USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=10 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 63 SER OG : rot -119:sc= 0.239 USER MOD Set 1.2: A 65 ASN : amide:sc= 0.089 K(o=0.33,f=-2.3!) USER MOD Set 2.1: A 33 ASN : amide:sc= -2.24 K(o=-2.7,f=-6.3!) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= -0.489 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -160:sc= -1.43 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 57 CYS SG : rot 85:sc= -2.94! 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 X(o=0,f=-0.0056) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 79:sc= 0.672 USER MOD Single : A 79 THR OG1 : rot -42:sc= 0.702 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -120:sc= -0.525 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 48.541 -3.098 26.567 1.00 34.11 N ATOM 299 CA ALA A 25 48.162 -1.692 26.514 1.00 15.41 C ATOM 300 C ALA A 25 46.671 -1.514 26.785 1.00 5.03 C ATOM 301 O ALA A 25 45.875 -2.425 26.556 1.00 62.33 O ATOM 302 CB ALA A 25 48.529 -1.097 25.163 1.00 54.43 C ATOM 0 HA ALA A 25 48.712 -1.164 27.293 1.00 15.41 H new ATOM 0 HB1 ALA A 25 48.240 -0.046 25.138 1.00 54.43 H new ATOM 0 HB2 ALA A 25 49.605 -1.181 25.008 1.00 54.43 H new ATOM 0 HB3 ALA A 25 48.006 -1.636 24.374 1.00 54.43 H new ATOM 308 N LEU A 26 46.300 -0.336 27.275 1.00 25.44 N ATOM 309 CA LEU A 26 44.905 -0.039 27.579 1.00 72.32 C ATOM 310 C LEU A 26 44.449 1.227 26.861 1.00 60.23 C ATOM 311 O LEU A 26 45.077 2.279 26.977 1.00 13.52 O ATOM 312 CB LEU A 26 44.713 0.120 29.088 1.00 22.41 C ATOM 313 CG LEU A 26 45.151 -1.066 29.949 1.00 41.12 C ATOM 314 CD1 LEU A 26 45.669 -0.585 31.295 1.00 22.45 C ATOM 315 CD2 LEU A 26 44.000 -2.043 30.136 1.00 34.12 C ATOM 0 H LEU A 26 46.946 0.429 27.470 1.00 25.44 H new ATOM 0 HA LEU A 26 44.297 -0.873 27.228 1.00 72.32 H new ATOM 0 HB2 LEU A 26 45.264 1.002 29.413 1.00 22.41 H new ATOM 0 HB3 LEU A 26 43.658 0.314 29.281 1.00 22.41 H new ATOM 0 HG LEU A 26 45.961 -1.584 29.435 1.00 41.12 H new ATOM 0 HD11 LEU A 26 45.976 -1.442 31.894 1.00 22.45 H new ATOM 0 HD12 LEU A 26 46.523 0.075 31.142 1.00 22.45 H new ATOM 0 HD13 LEU A 26 44.880 -0.042 31.816 1.00 22.45 H new ATOM 0 HD21 LEU A 26 44.330 -2.880 30.751 1.00 34.12 H new ATOM 0 HD22 LEU A 26 43.169 -1.537 30.628 1.00 34.12 H new ATOM 0 HD23 LEU A 26 43.675 -2.413 29.164 1.00 34.12 H new ATOM 327 N VAL A 27 43.351 1.118 26.119 1.00 21.12 N ATOM 328 CA VAL A 27 42.809 2.255 25.385 1.00 72.43 C ATOM 329 C VAL A 27 41.313 2.409 25.638 1.00 43.35 C ATOM 330 O VAL A 27 40.560 1.438 25.582 1.00 63.51 O ATOM 331 CB VAL A 27 43.050 2.111 23.870 1.00 1.13 C ATOM 332 CG1 VAL A 27 41.900 2.724 23.086 1.00 43.33 C ATOM 333 CG2 VAL A 27 44.374 2.750 23.479 1.00 10.43 C ATOM 0 H VAL A 27 42.820 0.254 26.011 1.00 21.12 H new ATOM 0 HA VAL A 27 43.329 3.142 25.746 1.00 72.43 H new ATOM 0 HB VAL A 27 43.099 1.050 23.626 1.00 1.13 H new ATOM 0 HG11 VAL A 27 42.088 2.613 22.018 1.00 43.33 H new ATOM 0 HG12 VAL A 27 40.971 2.216 23.346 1.00 43.33 H new ATOM 0 HG13 VAL A 27 41.816 3.783 23.331 1.00 43.33 H new ATOM 0 HG21 VAL A 27 44.529 2.639 22.406 1.00 10.43 H new ATOM 0 HG22 VAL A 27 44.357 3.809 23.736 1.00 10.43 H new ATOM 0 HG23 VAL A 27 45.187 2.260 24.015 1.00 10.43 H new ATOM 343 N ALA A 28 40.890 3.638 25.915 1.00 33.02 N ATOM 344 CA ALA A 28 39.483 3.921 26.174 1.00 24.11 C ATOM 345 C ALA A 28 38.764 4.340 24.897 1.00 75.12 C ATOM 346 O ALA A 28 39.295 5.110 24.097 1.00 52.31 O ATOM 347 CB ALA A 28 39.349 5.002 27.237 1.00 65.35 C ATOM 0 H ALA A 28 41.501 4.453 25.966 1.00 33.02 H new ATOM 0 HA ALA A 28 39.015 3.007 26.540 1.00 24.11 H new ATOM 0 HB1 ALA A 28 38.294 5.203 27.420 1.00 65.35 H new ATOM 0 HB2 ALA A 28 39.820 4.665 28.160 1.00 65.35 H new ATOM 0 HB3 ALA A 28 39.838 5.913 26.893 1.00 65.35 H new ATOM 353 N VAL A 29 37.551 3.827 24.711 1.00 43.13 N ATOM 354 CA VAL A 29 36.758 4.149 23.530 1.00 21.43 C ATOM 355 C VAL A 29 35.404 4.731 23.920 1.00 43.21 C ATOM 356 O VAL A 29 34.788 4.301 24.895 1.00 74.33 O ATOM 357 CB VAL A 29 36.535 2.906 22.648 1.00 22.33 C ATOM 358 CG1 VAL A 29 35.965 3.306 21.296 1.00 22.40 C ATOM 359 CG2 VAL A 29 37.834 2.132 22.481 1.00 62.12 C ATOM 0 H VAL A 29 37.097 3.187 25.363 1.00 43.13 H new ATOM 0 HA VAL A 29 37.320 4.891 22.963 1.00 21.43 H new ATOM 0 HB VAL A 29 35.812 2.256 23.142 1.00 22.33 H new ATOM 0 HG11 VAL A 29 35.814 2.415 20.687 1.00 22.40 H new ATOM 0 HG12 VAL A 29 35.011 3.814 21.439 1.00 22.40 H new ATOM 0 HG13 VAL A 29 36.661 3.977 20.792 1.00 22.40 H new ATOM 0 HG21 VAL A 29 37.658 1.257 21.855 1.00 62.12 H new ATOM 0 HG22 VAL A 29 38.580 2.771 22.010 1.00 62.12 H new ATOM 0 HG23 VAL A 29 38.195 1.812 23.458 1.00 62.12 H new ATOM 369 N LYS A 30 34.946 5.714 23.152 1.00 71.55 N ATOM 370 CA LYS A 30 33.663 6.356 23.414 1.00 64.23 C ATOM 371 C LYS A 30 32.817 6.418 22.146 1.00 31.14 C ATOM 372 O LYS A 30 33.174 7.094 21.182 1.00 63.25 O ATOM 373 CB LYS A 30 33.880 7.767 23.965 1.00 73.10 C ATOM 374 CG LYS A 30 34.880 8.585 23.167 1.00 23.10 C ATOM 375 CD LYS A 30 35.205 9.898 23.859 1.00 2.11 C ATOM 376 CE LYS A 30 36.666 9.960 24.280 1.00 54.03 C ATOM 377 NZ LYS A 30 36.927 11.093 25.210 1.00 44.44 N ATOM 0 H LYS A 30 35.445 6.084 22.343 1.00 71.55 H new ATOM 0 HA LYS A 30 33.131 5.760 24.156 1.00 64.23 H new ATOM 0 HB2 LYS A 30 32.925 8.292 23.982 1.00 73.10 H new ATOM 0 HB3 LYS A 30 34.223 7.696 24.997 1.00 73.10 H new ATOM 0 HG2 LYS A 30 35.795 8.009 23.029 1.00 23.10 H new ATOM 0 HG3 LYS A 30 34.477 8.786 22.174 1.00 23.10 H new ATOM 0 HD2 LYS A 30 34.983 10.728 23.189 1.00 2.11 H new ATOM 0 HD3 LYS A 30 34.567 10.016 24.735 1.00 2.11 H new ATOM 0 HE2 LYS A 30 36.945 9.023 24.762 1.00 54.03 H new ATOM 0 HE3 LYS A 30 37.295 10.064 23.396 1.00 54.03 H new ATOM 0 HZ1 LYS A 30 37.933 11.101 25.474 1.00 44.44 H new ATOM 0 HZ2 LYS A 30 36.685 11.989 24.742 1.00 44.44 H new ATOM 0 HZ3 LYS A 30 36.346 10.981 26.065 1.00 44.44 H new ATOM 391 N VAL A 31 31.692 5.710 22.156 1.00 21.51 N ATOM 392 CA VAL A 31 30.793 5.686 21.008 1.00 2.44 C ATOM 393 C VAL A 31 29.577 6.575 21.245 1.00 70.21 C ATOM 394 O VAL A 31 28.813 6.362 22.187 1.00 41.23 O ATOM 395 CB VAL A 31 30.317 4.255 20.697 1.00 10.11 C ATOM 396 CG1 VAL A 31 29.688 3.622 21.929 1.00 74.14 C ATOM 397 CG2 VAL A 31 29.339 4.261 19.532 1.00 63.02 C ATOM 0 H VAL A 31 31.381 5.145 22.947 1.00 21.51 H new ATOM 0 HA VAL A 31 31.357 6.065 20.156 1.00 2.44 H new ATOM 0 HB VAL A 31 31.182 3.656 20.412 1.00 10.11 H new ATOM 0 HG11 VAL A 31 29.358 2.611 21.690 1.00 74.14 H new ATOM 0 HG12 VAL A 31 30.423 3.583 22.733 1.00 74.14 H new ATOM 0 HG13 VAL A 31 28.832 4.218 22.247 1.00 74.14 H new ATOM 0 HG21 VAL A 31 29.013 3.242 19.326 1.00 63.02 H new ATOM 0 HG22 VAL A 31 28.474 4.874 19.786 1.00 63.02 H new ATOM 0 HG23 VAL A 31 29.828 4.671 18.648 1.00 63.02 H new ATOM 407 N VAL A 32 29.402 7.572 20.383 1.00 25.41 N ATOM 408 CA VAL A 32 28.278 8.492 20.497 1.00 53.43 C ATOM 409 C VAL A 32 27.355 8.384 19.288 1.00 11.40 C ATOM 410 O VAL A 32 27.765 7.934 18.219 1.00 23.14 O ATOM 411 CB VAL A 32 28.757 9.950 20.634 1.00 20.33 C ATOM 412 CG1 VAL A 32 29.566 10.128 21.910 1.00 33.22 C ATOM 413 CG2 VAL A 32 29.571 10.360 19.416 1.00 34.20 C ATOM 0 H VAL A 32 30.025 7.763 19.598 1.00 25.41 H new ATOM 0 HA VAL A 32 27.730 8.211 21.396 1.00 53.43 H new ATOM 0 HB VAL A 32 27.882 10.598 20.693 1.00 20.33 H new ATOM 0 HG11 VAL A 32 29.896 11.164 21.990 1.00 33.22 H new ATOM 0 HG12 VAL A 32 28.947 9.877 22.771 1.00 33.22 H new ATOM 0 HG13 VAL A 32 30.435 9.471 21.884 1.00 33.22 H new ATOM 0 HG21 VAL A 32 29.901 11.393 19.530 1.00 34.20 H new ATOM 0 HG22 VAL A 32 30.440 9.709 19.324 1.00 34.20 H new ATOM 0 HG23 VAL A 32 28.955 10.272 18.521 1.00 34.20 H new ATOM 423 N ASN A 33 26.105 8.802 19.465 1.00 25.32 N ATOM 424 CA ASN A 33 25.123 8.752 18.388 1.00 21.14 C ATOM 425 C ASN A 33 24.390 10.084 18.259 1.00 31.40 C ATOM 426 O ASN A 33 24.260 10.829 19.229 1.00 4.34 O ATOM 427 CB ASN A 33 24.118 7.626 18.639 1.00 60.24 C ATOM 428 CG ASN A 33 24.731 6.252 18.449 1.00 34.51 C ATOM 429 OD1 ASN A 33 25.948 6.086 18.529 1.00 71.11 O ATOM 430 ND2 ASN A 33 23.887 5.258 18.196 