USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 69 THR OG1 : rot 180:sc= -0.0442 USER MOD Set 1.2: A 72 MET CE :methyl -161:sc= -0.262 (180deg=-1.05) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0.612 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -179:sc= 0.676 (180deg=0) USER MOD Set 3.1: A 36 GLN : amide:sc= 0 K(o=0.17,f=-0.48) USER MOD Set 3.2: A 43 THR OG1 : rot -37:sc= 0.174 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc=-0.00222 X(o=-0.0022,f=-0.0022) USER MOD Single : A 50 GLN : amide:sc= 1.5 K(o=1.5,f=-7.2!) USER MOD Single : A 54 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.18) USER MOD Single : A 56 GLN : amide:sc= 0.463 X(o=0.46,f=0) USER MOD Single : A 62 MET CE :methyl -168:sc= -0.0621 (180deg=-0.382) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= -0.912 (180deg=-1.74) USER MOD Single : A 66 GLN : amide:sc= -0.0772 X(o=-0.077,f=-0.56) USER MOD Single : A 68 THR OG1 : rot 72:sc= 0.332 USER MOD Single : A 74 THR OG1 : rot 36:sc= 0.116 USER MOD Single : A 77 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.77) USER MOD Single : A 80 TYR OH : rot 115:sc= 0.00127 USER MOD Single : A 82 GLN : amide:sc= 0.54 K(o=0.54,f=-0.0012) USER MOD Single : A 84 GLN : amide:sc= 0.3 X(o=0.3,f=-0.17) USER MOD Single : A 85 GLN : amide:sc= 0.412 X(o=0.41,f=-0.042) USER MOD Single : A 87 ASN : amide:sc= 1.13 K(o=1.1,f=-0.049) USER MOD Single : A 89 ASN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.745 K(o=0.75,f=-0.28) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 171:sc= -0.0576 (180deg=-0.344) USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.04) USER MOD Single : A 102 LYS NZ :NH3+ 141:sc= 0.00451 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -12.402 4.503 -3.987 1.00 71.42 N ATOM 280 CA VAL A 21 -12.139 3.081 -3.776 1.00 20.14 C ATOM 281 C VAL A 21 -10.614 2.882 -3.638 1.00 2.24 C ATOM 282 O VAL A 21 -9.837 3.799 -3.923 1.00 60.51 O ATOM 283 CB VAL A 21 -12.822 2.214 -4.862 1.00 32.55 C ATOM 284 CG1 VAL A 21 -13.078 0.798 -4.312 1.00 63.41 C ATOM 285 CG2 VAL A 21 -14.194 2.764 -5.298 1.00 71.13 C ATOM 0 HA VAL A 21 -12.589 2.732 -2.847 1.00 20.14 H new ATOM 0 HB VAL A 21 -12.144 2.217 -5.716 1.00 32.55 H new ATOM 0 HG11 VAL A 21 -13.559 0.191 -5.079 1.00 63.41 H new ATOM 0 HG12 VAL A 21 -12.130 0.341 -4.029 1.00 63.41 H new ATOM 0 HG13 VAL A 21 -13.727 0.859 -3.438 1.00 63.41 H new ATOM 0 HG21 VAL A 21 -14.621 2.113 -6.060 1.00 71.13 H new ATOM 0 HG22 VAL A 21 -14.861 2.801 -4.437 1.00 71.13 H new ATOM 0 HG23 VAL A 21 -14.071 3.767 -5.705 1.00 71.13 H new ATOM 295 N LEU A 22 -10.183 1.715 -3.148 1.00 43.33 N ATOM 296 CA LEU A 22 -8.776 1.337 -2.982 1.00 22.11 C ATOM 297 C LEU A 22 -8.378 0.291 -4.035 1.00 52.33 C ATOM 298 O LEU A 22 -9.251 -0.453 -4.500 1.00 53.10 O ATOM 299 CB LEU A 22 -8.561 0.722 -1.583 1.00 43.00 C ATOM 300 CG LEU A 22 -8.677 1.706 -0.404 1.00 63.53 C ATOM 301 CD1 LEU A 22 -8.614 0.941 0.925 1.00 35.12 C ATOM 302 CD2 LEU A 22 -7.557 2.751 -0.415 1.00 73.12 C ATOM 0 H LEU A 22 -10.826 0.983 -2.846 1.00 43.33 H new ATOM 0 HA LEU A 22 -8.165 2.232 -3.100 1.00 22.11 H new ATOM 0 HB2 LEU A 22 -9.289 -0.077 -1.440 1.00 43.00 H new ATOM 0 HB3 LEU A 22 -7.573 0.262 -1.555 1.00 43.00 H new ATOM 0 HG LEU A 22 -9.633 2.219 -0.509 1.00 63.53 H new ATOM 0 HD11 LEU A 22 -8.697 1.644 1.754 1.00 35.12 H new ATOM 0 HD12 LEU A 22 -9.435 0.226 0.972 1.00 35.12 H new ATOM 0 HD13 LEU A 22 -7.665 0.409 0.994 1.00 35.12 H new ATOM 0 HD21 LEU A 22 -7.679 3.424 0.434 1.00 73.12 H new ATOM 0 HD22 LEU A 22 -6.591 2.250 -0.346 1.00 73.12 H new ATOM 0 HD23 LEU A 22 -7.603 3.324 -1.341 1.00 73.12 H new ATOM 313 N PRO A 23 -7.082 0.141 -4.359 1.00 64.31 N ATOM 314 CA PRO A 23 -6.570 -0.984 -5.145 1.00 44.33 C ATOM 315 C PRO A 23 -6.789 -2.349 -4.455 1.00 15.03 C ATOM 316 O PRO A 23 -7.108 -2.402 -3.261 1.00 14.33 O ATOM 317 CB PRO A 23 -5.083 -0.688 -5.391 1.00 12.34 C ATOM 318 CG PRO A 23 -4.726 0.352 -4.341 1.00 2.33 C ATOM 319 CD PRO A 23 -6.021 1.091 -4.064 1.00 13.44 C ATOM 0 HA PRO A 23 -7.115 -1.072 -6.085 1.00 44.33 H new ATOM 0 HB2 PRO A 23 -4.476 -1.587 -5.283 1.00 12.34 H new ATOM 0 HB3 PRO A 23 -4.915 -0.309 -6.399 1.00 12.34 H new ATOM 0 HG2 PRO A 23 -4.338 -0.117 -3.437 1.00 2.33 H new ATOM 0 HG3 PRO A 23 -3.954 1.031 -4.704 1.00 2.33 H new ATOM 0 HD2 PRO A 23 -6.069 1.423 -3.027 1.00 13.44 H new ATOM 0 HD3 PRO A 23 -6.106 1.981 -4.688 1.00 13.44 H new ATOM 324 N PRO A 24 -6.667 -3.459 -5.206 1.00 32.32 N ATOM 325 CA PRO A 24 -6.951 -4.811 -4.732 1.00 14.15 C ATOM 326 C PRO A 24 -5.809 -5.415 -3.904 1.00 62.43 C ATOM 327 O PRO A 24 -4.723 -4.851 -3.783 1.00 35.21 O ATOM 328 CB PRO A 24 -7.207 -5.620 -6.009 1.00 1.15 C ATOM 329 CG PRO A 24 -6.274 -4.953 -7.012 1.00 55.33 C ATOM 330 CD PRO A 24 -6.402 -3.484 -6.638 1.00 23.34 C ATOM 0 HA PRO A 24 -7.802 -4.816 -4.051 1.00 14.15 H new ATOM 0 HB2 PRO A 24 -6.971 -6.676 -5.875 1.00 1.15 H new ATOM 0 HB3 PRO A 24 -8.249 -5.563 -6.324 1.00 1.15 H new ATOM 0 HG2 PRO A 24 -5.249 -5.310 -6.915 1.00 55.33 H new ATOM 0 HG3 PRO A 24 -6.581 -5.140 -8.041 1.00 55.33 H new ATOM 0 HD2 PRO A 24 -5.488 -2.939 -6.876 1.00 23.34 H new ATOM 0 HD3 PRO A 24 -7.210 -3.008 -7.193 1.00 23.34 H new ATOM 335 N THR A 25 -6.042 -6.596 -3.335 1.00 61.11 N ATOM 336 CA THR A 25 -5.151 -7.270 -2.395 1.00 20.42 C ATOM 337 C THR A 25 -5.154 -8.776 -2.688 1.00 31.21 C ATOM 338 O THR A 25 -6.137 -9.282 -3.242 1.00 42.23 O ATOM 339 CB THR A 25 -5.631 -6.972 -0.958 1.00 62.30 C ATOM 340 OG1 THR A 25 -7.032 -7.170 -0.845 1.00 42.10 O ATOM 341 CG2 THR A 25 -5.317 -5.533 -0.537 1.00 63.20 C ATOM 0 H THR A 25 -6.890 -7.130 -3.524 1.00 61.11 H new ATOM 0 HA THR A 25 -4.128 -6.908 -2.501 1.00 20.42 H new ATOM 0 HB THR A 25 -5.096 -7.661 -0.304 1.00 62.30 H new ATOM 0 HG1 THR A 25 -7.317 -6.978 0.073 1.00 42.10 H new ATOM 0 HG21 THR A 25 -5.672 -5.366 0.480 1.00 63.20 H new ATOM 0 HG22 THR A 25 -4.240 -5.369 -0.578 1.00 63.20 H new ATOM 0 HG23 THR A 25 -5.816 -4.839 -1.214 1.00 63.20 H new ATOM 349 N PRO A 26 -4.106 -9.525 -2.299 1.00 72.50 N ATOM 350 CA PRO A 26 -4.075 -10.974 -2.476 1.00 4.12 C ATOM 351 C PRO A 26 -5.129 -11.606 -1.563 1.00 1.43 C ATOM 352 O PRO A 26 -5.506 -11.027 -0.535 1.00 72.32 O ATOM 353 CB PRO A 26 -2.647 -11.402 -2.117 1.00 44.30 C ATOM 354 CG PRO A 26 -2.206 -10.334 -1.122 1.00 32.52 C ATOM 355 CD PRO A 26 -2.942 -9.069 -1.559 1.00 11.12 C ATOM 0 HA PRO A 26 -4.311 -11.294 -3.491 1.00 4.12 H new ATOM 0 HB2 PRO A 26 -2.624 -12.398 -1.676 1.00 44.30 H new ATOM 0 HB3 PRO A 26 -2.001 -11.427 -2.995 1.00 44.30 H new ATOM 0 HG2 PRO A 26 -2.468 -10.612 -0.101 1.00 32.52 H new ATOM 0 HG3 PRO A 26 -1.126 -10.192 -1.147 1.00 32.52 H new ATOM 0 HD2 PRO A 26 -3.236 -8.470 -0.697 1.00 11.12 H new ATOM 0 HD3 PRO A 26 -2.305 -8.441 -2.181 1.00 11.12 H new ATOM 360 N LYS A 27 -5.605 -12.804 -1.903 1.00 4.44 N ATOM 361 CA LYS A 27 -6.756 -13.435 -1.249 1.00 3.23 C ATOM 362 C LYS A 27 -6.397 -14.095 0.091 1.00 41.02 C ATOM 363 O LYS A 27 -6.740 -15.250 0.332 1.00 71.53 O ATOM 364 CB LYS A 27 -7.459 -14.393 -2.222 1.00 61.21 C ATOM 365 CG LYS A 27 -6.579 -15.535 -2.748 1.00 53.34 C ATOM 366 CD LYS A 27 -7.450 -16.645 -3.347 1.00 63.40 C ATOM 367 CE LYS A 27 -6.684 -17.966 -3.315 1.00 4.14 C ATOM 368 NZ LYS A 27 -7.431 -19.062 -3.952 1.00 33.21 N ATOM 0 H LYS A 27 -5.199 -13.371 -2.648 1.00 4.44 H new ATOM 0 HA LYS A 27 -7.464 -12.648 -0.987 1.00 3.23 H new ATOM 0 HB2 LYS A 27 -8.328 -14.823 -1.723 1.00 61.21 H new ATOM 0 HB3 LYS A 27 -7.831 -13.819 -3.071 1.00 61.21 H new ATOM 0 HG2 LYS A 27 -5.892 -15.155 -3.504 1.00 53.34 H new ATOM 0 HG3 LYS A 27 -5.971 -15.938 -1.938 1.00 53.34 H new ATOM 0 HD2 LYS A 27 -8.379 -16.737 -2.784 1.00 63.40 H new ATOM 0 HD3 LYS A 27 -7.722 -16.395 -4.372 1.00 63.40 H new ATOM 0 HE2 LYS A 27 -5.727 -17.840 -3.821 1.00 4.14 H new ATOM 0 HE3 LYS A 27 -6.466 -18.232 -2.281 1.00 4.14 H new ATOM 0 HZ1 LYS A 27 -6.871 -19.937 -3.905 1.00 33.21 H new ATOM 0 HZ2 LYS A 27 -8.334 -19.202 -3.455 1.00 33.21 H new ATOM 0 HZ3 LYS A 27 -7.617 -18.823 -4.947 1.00 33.21 H new ATOM 378 N ASN A 28 -5.636 -13.410 0.947 1.00 42.42 N ATOM 379 CA ASN A 28 -4.980 -14.022 2.078 1.00 3.01 C ATOM 380 C ASN A 28 -5.042 -13.179 3.330 1.00 1.02 C ATOM 381 O ASN A 28 -5.145 -13.758 4.408 1.00 44.24 O ATOM 382 CB ASN A 28 -3.517 -14.306 1.734 1.00 61.40 C ATOM 383 CG ASN A 28 -3.401 -15.506 0.819 1.00 11.33 C ATOM 384 OD1 ASN A 28 -3.346 -16.634 1.295 1.00 0.42 O ATOM 385 ND2 ASN A 28 -3.355 -15.319 -0.487 1.00 53.32 N ATOM 0 H ASN A 28 -5.464 -12.408 0.864 1.00 42.42 H new ATOM 0 HA ASN A 28 -5.516 -14.948 2.287 1.00 3.01 H new ATOM 0 HB2 ASN A 28 -3.076 -13.433 1.253 1.00 61.40 H new ATOM 0 HB3 ASN A 28 -2.952 -14.485 2.649 1.00 61.40 H new ATOM 0 HD21 ASN A 28 -3.273 -16.119 -1.114 1.00 53.32 H new ATOM 0 HD22 ASN A 28 -3.402 -14.374 -0.869 1.00 53.32 H new ATOM 391 N ILE A 29 -4.890 -11.855 3.240 1.00 75.13 N ATOM 392 CA ILE A 29 -4.810 -11.001 4.411 1.00 1.02 C ATOM 393 C ILE A 29 -5.468 -9.649 4.072 1.00 35.33 C ATOM 394 O ILE A 29 -5.628 -9.326 2.888 1.00 64.52 O ATOM 395 CB ILE A 29 -3.333 -10.873 4.874 1.00 44.22 C ATOM 396 CG1 ILE A 29 -2.450 -9.951 4.013 1.00 75.54 C ATOM 397 CG2 ILE A 29 -2.617 -12.219 5.071 1.00 31.45 C ATOM 398 CD1 ILE A 29 -2.286 -10.323 2.552 1.00 13.11 C ATOM 0 H ILE A 29 -4.820 -11.354 2.354 1.00 75.13 H new ATOM 0 HA ILE A 29 -5.352 -11.430 5.253 1.00 1.02 H new ATOM 0 HB ILE A 29 -3.451 -10.394 5.846 1.00 44.22 H new ATOM 0 HG12 ILE A 29 -2.863 -8.944 4.062 1.00 75.54 H new ATOM 0 HG13 ILE A 29 -1.459 -9.911 4.466 1.00 75.54 H new ATOM 0 HG21 ILE A 29 -1.591 -12.042 5.394 1.00 31.45 H new ATOM 0 HG22 ILE A 29 -3.141 -12.802 5.829 1.00 31.45 H new ATOM 0 HG23 ILE A 29 -2.611 -12.769 4.130 1.00 31.45 H new ATOM 0 HD11 ILE A 29 -1.642 -9.593 2.061 1.00 13.11 H new ATOM 0 HD12 ILE A 29 -1.836 -11.313 2.477 1.00 13.11 H new ATOM 0 HD13 ILE A 29 -3.262 -10.330 2.067 1.00 13.11 H new ATOM 409 N PRO A 30 -5.849 -8.844 5.074 1.00 15.42 N ATOM 410 CA PRO A 30 -6.424 -7.520 