USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 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 USER MOD Set 1.2: A 72 MET CE :methyl 156:sc= -0.169 (180deg=-1.32) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0.696 USER MOD Set 2.2: A 64 LYS NZ :NH3+ -163:sc= 0.791 (180deg=0) USER MOD Set 3.1: A 36 GLN : amide:sc= -0.44 X(o=-0.68,f=-0.95) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= -0.242 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= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.32) USER MOD Single : A 54 ASN : amide:sc= 0.936 K(o=0.94,f=-0.43) USER MOD Single : A 56 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 62 MET CE :methyl -161:sc= -0.216 (180deg=-0.822) USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= -0.602 (180deg=-1.21) USER MOD Single : A 66 GLN : amide:sc= -0.0825 X(o=-0.083,f=-0.13) USER MOD Single : A 68 THR OG1 : rot 111:sc= 0.991 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0054 USER MOD Single : A 77 GLN : amide:sc= -0.944 K(o=-0.94,f=-2.6) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.0715 USER MOD Single : A 82 GLN : amide:sc= 1.01 K(o=1,f=-0.13) USER MOD Single : A 84 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.3) USER MOD Single : A 85 GLN : amide:sc= 0.0024 X(o=0.0024,f=0) USER MOD Single : A 87 ASN : amide:sc= 0.309 K(o=0.31,f=-0.72) USER MOD Single : A 89 ASN : amide:sc= -0.0441 X(o=-0.044,f=0) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0125 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 169:sc= 0 (180deg=-0.101) USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.21) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -11.588 7.504 1.755 1.00 53.41 N ATOM 280 CA VAL A 21 -11.506 6.112 2.187 1.00 62.50 C ATOM 281 C VAL A 21 -10.141 5.541 1.773 1.00 24.43 C ATOM 282 O VAL A 21 -9.572 5.959 0.760 1.00 62.14 O ATOM 283 CB VAL A 21 -12.692 5.300 1.600 1.00 64.40 C ATOM 284 CG1 VAL A 21 -12.780 3.880 2.180 1.00 21.22 C ATOM 285 CG2 VAL A 21 -14.041 5.998 1.855 1.00 62.43 C ATOM 0 HA VAL A 21 -11.585 6.044 3.272 1.00 62.50 H new ATOM 0 HB VAL A 21 -12.495 5.240 0.530 1.00 64.40 H new ATOM 0 HG11 VAL A 21 -13.627 3.357 1.735 1.00 21.22 H new ATOM 0 HG12 VAL A 21 -11.861 3.338 1.957 1.00 21.22 H new ATOM 0 HG13 VAL A 21 -12.915 3.936 3.260 1.00 21.22 H new ATOM 0 HG21 VAL A 21 -14.847 5.399 1.430 1.00 62.43 H new ATOM 0 HG22 VAL A 21 -14.197 6.106 2.928 1.00 62.43 H new ATOM 0 HG23 VAL A 21 -14.035 6.983 1.388 1.00 62.43 H new ATOM 295 N LEU A 22 -9.621 4.575 2.531 1.00 5.14 N ATOM 296 CA LEU A 22 -8.403 3.829 2.214 1.00 10.31 C ATOM 297 C LEU A 22 -8.657 2.795 1.108 1.00 70.12 C ATOM 298 O LEU A 22 -9.796 2.357 0.931 1.00 45.10 O ATOM 299 CB LEU A 22 -7.934 3.072 3.467 1.00 70.21 C ATOM 300 CG LEU A 22 -7.417 3.979 4.593 1.00 4.04 C ATOM 301 CD1 LEU A 22 -7.238 3.155 5.862 1.00 62.50 C ATOM 302 CD2 LEU A 22 -6.073 4.610 4.235 1.00 64.41 C ATOM 0 H LEU A 22 -10.049 4.281 3.409 1.00 5.14 H new ATOM 0 HA LEU A 22 -7.651 4.541 1.876 1.00 10.31 H new ATOM 0 HB2 LEU A 22 -8.762 2.475 3.848 1.00 70.21 H new ATOM 0 HB3 LEU A 22 -7.144 2.377 3.183 1.00 70.21 H new ATOM 0 HG LEU A 22 -8.148 4.774 4.742 1.00 4.04 H new ATOM 0 HD11 LEU A 22 -6.871 3.796 6.663 1.00 62.50 H new ATOM 0 HD12 LEU A 22 -8.195 2.722 6.153 1.00 62.50 H new ATOM 0 HD13 LEU A 22 -6.520 2.356 5.679 1.00 62.50 H new ATOM 0 HD21 LEU A 22 -5.739 5.245 5.056 1.00 64.41 H new ATOM 0 HD22 LEU A 22 -5.337 3.825 4.061 1.00 64.41 H new ATOM 0 HD23 LEU A 22 -6.182 5.211 3.332 1.00 64.41 H new ATOM 313 N PRO A 23 -7.624 2.325 0.392 1.00 5.45 N ATOM 314 CA PRO A 23 -7.715 1.147 -0.471 1.00 42.21 C ATOM 315 C PRO A 23 -7.925 -0.176 0.313 