 12.468 -1.345 2.230 1.00 55.24 H new ATOM 0 HA LYS A 65 14.247 0.611 1.454 1.00 51.41 H new ATOM 0 HB2 LYS A 65 14.811 -1.730 1.345 1.00 62.33 H new ATOM 0 HB3 LYS A 65 13.488 -2.074 0.249 1.00 62.33 H new ATOM 0 HG2 LYS A 65 14.602 -0.739 -1.526 1.00 62.31 H new ATOM 0 HG3 LYS A 65 15.920 -0.372 -0.431 1.00 62.31 H new ATOM 0 HD2 LYS A 65 15.126 -3.185 -1.303 1.00 62.53 H new ATOM 0 HD3 LYS A 65 16.430 -2.254 -2.014 1.00 62.53 H new ATOM 0 HE2 LYS A 65 16.265 -3.145 0.897 1.00 1.10 H new ATOM 0 HE3 LYS A 65 17.273 -3.871 -0.338 1.00 1.10 H new ATOM 0 HZ1 LYS A 65 18.647 -2.412 0.855 1.00 12.13 H new ATOM 0 HZ2 LYS A 65 18.315 -1.599 -0.598 1.00 12.13 H new ATOM 0 HZ3 LYS A 65 17.508 -1.153 0.828 1.00 12.13 H new ATOM 992 N LEU A 66 11.908 0.089 -0.833 1.00 72.10 N ATOM 993 CA LEU A 66 11.279 0.673 -2.012 1.00 62.23 C ATOM 994 C LEU A 66 10.570 1.978 -1.655 1.00 5.52 C ATOM 995 O LEU A 66 10.500 2.899 -2.466 1.00 63.14 O ATOM 996 CB LEU A 66 10.287 -0.309 -2.648 1.00 75.14 C ATOM 997 CG LEU A 66 10.873 -1.665 -3.075 1.00 44.22 C ATOM 998 CD1 LEU A 66 9.873 -2.433 -3.930 1.00 23.33 C ATOM 999 CD2 LEU A 66 12.199 -1.489 -3.814 1.00 33.34 C ATOM 0 H LEU A 66 11.496 -0.792 -0.524 1.00 72.10 H new ATOM 0 HA LEU A 66 12.064 0.888 -2.737 1.00 62.23 H new ATOM 0 HB2 LEU A 66 9.479 -0.490 -1.940 1.00 75.14 H new ATOM 0 HB3 LEU A 66 9.844 0.166 -3.523 1.00 75.14 H new ATOM 0 HG LEU A 66 11.073 -2.244 -2.173 1.00 44.22 H new ATOM 0 HD11 LEU A 66 10.304 -3.390 -4.223 1.00 23.33 H new ATOM 0 HD12 LEU A 66 8.962 -2.606 -3.357 1.00 23.33 H new ATOM 0 HD13 LEU A 66 9.636 -1.853 -4.822 1.00 23.33 H new ATOM 0 HD21 LEU A 66 12.587 -2.466 -4.102 1.00 33.34 H new ATOM 0 HD22 LEU A 66 12.041 -0.884 -4.706 1.00 33.34 H new ATOM 0 HD23 LEU A 66 12.916 -0.992 -3.161 1.00 33.34 H new ATOM 1011 N ALA A 67 10.062 2.055 -0.430 1.00 2.12 N ATOM 1012 CA ALA A 67 9.356 3.241 0.040 1.00 20.13 C ATOM 1013 C ALA A 67 10.329 4.393 0.269 1.00 75.01 C ATOM 1014 O ALA A 67 9.943 5.552 0.218 1.00 63.34 O ATOM 1015 CB ALA A 67 8.581 2.935 1.318 1.00 40.22 C ATOM 0 H ALA A 67 10.127 1.306 0.259 1.00 2.12 H new ATOM 0 HA ALA A 67 8.645 3.540 -0.730 1.00 20.13 H new ATOM 0 HB1 ALA A 67 8.061 3.833 1.652 1.00 40.22 H new ATOM 0 HB2 ALA A 67 7.854 2.147 1.123 1.00 40.22 H new ATOM 0 HB3 ALA A 67 9.273 2.607 2.093 1.00 40.22 H new ATOM 1021 N GLN A 68 11.589 4.058 0.526 1.00 3.31 N ATOM 1022 CA GLN A 68 12.640 5.060 0.730 1.00 61.20 C ATOM 1023 C GLN A 68 13.225 5.501 -0.609 1.00 43.44 C ATOM 1024 O GLN A 68 13.550 6.673 -0.804 1.00 1.51 O ATOM 1025 CB GLN A 68 13.756 4.495 1.621 1.00 25.52 C ATOM 1026 CG GLN A 68 13.268 4.008 2.980 1.00 13.32 C ATOM 1027 CD GLN A 68 14.360 3.366 3.815 1.00 50.42 C ATOM 1028 OE1 GLN A 68 15.334 2.826 3.286 1.00 34.35 O ATOM 1029 NE2 GLN A 68 14.190 3.384 5.126 1.00 23.15 N ATOM 0 H GLN A 68 11.913 3.094 0.599 1.00 3.31 H new ATOM 0 HA GLN A 68 12.195 5.923 1.224 1.00 61.20 H new ATOM 0 HB2 GLN A 68 14.240 3.668 1.101 1.00 25.52 H new ATOM 0 HB3 GLN A 68 14.513 5.264 1.771 1.00 25.52 H new ATOM 0 HG2 GLN A 68 12.847 4.850 3.530 1.00 13.32 H new ATOM 0 HG3 GLN A 68 12.463 3.289 2.833 1.00 13.32 H new ATOM 0 HE21 GLN A 68 13.371 3.841 5.528 1.00 23.15 H new ATOM 0 HE22 GLN A 68 14.878 2.941 5.736 1.00 23.15 H new ATOM 1038 N GLN A 69 13.362 4.548 -1.522 1.00 51.43 N ATOM 1039 CA GLN A 69 13.928 4.811 -2.844 1.00 71.21 C ATOM 1040 C GLN A 69 12.929 5.560 -3.727 1.00 51.31 C ATOM 1041 O GLN A 69 13.244 6.599 -4.310 1.00 22.50 O ATOM 1042 CB GLN A 69 14.321 3.481 -3.506 1.00 70.51 C ATOM 1043 CG GLN A 69 14.942 3.625 -4.893 1.00 31.43 C ATOM 1044 CD GLN A 69 15.216 2.283 -5.554 1.00 21.22 C ATOM 1045 OE1 GLN A 69 14.511 1.303 -5.311 1.00 53.13 O ATOM 1046 NE2 GLN A 69 16.238 2.228 -6.391 1.00 54.21 N ATOM 0 H GLN A 69 13.087 3.577 -1.372 1.00 51.43 H new ATOM 0 HA GLN A 69 14.812 5.437 -2.727 1.00 71.21 H new ATOM 0 HB2 GLN A 69 15.027 2.961 -2.858 1.00 70.51 H new ATOM 0 HB3 GLN A 69 13.435 2.851 -3.582 1.00 70.51 H new ATOM 0 HG2 GLN A 69 14.274 4.208 -5.527 1.00 31.43 H new ATOM 0 HG3 GLN A 69 15.875 4.184 -4.813 1.00 31.43 H new ATOM 0 HE21 GLN A 69 16.799 3.062 -6.567 1.00 54.21 H new ATOM 0 HE22 GLN A 69 16.466 1.352 -6.861 1.00 54.21 H new ATOM 1055 N TYR A 70 11.713 5.030 -3.793 1.00 61.40 N ATOM 1056 CA TYR A 70 10.673 5.534 -4.688 1.00 4.34 C ATOM 1057 C TYR A 70 9.814 6.612 -4.025 1.00 51.13 C ATOM 1058 O TYR A 70 8.842 7.070 -4.618 1.00 13.13 O ATOM 1059 CB TYR A 70 9.788 4.382 -5.190 1.00 31.31 C ATOM 1060 CG TYR A 70 10.541 3.329 -5.988 1.00 31.52 C ATOM 1061 CD1 TYR A 70 11.255 3.673 -7.132 1.00 61.10 C ATOM 1062 CD2 TYR A 70 10.531 1.992 -5.604 1.00 12.32 C ATOM 1063 CE1 TYR A 70 11.938 2.719 -7.863 1.00 73.50 C ATOM 1064 CE2 TYR A 70 11.211 1.035 -6.332 1.00 45.53 C ATOM 1065 CZ TYR A 70 11.912 1.402 -7.460 1.00 42.14 C ATOM 1066 OH TYR A 70 12.593 0.450 -8.187 1.00 74.44 O ATOM 0 H TYR A 70 11.418 4.235 -3.226 1.00 61.40 H new ATOM 0 HA TYR A 70 11.176 5.994 -5.538 1.00 4.34 H new ATOM 0 HB2 TYR A 70 9.312 3.903 -4.334 1.00 31.31 H new ATOM 0 HB3 TYR A 70 8.991 4.793 -5.810 1.00 31.31 H new ATOM 0 HD1 TYR A 70 11.276 4.704 -7.454 1.00 61.10 H new ATOM 0 HD2 TYR A 70 9.982 1.697 -4.722 1.00 12.32 H new ATOM 0 HE1 TYR A 70 12.490 3.005 -8.746 1.00 73.50 H new ATOM 0 HE2 TYR A 70 11.193 0.002 -6.018 1.00 45.53 H new ATOM 0 HH TYR A 70 12.888 -0.269 -7.590 1.00 74.44 H new ATOM 1076 N THR A 71 10.176 7.016 -2.803 1.00 24.12 N ATOM 1077 CA THR A 71 9.345 7.921 -1.989 1.00 22.01 C ATOM 1078 C THR A 71 8.962 9.203 -2.737 1.00 63.23 C ATOM 1079 O THR A 71 7.942 9.824 -2.424 1.00 63.20 O ATOM 1080 CB THR A 71 10.065 8.326 -0.675 1.00 31.42 C ATOM 1081 OG1 THR A 71 9.234 9.212 0.096 1.00 42.25 O ATOM 1082 CG2 THR A 71 11.406 9.000 -0.966 1.00 45.44 C ATOM 0 H THR A 71 11.044 6.730 -2.350 1.00 24.12 H new ATOM 0 HA THR A 71 8.439 7.358 -1.763 1.00 22.01 H new ATOM 0 HB THR A 71 10.253 7.417 -0.103 1.00 31.42 H new ATOM 0 HG1 THR A 71 9.698 9.459 0.923 1.00 42.25 H new ATOM 0 HG21 THR A 71 11.888 9.273 -0.027 1.00 45.44 H new ATOM 0 HG22 THR A 71 12.047 8.312 -1.516 1.00 45.44 H new ATOM 0 HG23 THR A 71 11.240 9.897 -1.563 1.00 45.44 H new ATOM 1090 N GLU A 72 9.760 9.586 -3.729 1.00 30.11 N ATOM 1091 CA GLU A 72 9.491 10.792 -4.517 1.00 64.03 C ATOM 1092 C GLU A 72 8.124 10.700 -5.207 1.00 70.22 C ATOM 1093 O GLU A 72 7.554 11.710 -5.628 1.00 74.01 O ATOM 1094 CB GLU A 72 10.602 10.989 -5.560 1.00 20.24 C ATOM 1095 CG GLU A 72 12.013 11.006 -4.971 1.00 65.14 C ATOM 1096 CD GLU A 72 12.248 12.151 -3.990 1.00 3.33 C ATOM 1097 OE1 GLU A 72 12.648 13.250 -4.434 1.00 51.41 O ATOM 1098 OE2 GLU A 72 12.053 11.955 -2.771 1.00 11.51 O ATOM 0 H GLU A 72 10.600 9.080 -4.009 1.00 30.11 H new ATOM 0 HA GLU A 72 9.473 11.650 -3.845 1.00 64.03 H new ATOM 0 HB2 GLU A 72 10.538 10.191 -6.299 1.00 20.24 H new ATOM 0 HB3 GLU A 72 10.428 11.927 -6.088 1.00 20.24 H new ATOM 0 HG2 GLU A 72 12.198 10.059 -4.464 1.00 65.14 H new ATOM 0 HG3 GLU A 72 12.737 11.079 -5.783 1.00 65.14 H new ATOM 1105 N ASN A 73 7.613 9.477 -5.316 1.00 64.52 N ATOM 1106 CA ASN A 73 6.311 9.214 -5.935 1.00 23.31 C ATOM 1107 C ASN A 73 5.465 8.262 -5.076 1.00 3.03 C ATOM 1108 O ASN A 73 4.238 