USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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 33 ASN : amide:sc= -1.05 K(o=-1.6,f=-3.8!) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.533 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 173:sc= 0 (180deg=-0.0101) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 142:sc= -1.24! USER MOD Single : A 47 THR OG1 : rot -36:sc= 0.0559 USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0538) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 57 CYS SG : rot -53:sc= -2.29! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.375 K(o=-0.37,f=-1.4) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0991 K(o=-0.099,f=-2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -57:sc= 0.257 USER MOD Single : A 79 THR OG1 : rot -8:sc= -0.32 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -147:sc= -1.32 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 298 N ALA A 25 41.955 2.224 28.031 1.00 25.31 N ATOM 299 CA ALA A 25 41.657 2.030 26.618 1.00 40.24 C ATOM 300 C ALA A 25 40.199 2.358 26.314 1.00 31.04 C ATOM 301 O ALA A 25 39.287 1.685 26.798 1.00 42.51 O ATOM 302 CB ALA A 25 41.976 0.602 26.201 1.00 25.15 C ATOM 0 HA ALA A 25 42.284 2.713 26.044 1.00 40.24 H new ATOM 0 HB1 ALA A 25 41.748 0.472 25.143 1.00 25.15 H new ATOM 0 HB2 ALA A 25 43.034 0.401 26.372 1.00 25.15 H new ATOM 0 HB3 ALA A 25 41.375 -0.092 26.789 1.00 25.15 H new ATOM 308 N LEU A 26 39.985 3.395 25.512 1.00 1.03 N ATOM 309 CA LEU A 26 38.637 3.813 25.145 1.00 74.11 C ATOM 310 C LEU A 26 38.570 4.205 23.672 1.00 3.55 C ATOM 311 O LEU A 26 39.179 5.190 23.254 1.00 42.04 O ATOM 312 CB LEU A 26 38.189 4.987 26.018 1.00 24.51 C ATOM 313 CG LEU A 26 38.671 4.965 27.469 1.00 2.41 C ATOM 314 CD1 LEU A 26 39.974 5.738 27.610 1.00 34.14 C ATOM 315 CD2 LEU A 26 37.606 5.538 28.393 1.00 4.11 C ATOM 0 H LEU A 26 40.728 3.962 25.103 1.00 1.03 H new ATOM 0 HA LEU A 26 37.965 2.970 25.309 1.00 74.11 H new ATOM 0 HB2 LEU A 26 38.535 5.911 25.555 1.00 24.51 H new ATOM 0 HB3 LEU A 26 37.099 5.019 26.018 1.00 24.51 H new ATOM 0 HG LEU A 26 38.854 3.929 27.756 1.00 2.41 H new ATOM 0 HD11 LEU A 26 40.302 5.712 28.649 1.00 34.14 H new ATOM 0 HD12 LEU A 26 40.737 5.284 26.977 1.00 34.14 H new ATOM 0 HD13 LEU A 26 39.818 6.773 27.305 1.00 34.14 H new ATOM 0 HD21 LEU A 26 37.966 5.515 29.422 1.00 4.11 H new ATOM 0 HD22 LEU A 26 37.392 6.568 28.107 1.00 4.11 H new ATOM 0 HD23 LEU A 26 36.696 4.943 28.313 1.00 4.11 H new ATOM 327 N VAL A 27 37.825 3.430 22.891 1.00 31.14 N ATOM 328 CA VAL A 27 37.676 3.698 21.466 1.00 12.31 C ATOM 329 C VAL A 27 36.278 3.330 20.981 1.00 64.33 C ATOM 330 O VAL A 27 35.687 2.355 21.443 1.00 71.41 O ATOM 331 CB VAL A 27 38.717 2.922 20.637 1.00 14.51 C ATOM 332 CG1 VAL A 27 40.095 3.033 21.271 1.00 33.14 C ATOM 333 CG2 VAL A 27 38.303 1.466 20.492 1.00 72.14 C ATOM 0 H VAL A 27 37.315 2.611 23.221 1.00 31.14 H new ATOM 0 HA VAL A 27 37.836 4.767 21.326 1.00 12.31 H new ATOM 0 HB VAL A 27 38.766 3.363 19.641 1.00 14.51 H new ATOM 0 HG11 VAL A 27 40.817 2.479 20.672 1.00 33.14 H new ATOM 0 HG12 VAL A 27 40.391 4.081 21.318 1.00 33.14 H new ATOM 0 HG13 VAL A 27 40.066 2.619 22.279 1.00 33.14 H new ATOM 0 HG21 VAL A 27 39.049 0.932 19.904 1.00 72.14 H new ATOM 0 HG22 VAL A 27 38.225 1.010 21.479 1.00 72.14 H new ATOM 0 HG23 VAL A 27 37.337 1.411 19.989 1.00 72.14 H new ATOM 343 N ALA A 28 35.756 4.116 20.045 1.00 3.23 N ATOM 344 CA ALA A 28 34.429 3.871 19.495 1.00 41.22 C ATOM 345 C ALA A 28 34.517 3.277 18.093 1.00 22.54 C ATOM 346 O ALA A 28 35.386 3.648 17.304 1.00 73.01 O ATOM 347 CB ALA A 28 33.620 5.160 19.474 1.00 64.25 C ATOM 0 H ALA A 28 36.232 4.928 19.652 1.00 3.23 H new ATOM 0 HA ALA A 28 33.925 3.149 20.137 1.00 41.22 H new ATOM 0 HB1 ALA A 28 32.631 4.962 19.061 1.00 64.25 H new ATOM 0 HB2 ALA A 28 33.519 5.543 20.490 1.00 64.25 H new ATOM 0 HB3 ALA A 28 34.130 5.900 18.857 1.00 64.25 H new ATOM 353 N VAL A 29 33.613 2.350 17.791 1.00 50.45 N ATOM 354 CA VAL A 29 33.588 1.704 16.484 1.00 45.33 C ATOM 355 C VAL A 29 32.222 1.852 15.823 1.00 24.23 C ATOM 356 O VAL A 29 31.193 1.875 16.498 1.00 20.03 O ATOM 357 CB VAL A 29 33.936 0.208 16.591 1.00 33.40 C ATOM 358 CG1 VAL A 29 32.956 -0.503 17.512 1.00 72.41 C ATOM 359 CG2 VAL A 29 33.948 -0.436 15.213 1.00 60.22 C ATOM 0 H VAL A 29 32.889 2.030 18.434 1.00 50.45 H new ATOM 0 HA VAL A 29 34.340 2.201 15.871 1.00 45.33 H new ATOM 0 HB VAL A 29 34.934 0.114 17.019 1.00 33.40 H new ATOM 0 HG11 VAL A 29 33.217 -1.559 17.576 1.00 72.41 H new ATOM 0 HG12 VAL A 29 33.002 -0.057 18.506 1.00 72.41 H new ATOM 0 HG13 VAL A 29 31.946 -0.403 17.115 1.00 72.41 H new ATOM 0 HG21 VAL A 29 34.196 -1.493 15.308 1.00 60.22 H new ATOM 0 HG22 VAL A 29 32.964 -0.333 14.755 1.00 60.22 H new ATOM 0 HG23 VAL A 29 34.693 0.057 14.588 1.00 60.22 H new ATOM 369 N LYS A 30 32.220 1.951 14.498 1.00 34.13 N ATOM 370 CA LYS A 30 30.980 2.094 13.744 1.00 42.42 C ATOM 371 C LYS A 30 30.969 1.165 12.534 1.00 33.14 C ATOM 372 O LYS A 30 31.731 1.354 11.587 1.00 63.44 O ATOM 373 CB LYS A 30 30.802 3.544 13.288 1.00 55.31 C ATOM 374 CG LYS A 30 29.635 3.743 12.336 1.00 13.11 C ATOM 375 CD LYS A 30 29.212 5.201 12.269 1.00 41.11 C ATOM 376 CE LYS A 30 27.812 5.350 11.693 1.00 62.31 C ATOM 377 NZ LYS A 30 27.134 6.578 12.193 1.00 63.15 N ATOM 0 H LYS A 30 33.063 1.935 13.924 1.00 34.13 H new ATOM 0 HA LYS A 30 30.152 1.820 14.398 1.00 42.42 H new ATOM 0 HB2 LYS A 30 30.657 4.176 14.164 1.00 55.31 H new ATOM 0 HB3 LYS A 30 31.718 3.878 12.801 1.00 55.31 H new ATOM 0 HG2 LYS A 30 29.914 3.398 11.340 1.00 13.11 H new ATOM 0 HG3 LYS A 30 28.792 3.133 12.660 1.00 13.11 H new ATOM 0 HD2 LYS A 30 29.244 5.636 13.268 1.00 41.11 H new ATOM 0 HD3 LYS A 30 29.920 5.758 11.656 1.00 41.11 H new ATOM 0 HE2 LYS A 30 27.869 5.384 10.605 1.00 62.31 H new ATOM 0 HE3 LYS A 30 27.217 4.475 11.954 1.00 62.31 H new ATOM 0 HZ1 LYS A 30 26.183 6.643 11.777 1.00 63.15 H new ATOM 0 HZ2 LYS A 30 27.057 6.534 13.229 1.00 63.15 H new ATOM 0 HZ3 LYS A 30 27.688 7.415 11.922 1.00 63.15 H new ATOM 391 N VAL A 31 30.098 0.162 12.573 1.00 34.40 N ATOM 392 CA VAL A 31 29.985 -0.796 11.479 1.00 0.40 C ATOM 393 C VAL A 31 28.885 -0.390 10.504 1.00 2.55 C ATOM 394 O VAL A 31 27.732 -0.205 10.894 1.00 2.04 O ATOM 395 CB VAL A 31 29.694 -2.215 12.002 1.00 14.45 C ATOM 396 CG1 VAL A 31 29.561 -3.194 10.846 1.00 0.21 C ATOM 397 CG2 VAL A 31 30.782 -2.660 12.967 1.00 23.20 C ATOM 0 H VAL A 31 29.460 -0.009 13.350 1.00 34.40 H new ATOM 0 HA VAL A 31 30.944 -0.798 10.961 1.00 0.40 H new ATOM 0 HB VAL A 31 28.747 -2.198 12.541 1.00 14.45 H new ATOM 0 HG11 VAL A 31 29.356 -4.191 11.235 1.00 0.21 H new ATOM 0 HG12 VAL A 31 28.742 -2.882 10.197 1.00 0.21 H new ATOM 0 HG13 VAL A 31 30.490 -3.212 10.275 1.00 0.21 H new ATOM 0 HG21 VAL A 31 30.560 -3.665 13.327 1.00 23.20 H new ATOM 0 HG22 VAL A 31 31.744 -2.662 12.455 1.00 23.20 H new ATOM 0 HG23 VAL A 31 30.822 -1.973 13.812 1.00 23.20 H new ATOM 407 N VAL A 32 29.249 -0.252 9.233 1.00 24.24 N ATOM 408 CA VAL A 32 28.293 0.131 8.201 1.00 24.43 C ATOM 409 C VAL A 32 28.141 -0.970 7.158 1.00 61.33 C ATOM 410 O VAL A 32 29.036 -1.795 6.976 1.00 53.24 O ATOM 411 CB VAL A 32 28.718 1.434 7.499 1.00 71.24 C ATOM 412 CG1 VAL A 32 28.906 2.551 8.513 1.00 3.05 C ATOM 413 CG2 VAL A 32 29.989 1.214 6.693 1.00 44.32 C ATOM 0 H VAL A 32 30.199 -0.400 8.893 1.00 24.24 H new ATOM 0 HA VAL A 32 27.336 0.291 8.698 1.00 24.43 H new ATOM 0 HB VAL A 32 27.926 1.731 6.812 1.00 71.24 H new ATOM 0 HG11 VAL A 32 29.206 3.463 7.998 1.00 3.05 H new ATOM 0 HG12 VAL A 32 27.969 2.724 9.041 1.00 3.05 H new ATOM 0 HG13 VAL A 32 29.678 2.267 9.228 1.00 3.05 H new ATOM 0 HG21 VAL A 32 30.275 2.145 6.203 1.00 44.32 H new ATOM 0 HG22 VAL A 32 30.791 0.892 7.358 1.00 44.32 H new ATOM 0 HG23 VAL A 32 29.813 0.447 5.939 1.00 44.32 H new ATOM 423 N ASN A 33 27.001 -0.977 6.474 1.00 2.52 N ATOM 424 CA ASN A 33 26.731 -1.977 5.448 1.00 41.32 C ATOM 425 C ASN A 33 26.202 -1.321 4.176 1.00 60.44 C ATOM 426 O ASN A 33 25.597 -0.251 4.222 1.00 10.12 O ATOM 427 CB ASN A 33 25.723 -3.006 5.962 1.00 15.10 C ATOM 428 CG ASN A 33 26.321 -3.931 7.005 1.00 53.44 C ATOM 429 OD1 ASN A 33 26.962 -3.481 7.955 1.00 53.04 O ATOM 430 ND2 ASN A 33 26.113 -5.231 6.831 1.00 43.32 N ATOM 0 H ASN A 33 26.250 -0.301 6.612 1.00 2.52 H new ATOM 0 HA ASN A 33 27.668 -2.483 5.213 1.00 41.32 H new ATOM 0 HB2 ASN A 33 24.865 -2.488 6.390 1.00 15.10 H new ATOM 0 HB3 ASN A 33 25.353 -3.598 5.125 1.00 15.10 H new ATOM 0 HD21 ASN A 33 26.491 -5.902 7.500 1.00 43.32 H new ATOM 0 HD22 ASN A 33 25.575 -5.559 6.028 1.00 43.32 H new ATOM 437 N ALA A 34 26.434 -1.972 3.041 1.00 63.55 N ATOM 438 CA ALA A 34 25.979 -1.455 1.756 1.00 22.02 C ATOM 439 C ALA A 34 24.456 -1.412 1.690 1.00 23.30 C ATOM 440 O ALA A 34 23.880 -0.650 0.913 1.00 23.42 O ATOM 441 CB ALA A 34 26.535 -2.300 0.620 1.00 62.13 C ATOM 0 H ALA A 34 26.935 -2.859 2.985 1.00 63.55 H new ATOM 0 HA ALA A 34 26.350 -0.436 1.651 1.00 22.02 H new ATOM 0 HB1 ALA A 34 26.187 -1.902 -0.333 1.00 62.13 H new ATOM 0 HB2 ALA A 34 27.624 -2.275 0.648 1.00 62.13 H new ATOM 0 HB3 ALA A 34 26.193 -3.329 0.731 1.00 62.13 H new ATOM 447 N ASP A 35 23.810 -2.235 2.509 1.00 60.14 N ATOM 448 CA ASP A 35 22.353 -2.291 2.543 1.00 2.12 C ATOM 449 C ASP A 35 21.786 -1.163 3.399 1.00 3.42 C ATOM 450 O ASP A 35 20.645 -0.742 3.213 1.00 3.14 O ATOM 451 CB ASP A 35 21.886 -3.643 3.085 1.00 40.23 C ATOM 452 CG ASP A 35 22.606 -4.036 4.360 1.00 51.32 C ATOM 453 OD1 ASP A 35 22.237 -3.515 5.433 1.00 20.52 O ATOM 454 OD2 ASP A 35 23.539 -4.863 4.284 1.00 13.12 O ATOM 0 H ASP A 35 24.272 -2.872 3.158 1.00 60.14 H new ATOM 0 HA ASP A 35 21.985 -2.170 1.524 1.00 2.12 H new ATOM 0 HB2 ASP A 35 20.813 -3.604 3.274 1.00 40.23 H new ATOM 0 HB3 ASP A 35 22.049 -4.410 2.328 1.00 40.23 H new ATOM 459 N GLY A 36 22.592 -0.677 4.339 1.00 20.42 N ATOM 460 CA GLY A 36 22.153 0.397 5.211 1.00 73.43 C ATOM 461 C GLY A 36 22.326 0.060 6.678 1.00 23.15 C ATOM 462 O GLY A 36 22.656 0.928 7.486 1.00 35.24 O ATOM 0 H GLY A 36 23.541 -1.008 4.512 1.00 20.42 H new ATOM 0 HA2 GLY A 36 22.716 1.301 4.980 1.00 73.43 H new ATOM 0 HA3 GLY A 36 21.104 0.616 5.013 1.00 73.43 H new ATOM 466 N ALA A 37 22.103 -1.204 7.025 1.00 52.44 N ATOM 467 CA ALA A 37 22.237 -1.653 8.405 1.00 52.32 C ATOM 468 C ALA A 37 23.584 -1.241 8.988 1.00 64.03 C ATOM 469 O ALA A 37 24.630 -1.730 8.562 1.00 60.05 O ATOM 470 CB ALA A 37 22.062 -3.162 8.488 1.00 3.21 C ATOM 0 H ALA A 37 21.829 -1.935 6.369 1.00 52.44 H new ATOM 0 HA ALA A 37 21.455 -1.175 8.995 1.00 52.32 H new ATOM 0 HB1 ALA A 37 22.165 -3.484 9.524 1.00 3.21 H new ATOM 0 HB2 ALA A 37 21.073 -3.434 8.120 1.00 3.21 H new ATOM 0 HB3 ALA A 37 22.823 -3.651 7.879 1.00 3.21 H new ATOM 476 N GLU A 38 23.551 -0.339 9.964 1.00 43.14 N ATOM 477 CA GLU A 38 24.772 0.139 10.603 1.00 73.10 C ATOM 478 C GLU A 38 24.533 0.428 12.082 1.00 4.32 C ATOM 479 O GLU A 38 23.395 0.600 12.516 1.00 12.51 O ATOM 480 CB GLU A 38 25.282 1.399 9.901 1.00 12.22 C ATOM 481 CG GLU A 38 24.415 2.623 10.142 1.00 14.42 C ATOM 482 CD GLU A 38 24.603 3.690 9.081 1.00 61.10 C ATOM 483 OE1 GLU A 38 24.544 3.349 7.881 1.00 63.21 O ATOM 484 OE2 GLU A 38 24.810 4.865 9.450 1.00 74.22 O ATOM 0 H GLU A 38 22.693 0.075 10.329 1.00 43.14 H new ATOM 0 HA GLU A 38 25.526 -0.644 10.520 1.00 73.10 H new ATOM 0 HB2 GLU A 38 26.296 1.609 10.242 1.00 12.22 H new ATOM 0 HB3 GLU A 38 25.339 1.210 8.829 1.00 12.22 H new ATOM 0 HG2 GLU A 38 23.368 2.322 10.168 1.00 14.42 H new ATOM 0 HG3 GLU A 38 24.650 3.043 11.120 1.00 14.42 H new ATOM 491 N MET A 39 25.616 0.479 12.851 1.00 43.40 N ATOM 492 CA MET A 39 25.526 0.748 14.281 1.00 14.44 C ATOM 493 C MET A 39 26.897 1.080 14.860 1.00 24.44 C ATOM 494 O MET A 39 27.892 0.429 14.538 1.00 52.33 O ATOM 495 CB MET A 39 24.928 -0.456 15.012 1.00 41.14 C ATOM 496 CG MET A 39 25.876 -1.640 15.108 1.00 63.15 C ATOM 497 SD MET A 39 25.035 -3.168 15.566 1.00 4.22 S ATOM 498 CE MET A 39 26.069 -3.731 16.916 1.00 65.43 C ATOM 0 H MET A 39 26.566 0.338 12.507 1.00 43.40 H new ATOM 0 HA MET A 39 24.874 1.610 14.422 1.00 14.44 H new ATOM 0 HB2 MET A 39 24.636 -0.152 16.017 1.00 41.14 H new ATOM 0 HB3 MET A 39 24.020 -0.769 14.497 1.00 41.14 H new ATOM 0 HG2 MET A 39 26.376 -1.778 14.150 1.00 63.15 H new ATOM 0 HG3 MET A 39 26.650 -1.422 15.843 1.00 63.15 H new ATOM 0 HE1 MET A 39 25.610 -4.600 17.387 1.00 65.43 H new ATOM 0 HE2 MET A 39 27.052 -4.003 16.532 1.00 65.43 H new ATOM 0 HE3 MET A 39 26.174 -2.933 17.651 1.00 65.43 H new ATOM 508 N PHE A 40 26.944 2.095 15.717 1.00 71.14 N ATOM 509 CA PHE A 40 28.194 2.513 16.339 1.00 24.05 C ATOM 510 C PHE A 40 28.045 2.596 17.856 1.00 45.32 C ATOM 511 O PHE A 40 26.977 2.931 18.369 1.00 44.15 O ATOM 512 CB PHE A 40 28.637 3.868 15.784 1.00 44.11 C ATOM 513 CG PHE A 40 27.803 5.018 16.272 1.00 21.30 C ATOM 514 CD1 PHE A 40 26.516 5.208 15.796 1.00 72.10 C ATOM 515 CD2 PHE A 40 28.306 5.908 17.207 1.00 31.11 C ATOM 516 CE1 PHE A 40 25.746 6.265 16.243 1.00 45.51 C ATOM 517 CE2 PHE A 40 27.541 6.967 17.658 1.00 10.21 C ATOM 518 CZ PHE A 40 26.259 7.145 17.176 1.00 1.40 C ATOM 0 H PHE A 40 26.130 2.643 15.996 1.00 71.14 H new ATOM 0 HA PHE A 40 28.954 1.767 16.106 1.00 24.05 H new ATOM 0 HB2 PHE A 40 29.677 4.042 16.059 1.00 44.11 H new ATOM 0 HB3 PHE A 40 28.596 3.836 14.695 1.00 44.11 H new ATOM 0 HD1 PHE A 40 26.110 4.522 15.067 1.00 72.10 H new ATOM 0 HD2 PHE A 40 29.308 5.773 17.588 1.00 31.11 H new ATOM 0 HE1 PHE A 40 24.744 6.403 15.863 1.00 45.51 H new ATOM 0 HE2 PHE A 40 27.945 7.654 18.386 1.00 10.21 H new ATOM 0 HZ PHE A 40 25.659 7.971 17.528 1.00 1.40 H new ATOM 528 N PHE A 41 29.124 2.289 18.568 1.00 24.30 N ATOM 529 CA PHE A 41 29.115 2.327 20.026 1.00 73.03 C ATOM 530 C PHE A 41 30.533 2.438 20.576 1.00 24.54 C ATOM 531 O PHE A 41 31.506 2.145 19.880 1.00 54.42 O ATOM 532 CB PHE A 41 28.434 1.076 20.585 1.00 24.23 C ATOM 533 CG PHE A 41 27.733 1.309 21.893 1.00 63.20 C ATOM 534 CD1 PHE A 41 26.454 1.841 21.923 1.00 4.04 C ATOM 535 CD2 PHE A 41 28.353 0.996 23.092 1.00 44.10 C ATOM 536 CE1 PHE A 41 25.806 2.056 23.125 1.00 1.30 C ATOM 537 CE2 PHE A 41 27.710 1.209 24.297 1.00 60.25 C ATOM 538 CZ PHE A 41 26.435 1.741 24.313 1.00 24.32 C ATOM 0 H PHE A 41 30.016 2.011 18.159 1.00 24.30 H new ATOM 0 HA PHE A 41 28.554 3.208 20.339 1.00 73.03 H new ATOM 0 HB2 PHE A 41 27.712 0.708 19.856 1.00 24.23 H new ATOM 0 HB3 PHE A 41 29.181 0.293 20.717 1.00 24.23 H new ATOM 0 HD1 PHE A 41 25.958 2.091 20.997 1.00 4.04 H new ATOM 0 HD2 PHE A 41 29.350 0.581 23.085 1.00 44.10 H new ATOM 0 HE1 PHE A 41 24.809 2.470 23.135 1.00 1.30 H new ATOM 0 HE2 PHE A 41 28.204 0.960 25.225 1.00 60.25 H new ATOM 0 HZ PHE A 41 25.931 1.910 25.253 1.00 24.32 H new ATOM 548 N ARG A 42 30.643 2.862 21.831 1.00 23.00 N ATOM 549 CA ARG A 42 31.942 3.013 22.475 1.00 4.33 C ATOM 550 C ARG A 42 32.278 1.785 23.316 1.00 5.23 C ATOM 551 O ARG A 42 31.410 1.220 23.982 1.00 61.14 O ATOM 552 CB ARG A 42 31.957 4.266 23.354 1.00 70.33 C ATOM 553 CG ARG A 42 33.307 4.964 23.397 1.00 74.50 C ATOM 554 CD ARG A 42 33.180 6.390 23.907 1.00 12.34 C ATOM 555 NE ARG A 42 34.017 7.318 23.152 1.00 52.43 N ATOM 556 CZ ARG A 42 34.088 8.620 23.408 1.00 30.35 C ATOM 557 NH1 ARG A 42 33.376 9.144 24.397 1.00 63.32 N ATOM 558 NH2 ARG A 42 34.873 9.400 22.676 1.00 31.32 N ATOM 0 H ARG A 42 29.848 3.107 22.422 1.00 23.00 H new ATOM 0 HA ARG A 42 32.696 3.115 21.695 1.00 4.33 H new ATOM 0 HB2 ARG A 42 31.207 4.966 22.986 1.00 70.33 H new ATOM 0 HB3 ARG A 42 31.667 3.992 24.368 1.00 70.33 H new ATOM 0 HG2 ARG A 42 33.986 4.405 24.041 1.00 74.50 H new ATOM 0 HG3 ARG A 42 33.746 4.971 22.399 1.00 74.50 H new ATOM 0 HD2 ARG A 42 32.139 6.707 23.843 1.00 12.34 H new ATOM 0 HD3 ARG A 42 33.459 6.425 24.960 1.00 12.34 H new ATOM 0 HE ARG A 42 34.578 6.946 22.386 1.00 52.43 H new ATOM 0 HH11 ARG A 42 32.773 8.547 24.963 1.00 63.32 H new ATOM 0 HH12 ARG A 42 33.432 10.144 24.592 1.00 63.32 H new ATOM 0 HH21 ARG A 42 35.423 9.000 21.916 1.00 31.32 H new ATOM 0 HH22 ARG A 42 34.926 10.399 22.874 1.00 31.32 H new ATOM 572 N ILE A 43 33.543 1.378 23.281 1.00 52.23 N ATOM 573 CA ILE A 43 33.993 0.218 24.040 1.00 51.03 C ATOM 574 C ILE A 43 35.506 0.239 24.229 1.00 31.44 C ATOM 575 O ILE A 43 36.224 0.933 23.510 1.00 71.14 O ATOM 576 CB ILE A 43 33.591 -1.098 23.348 1.00 45.15 C ATOM 577 CG1 ILE A 43 33.659 -2.262 24.338 1.00 