1.00 53.02 C ATOM 316 O PRO A 23 -7.814 -0.213 1.545 1.00 4.45 O ATOM 317 CB PRO A 23 -6.436 1.157 -1.322 1.00 5.31 C ATOM 318 CG PRO A 23 -5.468 2.062 -0.571 1.00 32.11 C ATOM 319 CD PRO A 23 -6.346 2.995 0.245 1.00 43.41 C ATOM 0 HA PRO A 23 -8.602 1.195 -1.103 1.00 42.21 H new ATOM 0 HB2 PRO A 23 -6.029 0.152 -1.435 1.00 5.31 H new ATOM 0 HB3 PRO A 23 -6.633 1.536 -2.325 1.00 5.31 H new ATOM 0 HG2 PRO A 23 -4.805 1.482 0.072 1.00 32.11 H new ATOM 0 HG3 PRO A 23 -4.835 2.620 -1.261 1.00 32.11 H new ATOM 0 HD2 PRO A 23 -5.899 3.198 1.218 1.00 43.41 H new ATOM 0 HD3 PRO A 23 -6.466 3.955 -0.257 1.00 43.41 H new ATOM 324 N PRO A 24 -8.266 -1.276 -0.386 1.00 70.40 N ATOM 325 CA PRO A 24 -8.466 -2.599 0.213 1.00 2.21 C ATOM 326 C PRO A 24 -7.145 -3.280 0.606 1.00 50.11 C ATOM 327 O PRO A 24 -6.069 -2.787 0.273 1.00 61.14 O ATOM 328 CB PRO A 24 -9.212 -3.397 -0.853 1.00 53.03 C ATOM 329 CG PRO A 24 -8.788 -2.761 -2.173 1.00 72.50 C ATOM 330 CD PRO A 24 -8.599 -1.299 -1.806 1.00 21.23 C ATOM 0 HA PRO A 24 -9.023 -2.529 1.148 1.00 2.21 H new ATOM 0 HB2 PRO A 24 -8.945 -4.453 -0.817 1.00 53.03 H new ATOM 0 HB3 PRO A 24 -10.291 -3.336 -0.712 1.00 53.03 H new ATOM 0 HG2 PRO A 24 -7.868 -3.203 -2.556 1.00 72.50 H new ATOM 0 HG3 PRO A 24 -9.548 -2.888 -2.944 1.00 72.50 H new ATOM 0 HD2 PRO A 24 -7.804 -0.848 -2.400 1.00 21.23 H new ATOM 0 HD3 PRO A 24 -9.506 -0.728 -2.002 1.00 21.23 H new ATOM 335 N THR A 25 -7.202 -4.441 1.263 1.00 21.43 N ATOM 336 CA THR A 25 -6.031 -5.229 1.677 1.00 32.23 C ATOM 337 C THR A 25 -6.254 -6.724 1.402 1.00 52.21 C ATOM 338 O THR A 25 -7.395 -7.136 1.160 1.00 53.33 O ATOM 339 CB THR A 25 -5.722 -4.981 3.172 1.00 21.14 C ATOM 340 OG1 THR A 25 -6.860 -4.570 3.906 1.00 14.21 O ATOM 341 CG2 THR A 25 -4.630 -3.926 3.335 1.00 54.41 C ATOM 0 H THR A 25 -8.086 -4.873 1.530 1.00 21.43 H new ATOM 0 HA THR A 25 -5.171 -4.908 1.090 1.00 32.23 H new ATOM 0 HB THR A 25 -5.385 -5.938 3.570 1.00 21.14 H new ATOM 0 HG1 THR A 25 -6.611 -4.429 4.843 1.00 14.21 H new ATOM 0 HG21 THR A 25 -4.431 -3.769 4.395 1.00 54.41 H new ATOM 0 HG22 THR A 25 -3.720 -4.265 2.841 1.00 54.41 H new ATOM 0 HG23 THR A 25 -4.959 -2.989 2.885 1.00 54.41 H new ATOM 349 N PRO A 26 -5.194 -7.559 1.429 1.00 30.34 N ATOM 350 CA PRO A 26 -5.361 -8.998 1.330 1.00 10.23 C ATOM 351 C PRO A 26 -6.066 -9.508 2.583 1.00 34.32 C ATOM 352 O PRO A 26 -5.728 -9.113 3.696 1.00 5.44 O ATOM 353 CB PRO A 26 -3.963 -9.601 1.173 1.00 12.32 C ATOM 354 CG PRO A 26 -3.011 -8.521 1.679 1.00 5.32 C ATOM 355 CD PRO A 26 -3.795 -7.210 1.641 1.00 50.00 C ATOM 0 HA PRO A 26 -5.975 -9.283 0.476 1.00 10.23 H new ATOM 0 HB2 PRO A 26 -3.862 -10.520 1.751 1.00 12.32 H new ATOM 0 HB3 PRO A 26 -3.756 -9.854 0.133 1.00 12.32 H new ATOM 0 HG2 PRO A 26 -2.673 -8.743 2.691 1.00 5.32 H new ATOM 0 HG3 PRO A 26 -2.122 -8.461 1.052 1.00 5.32 H new ATOM 0 HD2 PRO A 26 -3.672 -6.659 2.573 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -3.432 -6.566 0.840 1.00 50.00 H new ATOM 360 N LYS A 27 -6.994 -10.445 2.391 1.00 21.54 N ATOM 361 CA LYS A 27 -7.852 -11.091 3.393 1.00 1.35 C ATOM 362 C LYS A 27 -7.102 -12.015 4.360 1.00 62.30 C ATOM 363 O LYS A 27 -7.565 -13.116 4.671 1.00 25.33 O ATOM 364 CB LYS A 27 -9.002 -11.805 2.679 1.00 30.21 C ATOM 365 CG LYS A 27 -8.503 -12.750 1.579 1.00 63.20 C ATOM 366 CD LYS A 27 -9.351 -14.017 1.483 1.00 10.35 C ATOM 367 CE LYS A 27 -8.795 -15.097 2.423 1.00 25.44 C ATOM 368 NZ LYS A 27 -9.727 -15.464 3.500 1.00 33.44 N ATOM 0 H LYS A 27 -7.183 -10.804 1.455 1.00 21.54 H new ATOM 0 HA LYS A 27 -8.252 -10.308 4.037 1.00 1.35 H new ATOM 0 HB2 LYS A 27 -9.583 -12.372 3.406 1.00 30.21 H new ATOM 0 HB3 LYS A 27 -9.672 -11.064 2.243 1.00 30.21 