8.337 -5.082 1.00 61.50 O ATOM 1109 CB ASN A 73 6.513 8.600 -7.330 1.00 11.42 C ATOM 1110 CG ASN A 73 5.204 8.349 -8.061 1.00 61.52 C ATOM 1111 OD1 ASN A 73 4.575 7.305 -7.901 1.00 23.10 O ATOM 1112 ND2 ASN A 73 4.799 9.297 -8.889 1.00 72.23 N ATOM 0 H ASN A 73 8.087 8.639 -4.979 1.00 64.52 H new ATOM 0 HA ASN A 73 5.781 10.163 -6.019 1.00 23.31 H new ATOM 0 HB2 ASN A 73 7.135 9.266 -7.928 1.00 11.42 H new ATOM 0 HB3 ASN A 73 7.055 7.659 -7.232 1.00 11.42 H new ATOM 0 HD21 ASN A 73 3.938 9.175 -9.421 1.00 72.23 H new ATOM 0 HD22 ASN A 73 5.348 10.150 -8.995 1.00 72.23 H new ATOM 1119 N VAL A 74 6.129 7.383 -4.326 1.00 32.11 N ATOM 1120 CA VAL A 74 5.468 6.280 -3.630 1.00 75.15 C ATOM 1121 C VAL A 74 5.360 6.526 -2.124 1.00 53.13 C ATOM 1122 O VAL A 74 6.252 7.121 -1.517 1.00 40.11 O ATOM 1123 CB VAL A 74 6.240 4.953 -3.874 1.00 20.25 C ATOM 1124 CG1 VAL A 74 5.711 3.814 -3.001 1.00 31.53 C ATOM 1125 CG2 VAL A 74 6.187 4.571 -5.351 1.00 5.04 C ATOM 0 H VAL A 74 7.139 7.415 -4.184 1.00 32.11 H new ATOM 0 HA VAL A 74 4.458 6.209 -4.034 1.00 75.15 H new ATOM 0 HB VAL A 74 7.279 5.120 -3.590 1.00 20.25 H new ATOM 0 HG11 VAL A 74 6.279 2.906 -3.204 1.00 31.53 H new ATOM 0 HG12 VAL A 74 5.818 4.081 -1.950 1.00 31.53 H new ATOM 0 HG13 VAL A 74 4.659 3.642 -3.226 1.00 31.53 H new ATOM 0 HG21 VAL A 74 6.732 3.640 -5.506 1.00 5.04 H new ATOM 0 HG22 VAL A 74 5.149 4.439 -5.656 1.00 5.04 H new ATOM 0 HG23 VAL A 74 6.642 5.361 -5.948 1.00 5.04 H new ATOM 1135 N LYS A 75 4.248 6.068 -1.544 1.00 42.32 N ATOM 1136 CA LYS A 75 4.048 6.032 -0.093 1.00 24.15 C ATOM 1137 C LYS A 75 3.284 4.756 0.265 1.00 74.44 C ATOM 1138 O LYS A 75 2.375 4.357 -0.463 1.00 12.31 O ATOM 1139 CB LYS A 75 3.263 7.265 0.397 1.00 74.42 C ATOM 1140 CG LYS A 75 4.002 8.594 0.232 1.00 0.41 C ATOM 1141 CD LYS A 75 5.323 8.610 1.001 1.00 24.14 C ATOM 1142 CE LYS A 75 6.046 9.945 0.864 1.00 51.43 C ATOM 1143 NZ LYS A 75 6.268 10.322 -0.559 1.00 12.52 N ATOM 0 H LYS A 75 3.454 5.708 -2.073 1.00 42.32 H new ATOM 0 HA LYS A 75 5.022 6.043 0.397 1.00 24.15 H new ATOM 0 HB2 LYS A 75 2.319 7.319 -0.146 1.00 74.42 H new ATOM 0 HB3 LYS A 75 3.017 7.129 1.450 1.00 74.42 H new ATOM 0 HG2 LYS A 75 4.195 8.773 -0.826 1.00 0.41 H new ATOM 0 HG3 LYS A 75 3.368 9.408 0.583 1.00 0.41 H new ATOM 0 HD2 LYS A 75 5.132 8.408 2.055 1.00 24.14 H new ATOM 0 HD3 LYS A 75 5.966 7.810 0.634 1.00 24.14 H new ATOM 0 HE2 LYS A 75 5.464 10.723 1.358 1.00 51.43 H new ATOM 0 HE3 LYS A 75 7.006 9.891 1.377 1.00 51.43 H new ATOM 0 HZ1 LYS A 75 6.777 11.228 -0.603 1.00 12.52 H new ATOM 0 HZ2 LYS A 75 6.831 9.585 -1.030 1.00 12.52 H new ATOM 0 HZ3 LYS A 75 5.351 10.417 -1.040 1.00 12.52 H new ATOM 1157 N ILE A 76 3.654 4.101 1.366 1.00 53.22 N ATOM 1158 CA ILE A 76 2.993 2.856 1.764 1.00 13.50 C ATOM 1159 C ILE A 76 2.290 3.015 3.110 1.00 20.33 C ATOM 1160 O ILE A 76 2.819 3.640 4.034 1.00 15.10 O ATOM 1161 CB ILE A 76 3.990 1.666 1.842 1.00 71.33 C ATOM 1162 CG1 ILE A 76 4.767 1.533 0.516 1.00 45.05 C ATOM 1163 CG2 ILE A 76 3.260 0.359 2.170 1.00 32.34 C ATOM 1164 CD1 ILE A 76 5.758 0.385 0.488 1.00 42.42 C ATOM 0 H ILE A 76 4.399 4.406 1.992 1.00 53.22 H new ATOM 0 HA ILE A 76 2.255 2.636 0.993 1.00 13.50 H new ATOM 0 HB ILE A 76 4.699 1.866 2.645 1.00 71.33 H new ATOM 0 HG12 ILE A 76 4.054 1.403 -0.298 1.00 45.05 H new ATOM 0 HG13 ILE A 76 5.301 2.464 0.326 1.00 45.05 H new ATOM 0 HG21 ILE A 76 3.980 -0.458 2.219 1.00 32.34 H new ATOM 0 HG22 ILE A 76 2.755 0.456 3.131 1.00 32.34 H new ATOM 0 HG23 ILE A 76 2.525 0.148 1.394 1.00 32.34 H new ATOM 0 HD11 ILE A 76 6.261 0.362 -0.479 1.00 42.42 H new ATOM 0 HD12 ILE A 76 6.496 0.522 1.278 1.00 42.42 H new ATOM 0 HD13 ILE A 76 5.230 -0.556 0.644 1.00 42.42 H new ATOM 1176 N TYR A 77 1.089 2.456 3.194 1.00 21.44 N ATOM 1177 CA TYR A 77 0.277 2.479 4.404 1.00 61.34 C ATOM 1178 C TYR A 77 -0.228 1.067 4.693 1.00 20.30 C ATOM 1179 O TYR A 77 -0.211 0.212 3.807 1.00 23.41 O ATOM 1180 CB TYR A 77 -0.930 3.417 4.228 1.00 15.05 C ATOM 1181 CG TYR A 77 -0.591 4.886 4.038 1.00 55.35 C ATOM 1182 CD1 TYR A 77 -0.125 5.372 2.819 1.00 64.22 C ATOM 1183 CD2 TYR A 77 -0.763 5.793 5.077 1.00 3.02 C ATOM 1184 CE1 TYR A 77 0.153 6.716 2.644 1.00 20.53 C ATOM 1185 CE2 TYR A 77 -0.482 7.134 4.912 1.00 24.34 C ATOM 1186 CZ TYR A 77 -0.025 7.593 3.695 1.00 50.43 C ATOM 1187 OH TYR A 77 0.247 8.935 3.530 1.00 70.35 O ATOM 0 H TYR A 77 0.647 1.968 2.415 1.00 21.44 H new ATOM 0 HA TYR A 77 0.888 2.841 5.231 1.00 61.34 H new ATOM 0 HB2 TYR A 77 -1.508 3.081 3.367 1.00 15.05 H new ATOM 0 HB3 TYR A 77 -1.574 3.320 5.102 1.00 15.05 H new ATOM 0 HD1 TYR A 77 0.022 4.688 1.996 1.00 64.22 H new ATOM 0 HD2 TYR A 77 -1.124 5.441 6.032 1.00 3.02 H new ATOM 0 HE1 TYR A 77 0.507 7.077 1.690 1.00 20.53 H new ATOM 0 HE2 TYR A 77 -0.620 7.822 5.733 1.00 24.34 H new ATOM 0 HH TYR A 77 0.067 9.411 4.368 1.00 70.35 H new ATOM 1197 N LYS A 78 -0.677 0.821 5.919 1.00 31.30 N ATOM 1198 CA LYS A 78 -1.310 -0.453 6.248 1.00 45.14 C ATOM 1199 C LYS A 78 -2.214 -0.312 7.463 1.00 35.45 C ATOM 1200 O LYS A 78 -1.854 0.340 8.450 1.00 32.14 O ATOM 1201 CB LYS A 78 -0.259 -1.557 6.466 1.00 2.34 C ATOM 1202 CG LYS A 78 0.653 -1.383 7.683 1.00 65.13 C ATOM 1203 CD LYS A 78 1.849 -2.336 7.605 1.00 45.33 C ATOM 1204 CE LYS A 78 2.721 -2.306 8.855 1.00 75.03 C ATOM 1205 NZ LYS A 78 2.149 -3.127 9.956 1.00 21.33 N ATOM 0 H LYS A 78 -0.616 1.479 6.696 1.00 31.30 H new ATOM 0 HA LYS A 78 -1.929 -0.747 5.400 1.00 45.14 H new ATOM 0 HB2 LYS A 78 -0.777 -2.511 6.558 1.00 2.34 H new ATOM 0 HB3 LYS A 78 0.365 -1.618 5.575 1.00 2.34 H new ATOM 0 HG2 LYS A 78 1.006 -0.353 7.735 1.00 65.13 H new ATOM 0 HG3 LYS A 78 0.089 -1.573 8.596 1.00 65.13 H new ATOM 0 HD2 LYS A 78 1.487 -3.352 7.447 1.00 45.33 H new ATOM 0 HD3 LYS A 78 2.457 -2.076 6.739 1.00 45.33 H new ATOM 0 HE2 LYS A 78 3.718 -2.673 8.610 1.00 75.03 H new ATOM 0 HE3 LYS A 78 2.834 -1.276 9.193 1.00 75.03 H new ATOM 0 HZ1 LYS A 78 2.900 -3.374 10.631 1.00 21.33 H new ATOM 0 HZ2 LYS A 78 1.409 -2.584 10.445 1.00 21.33 H new ATOM 0 HZ3 LYS A 78 1.737 -3.997 9.562 1.00 21.33 H new ATOM 1219 N ILE A 79 -3.401 -0.908 7.374 1.00 24.32 N ATOM 1220 CA ILE A 79 -4.350 -0.897 8.479 1.00 2.14 C ATOM 1221 C ILE A 79 -3.833 -1.798 9.593 1.00 13.52 C ATOM 1222 O ILE A 79 -3.929 -3.023 9.516 1.00 30.24 O ATOM 1223 CB ILE A 79 -5.780 -1.344 8.046 1.00 3.20 C ATOM 1224 CG1 ILE A 79 -6.425 -0.305 7.107 1.00 51.53 C ATOM 1225 CG2 ILE A 79 -6.671 -1.567 9.271 1.00 3.00 C ATOM 1226 CD1 ILE A 79 -5.776 -0.201 5.742 1.00 11.43 C ATOM 0 H ILE A 79 -3.727 -1.405 6.545 1.00 24.32 H new ATOM 0 HA ILE A 79 -4.436 0.130 8.833 1.00 2.14 H new ATOM 0 HB ILE A 79 -5.684 -2.285 7.505 1.00 3.20 H new ATOM 0 HG12 ILE A 79 -7.478 -0.557 6.976 1.00 51.53 H new ATOM 0 HG13 ILE A 79 -6.388 0.672 7.588 1.00 51.53 H new ATOM 0 HG21 ILE A 79 -7.664 -1.878 8.947 1.00 3.00 H new ATOM 0 HG22 ILE A 79 -6.235 -2.342 9.901 1.00 3.00 H new ATOM 0 HG23 ILE A 79 -6.749 -0.639 9.838 1.00 3.00 H new ATOM 0 HD11 ILE A 79 -6.294 0.553 5.149 1.00 11.43 H new ATOM 0 HD12 ILE A 79 -4.730 0.083 5.857 1.00 11.43 H new ATOM 0 HD13 ILE A 79 -5.836 -1.165 5.236 1.00 11.43 H new ATOM 1238 N ASN A 80 -3.243 -1.180 10.607 1.00 45.22 N ATOM 1239 CA