14.14 C ATOM 578 CG2 ILE A 43 34.491 -1.362 22.150 1.00 64.33 C ATOM 579 CD1 ILE A 43 32.550 -3.275 24.157 1.00 51.32 C ATOM 0 H ILE A 43 34.274 1.835 22.735 1.00 52.23 H new ATOM 0 HA ILE A 43 33.507 0.270 25.014 1.00 51.03 H new ATOM 0 HB ILE A 43 32.564 -1.006 22.994 1.00 45.15 H new ATOM 0 HG12 ILE A 43 34.620 -2.764 24.230 1.00 14.14 H new ATOM 0 HG13 ILE A 43 33.618 -1.868 25.353 1.00 14.14 H new ATOM 0 HG21 ILE A 43 34.195 -2.295 21.671 1.00 64.33 H new ATOM 0 HG22 ILE A 43 34.397 -0.543 21.437 1.00 64.33 H new ATOM 0 HG23 ILE A 43 35.526 -1.437 22.482 1.00 64.33 H new ATOM 0 HD11 ILE A 43 32.661 -4.072 24.892 1.00 51.32 H new ATOM 0 HD12 ILE A 43 31.585 -2.787 24.294 1.00 51.32 H new ATOM 0 HD13 ILE A 43 32.603 -3.697 23.154 1.00 51.32 H new ATOM 591 N LYS A 44 35.985 -0.529 25.202 1.00 10.15 N ATOM 592 CA LYS A 44 37.413 -0.603 25.486 1.00 2.35 C ATOM 593 C LYS A 44 38.195 -1.011 24.242 1.00 41.21 C ATOM 594 O LYS A 44 37.827 -1.960 23.550 1.00 25.20 O ATOM 595 CB LYS A 44 37.678 -1.599 26.618 1.00 44.33 C ATOM 596 CG LYS A 44 38.142 -0.945 27.908 1.00 42.33 C ATOM 597 CD LYS A 44 39.643 -1.087 28.097 1.00 41.22 C ATOM 598 CE LYS A 44 39.977 -2.162 29.119 1.00 33.33 C ATOM 599 NZ LYS A 44 41.446 -2.353 29.265 1.00 45.43 N ATOM 0 H LYS A 44 35.404 -1.109 25.807 1.00 10.15 H new ATOM 0 HA LYS A 44 37.748 0.387 25.795 1.00 2.35 H new ATOM 0 HB2 LYS A 44 36.767 -2.164 26.814 1.00 44.33 H new ATOM 0 HB3 LYS A 44 38.433 -2.315 26.292 1.00 44.33 H new ATOM 0 HG2 LYS A 44 37.874 0.111 27.898 1.00 42.33 H new ATOM 0 HG3 LYS A 44 37.624 -1.398 28.753 1.00 42.33 H new ATOM 0 HD2 LYS A 44 40.109 -1.333 27.143 1.00 41.22 H new ATOM 0 HD3 LYS A 44 40.062 -0.134 28.420 1.00 41.22 H new ATOM 0 HE2 LYS A 44 39.549 -1.891 30.084 1.00 33.33 H new ATOM 0 HE3 LYS A 44 39.517 -3.103 28.819 1.00 33.33 H new ATOM 0 HZ1 LYS A 44 41.631 -3.094 29.971 1.00 45.43 H new ATOM 0 HZ2 LYS A 44 41.852 -2.637 28.350 1.00 45.43 H new ATOM 0 HZ3 LYS A 44 41.883 -1.462 29.576 1.00 45.43 H new ATOM 613 N SER A 45 39.276 -0.288 23.964 1.00 75.20 N ATOM 614 CA SER A 45 40.108 -0.574 22.801 1.00 30.13 C ATOM 615 C SER A 45 40.629 -2.008 22.845 1.00 15.51 C ATOM 616 O SER A 45 40.966 -2.589 21.814 1.00 43.43 O ATOM 617 CB SER A 45 41.282 0.405 22.735 1.00 73.01 C ATOM 618 OG SER A 45 42.471 -0.190 23.225 1.00 73.35 O ATOM 0 H SER A 45 39.596 0.499 24.528 1.00 75.20 H new ATOM 0 HA SER A 45 39.494 -0.456 21.908 1.00 30.13 H new ATOM 0 HB2 SER A 45 41.432 0.729 21.705 1.00 73.01 H new ATOM 0 HB3 SER A 45 41.050 1.296 23.319 1.00 73.01 H new ATOM 0 HG SER A 45 43.231 0.100 22.678 1.00 73.35 H new ATOM 624 N ARG A 46 40.690 -2.571 24.047 1.00 64.40 N ATOM 625 CA ARG A 46 41.171 -3.936 24.227 1.00 73.12 C ATOM 626 C ARG A 46 40.249 -4.933 23.531 1.00 60.15 C ATOM 627 O ARG A 46 40.643 -6.064 23.242 1.00 0.32 O ATOM 628 CB ARG A 46 41.271 -4.272 25.716 1.00 62.12 C ATOM 629 CG ARG A 46 41.894 -5.630 25.993 1.00 21.51 C ATOM 630 CD ARG A 46 43.265 -5.757 25.346 1.00 34.35 C ATOM 631 NE ARG A 46 43.970 -6.957 25.790 1.00 41.23 N ATOM 632 CZ ARG A 46 44.519 -7.084 26.992 1.00 23.15 C ATOM 633 NH1 ARG A 46 44.444 -6.091 27.868 1.00 43.14 N ATOM 634 NH2 ARG A 46 45.145 -8.207 27.322 1.00 14.02 N ATOM 0 H ARG A 46 40.413 -2.104 24.910 1.00 64.40 H new ATOM 0 HA ARG A 46 42.162 -4.008 23.778 1.00 73.12 H new ATOM 0 HB2 ARG A 46 41.861 -3.503 26.215 1.00 62.12 H new ATOM 0 HB3 ARG A 46 40.273 -4.243 26.154 1.00 62.12 H new ATOM 0 HG2 ARG A 46 41.983 -5.778 27.069 1.00 21.51 H new ATOM 0 HG3 ARG A 46 41.239 -6.416 25.617 1.00 21.51 H new ATOM 0 HD2 ARG A 46 43.154 -5.782 24.262 1.00 34.35 H new ATOM 0 HD3 ARG A 46 43.862 -4.877 25.585 1.00 34.35 H new ATOM 0 HE ARG A 46 44.045 -7.740 25.141 1.00 41.23 H new ATOM 0 HH11 ARG A 46 43.963 -5.226 27.619 1.00 43.14 H new ATOM 0 HH12 ARG A 46 44.867 -6.192 28.791 1.00 43.14 H new ATOM 0 HH21 ARG A 46 45.205 -8.974 26.652 1.00 14.02 H new ATOM 0 HH22 ARG A 46 45.566 -8.303 28.246 1.00 14.02 H new ATOM 648 N THR A 47 39.018 -4.507 23.263 1.00 45.30 N ATOM 649 CA THR A 47 38.040 -5.361 22.603 1.00 61.55 C ATOM 650 C THR A 47 36.900 -4.539 22.014 1.00 52.22 C ATOM 651 O THR A 47 36.214 -3.810 22.730 1.00 51.24 O ATOM 652 CB THR A 47 37.457 -6.404 23.575 1.00 0.44 C ATOM 653 OG1 THR A 47 38.493 -6.922 24.417 1.00 63.12 O ATOM 654 CG2 THR A 47 36.796 -7.544 22.815 1.00 3.41 C ATOM 0 H THR A 47 38.675 -3.574 23.494 1.00 45.30 H new ATOM 0 HA THR A 47 38.564 -5.878 21.799 1.00 61.55 H new ATOM 0 HB THR A 47 36.702 -5.913 24.189 1.00 0.44 H new ATOM 0 HG1 THR A 47 39.327 -6.988 23.907 1.00 63.12 H new ATOM 0 HG21 THR A 47 36.392 -8.267 23.523 1.00 3.41 H new ATOM 0 HG22 THR A 47 35.988 -7.150 22.198 1.00 3.41 H new ATOM 0 HG23 THR A 47 37.533 -8.033 22.178 1.00 3.41 H new ATOM 662 N ALA A 48 36.702 -4.661 20.705 1.00 23.22 N ATOM 663 CA ALA A 48 35.643 -3.931 20.021 1.00 13.40 C ATOM 664 C ALA A 48 35.156 -4.692 18.792 1.00 2.44 C ATOM 665 O ALA A 48 33.978 -5.035 18.688 1.00 12.22 O ATOM 666 CB ALA A 48 36.128 -2.543 19.627 1.00 34.31 C ATOM 0 H ALA A 48 37.262 -5.259 20.097 1.00 23.22 H new ATOM 0 HA ALA A 48 34.804 -3.829 20.709 1.00 13.40 H new ATOM 0 HB1 ALA A 48 35.327 -2.009 19.117 1.00 34.31 H new ATOM 0 HB2 ALA A 48 36.420 -1.992 20.521 1.00 34.31 H new ATOM 0 HB3 ALA A 48 36.986 -2.633 18.960 1.00 34.31 H new ATOM 672 N LEU A 49 36.070 -4.952 17.864 1.00 74.13 N ATOM 673 CA LEU A 49 35.733 -5.673 16.641 1.00 43.44 C ATOM 674 C LEU A 49 35.271 -7.092 16.954 1.00 1.03 C ATOM 675 O LEU A 49 34.538 -7.704 16.177 1.00 23.21 O ATOM 676 CB LEU A 49 36.940 -5.713 15.701 1.00 54.22 C ATOM 677 CG LEU A 49 36.721 -5.132 14.303 1.00 22.41 C ATOM 678 CD1 LEU A 49 35.451 -5.694 13.684 1.00 35.15 C ATOM 679 CD2 LEU A 49 36.662 -3.613 14.360 1.00 44.13 C ATOM 0 H LEU A 49 37.049 -4.675 17.935 1.00 74.13 H new ATOM 0 HA LEU A 49 34.915 -5.145 16.151 1.00 43.44 H new ATOM 0 HB2 LEU A 49 37.761 -5.173 16.173 1.00 54.22 H new ATOM 0 HB3 LEU A 49 37.259 -6.750 15.596 1.00 54.22 H new ATOM 0 HG LEU A 49 37.564 -5.419 13.675 1.00 22.41 H new ATOM 0 HD11 LEU A 49 35.312 -5.269 12.690 1.00 35.15 H new ATOM 0 HD12 LEU A 49 35.533 -6.778 13.607 1.00 35.15 H new ATOM 0 HD13 LEU A 49 34.597 -5.438 14.311 1.00 35.15 H new ATOM 0 HD21 LEU A 49 36.506 -3.217 13.357 1.00 44.13 H new ATOM 0 HD22 LEU A 49 35.838 -3.305 15.004 1.00 44.13 H new ATOM 0 HD23 LEU A 49 37.600 -3.227 14.760 1.00 44.13 H new ATOM 691 N LYS A 50 35.703 -7.610 18.099 1.00 13.44 N ATOM 692 CA LYS A 50 35.331 -8.956 18.519 1.00 2.43 C ATOM 693 C LYS A 50 33.833 -9.048 18.788 1.00 14.52 C ATOM 694 O LYS A 50 33.135 -9.875 18.201 1.00 64.20 O ATOM 695 CB LYS A 50 36.111 -9.354 19.775 1.00 52.24 C ATOM 696 CG LYS A 50 37.591 -9.020 19.703 1.00 72.12 C ATOM 697 CD LYS A 50 38.242 -9.636 18.476 1.00 44.31 C ATOM 698 CE LYS A 50 39.388 -10.560 18.858 1.00 61.20 C ATOM 699 NZ LYS A 50 39.942 -11.275 17.675 1.00 72.50 N ATOM 0 H LYS A 50 36.311 -7.118 18.753 1.00 13.44 H new ATOM 0 HA LYS A 50 35.580 -9.644 17.711 1.00 2.43 H new ATOM 0 HB2 LYS A 50 35.675 -8.851 20.638 1.00 52.24 H new ATOM 0 HB3 LYS A 50 35.996 -10.425 19.939 1.00 52.24 H new ATOM 0 HG2 LYS A 50 37.720 -7.938 19.680 1.00 72.12 H new ATOM 0 HG3 LYS A 50 38.091 -9.382 20.602 1.00 72.12 H new ATOM 0 HD2 LYS A 50 37.497 -10.194 17.909 1.00 44.31 H new ATOM 0 HD3 LYS A 50 38.613 -8.845 17.824 1.00 44.31 H new ATOM 0 HE2 LYS A 50 40.178 -9.980 19.335 1.00 61.20 H new ATOM 0 HE3 LYS A 50 39.039 -11.287 19.591 1.00 61.20 H new ATOM 0 HZ1 LYS A 50 40.464 -12.117 17.991 1.00 72.50 H new ATOM 0 HZ2 LYS A 50 39.164 -11.565 17.049 1.00 72.50 H new ATOM 0 HZ3 LYS A 50 40.586 -10.643 17.158 1.00 72.50 H new ATOM 713 N LYS A 51 33.342 -8.192 19.678 1.00 3.44 N ATOM 714 CA LYS A 51 31.926 -8.174 20.024 1.00 52.44 C ATOM 715 C LYS A 51 31.094 -7.608 18.877 1.00 15.13 C ATOM 716 O LYS A 51 29.922 -7.953 18.718 1.00 32.00 O ATOM 717 CB LYS A 51 31.699 -7.345 21.290 1.00 11.10 C ATOM 718 CG LYS A 51 31.230 -8.166 22.478 1.00 35.14 C ATOM 719 CD LYS A 51 32.400 -8.773 23.234 1.00 51.10 C ATOM 720 CE LYS A 51 32.763 -10.146 22.690 1.00 71.03 C ATOM 721 NZ LYS A 51 33.800 -10.816 23.522 1.00 22.11 N ATOM 0 H LYS A 51 33.905 -7.501 20.173 