4.852 1.00 51.42 C ATOM 411 C PRO A 30 -5.345 -6.515 4.412 1.00 75.23 C ATOM 412 O PRO A 30 -4.151 -6.777 4.559 1.00 61.20 O ATOM 413 CB PRO A 30 -7.069 -7.152 6.191 1.00 21.33 C ATOM 414 CG PRO A 30 -6.256 -7.920 7.230 1.00 71.42 C ATOM 415 CD PRO A 30 -5.840 -9.183 6.489 1.00 41.00 C ATOM 0 HA PRO A 30 -7.157 -7.506 4.046 1.00 51.42 H new ATOM 0 HB2 PRO A 30 -7.028 -6.078 6.370 1.00 21.33 H new ATOM 0 HB3 PRO A 30 -8.120 -7.439 6.218 1.00 21.33 H new ATOM 0 HG2 PRO A 30 -5.391 -7.348 7.566 1.00 71.42 H new ATOM 0 HG3 PRO A 30 -6.850 -8.150 8.115 1.00 71.42 H new ATOM 0 HD2 PRO A 30 -4.850 -9.511 6.805 1.00 41.00 H new ATOM 0 HD3 PRO A 30 -6.529 -10.002 6.698 1.00 41.00 H new ATOM 420 N LEU A 31 -5.741 -5.329 3.939 1.00 55.31 N ATOM 421 CA LEU A 31 -4.832 -4.209 3.652 1.00 73.33 C ATOM 422 C LEU A 31 -3.877 -3.928 4.828 1.00 62.34 C ATOM 423 O LEU A 31 -2.662 -3.956 4.618 1.00 34.31 O ATOM 424 CB LEU A 31 -5.636 -2.975 3.194 1.00 72.42 C ATOM 425 CG LEU A 31 -4.829 -1.718 2.801 1.00 4.04 C ATOM 426 CD1 LEU A 31 -4.445 -0.853 4.003 1.00 55.21 C ATOM 427 CD2 LEU A 31 -3.562 -2.020 1.995 1.00 73.23 C ATOM 0 H LEU A 31 -6.718 -5.114 3.741 1.00 55.31 H new ATOM 0 HA LEU A 31 -4.181 -4.486 2.823 1.00 73.33 H new ATOM 0 HB2 LEU A 31 -6.246 -3.267 2.339 1.00 72.42 H new ATOM 0 HB3 LEU A 31 -6.321 -2.700 3.996 1.00 72.42 H new ATOM 0 HG LEU A 31 -5.519 -1.165 2.163 1.00 4.04 H new ATOM 0 HD11 LEU A 31 -3.880 0.014 3.661 1.00 55.21 H new ATOM 0 HD12 LEU A 31 -5.348 -0.519 4.514 1.00 55.21 H new ATOM 0 HD13 LEU A 31 -3.833 -1.437 4.691 1.00 55.21 H new ATOM 0 HD21 LEU A 31 -3.051 -1.087 1.757 1.00 73.23 H new ATOM 0 HD22 LEU A 31 -2.900 -2.657 2.582 1.00 73.23 H new ATOM 0 HD23 LEU A 31 -3.832 -2.531 1.071 1.00 73.23 H new ATOM 438 N PRO A 32 -4.350 -3.729 6.075 1.00 34.52 N ATOM 439 CA PRO A 32 -3.490 -3.571 7.253 1.00 21.52 C ATOM 440 C PRO A 32 -2.595 -4.782 7.599 1.00 2.05 C ATOM 441 O PRO A 32 -1.946 -4.768 8.645 1.00 52.03 O ATOM 442 CB PRO A 32 -4.412 -3.147 8.404 1.00 23.14 C ATOM 443 CG PRO A 32 -5.805 -3.574 7.958 1.00 61.30 C ATOM 444 CD PRO A 32 -5.732 -3.438 6.441 1.00 43.13 C ATOM 0 HA PRO A 32 -2.738 -2.810 7.041 1.00 21.52 H new ATOM 0 HB2 PRO A 32 -4.129 -3.632 9.338 1.00 23.14 H new ATOM 0 HB3 PRO A 32 -4.363 -2.072 8.576 1.00 23.14 H new ATOM 0 HG2 PRO A 32 -6.031 -4.596 8.262 1.00 61.30 H new ATOM 0 HG3 PRO A 32 -6.579 -2.936 8.384 1.00 61.30 H new ATOM 0 HD2 PRO A 32 -6.418 -4.131 5.954 1.00 43.13 H new ATOM 0 HD3 PRO A 32 -6.016 -2.434 6.126 1.00 43.13 H new ATOM 449 N ALA A 33 -2.554 -5.836 6.782 1.00 20.13 N ATOM 450 CA ALA A 33 -1.617 -6.951 6.880 1.00 42.32 C ATOM 451 C ALA A 33 -0.739 -7.050 5.636 1.00 4.31 C ATOM 452 O ALA A 33 0.461 -7.292 5.774 1.00 1.03 O ATOM 453 CB ALA A 33 -2.398 -8.231 7.115 1.00 13.02 C ATOM 0 H ALA A 33 -3.202 -5.938 6.001 1.00 20.13 H new ATOM 0 HA ALA A 33 -0.945 -6.784 7.722 1.00 42.32 H new ATOM 0 HB1 ALA A 33 -1.707 -9.070 7.190 1.00 13.02 H new ATOM 0 HB2 ALA A 33 -2.966 -8.146 8.041 1.00 13.02 H new ATOM 0 HB3 ALA A 33 -3.082 -8.398 6.283 1.00 13.02 H new ATOM 459 N PHE A 34 -1.297 -6.807 4.441 1.00 11.13 N ATOM 460 CA PHE A 34 -0.585 -6.939 3.166 1.00 11.11 C ATOM 461 C PHE A 34 0.617 -5.986 3.039 1.00 75.55 C ATOM 462 O PHE A 34 1.418 -6.109 2.116 1.00 12.10 O ATOM 463 CB PHE A 34 -1.557 -6.773 1.976 1.00 14.24 C ATOM 464 CG PHE A 34 -0.921 -6.996 0.607 1.00 60.40 C ATOM 465 CD1 PHE A 34 -0.004 -8.051 0.412 1.00 2.45 C ATOM 466 CD2 PHE A 34 -1.145 -6.085 -0.446 1.00 31.33 C ATOM 467 CE1 PHE A 34 0.759 -8.114 -0.766 1.00 2.01 C ATOM 468 CE2 PHE A 34 -0.433 -6.194 -1.650 1.00 64.21 C ATOM 469 CZ PHE A 34 0.560 -7.174 -1.791 1.00 31.52 C ATOM 0 H PHE A 34 -2.267 -6.510 4.334 1.00 11.13 H new ATOM 0 HA PHE A 34 -0.173 -7.948 3.145 1.00 11.11 H new ATOM 0 HB2 PHE A 34 -2.384 -7.473 2.097 1.00 14.24 H new ATOM 0 HB3 PHE A 34 -1.982 -5.770 2.007 1.00 14.24 H new ATOM 0 HD1 PHE A 34 0.111 -8.812 1.170 1.00 2.45 H new ATOM 0 HD2 PHE A 34 -1.872 -5.296 -0.324 1.00 31.33 H new ATOM 0 HE1 PHE A 34 1.502 -8.889 -0.884 1.00 2.01 H new ATOM 0 HE2 PHE A 34 -0.650 -5.523 -2.468 1.00 64.21 H new ATOM 0 HZ PHE A 34 1.169 -7.206 -2.683 1.00 31.52 H new ATOM 478 N GLY A 35 0.773 -5.053 3.968 1.00 23.11 N ATOM 479 CA GLY A 35 1.930 -4.199 4.096 1.00 14.22 C ATOM 480 C GLY A 35 2.733 -4.591 5.326 1.00 21.53 C ATOM 481 O GLY A 35 3.878 -5.019 5.189 1.00 12.21 O ATOM 0 H GLY A 35 0.064 -4.869 4.678 1.00 23.11 H new ATOM 0 HA2 GLY A 35 2.552 -4.280 3.205 1.00 14.22 H new ATOM 0 HA3 GLY A 35 1.617 -3.158 4.173 1.00 14.22 H new ATOM 485 N GLN A 36 2.153 -4.457 6.527 1.00 35.42 N ATOM 486 CA GLN A 36 2.913 -4.471 7.786 1.00 13.41 C ATOM 487 C GLN A 36 3.812 -5.702 7.949 1.00 55.15 C ATOM 488 O GLN A 36 4.914 -5.590 8.489 1.00 52.21 O ATOM 489 CB GLN A 36 2.007 -4.336 9.024 1.00 0.11 C ATOM 490 CG GLN A 36 0.965 -3.216 8.960 1.00 34.22 C ATOM 491 CD GLN A 36 0.311 -2.926 10.314 1.00 63.14 C ATOM 492 OE1 GLN A 36 0.608 -3.535 11.342 1.00 24.11 O ATOM 493 NE2 GLN A 36 -0.591 -1.961 10.345 1.00 11.04 N ATOM 0 H GLN A 36 1.148 -4.336 6.654 1.00 35.42 H new ATOM 0 HA GLN A 36 3.557 -3.594 7.719 1.00 13.41 H new ATOM 0 HB2 GLN A 36 1.489 -5.282 9.178 1.00 0.11 H new ATOM 0 HB3 GLN A 36 2.638 -4.172 9.898 1.00 0.11 H new ATOM 0 HG2 GLN A 36 1.440 -2.307 8.590 1.00 34.22 H new ATOM 0 HG3 GLN A 36 0.192 -3.487 8.241 1.00 34.22 H new ATOM 0 HE21 GLN A 36 -0.832 -1.461 9.489 1.00 11.04 H new ATOM 0 HE22 GLN A 36 -1.046 -1.716 11.224 1.00 11.04 H new ATOM 500 N ARG A 37 3.369 -6.868 7.468 1.00 74.44 N ATOM 501 CA ARG A 37 4.066 -8.138 7.674 1.00 44.44 C ATOM 502 C ARG A 37 4.629 -8.735 6.387 1.00 40.13 C ATOM 503 O ARG A 37 5.159 -9.843 6.415 1.00 1.01 O ATOM 504 CB ARG A 37 3.129 -9.104 8.414 1.00 40.34 C ATOM 505 CG ARG A 37 2.846 -8.587 9.834 1.00 72.35 C ATOM 506 CD ARG A 37 2.454 -9.744 10.759 1.00 40.24 C ATOM 507 NE ARG A 37 2.441 -9.361 12.182 1.00 22.33 N ATOM 508 CZ ARG A 37 3.521 -9.161 12.950 1.00 34.21 C ATOM 509 NH1 ARG A 37 4.747 -9.234 12.440 1.00 13.04 N ATOM 510 NH2 ARG A 37 3.372 -8.915 14.243 1.00 2.10 N ATOM 0 H ARG A 37 2.512 -6.956 6.922 1.00 74.44 H new ATOM 0 HA ARG A 37 4.946 -7.951 8.290 1.00 44.44 H new ATOM 0 HB2 ARG A 37 2.194 -9.208 7.864 1.00 40.34 H new ATOM 0 HB3 ARG A 37 3.581 -10.094 8.463 1.00 40.34 H new ATOM 0 HG2 ARG A 37 3.729 -8.083 10.227 1.00 72.35 H new ATOM 0 HG3 ARG A 37 2.044 -7.849 9.805 1.00 72.35 H new ATOM 0 HD2 ARG A 37 1.466 -10.109 10.477 1.00 40.24 H new ATOM 0 HD3 ARG A 37 3.152 -10.569 10.616 1.00 40.24 H new ATOM 0 HE ARG A 37 1.529 -9.237 12.622 1.00 22.33 H new ATOM 0 HH11 ARG A 37 4.876 -9.445 11.450 1.00 13.04 H new ATOM 0 HH12 ARG A 37 5.558 -9.079 13.038 1.00 13.04 H new ATOM 0 HH21 ARG A 37 2.438 -8.878 14.651 1.00 2.10 H new ATOM 0 HH22 ARG A 37 4.191 -8.762 14.831 1.00 2.10 H new ATOM 521 N ILE A 38 4.525 -8.020 5.267 1.00 71.14 N ATOM 522 CA ILE A 38 4.885 -8.515 3.938 1.00 21.30 C ATOM 523 C ILE A 38 5.915 -7.573 3.317 1.00 31.21 C ATOM 524 O ILE A 38 6.897 -8.033 2.742 1.00 74.11 O ATOM 525 CB ILE A 38 3.614 -8.647 3.068 1.00 61.52 C ATOM 526 CG1 ILE A 38 2.459 -9.415 3.751 1.00 23.33 C ATOM 527 CG2 ILE A 38 3.926 -9.260 1.693 1.00 62.43 C ATOM 528 CD1 ILE A 38 2.715 -10.900 4.024 1.00 55.11 C ATOM 0 H ILE A 38 4.181 -7.060 5.258 1.00 71.14 H new ATOM 0 HA ILE A 38 5.334 -9.506 4.007 1.00 21.30 H new ATOM 0 HB ILE A 38 3.263 -7.624 2.929 1.00 61.52 H new ATOM 0 HG12 ILE A 38 2.232 -8.925 4.698 1.00 23.33 H new ATOM 0 HG13 ILE A 38 1.570 -9.328 3.126 1.00 23.33 H new ATOM 0 HG21 ILE A 38 3.007 -9.336 1.112 1.00 62.43 H new ATOM 0 HG22 ILE A 38 4.638 -8.626 1.165 1.00 62.43 H new ATOM 0 HG23 ILE A 38 4.354 -10.253 1.826 1.00 62.43 H new ATOM 0 HD11 ILE A 38 1.840 -11.338 4.505 1.00 55.11 H new ATOM 0 HD12 ILE A 38 2.908 -11.415 3.083 1.00 55.11 H new ATOM 0 HD13 ILE A 38 3.580 -11.006 4.679 1.00 55.11 H new ATOM 539 N ILE A 39 5.708 -6.267 3.473 1.00 40.12 N ATOM 540 CA ILE A 39 6.522 -5.171 2.955 1.00 75.15 C ATOM 541 C ILE A 39 7.353 -4.567 4.107 1.00 32.52 C ATOM 542 O ILE A 39 8.185 -3.690 3.901 1.00 21.40 O ATOM 543 CB ILE A 39 5.568 -4.136 2.292 1.00 35.54 C ATOM 544 CG1 ILE A 39 4.488 -4.771 1.378 1.00 20.52 C ATOM 545 CG2 ILE A 39 6.314 -3.060 1.490 1.00 73.45 C ATOM 546 CD1 ILE A 39 4.996 -5.550 0.159 1.00 32.41 C ATOM 0 H ILE A 39 4.908 -5.923 4.004 1.00 40.12 H new ATOM 0 HA ILE A 39 7.229 -5.513 2.200 1.00 75.15 H new ATOM 0 HB ILE A 39 5.069 -3.672 3.143 1.00 35.54 H new ATOM 0 HG12 ILE A 39 3.881 -5.443 1.984 1.00 20.52 H new ATOM 0 HG13 ILE A 39 3.830 -3.977 1.026 1.00 20.52 H new ATOM 0 HG21 ILE A 39 5.594 -2.368 1.052 1.00 73.45 H new ATOM 0 HG22 ILE A 39 6.986 -2.514 2.152 1.00 73.45 H new ATOM 0 HG23 ILE A 39 6.892 -3.533 0.696 1.00 73.45 H new ATOM 0 HD11 ILE A 39 4.148 -5.945 -0.400 1.00 32.41 H new ATOM 0 HD12 ILE A 39 5.575 -4.885 -0.482 1.00 32.41 H new ATOM 0 HD13 ILE A 39 5.627 -6.374 0.491 1.00 32.41 H new ATOM 557 N GLY A 40 7.110 -4.990 5.355 1.00 14.43 N ATOM 558 CA GLY A 40 7.909 -4.598 6.514 1.00 63.55 C ATOM 559 C GLY A 40 7.814 -3.114 6.866 1.00 60.25 C ATOM 560 O GLY A 40 8.512 -2.639 7.757 1.00 2.31 O ATOM 0 H GLY A 40 6.343 -5.621 5.586 1.00 14.43 H new ATOM 0 HA2 GLY A 40 7.592 -5.186 7.376 1.00 63.55 H new ATOM 0 HA3 GLY A 40 8.953 -4.849 6.324 1.00 63.55 H new ATOM 564 N TRP A 41 6.939 -2.366 6.193 1.00 24.11 N ATOM 565 CA TRP A 41 6.859 -0.910 6.173 1.00 33.24 C ATOM 566 C TRP A 41 6.292 -0.282 7.456 1.00 41.03 C ATOM 567 O TRP A 41 5.718 0.814 7.399 1.00 71.25 O ATOM 568 CB TRP A 41 6.038 -0.525 4.935 1.00 64.22 C ATOM 569 CG TRP A 41 4.562 -0.808 4.974 1.00 22.40 C ATOM 570 CD1 TRP A 41 3.877 -1.411 5.969 1.00 35.12 C ATOM 571 CD2 TRP A 41 3.559 -0.464 3.983 1.00 34.51 C ATOM 572 NE1 TRP A 41 2.525 -1.337 5.730 1.00 73.33 N ATOM 573 CE2 TRP A 41 2.267 -0.781 4.500 1.00 32.12 C ATOM 574 CE3 TRP A 41 3.622 0.080 2.692 1.00 20.13 C ATOM 575 CZ2 TRP A 41 1.088 -0.573 3.772 1.00 2.44 C ATOM 576 CZ3 TRP A 41 2.449 0.278 1.950 1.00 20.44 C ATOM 577 CH2 TRP A 41 1.185 -0.026 