H new ATOM 0 HG2 LYS A 27 -8.518 -12.231 0.621 1.00 63.20 H new ATOM 0 HG3 LYS A 27 -7.466 -13.022 1.778 1.00 63.20 H new ATOM 0 HD2 LYS A 27 -10.385 -13.793 1.745 1.00 10.35 H new ATOM 0 HD3 LYS A 27 -9.355 -14.384 0.457 1.00 10.35 H new ATOM 0 HE2 LYS A 27 -8.554 -15.987 1.841 1.00 25.44 H new ATOM 0 HE3 LYS A 27 -7.863 -14.742 2.863 1.00 25.44 H new ATOM 0 HZ1 LYS A 27 -9.294 -16.196 4.099 1.00 33.44 H new ATOM 0 HZ2 LYS A 27 -9.939 -14.625 4.077 1.00 33.44 H new ATOM 0 HZ3 LYS A 27 -10.608 -15.831 3.087 1.00 33.44 H new ATOM 378 N ASN A 28 -5.908 -11.611 4.775 1.00 10.14 N ATOM 379 CA ASN A 28 -4.949 -12.400 5.495 1.00 53.11 C ATOM 380 C ASN A 28 -4.535 -11.615 6.724 1.00 11.21 C ATOM 381 O ASN A 28 -4.463 -12.200 7.798 1.00 43.34 O ATOM 382 CB ASN A 28 -3.754 -12.725 4.589 1.00 31.44 C ATOM 383 CG ASN A 28 -4.139 -13.786 3.570 1.00 44.32 C ATOM 384 OD1 ASN A 28 -4.103 -14.974 3.855 1.00 3.32 O ATOM 385 ND2 ASN A 28 -4.563 -13.395 2.377 1.00 23.24 N ATOM 0 H ASN A 28 -5.575 -10.663 4.601 1.00 10.14 H new ATOM 0 HA ASN A 28 -5.376 -13.353 5.808 1.00 53.11 H new ATOM 0 HB2 ASN A 28 -3.421 -11.822 4.077 1.00 31.44 H new ATOM 0 HB3 ASN A 28 -2.917 -13.077 5.192 1.00 31.44 H new ATOM 0 HD21 ASN A 28 -4.862 -14.087 1.690 1.00 23.24 H new ATOM 0 HD22 ASN A 28 -4.590 -12.402 2.146 1.00 23.24 H new ATOM 391 N ILE A 29 -4.272 -10.304 6.592 1.00 13.31 N ATOM 392 CA ILE A 29 -3.877 -9.435 7.693 1.00 24.55 C ATOM 393 C ILE A 29 -4.389 -8.008 7.409 1.00 53.42 C ATOM 394 O ILE A 29 -4.559 -7.664 6.236 1.00 54.40 O ATOM 395 CB ILE A 29 -2.337 -9.450 7.875 1.00 13.31 C ATOM 396 CG1 ILE A 29 -1.526 -8.651 6.836 1.00 42.34 C ATOM 397 CG2 ILE A 29 -1.732 -10.852 7.955 1.00 30.14 C ATOM 398 CD1 ILE A 29 -1.507 -9.214 5.417 1.00 53.44 C ATOM 0 H ILE A 29 -4.332 -9.818 5.697 1.00 13.31 H new ATOM 0 HA ILE A 29 -4.318 -9.796 8.622 1.00 24.55 H new ATOM 0 HB ILE A 29 -2.244 -8.944 8.836 1.00 13.31 H new ATOM 0 HG12 ILE A 29 -1.924 -7.637 6.797 1.00 42.34 H new ATOM 0 HG13 ILE A 29 -0.497 -8.576 7.189 1.00 42.34 H new ATOM 0 HG21 ILE A 29 -0.652 -10.776 8.082 1.00 30.14 H new ATOM 0 HG22 ILE A 29 -2.160 -11.385 8.804 1.00 30.14 H new ATOM 0 HG23 ILE A 29 -1.952 -11.396 7.036 1.00 30.14 H new ATOM 0 HD11 ILE A 29 -0.906 -8.568 4.777 1.00 53.44 H new ATOM 0 HD12 ILE A 29 -1.076 -10.215 5.429 1.00 53.44 H new ATOM 0 HD13 ILE A 29 -2.525 -9.262 5.031 1.00 53.44 H new ATOM 409 N PRO A 30 -4.572 -7.153 8.430 1.00 70.40 N ATOM 410 CA PRO A 30 -4.961 -5.758 8.245 1.00 2.45 C ATOM 411 C PRO A 30 -3.763 -4.879 7.878 1.00 63.44 C ATOM 412 O PRO A 30 -2.618 -5.312 7.979 1.00 73.30 O ATOM 413 CB PRO A 30 -5.529 -5.349 9.598 1.00 34.23 C ATOM 414 CG PRO A 30 -4.711 -6.164 10.592 1.00 31.12 C ATOM 415 CD PRO A 30 -4.426 -7.467 9.845 1.00 45.33 C ATOM 0 HA PRO A 30 -5.673 -5.639 7.429 1.00 2.45 H new ATOM 0 HB2 PRO A 30 -5.420 -4.278 9.771 1.00 34.23 H new ATOM 0 HB3 PRO A 30 -6.592 -5.577 9.672 1.00 34.23 H new ATOM 0 HG2 PRO A 30 -3.790 -5.651 10.868 1.00 31.12 H new ATOM 0 HG3 PRO A 30 -5.264 -6.344 11.514 1.00 31.12 H new ATOM 0 HD2 PRO A 30 -3.422 -7.831 10.063 1.00 45.33 H new ATOM 0 HD3 PRO A 30 -5.122 -8.250 10.146 1.00 45.33 H new ATOM 420 N LEU A 31 -3.996 -3.604 7.548 1.00 52.42 N ATOM 421 CA LEU A 31 -2.939 -2.629 7.261 1.00 13.03 C ATOM 422 C LEU A 31 -1.790 -2.615 8.285 1.00 70.14 C ATOM 423 O LEU A 31 -0.643 -2.753 7.860 1.00 33.21 O ATOM 424 CB LEU A 31 -3.503 -1.223 7.075 1.00 21.22 C ATOM 425 CG LEU A 31 -2.334 -0.247 6.788 1.00 11.25 C ATOM 426 CD1 LEU A 31 -2.538 0.416 5.460 1.00 12.45 C ATOM 427 CD2 LEU A 31 -2.118 0.751 7.917 1.00 30.31 C ATOM 0 H LEU A 31 -4.936 -3.216 7.472 1.00 52.42 H new ATOM 0 HA LEU A 31 -2.502 -2.966 