1.00 3.44 H new ATOM 0 HA LYS A 51 31.609 -9.201 20.208 1.00 52.44 H new ATOM 0 HB2 LYS A 51 32.627 -6.838 21.553 1.00 11.10 H new ATOM 0 HB3 LYS A 51 30.961 -6.571 21.080 1.00 11.10 H new ATOM 0 HG2 LYS A 51 30.649 -7.535 23.151 1.00 35.14 H new ATOM 0 HG3 LYS A 51 30.567 -8.960 22.134 1.00 35.14 H new ATOM 0 HD2 LYS A 51 33.264 -8.112 23.162 1.00 51.10 H new ATOM 0 HD3 LYS A 51 32.148 -8.854 24.291 1.00 51.10 H new ATOM 0 HE2 LYS A 51 31.870 -10.769 22.652 1.00 71.03 H new ATOM 0 HE3 LYS A 51 33.126 -10.047 21.667 1.00 71.03 H new ATOM 0 HZ1 LYS A 51 34.020 -11.749 23.118 1.00 22.11 H new ATOM 0 HZ2 LYS A 51 34.662 -10.234 23.538 1.00 22.11 H new ATOM 0 HZ3 LYS A 51 33.444 -10.934 24.492 1.00 22.11 H new ATOM 735 N LEU A 52 31.706 -6.739 18.081 1.00 53.04 N ATOM 736 CA LEU A 52 31.021 -6.126 16.947 1.00 24.51 C ATOM 737 C LEU A 52 30.670 -7.172 15.894 1.00 75.03 C ATOM 738 O LEU A 52 29.515 -7.288 15.482 1.00 32.43 O ATOM 739 CB LEU A 52 31.896 -5.035 16.327 1.00 61.50 C ATOM 740 CG LEU A 52 31.504 -3.594 16.655 1.00 63.25 C ATOM 741 CD1 LEU A 52 30.109 -3.288 16.132 1.00 63.22 C ATOM 742 CD2 LEU A 52 31.579 -3.349 18.154 1.00 5.25 C ATOM 0 H LEU A 52 32.675 -6.442 18.199 1.00 53.04 H new ATOM 0 HA LEU A 52 30.096 -5.678 17.311 1.00 24.51 H new ATOM 0 HB2 LEU A 52 32.924 -5.194 16.652 1.00 61.50 H new ATOM 0 HB3 LEU A 52 31.881 -5.157 15.244 1.00 61.50 H new ATOM 0 HG LEU A 52 32.209 -2.925 16.162 1.00 63.25 H new ATOM 0 HD11 LEU A 52 29.847 -2.258 16.375 1.00 63.22 H new ATOM 0 HD12 LEU A 52 30.088 -3.422 15.051 1.00 63.22 H new ATOM 0 HD13 LEU A 52 29.390 -3.964 16.595 1.00 63.22 H new ATOM 0 HD21 LEU A 52 31.297 -2.318 18.369 1.00 5.25 H new ATOM 0 HD22 LEU A 52 30.897 -4.027 18.668 1.00 5.25 H new ATOM 0 HD23 LEU A 52 32.597 -3.526 18.501 1.00 5.25 H new ATOM 754 N ILE A 53 31.671 -7.931 15.463 1.00 25.24 N ATOM 755 CA ILE A 53 31.467 -8.969 14.461 1.00 73.22 C ATOM 756 C ILE A 53 30.722 -10.162 15.049 1.00 34.51 C ATOM 757 O ILE A 53 29.961 -10.837 14.354 1.00 4.21 O ATOM 758 CB ILE A 53 32.804 -9.454 13.871 1.00 42.43 C ATOM 759 CG1 ILE A 53 32.555 -10.404 12.698 1.00 52.24 C ATOM 760 CG2 ILE A 53 33.640 -10.136 14.943 1.00 3.43 C ATOM 761 CD1 ILE A 53 33.706 -10.470 11.718 1.00 12.22 C ATOM 0 H ILE A 53 32.633 -7.846 15.792 1.00 25.24 H new ATOM 0 HA ILE A 53 30.868 -8.525 13.666 1.00 73.22 H new ATOM 0 HB ILE A 53 33.356 -8.589 13.503 1.00 42.43 H new ATOM 0 HG12 ILE A 53 32.361 -11.404 13.086 1.00 52.24 H new ATOM 0 HG13 ILE A 53 31.656 -10.087 12.169 1.00 52.24 H new ATOM 0 HG21 ILE A 53 34.582 -10.473 14.510 1.00 3.43 H new ATOM 0 HG22 ILE A 53 33.843 -9.431 15.749 1.00 3.43 H new ATOM 0 HG23 ILE A 53 33.095 -10.993 15.339 1.00 3.43 H new ATOM 0 HD11 ILE A 53 33.459 -11.162 10.913 1.00 12.22 H new ATOM 0 HD12 ILE A 53 33.887 -9.479 11.302 1.00 12.22 H new ATOM 0 HD13 ILE A 53 34.602 -10.816 12.232 1.00 12.22 H new ATOM 773 N ASP A 54 30.944 -10.416 16.334 1.00 34.30 N ATOM 774 CA ASP A 54 30.291 -11.527 17.018 1.00 50.21 C ATOM 775 C ASP A 54 28.808 -11.239 17.228 1.00 33.13 C ATOM 776 O ASP A 54 27.961 -12.113 17.037 1.00 10.24 O ATOM 777 CB ASP A 54 30.967 -11.793 18.363 1.00 24.35 C ATOM 778 CG ASP A 54 32.280 -12.538 18.214 1.00 15.15 C ATOM 779 OD1 ASP A 54 32.629 -12.902 17.072 1.00 42.21 O ATOM 780 OD2 ASP A 54 32.957 -12.756 19.240 1.00 22.02 O ATOM 0 H ASP A 54 31.571 -9.868 16.923 1.00 34.30 H new ATOM 0 HA ASP A 54 30.385 -12.414 16.391 1.00 50.21 H new ATOM 0 HB2 ASP A 54 31.146 -10.845 18.870 1.00 24.35 H new ATOM 0 HB3 ASP A 54 30.294 -12.371 18.996 1.00 24.35 H new ATOM 785 N THR A 55 28.499 -10.008 17.624 1.00 20.01 N ATOM 786 CA THR A 55 27.119 -9.605 17.863 1.00 72.51 C ATOM 787 C THR A 55 26.362 -9.430 16.551 1.00 23.51 C ATOM 788 O THR A 55 25.187 -9.784 16.449 1.00 2.50 O ATOM 789 CB THR A 55 27.047 -8.291 18.663 1.00 64.02 C ATOM 790 OG1 THR A 55 27.682 -8.457 19.936 1.00 70.13 O ATOM 791 CG2 THR A 55 25.603 -7.857 18.863 1.00 21.32 C ATOM 0 H THR A 55 29.187 -9.272 17.786 1.00 20.01 H new ATOM 0 HA THR A 55 26.654 -10.401 18.444 1.00 72.51 H new ATOM 0 HB THR A 55 27.566 -7.518 18.097 1.00 64.02 H new ATOM 0 HG1 THR A 55 28.654 -8.387 19.829 1.00 70.13 H new ATOM 0 HG21 THR A 55 25.578 -6.927 19.431 1.00 21.32 H new ATOM 0 HG22 THR A 55 25.132 -7.703 17.892 1.00 21.32 H new ATOM 0 HG23 THR A 55 25.063 -8.630 19.410 1.00 21.32 H new ATOM 799 N TYR A 56 27.043 -8.884 15.550 1.00 71.44 N ATOM 800 CA TYR A 56 26.434 -8.661 14.244 1.00 71.13 C ATOM 801 C TYR A 56 26.156 -9.985 13.538 1.00 25.24 C ATOM 802 O TYR A 56 25.090 -10.178 12.954 1.00 34.51 O ATOM 803 CB TYR A 56 27.343 -7.789 13.376 1.00 11.11 C ATOM 804 CG TYR A 56 26.617 -7.095 12.245 1.00 22.44 C ATOM 805 CD1 TYR A 56 26.042 -7.824 11.212 1.00 61.41 C ATOM 806 CD2 TYR A 56 26.506 -5.711 12.211 1.00 12.23 C ATOM 807 CE1 TYR A 56 25.379 -7.195 10.177 1.00 50.35 C ATOM 808 CE2 TYR A 56 25.843 -5.073 11.181 1.00 41.34 C ATOM 809 CZ TYR A 56 25.282 -5.819 10.165 1.00 11.15 C ATOM 810 OH TYR A 56 24.621 -5.188 9.137 1.00 72.04 O ATOM 0 H TYR A 56 28.017 -8.588 15.618 1.00 71.44 H new ATOM 0 HA TYR A 56 25.486 -8.146 14.398 1.00 71.13 H new ATOM 0 HB2 TYR A 56 27.820 -7.038 14.005 1.00 11.11 H new ATOM 0 HB3 TYR A 56 28.138 -8.408 12.960 1.00 11.11 H new ATOM 0 HD1 TYR A 56 26.115 -8.902 11.218 1.00 61.41 H new ATOM 0 HD2 TYR A 56 26.946 -5.124 13.004 1.00 12.23 H new ATOM 0 HE1 TYR A 56 24.939 -7.777 9.381 1.00 50.35 H new ATOM 0 HE2 TYR A 56 25.764 -3.996 11.171 1.00 41.34 H new ATOM 0 HH TYR A 56 24.643 -4.219 9.280 1.00 72.04 H new ATOM 820 N CYS A 57 27.124 -10.894 13.598 1.00 12.52 N ATOM 821 CA CYS A 57 26.986 -12.200 12.965 1.00 35.55 C ATOM 822 C CYS A 57 25.959 -13.055 13.702 1.00 61.11 C ATOM 823 O CYS A 57 25.139 -13.732 13.082 1.00 70.34 O ATOM 824 CB CYS A 57 28.335 -12.919 12.931 1.00 21.03 C ATOM 825 SG CYS A 57 29.469 -12.300 11.666 1.00 2.05 S ATOM 0 H CYS A 57 28.012 -10.750 14.079 1.00 12.52 H new ATOM 0 HA CYS A 57 26.639 -12.046 11.943 1.00 35.55 H new ATOM 0 HB2 CYS A 57 28.810 -12.824 13.907 1.00 21.03 H new ATOM 0 HB3 CYS A 57 28.164 -13.982 12.762 1.00 21.03 H new ATOM 0 HG CYS A 57 28.875 -12.308 10.510 1.00 2.05 H new ATOM 831 N LYS A 58 26.011 -13.020 15.029 1.00 21.51 N ATOM 832 CA LYS A 58 25.087 -13.792 15.852 1.00 52.41 C ATOM 833 C LYS A 58 23.664 -13.258 15.718 1.00 61.10 C ATOM 834 O LYS A 58 22.706 -14.027 15.636 1.00 64.44 O ATOM 835 CB LYS A 58 25.522 -13.751 17.319 1.00 70.45 C ATOM 836 CG LYS A 58 24.826 -14.784 18.188 1.00 32.01 C ATOM 837 CD LYS A 58 25.769 -15.364 19.228 1.00 23.33 C ATOM 838 CE LYS A 58 25.168 -16.586 19.906 1.00 0.02 C ATOM 839 NZ LYS A 58 25.920 -16.965 21.134 1.00 24.50 N ATOM 0 H LYS A 58 26.684 -12.465 15.558 1.00 21.51 H new ATOM 0 HA LYS A 58 25.104 -14.824 15.503 1.00 52.41 H new ATOM 0 HB2 LYS A 58 26.599 -13.908 17.375 1.00 70.45 H new ATOM 0 HB3 LYS A 58 25.324 -12.757 17.721 1.00 70.45 H new ATOM 0 HG2 LYS A 58 23.971 -14.326 18.686 1.00 32.01 H new ATOM 0 HG3 LYS A 58 24.437 -15.586 17.561 1.00 32.01 H new ATOM 0 HD2 LYS A 58 26.712 -15.637 18.754 1.00 23.33 H new ATOM 0 HD3 LYS A 58 25.996 -14.606 19.977 1.00 23.33 H new ATOM 0 HE2 LYS A 58 24.129 -16.383 20.165 1.00 0.02 H new ATOM 0 HE3 LYS A 58 25.165 -17.424 19.209 1.00 0.02 H new ATOM 0 HZ1 LYS A 58 25.479 -17.802 21.567 1.00 24.50 H new ATOM 0 HZ2 LYS A 58 26.906 -17.183 20.884 1.00 24.50 H new ATOM 0 HZ3 LYS A 58 25.901 -16.175 21.810 1.00 24.50 H new ATOM 853 N LYS A 59 23.533 -11.936 15.695 1.00 34.15 N ATOM 854 CA LYS A 59 22.227 -11.299 15.569 1.00 44.44 C ATOM 855 C LYS A 59 21.613 -11.585 14.202 1.00 14.13 C ATOM 856 O LYS A 59 20.439 -11.943 14.103 1.00 3.20 O ATOM 857 CB LYS A 59 22.352 -9.788 15.777 1.00 45.32 C ATOM 858 CG LYS A 59 22.431 -9.379 17.238 1.00 71.52 C ATOM 859 CD LYS A 59 21.058 -9.051 17.799 1.00 13.14 C ATOM 860 CE LYS A 59 20.742 -7.569 17.669 1.00 5.35 C ATOM 861 NZ LYS A 59 19.418 -7.229 18.260 1.00 23.41 N ATOM 0 H LYS A 59 24.315 -11.285 15.762 1.00 34.15 H new ATOM 0 HA LYS A 59 21.573 -11.713 16.336 1.00 44.44 H new ATOM 0 HB2 LYS A 59 23.243 -9.431 15.260 1.00 45.32 H new ATOM 0 HB3 LYS A 59 21.496 -9.294 15.316 1.00 45.32 H new ATOM 0 HG2 LYS A 59 22.880 -10.185 17.819 1.00 71.52 H new ATOM 0 HG3 LYS A 59 23.083 -8.512 17.339 1.00 71.52 H new ATOM 0 HD2 LYS A 59 20.301 -9.633 17.274 1.00 13.14 H new ATOM 0 HD3 LYS A 59 21.013 -9.343 18.848 1.00 13.14 H new ATOM 0 HE2 LYS A 59 21.520 -6.987 18.163 1.00 5.35 H new ATOM 0 HE3 LYS A 59 20.753 -7.287 16.616 1.00 5.35 H new ATOM 0 HZ1 LYS A 59 19.240 -6.210 18.151 1.00 23.41 H new ATOM 0 HZ2 LYS A 59 18.672 -7.765 17.772 1.00 23.41 H new ATOM 0 HZ3 LYS A 59 19.416 -7.475 19.271 1.00 23.41 H new ATOM 875 N GLN A 60 22.413 -11.426 13.153 1.00 20.12 N ATOM 876 CA GLN A 60 21.946 -11.669 11.793 1.00 4.32 C ATOM 877 C GLN A 60 21.543 -13.128 11.608 1.00 13.24 C ATOM 878 O GLN A 60 20.804 -13.466 10.684 1.00 5.21 O ATOM 879 CB GLN A 60 23.034 -11.296 10.784 1.00 20.42 C ATOM 880 CG GLN A 60 22.630 -11.534 9.338 1.00 33.22 C ATOM 881 CD GLN A 60 23.680 -11.061 8.353 1.00 10.51 C ATOM 882 OE1 GLN A 60 24.682 -10.457 8.738 1.00 21.53 O ATOM 883 NE2 GLN A 60 23.456 -11.332 7.073 1.00 40.34 N ATOM 0 H GLN A 60 23.387 -11.130 13.218 1.00 20.12 H new ATOM 0 HA GLN A 60 21.070 -11.045 11.620 1.00 4.32 H new ATOM 0 HB2 GLN A 60 23.292 -10.245 10.912 1.00 20.42 H new ATOM 0 HB3 GLN A 60 23.933 -11.873 11.001 1.00 20.42 H new ATOM 0 HG2 GLN A 60 22.448 -12.598 9.186 1.00 33.22 H new ATOM 0 HG3 GLN A 60 21.691 -11.018 9.138 1.00 33.22 H new ATOM 0 HE21 GLN A 60 22.612 -11.835 6.798 1.00 40.34 H new ATOM 0 HE22 GLN A 60 24.128 -11.037 6.364 1.00 40.34 H new ATOM 892 N GLY A 61 22.033 -13.989 12.495 1.00 72.43 N ATOM 893 CA GLY A 61 21.712 -15.402 12.411 1.00 25.32 C ATOM 894 C GLY A 61 22.625 -16.148 11.458 1.00 72.32 C ATOM 895 O GLY A 61 22.224 -17.146 10.858 1.00 21.53 O ATOM 0 H GLY A 61 22.646 -13.734 13.269 1.00 72.43 H new ATOM 0 HA2 GLY A 61 21.785 -15.848 13.403 1.00 25.32 H new ATOM 0 HA3 GLY A 61 20.678 -15.518 12.085 1.00 25.32 H new ATOM 899 N ILE A 62 23.854 -15.663 11.316 1.00 75.02 N ATOM 900 CA ILE A 62 24.824 -16.291 10.428 1.00 43.41 C ATOM 901 C ILE A 62 26.225 -16.254 11.031 1.00 75.34 C ATOM 902 O ILE A 62 26.651 -15.236 11.575 1.00 50.12 O ATOM 903 CB ILE A 62 24.853 -15.604 9.050 1.00 51.14 C ATOM 904 CG1 ILE A 62 25.203 -14.122 9.201 1.00 33.10 C ATOM 905 CG2 ILE A 62 23.513 -15.769 8.348 1.00 40.50 C ATOM 906 CD1 ILE A 62 26.679 -13.831 9.046 1.00 11.12 C ATOM 0 H ILE A 62 24.201 -14.838 11.804 1.00 75.02 H new ATOM 0 HA ILE A 62 24.512 -17.328 10.302 1.00 43.41 H new ATOM 0 HB ILE A 62 25.622 -16.078 8.440 1.00 51.14 H new ATOM 0 HG12 ILE A 62 24.648 -13.548 8.459 1.00 33.10 H new ATOM 0 HG13 ILE A 62 24.874 -13.777 10.181 1.00 33.10 H new ATOM 0 HG21 ILE A 62 23.549 -15.278 7.375 1.00 40.50 H new ATOM 0 HG22 ILE A 62 23.302 -16.830 8.212 1.00 40.50 H new ATOM 0 HG23 ILE A 62 22.727 -15.317 8.953 1.00 40.50 H new ATOM 0 HD11 ILE A 62 26.854 -12.762 9.165 1.00 11.12 H new ATOM 0 HD12 ILE A 62 27.239 -14.377 9.805 1.00 11.12 H new ATOM 0 HD13 ILE A 62 27.010 -14.144 8.056 1.00 11.12 H new ATOM 918 N SER A 63 26.936 -17.372 10.928 1.00 22.32 N ATOM 919 CA SER A 63 28.288 -17.469 11.465 1.00 65.51 C ATOM 920 C SER A 63 29.198 -16.416 10.840 1.00 10.22 C ATOM 921 O SER A 63 28.806 -15.718 9.905 1.00 42.31 O ATOM 922 CB SER A 63 28.860 -18.866 11.214 1.00 22.34 C ATOM 923 OG SER A 63 28.062 -19.862 11.830 1.00 31.03 O ATOM 0 H SER A 63 26.599 -18.223 10.478 1.00 22.32 H new ATOM 0 HA SER A 63 28.239 -17.291 12.539 1.00 65.51 H new ATOM 0 HB2 SER A 63 28.916 -19.052 10.141 1.00 22.34 H new ATOM 0 HB3 SER A 63 29.878 -18.921 11.600 1.00 22.34 H new ATOM 0 HG SER A 63 28.448 -20.746 11.653 1.00 31.03 H new ATOM 929 N ARG A 64 30.414 -16.307 11.365 1.00 63.24 N ATOM 930 CA ARG A 64 31.380 -15.338 10.860 1.00 20.51 C ATOM 931 C ARG A 64 32.150 -15.907 9.672 1.00 42.22 C ATOM 932 O ARG A 64 33.380 -15.887 9.650 1.00 40.53 O ATOM 933 CB ARG A 64 32.355 -14.934 11.967 1.00 22.54 C ATOM 934 CG ARG A 64 33.037 -16.115 12.639 1.00 22.20 C ATOM 935 CD ARG A 64 34.538 -16.103 12.396 1.00 23.42 C ATOM 936 NE ARG A 64 35.071 -17.448 12.197 1.00 21.51 N ATOM 937 CZ ARG A 64 36.323 -17.696 11.829 1.00 3.11 C ATOM 938 NH1 ARG A 64 37.167 -16.694 11.622 1.00 70.44 N ATOM 939 NH2 ARG A 64 36.734 -18.947 11.668 1.00 31.43 N ATOM 0 H ARG A 64 30.754 -16.877 12.139 1.00 63.24 H new ATOM 0 HA ARG A 64 30.833 -14.456 10.528 1.00 20.51 H new ATOM 0 HB2 ARG A 64 33.116 -14.277 11.547 1.00 22.54 H new ATOM 0 HB3 ARG A 64 31.818 -14.359 12.721 1.00 22.54 H new ATOM 0 HG2 ARG A 64 32.841 -16.088 13.711 1.00 22.20 H new ATOM 0 HG3 ARG A 64 32.613 -17.045 12.260 1.00 22.20 H new ATOM 0 HD2 ARG A 64 34.759 -15.492 11.520 1.00 23.42 H new ATOM 0 HD3 ARG A 64 35.039 -15.636 13.244 1.00 23.42 H new ATOM 0 HE ARG A 64 34.447 -18.241 12.349 1.00 21.51 H new ATOM 0 HH11 ARG A 64 36.855 -15.731 11.745 1.00 70.44 H new ATOM 0 HH12 ARG A 64 38.128 -16.887 11.339 1.00 70.44 H new ATOM 0 HH21 ARG A 64 36.088 -19.720 11.827 1.00 31.43 H new ATOM 0 HH22 ARG A 64 37.696 -19.135 11.385 1.00 31.43 H new ATOM 953 N ASN A 65 31.417 -16.414 8.686 1.00 41.21 N ATOM 954 CA ASN A 65 32.031 -16.989 7.495 1.00 42.14 C ATOM 955 C ASN A 65 31.353 -16.472 6.229 1.00 2.25 C ATOM 956 O ASN A 65 31.264 -17.180 5.227 1.00 73.31 O ATOM 957 CB ASN A 65 31.952 -18.516 7.541 1.00 31.23 C ATOM 958 CG ASN A 65 32.313 -19.072 8.905 1.00 30.41 C ATOM 959 OD1 ASN A 65 31.440 -19.478 9.673 1.00 5.44 O ATOM 960 ND2 ASN A 65 33.605 -19.094 9.212 1.00 12.01 N ATOM 0 H ASN A 65 30.397 -16.438 8.688 1.00 41.21 H new ATOM 0 HA ASN A 65 33.078 -16.686 7.475 1.00 42.14 H new ATOM 0 HB2 ASN A 65 30.943 -18.833 7.278 1.00 31.23 H new ATOM 0 HB3 ASN A 65 32.624 -18.935 6.791 1.00 31.23 H new ATOM 0 HD21 ASN A 65 33.908 -19.458 10.115 1.00 12.01 H new ATOM 0 HD22 ASN A 65 34.294 -18.747 8.544 1.00 12.01 H new ATOM 967 N SER A 66 30.878 -15.232 6.284 1.00 12.31 N ATOM 968 CA SER A 66 30.205 -14.620 5.144 1.00 30.10 C ATOM 969 C SER A 66 30.117 -13.106 5.313 1.00 33.53 C ATOM 970 O SER A 66 29.154 -12.476 4.876 1.00 34.34 O ATOM 971 CB SER A 66 28.803 -15.209 4.977 1.00 53.44 C ATOM 972 OG SER A 66 28.563 -15.581 3.631 1.00 65.35 O ATOM 0 H SER A 66 30.947 -14.631 7.106 1.00 12.31 H new ATOM 0 HA SER A 66 30.790 -14.834 4.250 1.00 30.10 H new ATOM 0 HB2 SER A 66 28.692 -16.079 5.624 1.00 53.44 H new ATOM 0 HB3 SER A 66 28.058 -14.479 5.294 1.00 53.44 H new ATOM 0 HG SER A 66 27.661 -15.956 3.551 1.00 65.35 H new ATOM 978 N VAL A 67 31.130 -12.529 5.951 1.00 13.43 N ATOM 979 CA VAL A 67 31.169 -11.089 6.178 1.00 14.13 C ATOM 980 C VAL A 67 32.605 -10.588 6.283 1.00 14.34 C ATOM 981 O VAL A 67 33.351 -10.993 7.175 1.00 15.10 O ATOM 982 CB VAL A 67 30.406 -10.702 7.460 1.00 44.04 C ATOM 983 CG1 VAL A 67 28.906 -10.835 7.249 1.00 12.12 C ATOM 984 CG2 VAL A 67 30.867 -11.556 8.631 1.00 35.22 C ATOM 0 H VAL A 67 31.934 -13.036 6.320 1.00 13.43 H new ATOM 0 HA VAL A 67 30.686 -10.620 5.321 1.00 14.13 H new ATOM 0 HB VAL A 67 30.624 -9.660 7.692 1.00 44.04 H new ATOM 0 HG11 VAL A 67 28.384 -10.558 8.165 1.00 12.12 H new ATOM 0 HG12 VAL A 67 28.593 -10.176 6.439 1.00 12.12 H new ATOM 0 HG13 VAL A 67 28.665 -11.866 6.992 1.00 12.12 H new ATOM 0 HG21 VAL A 67 30.318 -11.270 9.528 1.00 35.22 H new ATOM 0 HG22 VAL A 67 30.680 -12.607 8.411 1.00 35.22 H new ATOM 0 HG23 VAL A 67 31.934 -11.404 8.794 1.00 35.22 H new ATOM 994 N ARG A 68 32.985 -9.704 5.367 1.00 4.41 N ATOM 995 CA ARG A 68 34.333 -9.147 5.356 1.00 31.11 C ATOM 996 C ARG A 68 34.370 -7.798 6.069 1.00 71.40 C ATOM 997 O ARG A 68 33.731 -6.838 5.637 1.00 23.42 O ATOM 998 CB ARG A 68 34.831 -8.990 3.918 1.00 11.32 C ATOM 999 CG ARG A 68 35.424 -10.262 3.337 1.00 65.44 C ATOM 1000 CD ARG A 68 35.967 -10.034 1.935 1.00 44.33 C ATOM 1001 NE ARG A 68 37.130 -10.872 1.655 1.00 41.04 N ATOM 1002 CZ ARG A 68 37.954 -10.668 0.633 1.00 61.12 C ATOM 1003 NH1 ARG A 68 37.744 -9.659 -0.201 1.00 43.11 N ATOM 1004 NH2 ARG A 68 38.991 -11.474 0.444 1.00 72.42 N ATOM 0 H ARG A 68 32.379 -9.358 4.623 1.00 4.41 H new ATOM 0 HA ARG A 68 34.989 -9.837 5.887 1.00 31.11 H new ATOM 0 HB2 ARG A 68 34.002 -8.665 3.289 1.00 11.32 H new ATOM 0 HB3 ARG A 68 35.583 -8.201 3.887 1.00 11.32 H new ATOM 0 HG2 ARG A 68 36.224 -10.620 3.984 1.00 65.44 H new ATOM 0 HG3 ARG A 68 34.662 -11.041 3.311 1.00 65.44 H new ATOM 0 HD2 ARG A 68 35.185 -10.244 1.205 1.00 44.33 H new ATOM 0 HD3 ARG A 68 36.239 -8.985 1.818 1.00 44.33 H new ATOM 0 HE ARG A 68 37.320 -11.657 2.278 1.00 41.04 H new ATOM 0 HH11 ARG A 68 36.948 -9.037 -0.059 1.00 43.11 H new ATOM 0 HH12 ARG A 68 38.378 -9.505 -0.985 1.00 43.11 H new ATOM 0 HH21 ARG A 68 39.156 -12.251 1.084 1.00 72.42 H new ATOM 0 HH22 ARG A 68 39.623 -11.316 -0.341 1.00 72.42 H new ATOM 1018 N PHE A 69 35.121 -7.734 7.163 1.00 4.21 N ATOM 1019 CA PHE A 69 35.241 -6.504 7.937 1.00 13.40 C ATOM 1020 C PHE A 69 36.522 -5.757 7.577 1.00 13.23 C ATOM 1021 O PHE A 69 37.617 -6.150 7.980 1.00 3.24 O ATOM 1022 CB PHE A 69 35.222 -6.815 9.435 1.00 11.31 C ATOM 1023 CG PHE A 69 33.841 -7.032 9.985 1.00 61.22 C ATOM 1024 CD1 PHE A 69 32.997 -7.975 9.421 1.00 23.50 C ATOM 1025 CD2 PHE A 69 33.387 -6.293 11.065 1.00 31.02 C ATOM 1026 CE1 PHE A 69 31.726 -8.178 9.925 1.00 62.53 C ATOM 1027 CE2 PHE A 69 32.117 -6.492 11.573 1.00 2.14 C ATOM 1028 CZ PHE A 69 31.285 -7.435 11.002 1.00 43.23 C ATOM 0 H PHE A 69 35.656 -8.519 7.534 1.00 4.21 H new ATOM 0 HA PHE A 69 34.390 -5.867 7.694 1.00 13.40 H new ATOM 0 HB2 PHE A 69 35.822 -7.706 9.621 1.00 11.31 H new ATOM 0 HB3 PHE A 69 35.694 -5.994 9.974 1.00 11.31 H new ATOM 0 HD1 PHE A 69 33.336 -8.558 8.578 1.00 23.50 H new ATOM 0 HD2 PHE A 69 34.032 -5.553 11.515 1.00 31.02 H new ATOM 0 HE1 PHE A 69 31.078 -8.917 9.477 1.00 62.53 H new ATOM 0 HE2 PHE A 69 31.775 -5.910 12.416 1.00 2.14 H new ATOM 0 HZ PHE A 69 30.292 -7.591 11.397 1.00 43.23 H new ATOM 1038 N LEU A 70 36.376 -4.678 6.816 1.00 63.13 N ATOM 1039 CA LEU A 70 37.521 -3.875 6.400 1.00 1.01 C ATOM 1040 C LEU A 70 37.417 -2.455 6.946 1.00 1.35 C ATOM 1041 O LEU A 70 36.327 -1.980 7.267 1.00 43.11 O ATOM 1042 CB LEU A 70 37.618 -3.841 4.874 1.00 53.32 C ATOM 1043 CG LEU A 70 36.290 -3.778 4.118 1.00 33.24 C ATOM 1044 CD1 LEU A 70 35.632 -2.420 4.307 1.00 40.05 C ATOM 1045 CD2 LEU A 70 36.503 -4.070 2.640 1.00 11.51 C ATOM 0 H LEU A 70 35.477 -4.339 6.475 1.00 63.13 H new ATOM 0 HA LEU A 70 38.422 -4.335 6.805 1.00 1.01 H new ATOM 0 HB2 LEU A 70 38.218 -2.977 4.587 1.00 53.32 H new ATOM 0 HB3 LEU A 70 38.159 -4.728 4.544 1.00 53.32 H new ATOM 0 HG LEU A 70 35.625 -4.540 4.525 1.00 33.24 H new ATOM 0 HD11 LEU A 70 34.688 -2.394 3.762 1.00 40.05 H new ATOM 0 HD12 LEU A 70 35.443 -2.251 5.367 1.00 40.05 H new ATOM 0 HD13 LEU A 70 36.292 -1.640 3.927 1.00 40.05 H new ATOM 0 HD21 LEU A 70 35.547 -4.021 2.118 1.00 11.51 H new ATOM 0 HD22 LEU A 70 37.185 -3.332 2.218 1.00 11.51 H new ATOM 0 HD23 LEU A 70 36.929 -5.067 2.524 1.00 11.51 H new ATOM 1057 N PHE A 71 38.558 -1.780 7.048 1.00 33.42 N ATOM 1058 CA PHE A 71 38.595 -0.413 7.555 1.00 61.45 C ATOM 1059 C PHE A 71 39.427 0.482 6.641 1.00 1.33 C ATOM 1060 O PHE A 71 40.656 0.409 6.634 1.00 0.22 O ATOM 1061 CB PHE A 71 39.168 -0.388 8.973 1.00 44.21 C ATOM 1062 CG PHE A 71 39.617 0.976 9.414 1.00 54.32 C ATOM 1063 CD1 PHE A 71 38.817 2.087 9.196 1.00 63.32 C ATOM 1064 CD2 PHE A 71 40.838 1.148 10.046 1.00 54.01 C ATOM 1065 CE1 PHE A 71 39.227 3.343 9.601 1.00 55.44 C ATOM 1066 CE2 PHE A 71 41.252 2.402 10.453 1.00 11.02 C ATOM 1067 CZ PHE A 71 40.446 3.501 10.229 1.00 0.22 C ATOM 0 H PHE A 71 39.469 -2.158 6.786 1.00 33.42 H new ATOM 0 HA PHE A 71 37.574 -0.031 7.577 1.00 61.45 H new ATOM 0 HB2 PHE A 71 38.413 -0.756 9.668 1.00 44.21 H new ATOM 0 HB3 PHE A 71 40.013 -1.075 9.027 1.00 44.21 H new ATOM 0 HD1 PHE A 71 37.863 1.970 8.704 1.00 63.32 H new ATOM 0 HD2 PHE A 71 41.473 0.293 10.222 1.00 54.01 H new ATOM 0 HE1 PHE A 71 38.594 4.200 9.426 1.00 55.44 H new ATOM 0 HE2 PHE A 71 42.205 2.523 10.946 1.00 11.02 H new ATOM 0 HZ PHE A 71 40.769 4.482 10.545 1.00 0.22 H new ATOM 1077 N ASP A 72 38.748 1.326 5.872 1.00 1.22 N ATOM 1078 CA ASP A 72 39.423 2.237 4.955 1.00 63.11 C ATOM 1079 C ASP A 72 40.247 1.464 3.930 1.00 61.12 C ATOM 1080 O ASP A 72 41.171 2.006 3.324 1.00 14.02 O ATOM 1081 CB ASP A 72 40.324 3.200 5.730 1.00 51.23 C ATOM 1082 CG ASP A 72 40.403 4.568 5.080 1.00 64.30 C ATOM 1083 OD1 ASP A 72 41.287 4.765 4.221 1.00 45.42 O ATOM 1084 OD2 ASP A 72 39.582 5.441 5.431 1.00 31.54 O ATOM 0 H ASP A 72 37.731 1.398 5.865 1.00 1.22 H new ATOM 0 HA ASP A 72 38.662 2.810 4.426 1.00 63.11 H new ATOM 0 HB2 ASP A 72 39.948 3.306 6.748 1.00 51.23 H new ATOM 0 HB3 ASP A 72 41.326 2.777 5.803 1.00 51.23 H new ATOM 1089 N GLY A 73 39.906 0.192 3.741 1.00 5.44 N ATOM 1090 CA GLY A 73 40.625 -0.635 2.790 1.00 1.01 C ATOM 1091 C GLY A 73 41.488 -1.681 3.467 1.00 32.33 C ATOM 1092 O GLY A 73 42.239 -2.401 2.807 1.00 13.44 O ATOM 0 H GLY A 73 39.145 -0.280 4.230 1.00 5.44 H new ATOM 0 HA2 GLY A 73 39.911 -1.129 2.130 1.00 1.01 H new ATOM 0 HA3 GLY A 73 41.252 -0.001 2.163 1.00 1.01 H new ATOM 1096 N THR A 74 41.383 -1.767 4.790 1.00 40.11 N ATOM 1097 CA THR A 74 42.162 -2.731 5.557 1.00 14.45 C ATOM 1098 C THR A 74 41.293 -3.893 6.023 1.00 33.23 C ATOM 1099 O THR A 74 40.608 -3.818 7.044 1.00 61.11 O ATOM 1100 CB THR A 74 42.819 -2.072 6.785 1.00 14.40 C ATOM 1101 OG1 THR A 74 41.811 -1.637 7.706 1.00 65.15 O ATOM 1102 CG2 THR A 74 43.677 -0.887 6.369 1.00 42.15 C ATOM 0 H THR A 74 40.766 -1.181 5.352 1.00 40.11 H new ATOM 0 HA THR A 74 42.942 -3.106 4.894 1.00 14.45 H new ATOM 0 HB THR A 74 43.458 -2.811 7.268 1.00 14.40 H new ATOM 0 HG1 THR A 74 41.195 -1.025 7.252 1.00 65.15 H new ATOM 0 HG21 THR A 74 44.130 -0.438 7.253 1.00 42.15 H new ATOM 0 HG22 THR A 74 44.461 -1.225 5.691 1.00 42.15 H new ATOM 0 HG23 THR A 74 43.056 -0.147 5.864 1.00 42.15 H new ATOM 1110 N PRO A 75 41.319 -4.996 5.260 1.00 41.32 N ATOM 1111 CA PRO A 75 40.540 -6.196 5.576 1.00 73.31 C ATOM 1112 C PRO A 75 41.065 -6.920 6.811 1.00 64.22 C ATOM 1113 O PRO A 75 41.995 -7.723 6.722 1.00 31.03 O ATOM 1114 CB PRO A 75 40.712 -7.069 4.330 1.00 23.35 C ATOM 1115 CG PRO A 75 42.002 -6.625 3.732 1.00 24.23 C ATOM 1116 CD PRO A 75 42.112 -5.155 4.029 1.00 22.24 C ATOM 0 HA PRO A 75 39.501 -5.959 5.807 1.00 73.31 H new ATOM 0 HB2 PRO A 75 40.739 -8.127 4.589 1.00 23.35 H new ATOM 0 HB3 PRO A 75 39.885 -6.932 3.633 1.00 23.35 H new ATOM 0 HG2 PRO A 75 42.840 -7.174 4.161 1.00 24.23 H new ATOM 0 HG3 PRO A 75 42.018 -6.808 2.658 1.00 24.23 H new ATOM 0 HD2 PRO A 75 43.148 -4.851 4.176 1.00 22.24 H new ATOM 0 HD3 PRO A 75 41.715 -4.549 3.214 1.00 22.24 H new ATOM 1124 N ILE A 76 40.465 -6.631 7.960 1.00 20.54 N ATOM 1125 CA ILE A 76 40.872 -7.257 9.213 1.00 45.35 C ATOM 1126 C ILE A 76 39.695 -7.381 10.174 1.00 41.43 C ATOM 1127 O ILE A 76 38.868 -6.475 10.278 1.00 13.01 O ATOM 1128 CB ILE A 76 41.999 -6.462 9.898 1.00 1.53 C ATOM 1129 CG1 ILE A 76 43.264 -6.481 9.037 1.00 13.22 C ATOM 1130 CG2 ILE A 76 42.284 -7.031 11.280 1.00 11.01 C ATOM 1131 CD1 ILE A 76 43.885 -7.854 8.906 1.00 55.10 C ATOM 0 H ILE A 76 39.695 -5.968 8.050 1.00 20.54 H new ATOM 0 HA ILE A 76 41.240 -8.252 8.964 1.00 45.35 H new ATOM 0 HB ILE A 76 41.676 -5.427 10.012 1.00 1.53 H new ATOM 0 HG12 ILE A 76 43.023 -6.104 8.043 1.00 13.22 H new ATOM 0 HG13 ILE A 76 43.997 -5.799 9.468 1.00 13.22 H new ATOM 0 HG21 ILE A 76 43.083 -6.459 11.752 1.00 11.01 H new ATOM 0 HG22 ILE A 76 41.384 -6.969 11.892 1.00 11.01 H new ATOM 0 HG23 ILE A 76 42.590 -8.073 11.188 1.00 11.01 H new ATOM 0 HD11 ILE A 76 44.777 -7.792 8.283 1.00 55.10 H new ATOM 0 HD12 ILE A 76 44.158 -8.226 9.894 1.00 55.10 H new ATOM 0 HD13 ILE A 76 43.168 -8.535 8.447 1.00 55.10 H new ATOM 1143 N ASP A 77 39.627 -8.507 10.875 1.00 4.32 N ATOM 1144 CA ASP A 77 38.553 -8.749 11.831 1.00 11.40 C ATOM 1145 C ASP A 77 39.114 -9.008 13.226 1.00 43.34 C ATOM 1146 O ASP A 77 39.355 -10.153 13.605 1.00 62.35 O ATOM 1147 CB ASP A 77 37.700 -9.936 11.382 1.00 21.33 C ATOM 1148 CG ASP A 77 38.529 -11.039 10.753 1.00 33.14 C ATOM 1149 OD1 ASP A 77 39.297 -11.695 11.487 1.00 62.00 O ATOM 1150 OD2 ASP A 77 38.409 -11.246 9.527 1.00 2.14 O ATOM 0 H ASP A 77 40.303 -9.267 10.799 1.00 4.32 H new ATOM 0 HA ASP A 77 37.928 -7.857 11.871 1.00 11.40 H new ATOM 0 HB2 ASP A 77 37.159 -10.336 12.240 1.00 21.33 H new ATOM 0 HB3 ASP A 77 36.953 -9.593 10.666 1.00 21.33 H new ATOM 1155 N GLU A 78 39.321 -7.935 13.984 1.00 71.24 N ATOM 1156 CA GLU A 78 39.856 -8.048 15.335 