2.486 1.00 4.03 C ATOM 0 H TRP A 41 6.220 -2.793 5.609 1.00 24.11 H new ATOM 0 HA TRP A 41 7.870 -0.506 6.123 1.00 33.24 H new ATOM 0 HB2 TRP A 41 6.173 0.542 4.759 1.00 64.22 H new ATOM 0 HB3 TRP A 41 6.459 -1.046 4.075 1.00 64.22 H new ATOM 0 HD1 TRP A 41 4.327 -1.884 6.830 1.00 35.12 H new ATOM 0 HE1 TRP A 41 1.807 -1.654 6.381 1.00 73.33 H new ATOM 0 HE3 TRP A 41 4.578 0.348 2.267 1.00 20.13 H new ATOM 0 HZ2 TRP A 41 0.127 -0.828 4.193 1.00 2.44 H new ATOM 0 HZ3 TRP A 41 2.518 0.672 0.947 1.00 20.44 H new ATOM 0 HH2 TRP A 41 0.292 0.162 1.908 1.00 4.03 H new ATOM 587 N GLY A 42 6.381 -0.990 8.584 1.00 51.22 N ATOM 588 CA GLY A 42 5.673 -0.727 9.823 1.00 15.32 C ATOM 589 C GLY A 42 4.227 -0.425 9.497 1.00 64.41 C ATOM 590 O GLY A 42 3.543 -1.318 9.010 1.00 31.24 O ATOM 0 H GLY A 42 6.986 -1.808 8.653 1.00 51.22 H new ATOM 0 HA2 GLY A 42 5.739 -1.589 10.487 1.00 15.32 H new ATOM 0 HA3 GLY A 42 6.127 0.114 10.347 1.00 15.32 H new ATOM 594 N THR A 43 3.802 0.830 9.639 1.00 33.11 N ATOM 595 CA THR A 43 2.577 1.321 8.991 1.00 31.14 C ATOM 596 C THR A 43 2.487 2.853 8.908 1.00 23.24 C ATOM 597 O THR A 43 1.456 3.406 8.529 1.00 42.01 O ATOM 598 CB THR A 43 1.344 0.651 9.660 1.00 20.20 C ATOM 599 OG1 THR A 43 0.127 0.812 8.943 1.00 53.31 O ATOM 600 CG2 THR A 43 1.163 1.035 11.123 1.00 63.52 C ATOM 0 H THR A 43 4.287 1.531 10.199 1.00 33.11 H new ATOM 0 HA THR A 43 2.601 1.023 7.943 1.00 31.14 H new ATOM 0 HB THR A 43 1.586 -0.411 9.626 1.00 20.20 H new ATOM 0 HG1 THR A 43 0.099 1.706 8.543 1.00 53.31 H new ATOM 0 HG21 THR A 43 0.284 0.531 11.525 1.00 63.52 H new ATOM 0 HG22 THR A 43 2.044 0.735 11.690 1.00 63.52 H new ATOM 0 HG23 THR A 43 1.031 2.114 11.202 1.00 63.52 H new ATOM 608 N GLY A 44 3.586 3.560 9.150 1.00 15.22 N ATOM 609 CA GLY A 44 3.509 4.952 9.603 1.00 13.33 C ATOM 610 C GLY A 44 4.645 5.852 9.139 1.00 24.42 C ATOM 611 O GLY A 44 5.239 6.528 9.974 1.00 15.12 O ATOM 0 H GLY A 44 4.534 3.200 9.043 1.00 15.22 H new ATOM 0 HA2 GLY A 44 2.567 5.377 9.258 1.00 13.33 H new ATOM 0 HA3 GLY A 44 3.483 4.961 10.693 1.00 13.33 H new ATOM 615 N ALA A 45 4.922 5.908 7.831 1.00 41.24 N ATOM 616 CA ALA A 45 5.944 6.744 7.175 1.00 33.20 C ATOM 617 C ALA A 45 7.363 6.278 7.528 1.00 12.40 C ATOM 618 O ALA A 45 8.103 5.812 6.667 1.00 74.21 O ATOM 619 CB ALA A 45 5.761 8.243 7.478 1.00 4.30 C ATOM 0 H ALA A 45 4.410 5.338 7.158 1.00 41.24 H new ATOM 0 HA ALA A 45 5.805 6.618 6.101 1.00 33.20 H new ATOM 0 HB1 ALA A 45 6.539 8.814 6.971 1.00 4.30 H new ATOM 0 HB2 ALA A 45 4.783 8.569 7.124 1.00 4.30 H new ATOM 0 HB3 ALA A 45 5.832 8.408 8.553 1.00 4.30 H new ATOM 625 N GLU A 46 7.745 6.389 8.797 1.00 73.15 N ATOM 626 CA GLU A 46 8.961 5.868 9.412 1.00 3.04 C ATOM 627 C GLU A 46 9.112 4.397 9.079 1.00 23.10 C ATOM 628 O GLU A 46 10.089 4.014 8.443 1.00 61.31 O ATOM 629 CB GLU A 46 8.854 6.083 10.928 1.00 5.41 C ATOM 630 CG GLU A 46 9.675 7.300 11.353 1.00 61.24 C ATOM 631 CD GLU A 46 11.094 6.936 11.791 1.00 52.43 C ATOM 632 OE1 GLU A 46 11.614 5.875 11.388 1.00 14.42 O ATOM 633 OE2 GLU A 46 11.655 7.716 12.592 1.00 2.23 O ATOM 0 H GLU A 46 7.166 6.885 9.475 1.00 73.15 H new ATOM 0 HA GLU A 46 9.841 6.387 9.032 1.00 3.04 H new ATOM 0 HB2 GLU A 46 7.810 6.224 11.209 1.00 5.41 H new ATOM 0 HB3 GLU A 46 9.208 5.196 11.453 1.00 5.41 H new ATOM 0 HG2 GLU A 46 9.726 8.006 10.524 1.00 61.24 H new ATOM 0 HG3 GLU A 46 9.166 7.807 12.172 1.00 61.24 H new ATOM 638 N GLY A 47 8.089 3.603 9.407 1.00 53.41 N ATOM 639 CA GLY A 47 8.046 2.183 9.117 1.00 31.32 C ATOM 640 C GLY A 47 8.509 1.873 7.689 1.00 4.11 C ATOM 641 O GLY A 47 9.273 0.931 7.485 1.00 71.23 O ATOM 0 H GLY A 47 7.257 3.943 9.890 1.00 53.41 H new ATOM 0 HA2 GLY A 47 8.678 1.649 9.827 1.00 31.32 H new ATOM 0 HA3 GLY A 47 7.029 1.815 9.256 1.00 31.32 H new ATOM 645 N ALA A 48 8.029 2.644 6.707 1.00 54.32 N ATOM 646 CA ALA A 48 8.379 2.492 5.307 1.00 52.31 C ATOM 647 C ALA A 48 9.814 2.949 5.041 1.00 61.11 C ATOM 648 O ALA A 48 10.519 2.256 4.316 1.00 44.03 O ATOM 649 CB ALA A 48 7.373 3.258 4.436 1.00 61.54 C ATOM 0 H ALA A 48 7.372 3.406 6.877 1.00 54.32 H new ATOM 0 HA ALA A 48 8.330 1.435 5.045 1.00 52.31 H new ATOM 0 HB1 ALA A 48 7.639 3.142 3.385 1.00 61.54 H new ATOM 0 HB2 ALA A 48 6.371 2.862 4.603 1.00 61.54 H new ATOM 0 HB3 ALA A 48 7.394 4.315 4.701 1.00 61.54 H new ATOM 655 N ARG A 49 10.268 4.079 5.598 1.00 51.15 N ATOM 656 CA ARG A 49 11.615 4.601 5.350 1.00 23.22 C ATOM 657 C ARG A 49 12.658 3.541 5.682 1.00 34.50 C ATOM 658 O ARG A 49 13.550 3.298 4.874 1.00 15.11 O ATOM 659 CB ARG A 49 11.842 5.900 6.152 1.00 54.04 C ATOM 660 CG ARG A 49 13.159 6.629 5.807 1.00 3.44 C ATOM 661 CD ARG A 49 14.343 6.165 6.669 1.00 4.24 C ATOM 662 NE ARG A 49 15.619 6.807 6.298 1.00 54.45 N ATOM 663 CZ ARG A 49 16.673 6.935 7.118 1.00 72.34 C ATOM 664 NH1 ARG A 49 16.681 6.354 8.315 1.00 20.53 N ATOM 665 NH2 ARG A 49 17.716 7.659 6.733 1.00 43.33 N ATOM 0 H ARG A 49 9.713 4.654 6.231 1.00 51.15 H new ATOM 0 HA ARG A 49 11.717 4.846 4.293 1.00 23.22 H new ATOM 0 HB2 ARG A 49 11.006 6.576 5.972 1.00 54.04 H new ATOM 0 HB3 ARG A 49 11.838 5.663 7.216 1.00 54.04 H new ATOM 0 HG2 ARG A 49 13.395 6.464 4.756 1.00 3.44 H new ATOM 0 HG3 ARG A 49 13.019 7.702 5.938 1.00 3.44 H new ATOM 0 HD2 ARG A 49 14.127 6.378 7.716 1.00 4.24 H new ATOM 0 HD3 ARG A 49 14.448 5.084 6.579 1.00 4.24 H new ATOM 0 HE ARG A 49 15.706 7.179 5.352 1.00 54.45 H new ATOM 0 HH11 ARG A 49 15.879 5.803 8.620 1.00 20.53 H new ATOM 0 HH12 ARG A 49 17.489 6.460 8.928 1.00 20.53 H new ATOM 0 HH21 ARG A 49 17.712 8.113 5.820 1.00 43.33 H new ATOM 0 HH22 ARG A 49 18.521 7.761 7.350 1.00 43.33 H new ATOM 676 N GLN A 50 12.525 2.888 6.835 1.00 1.23 N ATOM 677 CA GLN A 50 13.537 1.988 7.359 1.00 2.04 C ATOM 678 C GLN A 50 13.553 0.649 6.619 1.00 20.11 C ATOM 679 O GLN A 50 14.429 -0.166 6.879 1.00 1.43 O ATOM 680 CB GLN A 50 13.338 1.783 8.866 1.00 72.45 C ATOM 681 CG GLN A 50 13.156 3.058 9.705 1.00 41.04 C ATOM 682 CD GLN A 50 14.245 4.127 9.600 1.00 23.14 C ATOM 683 OE1 GLN A 50 15.295 3.969 8.990 1.00 2.04 O ATOM 684 NE2 GLN A 50 14.002 5.295 10.160 1.00 22.40 N ATOM 0 H GLN A 50 11.703 2.973 7.433 1.00 1.23 H new ATOM 0 HA GLN A 50 14.510 2.452 7.195 1.00 2.04 H new ATOM 0 HB2 GLN A 50 12.464 1.148 9.013 1.00 72.45 H new ATOM 0 HB3 GLN A 50 14.198 1.237 9.254 1.00 72.45 H new ATOM 0 HG2 GLN A 50 12.207 3.514 9.424 1.00 41.04 H new ATOM 0 HG3 GLN A 50 13.071 2.764 10.751 1.00 41.04 H new ATOM 0 HE21 GLN A 50 13.132 5.444 10.672 1.00 22.40 H new ATOM 0 HE22 GLN A 50 14.683 6.050 10.081 1.00 22.40 H new ATOM 691 N ARG A 51 12.649 0.413 5.658 1.00 32.30 N ATOM 692 CA ARG A 51 12.784 -0.696 4.706 1.00 44.01 C ATOM 693 C ARG A 51 13.013 -0.232 3.264 1.00 31.54 C ATOM 694 O ARG A 51 13.530 -0.993 2.454 1.00 53.05 O ATOM 695 CB ARG A 51 11.597 -1.671 4.824 1.00 54.01 C ATOM 696 CG ARG A 51 11.637 -2.573 6.072 1.00 51.02 C ATOM 697 CD ARG A 51 12.859 -3.506 6.081 1.00 61.32 C ATOM 698 NE ARG A 51 12.677 -4.664 6.969 1.00 44.14 N ATOM 699 CZ ARG A 51 13.007 -4.749 8.262 1.00 32.22 C ATOM 700 NH1 ARG A 51 13.504 -3.702 8.905 1.00 43.41 N ATOM 701 NH2 ARG A 51 12.816 -5.885 8.933 1.00 44.25 N ATOM 0 H ARG A 51 11.812 0.980 5.520 1.00 32.30 H new ATOM 0 HA ARG A 51 13.690 -1.237 4.980 1.00 44.01 H new ATOM 0 HB2 ARG A 51 10.671 -1.097 4.835 1.00 54.01 H new ATOM 0 HB3 ARG A 51 11.571 -2.302 3.935 1.00 54.01 H new ATOM 0 HG2 ARG A 51 11.652 -1.951 6.967 1.00 51.02 H new ATOM 0 HG3 ARG A 51 10.726 -3.171 6.115 1.00 51.02 H new ATOM 0 HD2 ARG A 51 13.052 -3.857 5.067 1.00 61.32 H new ATOM 0 HD3 ARG A 51 13.738 -2.945 6.397 1.00 61.32 H new ATOM 0 HE ARG A 51 12.253 -5.493 6.553 1.00 44.14 H new ATOM 0 HH11 ARG A 51 13.639 -2.818 8.413 1.00 43.41 H new ATOM 0 HH12 ARG A 51 13.752 -3.780 9.891 1.00 43.41 H new ATOM 0 HH21 ARG A 51 12.416 -6.696 8.460 1.00 44.25 H new ATOM 0 HH22 ARG A 51 13.070 -5.944 9.919 1.00 44.25 H new ATOM 712 N LEU A 52 12.654 1.006 2.933 1.00 11.04 N ATOM 713 CA LEU A 52 12.780 1.608 1.612 1.00 52.41 C ATOM 714 C LEU A 52 14.239 1.736 1.201 1.00 54.12 C ATOM 715 O LEU A 52 14.644 1.259 0.142 1.00 73.35 O ATOM 716 CB LEU A 52 12.148 3.013 1.679 1.00 13.34 C ATOM 717 CG LEU A 52 12.483 3.968 0.510 1.00 2.24 C ATOM 718 CD1 LEU A 52 11.923 3.450 -0.801 1.00 73.11 C ATOM 719 CD2 LEU A 52 11.889 5.354 0.777 1.00 61.24 C ATOM 0 H LEU A 52 12.247 1.647 3.614 1.00 11.04 H new ATOM 0 HA LEU A 52 12.279 0.978 0.877 1.00 52.41 H new ATOM 0 HB2 LEU A 52 11.065 2.900 1.729 1.00 13.34 H new ATOM 0 HB3 LEU A 52 12.463 3.486 2.609 1.00 13.34 H new ATOM 0 HG LEU A 52 13.569 4.028 0.436 1.00 2.24 H new ATOM 0 HD11 LEU A 52 12.175 4.143 -1.604 1.00 73.11 H new ATOM 0 HD12 LEU A 52 12.352 2.472 -1.019 1.00 73.11 H new ATOM 0 HD13 LEU A 52 10.839 3.362 -0.724 1.00 73.11 H new ATOM 0 HD21 LEU A 52 12.130 6.019 -0.052 1.00 61.24 H new ATOM 0 HD22 LEU A 52 10.806 5.273 0.874 1.00 61.24 H new ATOM 0 HD23 LEU A 52 12.307 5.757 1.699 1.00 61.24 H new ATOM 730 N GLU A 53 15.003 2.506 1.975 1.00 42.04 N ATOM 731 CA GLU A 53 16.206 3.161 1.451 1.00 21.14 C ATOM 732 C GLU A 53 17.361 2.182 1.286 1.00 33.21 C ATOM 733 O GLU A 53 18.395 2.520 0.715 1.00 12.03 O ATOM 734 CB GLU A 53 16.594 4.368 2.325 1.00 51.42 C ATOM 735 CG GLU A 53 15.408 5.212 2.835 1.00 1.00 C ATOM 736 CD GLU A 53 15.652 6.710 2.733 1.00 55.12 C ATOM 737 OE1 GLU A 53 16.448 7.260 3.529 1.00 33.42 O ATOM 738 OE2 GLU A 53 15.045 7.341 1.836 1.00 31.12 O ATOM 0 H GLU A 53 14.814 2.692 2.960 1.00 42.04 H new ATOM 0 HA GLU A 53 15.974 3.534 0.454 1.00 21.14 H new ATOM 0 HB2 GLU A 53 17.160 4.008 3.184 1.00 51.42 H new ATOM 0 HB3 GLU A 53 17.260 5.013 1.752 1.00 51.42 H new ATOM 0 HG2 GLU A 53 14.516 4.956 2.264 1.00 1.00 H new ATOM 0 HG3 GLU A 53 15.206 4.953 3.874 1.00 1.00 H new ATOM 743 N ASN A 54 17.138 0.964 1.758 1.00 53.24 N ATOM 744 CA ASN A 54 18.107 -0.026 2.156 1.00 2.12 C ATOM 745 C ASN A 54 17.576 -1.429 1.822 1.00 23.20 C ATOM 746 O ASN A 54 18.051 -2.430 2.366 1.00 20.32 O ATOM 747 CB ASN A 54 18.417 0.165 3.658 1.00 74.32 C ATOM 748 CG ASN A 54 