6.321 1.00 13.03 H new ATOM 0 HB2 LEU A 31 -4.217 -1.209 6.251 1.00 21.22 H new ATOM 0 HB3 LEU A 31 -4.043 -0.912 7.969 1.00 21.22 H new ATOM 0 HG LEU A 31 -1.411 -0.824 6.738 1.00 11.25 H new ATOM 0 HD11 LEU A 31 -1.713 1.101 5.265 1.00 12.45 H new ATOM 0 HD12 LEU A 31 -2.574 -0.341 4.677 1.00 12.45 H new ATOM 0 HD13 LEU A 31 -3.476 0.972 5.471 1.00 12.45 H new ATOM 0 HD21 LEU A 31 -1.288 1.411 7.665 1.00 30.31 H new ATOM 0 HD22 LEU A 31 -3.022 1.343 8.057 1.00 30.31 H new ATOM 0 HD23 LEU A 31 -1.889 0.215 8.838 1.00 30.31 H new ATOM 438 N PRO A 32 -2.005 -2.467 9.604 1.00 32.23 N ATOM 439 CA PRO A 32 -0.903 -2.434 10.564 1.00 43.21 C ATOM 440 C PRO A 32 -0.121 -3.756 10.656 1.00 22.13 C ATOM 441 O PRO A 32 0.824 -3.854 11.439 1.00 31.33 O ATOM 442 CB PRO A 32 -1.517 -1.979 11.888 1.00 12.34 C ATOM 443 CG PRO A 32 -2.991 -2.353 11.760 1.00 62.41 C ATOM 444 CD PRO A 32 -3.249 -2.134 10.275 1.00 62.21 C ATOM 0 HA PRO A 32 -0.130 -1.736 10.242 1.00 43.21 H new ATOM 0 HB2 PRO A 32 -1.051 -2.479 12.737 1.00 12.34 H new ATOM 0 HB3 PRO A 32 -1.389 -0.907 12.040 1.00 12.34 H new ATOM 0 HG2 PRO A 32 -3.177 -3.385 12.058 1.00 62.41 H new ATOM 0 HG3 PRO A 32 -3.627 -1.722 12.381 1.00 62.41 H new ATOM 0 HD2 PRO A 32 -4.065 -2.765 9.923 1.00 62.21 H new ATOM 0 HD3 PRO A 32 -3.536 -1.102 10.076 1.00 62.21 H new ATOM 449 N ALA A 33 -0.464 -4.750 9.837 1.00 31.44 N ATOM 450 CA ALA A 33 0.365 -5.883 9.499 1.00 11.02 C ATOM 451 C ALA A 33 0.821 -5.841 8.035 1.00 70.14 C ATOM 452 O ALA A 33 1.972 -6.203 7.797 1.00 50.33 O ATOM 453 CB ALA A 33 -0.435 -7.137 9.816 1.00 2.22 C ATOM 0 H ALA A 33 -1.373 -4.779 9.375 1.00 31.44 H new ATOM 0 HA ALA A 33 1.284 -5.869 10.085 1.00 11.02 H new ATOM 0 HB1 ALA A 33 0.159 -8.018 9.574 1.00 2.22 H new ATOM 0 HB2 ALA A 33 -0.687 -7.150 10.876 1.00 2.22 H new ATOM 0 HB3 ALA A 33 -1.351 -7.143 9.225 1.00 2.22 H new ATOM 459 N PHE A 34 -0.009 -5.406 7.067 1.00 12.15 N ATOM 460 CA PHE A 34 0.219 -5.659 5.641 1.00 33.51 C ATOM 461 C PHE A 34 1.500 -5.014 5.123 1.00 4.42 C ATOM 462 O PHE A 34 2.016 -5.434 4.093 1.00 44.33 O ATOM 463 CB PHE A 34 -0.987 -5.216 4.783 1.00 52.40 C ATOM 464 CG PHE A 34 -0.805 -5.422 3.273 1.00 2.22 C ATOM 465 CD1 PHE A 34 -0.305 -6.641 2.762 1.00 64.21 C ATOM 466 CD2 PHE A 34 -1.045 -4.363 2.370 1.00 52.02 C ATOM 467 CE1 PHE A 34 -0.025 -6.778 1.390 1.00 71.21 C ATOM 468 CE2 PHE A 34 -0.787 -4.506 0.995 1.00 21.35 C ATOM 469 CZ PHE A 34 -0.264 -5.712 0.506 1.00 32.52 C ATOM 0 H PHE A 34 -0.855 -4.870 7.258 1.00 12.15 H new ATOM 0 HA PHE A 34 0.337 -6.738 5.546 1.00 33.51 H new ATOM 0 HB2 PHE A 34 -1.870 -5.767 5.108 1.00 52.40 H new ATOM 0 HB3 PHE A 34 -1.183 -4.160 4.972 1.00 52.40 H new ATOM 0 HD1 PHE A 34 -0.137 -7.473 3.429 1.00 64.21 H new ATOM 0 HD2 PHE A 34 -1.434 -3.427 2.742 1.00 52.02 H new ATOM 0 HE1 PHE A 34 0.376 -7.708 1.014 1.00 71.21 H new ATOM 0 HE2 PHE A 34 -0.991 -3.690 0.318 1.00 21.35 H new ATOM 0 HZ PHE A 34 -0.046 -5.821 -0.546 1.00 32.52 H new ATOM 478 N GLY A 35 2.040 -4.013 5.809 1.00 51.30 N ATOM 479 CA GLY A 35 3.300 -3.390 5.454 1.00 53.05 C ATOM 480 C GLY A 35 4.321 -3.641 6.542 1.00 51.15 C ATOM 481 O GLY A 35 5.398 -4.167 6.264 1.00 63.12 O ATOM 0 H GLY A 35 1.605 -3.609 6.638 1.00 51.30 H new ATOM 0 HA2 GLY A 35 3.660 -3.790 4.506 1.00 53.05 H new ATOM 0 HA3 GLY A 35 3.160 -2.318 5.315 1.00 53.05 H new ATOM 485 N GLN A 36 3.960 -3.311 7.784 1.00 2.41 N ATOM 486 CA GLN A 36 4.863 -3.321 8.930 1.00 25.42 C ATOM 487 C GLN A 36 5.598 -4.653 9.111 1.00 25.23 C ATOM 488 O GLN A 36 6.714 -4.650 9.624 1.00 5.34 O ATOM 489 CB GLN A 36 4.115 -2.984 10.232 1.00 31.23 C ATOM 490 CG GLN A 36 3.126 -1.817 10.138 1.00 1.11 C ATOM 491 CD GLN A 36 2.630 -1.330 11.498 1.00 25.54 C ATOM 492 OE1 GLN A 36 3.024 -1.816 12.560 1.00 1.12 O ATOM 493 NE2 GLN A 36 1.740 -0.352 11.490 1.00 54.32 N ATOM 0 H GLN A 36 3.011 -3.024 8.023 1.00 2.41 H new ATOM 0 HA GLN A 36 5.608 -2.554 8.717 1.00 25.42 H new ATOM 0 HB2 GLN A 36 3.574 -3.871 10.560 1.00 31.23 H new ATOM 0 HB3 GLN A 36 4.849 -2.755 11.004 1.00 31.23 H new ATOM 0 HG2 GLN A 36 3.603 -0.988 9.615 1.00 1.11 H new ATOM 0 HG3 GLN A 36 2.270 -2.123 9.536 1.00 1.11 H new ATOM 0 HE21 GLN A 36 1.422 0.041 10.604 1.00 54.32 H new ATOM 0 HE22 GLN A 36 1.371 0.009 12.370 1.00 54.32 H new ATOM 500 N ARG A 37 4.986 -5.782 8.732 1.00 22.54 N ATOM 501 CA ARG A 37 5.521 -7.126 8.974 1.00 62.33 C ATOM 502 C ARG A 37 5.544 -7.950 7.692 1.00 73.22 C ATOM 503 O ARG A 37 5.472 -9.175 7.743 1.00 41.31 O ATOM 504 CB ARG A 37 4.714 -7.819 10.084 1.00 42.24 C ATOM 505 CG ARG A 37 4.747 -7.003 11.382 1.00 31.23 C ATOM 506 CD ARG A 37 4.207 -7.817 12.554 1.00 71.30 C ATOM 507 NE ARG A 37 3.878 -6.949 13.695 1.00 65.41 N ATOM 508 CZ ARG A 37 3.258 -7.326 14.816 1.00 12.02 C ATOM 509 NH1 ARG A 37 2.886 -8.593 14.993 1.00 30.25 N ATOM 510 NH2 ARG A 37 2.977 -6.416 15.741 1.00 12.33 N ATOM 0 H ARG A 37 4.092 -5.786 8.241 1.00 22.54 H new ATOM 0 HA ARG A 37 6.554 -7.037 9.310 1.00 62.33 H new ATOM 0 HB2 ARG A 37 3.682 -7.950 9.759 1.00 42.24 H new ATOM 0 HB3 ARG A 37 5.120 -8.814 10.266 1.00 42.24 H new ATOM 0 HG2 ARG A 37 5.770 -6.690 11.593 1.00 31.23 H new ATOM 0 HG3 ARG A 37 4.154 -6.096 11.261 1.00 31.23 H new ATOM 0 HD2 ARG A 37 3.318 -8.364 12.241 1.00 71.30 H new ATOM 0 HD3 ARG A 37 4.947 -8.558 12.858 1.00 71.30 H new ATOM 0 HE ARG A 37 4.149 -5.968 13.623 1.00 65.41 H new ATOM 0 HH11 ARG A 37 3.074 -9.286 14.268 1.00 30.25 H new ATOM 0 HH12 ARG A 37 2.413 -8.870 15.853 1.00 30.25 H new ATOM 0 HH21 ARG A 37 3.234 -5.440 15.591 1.00 12.33 H new ATOM 0 HH22 ARG A 37 2.504 -6.692 16.601 1.00 12.33 H new ATOM 521 N ILE A 38 5.562 -7.295 6.533 1.00 30.34 N ATOM 522 CA ILE A 38 5.534 -7.951 5.230 1.00 51.01 C ATOM 523 C ILE A 38 6.548 -7.199 4.368 1.00 73.25 C ATOM 524 O ILE A 38 7.623 -7.716 4.085 1.00 45.44 O ATOM 525 CB ILE A 38 4.098 -7.939 4.641 1.00 34.22 C ATOM 526 CG1 ILE A 38 2.979 -8.477 5.567 1.00 25.32 C ATOM 527 CG2 ILE A 38 4.038 -8.624 3.265 1.00 62.32 C ATOM 528 CD1 ILE A 38 2.874 -9.994 5.704 1.00 4.21 C ATOM 0 H ILE A 38 5.597 -6.277 6.473 1.00 30.34 H new ATOM 0 HA ILE A 38 5.804 -9.006 5.286 1.00 51.01 H new ATOM 0 HB ILE A 38 3.881 -6.877 4.531 1.00 34.22 H new ATOM 0 HG12 ILE A 38 3.127 -8.055 6.561 1.00 25.32 H new ATOM 0 HG13 ILE A 38 2.024 -8.101 5.200 1.00 25.32 H new ATOM 0 HG21 ILE A 38 3.016 -8.594 2.888 1.00 62.32 H new ATOM 0 HG22 ILE A 38 4.697 -8.103 2.570 1.00 62.32 H new ATOM 0 HG23 ILE A 38 4.359 -9.661 3.361 1.00 62.32 H new ATOM 0 HD11 ILE A 38 2.054 -10.243 6.378 1.00 4.21 H new ATOM 0 HD12 ILE A 38 2.686 -10.436 4.725 1.00 4.21 H new ATOM 0 HD13 ILE A 38 3.807 -10.388 6.107 1.00 4.21 H new ATOM 539 N ILE A 39 6.206 -5.955 4.027 1.00 43.04 N ATOM 540 CA ILE A 39 6.937 -4.999 3.198 1.00 71.33 C ATOM 541 C ILE A 39 8.127 -4.399 3.974 1.00 14.00 C ATOM 542 O ILE A 39 8.852 -3.563 3.449 1.00 44.42 O ATOM 543 CB ILE A 39 5.922 -3.911 2.733 1.00 43.23 C ATOM 544 CG1 ILE A 39 4.607 -4.479 2.143 1.00 14.34 C ATOM 545 CG2 ILE A 39 6.485 -2.936 1.694 1.00 73.53 C ATOM 546 CD1 ILE A 39 4.738 -5.297 0.864 1.00 61.23 C ATOM 0 H ILE A 39 5.327 -5.556 4.356 1.00 43.04 H new ATOM 0 HA ILE A 39 7.367 -5.489 2.324 1.00 71.33 H new ATOM 0 HB ILE A 39 5.714 -3.386 3.665 1.00 43.23 H new ATOM 0 HG12 ILE A 39 4.134 -5.103 2.901 1.00 14.34 H new ATOM 0 HG13 ILE A 39 3.932 -3.646 1.948 1.00 14.34 H new ATOM 0 HG21 ILE A 39 