1.00 11.34 C ATOM 1157 C GLU A 78 40.017 -6.671 15.973 1.00 15.33 C ATOM 1158 O GLU A 78 39.814 -5.645 15.323 1.00 10.52 O ATOM 1159 CB GLU A 78 41.203 -8.773 15.316 1.00 60.11 C ATOM 1160 CG GLU A 78 42.192 -8.194 14.318 1.00 10.45 C ATOM 1161 CD GLU A 78 42.747 -9.240 13.372 1.00 22.32 C ATOM 1162 OE1 GLU A 78 41.943 -9.906 12.687 1.00 34.55 O ATOM 1163 OE2 GLU A 78 43.985 -9.393 13.316 1.00 21.52 O ATOM 0 H GLU A 78 39.126 -6.979 13.685 1.00 71.24 H new ATOM 0 HA GLU A 78 39.149 -8.626 15.930 1.00 11.34 H new ATOM 0 HB2 GLU A 78 41.641 -8.734 16.313 1.00 60.11 H new ATOM 0 HB3 GLU A 78 41.037 -9.824 15.082 1.00 60.11 H new ATOM 0 HG2 GLU A 78 41.702 -7.410 13.740 1.00 10.45 H new ATOM 0 HG3 GLU A 78 43.015 -7.725 14.858 1.00 10.45 H new ATOM 1170 N THR A 79 40.382 -6.656 17.252 1.00 53.05 N ATOM 1171 CA THR A 79 40.568 -5.407 17.979 1.00 50.22 C ATOM 1172 C THR A 79 42.021 -5.229 18.403 1.00 22.34 C ATOM 1173 O THR A 79 42.304 -4.729 19.492 1.00 24.23 O ATOM 1174 CB THR A 79 39.669 -5.345 19.228 1.00 52.40 C ATOM 1175 OG1 THR A 79 38.388 -5.916 18.939 1.00 63.42 O ATOM 1176 CG2 THR A 79 39.494 -3.908 19.698 1.00 61.31 C ATOM 0 H THR A 79 40.554 -7.495 17.805 1.00 53.05 H new ATOM 0 HA THR A 79 40.289 -4.601 17.300 1.00 50.22 H new ATOM 0 HB THR A 79 40.150 -5.915 20.023 1.00 52.40 H new ATOM 0 HG1 THR A 79 38.322 -6.102 17.979 1.00 63.42 H new ATOM 0 HG21 THR A 79 38.855 -3.889 20.581 1.00 61.31 H new ATOM 0 HG22 THR A 79 40.468 -3.485 19.945 1.00 61.31 H new ATOM 0 HG23 THR A 79 39.033 -3.319 18.905 1.00 61.31 H new ATOM 1184 N LYS A 80 42.940 -5.641 17.537 1.00 64.40 N ATOM 1185 CA LYS A 80 44.366 -5.526 17.821 1.00 60.44 C ATOM 1186 C LYS A 80 45.097 -4.844 16.669 1.00 55.43 C ATOM 1187 O LYS A 80 45.818 -3.866 16.869 1.00 14.43 O ATOM 1188 CB LYS A 80 44.970 -6.910 18.073 1.00 50.30 C ATOM 1189 CG LYS A 80 44.351 -7.637 19.254 1.00 23.30 C ATOM 1190 CD LYS A 80 44.519 -6.851 20.543 1.00 30.04 C ATOM 1191 CE LYS A 80 45.987 -6.672 20.900 1.00 53.51 C ATOM 1192 NZ LYS A 80 46.184 -6.494 22.365 1.00 12.52 N ATOM 0 H LYS A 80 42.723 -6.058 16.632 1.00 64.40 H new ATOM 0 HA LYS A 80 44.484 -4.915 18.716 1.00 60.44 H new ATOM 0 HB2 LYS A 80 44.848 -7.519 17.177 1.00 50.30 H new ATOM 0 HB3 LYS A 80 46.041 -6.804 18.243 1.00 50.30 H new ATOM 0 HG2 LYS A 80 43.291 -7.804 19.064 1.00 23.30 H new ATOM 0 HG3 LYS A 80 44.814 -8.618 19.362 1.00 23.30 H new ATOM 0 HD2 LYS A 80 44.047 -5.874 20.439 1.00 30.04 H new ATOM 0 HD3 LYS A 80 44.006 -7.367 21.355 1.00 30.04 H new ATOM 0 HE2 LYS A 80 46.552 -7.540 20.561 1.00 53.51 H new ATOM 0 HE3 LYS A 80 46.386 -5.806 20.372 1.00 53.51 H new ATOM 0 HZ1 LYS A 80 47.197 -6.375 22.567 1.00 12.52 H new ATOM 0 HZ2 LYS A 80 45.666 -5.651 22.685 1.00 12.52 H new ATOM 0 HZ3 LYS A 80 45.827 -7.331 22.868 1.00 12.52 H new ATOM 1206 N THR A 81 44.905 -5.364 15.461 1.00 74.15 N ATOM 1207 CA THR A 81 45.545 -4.805 14.277 1.00 53.42 C ATOM 1208 C THR A 81 45.009 -3.411 13.968 1.00 34.44 C ATOM 1209 O THR A 81 45.749 -2.428 13.936 1.00 71.22 O ATOM 1210 CB THR A 81 45.336 -5.707 13.046 1.00 52.32 C ATOM 1211 OG1 THR A 81 44.590 -6.872 13.413 1.00 35.25 O ATOM 1212 CG2 THR A 81 46.671 -6.122 12.446 1.00 11.41 C ATOM 0 H THR A 81 44.311 -6.172 15.277 1.00 74.15 H new ATOM 0 HA THR A 81 46.611 -4.742 14.495 1.00 53.42 H new ATOM 0 HB THR A 81 44.780 -5.141 12.299 1.00 52.32 H new ATOM 0 HG1 THR A 81 44.886 -7.634 12.872 1.00 35.25 H new ATOM 0 HG21 THR A 81 46.498 -6.758 11.578 1.00 11.41 H new ATOM 0 HG22 THR A 81 47.224 -5.234 12.140 1.00 11.41 H new ATOM 0 HG23 THR A 81 47.249 -6.671 13.189 1.00 11.41 H new ATOM 1220 N PRO A 82 43.690 -3.322 13.737 1.00 4.50 N ATOM 1221 CA PRO A 82 43.026 -2.052 13.428 1.00 34.04 C ATOM 1222 C PRO A 82 42.978 -1.115 14.631 1.00 73.43 C ATOM 1223 O PRO A 82 42.853 0.099 14.478 1.00 40.14 O ATOM 1224 CB PRO A 82 41.612 -2.480 13.027 1.00 32.35 C ATOM 1225 CG PRO A 82 41.401 -3.784 13.717 1.00 41.01 C ATOM 1226 CD PRO A 82 42.747 -4.452 13.759 1.00 24.35 C ATOM 0 HA PRO A 82 43.553 -1.494 12.654 1.00 34.04 H new ATOM 0 HB2 PRO A 82 40.872 -1.743 13.339 1.00 32.35 H new ATOM 0 HB3 PRO A 82 41.522 -2.585 11.946 1.00 32.35 H new ATOM 0 HG2 PRO A 82 41.008 -3.634 14.723 1.00 41.01 H new ATOM 0 HG3 PRO A 82 40.677 -4.397 13.180 1.00 41.01 H new ATOM 0 HD2 PRO A 82 42.867 -5.058 14.657 1.00 24.35 H new ATOM 0 HD3 PRO A 82 42.894 -5.114 12.906 1.00 24.35 H new ATOM 1234 N GLU A 83 43.078 -1.689 15.826 1.00 0.50 N ATOM 1235 CA GLU A 83 43.046 -0.903 17.054 1.00 34.12 C ATOM 1236 C GLU A 83 44.374 -0.186 17.277 1.00 23.50 C ATOM 1237 O GLU A 83 44.405 1.007 17.574 1.00 14.20 O ATOM 1238 CB GLU A 83 42.731 -1.801 18.252 1.00 31.52 C ATOM 1239 CG GLU A 83 42.128 -1.056 19.431 1.00 52.55 C ATOM 1240 CD GLU A 83 43.091 -0.928 20.595 1.00 53.11 C ATOM 1241 OE1 GLU A 83 43.412 -1.962 21.216 1.00 35.34 O ATOM 1242 OE2 GLU A 83 43.524 0.207 20.884 1.00 14.42 O ATOM 0 H GLU A 83 43.182 -2.693 15.970 1.00 0.50 H new ATOM 0 HA GLU A 83 42.261 -0.153 16.954 1.00 34.12 H new ATOM 0 HB2 GLU A 83 42.041 -2.584 17.937 1.00 31.52 H new ATOM 0 HB3 GLU A 83 43.647 -2.295 18.576 1.00 31.52 H new ATOM 0 HG2 GLU A 83 41.820 -0.061 19.108 1.00 52.55 H new ATOM 0 HG3 GLU A 83 41.229 -1.576 19.763 1.00 52.55 H new ATOM 1249 N GLU A 84 45.470 -0.925 17.132 1.00 60.13 N ATOM 1250 CA GLU A 84 46.801 -0.360 17.319 1.00 64.55 C ATOM 1251 C GLU A 84 47.183 0.533 16.142 1.00 3.31 C ATOM 1252 O GLU A 84 47.867 1.544 16.312 1.00 71.14 O ATOM 1253 CB GLU A 84 47.835 -1.477 17.481 1.00 32.05 C ATOM 1254 CG GLU A 84 48.978 -1.117 18.415 1.00 1.33 C ATOM 1255 CD GLU A 84 50.292 -0.927 17.683 1.00 40.14 C ATOM 1256 OE1 GLU A 84 50.375 -0.005 16.844 1.00 3.24 O ATOM 1257 OE2 GLU A 84 51.236 -1.700 17.947 1.00 44.12 O ATOM 0 H GLU A 84 45.462 -1.915 16.886 1.00 60.13 H new ATOM 0 HA GLU A 84 46.786 0.247 18.224 1.00 64.55 H new ATOM 0 HB2 GLU A 84 47.337 -2.370 17.858 1.00 32.05 H new ATOM 0 HB3 GLU A 84 48.242 -1.728 16.502 1.00 32.05 H new ATOM 0 HG2 GLU A 84 48.729 -0.201 18.951 1.00 1.33 H new ATOM 0 HG3 GLU A 84 49.093 -1.902 19.162 1.00 1.33 H new ATOM 1264 N LEU A 85 46.738 0.154 14.950 1.00 72.34 N ATOM 1265 CA LEU A 85 47.033 0.920 13.743 1.00 35.44 C ATOM 1266 C LEU A 85 46.160 2.168 13.665 1.00 44.53 C ATOM 1267 O LEU A 85 46.590 3.208 13.166 1.00 61.20 O ATOM 1268 CB LEU A 85 46.817 0.054 12.501 1.00 42.13 C ATOM 1269 CG LEU A 85 47.604 0.461 11.254 1.00 10.54 C ATOM 1270 CD1 LEU A 85 48.984 -0.178 11.262 1.00 50.42 C ATOM 1271 CD2 LEU A 85 46.843 0.077 9.994 1.00 50.11 C ATOM 0 H LEU A 85 46.171 -0.679 14.792 1.00 72.34 H new ATOM 0 HA LEU A 85 48.077 1.231 13.784 1.00 35.44 H new ATOM 0 HB2 LEU A 85 47.077 -0.975 12.750 1.00 42.13 H new ATOM 0 HB3 LEU A 85 45.755 0.064 12.256 1.00 42.13 H new ATOM 0 HG LEU A 85 47.728 1.544 11.263 1.00 10.54 H new ATOM 0 HD11 LEU A 85 49.529 0.123 10.367 1.00 50.42 H new ATOM 0 HD12 LEU A 85 49.531 0.148 12.147 1.00 50.42 H new ATOM 0 HD13 LEU A 85 48.882 -1.263 11.277 1.00 50.42 H new ATOM 0 HD21 LEU A 85 47.418 0.374 9.117 1.00 50.11 H new ATOM 0 HD22 LEU A 85 46.687 -1.002 9.977 1.00 50.11 H new ATOM 0 HD23 LEU A 85 45.878 0.583 9.984 1.00 50.11 H new ATOM 1283 N GLY A 86 44.932 2.059 14.163 1.00 44.10 N ATOM 1284 CA GLY A 86 44.020 3.187 14.141 1.00 12.32 C ATOM 1285 C GLY A 86 44.440 4.291 15.092 1.00 74.03 C ATOM 1286 O GLY A 86 44.619 5.437 14.682 1.00 53.34 O ATOM 0 H GLY A 86 44.553 1.209 14.581 1.00 44.10 H new ATOM 0 HA2 GLY A 86 43.965 3.586 13.128 1.00 12.32 H new ATOM 0 HA3 GLY A 86 43.019 2.846 14.405 1.00 12.32 H new ATOM 1290 N MET A 87 44.595 3.945 16.365 1.00 3.34 N ATOM 1291 CA MET A 87 44.996 4.916 17.377 1.00 42.51 C ATOM 1292 C MET A 87 43.939 6.005 17.534 1.00 3.04 C ATOM 1293 O MET A 87 44.240 7.115 17.971 1.00 42.42 O ATOM 1294 CB MET A 87 46.341 5.545 17.007 1.00 60.24 C ATOM 1295 CG MET A 87 47.405 4.526 16.631 1.00 51.11 C ATOM 1296 SD MET A 87 49.078 5.179 16.789 1.00 42.04 S ATOM 1297 CE MET A 87 49.409 5.675 15.099 1.00 34.15 C ATOM 0 H MET A 87 44.449 3.000 16.721 1.00 3.34 H new ATOM 0 HA MET A 87 45.097 4.392 18.327 1.00 42.51 H new ATOM 0 HB2 MET A 87 46.195 6.231 16.172 1.00 60.24 H new ATOM 0 HB3 MET A 87 46.699 6.139 