1.00 31.32 N ATOM 0 H ASN A 33 25.749 9.179 20.343 1.00 25.32 H new ATOM 0 HA ASN A 33 25.652 8.557 17.455 1.00 21.14 H new ATOM 0 HB2 ASN A 33 23.728 7.710 19.653 1.00 60.24 H new ATOM 0 HB3 ASN A 33 23.272 7.740 17.962 1.00 60.24 H new ATOM 0 HD21 ASN A 33 24.241 4.311 18.059 1.00 31.32 H new ATOM 0 HD22 ASN A 33 22.885 5.442 18.139 1.00 31.32 H new ATOM 437 N ALA A 34 23.912 10.375 17.054 1.00 74.22 N ATOM 438 CA ALA A 34 23.189 11.615 16.798 1.00 62.43 C ATOM 439 C ALA A 34 21.915 11.690 17.632 1.00 30.10 C ATOM 440 O ALA A 34 21.413 12.777 17.920 1.00 64.23 O ATOM 441 CB ALA A 34 22.861 11.738 15.317 1.00 10.11 C ATOM 0 H ALA A 34 24.012 9.769 16.240 1.00 74.22 H new ATOM 0 HA ALA A 34 23.831 12.447 17.087 1.00 62.43 H new ATOM 0 HB1 ALA A 34 22.321 12.668 15.140 1.00 10.11 H new ATOM 0 HB2 ALA A 34 23.785 11.739 14.739 1.00 10.11 H new ATOM 0 HB3 ALA A 34 22.242 10.895 15.010 1.00 10.11 H new ATOM 447 N ASP A 35 21.396 10.529 18.017 1.00 41.21 N ATOM 448 CA ASP A 35 20.180 10.464 18.819 1.00 71.31 C ATOM 449 C ASP A 35 20.471 10.808 20.276 1.00 12.03 C ATOM 450 O ASP A 35 19.588 11.253 21.008 1.00 55.22 O ATOM 451 CB ASP A 35 19.556 9.070 18.726 1.00 45.22 C ATOM 452 CG ASP A 35 18.149 9.102 18.164 1.00 14.12 C ATOM 453 OD1 ASP A 35 17.906 9.877 17.215 1.00 74.42 O ATOM 454 OD2 ASP A 35 17.290 8.352 18.673 1.00 1.14 O ATOM 0 H ASP A 35 21.798 9.620 17.787 1.00 41.21 H new ATOM 0 HA ASP A 35 19.475 11.196 18.425 1.00 71.31 H new ATOM 0 HB2 ASP A 35 20.181 8.437 18.097 1.00 45.22 H new ATOM 0 HB3 ASP A 35 19.538 8.616 19.717 1.00 45.22 H new ATOM 459 N GLY A 36 21.716 10.597 20.692 1.00 43.52 N ATOM 460 CA GLY A 36 22.101 10.890 22.060 1.00 21.32 C ATOM 461 C GLY A 36 22.737 9.699 22.751 1.00 54.24 C ATOM 462 O GLY A 36 23.680 9.853 23.526 1.00 51.44 O ATOM 0 H GLY A 36 22.465 10.228 20.106 1.00 43.52 H new ATOM 0 HA2 GLY A 36 22.800 11.726 22.066 1.00 21.32 H new ATOM 0 HA3 GLY A 36 21.222 11.206 22.622 1.00 21.32 H new ATOM 466 N ALA A 37 22.218 8.508 22.470 1.00 13.22 N ATOM 467 CA ALA A 37 22.741 7.287 23.070 1.00 73.24 C ATOM 468 C ALA A 37 24.251 7.187 22.884 1.00 0.42 C ATOM 469 O ALA A 37 24.748 7.190 21.759 1.00 43.33 O ATOM 470 CB ALA A 37 22.052 6.069 22.472 1.00 63.22 C ATOM 0 H ALA A 37 21.436 8.363 21.831 1.00 13.22 H new ATOM 0 HA ALA A 37 22.535 7.320 24.140 1.00 73.24 H new ATOM 0 HB1 ALA A 37 22.452 5.164 22.929 1.00 63.22 H new ATOM 0 HB2 ALA A 37 20.980 6.128 22.661 1.00 63.22 H new ATOM 0 HB3 ALA A 37 22.230 6.042 21.397 1.00 63.22 H new ATOM 476 N GLU A 38 24.975 7.100 23.996 1.00 52.31 N ATOM 477 CA GLU A 38 26.429 7.002 23.954 1.00 20.31 C ATOM 478 C GLU A 38 26.959 6.253 25.174 1.00 72.14 C ATOM 479 O GLU A 38 26.303 6.196 26.213 1.00 32.22 O ATOM 480 CB GLU A 38 27.055 8.396 23.887 1.00 42.25 C ATOM 481 CG GLU A 38 26.975 9.164 25.195 1.00 32.45 C ATOM 482 CD GLU A 38 27.488 10.585 25.071 1.00 62.02 C ATOM 483 OE1 GLU A 38 28.723 10.773 25.089 1.00 32.11 O ATOM 484 OE2 GLU A 38 26.656 11.509 24.955 1.00 22.14 O ATOM 0 H GLU A 38 24.578 7.095 24.936 1.00 52.31 H new ATOM 0 HA GLU A 38 26.704 6.445 23.058 1.00 20.31 H new ATOM 0 HB2 GLU A 38 28.101 8.301 23.595 1.00 42.25 H new ATOM 0 HB3 GLU A 38 26.557 8.971 23.107 1.00 42.25 H new ATOM 0 HG2 GLU A 38 25.940 9.184 25.537 1.00 32.45 H new ATOM 0 HG3 GLU A 38 27.552 8.639 25.956 1.00 32.45 H new ATOM 491 N MET A 39 28.150 5.680 25.037 1.00 21.32 N ATOM 492 CA MET A 39 28.769 4.935 26.128 1.00 73.34 C ATOM 493 C MET A 39 30.270 4.785 25.901 1.00 53.01 C ATOM 494 O MET A 39 30.733 4.731 24.761 1.00 30.25 O ATOM 495 CB MET A 39 28.121 3.555 26.263 1.00 44.11 C ATOM 496 CG MET A 39 28.560 2.570 25.191 1.00 3.34 C ATOM 497 SD MET A 39 29.712 1.332 25.816 1.00 20.33 S ATOM 498 CE MET A 39 28.716 -0.152 25.688 1.00 3.45 C ATOM 0 H MET A 39 28.706 5.717 24.182 1.00 21.32 H new ATOM 0 HA MET A 39 28.613 5.494 27.051 1.00 73.34 H new ATOM 0 HB2 MET A 39 28.362 3.144 27.243 1.00 44.11 H new ATOM 0 HB3 MET A 39 27.037 3.666 26.221 1.00 44.11 H new ATOM 0 HG2 MET A 39 27.682 2.070 24.781 1.00 3.34 H new ATOM 0 HG3 MET A 39 29.028 3.115 24.372 1.00 3.34 H new ATOM 0 HE1 MET A 39 29.292 -1.008 26.039 1.00 3.45 H new ATOM 0 HE2 MET A 39 27.820 -0.043 26.299 1.00 3.45 H new ATOM 0 HE3 MET A 39 28.429 -0.309 24.648 1.00 3.45 H new ATOM 508 N PHE A 40 31.025 4.719 26.992 1.00 12.14 N ATOM 509 CA PHE A 40 32.474 4.577 26.912 1.00 31.11 C ATOM 510 C PHE A 40 32.954 3.409 27.768 1.00 21.24 C ATOM 511 O PHE A 40 32.307 3.034 28.747 1.00 40.34 O ATOM 512 CB PHE A 40 33.160 5.869 27.361 1.00 70.11 C ATOM 513 CG PHE A 40 32.999 6.155 28.826 1.00 13.44 C ATOM 514 CD1 PHE A 40 31.856 6.779 29.303 1.00 65.55 C ATOM 515 CD2 PHE A 40 33.990 5.802 29.728 1.00 72.00 C ATOM 516 CE1 PHE A 40 31.705 7.043 30.651 1.00 52.34 C ATOM 517 CE2 PHE A 40 33.843 6.064 31.077 1.00 25.21 C ATOM 518 CZ PHE A 40 32.700 6.686 31.539 1.00 42.31 C ATOM 0 H PHE A 40 30.657 4.762 27.943 1.00 12.14 H new ATOM 0 HA PHE A 40 32.738 4.376 25.874 1.00 31.11 H new ATOM 0 HB2 PHE A 40 34.223 5.808 27.126 1.00 70.11 H new ATOM 0 HB3 PHE A 40 32.755 6.704 26.789 1.00 70.11 H new ATOM 0 HD1 PHE A 40 31.075 7.062 28.613 1.00 65.55 H new ATOM 0 HD2 PHE A 40 34.887 5.317 29.373 1.00 72.00 H new ATOM 0 HE1 PHE A 40 30.809 7.528 31.010 1.00 52.34 H new ATOM 0 HE2 PHE A 40 34.622 5.782 31.770 1.00 25.21 H new ATOM 0 HZ PHE A 40 32.585 6.893 32.593 1.00 42.31 H new ATOM 528 N PHE A 41 34.093 2.837 27.393 1.00 62.32 N ATOM 529 CA PHE A 41 34.660 1.710 28.124 1.00 4.05 C ATOM 530 C PHE A 41 36.152 1.571 27.837 1.00 65.51 C ATOM 531 O PHE A 41 36.611 1.850 26.729 1.00 12.51 O ATOM 532 CB PHE A 41 33.935 0.415 27.752 1.00 14.53 C ATOM 533 CG PHE A 41 33.321 -0.287 28.929 1.00 31.43 C ATOM 534 CD1 PHE A 41 34.088 -1.109 29.740 1.00 40.52 C ATOM 535 CD2 PHE A 41 31.977 -0.127 29.225 1.00 73.21 C ATOM 536 CE1 PHE A 41 33.527 -1.757 30.824 1.00 54.50 C ATOM 537 CE2 PHE A 41 31.410 -0.772 30.308 1.00 71.21 C ATOM 538 CZ PHE A 41 32.185 -1.589 31.108 1.00 44.24 C ATOM 0 H PHE A 41 34.642 3.136 26.587 1.00 62.32 H new ATOM 0 HA PHE A 41 34.528 1.898 29.190 1.00 4.05 H new ATOM 0 HB2 PHE A 41 33.154 0.641 27.026 1.00 14.53 H new ATOM 0 HB3 PHE A 41 34.639 -0.259 27.264 1.00 14.53 H new ATOM 0 HD1 PHE A 41 35.137 -1.245 29.522 1.00 40.52 H new ATOM 0 HD2 PHE A 41 31.365 0.509 28.602 1.00 73.21 H new ATOM 0 HE1 PHE A 41 34.136 -2.394 31.448 1.00 54.50 H new ATOM 0 HE2 PHE A 41 30.361 -0.637 30.529 1.00 71.21 H new ATOM 0 HZ PHE A 41 31.743 -2.095 31.953 1.00 44.24 H new ATOM 548 N ARG A 42 36.905 1.136 28.843 1.00 52.42 N ATOM 549 CA ARG A 42 38.345 0.961 28.699 1.00 0.25 C ATOM 550 C ARG A 42 38.689 -0.496 28.405 1.00 52.12 C ATOM 551 O ARG A 42 38.270 -1.401 29.127 1.00 55.11 O ATOM 552 CB ARG A 42 39.065 1.420 29.969 1.00 32.41 C ATOM 553 CG ARG A 42 40.526 1.775 29.746 1.00 13.14 C ATOM 554 CD ARG A 42 40.984 2.868 30.699 1.00 44.22 C ATOM 555 NE ARG A 42 41.749 3.907 30.013 1.00 74.31 N ATOM 556 CZ ARG A 42 42.312 4.937 30.635 1.00 74.33 C ATOM 557 NH1 ARG A 42 42.197 5.065 31.949 1.00 30.13 N ATOM 558 NH2 ARG A 42 42.991 5.841 29.941 1.00 25.12 N ATOM 0 H ARG A 42 36.541 0.899 29.766 1.00 52.42 H new ATOM 0 HA ARG A 42 38.678 1.571 27.859 1.00 0.25 H new ATOM 0 HB2 ARG A 42 38.547 2.288 30.377 1.00 32.41 H new ATOM 0 HB3 ARG A 42 39.002 0.630 30.718 1.00 32.41 H new ATOM 0 HG2 ARG A 42 41.143 0.887 29.885 1.00 13.14 H new ATOM 0 HG3 ARG A 42 40.669 2.104 28.717 1.00 13.14 H new ATOM 0 HD2 ARG A 42 40.115 3.316 31.181 1.00 44.22 H new ATOM 0 HD3 ARG A 42 41.595 2.429 31.488 1.00 44.22 H new ATOM 0 HE ARG A 42 41.857 3.838 29.001 1.00 74.31 H new ATOM 0 HH11 ARG A 42 41.675 4.372 32.485 1.00 30.13 H new ATOM 0 HH12 ARG A 42 42.630 5.857 32.424 1.00 30.13 H new ATOM 0 HH21 ARG A 42 43.081 5.745 28.929 1.00 25.12 H new ATOM 0 HH22 ARG A 42 43.423 6.632 30.419 1.00 25.12 H new ATOM 572 N ILE A 43 39.453 -0.714 27.340 1.00 23.42 N ATOM 573 CA ILE A 43 39.853 -2.061 26.951 1.00 4.10 C ATOM 574 C ILE A 43 41.070 -2.029 26.033 1.00 42.14 C ATOM 575 O ILE A 43 41.374 -1.004 25.421 1.00 22.33 O ATOM 576 CB ILE A 43 38.708 -2.805 26.241 1.00 75.53 C ATOM 577 CG1 ILE A 