ASN A 80 -2.635 -1.909 11.715 1.00 64.11 C ATOM 1240 C ASN A 80 -3.543 -1.842 12.940 1.00 42.04 C ATOM 1241 O ASN A 80 -3.240 -2.409 13.989 1.00 24.13 O ATOM 1242 CB ASN A 80 -1.252 -1.311 12.030 1.00 52.23 C ATOM 1243 CG ASN A 80 -0.288 -2.316 12.642 1.00 2.40 C ATOM 1244 OD1 ASN A 80 0.454 -2.993 11.923 1.00 31.10 O ATOM 1245 ND2 ASN A 80 -0.276 -2.418 13.961 1.00 32.33 N ATOM 0 H ASN A 80 -3.172 -0.166 10.686 1.00 45.22 H new ATOM 0 HA ASN A 80 -2.508 -2.955 11.437 1.00 64.11 H new ATOM 0 HB2 ASN A 80 -0.818 -0.914 11.112 1.00 52.23 H new ATOM 0 HB3 ASN A 80 -1.374 -0.472 12.714 1.00 52.23 H new ATOM 0 HD21 ASN A 80 0.361 -3.072 14.416 1.00 32.33 H new ATOM 0 HD22 ASN A 80 -0.903 -1.842 14.523 1.00 32.33 H new ATOM 1252 N ILE A 81 -4.659 -1.133 12.795 1.00 61.15 N ATOM 1253 CA ILE A 81 -5.624 -0.973 13.877 1.00 25.40 C ATOM 1254 C ILE A 81 -6.750 -2.003 13.745 1.00 53.34 C ATOM 1255 O ILE A 81 -7.713 -1.793 13.002 1.00 63.43 O ATOM 1256 CB ILE A 81 -6.227 0.457 13.895 1.00 43.30 C ATOM 1257 CG1 ILE A 81 -5.111 1.517 13.973 1.00 33.31 C ATOM 1258 CG2 ILE A 81 -7.207 0.621 15.060 1.00 52.53 C ATOM 1259 CD1 ILE A 81 -4.260 1.433 15.227 1.00 43.43 C ATOM 0 H ILE A 81 -4.918 -0.657 11.931 1.00 61.15 H new ATOM 0 HA ILE A 81 -5.093 -1.133 14.815 1.00 25.40 H new ATOM 0 HB ILE A 81 -6.776 0.604 12.965 1.00 43.30 H new ATOM 0 HG12 ILE A 81 -4.465 1.413 13.101 1.00 33.31 H new ATOM 0 HG13 ILE A 81 -5.562 2.508 13.919 1.00 33.31 H new ATOM 0 HG21 ILE A 81 -7.616 1.631 15.052 1.00 52.53 H new ATOM 0 HG22 ILE A 81 -8.018 -0.100 14.958 1.00 52.53 H new ATOM 0 HG23 ILE A 81 -6.685 0.449 16.001 1.00 52.53 H new ATOM 0 HD11 ILE A 81 -3.499 2.213 15.203 1.00 43.43 H new ATOM 0 HD12 ILE A 81 -4.891 1.569 16.105 1.00 43.43 H new ATOM 0 HD13 ILE A 81 -3.777 0.457 15.274 1.00 43.43 H new ATOM 1271 N GLU A 82 -6.618 -3.106 14.476 1.00 4.20 N ATOM 1272 CA GLU A 82 -7.593 -4.201 14.449 1.00 42.04 C ATOM 1273 C GLU A 82 -8.973 -3.716 14.904 1.00 64.42 C ATOM 1274 O GLU A 82 -10.000 -4.306 14.559 1.00 40.51 O ATOM 1275 CB GLU A 82 -7.078 -5.357 15.334 1.00 22.23 C ATOM 1276 CG GLU A 82 -8.062 -6.511 15.556 1.00 65.31 C ATOM 1277 CD GLU A 82 -8.981 -6.295 16.755 1.00 75.24 C ATOM 1278 OE1 GLU A 82 -8.471 -5.956 17.845 1.00 61.14 O ATOM 1279 OE2 GLU A 82 -10.208 -6.492 16.625 1.00 4.41 O ATOM 0 H GLU A 82 -5.832 -3.270 15.106 1.00 4.20 H new ATOM 0 HA GLU A 82 -7.705 -4.563 13.427 1.00 42.04 H new ATOM 0 HB2 GLU A 82 -6.170 -5.759 14.884 1.00 22.23 H new ATOM 0 HB3 GLU A 82 -6.798 -4.950 16.306 1.00 22.23 H new ATOM 0 HG2 GLU A 82 -8.669 -6.640 14.660 1.00 65.31 H new ATOM 0 HG3 GLU A 82 -7.502 -7.435 15.697 1.00 65.31 H new ATOM 1286 N ASP A 83 -8.995 -2.616 15.650 1.00 71.44 N ATOM 1287 CA ASP A 83 -10.251 -2.060 16.151 1.00 30.34 C ATOM 1288 C ASP A 83 -11.048 -1.445 15.000 1.00 72.50 C ATOM 1289 O ASP A 83 -12.272 -1.332 15.063 1.00 40.31 O ATOM 1290 CB ASP A 83 -9.979 -1.008 17.235 1.00 2.30 C ATOM 1291 CG ASP A 83 -11.251 -0.547 17.934 1.00 52.04 C ATOM 1292 OD1 ASP A 83 -11.924 0.374 17.423 1.00 60.23 O ATOM 1293 OD2 ASP A 83 -11.582 -1.103 19.003 1.00 24.31 O ATOM 0 H ASP A 83 -8.162 -2.093 15.921 1.00 71.44 H new ATOM 0 HA ASP A 83 -10.837 -2.865 16.594 1.00 30.34 H new ATOM 0 HB2 ASP A 83 -9.292 -1.421 17.973 1.00 2.30 H new ATOM 0 HB3 ASP A 83 -9.483 -0.148 16.785 1.00 2.30 H new ATOM 1298 N ASN A 84 -10.339 -1.075 13.938 1.00 11.21 N ATOM 1299 CA ASN A 84 -10.959 -0.546 12.725 1.00 73.45 C ATOM 1300 C ASN A 84 -10.787 -1.555 11.591 1.00 24.53 C ATOM 1301 O ASN A 84 -9.924 -1.399 10.725 1.00 20.11 O ATOM 1302 CB ASN A 84 -10.346 0.810 12.342 1.00 72.12 C ATOM 1303 CG ASN A 84 -10.865 1.960 13.190 1.00 1.12 C ATOM 1304 OD1 ASN A 84 -11.844 2.615 12.829 1.00 22.33 O ATOM 1305 ND2 ASN A 84 -10.218 2.218 14.316 1.00 43.31 N ATOM 0 H ASN A 84 -9.322 -1.133 13.893 1.00 11.21 H new ATOM 0 HA ASN A 84 -12.022 -0.387 12.908 1.00 73.45 H new ATOM 0 HB2 ASN A 84 -9.262 0.753 12.442 1.00 72.12 H new ATOM 0 HB3 ASN A 84 -10.559 1.015 11.293 1.00 72.12 H new ATOM 0 HD21 ASN A 84 -10.526 2.981 14.918 1.00 43.31 H new ATOM 0 HD22 ASN A 84 -9.411 1.653 14.581 1.00 43.31 H new ATOM 1312 N GLN A 85 -11.611 -2.596 11.617 1.00 0.45 N ATOM 1313 CA GLN A 85 -11.447 -3.743 10.729 1.00 63.55 C ATOM 1314 C GLN A 85 -12.404 -3.678 9.534 1.00 23.55 C ATOM 1315 O GLN A 85 -12.143 -4.289 8.495 1.00 73.20 O ATOM 1316 CB GLN A 85 -11.678 -5.042 11.520 1.00 52.51 C ATOM 1317 CG GLN A 85 -11.318 -6.309 10.751 1.00 62.24 C ATOM 1318 CD GLN A 85 -9.831 -6.412 10.454 1.00 55.54 C ATOM 1319 OE1 GLN A 85 -9.068 -6.993 11.221 1.00 35.42 O ATOM 1320 NE2 GLN A 85 -9.411 -5.833 9.343 1.00 3.02 N ATOM 0 H GLN A 85 -12.407 -2.670 12.250 1.00 0.45 H new ATOM 0 HA GLN A 85 -10.430 -3.724 10.336 1.00 63.55 H new ATOM 0 HB2 GLN A 85 -11.090 -5.006 12.437 1.00 52.51 H new ATOM 0 HB3 GLN A 85 -12.726 -5.094 11.815 1.00 52.51 H new ATOM 0 HG2 GLN A 85 -11.630 -7.180 11.327 1.00 62.24 H new ATOM 0 HG3 GLN A 85 -11.874 -6.331 9.814 1.00 62.24 H new ATOM 0 HE21 GLN A 85 -10.076 -5.360 8.731 1.00 3.02 H new ATOM 0 HE22 GLN A 85 -8.421 -5.859 9.097 1.00 3.02 H new ATOM 1329 N ASP A 86 -13.496 -2.919 9.679 1.00 61.21 N ATOM 1330 CA ASP A 86 -14.556 -2.863 8.657 1.00 52.31 C ATOM 1331 C ASP A 86 -14.017 -2.551 7.268 1.00 15.31 C ATOM 1332 O ASP A 86 -14.535 -3.065 6.277 1.00 74.12 O ATOM 1333 CB ASP A 86 -15.642 -1.846 9.042 1.00 13.13 C ATOM 1334 CG ASP A 86 -16.626 -2.408 10.054 1.00 35.32 C ATOM 1335 OD1 ASP A 86 -17.595 -3.082 9.640 1.00 31.22 O ATOM 1336 OD2 ASP A 86 -16.434 -2.193 11.266 1.00 3.23 O ATOM 0 H ASP A 86 -13.672 -2.333 10.495 1.00 61.21 H new ATOM 0 HA ASP A 86 -14.997 -3.859 8.619 1.00 52.31 H new ATOM 0 HB2 ASP A 86 -15.171 -0.953 9.454 1.00 13.13 H new ATOM 0 HB3 ASP A 86 -16.182 -1.538 8.147 1.00 13.13 H new ATOM 1341 N VAL A 87 -12.976 -1.727 7.192 1.00 31.34 N ATOM 1342 CA VAL A 87 -12.369 -1.376 5.905 1.00 73.43 C ATOM 1343 C VAL A 87 -11.997 -2.646 5.119 1.00 44.21 C ATOM 1344 O VAL A 87 -12.213 -2.733 3.903 1.00 21.51 O ATOM 1345 CB VAL A 87 -11.120 -0.474 6.095 1.00 75.15 C ATOM 1346 CG1 VAL A 87 -10.019 -1.201 6.859 1.00 63.25 C ATOM 1347 CG2 VAL A 87 -10.607 0.039 4.752 1.00 35.33 C ATOM 0 H VAL A 87 -12.534 -1.290 8.001 1.00 31.34 H new ATOM 0 HA VAL A 87 -13.106 -0.812 5.334 1.00 73.43 H new ATOM 0 HB VAL A 87 -11.422 0.386 6.692 1.00 75.15 H new ATOM 0 HG11 VAL A 87 -9.159 -0.541 6.974 1.00 63.25 H new ATOM 0 HG12 VAL A 87 -10.389 -1.490 7.843 1.00 63.25 H new ATOM 0 HG13 VAL A 87 -9.721 -2.092 6.307 1.00 63.25 H new ATOM 0 HG21 VAL A 87 -9.732 0.668 4.913 1.00 35.33 H new ATOM 0 HG22 VAL A 87 -10.335 -0.806 4.120 1.00 35.33 H new ATOM 0 HG23 VAL A 87 -11.388 0.622 4.263 1.00 35.33 H new ATOM 1357 N ALA A 88 -11.486 -3.647 5.838 1.00 62.14 N ATOM 1358 CA ALA A 88 -11.094 -4.920 5.235 1.00 42.33 C ATOM 1359 C ALA A 88 -12.320 -5.645 4.686 1.00 3.14 C ATOM 1360 O ALA A 88 -12.282 -6.215 3.591 1.00 61.03 O ATOM 1361 CB ALA A 88 -10.366 -5.787 6.256 1.00 51.54 C ATOM 0 H ALA A 88 -11.334 -3.599 6.845 1.00 62.14 H new ATOM 0 HA ALA A 88 -10.413 -4.722 4.407 1.00 42.33 H new ATOM 0 HB1 ALA A 88 -10.080 -6.732 5.793 1.00 51.54 H new ATOM 0 HB2 ALA A 88 -9.473 -5.268 6.603 1.00 