17.848 1.00 60.24 H new ATOM 0 HG2 MET A 87 47.301 3.646 17.266 1.00 51.11 H new ATOM 0 HG3 MET A 87 47.242 4.199 15.604 1.00 51.11 H new ATOM 0 HE1 MET A 87 50.411 6.100 15.034 1.00 34.15 H new ATOM 0 HE2 MET A 87 49.340 4.806 14.445 1.00 34.15 H new ATOM 0 HE3 MET A 87 48.678 6.421 14.789 1.00 34.15 H new ATOM 1307 N GLU A 88 42.702 5.678 17.176 1.00 55.42 N ATOM 1308 CA GLU A 88 41.601 6.630 17.277 1.00 44.10 C ATOM 1309 C GLU A 88 40.331 5.943 17.771 1.00 4.20 C ATOM 1310 O GLU A 88 40.220 4.718 17.730 1.00 33.23 O ATOM 1311 CB GLU A 88 41.343 7.290 15.921 1.00 13.51 C ATOM 1312 CG GLU A 88 40.797 8.704 16.027 1.00 13.51 C ATOM 1313 CD GLU A 88 41.397 9.640 14.996 1.00 10.51 C ATOM 1314 OE1 GLU A 88 41.207 9.393 13.787 1.00 31.22 O ATOM 1315 OE2 GLU A 88 42.057 10.621 15.399 1.00 11.22 O ATOM 0 H GLU A 88 42.436 4.762 16.814 1.00 55.42 H new ATOM 0 HA GLU A 88 41.882 7.397 17.999 1.00 44.10 H new ATOM 0 HB2 GLU A 88 42.273 7.310 15.353 1.00 13.51 H new ATOM 0 HB3 GLU A 88 40.639 6.679 15.357 1.00 13.51 H new ATOM 0 HG2 GLU A 88 39.714 8.681 15.905 1.00 13.51 H new ATOM 0 HG3 GLU A 88 40.997 9.093 17.025 1.00 13.51 H new ATOM 1322 N ASP A 89 39.378 6.741 18.238 1.00 53.43 N ATOM 1323 CA ASP A 89 38.115 6.212 18.740 1.00 60.34 C ATOM 1324 C ASP A 89 37.035 6.271 17.664 1.00 51.40 C ATOM 1325 O ASP A 89 35.848 6.118 17.953 1.00 60.41 O ATOM 1326 CB ASP A 89 37.665 6.992 19.976 1.00 42.35 C ATOM 1327 CG ASP A 89 37.798 8.492 19.794 1.00 62.55 C ATOM 1328 OD1 ASP A 89 36.849 9.113 19.272 1.00 75.23 O ATOM 1329 OD2 ASP A 89 38.852 9.044 20.174 1.00 74.33 O ATOM 0 H ASP A 89 39.456 7.757 18.280 1.00 53.43 H new ATOM 0 HA ASP A 89 38.271 5.169 19.016 1.00 60.34 H new ATOM 0 HB2 ASP A 89 36.627 6.747 20.199 1.00 42.35 H new ATOM 0 HB3 ASP A 89 38.258 6.679 20.835 1.00 42.35 H new ATOM 1334 N ASP A 90 37.454 6.497 16.424 1.00 61.42 N ATOM 1335 CA ASP A 90 36.523 6.577 15.305 1.00 73.15 C ATOM 1336 C ASP A 90 36.788 5.464 14.296 1.00 70.51 C ATOM 1337 O ASP A 90 36.771 5.691 13.086 1.00 1.32 O ATOM 1338 CB ASP A 90 36.632 7.940 14.619 1.00 62.31 C ATOM 1339 CG ASP A 90 36.047 9.059 15.458 1.00 31.40 C ATOM 1340 OD1 ASP A 90 35.002 8.832 16.102 1.00 33.14 O ATOM 1341 OD2 ASP A 90 36.634 10.161 15.470 1.00 54.23 O ATOM 0 H ASP A 90 38.433 6.628 16.168 1.00 61.42 H new ATOM 0 HA ASP A 90 35.513 6.455 15.696 1.00 73.15 H new ATOM 0 HB2 ASP A 90 37.680 8.156 14.411 1.00 62.31 H new ATOM 0 HB3 ASP A 90 36.117 7.902 13.659 1.00 62.31 H new ATOM 1346 N ASP A 91 37.034 4.260 14.802 1.00 14.11 N ATOM 1347 CA ASP A 91 37.303 3.111 13.946 1.00 73.23 C ATOM 1348 C ASP A 91 36.038 2.668 13.217 1.00 52.44 C ATOM 1349 O ASP A 91 35.044 2.301 13.843 1.00 13.42 O ATOM 1350 CB ASP A 91 37.862 1.952 14.772 1.00 33.32 C ATOM 1351 CG ASP A 91 37.703 0.615 14.076 1.00 61.54 C ATOM 1352 OD1 ASP A 91 36.595 0.043 14.135 1.00 33.34 O ATOM 1353 OD2 ASP A 91 38.688 0.139 13.471 1.00 14.44 O ATOM 0 H ASP A 91 37.053 4.055 15.801 1.00 14.11 H new ATOM 0 HA ASP A 91 38.044 3.408 13.204 1.00 73.23 H new ATOM 0 HB2 ASP A 91 38.918 2.130 14.974 1.00 33.32 H new ATOM 0 HB3 ASP A 91 37.355 1.919 15.736 1.00 33.32 H new ATOM 1358 N VAL A 92 36.082 2.707 11.889 1.00 61.14 N ATOM 1359 CA VAL A 92 34.940 2.310 11.074 1.00 50.12 C ATOM 1360 C VAL A 92 35.194 0.974 10.384 1.00 4.52 C ATOM 1361 O VAL A 92 36.326 0.663 10.011 1.00 53.14 O ATOM 1362 CB VAL A 92 34.615 3.373 10.007 1.00 65.41 C ATOM 1363 CG1 VAL A 92 34.599 4.762 10.625 1.00 54.40 C ATOM 1364 CG2 VAL A 92 35.615 3.301 8.863 1.00 65.01 C ATOM 0 H VAL A 92 36.896 3.010 11.355 1.00 61.14 H new ATOM 0 HA VAL A 92 34.090 2.211 11.749 1.00 50.12 H new ATOM 0 HB VAL A 92 33.622 3.169 9.606 1.00 65.41 H new ATOM 0 HG11 VAL A 92 34.368 5.500 9.856 1.00 54.40 H new ATOM 0 HG12 VAL A 92 33.841 4.803 11.407 1.00 54.40 H new ATOM 0 HG13 VAL A 92 35.577 4.980 11.055 1.00 54.40 H new ATOM 0 HG21 VAL A 92 35.371 4.058 8.118 1.00 65.01 H new ATOM 0 HG22 VAL A 92 36.620 3.479 9.246 1.00 65.01 H new ATOM 0 HG23 VAL A 92 35.572 2.313 8.404 1.00 65.01 H new ATOM 1374 N ILE A 93 34.135 0.189 10.218 1.00 4.42 N ATOM 1375 CA ILE A 93 34.244 -1.112 9.572 1.00 60.52 C ATOM 1376 C ILE A 93 33.112 -1.326 8.573 1.00 61.24 C ATOM 1377 O ILE A 93 31.945 -1.424 8.952 1.00 1.54 O ATOM 1378 CB ILE A 93 34.226 -2.256 10.603 1.00 63.31 C ATOM 1379 CG1 ILE A 93 35.188 -1.950 11.753 1.00 31.40 C ATOM 1380 CG2 ILE A 93 34.590 -3.575 9.937 1.00 23.14 C ATOM 1381 CD1 ILE A 93 36.639 -1.891 11.328 1.00 35.22 C ATOM 0 H ILE A 93 33.192 0.432 10.522 1.00 4.42 H new ATOM 0 HA ILE A 93 35.198 -1.124 9.045 1.00 60.52 H new ATOM 0 HB ILE A 93 33.219 -2.343 11.010 1.00 63.31 H new ATOM 0 HG12 ILE A 93 34.911 -0.997 12.204 1.00 31.40 H new ATOM 0 HG13 ILE A 93 35.074 -2.712 12.524 1.00 31.40 H new ATOM 0 HG21 ILE A 93 34.573 -4.374 10.678 1.00 23.14 H new ATOM 0 HG22 ILE A 93 33.870 -3.796 9.149 1.00 23.14 H new ATOM 0 HG23 ILE A 93 35.588 -3.502 9.506 1.00 23.14 H new ATOM 0 HD11 ILE A 93 37.263 -1.670 12.194 1.00 35.22 H new ATOM 0 HD12 ILE A 93 36.933 -2.851 10.904 1.00 35.22 H new ATOM 0 HD13 ILE A 93 36.767 -1.109 10.579 1.00 35.22 H new ATOM 1393 N ASP A 94 33.465 -1.400 7.294 1.00 22.11 N ATOM 1394 CA ASP A 94 32.479 -1.606 6.239 1.00 5.32 C ATOM 1395 C ASP A 94 32.341 -3.088 5.907 1.00 55.03 C ATOM 1396 O ASP A 94 33.220 -3.679 5.281 1.00 3.03 O ATOM 1397 CB ASP A 94 32.873 -0.824 4.985 1.00 14.40 C ATOM 1398 CG ASP A 94 31.725 -0.003 4.431 1.00 75.22 C ATOM 1399 OD1 ASP A 94 30.697 -0.602 4.050 1.00 54.13 O ATOM 1400 OD2 ASP A 94 31.853 1.238 4.379 1.00 64.32 O ATOM 0 H ASP A 94 34.426 -1.320 6.963 1.00 22.11 H new ATOM 0 HA ASP A 94 31.516 -1.241 6.598 1.00 5.32 H new ATOM 0 HB2 ASP A 94 33.708 -0.164 5.219 1.00 14.40 H new ATOM 0 HB3 ASP A 94 33.221 -1.519 4.221 1.00 14.40 H new ATOM 1405 N ALA A 95 31.230 -3.683 6.330 1.00 0.33 N ATOM 1406 CA ALA A 95 30.976 -5.095 6.077 1.00 74.32 C ATOM 1407 C ALA A 95 30.582 -5.330 4.622 1.00 14.34 C ATOM 1408 O ALA A 95 29.550 -4.841 4.163 1.00 42.45 O ATOM 1409 CB ALA A 95 29.890 -5.612 7.009 1.00 0.35 C ATOM 0 H ALA A 95 30.492 -3.208 6.850 1.00 0.33 H new ATOM 0 HA ALA A 95 31.897 -5.644 6.271 1.00 74.32 H new ATOM 0 HB1 ALA A 95 29.711 -6.668 6.808 1.00 0.35 H new ATOM 0 HB2 ALA A 95 30.209 -5.488 8.044 1.00 0.35 H new ATOM 0 HB3 ALA A 95 28.971 -5.050 6.843 1.00 0.35 H new ATOM 1415 N MET A 96 31.410 -6.080 3.903 1.00 32.24 N ATOM 1416 CA MET A 96 31.147 -6.379 2.501 1.00 74.44 C ATOM 1417 C MET A 96 30.883 -7.869 2.302 1.00 2.25 C ATOM 1418 O MET A 96 31.348 -8.701 3.082 1.00 14.43 O ATOM 1419 CB MET A 96 32.327 -5.938 1.633 1.00 72.42 C ATOM 1420 CG MET A 96 32.338 -4.448 1.334 1.00 70.01 C ATOM 1421 SD MET A 96 33.717 -3.962 0.279 1.00 53.53 S ATOM 1422 CE MET A 96 33.424 -2.201 0.129 1.00 11.24 C ATOM 0 H MET A 96 32.269 -6.492 4.268 1.00 32.24 H new ATOM 0 HA MET A 96 30.257 -5.827 2.199 1.00 74.44 H new ATOM 0 HB2 MET A 96 33.257 -6.206 2.135 1.00 72.42 H new ATOM 0 HB3 MET A 96 32.302 -6.489 0.693 1.00 72.42 H new ATOM 0 HG2 MET A 96 31.401 -4.171 0.851 1.00 70.01 H new ATOM 0 HG3 MET A 96 32.389 -3.894 2.271 1.00 70.01 H new ATOM 0 HE1 MET A 96 34.197 -1.756 -0.497 1.00 11.24 H new ATOM 0 HE2 MET A 96 32.447 -2.032 -0.325 1.00 11.24 H new ATOM 0 HE3 MET A 96 33.449 -1.742 1.118 1.00 11.24 H new ATOM 1432 N VAL A 97 30.135 -8.199 1.254 1.00 10.35 N ATOM 1433 CA VAL A 97 29.811 -9.588 0.954 1.00 54.02 C ATOM 1434 C VAL A 97 30.567 -10.075 -0.277 1.00 50.21 C ATOM 1435 O VAL A 97 30.711 -9.345 -1.257 1.00 62.23 O ATOM 1436 CB VAL A 97 28.299 -9.774 0.721 1.00 44.20 C ATOM 1437 CG1 VAL A 97 27.970 -11.242 0.497 1.00 0.20 C ATOM 1438 CG2 VAL A 97 27.507 -9.214 1.893 1.00 45.11 C ATOM 0 H VAL A 97 29.742 -7.523 0.599 1.00 10.35 H new ATOM 0 HA VAL A 97 30.113 -10.178 1.820 1.00 54.02 H new ATOM 0 HB VAL A 97 28.016 -9.222 -0.176 1.00 44.20 H new ATOM 0 HG11 VAL A 97 26.898 -11.354 0.334 1.00 0.20 H new ATOM 0 HG12 VAL A 97 28.510 -11.607 -0.377 1.00 0.20 H new ATOM 0 HG13 VAL A 97 28.266 -11.819 1.373 1.00 0.20 H new ATOM 0 HG21 VAL A 97 26.441 -9.354 1.712 1.00 45.11 H new ATOM 0 HG22 VAL A 97 27.791 -9.736 2.807 1.00 45.11 H new ATOM 0 HG23 VAL A 97 27.720 -8.151 2.001 1.00 45.11 H new