43 38.985 -4.310 26.218 1.00 74.10 C ATOM 578 CG2 ILE A 43 38.526 -2.273 24.827 1.00 22.40 C ATOM 579 CD1 ILE A 43 37.750 -5.155 26.440 1.00 70.30 C ATOM 0 H ILE A 43 39.807 0.024 26.731 1.00 23.42 H new ATOM 0 HA ILE A 43 40.107 -2.592 27.868 1.00 4.10 H new ATOM 0 HB ILE A 43 37.785 -2.633 26.795 1.00 75.53 H new ATOM 0 HG12 ILE A 43 39.429 -4.575 25.258 1.00 74.10 H new ATOM 0 HG13 ILE A 43 39.721 -4.548 26.986 1.00 74.10 H new ATOM 0 HG21 ILE A 43 37.713 -2.809 24.338 1.00 22.40 H new ATOM 0 HG22 ILE A 43 38.288 -1.210 24.866 1.00 22.40 H new ATOM 0 HG23 ILE A 43 39.447 -2.418 24.262 1.00 22.40 H new ATOM 0 HD11 ILE A 43 38.021 -6.210 26.411 1.00 70.30 H new ATOM 0 HD12 ILE A 43 37.317 -4.918 27.412 1.00 70.30 H new ATOM 0 HD13 ILE A 43 37.021 -4.946 25.657 1.00 70.30 H new ATOM 591 N LYS A 44 41.763 -3.159 25.938 1.00 2.34 N ATOM 592 CA LYS A 44 42.946 -3.263 25.092 1.00 10.00 C ATOM 593 C LYS A 44 42.630 -2.842 23.661 1.00 55.05 C ATOM 594 O LYS A 44 41.621 -3.257 23.090 1.00 12.00 O ATOM 595 CB LYS A 44 43.484 -4.696 25.106 1.00 10.45 C ATOM 596 CG LYS A 44 44.191 -5.067 26.399 1.00 52.24 C ATOM 597 CD LYS A 44 45.642 -5.444 26.152 1.00 72.43 C ATOM 598 CE LYS A 44 45.828 -6.954 26.122 1.00 53.32 C ATOM 599 NZ LYS A 44 46.697 -7.428 27.234 1.00 44.32 N ATOM 0 H LYS A 44 41.525 -4.016 26.437 1.00 2.34 H new ATOM 0 HA LYS A 44 43.707 -2.592 25.490 1.00 10.00 H new ATOM 0 HB2 LYS A 44 42.657 -5.387 24.942 1.00 10.45 H new ATOM 0 HB3 LYS A 44 44.176 -4.824 24.274 1.00 10.45 H new ATOM 0 HG2 LYS A 44 44.145 -4.228 27.094 1.00 52.24 H new ATOM 0 HG3 LYS A 44 43.673 -5.901 26.872 1.00 52.24 H new ATOM 0 HD2 LYS A 44 45.974 -5.016 25.206 1.00 72.43 H new ATOM 0 HD3 LYS A 44 46.269 -5.014 26.933 1.00 72.43 H new ATOM 0 HE2 LYS A 44 44.855 -7.441 26.188 1.00 53.32 H new ATOM 0 HE3 LYS A 44 46.267 -7.247 25.168 1.00 53.32 H new ATOM 0 HZ1 LYS A 44 46.799 -8.461 27.179 1.00 44.32 H new ATOM 0 HZ2 LYS A 44 47.634 -6.983 27.156 1.00 44.32 H new ATOM 0 HZ3 LYS A 44 46.266 -7.171 28.145 1.00 44.32 H new ATOM 613 N SER A 45 43.498 -2.017 23.085 1.00 5.13 N ATOM 614 CA SER A 45 43.310 -1.538 21.721 1.00 70.22 C ATOM 615 C SER A 45 43.097 -2.704 20.761 1.00 74.44 C ATOM 616 O SER A 45 42.426 -2.566 19.738 1.00 51.44 O ATOM 617 CB SER A 45 44.518 -0.711 21.276 1.00 21.35 C ATOM 618 OG SER A 45 44.282 0.674 21.456 1.00 12.35 O ATOM 0 H SER A 45 44.339 -1.666 23.542 1.00 5.13 H new ATOM 0 HA SER A 45 42.421 -0.907 21.703 1.00 70.22 H new ATOM 0 HB2 SER A 45 45.397 -1.010 21.846 1.00 21.35 H new ATOM 0 HB3 SER A 45 44.734 -0.913 20.227 1.00 21.35 H new ATOM 0 HG SER A 45 44.899 1.187 20.894 1.00 12.35 H new ATOM 624 N ARG A 46 43.672 -3.854 21.098 1.00 3.43 N ATOM 625 CA ARG A 46 43.547 -5.044 20.266 1.00 31.35 C ATOM 626 C ARG A 46 42.083 -5.331 19.944 1.00 2.04 C ATOM 627 O ARG A 46 41.748 -5.730 18.829 1.00 73.13 O ATOM 628 CB ARG A 46 44.171 -6.251 20.969 1.00 65.30 C ATOM 629 CG ARG A 46 45.158 -7.017 20.102 1.00 34.34 C ATOM 630 CD ARG A 46 46.312 -6.133 19.658 1.00 61.24 C ATOM 631 NE ARG A 46 47.476 -6.916 19.251 1.00 30.20 N ATOM 632 CZ ARG A 46 47.576 -7.529 18.077 1.00 53.13 C ATOM 633 NH1 ARG A 46 46.586 -7.449 17.198 1.00 65.35 N ATOM 634 NH2 ARG A 46 48.667 -8.223 17.780 1.00 41.25 N ATOM 0 H ARG A 46 44.229 -3.986 21.942 1.00 3.43 H new ATOM 0 HA ARG A 46 44.078 -4.861 19.332 1.00 31.35 H new ATOM 0 HB2 ARG A 46 44.680 -5.912 21.872 1.00 65.30 H new ATOM 0 HB3 ARG A 46 43.377 -6.927 21.285 1.00 65.30 H new ATOM 0 HG2 ARG A 46 45.545 -7.871 20.658 1.00 34.34 H new ATOM 0 HG3 ARG A 46 44.644 -7.413 19.226 1.00 34.34 H new ATOM 0 HD2 ARG A 46 45.989 -5.505 18.828 1.00 61.24 H new ATOM 0 HD3 ARG A 46 46.591 -5.465 20.473 1.00 61.24 H new ATOM 0 HE ARG A 46 48.255 -6.996 19.904 1.00 30.20 H new ATOM 0 HH11 ARG A 46 45.746 -6.916 17.423 1.00 65.35 H new ATOM 0 HH12 ARG A 46 46.665 -7.920 16.297 1.00 65.35 H new ATOM 0 HH21 ARG A 46 49.430 -8.286 18.454 1.00 41.25 H new ATOM 0 HH22 ARG A 46 48.742 -8.693 16.878 1.00 41.25 H new ATOM 648 N THR A 47 41.214 -5.125 20.930 1.00 65.34 N ATOM 649 CA THR A 47 39.788 -5.363 20.752 1.00 15.14 C ATOM 650 C THR A 47 38.960 -4.313 21.485 1.00 41.22 C ATOM 651 O THR A 47 39.060 -4.169 22.703 1.00 72.31 O ATOM 652 CB THR A 47 39.384 -6.761 21.257 1.00 60.35 C ATOM 653 OG1 THR A 47 40.140 -7.766 20.571 1.00 32.12 O ATOM 654 CG2 THR A 47 37.897 -7.005 21.044 1.00 5.14 C ATOM 0 H THR A 47 41.474 -4.794 21.859 1.00 65.34 H new ATOM 0 HA THR A 47 39.588 -5.299 19.682 1.00 15.14 H new ATOM 0 HB THR A 47 39.595 -6.813 22.325 1.00 60.35 H new ATOM 0 HG1 THR A 47 39.879 -8.652 20.898 1.00 32.12 H new ATOM 0 HG21 THR A 47 37.635 -7.998 21.408 1.00 5.14 H new ATOM 0 HG22 THR A 47 37.324 -6.256 21.590 1.00 5.14 H new ATOM 0 HG23 THR A 47 37.666 -6.936 19.981 1.00 5.14 H new ATOM 662 N ALA A 48 38.143 -3.581 20.735 1.00 72.25 N ATOM 663 CA ALA A 48 37.296 -2.546 21.314 1.00 51.24 C ATOM 664 C ALA A 48 36.123 -2.219 20.395 1.00 1.34 C ATOM 665 O ALA A 48 34.971 -2.517 20.713 1.00 51.22 O ATOM 666 CB ALA A 48 38.112 -1.293 21.597 1.00 62.50 C ATOM 0 H ALA A 48 38.050 -3.686 19.725 1.00 72.25 H new ATOM 0 HA ALA A 48 36.894 -2.924 22.254 1.00 51.24 H new ATOM 0 HB1 ALA A 48 37.467 -0.528 22.029 1.00 62.50 H new ATOM 0 HB2 ALA A 48 38.912 -1.531 22.298 1.00 62.50 H new ATOM 0 HB3 ALA A 48 38.542 -0.921 20.667 1.00 62.50 H new ATOM 672 N LEU A 49 36.423 -1.604 19.257 1.00 41.22 N ATOM 673 CA LEU A 49 35.393 -1.235 18.292 1.00 70.22 C ATOM 674 C LEU A 49 34.640 -2.468 17.802 1.00 51.23 C ATOM 675 O LEU A 49 33.512 -2.368 17.318 1.00 62.33 O ATOM 676 CB LEU A 49 36.018 -0.500 17.105 1.00 52.11 C ATOM 677 CG LEU A 49 35.475 0.902 16.822 1.00 22.55 C ATOM 678 CD1 LEU A 49 33.955 0.888 16.784 1.00 30.43 C ATOM 679 CD2 LEU A 49 35.975 1.888 17.868 1.00 64.21 C ATOM 0 H LEU A 49 37.371 -1.350 18.979 1.00 41.22 H new ATOM 0 HA LEU A 49 34.684 -0.573 18.789 1.00 70.22 H new ATOM 0 HB2 LEU A 49 37.092 -0.424 17.275 1.00 52.11 H new ATOM 0 HB3 LEU A 49 35.879 -1.109 16.212 1.00 52.11 H new ATOM 0 HG LEU A 49 35.839 1.222 15.846 1.00 22.55 H new ATOM 0 HD11 LEU A 49 33.587 1.894 16.582 1.00 30.43 H new ATOM 0 HD12 LEU A 49 33.617 0.213 15.998 1.00 30.43 H new ATOM 0 HD13 LEU A 49 33.570 0.547 17.745 1.00 30.43 H new ATOM 0 HD21 LEU A 49 35.579 2.880 17.651 1.00 64.21 H new ATOM 0 HD22 LEU A 49 35.640 1.571 18.856 1.00 64.21 H new ATOM 0 HD23 LEU A 49 37.064 1.919 17.847 1.00 64.21 H new ATOM 691 N LYS A 50 35.270 -3.630 17.932 1.00 31.43 N ATOM 692 CA LYS A 50 34.659 -4.884 17.506 1.00 23.14 C ATOM 693 C LYS A 50 33.447 -5.220 18.370 1.00 42.34 C ATOM 694 O LYS A 50 32.338 -5.388 17.862 1.00 21.23 O ATOM 695 CB LYS A 50 35.680 -6.022 17.577 1.00 31.22 C ATOM 696 CG LYS A 50 36.808 -5.891 16.569 1.00 4.41 C ATOM 697 CD LYS A 50 36.417 -6.462 15.217 1.00 64.14 C ATOM 698 CE LYS A 50 36.728 -7.949 15.129 1.00 54.41 C ATOM 699 NZ LYS A 50 36.313 -8.525 13.820 1.00 62.40 N ATOM 0 H LYS A 50 36.204 -3.730 18.329 1.00 31.43 H new ATOM 0 HA LYS A 50 34.326 -4.765 16.475 1.00 23.14 H new ATOM 0 HB2 LYS A 50 36.103 -6.057 18.581 1.00 31.22 H new ATOM 0 HB3 LYS A 50 35.167 -6.970 17.414 1.00 31.22 H new ATOM 0 HG2 LYS A 50 37.077 -4.841 16.457 1.00 4.41 H new ATOM 0 HG3 LYS A 50 37.692 -6.409 16.942 1.00 4.41 H new ATOM 0 HD2 LYS A 50 35.352 -6.301 15.047 1.00 64.14 H new ATOM 0 HD3 LYS A 50 36.950 -5.930 14.428 1.00 64.14 H new ATOM 0 HE2 LYS A 50 37.797 -8.106 15.272 1.00 54.41 H new ATOM 0 HE3 LYS A 50 36.218 -8.475 15.936 1.00 54.41 H new ATOM 0 HZ1 LYS A 50 36.542 -9.539 13.799 1.00 62.40 H new ATOM 0 HZ2 LYS A 50 35.288 -8.398 13.694 1.00 62.40 H new ATOM 0 HZ3 LYS A 50 36.819 -8.040 13.051 1.00 62.40 H new ATOM 713 N LYS A 51 33.665 -5.314 19.677 1.00 64.12 N ATOM 714 CA LYS A 51 32.591 -5.627 20.612 1.00 41.32 C ATOM 715 C LYS A 51 31.635 -4.447 20.756 1.00 73.24 C ATOM 716 O LYS A 51 30.450 -4.626 21.043 1.00 24.51 O ATOM 717 CB LYS A 51 33.169 -5.998 21.979 1.00 2.13 C ATOM 718 CG LYS A 51 32.694 -7.345 22.495 1.00 13.13 C ATOM 719 CD LYS A 51 32.017 -7.216 23.850 1.00 64.12 C ATOM 720 CE LYS A 51 32.056 -8.528 24.619 1.00 1.42 C ATOM 721 NZ LYS A 51 30.690 -9.061 24.875 1.00 74.44 N ATOM 0 H LYS A 51 34.577 -5.178 20.113 1.00 64.12 H new ATOM 0 HA LYS A 51 32.035 -6.477 20.217 1.00 41.32 H new ATOM 0 HB2 LYS A 51 34.257 -6.006 21.914 1.00 2.13 H new ATOM 0 HB3 LYS A 51 32.899 -5.226 22.700 1.00 2.13 H new ATOM 0 HG2 LYS A 51 31.999 -7.785 21.780 1.00 13.13 H new ATOM 0 HG3 LYS A 51 33.542 -8.025 22.574 1.00 13.13 H new ATOM 0 HD2 LYS A 51 32.510 -6.437 24.432 1.00 64.12 H new ATOM 0 HD3 LYS A 51 30.982 -6.904 23.713 1.00 64.12 H new ATOM 0 HE2 LYS A 51 32.633 -9.262 24.056 1.00 1.42 H new ATOM 0 HE3 LYS A 51 32.571 -8.378 25.568 1.00 1.42 H new ATOM 0 HZ1 LYS A 51 30.759 -9.955 25.401 1.00 74.44 H new ATOM 0 HZ2 LYS A 51 30.148 -8.372 25.434 1.00 74.44 H new ATOM 0 HZ3 LYS A 51 30.207 -9.229 23.969 1.00 74.44 H new ATOM 735 N LEU A 52 32.155 -3.242 20.553 1.00 53.33 N ATOM 736 CA LEU A 52 31.346 -2.032 20.658 1.00 22.02 C ATOM 737 C LEU A 52 30.286 -1.988 19.562 1.00 30.44 C ATOM 738 O LEU A 52 29.097 -1.833 19.842 1.00 52.43 O ATOM 739 CB LEU A 52 32.236 -0.791 20.572 1.00 2.12 C ATOM 740 CG LEU A 52 32.407 0.004 21.867 1.00 32.34 C ATOM 741 CD1 LEU A 52 33.376 -0.702 22.803 1.00 44.33 C ATOM 742 CD2 LEU A 52 32.885 1.417 21.567 1.00 22.20 C ATOM 0 H LEU A 52 33.133 -3.076 20.315 1.00 53.33 H new ATOM 0 HA LEU A 52 30.842 -2.045 21.625 1.00 22.02 H new ATOM 0 HB2 LEU A 52 33.222 -1.099 20.226 1.00 2.12 H new ATOM 0 HB3 LEU A 52 31.825 -0.126 19.813 1.00 2.12 H new ATOM 0 HG LEU A 52 31.438 0.068 22.362 1.00 32.34 H new ATOM 0 HD11 LEU A 52 33.485 -0.122 23.719 1.00 44.33 H new ATOM 0 HD12 LEU A 52 32.992 -1.693 23.045 1.00 44.33 H new ATOM 0 HD13 LEU A 52 34.347 -0.798 22.317 1.00 44.33 H new ATOM 0 HD21 LEU A 52 33.001 1.968 22.500 1.00 22.20 H new ATOM 0 HD22 LEU A 52 33.843 1.375 21.049 1.00 22.20 H new ATOM 0 HD23 LEU A 52 32.154 1.922 20.936 1.00 22.20 H new ATOM 754 N ILE A 53 30.725 -2.129 18.316 1.00 14.01 N ATOM 755 CA ILE A 53 29.813 -2.109 17.179 1.00 12.11 C ATOM 756 C ILE A 53 28.977 -3.383 17.122 1.00 14.24 C ATOM 757 O ILE A 53 27.828 -3.365 16.679 1.00 1.53 O ATOM 758 CB ILE A 53 30.574 -1.948 15.850 1.00 71.42 C ATOM 759 CG1 ILE A 53 29.594 -1.689 14.704 1.00 72.01 C ATOM 760 CG2 ILE A 53 31.413 -3.186 15.567 1.00 54.20 C ATOM 761 CD1 ILE A 53 30.260 -1.195 13.439 1.00 63.42 C ATOM 0 H ILE A 53 31.706 -2.258 18.068 1.00 14.01 H new ATOM 0 HA ILE A 53 29.155 -1.251 17.318 1.00 12.11 H new ATOM 0 HB ILE A 53 31.242 -1.091 15.932 1.00 71.42 H new ATOM 0 HG12 ILE A 53 29.053 -2.609 14.484 1.00 72.01 H new ATOM 0 HG13 ILE A 53 28.856 -0.955 15.027 1.00 72.01 H new ATOM 0 HG21 ILE A 53 31.945 -3.057 14.624 1.00 54.20 H new ATOM 0 HG22 ILE A 53 32.132 -3.330 16.373 1.00 54.20 H new ATOM 0 HG23 ILE A 53 30.763 -4.059 15.501 1.00 54.20 H new ATOM 0 HD11 ILE A 53 29.505 -1.033 12.670 1.00 63.42 H new ATOM 0 HD12 ILE A 53 30.778 -0.258 13.643 1.00 63.42 H new ATOM 0 HD13 ILE A 53 30.978 -1.938 13.092 1.00 63.42 H new ATOM 773 N ASP A 54 29.560 -4.487 17.576 1.00 74.14 N ATOM 774 CA ASP A 54 28.867 -5.771 17.580 1.00 44.34 C ATOM 775 C ASP A 54 27.772 -5.794 18.641 1.00 52.11 C ATOM 776 O ASP A 54 26.675 -6.302 18.406 1.00 52.00 O ATOM 777 CB ASP A 54 29.859 -6.908 17.828 1.00 62.33 C ATOM 778 CG ASP A 54 30.672 -7.247 16.594 1.00 60.14 C ATOM 779 OD1 ASP A 54 30.940 -6.330 15.790 1.00 54.02 O ATOM 780 OD2 ASP A 54 31.040 -8.430 16.431 1.00 12.32 O ATOM 0 H ASP A 54 30.510 -4.519 17.946 1.00 74.14 H new ATOM 0 HA ASP A 54 28.404 -5.910 16.603 1.00 44.34 H new ATOM 0 HB2 ASP A 54 30.533 -6.628 18.638 1.00 62.33 H new ATOM 0 HB3 ASP A 54 29.316 -7.794 18.157 1.00 62.33 H new ATOM 785 N THR A 55 28.076 -5.241 19.811 1.00 24.31 N ATOM 786 CA THR A 55 27.119 -5.200 20.909 1.00 22.43 C ATOM 787 C THR A 55 26.017 -4.182 20.641 1.00 43.13 C ATOM 788 O THR A 55 24.849 -4.422 20.946 1.00 51.02 O ATOM 789 CB THR A 55 27.808 -4.854 22.243 1.00 65.53 C ATOM 790 OG1 THR A 55 28.767 -5.865 22.575 1.00 2.22 O ATOM 791 CG2 THR A 55 26.787 -4.729 23.363 1.00 3.02 C ATOM 0 H THR A 55 28.978 -4.815 20.022 1.00 24.31 H new ATOM 0 HA THR A 55 26.681 -6.195 20.982 1.00 22.43 H new ATOM 0 HB THR A 55 28.315 -3.896 22.127 1.00 65.53 H new ATOM 0 HG1 THR A 55 29.644 -5.614 22.217 1.00 2.22 H new ATOM 0 HG21 THR A 55 27.297 -4.484 24.295 1.00 3.02 H new ATOM 0 HG22 THR A 55 26.076 -3.939 23.121 1.00 3.02 H new ATOM 0 HG23 THR A 55 26.255 -5.674 23.478 1.00 3.02 H new ATOM 799 N TYR A 56 26.396 -3.045 20.068 1.00 41.03 N ATOM 800 CA TYR A 56 25.439 -1.989 19.759 1.00 5.35 C ATOM 801 C TYR A 56 24.477 -2.429 18.661 1.00 41.14 C ATOM 802 O TYR A 56 23.263 -2.264 18.781 1.00 55.22 O ATOM 803 CB TYR A 56 26.173 -0.717 19.331 1.00 50.31 C ATOM 804 CG TYR A 56 25.438 0.556 19.689 1.00 64.44 C ATOM 805 CD1 TYR A 56 24.129 0.764 19.274 1.00 15.43 C ATOM 806 CD2 TYR A 56 26.054 1.549 20.440 1.00 50.14 C ATOM 807 CE1 TYR A 56 23.453 1.925 19.598 1.00 44.40 C ATOM 808 CE2 TYR A 56 25.386 2.713 20.769 1.00 22.53 C ATOM 809 CZ TYR A 56 24.086 2.896 20.346 1.00 3.20 C ATOM 810 OH TYR A 56 23.418 4.054 20.671 1.00 2.41 O ATOM 0 H TYR A 56 27.359 -2.831 19.808 1.00 41.03 H new ATOM 0 HA TYR A 56 24.861 -1.782 20.660 1.00 5.35 H new ATOM 0 HB2 TYR A 56 27.158 -0.701 19.798 1.00 50.31 H new ATOM 0 HB3 TYR A 56 26.331 -0.744 18.253 1.00 50.31 H new ATOM 0 HD1 TYR A 56 23.631 0.006 18.688 1.00 15.43 H new ATOM 0 HD2 TYR A 56 27.072 1.409 20.772 1.00 50.14 H new ATOM 0 HE1 TYR A 56 22.435 2.071 19.268 1.00 44.40 H new ATOM 0 HE2 TYR A 56 25.879 3.475 21.354 1.00 22.53 H new ATOM 0 HH TYR A 56 24.005 4.633 21.201 1.00 2.41 H new ATOM 820 N CYS A 57 25.029 -2.990 17.591 1.00 74.35 N ATOM 821 CA CYS A 57 24.220 -3.455 16.469 1.00 65.23 C ATOM 822 C CYS A 57 23.345 -4.634 16.881 1.00 14.31 C ATOM 823 O CYS A 57 22.167 -4.700 16.529 1.00 52.54 O ATOM 824 CB CYS A 57 25.119 -3.857 15.298 1.00 52.20 C ATOM 825 SG CYS A 57 25.881 -2.460 14.439 1.00 12.02 S ATOM 0 H CYS A 57 26.032 -3.134 17.476 1.00 74.35 H new ATOM 0 HA CYS A 57 23.572 -2.636 16.157 1.00 65.23 H new ATOM 0 HB2 CYS A 57 25.905 -4.516 15.667 1.00 52.20 H new ATOM 0 HB3 CYS A 57 24.531 -4.432 14.583 1.00 52.20 H new ATOM 0 HG CYS A 57 26.973 -2.115 15.055 1.00 12.02 H new ATOM 831 N LYS A 58 23.928 -5.564 17.629 1.00 72.41 N ATOM 832 CA LYS A 58 23.202 -6.742 18.090 1.00 50.11 C ATOM 833 C LYS A 58 22.115 -6.355 19.087 1.00 11.05 C ATOM 834 O LYS A 58 21.004 -6.884 19.047 1.00 12.21 O ATOM 835 CB LYS A 58 24.166 -7.742 18.732 1.00 2.44 C ATOM 836 CG LYS A 58 23.550 -9.107 18.981 1.00 70.53 C ATOM 837 CD LYS A 58 24.532 -10.226 18.674 1.00 35.22 C ATOM 838 CE LYS A 58 23.812 -11.509 18.289 1.00 35.41 C ATOM 839 NZ LYS A 58 23.984 -12.572 19.318 1.00 70.43 N ATOM 0 H LYS A 58 24.902 -5.525 17.929 1.00 72.41 H new ATOM 0 HA LYS A 58 22.728 -7.208 17.226 1.00 50.11 H new ATOM 0 HB2 LYS A 58 25.038 -7.858 18.088 1.00 2.44 H new ATOM 0 HB3 LYS A 58 24.521 -7.335 19.679 1.00 2.44 H new ATOM 0 HG2 LYS A 58 23.229 -9.178 20.020 1.00 70.53 H new ATOM 0 HG3 LYS A 58 22.659 -9.224 18.363 1.00 70.53 H new ATOM 0 HD2 LYS A 58 25.192 -9.920 17.862 1.00 35.22 H new ATOM 0 HD3 LYS A 58 25.162 -10.408 19.545 1.00 35.22 H new ATOM 0 HE2 LYS A 58 22.750 -11.303 18.154 1.00 35.41 H new ATOM 0 HE3 LYS A 58 24.192 -11.865 17.332 1.00 35.41 H new ATOM 0 HZ1 LYS A 58 23.478 -13.430 19.019 1.00 70.43 H new ATOM 0 HZ2 LYS A 58 24.995 -12.787 19.429 1.00 70.43 H new ATOM 0 HZ3 LYS A 58 23.598 -12.242 20.226 1.00 70.43 H new ATOM 853 N LYS A 59 22.442 -5.428 19.982 1.00 73.13 N ATOM 854 CA LYS A 59 21.493 -4.967 20.988 1.00 31.55 C ATOM 855 C LYS A 59 20.300 -4.276 20.336 1.00 31.30 C ATOM 856 O LYS A 59 19.150 -4.548 20.680 1.00 21.12 O ATOM 857 CB LYS A 59 22.179 -4.010 21.965 1.00 1.23 C ATOM 858 CG LYS A 59 21.289 -3.574 23.116 1.00 11.21 C ATOM 859 CD LYS A 59 21.640 -2.174 23.593 1.00 33.42 C ATOM 860 CE LYS A 59 21.618 -2.081 25.111 1.00 25.52 C ATOM 861 NZ LYS A 59 20.776 -0.949 25.586 1.00 73.12 N ATOM 0 H LYS A 59 23.358 -4.981 20.031 1.00 73.13 H new ATOM 0 HA LYS A 59 21.131 -5.838 21.535 1.00 31.55 H new ATOM 0 HB2 LYS A 59 23.070 -4.492 22.368 1.00 1.23 H new ATOM 0 HB3 LYS A 59 22.514 -3.127 21.421 1.00 1.23 H