17.219 0.674 4.456 1.00 43.33 C ATOM 749 OD1 ASN A 54 17.089 1.873 4.693 1.00 72.11 O ATOM 750 ND2 ASN A 54 16.263 -0.175 4.758 1.00 52.13 N ATOM 0 H ASN A 54 16.185 0.621 1.880 1.00 53.24 H new ATOM 0 HA ASN A 54 19.042 0.091 1.609 1.00 2.12 H new ATOM 0 HB2 ASN A 54 18.749 -0.784 4.078 1.00 74.32 H new ATOM 0 HB3 ASN A 54 19.243 0.868 3.766 1.00 74.32 H new ATOM 0 HD21 ASN A 54 15.403 0.159 5.193 1.00 52.13 H new ATOM 0 HD22 ASN A 54 16.381 -1.168 4.557 1.00 52.13 H new ATOM 756 N ILE A 55 16.579 -1.497 0.930 1.00 73.32 N ATOM 757 CA ILE A 55 15.984 -2.721 0.407 1.00 32.32 C ATOM 758 C ILE A 55 17.079 -3.586 -0.237 1.00 64.44 C ATOM 759 O ILE A 55 18.137 -3.069 -0.611 1.00 63.42 O ATOM 760 CB ILE A 55 14.871 -2.326 -0.595 1.00 55.25 C ATOM 761 CG1 ILE A 55 13.783 -3.406 -0.739 1.00 11.31 C ATOM 762 CG2 ILE A 55 15.462 -2.030 -1.986 1.00 35.34 C ATOM 763 CD1 ILE A 55 12.687 -3.298 0.321 1.00 11.04 C ATOM 0 H ILE A 55 16.150 -0.658 0.539 1.00 73.32 H new ATOM 0 HA ILE A 55 15.533 -3.317 1.200 1.00 32.32 H new ATOM 0 HB ILE A 55 14.407 -1.429 -0.185 1.00 55.25 H new ATOM 0 HG12 ILE A 55 13.332 -3.329 -1.728 1.00 11.31 H new ATOM 0 HG13 ILE A 55 14.246 -4.391 -0.675 1.00 11.31 H new ATOM 0 HG21 ILE A 55 14.660 -1.755 -2.671 1.00 35.34 H new ATOM 0 HG22 ILE A 55 16.173 -1.208 -1.912 1.00 35.34 H new ATOM 0 HG23 ILE A 55 15.971 -2.918 -2.361 1.00 35.34 H new ATOM 0 HD11 ILE A 55 11.951 -4.087 0.165 1.00 11.04 H new ATOM 0 HD12 ILE A 55 13.128 -3.404 1.312 1.00 11.04 H new ATOM 0 HD13 ILE A 55 12.200 -2.326 0.243 1.00 11.04 H new ATOM 774 N GLN A 56 16.806 -4.870 -0.471 1.00 11.01 N ATOM 775 CA GLN A 56 17.737 -5.812 -1.085 1.00 63.14 C ATOM 776 C GLN A 56 17.068 -6.585 -2.229 1.00 42.25 C ATOM 777 O GLN A 56 15.836 -6.663 -2.268 1.00 74.44 O ATOM 778 CB GLN A 56 18.234 -6.760 0.010 1.00 35.41 C ATOM 779 CG GLN A 56 19.245 -6.054 0.920 1.00 24.51 C ATOM 780 CD GLN A 56 18.856 -6.176 2.384 1.00 53.03 C ATOM 781 OE1 GLN A 56 19.225 -7.151 3.039 1.00 60.55 O ATOM 782 NE2 GLN A 56 18.088 -5.241 2.919 1.00 44.22 N ATOM 0 H GLN A 56 15.909 -5.292 -0.232 1.00 11.01 H new ATOM 0 HA GLN A 56 18.579 -5.275 -1.523 1.00 63.14 H new ATOM 0 HB2 GLN A 56 17.390 -7.114 0.602 1.00 35.41 H new ATOM 0 HB3 GLN A 56 18.696 -7.637 -0.443 1.00 35.41 H new ATOM 0 HG2 GLN A 56 20.235 -6.484 0.768 1.00 24.51 H new ATOM 0 HG3 GLN A 56 19.310 -5.001 0.646 1.00 24.51 H new ATOM 0 HE21 GLN A 56 17.793 -4.441 2.359 1.00 44.22 H new ATOM 0 HE22 GLN A 56 17.791 -5.320 3.891 1.00 44.22 H new ATOM 789 N PRO A 57 17.848 -7.245 -3.106 1.00 3.31 N ATOM 790 CA PRO A 57 17.320 -8.142 -4.131 1.00 63.32 C ATOM 791 C PRO A 57 16.599 -9.349 -3.516 1.00 3.00 C ATOM 792 O PRO A 57 15.715 -9.934 -4.145 1.00 4.43 O ATOM 793 CB PRO A 57 18.537 -8.574 -4.959 1.00 62.44 C ATOM 794 CG PRO A 57 19.713 -8.428 -3.995 1.00 2.43 C ATOM 795 CD PRO A 57 19.305 -7.221 -3.151 1.00 21.30 C ATOM 0 HA PRO A 57 16.570 -7.645 -4.747 1.00 63.32 H new ATOM 0 HB2 PRO A 57 18.435 -9.600 -5.312 1.00 62.44 H new ATOM 0 HB3 PRO A 57 18.663 -7.945 -5.840 1.00 62.44 H new ATOM 0 HG2 PRO A 57 19.851 -9.321 -3.385 1.00 2.43 H new ATOM 0 HG3 PRO A 57 20.651 -8.255 -4.523 1.00 2.43 H new ATOM 0 HD2 PRO A 57 19.729 -7.283 -2.149 1.00 21.30 H new ATOM 0 HD3 PRO A 57 19.668 -6.293 -3.594 1.00 21.30 H new ATOM 800 N ALA A 58 16.922 -9.722 -2.274 1.00 64.14 N ATOM 801 CA ALA A 58 16.217 -10.800 -1.596 1.00 63.41 C ATOM 802 C ALA A 58 14.875 -10.338 -1.026 1.00 3.13 C ATOM 803 O ALA A 58 13.986 -11.160 -0.803 1.00 44.21 O ATOM 804 CB ALA A 58 17.107 -11.345 -0.484 1.00 41.11 C ATOM 0 H ALA A 58 17.665 -9.292 -1.724 1.00 64.14 H new ATOM 0 HA ALA A 58 15.999 -11.583 -2.323 1.00 63.41 H new ATOM 0 HB1 ALA A 58 16.590 -12.154 0.032 1.00 41.11 H new ATOM 0 HB2 ALA A 58 18.035 -11.723 -0.913 1.00 41.11 H new ATOM 0 HB3 ALA A 58 17.333 -10.548 0.225 1.00 41.11 H new ATOM 810 N ASP A 59 14.704 -9.039 -0.773 1.00 34.32 N ATOM 811 CA ASP A 59 13.512 -8.529 -0.096 1.00 3.21 C ATOM 812 C ASP A 59 12.308 -8.453 -1.025 1.00 71.23 C ATOM 813 O ASP A 59 11.178 -8.381 -0.546 1.00 3.03 O ATOM 814 CB ASP A 59 13.787 -7.151 0.512 1.00 51.03 C ATOM 815 CG ASP A 59 14.179 -7.292 1.978 1.00 73.43 C ATOM 816 OD1 ASP A 59 15.276 -7.826 2.251 1.00 33.32 O ATOM 817 OD2 ASP A 59 13.371 -6.885 2.847 1.00 63.53 O ATOM 0 H ASP A 59 15.380 -8.319 -1.028 1.00 34.32 H new ATOM 0 HA ASP A 59 13.272 -9.236 0.698 1.00 3.21 H new ATOM 0 HB2 ASP A 59 14.586 -6.655 -0.040 1.00 51.03 H new ATOM 0 HB3 ASP A 59 12.901 -6.523 0.424 1.00 51.03 H new ATOM 821 N VAL A 60 12.525 -8.490 -2.343 1.00 4.32 N ATOM 822 CA VAL A 60 11.454 -8.656 -3.317 1.00 41.44 C ATOM 823 C VAL A 60 11.076 -10.138 -3.398 1.00 20.44 C ATOM 824 O VAL A 60 9.915 -10.499 -3.196 1.00 21.40 O ATOM 825 CB VAL A 60 11.842 -8.000 -4.659 1.00 21.13 C ATOM 826 CG1 VAL A 60 13.227 -8.384 -5.186 1.00 23.24 C ATOM 827 CG2 VAL A 60 10.797 -8.259 -5.741 1.00 22.21 C ATOM 0 H VAL A 60 13.452 -8.405 -2.761 1.00 4.32 H new ATOM 0 HA VAL A 60 10.550 -8.132 -3.007 1.00 41.44 H new ATOM 0 HB VAL A 60 11.881 -6.936 -4.428 1.00 21.13 H new ATOM 0 HG11 VAL A 60 13.410 -7.875 -6.132 1.00 23.24 H new ATOM 0 HG12 VAL A 60 13.986 -8.089 -4.462 1.00 23.24 H new ATOM 0 HG13 VAL A 60 13.272 -9.462 -5.340 1.00 23.24 H new ATOM 0 HG21 VAL A 60 11.108 -7.780 -6.669 1.00 22.21 H new ATOM 0 HG22 VAL A 60 10.698 -9.333 -5.902 1.00 22.21 H new ATOM 0 HG23 VAL A 60 9.837 -7.849 -5.426 1.00 22.21 H new ATOM 837 N SER A 61 12.050 -11.027 -3.596 1.00 62.33 N ATOM 838 CA SER A 61 11.854 -12.469 -3.726 1.00 32.34 C ATOM 839 C SER A 61 11.637 -13.176 -2.383 1.00 2.40 C ATOM 840 O SER A 61 11.963 -14.352 -2.231 1.00 71.34 O ATOM 841 CB SER A 61 12.970 -13.046 -4.591 1.00 71.52 C ATOM 842 OG SER A 61 12.931 -12.381 -5.845 1.00 31.44 O ATOM 0 H SER A 61 13.029 -10.753 -3.673 1.00 62.33 H new ATOM 0 HA SER A 61 10.914 -12.661 -4.243 1.00 32.34 H new ATOM 0 HB2 SER A 61 13.938 -12.903 -4.112 1.00 71.52 H new ATOM 0 HB3 SER A 61 12.836 -14.120 -4.723 1.00 71.52 H new ATOM 0 HG SER A 61 13.641 -12.731 -6.423 1.00 31.44 H new ATOM 847 N MET A 62 10.980 -12.484 -1.452 1.00 33.12 N ATOM 848 CA MET A 62 10.242 -13.028 -0.334 1.00 1.22 C ATOM 849 C MET A 62 8.748 -12.746 -0.518 1.00 4.33 C ATOM 850 O MET A 62 7.967 -13.663 -0.324 1.00 43.23 O ATOM 851 CB MET A 62 10.819 -12.556 1.000 1.00 15.32 C ATOM 852 CG MET A 62 10.706 -11.053 1.252 1.00 52.14 C ATOM 853 SD MET A 62 11.678 -10.463 2.660 1.00 55.45 S ATOM 854 CE MET A 62 11.010 -11.520 3.964 1.00 1.12 C ATOM 0 H MET A 62 10.953 -11.464 -1.468 1.00 33.12 H new ATOM 0 HA MET A 62 10.351 -14.112 -0.309 1.00 1.22 H new ATOM 0 HB2 MET A 62 10.311 -13.084 1.807 1.00 15.32 H new ATOM 0 HB3 MET A 62 11.870 -12.840 1.046 1.00 15.32 H new ATOM 0 HG2 MET A 62 11.025 -10.521 0.356 1.00 52.14 H new ATOM 0 HG3 MET A 62 9.658 -10.801 1.417 1.00 52.14 H new ATOM 0 HE1 MET A 62 11.339 -11.151 4.936 1.00 1.12 H new ATOM 0 HE2 MET A 62 9.921 -11.507 3.920 1.00 1.12 H new ATOM 0 HE3 MET A 62 11.367 -12.540 3.824 1.00 1.12 H new ATOM 862 N ILE A 63 8.345 -11.556 -0.976 1.00 32.51 N ATOM 863 CA ILE A 63 6.962 -11.097 -1.110 1.00 73.14 C ATOM 864 C ILE A 63 6.186 -12.025 -2.047 1.00 14.03 C ATOM 865 O ILE A 63 5.049 -12.392 -1.760 1.00 3.13 O ATOM 866 CB ILE A 63 6.968 -9.630 -1.622 1.00 14.44 C ATOM 867 CG1 ILE A 63 7.604 -8.685 -0.576 1.00 74.11 C ATOM 868 CG2 ILE A 63 5.554 -9.140 -1.983 1.00 63.44 C ATOM 869 CD1 ILE A 63 8.002 -7.319 -1.145 1.00 12.40 C ATOM 0 H ILE A 63 9.014 -10.849 -1.280 1.00 32.51 H new ATOM 0 HA ILE A 63 6.460 -11.124 -0.143 1.00 73.14 H new ATOM 0 HB ILE A 63 7.570 -9.613 -2.531 1.00 14.44 H new ATOM 0 HG12 ILE A 63 6.900 -8.537 0.243 1.00 74.11 H new ATOM 0 HG13 ILE A 63 8.487 -9.165 -0.155 1.00 74.11 H new ATOM 0 HG21 ILE A 63 5.605 -8.110 -2.336 1.00 63.44 H new ATOM 0 HG22 ILE A 63 5.139 -9.773 -2.768 1.00 63.44 H new ATOM 0 HG23 ILE A 63 4.915 -9.190 -1.101 1.00 63.44 H new ATOM 0 HD11 ILE A 63 8.441 -6.710 -0.355 1.00 12.40 H new ATOM 0 HD12 ILE A 63 8.730 -7.456 -1.945 1.00 12.40 H new ATOM 0 HD13 ILE A 63 7.118 -6.818 -1.541 1.00 12.40 H new ATOM 880 N LYS A 64 6.803 -12.438 -3.155 1.00 41.14 N ATOM 881 CA LYS A 64 6.184 -13.327 -4.142 1.00 3.24 C ATOM 882 C LYS A 64 5.734 -14.648 -3.524 1.00 72.25 C ATOM 883 O LYS A 64 4.740 -15.231 -3.957 1.00 42.11 O ATOM 884 CB LYS A 64 7.183 -13.590 -5.274 1.00 62.42 C ATOM 885 CG LYS A 64 7.440 -12.337 -6.125 1.00 62.22 C ATOM 886 CD LYS A 64 8.916 -12.090 -6.444 1.00 34.34 C ATOM 887 CE LYS A 64 9.501 -13.102 -7.435 1.00 53.34 C ATOM 888 NZ LYS A 64 10.832 -12.686 -7.934 1.00 3.32 N ATOM 0 H LYS A 64 7.755 -12.163 -3.396 1.00 41.14 H new ATOM 0 HA LYS A 64 5.293 -12.835 -4.531 1.00 3.24 H new ATOM 0 HB2 LYS A 64 8.125 -13.939 -4.851 1.00 62.42 H new ATOM 0 HB3 LYS A 64 6.805 -14.389 -5.912 1.00 62.42 H new ATOM 0 HG2 LYS A 64 6.887 -12.427 -7.060 1.00 62.22 H new ATOM 0 HG3 LYS A 64 7.042 -11.468 -5.602 1.00 62.22 H new ATOM 0 HD2 LYS A 64 9.029 -11.086 -6.852 1.00 34.34 H new ATOM 0 HD3 LYS A 64 9.491 -12.124 -5.519 1.00 34.34 H new ATOM 0 HE2 LYS A 64 9.583 -14.076 -6.952 1.00 53.34 H new ATOM 0 HE3 LYS A 64 8.819 -13.220 -8.277 1.00 53.34 H new ATOM 0 HZ1 LYS A 64 11.183 -13.390 -8.614 1.00 3.32 H new ATOM 0 HZ2 LYS A 64 10.753 -11.761 -8.403 1.00 3.32 H new ATOM 0 HZ3 LYS A 64 11.495 -12.615 -7.136 1.00 3.32 H new ATOM 898 N LYS A 65 6.443 -15.126 -2.501 1.00 64.11 N ATOM 899 CA LYS A 65 6.108 -16.362 -1.805 1.00 61.12 C ATOM 900 C LYS A 65 4.942 -16.181 -0.840 1.00 32.34 C ATOM 901 O LYS A 65 4.425 -17.179 -0.343 1.00 61.34 O ATOM 902 CB LYS A 65 7.342 -16.872 -1.061 1.00 74.24 C ATOM 903 CG LYS A 65 8.433 -17.358 -2.026 1.00 33.32 C ATOM 904 CD LYS A 65 9.656 -16.436 -2.051 1.00 0.24 C ATOM 905 CE LYS A 65 10.641 -16.744 -0.905 1.00 14.20 C ATOM 906 NZ LYS A 65 10.086 -16.545 0.450 1.00 35.34 N ATOM 0 H LYS A 65 7.272 -14.660 -2.132 1.00 64.11 H new ATOM 0 HA LYS A 65 5.793 -17.095 -2.548 1.00 61.12 H new ATOM 0 HB2 LYS A 65 7.742 -16.076 -0.433 1.00 74.24 H new ATOM 0 HB3 LYS A 65 7.054 -17.688 -0.398 1.00 74.24 H new ATOM 0 HG2 LYS A 65 8.746 -18.362 -1.738 1.00 33.32 H new ATOM 0 HG3 LYS A 65 8.017 -17.430 -3.031 1.00 33.32 H new ATOM 0 HD2 LYS A 65 10.169 -16.541 -3.007 1.00 0.24 H new ATOM 0 HD3 LYS A 65 9.329 -15.399 -1.978 1.00 0.24 H new ATOM 0 HE2 LYS A 65 10.976 -17.777 -0.999 1.00 14.20 H new ATOM 0 HE3 LYS A 65 11.521 -16.112 -1.020 1.00 14.20 H new ATOM 0 HZ1 LYS A 65 10.864 -16.421 1.129 1.00 35.34 H new ATOM 0 HZ2 LYS A 65 9.482 -15.698 0.457 1.00 35.34 H new ATOM 0 HZ3 LYS A 65 9.521 -17.375 0.719 1.00 35.34 H new ATOM 916 N GLN A 66 4.494 -14.947 -0.607 1.00 64.10 N ATOM 917 CA GLN A 66 3.295 -14.633 0.137 1.00 1.02 C ATOM 918 C GLN A 66 2.210 -14.240 -0.872 1.00 43.44 C ATOM 919 O GLN A 66 1.471 -13.271 -0.692 1.00 52.31 O ATOM 920 CB GLN A 66 3.604 -13.573 1.207 1.00 21.14 C ATOM 921 CG GLN A 66 4.409 -14.131 2.397 1.00 20.35 C ATOM 922 CD GLN A 66 5.910 -14.197 2.124 1.00 14.04 C ATOM 923 OE1 GLN A 66 6.450 -15.215 1.701 1.00 20.42 O ATOM 924 NE2 GLN A 66 6.622 -13.109 2.355 1.00 13.40 N ATOM 0 H GLN A 66 4.980 -14.117 -0.947 1.00 64.10 H new ATOM 0 HA GLN A 66 2.916 -15.488 0.697 1.00 1.02 H new ATOM 0 HB2 GLN A 66 4.162 -12.756 0.750 1.00 21.14 H new ATOM 0 HB3 GLN A 66 2.668 -13.153 1.575 1.00 21.14 H new ATOM 0 HG2 GLN A 66 4.232 -13.507 3.273 1.00 20.35 H new ATOM 0 HG3 GLN A 66 4.045 -15.130 2.638 1.00 20.35 H new ATOM 0 HE21 GLN A 66 6.167 -12.267 2.706 1.00 13.40 H new ATOM 0 HE22 GLN A 66 7.627 -13.111 2.182 1.00 13.40 H new ATOM 931 N GLY A 67 2.072 -15.015 -1.948 1.00 64.12 N ATOM 932 CA GLY A 67 0.871 -15.046 -2.763 1.00 3.12 C ATOM 933 C GLY A 67 0.602 -13.766 -3.522 1.00 2.35 C ATOM 934 O GLY A 67 -0.565 -13.399 -3.684 1.00 60.54 O ATOM 0 H GLY A 67 2.804 -15.645 -2.277 1.00 64.12 H new ATOM 0 HA2 GLY A 67 0.950 -15.867 -3.475 1.00 3.12 H new ATOM 0 HA3 GLY A 67 0.016 -15.261 -2.122 1.00 3.12 H new ATOM 938 N THR A 68 1.667 -13.096 -3.959 1.00 35.45 N ATOM 939 CA THR A 68 1.625 -11.779 -4.559 1.00 41.30 C ATOM 940 C THR A 68 2.177 -11.837 -5.990 1.00 55.11 C ATOM 941 O THR A 68 2.954 -12.740 -6.318 1.00 55.42 O ATOM 942 CB THR A 68 2.422 -10.854 -3.624 1.00 12.31 C ATOM 943 OG1 THR A 68 1.712 -10.770 -2.401 1.00 22.15 O ATOM 944 CG2 THR A 68 2.658 -9.432 -4.148 1.00 15.14 C ATOM 0 H THR A 68 2.612 -13.475 -3.899 1.00 35.45 H new ATOM 0 HA THR A 68 0.611 -11.392 -4.660 1.00 41.30 H new ATOM 0 HB THR A 68 3.414 -11.295 -3.525 1.00 12.31 H new ATOM 0 HG1 THR A 68 1.795 -11.617 -1.916 1.00 22.15 H new ATOM 0 HG21 THR A 68 3.228 -8.864 -3.413 1.00 15.14 H new ATOM 0 HG22 THR A 68 3.215 -9.477 -5.084 1.00 15.14 H new ATOM 0 HG23 THR A 68 1.699 -8.944 -4.319 1.00 15.14 H new ATOM 952 N THR A 69 1.825 -10.851 -6.819 1.00 43.42 N ATOM 953 CA THR A 69 2.347 -10.675 -8.171 1.00 42.40 C ATOM 954 C THR A 69 2.772 -9.224 -8.344 1.00 53.22 C ATOM 955 O THR A 69 2.407 -8.382 -7.518 1.00 21.30 O ATOM 956 CB THR A 69 1.317 -11.088 -9.235 1.00 63.14 C ATOM 957 OG1 THR A 69 0.005 -10.645 -8.924 1.00 51.30 O ATOM 958 CG2 THR A 69 1.281 -12.604 -9.388 1.00 41.24 C ATOM 0 H THR A 69 1.149 -10.133 -6.558 1.00 43.42 H new ATOM 0 HA THR A 69 3.210 -11.326 -8.310 1.00 42.40 H new ATOM 0 HB THR A 69 1.635 -10.614 -10.163 1.00 63.14 H new ATOM 0 HG1 THR A 69 -0.612 -10.930 -9.630 1.00 51.30 H new ATOM 0 HG21 THR A 69 0.546 -12.876 -10.146 1.00 41.24 H new ATOM 0 HG22 THR A 69 2.265 -12.963 -9.692 1.00 41.24 H new ATOM 0 HG23 THR A 69 1.007 -13.059 -8.436 1.00 41.24 H new ATOM 966 N LEU A 70 3.478 -8.928 -9.439 1.00 12.11 N ATOM 967 CA LEU A 70 3.923 -7.586 -9.776 1.00 23.10 C ATOM 968 C LEU A 70 2.775 -6.614 -9.739 1.00 4.22 C ATOM 969 O LEU A 70 2.868 -5.530 -9.179 1.00 41.35 O ATOM 970 CB LEU A 70 4.441 -7.578 -11.211 1.00 33.42 C ATOM 971 CG LEU A 70 5.284 -6.350 -11.581 1.00 23.10 C ATOM 972 CD1 LEU A 70 4.702 -5.582 -12.738 1.00 23.10 C ATOM 973 CD2 LEU A 70 5.839 -5.419 -10.492 1.00 63.33 C ATOM 0 H LEU A 70 3.758 -9.631 -10.123 1.00 12.11 H new ATOM 0 HA LEU A 70 4.690 -7.300 -9.057 1.00 23.10 H new ATOM 0 HB2 LEU A 70 5.040 -8.475 -11.372 1.00 33.42 H new ATOM 0 HB3 LEU A 70 3.591 -7.636 -11.890 1.00 33.42 H new ATOM 0 HG LEU A 70 6.205 -6.856 -11.872 1.00 23.10 H new ATOM 0 HD11 LEU A 70 5.335 -4.723 -12.960 1.00 23.10 H new ATOM 0 HD12 LEU A 70 4.648 -6.229 -13.614 1.00 23.10 H new ATOM 0 HD13 LEU A 70 3.701 -5.237 -12.479 1.00 23.10 H new ATOM 0 HD21 LEU A 70 6.406 -4.613 -10.957 1.00 63.33 H new ATOM 0 HD22 LEU A 70 5.014 -4.998 -9.918 1.00 63.33 H new ATOM 0 HD23 LEU A 70 6.492 -5.985 -9.827 1.00 63.33 H new ATOM 984 N GLU A 71 1.685 -7.054 -10.349 1.00 20.22 N ATOM 985 CA GLU A 71 0.578 -6.209 -10.710 1.00 13.22 C ATOM 986 C GLU A 71 -0.038 -5.509 -9.483 1.00 14.00 C ATOM 987 O GLU A 71 -0.699 -4.476 -9.584 1.00 33.22 O ATOM 988 CB GLU A 71 -0.486 -7.127 -11.344 1.00 71.10 C ATOM 989 CG GLU A 71 -0.819 -6.780 -12.785 1.00 34.52 C ATOM 990 CD GLU A 71 -1.656 -7.907 -13.397 1.00 0.23 C ATOM 991 OE1 GLU A 71 -2.894 -7.932 -13.215 1.00 15.45 O ATOM 992 OE2 GLU A 71 -1.046 -8.831 -13.985 1.00 61.52 O ATOM 0 H GLU A 71 1.551 -8.031 -10.609 1.00 20.22 H new ATOM 0 HA GLU A 71 0.921 -5.429 -11.390 1.00 13.22 H new ATOM 0 HB2 GLU A 71 -0.135 -8.158 -11.301 1.00 71.10 H new ATOM 0 HB3 GLU A 71 -1.397 -7.076 -10.748 1.00 71.10 H new ATOM 0 HG2 GLU A 71 -1.368 -5.840 -12.827 1.00 34.52 H new ATOM 0 HG3 GLU A 71 0.097 -6.640 -13.358 1.00 34.52 H new ATOM 997 N MET A 72 0.116 -6.143 -8.322 1.00 21.12 N ATOM 998 CA MET A 72 -0.342 -5.693 -7.017 1.00 23.50 C ATOM 999 C MET A 72 0.602 -4.642 -6.423 1.00 40.34 C ATOM 1000 O MET A 72 0.176 -3.777 -5.657 1.00 71.32 O ATOM 1001 CB MET A 72 -0.429 -6.928 -6.095 1.00 13.15 C ATOM 1002 CG MET A 72 -1.854 -7.496 -6.033 1.00 14.02 C ATOM 1003 SD MET A 72 -2.156 -8.814 -7.239 1.00 53.30 S ATOM 1004 CE MET A 72 -1.632 -10.238 -6.253 1.00 44.22 C ATOM 0 H MET A 72 0.595 -7.042 -8.269 1.00 21.12 H new ATOM 0 HA MET A 72 -1.319 -5.220 -7.115 1.00 23.50 H new ATOM 0 HB2 MET A 72 0.254 -7.698 -6.454 1.00 13.15 H new ATOM 0 HB3 MET A 72 -0.103 -6.656 -5.091 1.00 13.15 H new ATOM 0 HG2 MET A 72 -2.040 -7.881 -5.031 1.00 14.02 H new ATOM 0 HG3 MET A 72 -2.567 -6.689 -6.202 1.00 14.02 H new ATOM 0 HE1 MET A 72 -1.425 -11.081 -6.912 1.00 44.22 H new ATOM 0 HE2 MET A 72 -0.731 -9.983 -5.696 1.00 44.22 H new ATOM 0 HE3 MET A 72 -2.425 -10.509 -5.556 1.00 44.22 H new ATOM 1012 N ILE A 73 1.896 -4.719 -6.719 1.00 35.31 N ATOM 1013 CA ILE A 73 2.907 -3.769 -6.275 1.00 24.11 C ATOM 1014 C ILE A 73 2.707 -2.463 -7.038 1.00 0.01 C ATOM 1015 O ILE A 73 2.627 -1.404 -6.413 1.00 0.30 O ATOM 1016 CB ILE A 73 4.305 -4.411 -6.472 1.00 63.55 C ATOM 1017 CG1 ILE A 73 4.418 -5.792 -5.778 1.00 62.21 C ATOM 1018 CG2 ILE A 73 5.476 -3.524 -6.031 1.00 33.13 C ATOM 1019 CD1 ILE A 73 3.862 -5.865 -4.344 1.00 64.31 C ATOM 0 H ILE A 73 2.281 -5.469 -7.293 1.00 35.31 H new ATOM 0 HA ILE A 73 2.820 -3.530 -5.215 1.00 24.11 H new ATOM 0 HB ILE A 73 4.386 -4.538 -7.552 1.00 63.55 H new ATOM 0 HG12 ILE A 73 3.896 -6.529 -6.389 1.00 62.21 H new ATOM 0 HG13 ILE A 73 5.468 -6.082 -5.756 1.00 62.21 H new ATOM 0 HG21 ILE A 73 6.415 -4.049 -6.203 1.00 33.13 H new ATOM 0 HG22 ILE A 73 5.467 -2.598 -6.606 1.00 33.13 H new ATOM 0 HG23 ILE A 73 5.378 -3.294 -4.970 1.00 33.13 H new ATOM 0 HD11 ILE A 73 3.992 -6.875 -3.954 1.00 64.31 H new ATOM 0 HD12 ILE A 73 4.398 -5.159 -3.709 1.00 64.31 H new ATOM 0 HD13 ILE A 73 2.802 -5.613 -4.352 1.00 64.31 H new ATOM 1030 N THR A 74 2.567 -2.537 -8.360 1.00 22.24 N ATOM 1031 CA THR A 74 2.365 -1.373 -9.216 1.00 1.32 C ATOM 1032 C THR A 74 1.081 -0.635 -8.821 1.00 51.14 C ATOM 1033 O THR A 74 1.084 0.597 -8.740 1.00 21.43 O ATOM 1034 CB THR A 74 2.388 -1.817 -10.696 1.00 13.21 C ATOM 1035 OG1 THR A 74 1.765 -3.075 -10.871 1.00 54.23 O ATOM 1036 CG2 THR A 74 3.828 -1.931 -11.205 1.00 72.32 C ATOM 0 H THR A 74 2.591 -3.419 -8.872 1.00 22.24 H new ATOM 0 HA THR A 74 3.176 -0.657 -9.082 1.00 1.32 H new ATOM 0 HB THR A 74 1.844 -1.058 -11.259 1.00 13.21 H new ATOM 0 HG1 THR A 74 1.007 -3.153 -10.255 1.00 54.23 H new ATOM 0 HG21 THR A 74 3.821 -2.245 -12.249 1.00 72.32 H new ATOM 0 HG22 THR A 74 4.322 -0.963 -11.120 1.00 72.32 H new ATOM 0 HG23 THR A 74 4.368 -2.667 -10.609 1.00 72.32 H new ATOM 1044 N ALA A 75 -0.008 -1.351 -8.520 1.00 53.03 N ATOM 1045 CA ALA A 75 -1.275 -0.690 -8.226 1.00 31.10 C ATOM 1046 C ALA A 75 -1.224 0.105 -6.919 1.00 60.33 C ATOM 1047 O ALA A 75 -1.653 1.258 -6.902 1.00 40.12 O ATOM 1048 CB ALA A 75 -2.415 -1.699 -8.204 1.00 34.22 C ATOM 0 H ALA A 75 -0.035 -2.370 -8.475 1.00 53.03 H new ATOM 0 HA ALA A 75 -1.459 0.026 -9.027 1.00 31.10 H new ATOM 0 HB1 ALA A 75 -3.351 -1.186 -7.983 1.00 34.22 H new ATOM 0 HB2 ALA A 75 -2.489 -2.186 -9.176 1.00 34.22 H new ATOM 0 HB3 ALA A 75 -2.222 -2.449 -7.437 1.00 34.22 H new ATOM 1054 N TRP A 76 -0.716 -0.479 -5.823 1.00 41.44 N ATOM 1055 CA TRP A 76 -0.654 0.266 -4.570 1.00 62.15 C ATOM 1056 C TRP A 76 0.391 1.374 -4.619 1.00 75.42 C ATOM 1057 O TRP A 76 0.269 2.333 -3.861 1.00 60.25 O ATOM 1058 CB TRP A 76 -0.347 -0.637 -3.381 1.00 71.54 C ATOM 1059 CG TRP A 76 -1.503 -1.415 -2.845 1.00 52.33 C ATOM 1060 CD1 TRP A 76 -1.834 -2.678 -3.183 1.00 42.02 C ATOM 1061 CD2 TRP A 76 -2.557 -0.949 -1.950 1.00 11.21 C ATOM 1062 NE1 TRP A 76 -3.030 -3.015 -2.593 1.00 44.04 N ATOM 1063 CE2 TRP A 76 -3.535 -1.981 -1.842 1.00 60.14 C ATOM 1064 CE3 TRP A 76 -2.847 0.277 -1.309 1.00 41.32 C ATOM 1065 CZ2 TRP A 76 -4.745 -1.800 -1.164 1.00 13.05 C ATOM 1066 CZ3 TRP A 76 -4.053 0.462 -0.608 1.00 2.30 C ATOM 1067 CH2 TRP A 76 -5.003 -0.570 -0.545 1.00 75.12 C ATOM 0 H TRP A 76 -0.355 -1.432 -5.783 1.00 41.44 H new ATOM 0 HA TRP A 76 -1.643 0.706 -4.440 1.00 62.15 H new ATOM 0 HB2 TRP A 76 0.435 -1.338 -3.673 1.00 71.54 H new ATOM 0 HB3 TRP A 76 0.059 -0.023 -2.577 1.00 71.54 H new ATOM 0 HD1 TRP A 76 -1.249 -3.326 -3.820 1.00 42.02 H new ATOM 0 HE1 TRP A 76 -3.486 -3.921 -2.700 1.00 44.04 H new ATOM 0 HE3 TRP A 76 -2.132 1.085 -1.358 1.00 41.32 H new ATOM 0 HZ2 TRP A 76 -5.471 -2.598 -1.118 1.00 13.05 