5.718 -2.211 1.422 1.00 73.53 H new ATOM 0 HG22 ILE A 39 7.345 -2.414 2.113 1.00 73.53 H new ATOM 0 HG23 ILE A 39 6.793 -3.488 0.806 1.00 73.53 H new ATOM 0 HD11 ILE A 39 3.752 -5.640 0.549 1.00 61.23 H new ATOM 0 HD12 ILE A 39 5.175 -4.679 0.080 1.00 61.23 H new ATOM 0 HD13 ILE A 39 5.380 -6.158 1.047 1.00 61.23 H new ATOM 557 N GLY A 40 8.316 -4.766 5.246 1.00 64.51 N ATOM 558 CA GLY A 40 9.443 -4.334 6.062 1.00 14.44 C ATOM 559 C GLY A 40 9.538 -2.819 6.241 1.00 51.42 C ATOM 560 O GLY A 40 10.592 -2.324 6.627 1.00 62.14 O ATOM 0 H GLY A 40 7.674 -5.384 5.742 1.00 64.51 H new ATOM 0 HA2 GLY A 40 9.367 -4.801 7.044 1.00 14.44 H new ATOM 0 HA3 GLY A 40 10.366 -4.694 5.608 1.00 14.44 H new ATOM 564 N TRP A 41 8.467 -2.066 5.968 1.00 73.44 N ATOM 565 CA TRP A 41 8.501 -0.609 5.863 1.00 23.12 C ATOM 566 C TRP A 41 8.346 0.115 7.202 1.00 14.20 C ATOM 567 O TRP A 41 8.047 1.315 7.206 1.00 71.32 O ATOM 568 CB TRP A 41 7.489 -0.157 4.791 1.00 24.24 C ATOM 569 CG TRP A 41 6.020 -0.167 5.098 1.00 54.15 C ATOM 570 CD1 TRP A 41 5.456 -0.543 6.264 1.00 14.10 C ATOM 571 CD2 TRP A 41 4.901 0.232 4.241 1.00 10.32 C ATOM 572 NE1 TRP A 41 4.116 -0.241 6.257 1.00 52.22 N ATOM 573 CE2 TRP A 41 3.711 0.212 5.026 1.00 4.03 C ATOM 574 CE3 TRP A 41 4.752 0.604 2.887 1.00 45.42 C ATOM 575 CZ2 TRP A 41 2.458 0.565 4.518 1.00 44.15 C ATOM 576 CZ3 TRP A 41 3.478 0.846 2.335 1.00 63.14 C ATOM 577 CH2 TRP A 41 2.335 0.850 3.151 1.00 64.42 C ATOM 0 H TRP A 41 7.540 -2.461 5.812 1.00 73.44 H new ATOM 0 HA TRP A 41 9.500 -0.314 5.541 1.00 23.12 H new ATOM 0 HB2 TRP A 41 7.754 0.860 4.503 1.00 24.24 H new ATOM 0 HB3 TRP A 41 7.642 -0.786 3.914 1.00 24.24 H new ATOM 0 HD1 TRP A 41 5.981 -1.013 7.083 1.00 14.10 H new ATOM 0 HE1 TRP A 41 3.500 -0.341 7.064 1.00 52.22 H new ATOM 0 HE3 TRP A 41 5.629 0.705 2.264 1.00 45.42 H new ATOM 0 HZ2 TRP A 41 1.598 0.617 5.169 1.00 44.15 H new ATOM 0 HZ3 TRP A 41 3.380 1.030 1.275 1.00 63.14 H new ATOM 0 HH2 TRP A 41 1.366 1.071 2.728 1.00 64.42 H new ATOM 587 N GLY A 42 8.467 -0.598 8.327 1.00 52.23 N ATOM 588 CA GLY A 42 8.155 -0.086 9.654 1.00 45.04 C ATOM 589 C GLY A 42 6.798 0.603 9.627 1.00 1.43 C ATOM 590 O GLY A 42 5.822 -0.016 9.205 1.00 1.42 O ATOM 0 H GLY A 42 8.791 -1.565 8.334 1.00 52.23 H new ATOM 0 HA2 GLY A 42 8.146 -0.902 10.377 1.00 45.04 H new ATOM 0 HA3 GLY A 42 8.925 0.616 9.975 1.00 45.04 H new ATOM 594 N THR A 43 6.755 1.899 9.948 1.00 34.54 N ATOM 595 CA THR A 43 5.515 2.686 9.809 1.00 62.43 C ATOM 596 C THR A 43 5.703 4.205 9.784 1.00 43.02 C ATOM 597 O THR A 43 4.740 4.970 9.888 1.00 5.24 O ATOM 598 CB THR A 43 4.462 2.338 10.896 1.00 33.30 C ATOM 599 OG1 THR A 43 4.675 1.119 11.583 1.00 2.00 O ATOM 600 CG2 THR A 43 3.095 2.278 10.211 1.00 24.20 C ATOM 0 H THR A 43 7.553 2.426 10.303 1.00 34.54 H new ATOM 0 HA THR A 43 5.154 2.389 8.824 1.00 62.43 H new ATOM 0 HB THR A 43 4.536 3.115 11.657 1.00 33.30 H new ATOM 0 HG1 THR A 43 3.965 0.988 12.245 1.00 2.00 H new ATOM 0 HG21 THR A 43 2.329 2.035 10.948 1.00 24.20 H new ATOM 0 HG22 THR A 43 2.871 3.245 9.760 1.00 24.20 H new ATOM 0 HG23 THR A 43 3.110 1.511 9.436 1.00 24.20 H new ATOM 608 N GLY A 44 6.930 4.658 9.604 1.00 52.14 N ATOM 609 CA GLY A 44 7.305 6.039 9.867 1.00 64.33 C ATOM 610 C GLY A 44 8.400 6.460 8.924 1.00 73.23 C ATOM 611 O GLY A 44 9.551 6.209 9.252 1.00 45.15 O ATOM 0 H GLY A 44 7.699 4.077 9.270 1.00 52.14 H new ATOM 0 HA2 GLY A 44 6.439 6.690 9.746 1.00 64.33 H new ATOM 0 HA3 GLY A 44 7.641 6.144 10.899 1.00 64.33 H new ATOM 615 N ALA A 45 8.017 6.986 7.753 1.00 42.21 N ATOM 616 CA ALA A 45 8.814 7.610 6.692 1.00 32.13 C ATOM 617 C ALA A 45 10.098 6.847 6.376 1.00 52.22 C ATOM 618 O ALA A 45 10.137 6.077 5.413 