51.54 H new ATOM 0 HB3 ALA A 88 -11.024 -5.982 7.103 1.00 51.54 H new ATOM 1367 N THR A 89 -13.408 -5.597 5.454 1.00 22.40 N ATOM 1368 CA THR A 89 -14.676 -6.190 5.043 1.00 1.34 C ATOM 1369 C THR A 89 -15.182 -5.504 3.773 1.00 52.31 C ATOM 1370 O THR A 89 -15.677 -6.152 2.848 1.00 62.34 O ATOM 1371 CB THR A 89 -15.745 -6.040 6.157 1.00 12.32 C ATOM 1372 OG1 THR A 89 -15.176 -6.357 7.436 1.00 62.10 O ATOM 1373 CG2 THR A 89 -16.951 -6.940 5.897 1.00 54.45 C ATOM 0 H THR A 89 -13.434 -5.150 6.370 1.00 22.40 H new ATOM 0 HA THR A 89 -14.508 -7.250 4.854 1.00 1.34 H new ATOM 0 HB THR A 89 -16.083 -5.004 6.154 1.00 12.32 H new ATOM 0 HG1 THR A 89 -15.859 -6.257 8.132 1.00 62.10 H new ATOM 0 HG21 THR A 89 -17.681 -6.810 6.696 1.00 54.45 H new ATOM 0 HG22 THR A 89 -17.406 -6.672 4.943 1.00 54.45 H new ATOM 0 HG23 THR A 89 -16.628 -7.981 5.866 1.00 54.45 H new ATOM 1381 N GLN A 90 -15.022 -4.182 3.738 1.00 21.22 N ATOM 1382 CA GLN A 90 -15.498 -3.364 2.631 1.00 3.51 C ATOM 1383 C GLN A 90 -14.760 -3.709 1.339 1.00 0.45 C ATOM 1384 O GLN A 90 -15.380 -3.882 0.291 1.00 33.43 O ATOM 1385 CB GLN A 90 -15.329 -1.876 2.969 1.00 4.34 C ATOM 1386 CG GLN A 90 -16.089 -1.445 4.223 1.00 45.05 C ATOM 1387 CD GLN A 90 -17.600 -1.521 4.060 1.00 33.11 C ATOM 1388 OE1 GLN A 90 -18.237 -0.563 3.624 1.00 20.50 O ATOM 1389 NE2 GLN A 90 -18.185 -2.655 4.418 1.00 43.15 N ATOM 0 H GLN A 90 -14.559 -3.652 4.476 1.00 21.22 H new ATOM 0 HA GLN A 90 -16.557 -3.573 2.476 1.00 3.51 H new ATOM 0 HB2 GLN A 90 -14.269 -1.660 3.104 1.00 4.34 H new ATOM 0 HB3 GLN A 90 -15.670 -1.279 2.124 1.00 4.34 H new ATOM 0 HG2 GLN A 90 -15.787 -2.077 5.059 1.00 45.05 H new ATOM 0 HG3 GLN A 90 -15.808 -0.423 4.478 1.00 45.05 H new ATOM 0 HE21 GLN A 90 -17.623 -3.428 4.775 1.00 43.15 H new ATOM 0 HE22 GLN A 90 -19.197 -2.755 4.336 1.00 43.15 H new ATOM 1398 N TYR A 91 -13.434 -3.813 1.416 1.00 1.11 N ATOM 1399 CA TYR A 91 -12.632 -4.168 0.240 1.00 34.44 C ATOM 1400 C TYR A 91 -12.643 -5.680 -0.008 1.00 55.30 C ATOM 1401 O TYR A 91 -12.275 -6.137 -1.091 1.00 41.03 O ATOM 1402 CB TYR A 91 -11.195 -3.648 0.381 1.00 31.41 C ATOM 1403 CG TYR A 91 -11.096 -2.136 0.285 1.00 31.13 C ATOM 1404 CD1 TYR A 91 -11.106 -1.498 -0.953 1.00 71.24 C ATOM 1405 CD2 TYR A 91 -11.007 -1.347 1.427 1.00 21.13 C ATOM 1406 CE1 TYR A 91 -11.027 -0.123 -1.049 1.00 14.44 C ATOM 1407 CE2 TYR A 91 -10.931 0.030 1.339 1.00 30.13 C ATOM 1408 CZ TYR A 91 -10.942 0.638 0.097 1.00 1.12 C ATOM 1409 OH TYR A 91 -10.868 2.008 0.001 1.00 62.14 O ATOM 0 H TYR A 91 -12.895 -3.659 2.268 1.00 1.11 H new ATOM 0 HA TYR A 91 -13.085 -3.687 -0.627 1.00 34.44 H new ATOM 0 HB2 TYR A 91 -10.790 -3.972 1.340 1.00 31.41 H new ATOM 0 HB3 TYR A 91 -10.575 -4.097 -0.395 1.00 31.41 H new ATOM 0 HD1 TYR A 91 -11.177 -2.089 -1.854 1.00 71.24 H new ATOM 0 HD2 TYR A 91 -10.997 -1.818 2.399 1.00 21.13 H new ATOM 0 HE1 TYR A 91 -11.032 0.354 -2.018 1.00 14.44 H new ATOM 0 HE2 TYR A 91 -10.863 0.628 2.236 1.00 30.13 H new ATOM 0 HH TYR A 91 -10.471 2.372 0.820 1.00 62.14 H new ATOM 1419 N GLY A 92 -13.067 -6.447 0.997 1.00 64.14 N ATOM 1420 CA GLY A 92 -13.196 -7.889 0.839 1.00 1.32 C ATOM 1421 C GLY A 92 -11.857 -8.579 0.660 1.00 62.32 C ATOM 1422 O GLY A 92 -11.659 -9.340 -0.293 1.00 35.04 O ATOM 0 H GLY A 92 -13.324 -6.095 1.919 1.00 64.14 H new ATOM 0 HA2 GLY A 92 -13.700 -8.303 1.713 1.00 1.32 H new ATOM 0 HA3 GLY A 92 -13.828 -8.101 -0.023 1.00 1.32 H new ATOM 1426 N VAL A 93 -10.938 -8.310 1.579 1.00 64.23 N ATOM 1427 CA VAL A 93 -9.611 -8.913 1.544 1.00 42.22 C ATOM 1428 C VAL A 93 -9.680 -10.382 1.985 1.00 32.23 C ATOM 1429 O VAL A 93 -9.985 -10.684 3.143 1.00 45.01 O ATOM 1430 CB VAL A 93 -8.610 -8.119 2.431 1.00 0.41 C ATOM 1431 CG1 VAL A 93 -9.152 -7.931 3.841 1.00 71.11 C ATOM 1432 CG2 VAL A 93 -7.248 -8.803 2.472 1.00 61.11 C ATOM 0 H VAL A 93 -11.089 -7.674 2.362 1.00 64.23 H new ATOM 0 HA VAL A 93 -9.248 -8.875 0.517 1.00 42.22 H new ATOM 0 HB VAL A 93 -8.485 -7.135 1.980 1.00 0.41 H new ATOM 0 HG11 VAL A 93 -8.430 -7.373 4.437 1.00 71.11 H new ATOM 0 HG12 VAL A 93 -10.091 -7.380 3.799 1.00 71.11 H new ATOM 0 HG13 VAL A 93 -9.323 -8.906 4.298 1.00 71.11 H new ATOM 0 HG21 VAL A 93 -6.569 -8.225 3.099 1.00 61.11 H new ATOM 0 HG22 VAL A 93 -7.357 -9.806 2.884 1.00 61.11 H new ATOM 0 HG23 VAL A 93 -6.843 -8.867 1.462 1.00 61.11 H new ATOM 1442 N SER A 94 -9.422 -11.290 1.047 1.00 74.32 N ATOM 1443 CA SER A 94 -9.512 -12.725 1.308 1.00 51.25 C ATOM 1444 C SER A 94 -8.166 -13.271 1.792 1.00 35.14 C ATOM 1445 O SER A 94 -8.074 -13.866 2.870 1.00 42.10 O ATOM 1446 CB SER A 94 -9.971 -13.458 0.035 1.00 14.42 C ATOM 1447 OG SER A 94 -10.166 -14.847 0.264 1.00 4.25 O ATOM 0 H SER A 94 -9.147 -11.056 0.093 1.00 74.32 H new ATOM 0 HA SER A 94 -10.246 -12.895 2.096 1.00 51.25 H new ATOM 0 HB2 SER A 94 -10.900 -13.015 -0.324 1.00 14.42 H new ATOM 0 HB3 SER A 94 -9.228 -13.320 -0.751 1.00 14.42 H new ATOM 0 HG SER A 94 -10.459 -15.278 -0.566 1.00 4.25 H new ATOM 1453 N ALA A 95 -7.122 -13.055 0.992 1.00 72.24 N ATOM 1454 CA ALA A 95 -5.781 -13.535 1.324 1.00 54.33 C ATOM 1455 C ALA A 95 -5.146 -12.647 2.391 1.00 52.31 C ATOM 1456 O ALA A 95 -5.520 -11.483 2.532 1.00 64.14 O ATOM 1457 CB ALA A 95 -4.906 -13.572 0.077 1.00 25.31 C ATOM 0 H ALA A 95 -7.180 -12.550 0.108 1.00 72.24 H new ATOM 0 HA ALA A 95 -5.865 -14.547 1.720 1.00 54.33 H new ATOM 0 HB1 ALA A 95 -3.911 -13.931 0.341 1.00 25.31 H new ATOM 0 HB2 ALA A 95 -5.350 -14.242 -0.659 1.00 25.31 H new ATOM 0 HB3 ALA A 95 -4.830 -12.569 -0.344 1.00 25.31 H new ATOM 1463 N ILE A 96 -4.190 -13.199 3.137 1.00 32.41 N ATOM 1464 CA ILE A 96 -3.491 -12.439 4.173 1.00 53.34 C ATOM 1465 C ILE A 96 -2.579 -11.372 3.544 1.00 73.41 C ATOM 1466 O ILE A 96 -2.780 -10.182 3.777 1.00 13.31 O ATOM 1467 CB ILE A 96 -2.670 -13.363 5.121 1.00 64.12 C ATOM 1468 CG1 ILE A 96 -3.597 -14.326 5.881 1.00 10.15 C ATOM 1469 CG2 ILE A 96 -1.828 -12.541 6.101 1.00 31.30 C ATOM 1470 CD1 ILE A 96 -4.589 -13.639 6.797 1.00 54.22 C ATOM 0 H ILE A 96 -3.882 -14.167 3.044 1.00 32.41 H new ATOM 0 HA ILE A 96 -4.252 -11.943 4.776 1.00 53.34 H new ATOM 0 HB ILE A 96 -1.991 -13.953 4.505 1.00 64.12 H new ATOM 0 HG12 ILE A 96 -4.145 -14.931 5.159 1.00 10.15 H new ATOM 0 HG13 ILE A 96 -2.987 -15.010 6.472 1.00 10.15 H new ATOM 0 HG21 ILE A 96 -1.266 -13.213 6.750 1.00 31.30 H new ATOM 0 HG22 ILE A 96 -1.135 -11.910 5.545 1.00 31.30 H new ATOM 0 HG23 ILE A 96 -2.483 -11.915 6.707 1.00 31.30 H new ATOM 0 HD11 ILE A 96 -5.204 -14.389 7.295 1.00 54.22 H new ATOM 0 HD12 ILE A 96 -4.051 -13.057 7.545 1.00 54.22 H new ATOM 0 HD13 ILE A 96 -5.227 -12.977 6.211 1.00 54.22 H new ATOM 1482 N PRO A 97 -1.585 -11.761 2.702 1.00 23.23 N ATOM 1483 CA PRO A 97 -0.659 -10.805 2.103 1.00 53.34 C ATOM 1484 C PRO A 97 -1.289 -10.111 0.897 1.00 3.45 C ATOM 1485 O PRO A 97 -0.978 -10.426 -0.251 1.00 54.35 O ATOM 1486 CB PRO A 97 0.556 -11.669 1.684 1.00 31.42 C ATOM 1487 CG PRO A 97 0.204 -13.084 2.044 1.00 72.05 C ATOM 1488 CD PRO A 97 -1.290 -13.124 2.234 1.00 52.42 C ATOM 0 HA PRO A 97 -0.382 -10.004 2.789 1.00 53.34 H new ATOM 0 HB2 PRO A 97 0.751 -11.576 0.616 1.00 31.42 H new ATOM 0 HB3 PRO A 97 1.460 -11.348 2.202 1.00 31.42 H new ATOM 0 HG2 PRO A 97 0.512 -13.772 1.257 1.00 72.05 H new ATOM 0 HG3 PRO A 97 0.718 -13.391 2.955 1.00 72.05 H new ATOM 0 HD2 PRO A 97 -1.812 -13.357 1.306 1.00 52.42 H new ATOM 0 HD3 PRO A 97 -1.587 -13.877 2.964 1.00 52.42 H new ATOM 1496 N THR A 98 -2.202 -9.189 1.173 1.00 2.13 N ATOM 1497 CA THR A 98 -2.912 -8.463 0.128 1.00 5.44 C ATOM 1498 C THR A 98 -2.524 -6.985 0.138 1.00 53.01 C ATOM 1499 O THR A 98 -2.609 -6.318 1.168 1.00 51.24 O ATOM 1500 CB THR A 98 -4.440 -8.603 0.311 1.00 2.02 C ATOM 1501 OG1 THR A 98 -4.806 -9.989 0.290 1.00 70.23 O ATOM 1502 CG2 THR A 98 -5.210 -7.857 -0.776 1.00 3.21 C ATOM 0 H THR A 98 -2.470 -8.924 2.121 1.00 2.13 H new ATOM 0 HA THR A 98 -2.630 -8.894 -0.832 1.00 5.44 H new ATOM 0 HB THR A 98 -4.701 -8.162 1.273 1.00 2.02 H new ATOM 0 HG1 THR A 98 -5.027 -10.283 1.198 1.00 70.23 H new ATOM 0 HG21 THR A 98 -6.281 -7.979 -0.613 1.00 3.21 H new ATOM 0 HG22 THR A 98 -4.956 -6.798 -0.740 1.00 3.21 H new ATOM 0 HG23 THR A 98 -4.944 -8.261 -1.753 1.00 3.21 H new ATOM 1510 N ILE A 99 -2.067 -6.486 -1.006 1.00 32.14 N ATOM 1511 CA ILE A 99 -1.706 -5.077 -1.145 1.00 2.01 C ATOM 1512 C ILE A 99 -2.712 -4.362 -2.043 1.00 12.40 C ATOM 1513 O ILE A 99 -2.858 -4.703 -3.218 1.00 31.43 O ATOM 1514 CB ILE A 99 -0.271 -4.887 -1.731 1.00 12.43 C ATOM 1515 CG1 ILE A 99 0.812 -5.316 -0.721 1.00 12.31 C ATOM 1516 CG2 ILE A 99 -0.043 -3.432 -2.163 1.00 4.45 C ATOM 1517 CD1 ILE A 99 0.888 -6.810 -0.468 1.00 34.34 C ATOM 0 H ILE A 99 -1.937 -7.038 -1.854 1.00 32.14 H new ATOM 0 HA ILE A 99 -1.721 -4.646 -0.144 1.00 2.01 H new ATOM 0 HB ILE A 99 -0.191 -5.529 -2.608 1.00 12.43 H new ATOM 0 HG12 ILE A 99 1.782 -4.973 -1.081 1.00 12.31 H new ATOM 0 HG13 ILE A 99 0.627 -4.810 0.226 1.00 12.31 H new ATOM 0 HG21 ILE A 99 0.964 -3.326 -2.568 1.00 4.45 H new ATOM 0 HG22 ILE A 99 -0.772 -3.161 -2.927 1.00 4.45 H new ATOM 0 HG23 ILE A 99 -0.159 -2.774 -1.302 1.00 4.45 H new ATOM 0 HD11 ILE A 99 1.677 -7.017 0.255 1.00 34.34 H new ATOM 0 HD12 ILE A 99 -0.066 -7.161 -0.074 1.00 34.34 H new ATOM 0 HD13 ILE A 99 1.107 -7.327 -1.402 1.00 34.34 H new ATOM 1529 N LEU A 100 -3.407 -3.384 -1.477 1.00 1.10 N ATOM 1530 CA LEU A 100 -4.317 -2.534 -2.236 1.00 33.11 C ATOM 1531 C LEU A 100 -3.538 -1.349 -2.791 1.00 2.53 C ATOM 1532 O LEU A 100 -2.914 -0.611 -2.034 1.00 73.23 O ATOM 1533 CB LEU A 100 -5.452 -2.023 -1.331 1.00 22.51 C ATOM 1534 CG LEU A 100 -6.390 -3.098 -0.762 1.00 12.23 C ATOM 1535 CD1 LEU A 100 -7.318 -2.499 0.293 1.00 14.22 C ATOM 1536 CD2 LEU A 100 -7.199 -3.752 -1.879 1.00 40.41 C ATOM 0 H LEU A 100 -3.357 -3.158 -0.484 1.00 1.10 H new ATOM 0 HA LEU A 100 -4.753 -3.112 -3.051 1.00 33.11 H new ATOM 0 HB2 LEU A 100 -5.009 -1.477 -0.498 1.00 22.51 H new ATOM 0 HB3 LEU A 100 -6.050 -1.310 -1.898 1.00 22.51 H new ATOM 0 HG LEU A 100 -5.780 -3.866 -0.286 1.00 12.23 H new ATOM 0 HD11 LEU A 100 -7.974 -3.276 0.684 1.00 14.22 H new ATOM 0 HD12 LEU A 100 -6.724 -2.083 1.107 1.00 14.22 H new ATOM 0 HD13 LEU A 100 -7.919 -1.709 -0.157 1.00 14.22 H new ATOM 0 HD21 LEU A 100 -7.857 -4.511 -1.455 1.00 40.41 H new ATOM 0 HD22 LEU A 100 -7.797 -2.995 -2.386 1.00 40.41 H new ATOM 0 HD23 LEU A 100 -6.521 -4.218 -2.594 1.00 40.41 H new ATOM 1548 N MET A 101 -3.561 -1.168 -4.099 1.00 55.43 N ATOM 1549 CA MET A 101 -2.836 -0.069 -4.720 1.00 3.31 C ATOM 1550 C MET A 101 -3.779 1.105 -4.962 1.00 2.34 C ATOM 1551 O MET A 101 -4.954 0.912 -5.273 1.00 32.41 O ATOM 1552 CB MET A 101 -2.188 -0.528 -6.040 1.00 64.13 C ATOM 1553 CG MET A 101 -1.252 -1.725 -5.891 1.00 4.50 C ATOM 1554 SD MET A 101 -0.233 -1.993 -7.354 1.00 72.35 S ATOM 1555 CE MET A 101 0.741 -0.489 -7.362 1.00 55.33 C ATOM 0 H MET A 101 -4.071 -1.764 -4.751 1.00 55.43 H new ATOM 0 HA MET A 101 -2.042 0.254 -4.047 1.00 3.31 H new ATOM 0 HB2 MET A 101 -2.975 -0.782 -6.750 1.00 64.13 H new ATOM 0 HB3 MET A 101 -1.630 0.305 -6.467 1.00 64.13 H new ATOM 0 HG2 MET A 101 -0.607 -1.572 -5.026 1.00 4.50 H new ATOM 0 HG3 MET A 101 -1.841 -2.620 -5.694 1.00 4.50 H new ATOM 0 HE1 MET A 101 1.769 -0.723 -7.640 1.00 55.33 H new ATOM 0 HE2 MET A 101 0.321 0.213 -8.083 1.00 55.33 H new ATOM 0 HE3 MET A 101 0.727 -0.041 -6.368 1.00 55.33 H new ATOM 1565 N PHE A 102 -3.266 2.321 -4.798 1.00 31.22 N ATOM 1566 CA PHE A 102 -4.028 3.538 -5.068 1.00 42.21 C ATOM 1567 C PHE A 102 -3.112 4.573 -5.715 1.00 40.05 C ATOM 1568 O PHE A 102 -1.927 4.643 -5.394 1.00 24.04 O ATOM 1569 CB PHE A 102 -4.636 4.105 -3.772 1.00 44.14 C ATOM 1570 CG PHE A 102 -5.609 3.170 -3.096 1.00 61.15 C ATOM 1571 CD1 PHE A 102 -6.916 3.064 -3.546 1.00 44.24 C ATOM 1572 CD2 PHE A 102 -5.212 2.395 -2.013 1.00 35.11 C ATOM 1573 CE1 PHE A 102 -7.808 2.204 -2.933 1.00 23.22 C ATOM 1574 CE2 PHE A 102 -6.101 1.533 -1.399 1.00 62.31 C ATOM 1575 CZ PHE A 102 -7.401 1.438 -1.859 1.00 64.12 C ATOM 0 H PHE A 102 -2.313 2.491 -4.475 1.00 31.22 H new ATOM 0 HA PHE A 102 -4.847 3.298 -5.746 1.00 42.21 H new ATOM 0 HB2 PHE A 102 -3.830 4.341 -3.077 1.00 44.14 H new ATOM 0 HB3 PHE A 102 -5.145 5.042 -4.000 1.00 44.14 H new ATOM 0 HD1 PHE A 102 -7.241 3.660 -4.386 1.00 44.24 H new ATOM 0 HD2 PHE A 102 -4.198 2.467 -1.647 1.00 35.11 H new ATOM 0 HE1 PHE A 102 -8.823 2.131 -3.294 1.00 23.22 H new ATOM 0 HE2 PHE A 102 -5.780 0.934 -0.560 1.00 62.31 H new ATOM 0 HZ PHE A 102 -8.097 0.766 -1.379 1.00 64.12 H new ATOM 1585 N LYS A 103 -3.648 5.371 -6.633 1.00 71.40 N ATOM 1586 CA LYS A 103 -2.850 6.383 -7.322 1.00 64.34 C ATOM 1587 C LYS A 103 -3.552 7.738 -7.263 1.00 10.52 C ATOM 1588 O LYS A 103 -4.513 7.971 -7.988 1.00 40.43 O ATOM 1589 CB LYS A 103 -2.643 5.963 -8.787 1.00 1.33 C ATOM 1590 CG LYS A 103 -1.662 6.832 -9.575 1.00 14.33 C ATOM 1591 CD LYS A 103 -0.210 6.520 -9.220 1.00 4.15 C ATOM 1592 CE LYS A 103 0.768 7.264 -10.122 1.00 50.50 C ATOM 1593 NZ LYS A 103 0.503 7.012 -11.565 1.00 74.14 N ATOM 0 H LYS A 103 -4.627 5.338 -6.917 1.00 71.40 H new ATOM 0 HA LYS A 103 -1.881 6.470 -6.830 1.00 64.34 H new ATOM 0 HB2 LYS A 103 -2.289 4.932 -8.807 1.00 1.33 H new ATOM 0 HB3 LYS A 103 -3.608 5.979 -9.294 1.00 1.33 H new ATOM 0 HG2 LYS A 103 -1.816 6.676 -10.643 1.00 14.33 H new ATOM 0 HG3 LYS A 103 -1.867 7.884 -9.374 1.00 14.33 H new ATOM 0 HD2 LYS A 103 -0.024 6.791 -8.181 1.00 4.15 H new ATOM 0 HD3 LYS A 103 -0.038 5.447 -9.305 1.00 4.15 H new ATOM 0 HE2 LYS A 103 0.702 8.334 -9.923 1.00 50.50 H new ATOM 0 HE3 LYS A 103 1.786 6.958 -9.882 1.00 50.50 H new ATOM 0 HZ1 LYS A 103 1.348 7.255 -12.121 1.00 74.14 H new ATOM 0 HZ2 LYS A 103 0.273 6.008 -11.705 1.00 74.14 H new ATOM 0 HZ3 LYS A 103 -0.297 7.597 -11.878 1.00 74.14 H new ATOM 1607 N ASN A 104 -3.054 8.626 -6.405 1.00 1.24 N ATOM 1608 CA ASN A 104 -3.579 9.995 -6.274 1.00 21.31 C ATOM 1609 C ASN A 104 -5.116 10.017 -6.205 1.00 4.24 C ATOM 1610 O ASN A 104 -5.775 10.814 -6.884 1.00 75.25 O ATOM 1611 CB ASN A 104 -3.077 10.856 -7.445 1.00 71.21 C ATOM 1612 CG ASN A 104 -3.336 12.343 -7.246 1.00 74.23 C ATOM 1613 OD1 ASN A 104 -3.378 12.831 -6.117 1.00 42.42 O ATOM 1614 ND2 ASN A 104 -3.493 13.077 -8.338 1.00 60.31 N ATOM 0 H ASN A 104 -2.275 8.423 -5.778 1.00 1.24 H new ATOM 0 HA ASN A 104 -3.211 10.409 -5.335 1.00 21.31 H new ATOM 0 HB2 ASN A 104 -2.007 10.694 -7.575 1.00 71.21 H new ATOM 0 HB3 ASN A 104 -3.563 10.528 -8.364 