new ATOM 0 HG2 LYS A 59 20.246 -3.601 22.801 1.00 11.21 H new ATOM 0 HG3 LYS A 59 21.391 -4.277 23.943 1.00 11.21 H new ATOM 0 HD2 LYS A 59 22.629 -1.900 23.225 1.00 33.42 H new ATOM 0 HD3 LYS A 59 20.934 -1.458 23.173 1.00 33.42 H new ATOM 0 HE2 LYS A 59 21.239 -3.015 25.526 1.00 25.52 H new ATOM 0 HE3 LYS A 59 22.635 -1.957 25.482 1.00 25.52 H new ATOM 0 HZ1 LYS A 59 20.787 -0.920 26.626 1.00 73.12 H new ATOM 0 HZ2 LYS A 59 21.152 -0.055 25.211 1.00 73.12 H new ATOM 0 HZ3 LYS A 59 19.799 -1.080 25.254 1.00 73.12 H new ATOM 875 N GLN A 60 20.582 -3.384 19.393 1.00 42.43 N ATOM 876 CA GLN A 60 19.531 -2.655 18.692 1.00 2.12 C ATOM 877 C GLN A 60 18.610 -3.613 17.945 1.00 34.21 C ATOM 878 O GLN A 60 17.484 -3.261 17.594 1.00 21.25 O ATOM 879 CB GLN A 60 20.143 -1.650 17.714 1.00 31.23 C ATOM 880 CG GLN A 60 19.109 -0.851 16.938 1.00 42.42 C ATOM 881 CD GLN A 60 19.609 0.526 16.548 1.00 43.42 C ATOM 882 OE1 GLN A 60 20.738 0.680 16.081 1.00 4.42 O ATOM 883 NE2 GLN A 60 18.769 1.537 16.737 1.00 41.20 N ATOM 0 H GLN A 60 21.529 -3.148 19.096 1.00 42.43 H new ATOM 0 HA GLN A 60 18.941 -2.116 19.433 1.00 2.12 H new ATOM 0 HB2 GLN A 60 20.783 -0.962 18.266 1.00 31.23 H new ATOM 0 HB3 GLN A 60 20.782 -2.183 17.010 1.00 31.23 H new ATOM 0 HG2 GLN A 60 18.831 -1.401 16.039 1.00 42.42 H new ATOM 0 HG3 GLN A 60 18.207 -0.749 17.541 1.00 42.42 H new ATOM 0 HE21 GLN A 60 17.842 1.364 17.127 1.00 41.20 H new ATOM 0 HE22 GLN A 60 19.050 2.486 16.492 1.00 41.20 H new ATOM 892 N GLY A 61 19.096 -4.827 17.704 1.00 34.20 N ATOM 893 CA GLY A 61 18.303 -5.817 16.999 1.00 35.33 C ATOM 894 C GLY A 61 18.392 -5.667 15.494 1.00 64.44 C ATOM 895 O GLY A 61 17.487 -6.078 14.767 1.00 20.43 O ATOM 0 H GLY A 61 20.025 -5.142 17.984 1.00 34.20 H new ATOM 0 HA2 GLY A 61 18.638 -6.815 17.282 1.00 35.33 H new ATOM 0 HA3 GLY A 61 17.261 -5.731 17.309 1.00 35.33 H new ATOM 899 N ILE A 62 19.486 -5.076 15.024 1.00 74.12 N ATOM 900 CA ILE A 62 19.689 -4.873 13.595 1.00 43.31 C ATOM 901 C ILE A 62 21.107 -5.253 13.182 1.00 22.11 C ATOM 902 O ILE A 62 22.074 -4.921 13.867 1.00 4.21 O ATOM 903 CB ILE A 62 19.424 -3.410 13.191 1.00 70.40 C ATOM 904 CG1 ILE A 62 20.347 -2.469 13.967 1.00 11.51 C ATOM 905 CG2 ILE A 62 17.966 -3.050 13.433 1.00 32.31 C ATOM 906 CD1 ILE A 62 21.626 -2.135 13.232 1.00 41.30 C ATOM 0 H ILE A 62 20.244 -4.730 15.612 1.00 74.12 H new ATOM 0 HA ILE A 62 18.977 -5.519 13.080 1.00 43.31 H new ATOM 0 HB ILE A 62 19.634 -3.298 12.127 1.00 70.40 H new ATOM 0 HG12 ILE A 62 19.811 -1.545 14.185 1.00 11.51 H new ATOM 0 HG13 ILE A 62 20.597 -2.926 14.925 1.00 11.51 H new ATOM 0 HG21 ILE A 62 17.794 -2.013 13.143 1.00 32.31 H new ATOM 0 HG22 ILE A 62 17.327 -3.704 12.840 1.00 32.31 H new ATOM 0 HG23 ILE A 62 17.731 -3.175 14.490 1.00 32.31 H new ATOM 0 HD11 ILE A 62 22.231 -1.464 13.841 1.00 41.30 H new ATOM 0 HD12 ILE A 62 22.184 -3.051 13.038 1.00 41.30 H new ATOM 0 HD13 ILE A 62 21.386 -1.649 12.286 1.00 41.30 H new ATOM 918 N SER A 63 21.223 -5.951 12.056 1.00 11.55 N ATOM 919 CA SER A 63 22.523 -6.378 11.552 1.00 33.25 C ATOM 920 C SER A 63 23.435 -5.179 11.317 1.00 44.45 C ATOM 921 O SER A 63 23.007 -4.029 11.420 1.00 70.02 O ATOM 922 CB SER A 63 22.355 -7.169 10.254 1.00 53.25 C ATOM 923 OG SER A 63 23.478 -7.998 10.013 1.00 60.45 O ATOM 0 H SER A 63 20.433 -6.232 11.476 1.00 11.55 H new ATOM 0 HA SER A 63 22.984 -7.020 12.303 1.00 33.25 H new ATOM 0 HB2 SER A 63 21.454 -7.780 10.311 1.00 53.25 H new ATOM 0 HB3 SER A 63 22.222 -6.480 9.420 1.00 53.25 H new ATOM 0 HG SER A 63 23.899 -7.740 9.167 1.00 60.45 H new ATOM 929 N ARG A 64 24.696 -5.455 10.999 1.00 31.41 N ATOM 930 CA ARG A 64 25.670 -4.400 10.750 1.00 63.25 C ATOM 931 C ARG A 64 25.587 -3.913 9.306 1.00 74.21 C ATOM 932 O ARG A 64 26.592 -3.858 8.600 1.00 64.02 O ATOM 933 CB ARG A 64 27.084 -4.901 11.049 1.00 64.33 C ATOM 934 CG ARG A 64 27.444 -6.183 10.315 1.00 22.13 C ATOM 935 CD ARG A 64 28.552 -5.952 9.300 1.00 41.43 C ATOM 936 NE ARG A 64 29.433 -7.110 9.177 1.00 71.00 N ATOM 937 CZ ARG A 64 30.381 -7.409 10.058 1.00 32.12 C ATOM 938 NH1 ARG A 64 30.569 -6.639 11.121 1.00 22.31 N ATOM 939 NH2 ARG A 64 31.142 -8.481 9.877 1.00 3.43 N ATOM 0 H ARG A 64 25.067 -6.401 10.908 1.00 31.41 H new ATOM 0 HA ARG A 64 25.440 -3.565 11.411 1.00 63.25 H new ATOM 0 HB2 ARG A 64 27.800 -4.125 10.779 1.00 64.33 H new ATOM 0 HB3 ARG A 64 27.182 -5.067 12.122 1.00 64.33 H new ATOM 0 HG2 ARG A 64 27.760 -6.939 11.034 1.00 22.13 H new ATOM 0 HG3 ARG A 64 26.561 -6.574 9.809 1.00 22.13 H new ATOM 0 HD2 ARG A 64 28.112 -5.727 8.328 1.00 41.43 H new ATOM 0 HD3 ARG A 64 29.137 -5.081 9.595 1.00 41.43 H new ATOM 0 HE ARG A 64 29.314 -7.723 8.370 1.00 71.00 H new ATOM 0 HH11 ARG A 64 29.985 -5.815 11.264 1.00 22.31 H new ATOM 0 HH12 ARG A 64 31.298 -6.871 11.796 1.00 22.31 H new ATOM 0 HH21 ARG A 64 30.999 -9.076 9.061 1.00 3.43 H new ATOM 0 HH22 ARG A 64 31.870 -8.710 10.554 1.00 3.43 H new ATOM 953 N ASN A 65 24.380 -3.562 8.874 1.00 14.45 N ATOM 954 CA ASN A 65 24.164 -3.080 7.515 1.00 61.33 C ATOM 955 C ASN A 65 23.252 -1.857 7.509 1.00 61.33 C ATOM 956 O ASN A 65 22.431 -1.687 6.607 1.00 3.33 O ATOM 957 CB ASN A 65 23.558 -4.187 6.650 1.00 75.12 C ATOM 958 CG ASN A 65 24.285 -5.508 6.808 1.00 72.42 C ATOM 959 OD1 ASN A 65 23.816 -6.408 7.505 1.00 71.42 O ATOM 960 ND2 ASN A 65 25.437 -5.630 6.159 1.00 23.44 N ATOM 0 H ASN A 65 23.536 -3.602 9.446 1.00 14.45 H new ATOM 0 HA ASN A 65 25.130 -2.792 7.101 1.00 61.33 H new ATOM 0 HB2 ASN A 65 22.509 -4.319 6.916 1.00 75.12 H new ATOM 0 HB3 ASN A 65 23.586 -3.883 5.604 1.00 75.12 H new ATOM 0 HD21 ASN A 65 25.971 -6.496 6.227 1.00 23.44 H new ATOM 0 HD22 ASN A 65 25.788 -4.858 5.593 1.00 23.44 H new ATOM 967 N SER A 66 23.403 -1.009 8.520 1.00 14.45 N ATOM 968 CA SER A 66 22.591 0.197 8.634 1.00 53.31 C ATOM 969 C SER A 66 23.154 1.133 9.699 1.00 42.42 C ATOM 970 O SER A 66 22.407 1.810 10.405 1.00 10.51 O ATOM 971 CB SER A 66 21.144 -0.167 8.973 1.00 52.55 C ATOM 972 OG SER A 66 20.232 0.602 8.207 1.00 1.41 O ATOM 0 H SER A 66 24.080 -1.134 9.272 1.00 14.45 H new ATOM 0 HA SER A 66 22.614 0.712 7.674 1.00 53.31 H new ATOM 0 HB2 SER A 66 20.979 -1.228 8.784 1.00 52.55 H new ATOM 0 HB3 SER A 66 20.963 -0.000 10.035 1.00 52.55 H new ATOM 0 HG SER A 66 19.314 0.350 8.441 1.00 1.41 H new ATOM 978 N VAL A 67 24.479 1.166 9.808 1.00 14.02 N ATOM 979 CA VAL A 67 25.144 2.019 10.786 1.00 42.15 C ATOM 980 C VAL A 67 26.546 2.397 10.321 1.00 51.35 C ATOM 981 O VAL A 67 27.387 1.530 10.082 1.00 10.44 O ATOM 982 CB VAL A 67 25.240 1.330 12.160 1.00 75.24 C ATOM 983 CG1 VAL A 67 23.883 1.319 12.847 1.00 33.20 C ATOM 984 CG2 VAL A 67 25.782 -0.084 12.010 1.00 51.43 C ATOM 0 H VAL A 67 25.112 0.612 9.231 1.00 14.02 H new ATOM 0 HA VAL A 67 24.539 2.921 10.882 1.00 42.15 H new ATOM 0 HB VAL A 67 25.932 1.896 12.784 1.00 75.24 H new ATOM 0 HG11 VAL A 67 23.970 0.828 13.816 1.00 33.20 H new ATOM 0 HG12 VAL A 67 23.538 2.343 12.988 1.00 33.20 H new ATOM 0 HG13 VAL A 67 23.167 0.777 12.229 1.00 33.20 H new ATOM 0 HG21 VAL A 67 25.843 -0.556 12.991 1.00 51.43 H new ATOM 0 HG22 VAL A 67 25.116 -0.663 11.370 1.00 51.43 H new ATOM 0 HG23 VAL A 67 26.775 -0.047 11.562 1.00 51.43 H new ATOM 994 N ARG A 68 26.791 3.697 10.194 1.00 54.52 N ATOM 995 CA ARG A 68 28.091 4.191 9.756 1.00 12.15 C ATOM 996 C ARG A 68 28.964 4.558 10.953 1.00 33.41 C ATOM 997 O ARG A 68 28.711 5.549 11.639 1.00 62.43 O ATOM 998 CB ARG A 68 27.918 5.408 8.846 1.00 41.12 C ATOM 999 CG ARG A 68 27.423 5.060 7.452 1.00 41.15 C ATOM 1000 CD ARG A 68 26.720 6.240 6.799 1.00 4.41 C ATOM 1001 NE ARG A 68 27.666 7.168 6.184 1.00 13.41 N ATOM 1002 CZ ARG A 68 27.309 8.126 5.335 1.00 31.22 C ATOM 1003 NH1 ARG A 68 26.035 8.281 5.003 1.00 73.42 N ATOM 1004 NH2 ARG A 68 28.228 8.931 4.817 1.00 15.13 N ATOM 0 H ARG A 68 26.106 4.427 10.388 1.00 54.52 H new ATOM 0 HA ARG A 68 28.585 3.396 9.198 1.00 12.15 H new ATOM 0 HB2 ARG A 68 27.216 6.101 9.309 1.00 41.12 H new ATOM 0 HB3 ARG A 68 28.872 5.929 8.764 1.00 41.12 H new ATOM 0 HG2 ARG A 68 28.265 4.749 6.833 1.00 41.15 H new ATOM 0 HG3 ARG A 68 26.739 4.213 7.509 1.00 41.15 H new ATOM 0 HD2 ARG A 68 26.026 