1.00 42.01 O ATOM 619 CB ALA A 45 9.034 9.105 6.965 1.00 23.33 C ATOM 0 H ALA A 45 7.029 6.983 7.499 1.00 42.21 H new ATOM 0 HA ALA A 45 8.231 7.546 5.773 1.00 32.13 H new ATOM 0 HB1 ALA A 45 9.628 9.538 6.160 1.00 23.33 H new ATOM 0 HB2 ALA A 45 8.070 9.611 7.017 1.00 23.33 H new ATOM 0 HB3 ALA A 45 9.560 9.228 7.912 1.00 23.33 H new ATOM 625 N GLU A 46 11.093 7.025 7.238 1.00 63.25 N ATOM 626 CA GLU A 46 12.365 6.333 7.318 1.00 30.34 C ATOM 627 C GLU A 46 12.139 4.829 7.153 1.00 42.12 C ATOM 628 O GLU A 46 12.801 4.202 6.328 1.00 43.23 O ATOM 629 CB GLU A 46 12.969 6.623 8.706 1.00 44.15 C ATOM 630 CG GLU A 46 13.531 8.041 8.890 1.00 22.40 C ATOM 631 CD GLU A 46 12.487 9.154 8.813 1.00 33.40 C ATOM 632 OE1 GLU A 46 11.699 9.357 9.774 1.00 4.24 O ATOM 633 OE2 GLU A 46 12.413 9.774 7.729 1.00 42.02 O ATOM 0 H GLU A 46 11.016 7.730 7.971 1.00 63.25 H new ATOM 0 HA GLU A 46 13.040 6.672 6.532 1.00 30.34 H new ATOM 0 HB2 GLU A 46 12.202 6.452 9.461 1.00 44.15 H new ATOM 0 HB3 GLU A 46 13.767 5.905 8.895 1.00 44.15 H new ATOM 0 HG2 GLU A 46 14.032 8.097 9.857 1.00 22.40 H new ATOM 0 HG3 GLU A 46 14.289 8.219 8.128 1.00 22.40 H new ATOM 638 N GLY A 47 11.139 4.278 7.853 1.00 43.13 N ATOM 639 CA GLY A 47 10.758 2.882 7.794 1.00 5.22 C ATOM 640 C GLY A 47 10.697 2.361 6.357 1.00 51.03 C ATOM 641 O GLY A 47 11.303 1.340 6.034 1.00 2.12 O ATOM 0 H GLY A 47 10.560 4.820 8.495 1.00 43.13 H new ATOM 0 HA2 GLY A 47 11.472 2.288 8.364 1.00 5.22 H new ATOM 0 HA3 GLY A 47 9.785 2.752 8.268 1.00 5.22 H new ATOM 645 N ALA A 48 9.951 3.065 5.498 1.00 42.15 N ATOM 646 CA ALA A 48 9.777 2.718 4.098 1.00 42.42 C ATOM 647 C ALA A 48 10.991 3.091 3.256 1.00 45.25 C ATOM 648 O ALA A 48 11.271 2.405 2.272 1.00 21.52 O ATOM 649 CB ALA A 48 8.533 3.426 3.548 1.00 52.04 C ATOM 0 H ALA A 48 9.444 3.907 5.770 1.00 42.15 H new ATOM 0 HA ALA A 48 9.657 1.636 4.038 1.00 42.42 H new ATOM 0 HB1 ALA A 48 8.401 3.167 2.498 1.00 52.04 H new ATOM 0 HB2 ALA A 48 7.655 3.111 4.112 1.00 52.04 H new ATOM 0 HB3 ALA A 48 8.657 4.505 3.642 1.00 52.04 H new ATOM 655 N ARG A 49 11.714 4.162 3.598 1.00 21.10 N ATOM 656 CA ARG A 49 12.896 4.557 2.843 1.00 72.25 C ATOM 657 C ARG A 49 13.904 3.408 2.864 1.00 72.11 C ATOM 658 O ARG A 49 14.508 3.114 1.831 1.00 54.05 O ATOM 659 CB ARG A 49 13.501 5.827 3.465 1.00 4.41 C ATOM 660 CG ARG A 49 14.638 6.388 2.601 1.00 42.23 C ATOM 661 CD ARG A 49 15.756 7.010 3.438 1.00 25.30 C ATOM 662 NE ARG A 49 16.973 7.086 2.624 1.00 42.31 N ATOM 663 CZ ARG A 49 17.748 8.143 2.395 1.00 1.10 C ATOM 664 NH1 ARG A 49 17.687 9.224 3.169 1.00 63.54 N ATOM 665 NH2 ARG A 49 18.570 8.075 1.362 1.00 61.32 N ATOM 0 H ARG A 49 11.498 4.766 4.391 1.00 21.10 H new ATOM 0 HA ARG A 49 12.629 4.775 1.809 1.00 72.25 H new ATOM 0 HB2 ARG A 49 12.724 6.582 3.581 1.00 4.41 H new ATOM 0 HB3 ARG A 49 13.878 5.601 4.463 1.00 4.41 H new ATOM 0 HG2 ARG A 49 15.051 5.589 1.986 1.00 42.23 H new ATOM 0 HG3 ARG A 49 14.237 7.139 1.921 1.00 42.23 H new ATOM 0 HD2 ARG A 49 15.465 8.005 3.775 1.00 25.30 H new ATOM 0 HD3 ARG A 49 15.936 6.411 4.331 1.00 25.30 H new ATOM 0 HE ARG A 49 17.263 6.217 2.176 1.00 42.31 H new ATOM 0 HH11 ARG A 49 17.037 9.253 3.955 1.00 63.54 H new ATOM 0 HH12 ARG A 49 18.290 10.024 2.976 1.00 63.54 H new ATOM 0 HH21 ARG A 49 18.590 7.237 0.781 1.00 61.32 H new ATOM 0 HH22 ARG A 49 19.184 8.860 1.146 1.00 61.32 H new ATOM 676 N GLN A 50 14.072 2.759 4.018 1.00 51.05 N ATOM 677 CA GLN A 50 15.086 1.748 4.231 1.00 62.12 C ATOM 678 C GLN A 50 14.790 0.465 3.470 1.00 24.54 C ATOM 679 O GLN A 50 15.711 -0.328 3.295 1.00 72.31 O ATOM 680 CB GLN A 50 15.223 1.447 5.733 1.00 43.01 C ATOM 681 CG GLN A 50 15.843 2.605 6.530 1.00 50.35 C ATOM 682 