H new ATOM 0 HZ3 TRP A 76 -4.249 1.403 -0.116 1.00 2.30 H new ATOM 0 HH2 TRP A 76 -5.933 -0.415 -0.019 1.00 75.12 H new ATOM 1077 N GLN A 77 1.424 1.252 -5.452 1.00 41.42 N ATOM 1078 CA GLN A 77 2.346 2.348 -5.672 1.00 2.33 C ATOM 1079 C GLN A 77 1.561 3.534 -6.236 1.00 15.22 C ATOM 1080 O GLN A 77 1.525 4.605 -5.631 1.00 62.53 O ATOM 1081 CB GLN A 77 3.472 1.888 -6.603 1.00 3.10 C ATOM 1082 CG GLN A 77 4.510 2.993 -6.840 1.00 52.32 C ATOM 1083 CD GLN A 77 4.671 3.307 -8.318 1.00 74.14 C ATOM 1084 OE1 GLN A 77 3.708 3.626 -9.011 1.00 53.05 O ATOM 1085 NE2 GLN A 77 5.883 3.210 -8.823 1.00 52.01 N ATOM 0 H GLN A 77 1.637 0.406 -5.980 1.00 41.42 H new ATOM 0 HA GLN A 77 2.814 2.666 -4.740 1.00 2.33 H new ATOM 0 HB2 GLN A 77 3.964 1.015 -6.174 1.00 3.10 H new ATOM 0 HB3 GLN A 77 3.049 1.578 -7.558 1.00 3.10 H new ATOM 0 HG2 GLN A 77 4.209 3.895 -6.307 1.00 52.32 H new ATOM 0 HG3 GLN A 77 5.470 2.684 -6.427 1.00 52.32 H new ATOM 0 HE21 GLN A 77 6.665 2.943 -8.225 1.00 52.01 H new ATOM 0 HE22 GLN A 77 6.040 3.402 -9.812 1.00 52.01 H new ATOM 1092 N ASP A 78 0.907 3.330 -7.374 1.00 41.14 N ATOM 1093 CA ASP A 78 0.282 4.402 -8.141 1.00 54.32 C ATOM 1094 C ASP A 78 -0.885 5.063 -7.412 1.00 42.32 C ATOM 1095 O ASP A 78 -1.212 6.227 -7.658 1.00 33.32 O ATOM 1096 CB ASP A 78 -0.232 3.837 -9.460 1.00 20.43 C ATOM 1097 CG ASP A 78 -0.330 4.976 -10.468 1.00 24.33 C ATOM 1098 OD1 ASP A 78 0.716 5.601 -10.755 1.00 51.21 O ATOM 1099 OD2 ASP A 78 -1.467 5.321 -10.857 1.00 22.14 O ATOM 0 H ASP A 78 0.795 2.407 -7.794 1.00 41.14 H new ATOM 0 HA ASP A 78 1.045 5.164 -8.297 1.00 54.32 H new ATOM 0 HB2 ASP A 78 0.441 3.062 -9.828 1.00 20.43 H new ATOM 0 HB3 ASP A 78 -1.207 3.371 -9.318 1.00 20.43 H new ATOM 1103 N PHE A 79 -1.507 4.337 -6.484 1.00 42.44 N ATOM 1104 CA PHE A 79 -2.442 4.932 -5.543 1.00 60.35 C ATOM 1105 C PHE A 79 -1.762 6.053 -4.749 1.00 3.30 C ATOM 1106 O PHE A 79 -2.253 7.184 -4.739 1.00 52.42 O ATOM 1107 CB PHE A 79 -3.057 3.866 -4.632 1.00 0.30 C ATOM 1108 CG PHE A 79 -4.056 4.460 -3.659 1.00 23.34 C ATOM 1109 CD1 PHE A 79 -5.412 4.578 -4.012 1.00 61.53 C ATOM 1110 CD2 PHE A 79 -3.610 4.988 -2.434 1.00 12.01 C ATOM 1111 CE1 PHE A 79 -6.315 5.202 -3.136 1.00 55.15 C ATOM 1112 CE2 PHE A 79 -4.501 5.660 -1.582 1.00 71.14 C ATOM 1113 CZ PHE A 79 -5.862 5.754 -1.923 1.00 74.35 C ATOM 0 H PHE A 79 -1.376 3.332 -6.367 1.00 42.44 H new ATOM 0 HA PHE A 79 -3.264 5.381 -6.101 1.00 60.35 H new ATOM 0 HB2 PHE A 79 -3.550 3.109 -5.241 1.00 0.30 H new ATOM 0 HB3 PHE A 79 -2.265 3.362 -4.077 1.00 0.30 H new ATOM 0 HD1 PHE A 79 -5.759 4.188 -4.958 1.00 61.53 H new ATOM 0 HD2 PHE A 79 -2.575 4.876 -2.147 1.00 12.01 H new ATOM 0 HE1 PHE A 79 -7.362 5.259 -3.394 1.00 55.15 H new ATOM 0 HE2 PHE A 79 -4.141 6.104 -0.666 1.00 71.14 H new ATOM 0 HZ PHE A 79 -6.556 6.247 -1.258 1.00 74.35 H new ATOM 1122 N TYR A 80 -0.669 5.749 -4.047 1.00 24.31 N ATOM 1123 CA TYR A 80 -0.052 6.694 -3.123 1.00 24.14 C ATOM 1124 C TYR A 80 0.679 7.821 -3.851 1.00 40.45 C ATOM 1125 O TYR A 80 0.698 8.946 -3.357 1.00 54.03 O ATOM 1126 CB TYR A 80 0.861 5.947 -2.154 1.00 62.23 C ATOM 1127 CG TYR A 80 0.108 5.095 -1.149 1.00 54.31 C ATOM 1128 CD1 TYR A 80 -0.841 5.630 -0.250 1.00 23.33 C ATOM 1129 CD2 TYR A 80 0.349 3.719 -1.157 1.00 41.02 C ATOM 1130 CE1 TYR A 80 -1.529 4.775 0.639 1.00 4.43 C ATOM 1131 CE2 TYR A 80 -0.338 2.858 -0.293 1.00 15.20 C ATOM 1132 CZ TYR A 80 -1.280 3.380 0.616 1.00 53.35 C ATOM 1133 OH TYR A 80 -1.836 2.527 1.518 1.00 53.32 O ATOM 0 H TYR A 80 -0.193 4.849 -4.104 1.00 24.31 H new ATOM 0 HA TYR A 80 -0.842 7.177 -2.548 1.00 24.14 H new ATOM 0 HB2 TYR A 80 1.539 5.310 -2.723 1.00 62.23 H new ATOM 0 HB3 TYR A 80 1.477 6.669 -1.618 1.00 62.23 H new ATOM 0 HD1 TYR A 80 -1.040 6.691 -0.242 1.00 23.33 H new ATOM 0 HD2 TYR A 80 1.078 3.312 -1.842 1.00 41.02 H new ATOM 0 HE1 TYR A 80 -2.245 5.184 1.336 1.00 4.43 H new ATOM 0 HE2 TYR A 80 -0.146 1.796 -0.323 1.00 15.20 H new ATOM 0 HH TYR A 80 -2.442 1.911 1.055 1.00 53.32 H new ATOM 1142 N GLU A 81 1.232 7.553 -5.031 1.00 3.13 N ATOM 1143 CA GLU A 81 1.759 8.570 -5.939 1.00 40.14 C ATOM 1144 C GLU A 81 0.706 9.622 -6.263 1.00 41.05 C ATOM 1145 O GLU A 81 0.938 10.808 -6.043 1.00 32.11 O ATOM 1146 CB GLU A 81 2.329 7.896 -7.161 1.00 14.02 C ATOM 1147 CG GLU A 81 3.623 7.181 -6.770 1.00 40.34 C ATOM 1148 CD GLU A 81 4.718 7.963 -6.023 1.00 3.31 C ATOM 1149 OE1 GLU A 81 4.617 8.158 -4.791 1.00 34.50 O ATOM 1150 OE2 GLU A 81 5.751 8.301 -6.649 1.00 32.33 O ATOM 0 H GLU A 81 1.329 6.603 -5.391 1.00 3.13 H new ATOM 0 HA GLU A 81 2.570 9.114 -5.455 1.00 40.14 H new ATOM 0 HB2 GLU A 81 1.612 7.183 -7.568 1.00 14.02 H new ATOM 0 HB3 GLU A 81 2.525 8.632 -7.941 1.00 14.02 H new ATOM 0 HG2 GLU A 81 3.351 6.326 -6.151 1.00 40.34 H new ATOM 0 HG3 GLU A 81 4.068 6.785 -7.683 1.00 40.34 H new ATOM 1155 N GLN A 82 -0.475 9.213 -6.723 1.00 75.23 N ATOM 1156 CA GLN A 82 -1.503 10.162 -7.125 1.00 32.30 C ATOM 1157 C GLN A 82 -2.159 10.894 -5.950 1.00 55.23 C ATOM 1158 O GLN A 82 -2.958 11.795 -6.206 1.00 31.51 O ATOM 1159 CB GLN A 82 -2.528 9.475 -8.032 1.00 12.02 C ATOM 1160 CG GLN A 82 -2.198 9.684 -9.517 1.00 11.20 C ATOM 1161 CD GLN A 82 -0.801 9.238 -9.946 1.00 15.43 C ATOM 1162 OE1 GLN A 82 -0.042 10.011 -10.521 1.00 41.23 O ATOM 1163 NE2 GLN A 82 -0.425 8.000 -9.695 1.00 41.34 N ATOM 0 H GLN A 82 -0.740 8.233 -6.825 1.00 75.23 H new ATOM 0 HA GLN A 82 -1.009 10.949 -7.695 1.00 32.30 H new ATOM 0 HB2 GLN A 82 -2.553 8.408 -7.811 1.00 12.02 H new ATOM 0 HB3 GLN A 82 -3.523 9.868 -7.821 1.00 12.02 H new ATOM 0 HG2 GLN A 82 -2.933 9.145 -10.115 1.00 11.20 H new ATOM 0 HG3 GLN A 82 -2.311 10.742 -9.752 1.00 11.20 H new ATOM 0 HE21 GLN A 82 -1.060 7.361 -9.216 1.00 41.34 H new ATOM 0 HE22 GLN A 82 0.501 7.681 -9.979 1.00 41.34 H new ATOM 1170 N GLU A 83 -1.819 10.595 -4.689 1.00 63.33 N ATOM 1171 CA GLU A 83 -2.177 11.498 -3.603 1.00 32.41 C ATOM 1172 C GLU A 83 -1.128 12.593 -3.361 1.00 21.32 C ATOM 1173 O GLU A 83 -1.469 13.650 -2.836 1.00 60.12 O ATOM 1174 CB GLU A 83 -2.641 10.784 -2.329 1.00 52.42 C ATOM 1175 CG GLU A 83 -1.687 9.836 -1.603 1.00 72.11 C ATOM 1176 CD GLU A 83 -2.089 9.758 -0.127 1.00 75.25 C ATOM 1177 OE1 GLU A 83 -1.660 10.645 0.640 1.00 2.42 O ATOM 1178 OE2 GLU A 83 -2.864 8.848 0.260 1.00 12.22 O ATOM 0 H GLU A 83 -1.311 9.757 -4.407 1.00 63.33 H new ATOM 0 HA GLU A 83 -3.065 12.027 -3.949 1.00 32.41 H new ATOM 0 HB2 GLU A 83 -2.942 11.552 -1.616 1.00 52.42 H new ATOM 0 HB3 GLU A 83 -3.536 10.215 -2.582 1.00 52.42 H new ATOM 0 HG2 GLU A 83 -1.724 8.845 -2.056 1.00 72.11 H new ATOM 0 HG3 GLU A 83 -0.661 10.191 -1.695 1.00 72.11 H new ATOM 1183 N GLN A 84 0.124 12.447 -3.792 1.00 64.53 N ATOM 1184 CA GLN A 84 1.128 13.498 -3.599 1.00 14.01 C ATOM 1185 C GLN A 84 0.808 14.750 -4.420 1.00 32.12 C ATOM 1186 O GLN A 84 0.963 15.870 -3.934 1.00 60.24 O ATOM 1187 CB GLN A 84 2.509 12.931 -3.936 1.00 53.31 C ATOM 1188 CG GLN A 84 3.037 12.159 -2.730 1.00 32.52 C ATOM 1189 CD GLN A 84 3.817 10.952 -3.198 1.00 71.34 C ATOM 1190 OE1 GLN A 84 4.827 11.073 -3.885 1.00 60.44 O ATOM 1191 NE2 GLN A 84 3.354 9.771 -2.846 1.00 43.41 N ATOM 0 H GLN A 84 0.468 11.617 -4.275 1.00 64.53 H new ATOM 0 HA GLN A 84 1.118 13.815 -2.556 1.00 14.01 H new ATOM 0 HB2 GLN A 84 2.445 12.275 -4.804 1.00 53.31 H new ATOM 0 HB3 GLN A 84 3.194 13.738 -4.196 1.00 53.31 H new ATOM 0 HG2 GLN A 84 3.674 12.803 -2.125 1.00 32.52 H new ATOM 0 HG3 GLN A 84 2.208 11.845 -2.096 1.00 32.52 H new ATOM 0 HE21 GLN A 84 2.512 9.703 -2.274 1.00 43.41 H new ATOM 0 HE22 GLN A 84 3.837 8.924 -3.145 1.00 43.41 H new ATOM 1198 N GLN A 85 0.300 14.585 -5.639 1.00 33.14 N ATOM 1199 CA GLN A 85 -0.187 15.665 -6.504 1.00 62.11 C ATOM 1200 C GLN A 85 -1.462 16.367 -5.980 1.00 20.10 C ATOM 1201 O GLN A 85 -1.993 17.251 -6.661 1.00 12.40 O ATOM 1202 CB GLN A 85 -0.404 15.109 -7.921 1.00 1.44 C ATOM 1203 CG GLN A 85 -1.262 13.841 -7.873 1.00 72.45 C ATOM 1204 CD GLN A 85 -2.183 13.648 -9.066 1.00 61.21 C ATOM 1205 OE1 GLN A 85 -1.858 13.977 -10.203 1.00 31.33 O ATOM 1206 NE2 GLN A 85 -3.354 13.100 -8.806 1.00 12.00 N ATOM 0 H GLN A 85 0.212 13.665 -6.070 1.00 33.14 H new ATOM 0 HA GLN A 85 0.577 16.442 -6.512 1.00 62.11 H new ATOM 0 HB2 GLN A 85 -0.890 15.861 -8.543 1.00 1.44 H new ATOM 0 HB3 GLN A 85 0.558 14.887 -8.382 1.00 1.44 H new ATOM 0 HG2 GLN A 85 -0.603 12.976 -7.797 1.00 72.45 H new ATOM 0 HG3 GLN A 85 -1.866 13.862 -6.966 1.00 72.45 H new ATOM 0 HE21 GLN A 85 -3.593 12.838 -7.850 1.00 12.00 H new ATOM 0 HE22 GLN A 85 -4.020 12.938 -9.561 1.00 12.00 H new ATOM 1213 N ARG A 86 -1.977 15.997 -4.800 1.00 20.14 N ATOM 1214 CA ARG A 86 -2.987 16.768 -4.062 1.00 71.25 C ATOM 1215 C ARG A 86 -2.487 17.200 -2.692 1.00 13.12 C ATOM 1216 O ARG A 86 -2.708 18.351 -2.299 1.00 41.34 O ATOM 1217 CB ARG A 86 -4.321 16.007 -3.961 1.00 54.12 C ATOM 1218 CG ARG A 86 -4.238 14.597 -3.379 1.00 73.32 C ATOM 1219 CD ARG A 86 -5.603 13.929 -3.263 1.00 35.20 C ATOM 1220 NE ARG A 86 -6.431 14.578 -2.236 1.00 72.23 N ATOM 1221 CZ ARG A 86 -7.718 14.304 -2.020 1.00 64.34 C ATOM 1222 NH1 ARG A 86 -8.340 13.366 -2.725 1.00 11.14 N ATOM 1223 NH2 ARG A 86 -8.388 14.978 -1.093 1.00 22.41 N ATOM 0 H ARG A 86 -1.699 15.139 -4.323 1.00 20.14 H new ATOM 0 HA ARG A 86 -3.172 17.676 -4.635 1.00 71.25 H new ATOM 0 HB2 ARG A 86 -5.007 16.593 -3.349 1.00 54.12 H new ATOM 0 HB3 ARG A 86 -4.758 15.944 -4.958 1.00 54.12 H new ATOM 0 HG2 ARG A 86 -3.591 13.986 -4.008 1.00 73.32 H new ATOM 0 HG3 ARG A 86 -3.775 14.642 -2.393 1.00 73.32 H new ATOM 0 HD2 ARG A 86 -6.114 13.972 -4.225 1.00 35.20 H new ATOM 0 HD3 ARG A 86 -5.474 12.875 -3.017 1.00 35.20 H new ATOM 0 HE ARG A 86 -5.991 15.286 -1.649 1.00 72.23 H new ATOM 0 HH11 ARG A 86 -7.833 12.846 -3.441 1.00 11.14 H new ATOM 0 HH12 ARG A 86 -9.325 13.166 -2.550 1.00 11.14 H new ATOM 0 HH21 ARG A 86 -7.918 15.702 -0.549 1.00 22.41 H new ATOM 0 HH22 ARG A 86 -9.373 14.772 -0.924 1.00 22.41 H new ATOM 1234 N ASN A 87 -1.830 16.307 -1.954 1.00 41.23 N ATOM 1235 CA ASN A 87 -1.383 16.522 -0.592 1.00 62.23 C ATOM 