1.00 71.21 H new ATOM 0 HD21 ASN A 104 -3.655 14.081 -8.259 1.00 60.31 H new ATOM 0 HD22 ASN A 104 -3.452 12.638 -9.258 1.00 60.31 H new ATOM 1621 N GLY A 105 -5.683 9.144 -5.373 1.00 64.22 N ATOM 1622 CA GLY A 105 -7.134 9.082 -5.207 1.00 25.13 C ATOM 1623 C GLY A 105 -7.826 8.137 -6.185 1.00 3.24 C ATOM 1624 O GLY A 105 -8.990 7.781 -5.992 1.00 73.30 O ATOM 0 H GLY A 105 -5.163 8.474 -4.807 1.00 64.22 H new ATOM 0 HA2 GLY A 105 -7.361 8.766 -4.189 1.00 25.13 H new ATOM 0 HA3 GLY A 105 -7.547 10.083 -5.329 1.00 25.13 H new ATOM 1628 N LYS A 106 -7.122 7.746 -7.238 1.00 74.54 N ATOM 1629 CA LYS A 106 -7.655 6.826 -8.248 1.00 1.32 C ATOM 1630 C LYS A 106 -7.510 5.373 -7.793 1.00 63.25 C ATOM 1631 O LYS A 106 -6.531 5.023 -7.126 1.00 14.05 O ATOM 1632 CB LYS A 106 -6.921 7.045 -9.585 1.00 44.13 C ATOM 1633 CG LYS A 106 -7.141 5.946 -10.624 1.00 73.34 C ATOM 1634 CD LYS A 106 -6.382 6.230 -11.921 1.00 24.12 C ATOM 1635 CE LYS A 106 -6.378 5.023 -12.855 1.00 72.25 C ATOM 1636 NZ LYS A 106 -7.751 4.564 -13.189 1.00 61.12 N ATOM 0 H LYS A 106 -6.167 8.054 -7.421 1.00 74.54 H new ATOM 0 HA LYS A 106 -8.717 7.031 -8.383 1.00 1.32 H new ATOM 0 HB2 LYS A 106 -7.243 7.996 -10.009 1.00 44.13 H new ATOM 0 HB3 LYS A 106 -5.852 7.130 -9.387 1.00 44.13 H new ATOM 0 HG2 LYS A 106 -6.817 4.989 -10.215 1.00 73.34 H new ATOM 0 HG3 LYS A 106 -8.206 5.856 -10.838 1.00 73.34 H new ATOM 0 HD2 LYS A 106 -6.837 7.080 -12.429 1.00 24.12 H new ATOM 0 HD3 LYS A 106 -5.355 6.511 -11.687 1.00 24.12 H new ATOM 0 HE2 LYS A 106 -5.849 5.279 -13.773 1.00 72.25 H new ATOM 0 HE3 LYS A 106 -5.828 4.206 -12.387 1.00 72.25 H new ATOM 0 HZ1 LYS A 106 -7.703 3.833 -13.928 1.00 61.12 H new ATOM 0 HZ2 LYS A 106 -8.201 4.168 -12.339 1.00 61.12 H new ATOM 0 HZ3 LYS A 106 -8.312 5.369 -13.534 1.00 61.12 H new ATOM 1650 N LYS A 107 -8.491 4.534 -8.143 1.00 43.42 N ATOM 1651 CA LYS A 107 -8.428 3.107 -7.832 1.00 23.33 C ATOM 1652 C LYS A 107 -7.334 2.435 -8.665 1.00 14.41 C ATOM 1653 O LYS A 107 -7.149 2.749 -9.842 1.00 4.42 O ATOM 1654 CB LYS A 107 -9.782 2.416 -8.075 1.00 61.12 C ATOM 1655 CG LYS A 107 -9.810 0.944 -7.648 1.00 0.14 C ATOM 1656 CD LYS A 107 -9.606 0.776 -6.138 1.00 0.03 C ATOM 1657 CE LYS A 107 -9.514 -0.693 -5.728 1.00 30.23 C ATOM 1658 NZ LYS A 107 -10.763 -1.438 -6.031 1.00 71.01 N ATOM 0 H LYS A 107 -9.334 4.820 -8.640 1.00 43.42 H new ATOM 0 HA LYS A 107 -8.188 3.005 -6.774 1.00 23.33 H new ATOM 0 HB2 LYS A 107 -10.558 2.957 -7.533 1.00 61.12 H new ATOM 0 HB3 LYS A 107 -10.028 2.482 -9.135 1.00 61.12 H new ATOM 0 HG2 LYS A 107 -10.764 0.502 -7.936 1.00 0.14 H new ATOM 0 HG3 LYS A 107 -9.032 0.398 -8.181 1.00 0.14 H new ATOM 0 HD2 LYS A 107 -8.695 1.293 -5.836 1.00 0.03 H new ATOM 0 HD3 LYS A 107 -10.432 1.249 -5.607 1.00 0.03 H new ATOM 0 HE2 LYS A 107 -8.678 -1.162 -6.247 1.00 30.23 H new ATOM 0 HE3 LYS A 107 -9.304 -0.758 -4.661 1.00 30.23 H new ATOM 0 HZ1 LYS A 107 -10.695 -2.402 -5.646 1.00 71.01 H new ATOM 0 HZ2 LYS A 107 -11.573 -0.949 -5.599 1.00 71.01 H new ATOM 0 HZ3 LYS A 107 -10.897 -1.486 -7.061 1.00 71.01 H new ATOM 1672 N LEU A 108 -6.648 1.494 -8.041 1.00 1.33 N ATOM 1673 CA LEU A 108 -5.434 0.882 -8.567 1.00 45.13 C ATOM 1674 C LEU A 108 -5.396 -0.589 -8.143 1.00 1.44 C ATOM 1675 O LEU A 108 -6.211 -1.019 -7.323 1.00 32.35 O ATOM 1676 CB LEU A 108 -4.171 1.654 -8.131 1.00 52.34 C ATOM 1677 CG LEU A 108 -3.271 2.174 -9.274 1.00 31.03 C ATOM 1678 CD1 LEU A 108 -2.670 1.021 -10.071 1.00 75.42 C ATOM 1679 CD2 LEU A 108 -4.048 3.112 -10.198 1.00 61.12 C ATOM 0 H LEU A 108 -6.924 1.123 -7.132 1.00 1.33 H new ATOM 0 HA LEU A 108 -5.446 0.930 -9.656 1.00 45.13 H new ATOM 0 HB2 LEU A 108 -4.480 2.504 -7.522 1.00 52.34 H new ATOM 0 HB3 LEU A 108 -3.574 1.004 -7.491 1.00 52.34 H new ATOM 0 HG LEU A 108 -2.454 2.736 -8.820 1.00 31.03 H new ATOM 0 HD11 LEU A 108 -2.042 1.418 -10.868 1.00 75.42 H new ATOM 0 HD12 LEU A 108 -2.067 0.397 -9.411 1.00 75.42 H new ATOM 0 HD13 LEU A 108 -3.471 0.422 -10.505 1.00 75.42 H new ATOM 0 HD21 LEU A 108 -3.392 3.464 -10.994 1.00 61.12 H new ATOM 0 HD22 LEU A 108 -4.892 2.577 -10.633 1.00 61.12 H new ATOM 0 HD23 LEU A 108 -4.415 3.965 -9.626 1.00 61.12 H new ATOM 1691 N SER A 109 -4.479 -1.353 -8.718 1.00 53.13 N ATOM 1692 CA SER A 109 -4.534 -2.810 -8.719 1.00 72.52 C ATOM 1693 C SER A 109 -4.298 -3.408 -7.327 1.00 75.34 C ATOM 1694 O SER A 109 -4.017 -2.701 -6.364 1.00 24.25 O ATOM 1695 CB SER A 109 -3.419 -3.303 -9.654 1.00 73.25 C ATOM 1696 OG SER A 109 -3.776 -3.171 -11.019 1.00 30.05 O ATOM 0 H SER A 109 -3.665 -0.975 -9.203 1.00 53.13 H new ATOM 0 HA SER A 109 -5.527 -3.122 -9.044 1.00 72.52 H new ATOM 0 HB2 SER A 109 -2.507 -2.738 -9.461 1.00 73.25 H new ATOM 0 HB3 SER A 109 -3.198 -4.348 -9.436 1.00 73.25 H new ATOM 0 HG SER A 109 -2.966 -3.069 -11.561 1.00 30.05 H new ATOM 1702 N GLN A 110 -4.472 -4.720 -7.223 1.00 50.30 N ATOM 1703 CA GLN A 110 -4.342 -5.420 -5.953 1.00 65.14 C ATOM 1704 C GLN A 110 -3.343 -6.560 -6.096 1.00 2.24 C ATOM 1705 O GLN A 110 -3.507 -7.429 -6.954 1.00 64.14 O ATOM 1706 CB GLN A 110 -5.710 -5.968 -5.513 1.00 52.45 C ATOM 1707 CG GLN A 110 -5.764 -6.410 -4.058 1.00 50.22 C ATOM 1708 CD GLN A 110 -7.091 -7.049 -3.691 1.00 15.31 C ATOM 1709 OE1 GLN A 110 -8.055 -6.362 -3.353 1.00 42.41 O ATOM 1710 NE2 GLN A 110 -7.143 -8.372 -3.724 1.00 54.24 N ATOM 0 H GLN A 110 -4.705 -5.324 -8.011 1.00 50.30 H new ATOM 0 HA GLN A 110 -3.982 -4.724 -5.195 1.00 65.14 H new ATOM 0 HB2 GLN A 110 -6.466 -5.200 -5.677 1.00 52.45 H new ATOM 0 HB3 GLN A 110 -5.972 -6.814 -6.148 1.00 52.45 H new ATOM 0 HG2 GLN A 110 -4.958 -7.119 -3.867 1.00 50.22 H new ATOM 0 HG3 GLN A 110 -5.589 -5.548 -3.414 1.00 50.22 H new ATOM 0 HE21 GLN A 110 -6.323 -8.908 -4.010 1.00 54.24 H new ATOM 0 HE22 GLN A 110 -8.003 -8.855 -3.464 1.00 54.24 H new ATOM 1719 N VAL A 111 -2.302 -6.542 -5.279 1.00 21.31 N ATOM 1720 CA VAL A 111 -1.298 -7.598 -5.290 1.00 63.23 C ATOM 1721 C VAL A 111 -1.659 -8.671 -4.267 1.00 11.11 C ATOM 1722 O VAL A 111 -1.621 -8.425 -3.060 1.00 61.21 O ATOM 1723 CB VAL A 111 0.116 -7.044 -4.985 1.00 54.31 C ATOM 1724 CG1 VAL A 111 1.156 -8.164 -5.001 1.00 74.33 C ATOM 1725 CG2 VAL A 111 0.490 -5.939 -5.973 1.00 62.11 C ATOM 0 H VAL A 111 -2.128 -5.805 -4.596 1.00 21.31 H new ATOM 0 HA VAL A 111 -1.283 -8.031 -6.290 1.00 63.23 H new ATOM 0 HB VAL A 111 0.102 -6.613 -3.984 1.00 54.31 H new ATOM 0 HG11 VAL A 111 2.140 -7.749 -4.784 1.00 74.33 H new ATOM 0 HG12 VAL A 111 0.901 -8.908 -4.246 1.00 74.33 H new ATOM 0 HG13 VAL A 111 1.169 -8.634 -5.984 1.00 74.33 H new ATOM 0 HG21 VAL A 111 1.487 -5.565 -5.740 1.00 62.11 H new ATOM 0 HG22 VAL A 111 0.480 -6.339 -6.987 1.00 62.11 H new ATOM 0 HG23 VAL A 111 -0.230 -5.124 -5.898 1.00 62.11 H new ATOM 1735 N ILE A 112 -2.043 -9.847 -4.753 1.00 5.15 N ATOM 1736 CA ILE A 112 -2.371 -10.972 -3.885 1.00 3.54 C ATOM 1737 C ILE A 112 -1.142 -11.858 -3.703 1.00 43.44 C ATOM 1738 O ILE A 112 -0.573 -12.350 -4.683 1.00 61.54 O ATOM 1739 CB ILE A 112 -3.539 -11.835 -4.448 1.00 43.12 C ATOM 1740 CG1 ILE A 112 -4.831 -11.009 -4.614 1.00 13.53 C ATOM 1741 CG2 ILE A 112 -3.800 -13.041 -3.544 1.00 64.15 C ATOM 1742 CD1 ILE A 112 -4.821 -10.058 -5.794 1.00 43.24 C ATOM 0 H ILE A 112 -2.135 -10.046 -5.749 1.00 5.15 H new ATOM 0 HA ILE A 112 -2.691 -10.557 -2.929 1.00 3.54 H new ATOM 0 HB ILE A 112 -3.237 -12.187 -5.435 1.00 43.12 H new ATOM 0 HG12 ILE A 112 -5.673 -11.693 -4.722 1.00 13.53 H new ATOM 0 HG13 ILE A 112 -5.000 -10.436 -3.703 1.00 13.53 H new ATOM 0 HG21 ILE A 112 -4.619 -13.632 -3.953 1.00 64.15 H new ATOM 0 HG22 ILE A 112 -2.901 -13.656 -3.489 1.00 64.15 H new ATOM 0 HG23 ILE A 112 -4.066 -12.696 -2.545 1.00 64.15 H new ATOM 0 HD11 ILE A 112 -5.767 -9.519 -5.835 1.00 43.24 H new ATOM 0 HD12 ILE A 112 -4.003 -9.347 -5.681 1.00 43.24 H new ATOM 0 HD13 ILE A 112 -4.686 -10.624 -6.716 1.00 43.24 H new ATOM 1754 N GLY A 113 -0.731 -12.045 -2.455 1.00 61.22 N ATOM 1755 CA GLY A 113 0.409 -12.890 -2.150 1.00 75.24 C ATOM 1756 C GLY A 113 1.677 -12.087 -1.932 1.00 65.14 C ATOM 1757 O GLY A 113 1.876 -11.042 -2.559 1.00 62.22 O ATOM 0 H GLY A 113 -1.173 -11.621 -1.639 1.00 61.22 H new ATOM 0 HA2 GLY A 113 0.195 -13.477 -1.257 1.00 75.24 H new ATOM 0 HA3 GLY A 113 0.564 -13.596 -2.966 1.00 75.24 H new ATOM 1761 N ALA A 114 2.536 -12.574 -1.041 1.00 33.33 N ATOM 1762 CA ALA A 114 3.801 -11.915 -0.748 1.00 53.32 C ATOM 1763 C ALA A 114 4.774 -12.100 -1.911 1.00 72.23 C ATOM 1764 O ALA A 114 5.657 -12.963 -1.869 1.00 71.04 O ATOM 1765 CB ALA A 114 4.393 -12.457 0.552 1.00 62.23 C ATOM 0 H ALA A 114 2.376 -13.428 -0.507 1.00 33.33 H new ATOM 0 HA ALA A 114 3.622 -10.847 -0.620 1.00 53.32 H new ATOM 0 HB1 ALA A 114 5.338 -11.955 0.758 1.00 62.23 H new ATOM 0 HB2 ALA A 114 3.699 -12.274 1.372 1.00 62.23 H new ATOM 0 HB3 ALA A 114 4.565 -13.529 0.454 1.00 62.23 H new ATOM 1771 N ASP A 115 4.573 -11.323 -2.970 1.00 35.22 N ATOM 1772 CA ASP A 115 5.447 -11.372 -4.140 1.00 61.33 C ATOM 1773 C ASP A 115 5.985 -9.980 -4.444 1.00 32.01 C ATOM 1774 O ASP A 115 5.318 -9.157 -5.086 1.00 21.25 O ATOM 1775 CB ASP A 115 4.703 -11.950 -5.352 1.00 62.10 C ATOM 1776 CG ASP A 115 5.645 -12.324 -6.489 1.00 34.23 C ATOM 1777 OD1 ASP A 115 6.237 -13.424 -6.437 1.00 54.10 O ATOM 1778 OD2 ASP A 115 5.800 -11.524 -7.432 1.00 14.33 O ATOM 0 H ASP A 115 3.811 -10.649 -3.044 1.00 35.22 H new ATOM 0 HA ASP A 115 6.288 -12.030 -3.923 1.00 61.33 H new ATOM 0 HB2 ASP A 115 4.142 -12.832 -5.043 1.00 62.10 H new ATOM 0 HB3 ASP A 115 3.977 -11.220 -5.711 1.00 62.10 H new ATOM 1783 N ILE A 116 7.196 -9.722 -3.965 1.00 63.03 N ATOM 1784 CA ILE A 116 7.802 -8.403 -4.062 1.00 71.03 C ATOM 1785 C ILE A 116 8.056 -8.054 -5.529 1.00 55.50 C ATOM 1786 O ILE A 116 8.065 -6.884 -5.904 1.00 31.21 O ATOM 1787 CB ILE A 116 9.121 -8.328 -3.226 1.00 22.13 C ATOM 1788 CG1 ILE A 116 9.267 -6.958 -2.528 1.00 51.24 C ATOM 1789 CG2 ILE A 116 10.351 -8.622 -4.086 1.00 70.03 C ATOM 1790 CD1 ILE A 116 9.429 -5.781 -3.465 1.00 71.24 C ATOM 0 H ILE A 116 7.781 -10.417 -3.502 1.00 63.03 H new ATOM 0 HA ILE A 116 7.112 -7.669 -3.646 1.00 71.03 H new ATOM 0 HB ILE A 116 9.055 -9.098 -2.458 1.00 22.13 H new ATOM 0 HG12 ILE A 116 8.390 -6.789 -1.904 1.00 51.24 H new ATOM 0 HG13 ILE A 116 10.129 -6.996 -1.862 1.00 51.24 H new ATOM 0 HG21 ILE A 116 11.248 -8.561 -3.470 1.00 70.03 H new ATOM 0 HG22 ILE A 116 10.269 -9.623 -4.509 1.00 70.03 H new ATOM 0 HG23 ILE A 116 10.414 -7.892 -4.893 1.00 70.03 H new ATOM 0 HD11 ILE A 116 9.524 -4.864 -2.884 1.00 71.24 H new ATOM 0 HD12 ILE A 116 10.323 -5.920 -4.073 1.00 71.24 H new ATOM 0 HD13 ILE A 116 8.557 -5.710 -4.115 1.00 71.24 H new ATOM 1802 N SER A 117 8.227 -9.083 -6.357 1.00 44.23 N ATOM 1803 CA SER A 117 8.433 -8.893 -7.785 1.00 51.44 C ATOM 1804 C SER A 117 7.196 -8.245 -8.407 1.00 42.11 C ATOM 1805 O SER A 117 7.303 -7.275 -9.158 1.00 73.12 O ATOM 1806 CB SER A 117 8.738 -10.233 -8.463 1.00 71.22 C ATOM 1807 OG SER A 117 9.054 -10.057 -9.834 1.00 64.01 O ATOM 0 H SER A 117 8.226 -10.058 -6.059 1.00 44.23 H new ATOM 0 HA SER A 117 9.287 -8.233 -7.935 1.00 51.44 H new ATOM 0 HB2 SER A 117 9.571 -10.719 -7.955 1.00 71.22 H new ATOM 0 HB3 SER A 117 7.877 -10.895 -8.368 1.00 71.22 H new ATOM 0 HG SER A 117 9.245 -10.928 -10.240 1.00 64.01 H new ATOM 1813 N LYS A 118 6.024 -8.777 -8.074 1.00 30.42 N ATOM 1814 CA LYS A 118 4.765 -8.218 -8.550 1.00 22.44 C ATOM 1815 C LYS A 118 4.555 -6.822 -7.973 1.00 34.32 C ATOM 1816 O LYS A 118 4.159 -5.898 -8.688 1.00 43.31 O ATOM 1817 CB LYS A 118 3.587 -9.131 -8.180 1.00 15.24 C ATOM 1818 CG LYS A 118 2.225 -8.582 -8.604 1.00 4.42 C ATOM 1819 CD LYS A 118 2.143 -8.352 -10.114 1.00 73.11 C ATOM 1820 CE LYS A 118 0.863 -7.624 -10.508 1.00 52.22 C ATOM 1821 NZ LYS A 118 -0.357 -8.411 -10.186 1.00 33.25 N ATOM 0 H LYS A 118 5.921 -9.596 -7.475 1.00 30.42 H new ATOM 0 HA LYS A 118 4.812 -8.146 -9.637 1.00 22.44 H new ATOM 0 HB2 LYS A 118 3.736 -10.106 -8.644 1.00 15.24 H new ATOM 0 HB3 LYS A 118 3.586 -9.288 -7.101 1.00 15.24 H new ATOM 0 HG2 LYS A 118 1.443 -9.278 -8.301 1.00 4.42 H new ATOM 0 HG3 LYS A 118 2.035 -7.643 -8.084 1.00 4.42 H new ATOM 0 HD2 LYS A 118 3.006 -7.772 -10.441 1.00 73.11 H new ATOM 0 HD3 LYS A 118 2.189 -9.311 -10.631 1.00 73.11 H new ATOM 0 HE2 LYS A 118 0.820 -6.665 -9.992 1.00 52.22 H new ATOM 0 HE3 LYS A 118 0.883 -7.411 -11.577 1.00 52.22 H new ATOM 0 HZ1 LYS A 118 -1.199 -7.898 -10.518 1.00 33.25 H new ATOM 0 HZ2 LYS A 118 -0.307 -9.337 -10.657 1.00 33.25 H new ATOM 0 HZ3 LYS A 118 -0.419 -8.549 -9.157 1.00 33.25 H new ATOM 1835 N ILE A 119 4.830 -6.674 -6.677 1.00 22.24 N ATOM 1836 CA ILE A 119 4.687 -5.380 -6.012 1.00 52.13 C ATOM 1837 C ILE A 119 5.516 -4.309 -6.729 1.00 25.43 C ATOM 1838 O ILE A 119 4.980 -3.296 -7.189 1.00 60.04 O ATOM 1839 CB ILE A 119 5.122 -5.457 -4.523 1.00 51.03 C ATOM 1840 CG1 ILE A 119 4.238 -6.458 -3.758 1.00 2.24 C ATOM 1841 CG2 ILE A 119 5.068 -4.078 -3.866 1.00 41.15 C ATOM 1842 CD1 ILE A 119 4.624 -6.641 -2.301 1.00 3.42 C ATOM 0 H ILE A 119 5.151 -7.429 -6.071 1.00 22.24 H new ATOM 0 HA ILE A 119 3.632 -5.109 -6.053 1.00 52.13 H new ATOM 0 HB ILE A 119 6.154 -5.806 -4.486 1.00 51.03 H new ATOM 0 HG12 ILE A 119 3.202 -6.123 -3.809 1.00 2.24 H new ATOM 0 HG13 ILE A 119 4.286 -7.425 -4.259 1.00 2.24 H new ATOM 0 HG21 ILE A 119 5.377 -4.159 -2.824 1.00 41.15 H new ATOM 0 HG22 ILE A 119 5.739 -3.398 -4.392 1.00 41.15 H new ATOM 0 HG23 ILE A 119 4.050 -3.692 -3.913 1.00 41.15 H new ATOM 0 HD11 ILE A 119 3.952 -7.362 -1.834 1.00 3.42 H new ATOM 0 HD12 ILE A 119 5.649 -7.007 -2.239 1.00 3.42 H new ATOM 0 HD13 ILE A 119 4.548 -5.686 -1.782 1.00 3.42 H new ATOM 1854 N ILE A 120 6.816 -4.561 -6.864 1.00 23.24 N ATOM 1855 CA ILE A 120 7.720 -3.607 -7.498 1.00 62.23 C ATOM 1856 C ILE A 120 7.350 -3.418 -8.968 1.00 40.42 C ATOM 1857 O ILE A 120 7.494 -2.319 -9.515 1.00 54.34 O ATOM 1858 CB ILE A 120 9.211 -4.022 -7.365 1.00 71.24 C ATOM 1859 CG1 ILE A 120 10.132 -2.877 -7.823 1.00 31.33 C ATOM 1860 CG2 ILE A 120 9.507 -5.293 -8.159 1.00 20.53 C ATOM 1861 CD1 ILE A 120 11.612 -3.180 -7.668 1.00 61.21 C ATOM 0 H ILE A 120 7.266 -5.418 -6.543 1.00 23.24 H new ATOM 0 HA ILE A 120 7.603 -2.659 -6.972 1.00 62.23 H new ATOM 0 HB ILE A 120 9.406 -4.231 -6.313 1.00 71.24 H new ATOM 0 HG12 ILE A 120 9.924 -2.653 -8.869 1.00 31.33 H new ATOM 0 HG13 ILE A 120 9.893 -1.980 -7.251 1.00 31.33 H new ATOM 0 HG21 ILE A 120 10.559 -5.557 -8.045 1.00 20.53 H new ATOM 0 HG22 ILE