5.875 6.042 1.00 4.41 H new ATOM 0 HD3 ARG A 68 26.128 6.768 7.546 1.00 4.41 H new ATOM 0 HE ARG A 68 28.654 7.076 6.419 1.00 13.41 H new ATOM 0 HH11 ARG A 68 25.326 7.664 5.399 1.00 73.42 H new ATOM 0 HH12 ARG A 68 25.764 9.017 4.351 1.00 73.42 H new ATOM 0 HH21 ARG A 68 29.209 8.815 5.070 1.00 15.13 H new ATOM 0 HH22 ARG A 68 27.953 9.666 4.165 1.00 15.13 H new ATOM 1018 N PHE A 69 29.991 3.751 11.199 1.00 42.35 N ATOM 1019 CA PHE A 69 30.901 3.990 12.313 1.00 32.41 C ATOM 1020 C PHE A 69 32.178 4.674 11.836 1.00 43.12 C ATOM 1021 O PHE A 69 33.044 4.043 11.228 1.00 4.40 O ATOM 1022 CB PHE A 69 31.245 2.671 13.009 1.00 13.22 C ATOM 1023 CG PHE A 69 30.240 2.262 14.048 1.00 73.43 C ATOM 1024 CD1 PHE A 69 28.882 2.322 13.779 1.00 51.14 C ATOM 1025 CD2 PHE A 69 30.653 1.817 15.293 1.00 30.31 C ATOM 1026 CE1 PHE A 69 27.954 1.946 14.732 1.00 65.41 C ATOM 1027 CE2 PHE A 69 29.730 1.439 16.250 1.00 23.40 C ATOM 1028 CZ PHE A 69 28.379 1.504 15.970 1.00 44.34 C ATOM 0 H PHE A 69 30.214 2.926 10.642 1.00 42.35 H new ATOM 0 HA PHE A 69 30.401 4.649 13.023 1.00 32.41 H new ATOM 0 HB2 PHE A 69 31.322 1.883 12.260 1.00 13.22 H new ATOM 0 HB3 PHE A 69 32.225 2.762 13.478 1.00 13.22 H new ATOM 0 HD1 PHE A 69 28.544 2.667 12.813 1.00 51.14 H new ATOM 0 HD2 PHE A 69 31.708 1.765 15.519 1.00 30.31 H new ATOM 0 HE1 PHE A 69 26.899 1.998 14.509 1.00 65.41 H new ATOM 0 HE2 PHE A 69 30.065 1.093 17.217 1.00 23.40 H new ATOM 0 HZ PHE A 69 27.657 1.210 16.717 1.00 44.34 H new ATOM 1038 N LEU A 70 32.288 5.968 12.115 1.00 44.25 N ATOM 1039 CA LEU A 70 33.460 6.740 11.714 1.00 55.32 C ATOM 1040 C LEU A 70 34.196 7.285 12.933 1.00 22.34 C ATOM 1041 O LEU A 70 33.629 7.382 14.022 1.00 42.00 O ATOM 1042 CB LEU A 70 33.046 7.893 10.797 1.00 32.22 C ATOM 1043 CG LEU A 70 31.672 8.508 11.070 1.00 65.52 C ATOM 1044 CD1 LEU A 70 31.652 9.187 12.430 1.00 23.13 C ATOM 1045 CD2 LEU A 70 31.303 9.495 9.973 1.00 50.41 C ATOM 0 H LEU A 70 31.581 6.505 12.617 1.00 44.25 H new ATOM 0 HA LEU A 70 34.134 6.076 11.172 1.00 55.32 H new ATOM 0 HB2 LEU A 70 33.796 8.680 10.875 1.00 32.22 H new ATOM 0 HB3 LEU A 70 33.064 7.536 9.767 1.00 32.22 H new ATOM 0 HG LEU A 70 30.931 7.708 11.076 1.00 65.52 H new ATOM 0 HD11 LEU A 70 30.667 9.619 12.607 1.00 23.13 H new ATOM 0 HD12 LEU A 70 31.871 8.454 13.206 1.00 23.13 H new ATOM 0 HD13 LEU A 70 32.403 9.976 12.454 1.00 23.13 H new ATOM 0 HD21 LEU A 70 30.323 9.923 10.183 1.00 50.41 H new ATOM 0 HD22 LEU A 70 32.046 10.292 9.935 1.00 50.41 H new ATOM 0 HD23 LEU A 70 31.275 8.979 9.013 1.00 50.41 H new ATOM 1057 N PHE A 71 35.462 7.640 12.743 1.00 4.54 N ATOM 1058 CA PHE A 71 36.277 8.177 13.828 1.00 72.24 C ATOM 1059 C PHE A 71 36.960 9.474 13.404 1.00 23.32 C ATOM 1060 O PHE A 71 37.982 9.454 12.717 1.00 13.13 O ATOM 1061 CB PHE A 71 37.327 7.151 14.260 1.00 11.54 C ATOM 1062 CG PHE A 71 38.463 7.749 15.041 1.00 54.35 C ATOM 1063 CD1 PHE A 71 38.219 8.653 16.062 1.00 52.42 C ATOM 1064 CD2 PHE A 71 39.774 7.408 14.752 1.00 21.42 C ATOM 1065 CE1 PHE A 71 39.262 9.205 16.782 1.00 54.10 C ATOM 1066 CE2 PHE A 71 40.821 7.956 15.469 1.00 32.32 C ATOM 1067 CZ PHE A 71 40.564 8.857 16.484 1.00 24.54 C ATOM 0 H PHE A 71 35.946 7.566 11.848 1.00 4.54 H new ATOM 0 HA PHE A 71 35.621 8.392 14.671 1.00 72.24 H new ATOM 0 HB2 PHE A 71 36.845 6.383 14.865 1.00 11.54 H new ATOM 0 HB3 PHE A 71 37.726 6.656 13.375 1.00 11.54 H new ATOM 0 HD1 PHE A 71 37.202 8.930 16.298 1.00 52.42 H new ATOM 0 HD2 PHE A 71 39.980 6.706 13.958 1.00 21.42 H new ATOM 0 HE1 PHE A 71 39.058 9.908 17.577 1.00 54.10 H new ATOM 0 HE2 PHE A 71 41.839 7.680 15.236 1.00 32.32 H new ATOM 0 HZ PHE A 71 41.381 9.289 17.044 1.00 24.54 H new ATOM 1077 N ASP A 72 36.389 10.599 13.819 1.00 53.04 N ATOM 1078 CA ASP A 72 36.942 11.906 13.484 1.00 51.05 C ATOM 1079 C ASP A 72 37.121 12.050 11.975 1.00 32.04 C ATOM 1080 O ASP A 72 38.010 12.762 11.511 1.00 52.04 O ATOM 1081 CB ASP A 72 38.282 12.113 14.191 1.00 63.34 C ATOM 1082 CG ASP A 72 38.526 13.564 14.557 1.00 61.43 C ATOM 1083 OD1 ASP A 72 37.647 14.168 15.206 1.00 33.21 O ATOM 1084 OD2 ASP A 72 39.597 14.095 14.195 1.00 75.43 O ATOM 0 H ASP A 72 35.543 10.632 14.388 1.00 53.04 H new ATOM 0 HA ASP A 72 36.240 12.668 13.823 1.00 51.05 H new ATOM 0 HB2 ASP A 72 38.311 11.504 15.094 1.00 63.34 H new ATOM 0 HB3 ASP A 72 39.088 11.764 13.545 1.00 63.34 H new ATOM 1089 N GLY A 73 36.269 11.367 11.216 1.00 45.34 N ATOM 1090 CA GLY A 73 36.351 11.432 9.768 1.00 22.41 C ATOM 1091 C GLY A 73 36.873 10.145 9.159 1.00 2.41 C ATOM 1092 O GLY A 73 37.119 10.074 7.954 1.00 14.04 O ATOM 0 H GLY A 73 35.525 10.771 11.577 1.00 45.34 H new ATOM 0 HA2 GLY A 73 35.364 11.649 9.361 1.00 22.41 H new ATOM 0 HA3 GLY A 73 37.003 12.257 9.481 1.00 22.41 H new ATOM 1096 N THR A 74 37.046 9.125 9.993 1.00 32.34 N ATOM 1097 CA THR A 74 37.545 7.836 9.531 1.00 31.22 C ATOM 1098 C THR A 74 36.447 6.778 9.561 1.00 43.43 C ATOM 1099 O THR A 74 36.314 6.014 10.516 1.00 21.24 O ATOM 1100 CB THR A 74 38.731 7.353 10.388 1.00 74.44 C ATOM 1101 OG1 THR A 74 39.636 8.436 10.627 1.00 53.12 O ATOM 1102 CG2 THR A 74 39.466 6.213 9.699 1.00 5.01 C ATOM 0 H THR A 74 36.848 9.167 10.993 1.00 32.34 H new ATOM 0 HA THR A 74 37.882 7.977 8.504 1.00 31.22 H new ATOM 0 HB THR A 74 38.341 6.991 11.339 1.00 74.44 H new ATOM 0 HG1 THR A 74 39.283 9.005 11.343 1.00 53.12 H new ATOM 0 HG21 THR A 74 40.299 5.888 10.322 1.00 5.01 H new ATOM 0 HG22 THR A 74 38.781 5.379 9.545 1.00 5.01 H new ATOM 0 HG23 THR A 74 39.845 6.554 8.736 1.00 5.01 H new ATOM 1110 N PRO A 75 35.641 6.731 8.490 1.00 41.13 N ATOM 1111 CA PRO A 75 34.541 5.770 8.369 1.00 60.12 C ATOM 1112 C PRO A 75 35.038 4.341 8.180 1.00 21.30 C ATOM 1113 O PRO A 75 35.316 3.914 7.059 1.00 23.51 O ATOM 1114 CB PRO A 75 33.791 6.244 7.122 1.00 51.34 C ATOM 1115 CG PRO A 75 34.813 6.973 6.319 1.00 31.02 C ATOM 1116 CD PRO A 75 35.742 7.612 7.314 1.00 11.10 C ATOM 0 HA PRO A 75 33.925 5.740 9.268 1.00 60.12 H new ATOM 0 HB2 PRO A 75 33.377 5.403 6.566 1.00 51.34 H new ATOM 0 HB3 PRO A 75 32.957 6.894 7.385 1.00 51.34 H new ATOM 0 HG2 PRO A 75 35.353 6.291 5.663 1.00 31.02 H new ATOM 0 HG3 PRO A 75 34.346 7.725 5.682 1.00 31.02 H new ATOM 0 HD2 PRO A 75 36.763 7.662 6.936 1.00 11.10 H new ATOM 0 HD3 PRO A 75 35.439 8.632 7.549 1.00 11.10 H new ATOM 1124 N ILE A 76 35.147 3.607 9.282 1.00 30.32 N ATOM 1125 CA ILE A 76 35.609 2.225 9.237 1.00 41.04 C ATOM 1126 C ILE A 76 35.004 1.405 10.371 1.00 11.32 C ATOM 1127 O ILE A 76 34.800 1.910 11.475 1.00 0.23 O ATOM 1128 CB ILE A 76 37.145 2.142 9.321 1.00 74.12 C ATOM 1129 CG1 ILE A 76 37.783 2.922 8.170 1.00 62.02 C ATOM 1130 CG2 ILE A 76 37.598 0.690 9.300 1.00 64.13 C ATOM 1131 CD1 ILE A 76 39.295 2.865 8.167 1.00 52.05 C ATOM 0 H ILE A 76 34.922 3.946 10.217 1.00 30.32 H new ATOM 0 HA ILE A 76 35.283 1.815 8.281 1.00 41.04 H new ATOM 0 HB ILE A 76 37.468 2.590 10.261 1.00 74.12 H new ATOM 0 HG12 ILE A 76 37.411 2.528 7.224 1.00 62.02 H new ATOM 0 HG13 ILE A 76 37.467 3.963 8.228 1.00 62.02 H new ATOM 0 HG21 ILE A 76 38.686 0.647 9.360 1.00 64.13 H new ATOM 0 HG22 ILE A 76 37.167 0.162 10.150 1.00 64.13 H new ATOM 0 HG23 ILE A 76 37.267 0.219 8.375 1.00 64.13 H new ATOM 0 HD11 ILE A 76 39.679 3.439 7.324 1.00 52.05 H new ATOM 0 HD12 ILE A 76 39.677 3.286 9.097 1.00 52.05 H new ATOM 0 HD13 ILE A 76 39.620 1.828 8.078 1.00 52.05 H new ATOM 1143 N ASP A 77 34.720 0.138 10.092 1.00 65.12 N ATOM 1144 CA ASP A 77 34.141 -0.754 11.090 1.00 42.13 C ATOM 1145 C ASP A 77 35.168 -1.776 11.566 1.00 21.43 C ATOM 1146 O ASP A 77 35.280 -2.865 11.004 1.00 31.34 O ATOM 1147 CB ASP A 77 32.918 -1.471 10.516 1.00 40.44 C ATOM 1148 CG ASP A 77 31.980 -0.525 9.792 1.00 71.04 C ATOM 1149 OD1 ASP A 77 31.328 0.297 10.469 1.00 50.04 O ATOM 1150 OD2 ASP A 77 31.897 -0.608 8.548 1.00 11.31 O ATOM 0 H ASP A 77 34.881 -0.295 9.183 1.00 65.12 H new ATOM 0 HA ASP A 77 33.832 -0.152 11.944 1.00 42.13 H new ATOM 0 HB2 ASP A 77 33.247 -2.250 9.828 1.00 40.44 H new ATOM 0 HB3 ASP A 77 32.378 -1.966 11.323 1.00 40.44 H new ATOM 1155 N GLU A 78 35.916 -1.417 12.605 1.00 40.32 N ATOM 1156 CA GLU A 78 36.935 -2.303 13.155 1.00 41.12 C ATOM 1157 C GLU