1236 C ASN A 87 0.080 16.119 -0.472 1.00 33.44 C ATOM 1237 O ASN A 87 0.413 15.011 -0.058 1.00 62.43 O ATOM 1238 CB ASN A 87 -2.308 15.877 0.461 1.00 42.34 C ATOM 1239 CG ASN A 87 -2.763 14.438 0.239 1.00 74.33 C ATOM 1240 OD1 ASN A 87 -3.957 14.157 0.314 1.00 42.25 O ATOM 1241 ND2 ASN A 87 -1.872 13.494 0.056 1.00 4.01 N ATOM 0 H ASN A 87 -1.589 15.381 -2.308 1.00 41.23 H new ATOM 0 HA ASN A 87 -1.451 17.586 -0.364 1.00 62.23 H new ATOM 0 HB2 ASN A 87 -1.797 15.920 1.423 1.00 42.34 H new ATOM 0 HB3 ASN A 87 -3.200 16.498 0.546 1.00 42.34 H new ATOM 0 HD21 ASN A 87 -2.169 12.521 -0.025 1.00 4.01 H new ATOM 0 HD22 ASN A 87 -0.882 13.732 -0.006 1.00 4.01 H new ATOM 1247 N GLU A 88 0.966 17.068 -0.764 1.00 13.11 N ATOM 1248 CA GLU A 88 2.404 16.933 -0.550 1.00 41.23 C ATOM 1249 C GLU A 88 2.709 16.609 0.917 1.00 24.31 C ATOM 1250 O GLU A 88 3.651 15.881 1.211 1.00 1.12 O ATOM 1251 CB GLU A 88 3.063 18.269 -0.918 1.00 33.30 C ATOM 1252 CG GLU A 88 3.330 18.450 -2.415 1.00 74.14 C ATOM 1253 CD GLU A 88 4.604 17.717 -2.833 1.00 1.04 C ATOM 1254 OE1 GLU A 88 5.705 18.308 -2.733 1.00 4.31 O ATOM 1255 OE2 GLU A 88 4.538 16.544 -3.253 1.00 12.43 O ATOM 0 H GLU A 88 0.700 17.968 -1.163 1.00 13.11 H new ATOM 0 HA GLU A 88 2.789 16.121 -1.166 1.00 41.23 H new ATOM 0 HB2 GLU A 88 2.424 19.082 -0.574 1.00 33.30 H new ATOM 0 HB3 GLU A 88 4.007 18.355 -0.380 1.00 33.30 H new ATOM 0 HG2 GLU A 88 2.483 18.072 -2.988 1.00 74.14 H new ATOM 0 HG3 GLU A 88 3.423 19.511 -2.646 1.00 74.14 H new ATOM 1260 N ASN A 89 1.893 17.132 1.839 1.00 75.21 N ATOM 1261 CA ASN A 89 2.020 17.030 3.295 1.00 2.12 C ATOM 1262 C ASN A 89 1.773 15.614 3.845 1.00 24.34 C ATOM 1263 O ASN A 89 1.549 15.485 5.048 1.00 44.04 O ATOM 1264 CB ASN A 89 1.058 18.047 3.962 1.00 20.44 C ATOM 1265 CG ASN A 89 1.549 19.484 4.043 1.00 62.24 C ATOM 1266 OD1 ASN A 89 1.219 20.205 4.979 1.00 41.05 O ATOM 1267 ND2 ASN A 89 2.338 19.949 3.095 1.00 73.53 N ATOM 0 H ASN A 89 1.072 17.674 1.569 1.00 75.21 H new ATOM 0 HA ASN A 89 3.056 17.262 3.541 1.00 2.12 H new ATOM 0 HB2 ASN A 89 0.116 18.037 3.414 1.00 20.44 H new ATOM 0 HB3 ASN A 89 0.842 17.702 4.973 1.00 20.44 H new ATOM 0 HD21 ASN A 89 2.676 20.910 3.139 1.00 73.53 H new ATOM 0 HD22 ASN A 89 2.611 19.347 2.318 1.00 73.53 H new ATOM 1273 N ASN A 90 1.753 14.553 3.033 1.00 72.45 N ATOM 1274 CA ASN A 90 1.309 13.224 3.469 1.00 52.23 C ATOM 1275 C ASN A 90 2.450 12.201 3.398 1.00 71.21 C ATOM 1276 O ASN A 90 2.499 11.370 2.484 1.00 4.30 O ATOM 1277 CB ASN A 90 0.039 12.830 2.692 1.00 74.34 C ATOM 1278 CG ASN A 90 -1.069 12.343 3.616 1.00 73.25 C ATOM 1279 OD1 ASN A 90 -1.426 13.008 4.587 1.00 61.51 O ATOM 1280 ND2 ASN A 90 -1.672 11.213 3.316 1.00 60.44 N ATOM 0 H ASN A 90 2.044 14.590 2.056 1.00 72.45 H new ATOM 0 HA ASN A 90 1.033 13.245 4.523 1.00 52.23 H new ATOM 0 HB2 ASN A 90 -0.317 13.687 2.121 1.00 74.34 H new ATOM 0 HB3 ASN A 90 0.282 12.047 1.974 1.00 74.34 H new ATOM 0 HD21 ASN A 90 -2.445 10.879 3.891 1.00 60.44 H new ATOM 0 HD22 ASN A 90 -1.366 10.671 2.508 1.00 60.44 H new ATOM 1286 N PRO A 91 3.383 12.225 4.365 1.00 20.34 N ATOM 1287 CA PRO A 91 4.635 11.492 4.262 1.00 21.43 C ATOM 1288 C PRO A 91 4.422 9.978 4.356 1.00 41.24 C ATOM 1289 O PRO A 91 5.227 9.222 3.814 1.00 60.11 O ATOM 1290 CB PRO A 91 5.514 12.019 5.404 1.00 15.23 C ATOM 1291 CG PRO A 91 4.498 12.499 6.439 1.00 33.11 C ATOM 1292 CD PRO A 91 3.375 13.039 5.569 1.00 23.22 C ATOM 0 HA PRO A 91 5.108 11.648 3.292 1.00 21.43 H new ATOM 0 HB2 PRO A 91 6.160 11.239 5.807 1.00 15.23 H new ATOM 0 HB3 PRO A 91 6.162 12.830 5.071 1.00 15.23 H new ATOM 0 HG2 PRO A 91 4.159 11.687 7.082 1.00 33.11 H new ATOM 0 HG3 PRO A 91 4.914 13.268 7.090 1.00 33.11 H new ATOM 0 HD2 PRO A 91 2.415 12.970 6.081 1.00 23.22 H new ATOM 0 HD3 PRO A 91 3.535 14.091 5.331 1.00 23.22 H new ATOM 1297 N THR A 92 3.349 9.509 5.005 1.00 40.42 N ATOM 1298 CA THR A 92 3.017 8.094 5.067 1.00 54.22 C ATOM 1299 C THR A 92 2.916 7.513 3.654 1.00 33.30 C ATOM 1300 O THR A 92 3.616 6.542 3.366 1.00 33.43 O ATOM 1301 CB THR A 92 1.767 7.887 5.940 1.00 42.34 C ATOM 1302 OG1 THR A 92 2.073 8.238 7.274 1.00 60.21 O ATOM 1303 CG2 THR A 92 1.310 6.433 5.953 1.00 31.34 C ATOM 0 H THR A 92 2.689 10.108 5.501 1.00 40.42 H new ATOM 0 HA THR A 92 3.814 7.532 5.555 1.00 54.22 H new ATOM 0 HB THR A 92 0.975 8.507 5.521 1.00 42.34 H new ATOM 0 HG1 THR A 92 1.280 8.110 7.836 1.00 60.21 H new ATOM 0 HG21 THR A 92 0.425 6.335 6.582 1.00 31.34 H new ATOM 0 HG22 THR A 92 1.070 6.118 4.937 1.00 31.34 H new ATOM 0 HG23 THR A 92 2.108 5.804 6.349 1.00 31.34 H new ATOM 1311 N ALA A 93 2.107 8.120 2.778 1.00 72.55 N ATOM 1312 CA ALA A 93 2.010 7.752 1.369 1.00 4.40 C ATOM 1313 C ALA A 93 3.376 7.901 0.694 1.00 41.43 C ATOM 1314 O ALA A 93 3.852 6.984 0.022 1.00 15.22 O ATOM 1315 CB ALA A 93 0.958 8.642 0.702 1.00 44.01 C ATOM 0 H ALA A 93 1.493 8.893 3.037 1.00 72.55 H new ATOM 0 HA ALA A 93 1.706 6.710 1.270 1.00 4.40 H new ATOM 0 HB1 ALA A 93 0.874 8.379 -0.352 1.00 44.01 H new ATOM 0 HB2 ALA A 93 -0.005 8.495 1.190 1.00 44.01 H new ATOM 0 HB3 ALA A 93 1.255 9.687 0.792 1.00 44.01 H new ATOM 1321 N LYS A 94 4.013 9.054 0.906 1.00 73.42 N ATOM 1322 CA LYS A 94 5.213 9.479 0.195 1.00 63.53 C ATOM 1323 C LYS A 94 6.469 8.639 0.462 1.00 75.25 C ATOM 1324 O LYS A 94 7.450 8.779 -0.265 1.00 53.12 O ATOM 1325 CB LYS A 94 5.433 10.956 0.537 1.00 41.05 C ATOM 1326 CG LYS A 94 6.275 11.657 -0.524 1.00 72.55 C ATOM 1327 CD LYS A 94 6.169 13.175 -0.425 1.00 64.11 C ATOM 1328 CE LYS A 94 7.030 13.700 0.729 1.00 44.15 C ATOM 1329 NZ LYS A 94 7.715 14.968 0.411 1.00 64.23 N ATOM 0 H LYS A 94 3.697 9.735 1.597 1.00 73.42 H new ATOM 0 HA LYS A 94 5.045 9.328 -0.871 1.00 63.53 H new ATOM 0 HB2 LYS A 94 4.469 11.457 0.627 1.00 41.05 H new ATOM 0 HB3 LYS A 94 5.926 11.037 1.506 1.00 41.05 H new ATOM 0 HG2 LYS A 94 7.318 11.358 -0.415 1.00 72.55 H new ATOM 0 HG3 LYS A 94 5.953 11.335 -1.514 1.00 72.55 H new ATOM 0 HD2 LYS A 94 6.490 13.630 -1.362 1.00 64.11 H new ATOM 0 HD3 LYS A 94 5.129 13.463 -0.271 1.00 64.11 H new ATOM 0 HE2 LYS A 94 6.401 13.844 1.607 1.00 44.15 H new ATOM 0 HE3 LYS A 94 7.774 12.948 0.990 1.00 44.15 H new ATOM 0 HZ1 LYS A 94 8.281 15.272 1.229 1.00 64.23 H new ATOM 0 HZ2 LYS A 94 8.339 14.829 -0.409 1.00 64.23 H new ATOM 0 HZ3 LYS A 94 7.008 15.698 0.189 1.00 64.23 H new ATOM 1339 N TYR A 95 6.479 7.776 1.481 1.00 72.32 N ATOM 1340 CA TYR A 95 7.550 6.796 1.661 1.00 61.45 C ATOM 1341 C TYR A 95 7.159 5.423 1.112 1.00 54.45 C ATOM 1342 O TYR A 95 8.033 4.694 0.639 1.00 63.51 O ATOM 1343 CB TYR A 95 7.956 6.704 3.143 1.00 73.54 C ATOM 1344 CG TYR A 95 8.940 7.768 3.593 1.00 24.32 C ATOM 1345 CD1 TYR A 95 10.306 7.607 3.297 1.00 75.34 C ATOM 1346 CD2 TYR A 95 8.514 8.911 4.295 1.00 55.23 C ATOM 1347 CE1 TYR A 95 11.233 8.597 3.658 1.00 62.35 C ATOM 1348 CE2 TYR A 95 9.435 9.910 4.658 1.00 12.01 C ATOM 1349 CZ TYR A 95 10.800 9.762 4.327 1.00 3.31 C ATOM 1350 OH TYR A 95 11.709 10.712 4.673 1.00 11.43 O ATOM 0 H TYR A 95 5.753 7.737 2.197 1.00 72.32 H new ATOM 0 HA TYR A 95 8.412 7.138 1.089 1.00 61.45 H new ATOM 0 HB2 TYR A 95 7.058 6.774 3.758 1.00 73.54 H new ATOM 0 HB3 TYR A 95 8.393 5.722 3.327 1.00 73.54 H new ATOM 0 HD1 TYR A 95 10.643 6.716 2.789 1.00 75.34 H new ATOM 0 HD2 TYR A 95 7.472 9.022 4.557 1.00 55.23 H new ATOM 0 HE1 TYR A 95 12.279 8.467 3.424 1.00 62.35 H new ATOM 0 HE2 TYR A 95 9.099 10.789 5.189 1.00 12.01 H new ATOM 0 HH TYR A 95 11.253 11.452 5.125 1.00 11.43 H new ATOM 1359 N ARG A 96 5.885 5.016 1.185 1.00 41.01 N ATOM 1360 CA ARG A 96 5.512 3.663 0.776 1.00 40.02 C ATOM 1361 C ARG A 96 5.436 3.479 -0.733 1.00 71.51 C ATOM 1362 O ARG A 96 5.846 2.414 -1.190 1.00 74.51 O ATOM 1363 CB ARG A 96 4.231 3.183 1.439 1.00 71.45 C ATOM 1364 CG ARG A 96 3.028 4.078 1.181 1.00 34.13 C ATOM 1365 CD ARG A 96 1.774 3.581 1.878 1.00 54.04 C ATOM 1366 NE ARG A 96 1.920 3.357 3.325 1.00 35.54 N ATOM 1367 CZ ARG A 96 0.947 3.537 4.220 1.00 0.24 C ATOM 1368 NH1 ARG A 96 -0.235 3.999 3.835 1.00 53.25 N ATOM 1369 NH2 ARG A 96 1.177 3.267 5.500 1.00 72.24 N ATOM 0 H ARG A 96 5.112 5.593 1.517 1.00 41.01 H new ATOM 0 HA ARG A 96 6.330 3.036 1.130 1.00 40.02 H new ATOM 0 HB2 ARG A 96 4.005 2.177 1.085 1.00 71.45 H new ATOM 0 HB3 ARG A 96 4.395 3.113 2.514 1.00 71.45 H new ATOM 0 HG2 ARG A 96 3.252 5.089 1.520 1.00 34.13 H new ATOM 0 HG3 ARG A 96 2.845 4.135 0.108 1.00 34.13 H new ATOM 0 HD2 ARG A 96 0.974 4.304 1.715 1.00 54.04 H new ATOM 0 HD3 ARG A 96 1.461 2.648 1.410 1.00 54.04 H new ATOM 0 HE ARG A 96 2.828 3.042 3.667 1.00 35.54 H new ATOM 0 HH11 ARG A 96 -0.402 4.218 2.853 1.00 53.25 H new ATOM 0 HH12 ARG A 96 -0.977 4.136 4.521 1.00 53.25 H new ATOM 0 HH21 ARG A 96 2.092 2.925 5.793 1.00 72.24 H new ATOM 0 HH22 ARG A 96 0.438 3.402 6.190 1.00 72.24 H new ATOM 1380 N ALA A 97 4.966 4.460 -1.508 1.00 12.24 N ATOM 1381 CA ALA A 97 4.925 4.279 -2.952 1.00 72.21 C ATOM 1382 C ALA A 97 6.353 4.099 -3.477 1.00 63.24 C ATOM 1383 O ALA A 97 6.648 3.138 -4.187 1.00 51.05 O ATOM 1384 CB ALA A 97 4.222 5.436 -3.637 1.00 2.32 C ATOM 0 H ALA A 97 4.620 5.358 -1.170 1.00 12.24 H new ATOM 0 HA ALA A 97 4.347 3.384 -3.182 1.00 72.21 H new ATOM 0 HB1 ALA A 97 4.210 5.268 -4.714 1.00 2.32 H new ATOM 0 HB2 ALA A 97 3.198 5.509 -3.269 1.00 2.32 H new ATOM 0 HB3 ALA A 97 4.752 6.363 -3.421 1.00 2.32 H new ATOM 1390 N ARG A 98 7.270 4.959 -3.028 1.00 43.24 N ATOM 1391 CA ARG A 98 8.709 4.843 -3.254 1.00 21.12 C ATOM 1392 C ARG A 98 9.253 3.457 -2.892 1.00 1.31 C ATOM 1393 O ARG A 98 10.189 2.973 -3.529 1.00 40.03 O ATOM 1394 CB ARG A 98 9.401 5.976 -2.465 1.00 34.34 C ATOM 1395 CG ARG A 98 9.666 7.183 -3.374 1.00 15.13 C ATOM 1396 CD ARG A 98 10.023 8.433 -2.570 1.00 22.14 C ATOM 1397 NE ARG A 98 10.578 9.483 -3.441 1.00 31.11 N ATOM 1398 CZ ARG A 98 10.407 10.804 -3.298 1.00 43.42 C ATOM 1399 NH1 ARG A 98 9.654 11.290 -2.315 1.00 23.22 N ATOM 1400 NH2 ARG A 98 11.003 11.634 -4.147 1.00 24.43 N ATOM 0 H ARG A 98 7.021 5.782 -2.479 1.00 43.24 H new ATOM 0 HA ARG A 98 8.923 4.951 -4.317 1.00 21.12 H new