A 120 8.886 -6.108 -7.786 1.00 20.53 H new ATOM 0 HG23 ILE A 120 9.288 -5.123 -9.213 1.00 20.53 H new ATOM 0 HD11 ILE A 120 12.196 -2.326 -8.012 1.00 61.21 H new ATOM 0 HD12 ILE A 120 11.836 -3.374 -6.619 1.00 61.21 H new ATOM 0 HD13 ILE A 120 11.868 -4.057 -8.262 1.00 61.21 H new ATOM 1873 N SER A 121 6.869 -4.493 -9.598 1.00 40.40 N ATOM 1874 CA SER A 121 6.449 -4.445 -10.996 1.00 42.12 C ATOM 1875 C SER A 121 5.371 -3.380 -11.183 1.00 70.40 C ATOM 1876 O SER A 121 5.511 -2.487 -12.022 1.00 33.25 O ATOM 1877 CB SER A 121 5.935 -5.821 -11.450 1.00 12.13 C ATOM 1878 OG SER A 121 5.611 -5.827 -12.833 1.00 43.14 O ATOM 0 H SER A 121 6.762 -5.407 -9.159 1.00 40.40 H new ATOM 0 HA SER A 121 7.309 -4.182 -11.612 1.00 42.12 H new ATOM 0 HB2 SER A 121 6.694 -6.578 -11.250 1.00 12.13 H new ATOM 0 HB3 SER A 121 5.054 -6.091 -10.868 1.00 12.13 H new ATOM 0 HG SER A 121 5.289 -6.716 -13.090 1.00 43.14 H new ATOM 1884 N GLU A 122 4.319 -3.450 -10.367 1.00 54.33 N ATOM 1885 CA GLU A 122 3.246 -2.465 -10.435 1.00 41.22 C ATOM 1886 C GLU A 122 3.765 -1.083 -10.038 1.00 55.02 C ATOM 1887 O GLU A 122 3.366 -0.075 -10.624 1.00 73.45 O ATOM 1888 CB GLU A 122 2.052 -2.869 -9.549 1.00 24.20 C ATOM 1889 CG GLU A 122 1.116 -3.909 -10.171 1.00 51.22 C ATOM 1890 CD GLU A 122 0.485 -3.434 -11.477 1.00 74.44 C ATOM 1891 OE1 GLU A 122 1.146 -3.538 -12.536 1.00 14.52 O ATOM 1892 OE2 GLU A 122 -0.678 -2.968 -11.456 1.00 24.12 O ATOM 0 H GLU A 122 4.190 -4.172 -9.658 1.00 54.33 H new ATOM 0 HA GLU A 122 2.895 -2.426 -11.466 1.00 41.22 H new ATOM 0 HB2 GLU A 122 2.433 -3.261 -8.606 1.00 24.20 H new ATOM 0 HB3 GLU A 122 1.474 -1.976 -9.312 1.00 24.20 H new ATOM 0 HG2 GLU A 122 1.673 -4.828 -10.355 1.00 51.22 H new ATOM 0 HG3 GLU A 122 0.327 -4.152 -9.459 1.00 51.22 H new ATOM 1899 N ILE A 123 4.667 -1.034 -9.055 1.00 55.31 N ATOM 1900 CA ILE A 123 5.240 0.241 -8.617 1.00 61.11 C ATOM 1901 C ILE A 123 5.895 0.983 -9.788 1.00 13.41 C ATOM 1902 O ILE A 123 5.524 2.122 -10.102 1.00 11.04 O ATOM 1903 CB ILE A 123 6.281 0.051 -7.478 1.00 13.42 C ATOM 1904 CG1 ILE A 123 5.595 -0.459 -6.200 1.00 53.33 C ATOM 1905 CG2 ILE A 123 7.041 1.352 -7.198 1.00 53.41 C ATOM 1906 CD1 ILE A 123 6.545 -0.693 -5.039 1.00 35.41 C ATOM 0 H ILE A 123 5.013 -1.851 -8.552 1.00 55.31 H new ATOM 0 HA ILE A 123 4.413 0.837 -8.230 1.00 61.11 H new ATOM 0 HB ILE A 123 7.004 -0.695 -7.806 1.00 13.42 H new ATOM 0 HG12 ILE A 123 4.836 0.262 -5.895 1.00 53.33 H new ATOM 0 HG13 ILE A 123 5.077 -1.391 -6.426 1.00 53.33 H new ATOM 0 HG21 ILE A 123 7.762 1.187 -6.397 1.00 53.41 H new ATOM 0 HG22 ILE A 123 7.566 1.668 -8.099 1.00 53.41 H new ATOM 0 HG23 ILE A 123 6.336 2.128 -6.898 1.00 53.41 H new ATOM 0 HD11 ILE A 123 5.984 -1.052 -4.176 1.00 35.41 H new ATOM 0 HD12 ILE A 123 7.289 -1.437 -5.322 1.00 35.41 H new ATOM 0 HD13 ILE A 123 7.045 0.241 -4.784 1.00 35.41 H new ATOM 1918 N ASN A 124 6.843 0.329 -10.457 1.00 12.11 N ATOM 1919 CA ASN A 124 7.569 0.969 -11.552 1.00 53.31 C ATOM 1920 C ASN A 124 6.664 1.132 -12.767 1.00 20.40 C ATOM 1921 O ASN A 124 6.861 2.036 -13.572 1.00 21.45 O ATOM 1922 CB ASN A 124 8.851 0.207 -11.931 1.00 42.11 C ATOM 1923 CG ASN A 124 8.594 -1.078 -12.702 1.00 51.45 C ATOM 1924 OD1 ASN A 124 8.440 -1.061 -13.923 1.00 33.44 O ATOM 1925 ND2 ASN A 124 8.580 -2.198 -12.004 1.00 74.32 N ATOM 0 H ASN A 124 7.124 -0.632 -10.263 1.00 12.11 H new ATOM 0 HA ASN A 124 7.876 1.954 -11.201 1.00 53.31 H new ATOM 0 HB2 ASN A 124 9.486 0.859 -12.530 1.00 42.11 H new ATOM 0 HB3 ASN A 124 9.404 -0.030 -11.022 1.00 42.11 H new ATOM 0 HD21 ASN A 124 8.438 -3.091 -12.476 1.00 74.32 H new ATOM 0 HD22 ASN A 124 8.711 -2.170 -10.993 1.00 74.32 H new ATOM 1932 N ASN A 125 5.674 0.249 -12.895 1.00 4.14 N ATOM 1933 CA ASN A 125 4.688 0.345 -13.973 1.00 32.43 C ATOM 1934 C ASN A 125 3.836 1.604 -13.809 1.00 75.45 C ATOM 1935 O ASN A 125 3.438 2.228 -14.792 1.00 35.53 O ATOM 1936 CB ASN A 125 3.793 -0.906 -13.994 1.00 64.35 C ATOM 1937 CG ASN A 125 2.737 -0.872 -15.094 1.00 42.23 C ATOM 1938 OD1 ASN A 125 2.923 -0.240 -16.137 1.00 70.11 O ATOM 1939 ND2 ASN A 125 1.627 -1.565 -14.874 1.00 20.24 N ATOM 0 H ASN A 125 5.533 -0.541 -12.266 1.00 4.14 H new ATOM 0 HA ASN A 125 5.220 0.408 -14.922 1.00 32.43 H new ATOM 0 HB2 ASN A 125 4.418 -1.789 -14.126 1.00 64.35 H new ATOM 0 HB3 ASN A 125 3.299 -1.007 -13.028 1.00 64.35 H new ATOM 0 HD21 ASN A 125 0.891 -1.587 -15.580 1.00 20.24 H new ATOM 0 HD22 ASN A 125 1.509 -2.075 -13.999 1.00 20.24 H new ATOM 1946 N ASN A 126 3.566 1.975 -12.560 1.00 40.45 N ATOM 1947 CA ASN A 126 2.769 3.168 -12.262 1.00 41.13 C ATOM 1948 C ASN A 126 3.604 4.440 -12.389 1.00 11.25 C ATOM 1949 O ASN A 126 3.138 5.445 -12.934 1.00 40.40 O ATOM 1950 CB ASN A 126 2.151 3.077 -10.855 1.00 31.22 C ATOM 1951 CG ASN A 126 0.801 2.377 -10.850 1.00 5.22 C ATOM 1952 OD1 ASN A 126 -0.240 3.025 -10.943 1.00 15.14 O ATOM 1953 ND2 ASN A 126 0.806 1.057 -10.748 1.00 61.31 N ATOM 0 H ASN A 126 3.887 1.468 -11.735 1.00 40.45 H new ATOM 0 HA ASN A 126 1.964 3.215 -12.995 1.00 41.13 H new ATOM 0 HB2 ASN A 126 2.835 2.542 -10.196 1.00 31.22 H new ATOM 0 HB3 ASN A 126 2.036 4.081 -10.448 1.00 31.22 H new ATOM 0 HD21 ASN A 126 -0.075 0.542 -10.745 1.00 61.31 H new ATOM 0 HD22 ASN A 126 1.691 0.555 -10.673 1.00 61.31 H new ATOM 1960 N ILE A 127 4.831 4.403 -11.876 1.00 51.21 N ATOM 1961 CA ILE A 127 5.720 5.562 -11.955 1.00 21.14 C ATOM 1962 C ILE A 127 6.174 5.799 -13.396 1.00 65.32 C ATOM 1963 O ILE A 127 6.139 6.924 -13.896 1.00 60.21 O ATOM 1964 CB ILE A 127 6.966 5.398 -11.047 1.00 13.32 C ATOM 1965 CG1 ILE A 127 6.543 5.154 -9.586 1.00 14.34 C ATOM 1966 CG2 ILE A 127 7.876 6.628 -11.145 1.00 34.52 C ATOM 1967 CD1 ILE A 127 7.708 4.983 -8.633 1.00 1.22 C ATOM 0 H ILE A 127 5.231 3.592 -11.405 1.00 51.21 H new ATOM 0 HA ILE A 127 5.150 6.422 -11.605 1.00 21.14 H new ATOM 0 HB ILE A 127 7.527 4.530 -11.393 1.00 13.32 H new ATOM 0 HG12 ILE A 127 5.931 5.991 -9.250 1.00 14.34 H new ATOM 0 HG13 ILE A 127 5.916 4.263 -9.543 1.00 14.34 H new ATOM 0 HG21 ILE A 127 8.744 6.491 -10.500 1.00 34.52 H new ATOM 0 HG22 ILE A 127 8.207 6.755 -12.176 1.00 34.52 H new ATOM 0 HG23 ILE A 127 7.325 7.514 -10.829 1.00 34.52 H new ATOM 0 HD11 ILE A 127 7.331 4.815 -7.624 1.00 1.22 H new ATOM 0 HD12 ILE A 127 8.309 4.128 -8.943 1.00 1.22 H new ATOM 0 HD13 ILE A 127 8.323 5.883 -8.645 1.00 1.22 H new ATOM 1979 N ASN A 128 6.579 4.726 -14.060 1.00 54.23 N ATOM 1980 CA ASN A 128 7.095 4.801 -15.424 1.00 2.12 C ATOM 1981 C ASN A 128 6.196 3.997 -16.363 1.00 42.02 C ATOM 1982 O ASN A 128 5.311 4.603 -17.002 1.00 53.14 O ATOM 1983 CB ASN A 128 8.543 4.282 -15.491 1.00 0.21 C ATOM 1984 CG ASN A 128 9.503 5.106 -14.648 1.00 74.23 C ATOM 1985 OD1 ASN A 128 10.092 6.076 -15.121 1.00 32.42 O ATOM 1986 ND2 ASN A 128 9.666 4.724 -13.390 1.00 73.15 N ATOM 1987 OXT ASN A 128 6.358 2.762 -16.441 1.00 0.00 O ATOM 0 H ASN A 128 6.561 3.782 -13.673 1.00 54.23 H new ATOM 0 HA ASN A 128 7.096 5.844 -15.739 1.00 2.12 H new ATOM 0 HB2 ASN A 128 8.569 3.246 -15.154 1.00 0.21 H new ATOM 0 HB3 ASN A 128 8.879 4.289 -16.528 1.00 0.21 H new ATOM 0 HD21 ASN A 128 10.298 5.240 -12.778 1.00 73.15 H new ATOM 0 HD22 ASN A 128 9.160 3.914 -13.033 1.00 73.15 H new