A 78 37.637 -1.653 14.344 1.00 34.32 C ATOM 1158 O GLU A 78 37.469 -0.461 14.604 1.00 30.20 O ATOM 1159 CB GLU A 78 37.961 -2.666 12.079 1.00 2.15 C ATOM 1160 CG GLU A 78 37.837 -4.094 11.577 1.00 72.42 C ATOM 1161 CD GLU A 78 39.141 -4.862 11.672 1.00 30.11 C ATOM 1162 OE1 GLU A 78 39.639 -5.049 12.802 1.00 40.03 O ATOM 1163 OE2 GLU A 78 39.663 -5.276 10.616 1.00 63.22 O ATOM 0 H GLU A 78 35.835 -0.519 13.082 1.00 40.32 H new ATOM 0 HA GLU A 78 36.442 -3.212 13.499 1.00 41.12 H new ATOM 0 HB2 GLU A 78 37.849 -1.983 11.237 1.00 2.15 H new ATOM 0 HB3 GLU A 78 38.964 -2.516 12.480 1.00 2.15 H new ATOM 0 HG2 GLU A 78 37.072 -4.613 12.154 1.00 72.42 H new ATOM 0 HG3 GLU A 78 37.501 -4.083 10.540 1.00 72.42 H new ATOM 1170 N THR A 79 38.423 -2.446 15.065 1.00 25.30 N ATOM 1171 CA THR A 79 39.149 -1.951 16.228 1.00 43.44 C ATOM 1172 C THR A 79 40.654 -1.973 15.987 1.00 64.32 C ATOM 1173 O THR A 79 41.445 -1.822 16.918 1.00 1.33 O ATOM 1174 CB THR A 79 38.829 -2.780 17.485 1.00 24.43 C ATOM 1175 OG1 THR A 79 39.373 -2.141 18.645 1.00 2.14 O ATOM 1176 CG2 THR A 79 39.395 -4.187 17.364 1.00 71.44 C ATOM 0 H THR A 79 38.573 -3.435 14.864 1.00 25.30 H new ATOM 0 HA THR A 79 38.825 -0.923 16.389 1.00 43.44 H new ATOM 0 HB THR A 79 37.745 -2.848 17.582 1.00 24.43 H new ATOM 0 HG1 THR A 79 40.269 -1.800 18.441 1.00 2.14 H new ATOM 0 HG21 THR A 79 39.156 -4.754 18.264 1.00 71.44 H new ATOM 0 HG22 THR A 79 38.958 -4.682 16.497 1.00 71.44 H new ATOM 0 HG23 THR A 79 40.477 -4.135 17.244 1.00 71.44 H new ATOM 1184 N LYS A 80 41.045 -2.163 14.731 1.00 2.02 N ATOM 1185 CA LYS A 80 42.456 -2.204 14.366 1.00 3.44 C ATOM 1186 C LYS A 80 42.818 -1.032 13.460 1.00 52.45 C ATOM 1187 O LYS A 80 43.939 -0.523 13.501 1.00 73.21 O ATOM 1188 CB LYS A 80 42.785 -3.524 13.666 1.00 25.15 C ATOM 1189 CG LYS A 80 42.587 -4.745 14.547 1.00 34.43 C ATOM 1190 CD LYS A 80 43.837 -5.064 15.349 1.00 23.23 C ATOM 1191 CE LYS A 80 44.889 -5.752 14.492 1.00 12.10 C ATOM 1192 NZ LYS A 80 46.193 -5.035 14.533 1.00 42.44 N ATOM 0 H LYS A 80 40.404 -2.291 13.948 1.00 2.02 H new ATOM 0 HA LYS A 80 43.044 -2.129 15.281 1.00 3.44 H new ATOM 0 HB2 LYS A 80 42.159 -3.621 12.779 1.00 25.15 H new ATOM 0 HB3 LYS A 80 43.820 -3.497 13.325 1.00 25.15 H new ATOM 0 HG2 LYS A 80 41.752 -4.573 15.226 1.00 34.43 H new ATOM 0 HG3 LYS A 80 42.323 -5.602 13.928 1.00 34.43 H new ATOM 0 HD2 LYS A 80 44.249 -4.144 15.764 1.00 23.23 H new ATOM 0 HD3 LYS A 80 43.576 -5.705 16.191 1.00 23.23 H new ATOM 0 HE2 LYS A 80 45.027 -6.776 14.839 1.00 12.10 H new ATOM 0 HE3 LYS A 80 44.538 -5.809 13.462 1.00 12.10 H new ATOM 0 HZ1 LYS A 80 46.883 -5.535 13.937 1.00 42.44 H new ATOM 0 HZ2 LYS A 80 46.067 -4.065 14.179 1.00 42.44 H new ATOM 0 HZ3 LYS A 80 46.541 -5.003 15.513 1.00 42.44 H new ATOM 1206 N THR A 81 41.861 -0.605 12.641 1.00 72.20 N ATOM 1207 CA THR A 81 42.078 0.507 11.725 1.00 63.14 C ATOM 1208 C THR A 81 42.216 1.823 12.481 1.00 53.54 C ATOM 1209 O THR A 81 43.218 2.530 12.369 1.00 70.33 O ATOM 1210 CB THR A 81 40.928 0.630 10.707 1.00 22.23 C ATOM 1211 OG1 THR A 81 40.011 -0.457 10.872 1.00 75.03 O ATOM 1212 CG2 THR A 81 41.464 0.637 9.283 1.00 13.24 C ATOM 0 H THR A 81 40.928 -1.014 12.594 1.00 72.20 H new ATOM 0 HA THR A 81 43.005 0.300 11.190 1.00 63.14 H new ATOM 0 HB THR A 81 40.411 1.572 10.888 1.00 22.23 H new ATOM 0 HG1 THR A 81 39.960 -0.971 10.039 1.00 75.03 H new ATOM 0 HG21 THR A 81 40.634 0.725 8.582 1.00 13.24 H new ATOM 0 HG22 THR A 81 42.140 1.482 9.153 1.00 13.24 H new ATOM 0 HG23 THR A 81 42.003 -0.291 9.093 1.00 13.24 H new ATOM 1220 N PRO A 82 41.186 2.164 13.270 1.00 22.53 N ATOM 1221 CA PRO A 82 41.169 3.397 14.062 1.00 44.33 C ATOM 1222 C PRO A 82 42.168 3.361 15.214 1.00 60.25 C ATOM 1223 O PRO A 82 42.661 4.399 15.652 1.00 43.43 O ATOM 1224 CB PRO A 82 39.737 3.456 14.598 1.00 72.54 C ATOM 1225 CG PRO A 82 39.281 2.037 14.616 1.00 43.21 C ATOM 1226 CD PRO A 82 39.959 1.369 13.452 1.00 45.53 C ATOM 0 HA PRO A 82 41.452 4.266 13.468 1.00 44.33 H new ATOM 0 HB2 PRO A 82 39.705 3.895 15.595 1.00 72.54 H new ATOM 0 HB3 PRO A 82 39.100 4.069 13.960 1.00 72.54 H new ATOM 0 HG2 PRO A 82 39.550 1.553 15.555 1.00 43.21 H new ATOM 0 HG3 PRO A 82 38.197 1.974 14.524 1.00 43.21 H new ATOM 0 HD2 PRO A 82 40.185 0.324 13.664 1.00 45.53 H new ATOM 0 HD3 PRO A 82 39.334 1.385 12.559 1.00 45.53 H new ATOM 1234 N GLU A 83 42.461 2.158 15.699 1.00 43.33 N ATOM 1235 CA GLU A 83 43.401 1.988 16.800 1.00 4.33 C ATOM 1236 C GLU A 83 44.840 2.150 16.318 1.00 60.33 C ATOM 1237 O GLU A 83 45.679 2.719 17.015 1.00 13.21 O ATOM 1238 CB GLU A 83 43.220 0.614 17.447 1.00 20.52 C ATOM 1239 CG GLU A 83 44.097 -0.467 16.837 1.00 51.23 C ATOM 1240 CD GLU A 83 45.519 -0.430 17.362 1.00 40.43 C ATOM 1241 OE1 GLU A 83 45.781 0.336 18.312 1.00 3.15 O ATOM 1242 OE2 GLU A 83 46.370 -1.167 16.821 1.00 32.11 O ATOM 0 H GLU A 83 42.061 1.288 15.347 1.00 43.33 H new ATOM 0 HA GLU A 83 43.196 2.760 17.541 1.00 4.33 H new ATOM 0 HB2 GLU A 83 43.441 0.691 18.512 1.00 20.52 H new ATOM 0 HB3 GLU A 83 42.175 0.315 17.359 1.00 20.52 H new ATOM 0 HG2 GLU A 83 43.662 -1.444 17.047 1.00 51.23 H new ATOM 0 HG3 GLU A 83 44.111 -0.350 15.753 1.00 51.23 H new ATOM 1249 N GLU A 84 45.117 1.643 15.120 1.00 14.40 N ATOM 1250 CA GLU A 84 46.454 1.730 14.545 1.00 12.20 C ATOM 1251 C GLU A 84 46.699 3.111 13.944 1.00 2.44 C ATOM 1252 O GLU A 84 47.841 3.560 13.836 1.00 22.10 O ATOM 1253 CB GLU A 84 46.643 0.655 13.473 1.00 31.10 C ATOM 1254 CG GLU A 84 46.014 1.011 12.136 1.00 22.23 C ATOM 1255 CD GLU A 84 46.264 -0.043 11.075 1.00 62.00 C ATOM 1256 OE1 GLU A 84 47.414 -0.141 10.596 1.00 14.04 O ATOM 1257 OE2 GLU A 84 45.311 -0.769 10.723 1.00 63.01 O ATOM 0 H GLU A 84 44.434 1.168 14.530 1.00 14.40 H new ATOM 0 HA GLU A 84 47.177 1.567 15.345 1.00 12.20 H new ATOM 0 HB2 GLU A 84 47.709 0.481 13.329 1.00 31.10 H new ATOM 0 HB3 GLU A 84 46.213 -0.281 13.829 1.00 31.10 H new ATOM 0 HG2 GLU A 84 44.940 1.141 12.267 1.00 22.23 H new ATOM 0 HG3 GLU A 84 46.412 1.967 11.794 1.00 22.23 H new ATOM 1264 N LEU A 85 45.620 3.781 13.555 1.00 72.42 N ATOM 1265 CA LEU A 85 45.716 5.111 12.964 1.00 3.12 C ATOM 1266 C LEU A 85 45.762 6.185 14.046 1.00 5.13 C ATOM 1267 O LEU A 85 46.425 7.210 13.890 1.00 24.34 O ATOM 1268 CB LEU A 85 44.532 5.363 12.030 1.00 74.11 C ATOM 1269 CG LEU A 85 44.654 6.572 11.102 1.00 71.02 C ATOM 1270 CD1 LEU A 85 45.647 6.290 9.985 1.00 23.45 C ATOM 1271 CD2 LEU A 85 43.294 6.943 10.527 1.00 5.03 C ATOM 0 H LEU A 85 44.668 3.425 13.638 1.00 72.42 H new ATOM 0 HA LEU A 85 46.641 5.160 12.389 1.00 3.12 H new ATOM 0 HB2 LEU A 85 44.383 4.474 11.418 1.00 74.11 H new ATOM 0 HB3 LEU A 85 43.635 5.486 12.638 1.00 74.11 H new ATOM 0 HG LEU A 85 45.023 7.416 11.684 1.00 71.02 H new ATOM 0 HD11 LEU A 85 45.720 7.162 9.335 1.00 23.45 H new ATOM 0 HD12 LEU A 85 46.625 6.074 10.414 1.00 23.45 H new ATOM 0 HD13 LEU A 85 45.308 5.432 9.405 1.00 23.45 H new ATOM 0 HD21 LEU A 85 43.400 7.805 9.869 1.00 5.03 H new ATOM 0 HD22 LEU A 85 42.897 6.101 9.960 1.00 5.03 H new ATOM 0 HD23 LEU A 85 42.610 7.189 11.340 1.00 5.03 H new ATOM 1283 N GLY A 86 45.055 5.942 15.145 1.00 35.13 N ATOM 1284 CA GLY A 86 45.030 6.896 16.238 1.00 0.32 C ATOM 1285 C GLY A 86 46.120 6.637 17.259 1.00 20.31 C ATOM 1286 O GLY A 86 46.919 7.522 17.562 1.00 2.11 O ATOM 0 H GLY A 86 44.499 5.101 15.298 1.00 35.13 H new ATOM 0 HA2 GLY A 86 45.142 7.904 15.839 1.00 0.32 H new ATOM 0 HA3 GLY A 86 44.058 6.855 16.730 1.00 0.32 H new ATOM 1290 N MET A 87 46.152 5.420 17.792 1.00 33.32 N ATOM 1291 CA MET A 87 47.152 5.047 18.786 1.00 71.23 C ATOM 1292 C MET A 87 46.993 5.877 20.056 1.00 73.15 C ATOM 1293 O MET A 87 47.931 6.541 20.495 1.00 52.25 O ATOM 1294 CB MET A 87 48.560 5.229 18.216 1.00 2.44 C ATOM 1295 CG MET A 87 48.732 4.648 16.823 1.00 62.15 C ATOM 1296 SD MET A 87 50.327 3.836 16.601 1.00 74.33 S ATOM 1297 CE MET A 87 51.180 5.037 15.583 1.00 51.23 C ATOM 0 H MET A 87 45.497 4.675 17.552 1.00 33.32 H new ATOM 0 HA MET A 87 47.003 3.997 19.039 1.00 71.23 H new ATOM 0 HB2 MET A 87 48.797 6.293 18.189 1.00 2.44 H new ATOM 0 HB3 MET A 87 49.278 4.759 18.888 1.00 2.44 H new ATOM 0 HG2 MET A 87 