ATOM 0 HB2 ARG A 98 8.775 6.277 -1.625 1.00 34.34 H new ATOM 0 HB3 ARG A 98 10.341 5.615 -2.048 1.00 34.34 H new ATOM 0 HG2 ARG A 98 10.479 6.949 -4.061 1.00 15.13 H new ATOM 0 HG3 ARG A 98 8.783 7.381 -3.981 1.00 15.13 H new ATOM 0 HD2 ARG A 98 9.134 8.809 -2.063 1.00 22.14 H new ATOM 0 HD3 ARG A 98 10.747 8.177 -1.797 1.00 22.14 H new ATOM 0 HE ARG A 98 11.147 9.175 -4.229 1.00 31.11 H new ATOM 0 HH11 ARG A 98 9.199 10.655 -1.659 1.00 23.22 H new ATOM 0 HH12 ARG A 98 9.532 12.298 -2.217 1.00 23.22 H new ATOM 0 HH21 ARG A 98 11.584 11.264 -4.899 1.00 24.43 H new ATOM 0 HH22 ARG A 98 10.879 12.642 -4.047 1.00 24.43 H new ATOM 1411 N LEU A 99 8.691 2.804 -1.871 1.00 64.25 N ATOM 1412 CA LEU A 99 9.077 1.458 -1.447 1.00 74.13 C ATOM 1413 C LEU A 99 8.629 0.456 -2.504 1.00 4.43 C ATOM 1414 O LEU A 99 9.437 -0.330 -2.995 1.00 44.14 O ATOM 1415 CB LEU A 99 8.468 1.165 -0.063 1.00 40.04 C ATOM 1416 CG LEU A 99 9.254 0.156 0.782 1.00 22.33 C ATOM 1417 CD1 LEU A 99 8.713 0.204 2.218 1.00 55.23 C ATOM 1418 CD2 LEU A 99 9.221 -1.264 0.287 1.00 21.31 C ATOM 0 H LEU A 99 7.942 3.204 -1.307 1.00 64.25 H new ATOM 0 HA LEU A 99 10.160 1.376 -1.351 1.00 74.13 H new ATOM 0 HB2 LEU A 99 8.392 2.101 0.491 1.00 40.04 H new ATOM 0 HB3 LEU A 99 7.453 0.792 -0.199 1.00 40.04 H new ATOM 0 HG LEU A 99 10.300 0.456 0.717 1.00 22.33 H new ATOM 0 HD11 LEU A 99 9.260 -0.508 2.837 1.00 55.23 H new ATOM 0 HD12 LEU A 99 8.841 1.209 2.621 1.00 55.23 H new ATOM 0 HD13 LEU A 99 7.654 -0.055 2.217 1.00 55.23 H new ATOM 0 HD21 LEU A 99 9.807 -1.896 0.955 1.00 21.31 H new ATOM 0 HD22 LEU A 99 8.190 -1.618 0.265 1.00 21.31 H new ATOM 0 HD23 LEU A 99 9.642 -1.309 -0.717 1.00 21.31 H new ATOM 1429 N MET A 100 7.353 0.522 -2.882 1.00 52.45 N ATOM 1430 CA MET A 100 6.788 -0.326 -3.918 1.00 62.24 C ATOM 1431 C MET A 100 7.539 -0.171 -5.240 1.00 31.10 C ATOM 1432 O MET A 100 7.770 -1.180 -5.894 1.00 63.51 O ATOM 1433 CB MET A 100 5.304 -0.037 -4.126 1.00 34.31 C ATOM 1434 CG MET A 100 4.458 -0.587 -2.989 1.00 23.23 C ATOM 1435 SD MET A 100 4.639 -2.369 -2.755 1.00 11.12 S ATOM 1436 CE MET A 100 3.515 -2.533 -1.387 1.00 73.45 C ATOM 0 H MET A 100 6.682 1.172 -2.472 1.00 52.45 H new ATOM 0 HA MET A 100 6.897 -1.356 -3.578 1.00 62.24 H new ATOM 0 HB2 MET A 100 5.151 1.039 -4.206 1.00 34.31 H new ATOM 0 HB3 MET A 100 4.977 -0.476 -5.068 1.00 34.31 H new ATOM 0 HG2 MET A 100 4.730 -0.077 -2.065 1.00 23.23 H new ATOM 0 HG3 MET A 100 3.410 -0.358 -3.183 1.00 23.23 H new ATOM 0 HE1 MET A 100 3.349 -3.590 -1.177 1.00 73.45 H new ATOM 0 HE2 MET A 100 3.940 -2.051 -0.507 1.00 73.45 H new ATOM 0 HE3 MET A 100 2.566 -2.059 -1.637 1.00 73.45 H new ATOM 1444 N LYS A 101 7.964 1.045 -5.622 1.00 71.31 N ATOM 1445 CA LYS A 101 8.793 1.251 -6.813 1.00 54.25 C ATOM 1446 C LYS A 101 10.010 0.339 -6.756 1.00 55.23 C ATOM 1447 O LYS A 101 10.239 -0.377 -7.719 1.00 53.21 O ATOM 1448 CB LYS A 101 9.203 2.728 -6.986 1.00 72.33 C ATOM 1449 CG LYS A 101 10.180 2.984 -8.159 1.00 32.12 C ATOM 1450 CD LYS A 101 9.575 2.735 -9.553 1.00 20.14 C ATOM 1451 CE LYS A 101 10.184 1.575 -10.356 1.00 55.45 C ATOM 1452 NZ LYS A 101 11.457 1.937 -11.013 1.00 71.53 N ATOM 0 H LYS A 101 7.743 1.903 -5.117 1.00 71.31 H new ATOM 0 HA LYS A 101 8.199 0.992 -7.690 1.00 54.25 H new ATOM 0 HB2 LYS A 101 8.305 3.327 -7.139 1.00 72.33 H new ATOM 0 HB3 LYS A 101 9.664 3.076 -6.062 1.00 72.33 H new ATOM 0 HG2 LYS A 101 10.530 4.015 -8.107 1.00 32.12 H new ATOM 0 HG3 LYS A 101 11.054 2.344 -8.035 1.00 32.12 H new ATOM 0 HD2 LYS A 101 8.508 2.548 -9.435 1.00 20.14 H new ATOM 0 HD3 LYS A 101 9.676 3.648 -10.139 1.00 20.14 H new ATOM 0 HE2 LYS A 101 10.352 0.728 -9.691 1.00 55.45 H new ATOM 0 HE3 LYS A 101 9.470 1.249 -11.113 1.00 55.45 H new ATOM 0 HZ1 LYS A 101 11.856 1.099 -11.483 1.00 71.53 H new ATOM 0 HZ2 LYS A 101 11.284 2.681 -11.719 1.00 71.53 H new ATOM 0 HZ3 LYS A 101 12.129 2.286 -10.300 1.00 71.53 H new ATOM 1462 N LYS A 102 10.782 0.341 -5.664 1.00 74.44 N ATOM 1463 CA LYS A 102 11.978 -0.482 -5.566 1.00 33.43 C ATOM 1464 C LYS A 102 11.649 -1.952 -5.772 1.00 60.41 C ATOM 1465 O LYS A 102 12.287 -2.598 -6.596 1.00 34.10 O ATOM 1466 CB LYS A 102 12.671 -0.266 -4.235 1.00 55.34 C ATOM 1467 CG LYS A 102 13.260 1.142 -4.184 1.00 35.32 C ATOM 1468 CD LYS A 102 14.251 1.286 -3.036 1.00 32.24 C ATOM 1469 CE LYS A 102 15.700 1.198 -3.528 1.00 34.12 C ATOM 1470 NZ LYS A 102 16.668 1.657 -2.515 1.00 24.14 N ATOM 0 H LYS A 102 10.594 0.907 -4.837 1.00 74.44 H new ATOM 0 HA LYS A 102 12.661 -0.178 -6.359 1.00 33.43 H new ATOM 0 HB2 LYS A 102 11.962 -0.404 -3.418 1.00 55.34 H new ATOM 0 HB3 LYS A 102 13.460 -1.006 -4.101 1.00 55.34 H new ATOM 0 HG2 LYS A 102 13.758 1.364 -5.128 1.00 35.32 H new ATOM 0 HG3 LYS A 102 12.457 1.870 -4.068 1.00 35.32 H new ATOM 0 HD2 LYS A 102 14.093 2.242 -2.536 1.00 32.24 H new ATOM 0 HD3 LYS A 102 14.069 0.506 -2.297 1.00 32.24 H new ATOM 0 HE2 LYS A 102 15.926 0.167 -3.801 1.00 34.12 H new ATOM 0 HE3 LYS A 102 15.811 1.799 -4.431 1.00 34.12 H new ATOM 0 HZ1 LYS A 102 17.509 1.045 -2.536 1.00 24.14 H new ATOM 0 HZ2 LYS A 102 16.948 2.637 -2.721 1.00 24.14 H new ATOM 0 HZ3 LYS A 102 16.231 1.613 -1.572 1.00 24.14 H new ATOM 1480 N ILE A 103 10.659 -2.467 -5.044 1.00 54.41 N ATOM 1481 CA ILE A 103 10.186 -3.841 -5.188 1.00 63.44 C ATOM 1482 C ILE A 103 9.822 -4.125 -6.655 1.00 53.03 C ATOM 1483 O ILE A 103 10.292 -5.122 -7.192 1.00 60.41 O ATOM 1484 CB ILE A 103 9.034 -4.058 -4.183 1.00 52.32 C ATOM 1485 CG1 ILE A 103 9.587 -4.012 -2.739 1.00 52.04 C ATOM 1486 CG2 ILE A 103 8.294 -5.387 -4.391 1.00 64.13 C ATOM 1487 CD1 ILE A 103 8.515 -3.626 -1.723 1.00 3.11 C ATOM 0 H ILE A 103 10.159 -1.936 -4.331 1.00 54.41 H new ATOM 0 HA ILE A 103 10.963 -4.567 -4.947 1.00 63.44 H new ATOM 0 HB ILE A 103 8.316 -3.255 -4.353 1.00 52.32 H new ATOM 0 HG12 ILE A 103 9.998 -4.987 -2.478 1.00 52.04 H new ATOM 0 HG13 ILE A 103 10.407 -3.296 -2.689 1.00 52.04 H new ATOM 0 HG21 ILE A 103 7.497 -5.479 -3.653 1.00 64.13 H new ATOM 0 HG22 ILE A 103 7.866 -5.412 -5.393 1.00 64.13 H new ATOM 0 HG23 ILE A 103 8.993 -6.215 -4.274 1.00 64.13 H new ATOM 0 HD11 ILE A 103 8.951 -3.607 -0.724 1.00 3.11 H new ATOM 0 HD12 ILE A 103 8.122 -2.639 -1.966 1.00 3.11 H new ATOM 0 HD13 ILE A 103 7.706 -4.356 -1.752 1.00 3.11 H new ATOM 1498 N ALA A 104 9.029 -3.269 -7.308 1.00 75.43 N ATOM 1499 CA ALA A 104 8.599 -3.434 -8.696 1.00 43.35 C ATOM 1500 C ALA A 104 9.767 -3.368 -9.688 1.00 31.43 C ATOM 1501 O ALA A 104 9.689 -3.945 -10.772 1.00 41.43 O ATOM 1502 CB ALA A 104 7.578 -2.347 -9.048 1.00 54.02 C ATOM 0 H ALA A 104 8.661 -2.423 -6.874 1.00 75.43 H new ATOM 0 HA ALA A 104 8.153 -4.425 -8.779 1.00 43.35 H new ATOM 0 HB1 ALA A 104 7.258 -2.470 -10.083 1.00 54.02 H new ATOM 0 HB2 ALA A 104 6.715 -2.432 -8.388 1.00 54.02 H new ATOM 0 HB3 ALA A 104 8.035 -1.365 -8.924 1.00 54.02 H new ATOM 1508 N ASP A 105 10.841 -2.670 -9.327 1.00 23.34 N ATOM 1509 CA ASP A 105 12.013 -2.445 -10.167 1.00 11.31 C ATOM 1510 C ASP A 105 12.967 -3.625 -10.113 1.00 44.34 C ATOM 1511 O ASP A 105 13.602 -3.981 -11.107 1.00 15.30 O ATOM 1512 CB ASP A 105 12.769 -1.206 -9.680 1.00 41.02 C ATOM 1513 CG ASP A 105 13.599 -0.583 -10.789 1.00 41.31 C ATOM 1514 OD1 ASP A 105 13.015 -0.245 -11.843 1.00 43.44 O ATOM 1515 OD2 ASP A 105 14.754 -0.190 -10.523 1.00 55.41 O ATOM 0 H ASP A 105 10.921 -2.231 -8.410 1.00 23.34 H new ATOM 0 HA ASP A 105 11.662 -2.311 -11.190 1.00 11.31 H new ATOM 0 HB2 ASP A 105 12.058 -0.472 -9.301 1.00 41.02 H new ATOM 0 HB3 ASP A 105 13.419 -1.479 -8.849 1.00 41.02 H new ATOM 1519 N LEU A 106 13.060 -4.238 -8.936 1.00 2.41 N ATOM 1520 CA LEU A 106 13.782 -5.473 -8.682 1.00 61.12 C ATOM 1521 C LEU A 106 12.966 -6.688 -9.116 1.00 32.43 C ATOM 1522 O LEU A 106 13.466 -7.807 -8.994 1.00 63.43 O ATOM 1523 CB LEU A 106 14.137 -5.551 -7.185 1.00 75.55 C ATOM 1524 CG LEU A 106 15.037 -4.417 -6.665 1.00 60.21 C ATOM 1525 CD1 LEU A 106 15.053 -4.407 -5.135 1.00 72.41 C ATOM 1526 CD2 LEU A 106 16.463 -4.566 -7.183 1.00 40.03 C ATOM 0 H LEU A 106 12.612 -3.867 -8.098 1.00 2.41 H new ATOM 0 HA LEU A 106 14.700 -5.477 -9.270 1.00 61.12 H new ATOM 0 HB2 LEU A 106 13.212 -5.552 -6.608 1.00 75.55 H new ATOM 0 HB3 LEU A 106 14.633 -6.503 -6.995 1.00 75.55 H new ATOM 0 HG LEU A 106 14.627 -3.476 -7.031 1.00 60.21 H new ATOM 0 HD11 LEU A 106 15.694 -3.599 -4.783 1.00 72.41 H new ATOM 0 HD12 LEU A 106 14.040 -4.255 -4.762 1.00 72.41 H new ATOM 0 HD13 LEU A 106 15.436 -5.360 -4.769 1.00 72.41 H new ATOM 0 HD21 LEU A 106 17.076 -3.751 -6.799 1.00 40.03 H new ATOM 0 HD22 LEU A 106 16.874 -5.518 -6.848 1.00 40.03 H new ATOM 0 HD23 LEU A 106 16.459 -4.536 -8.273 1.00 40.03 H new ATOM 1537 N TRP A 107 11.734 -6.484 -9.593 1.00 41.04 N ATOM 1538 CA TRP A 107 10.821 -7.548 -9.933 1.00 35.33 C ATOM 1539 C TRP A 107 11.306 -8.254 -11.179 1.00 41.43 C ATOM 1540 O TRP A 107 11.460 -9.491 -11.125 1.00 24.21 O ATOM 1541 CB TRP A 107 9.394 -7.000 -10.101 1.00 0.40 C ATOM 1542 CG TRP A 107 8.318 -7.994 -9.831 1.00 31.34 C ATOM 1543 CD1 TRP A 107 7.564 -8.659 -10.736 1.00 44.01 C ATOM 1544 CD2 TRP A 107 7.742 -8.314 -8.535 1.00 20.23 C ATOM 1545 NE1 TRP A 107 6.761 -9.566 -10.065 1.00 12.11 N ATOM 1546 CE2 TRP A 107 6.755 -9.321 -8.710 1.00 33.43 C ATOM 1547 CE3 TRP A 107 7.898 -7.780 -7.242 1.00 52.21 C ATOM 1548 CZ2 TRP A 107 5.974 -9.794 -7.646 1.00 42.32 C ATOM 1549 CZ3 TRP A 107 7.103 -8.233 -6.173 1.00 60.14 C ATOM 1550 CH2 TRP A 107 6.126 -9.218 -6.377 1.00 3.22 C ATOM 0 H TRP A 107 11.349 -5.553 -9.752 1.00 41.04 H new ATOM 0 HA TRP A 107 10.791 -8.276 -9.123 1.00 35.33 H new ATOM 0 HB2 TRP A 107 9.263 -6.150 -9.431 1.00 0.40 H new ATOM 0 HB3 TRP A 107 9.279 -6.625 -11.118 1.00 0.40 H new ATOM 0 HD1 TRP A 107 7.585 -8.508 -11.805 1.00 44.01 H new ATOM 0 HE1 TRP A 107 6.241 -10.319 -10.516 1.00 12.11 H new ATOM 0 HE3 TRP A 107 8.638 -7.012 -7.068 1.00 52.21 H new ATOM 0 HZ2 TRP A 107 5.264 -10.593 -7.802 1.00 42.32 H new ATOM 0 HZ3 TRP A 107 7.247 -7.818 -5.186 1.00 60.14 H new ATOM 0 HH2 TRP A 107 5.493 -9.532 -5.560 1.00 3.22 H new