47.934 3.931 16.632 1.00 62.15 H new ATOM 0 HG3 MET A 87 48.628 5.444 16.086 1.00 62.15 H new ATOM 0 HE1 MET A 87 52.184 4.677 15.360 1.00 51.23 H new ATOM 0 HE2 MET A 87 50.631 5.181 14.652 1.00 51.23 H new ATOM 0 HE3 MET A 87 51.245 5.986 16.116 1.00 51.23 H new ATOM 1307 N GLU A 88 45.799 5.834 20.640 1.00 63.22 N ATOM 1308 CA GLU A 88 45.519 6.584 21.859 1.00 73.45 C ATOM 1309 C GLU A 88 44.365 5.952 22.632 1.00 10.23 C ATOM 1310 O GLU A 88 43.591 5.167 22.083 1.00 3.45 O ATOM 1311 CB GLU A 88 45.186 8.039 21.523 1.00 3.12 C ATOM 1312 CG GLU A 88 45.308 8.980 22.710 1.00 51.10 C ATOM 1313 CD GLU A 88 45.593 10.410 22.294 1.00 51.12 C ATOM 1314 OE1 GLU A 88 45.031 10.852 21.270 1.00 43.34 O ATOM 1315 OE2 GLU A 88 46.377 11.087 22.991 1.00 21.43 O ATOM 0 H GLU A 88 45.012 5.289 20.289 1.00 63.22 H new ATOM 0 HA GLU A 88 46.411 6.558 22.485 1.00 73.45 H new ATOM 0 HB2 GLU A 88 45.850 8.381 20.729 1.00 3.12 H new ATOM 0 HB3 GLU A 88 44.170 8.090 21.133 1.00 3.12 H new ATOM 0 HG2 GLU A 88 44.384 8.951 23.288 1.00 51.10 H new ATOM 0 HG3 GLU A 88 46.106 8.630 23.366 1.00 51.10 H new ATOM 1322 N ASP A 89 44.257 6.300 23.910 1.00 51.02 N ATOM 1323 CA ASP A 89 43.198 5.768 24.760 1.00 0.51 C ATOM 1324 C ASP A 89 41.945 6.634 24.673 1.00 1.42 C ATOM 1325 O ASP A 89 41.020 6.487 25.472 1.00 72.32 O ATOM 1326 CB ASP A 89 43.674 5.683 26.211 1.00 63.10 C ATOM 1327 CG ASP A 89 44.361 6.954 26.671 1.00 64.34 C ATOM 1328 OD1 ASP A 89 43.999 8.038 26.170 1.00 55.43 O ATOM 1329 OD2 ASP A 89 45.263 6.864 27.531 1.00 73.43 O ATOM 0 H ASP A 89 44.890 6.948 24.380 1.00 51.02 H new ATOM 0 HA ASP A 89 42.951 4.767 24.407 1.00 0.51 H new ATOM 0 HB2 ASP A 89 42.821 5.480 26.859 1.00 63.10 H new ATOM 0 HB3 ASP A 89 44.361 4.844 26.316 1.00 63.10 H new ATOM 1334 N ASP A 90 41.923 7.538 23.700 1.00 42.12 N ATOM 1335 CA ASP A 90 40.784 8.428 23.508 1.00 1.34 C ATOM 1336 C ASP A 90 40.142 8.204 22.143 1.00 63.52 C ATOM 1337 O ASP A 90 39.791 9.156 21.446 1.00 3.25 O ATOM 1338 CB ASP A 90 41.221 9.887 23.646 1.00 1.54 C ATOM 1339 CG ASP A 90 41.538 10.264 25.080 1.00 30.24 C ATOM 1340 OD1 ASP A 90 41.332 9.418 25.976 1.00 71.44 O ATOM 1341 OD2 ASP A 90 41.993 11.404 25.307 1.00 12.23 O ATOM 0 H ASP A 90 42.681 7.674 23.032 1.00 42.12 H new ATOM 0 HA ASP A 90 40.046 8.203 24.278 1.00 1.34 H new ATOM 0 HB2 ASP A 90 42.100 10.060 23.025 1.00 1.54 H new ATOM 0 HB3 ASP A 90 40.431 10.537 23.269 1.00 1.54 H new ATOM 1346 N ASP A 91 39.993 6.938 21.766 1.00 1.41 N ATOM 1347 CA ASP A 91 39.394 6.588 20.484 1.00 55.13 C ATOM 1348 C ASP A 91 37.884 6.804 20.513 1.00 53.55 C ATOM 1349 O ASP A 91 37.170 6.171 21.290 1.00 31.11 O ATOM 1350 CB ASP A 91 39.706 5.133 20.131 1.00 41.11 C ATOM 1351 CG ASP A 91 41.195 4.875 20.005 1.00 33.21 C ATOM 1352 OD1 ASP A 91 41.966 5.856 19.977 1.00 63.00 O ATOM 1353 OD2 ASP A 91 41.588 3.691 19.934 1.00 50.42 O ATOM 0 H ASP A 91 40.279 6.138 22.330 1.00 1.41 H new ATOM 0 HA ASP A 91 39.822 7.239 19.721 1.00 55.13 H new ATOM 0 HB2 ASP A 91 39.290 4.479 20.897 1.00 41.11 H new ATOM 0 HB3 ASP A 91 39.215 4.876 19.192 1.00 41.11 H new ATOM 1358 N VAL A 92 37.404 7.704 19.660 1.00 14.52 N ATOM 1359 CA VAL A 92 35.979 8.005 19.588 1.00 73.23 C ATOM 1360 C VAL A 92 35.365 7.450 18.307 1.00 35.15 C ATOM 1361 O VAL A 92 36.064 7.220 17.320 1.00 0.54 O ATOM 1362 CB VAL A 92 35.721 9.522 19.652 1.00 31.01 C ATOM 1363 CG1 VAL A 92 36.547 10.158 20.760 1.00 32.40 C ATOM 1364 CG2 VAL A 92 36.024 10.171 18.310 1.00 25.02 C ATOM 0 H VAL A 92 37.981 8.237 19.009 1.00 14.52 H new ATOM 0 HA VAL A 92 35.511 7.528 20.449 1.00 73.23 H new ATOM 0 HB VAL A 92 34.667 9.685 19.878 1.00 31.01 H new ATOM 0 HG11 VAL A 92 36.352 11.230 20.790 1.00 32.40 H new ATOM 0 HG12 VAL A 92 36.276 9.713 21.717 1.00 32.40 H new ATOM 0 HG13 VAL A 92 37.606 9.988 20.568 1.00 32.40 H new ATOM 0 HG21 VAL A 92 35.836 11.243 18.374 1.00 25.02 H new ATOM 0 HG22 VAL A 92 37.069 10.000 18.051 1.00 25.02 H new ATOM 0 HG23 VAL A 92 35.384 9.735 17.542 1.00 25.02 H new ATOM 1374 N ILE A 93 34.053 7.237 18.331 1.00 62.11 N ATOM 1375 CA ILE A 93 33.344 6.710 17.171 1.00 5.42 C ATOM 1376 C ILE A 93 31.904 7.210 17.133 1.00 3.15 C ATOM 1377 O ILE A 93 31.162 7.070 18.106 1.00 70.44 O ATOM 1378 CB ILE A 93 33.342 5.170 17.164 1.00 11.35 C ATOM 1379 CG1 ILE A 93 32.752 4.645 15.854 1.00 13.21 C ATOM 1380 CG2 ILE A 93 32.560 4.637 18.355 1.00 33.33 C ATOM 1381 CD1 ILE A 93 33.794 4.339 14.802 1.00 63.41 C ATOM 0 H ILE A 93 33.460 7.421 19.140 1.00 62.11 H new ATOM 0 HA ILE A 93 33.873 7.068 16.288 1.00 5.42 H new ATOM 0 HB ILE A 93 34.371 4.819 17.243 1.00 11.35 H new ATOM 0 HG12 ILE A 93 32.179 3.741 16.060 1.00 13.21 H new ATOM 0 HG13 ILE A 93 32.054 5.382 15.458 1.00 13.21 H new ATOM 0 HG21 ILE A 93 32.567 3.547 18.337 1.00 33.33 H new ATOM 0 HG22 ILE A 93 33.020 4.988 19.279 1.00 33.33 H new ATOM 0 HG23 ILE A 93 31.531 4.994 18.304 1.00 33.33 H new ATOM 0 HD11 ILE A 93 33.304 3.971 13.901 1.00 63.41 H new ATOM 0 HD12 ILE A 93 34.352 5.246 14.568 1.00 63.41 H new ATOM 0 HD13 ILE A 93 34.479 3.579 15.178 1.00 63.41 H new ATOM 1393 N ASP A 94 31.515 7.792 16.005 1.00 44.35 N ATOM 1394 CA ASP A 94 30.163 8.311 15.838 1.00 35.32 C ATOM 1395 C ASP A 94 29.345 7.410 14.917 1.00 1.50 C ATOM 1396 O ASP A 94 29.695 7.215 13.754 1.00 60.14 O ATOM 1397 CB ASP A 94 30.204 9.733 15.277 1.00 71.22 C ATOM 1398 CG ASP A 94 29.346 10.695 16.074 1.00 11.23 C ATOM 1399 OD1 ASP A 94 28.219 10.312 16.451 1.00 11.21 O ATOM 1400 OD2 ASP A 94 29.801 11.832 16.321 1.00 62.10 O ATOM 0 H ASP A 94 32.117 7.916 15.191 1.00 44.35 H new ATOM 0 HA ASP A 94 29.684 8.330 16.817 1.00 35.32 H new ATOM 0 HB2 ASP A 94 31.234 10.089 15.272 1.00 71.22 H new ATOM 0 HB3 ASP A 94 29.865 9.722 14.241 1.00 71.22 H new ATOM 1405 N ALA A 95 28.255 6.864 15.446 1.00 2.34 N ATOM 1406 CA ALA A 95 27.388 5.986 14.672 1.00 72.33 C ATOM 1407 C ALA A 95 26.242 6.766 14.036 1.00 1.24 C ATOM 1408 O ALA A 95 25.329 7.218 14.726 1.00 11.14 O ATOM 1409 CB ALA A 95 26.844 4.870 15.552 1.00 4.24 C ATOM 0 H ALA A 95 27.952 7.015 16.408 1.00 2.34 H new ATOM 0 HA ALA A 95 27.982 5.546 13.871 1.00 72.33 H new ATOM 0 HB1 ALA A 95 26.198 4.222 14.960 1.00 4.24 H new ATOM 0 HB2 ALA A 95 27.673 4.287 15.954 1.00 4.24 H new ATOM 0 HB3 ALA A 95 26.271 5.301 16.373 1.00 4.24 H new ATOM 1415 N MET A 96 26.298 6.921 12.718 1.00 52.44 N ATOM 1416 CA MET A 96 25.264 7.648 11.990 1.00 74.53 C ATOM 1417 C MET A 96 24.249 6.685 11.381 1.00 21.52 C ATOM 1418 O MET A 96 24.618 5.658 10.810 1.00 13.10 O ATOM 1419 CB MET A 96 25.891 8.507 10.891 1.00 64.14 C ATOM 1420 CG MET A 96 26.086 9.960 11.292 1.00 54.11 C ATOM 1421 SD MET A 96 26.116 11.074 9.874 1.00 23.04 S ATOM 1422 CE MET A 96 26.320 12.655 10.691 1.00 42.24 C ATOM 0 H MET A 96 27.048 6.553 12.132 1.00 52.44 H new ATOM 0 HA MET A 96 24.746 8.296 12.696 1.00 74.53 H new ATOM 0 HB2 MET A 96 26.856 8.082 10.615 1.00 64.14 H new ATOM 0 HB3 MET A 96 25.259 8.465 10.004 1.00 64.14 H new ATOM 0 HG2 MET A 96 25.283 10.258 11.966 1.00 54.11 H new ATOM 0 HG3 MET A 96 27.020 10.058 11.846 1.00 54.11 H new ATOM 0 HE1 MET A 96 26.356 13.448 9.944 1.00 42.24 H new ATOM 0 HE2 MET A 96 25.480 12.828 11.364 1.00 42.24 H new ATOM 0 HE3 MET A 96 27.248 12.652 11.263 1.00 42.24 H new ATOM 1432 N VAL A 97 22.970 7.022 11.508 1.00 74.04 N ATOM 1433 CA VAL A 97 21.902 6.187 10.969 1.00 1.54 C ATOM 1434 C VAL A 97 21.249 6.844 9.759 1.00 54.14 C ATOM 1435 O VAL A 97 20.867 8.013 9.805 1.00 34.24 O ATOM 1436 CB VAL A 97 20.822 5.903 12.031 1.00 45.53 C ATOM 1437 CG1 VAL A 97 19.807 4.900 11.505 1.00 43.33 C ATOM 1438 CG2 VAL A 97 21.460 5.404 13.318 1.00 21.13 C ATOM 0 H VAL A 97 22.647 7.867 11.979 1.00 74.04 H new ATOM 0 HA VAL A 97 22.359 5.245 10.665 1.00 1.54 H new ATOM 0 HB VAL A 97 20.298 6.833 12.249 1.00 45.53 H new ATOM 0 HG11 VAL A 97 19.052 4.712 12.268 1.00 43.33 H new ATOM 0 HG12 VAL A 97 19.328 5.302 10.612 1.00 43.33 H new ATOM 0 HG13 VAL A 97 20.313 3.967 11.257 1.00 43.33 H new ATOM 0 HG21 VAL A 97 20.683 5.208 14.057 1.00 21.13 H new ATOM 0 HG22 VAL A 97 22.011 4.485 13.118 1.00 21.13 H new ATOM 0 HG23 VAL A 97 22.144 6.161 13.702 1.00 21.13 H new