CD GLN A 50 17.213 3.004 5.985 1.00 12.13 C ATOM 683 OE1 GLN A 50 18.022 2.161 5.620 1.00 42.45 O ATOM 684 NE2 GLN A 50 17.462 4.296 5.844 1.00 32.13 N ATOM 0 H GLN A 50 13.492 2.931 4.839 1.00 51.05 H new ATOM 0 HA GLN A 50 16.026 2.146 3.847 1.00 62.12 H new ATOM 0 HB2 GLN A 50 14.239 1.219 6.142 1.00 43.01 H new ATOM 0 HB3 GLN A 50 15.837 0.556 5.864 1.00 43.01 H new ATOM 0 HG2 GLN A 50 15.175 3.466 6.498 1.00 50.35 H new ATOM 0 HG3 GLN A 50 15.939 2.315 7.576 1.00 50.35 H new ATOM 0 HE21 GLN A 50 16.776 4.984 6.154 1.00 32.13 H new ATOM 0 HE22 GLN A 50 18.340 4.603 5.425 1.00 32.13 H new ATOM 691 N ARG A 51 13.566 0.259 2.968 1.00 63.51 N ATOM 692 CA ARG A 51 13.217 -0.955 2.230 1.00 13.33 C ATOM 693 C ARG A 51 12.988 -0.689 0.741 1.00 34.31 C ATOM 694 O ARG A 51 13.309 -1.551 -0.073 1.00 42.32 O ATOM 695 CB ARG A 51 12.026 -1.648 2.934 1.00 14.41 C ATOM 696 CG ARG A 51 12.220 -3.128 3.293 1.00 64.51 C ATOM 697 CD ARG A 51 13.441 -3.426 4.185 1.00 32.11 C ATOM 698 NE ARG A 51 13.383 -4.761 4.819 1.00 63.32 N ATOM 699 CZ ARG A 51 13.338 -5.952 4.203 1.00 62.42 C ATOM 700 NH1 ARG A 51 13.350 -6.045 2.881 1.00 31.24 N ATOM 701 NH2 ARG A 51 13.283 -7.076 4.903 1.00 44.33 N ATOM 0 H ARG A 51 12.798 0.924 3.062 1.00 63.51 H new ATOM 0 HA ARG A 51 14.061 -1.644 2.247 1.00 13.33 H new ATOM 0 HB2 ARG A 51 11.803 -1.100 3.849 1.00 14.41 H new ATOM 0 HB3 ARG A 51 11.151 -1.563 2.290 1.00 14.41 H new ATOM 0 HG2 ARG A 51 11.323 -3.484 3.800 1.00 64.51 H new ATOM 0 HG3 ARG A 51 12.314 -3.701 2.371 1.00 64.51 H new ATOM 0 HD2 ARG A 51 14.348 -3.354 3.585 1.00 32.11 H new ATOM 0 HD3 ARG A 51 13.511 -2.664 4.961 1.00 32.11 H new ATOM 0 HE ARG A 51 13.376 -4.778 5.839 1.00 63.32 H new ATOM 0 HH11 ARG A 51 13.394 -5.200 2.311 1.00 31.24 H new ATOM 0 HH12 ARG A 51 13.315 -6.961 2.434 1.00 31.24 H new ATOM 0 HH21 ARG A 51 13.274 -7.042 5.922 1.00 44.33 H new ATOM 0 HH22 ARG A 51 13.249 -7.975 4.422 1.00 44.33 H new ATOM 712 N LEU A 52 12.512 0.510 0.388 1.00 34.13 N ATOM 713 CA LEU A 52 12.340 1.010 -0.976 1.00 61.53 C ATOM 714 C LEU A 52 13.646 1.017 -1.724 1.00 33.50 C ATOM 715 O LEU A 52 13.758 0.292 -2.706 1.00 44.12 O ATOM 716 CB LEU A 52 11.810 2.442 -0.908 1.00 62.33 C ATOM 717 CG LEU A 52 11.665 3.201 -2.252 1.00 50.02 C ATOM 718 CD1 LEU A 52 12.464 4.488 -2.340 1.00 64.34 C ATOM 719 CD2 LEU A 52 11.770 2.475 -3.600 1.00 1.43 C ATOM 0 H LEU A 52 12.221 1.194 1.087 1.00 34.13 H new ATOM 0 HA LEU A 52 11.643 0.356 -1.500 1.00 61.53 H new ATOM 0 HB2 LEU A 52 10.834 2.420 -0.424 1.00 62.33 H new ATOM 0 HB3 LEU A 52 12.473 3.019 -0.263 1.00 62.33 H new ATOM 0 HG LEU A 52 10.595 3.379 -2.144 1.00 50.02 H new ATOM 0 HD11 LEU A 52 12.302 4.951 -3.313 1.00 64.34 H new ATOM 0 HD12 LEU A 52 12.141 5.171 -1.555 1.00 64.34 H new ATOM 0 HD13 LEU A 52 13.524 4.267 -2.215 1.00 64.34 H new ATOM 0 HD21 LEU A 52 11.639 3.192 -4.411 1.00 1.43 H new ATOM 0 HD22 LEU A 52 12.750 2.006 -3.685 1.00 1.43 H new ATOM 0 HD23 LEU A 52 10.995 1.711 -3.663 1.00 1.43 H new ATOM 730 N GLU A 53 14.565 1.916 -1.343 1.00 70.23 N ATOM 731 CA GLU A 53 15.548 2.449 -2.290 1.00 51.15 C ATOM 732 C GLU A 53 16.544 1.387 -2.765 1.00 5.32 C ATOM 733 O GLU A 53 17.459 1.644 -3.546 1.00 3.01 O ATOM 734 CB GLU A 53 16.364 3.595 -1.650 1.00 52.14 C ATOM 735 CG GLU A 53 15.602 4.813 -1.121 1.00 23.52 C ATOM 736 CD GLU A 53 16.516 5.892 -0.539 1.00 44.11 C ATOM 737 OE1 GLU A 53 17.443 5.571 0.257 1.00 64.35 O ATOM 738 OE2 GLU A 53 16.260 7.076 -0.823 1.00 51.43 O ATOM 0 H GLU A 53 14.646 2.285 -0.395 1.00 70.23 H new ATOM 0 HA GLU A 53 14.971 2.808 -3.143 1.00 51.15 H new ATOM 0 HB2 GLU A 53 16.937 3.175 -0.823 1.00 52.14 H new ATOM 0 HB3 GLU A 53 17.083 3.947 -2.390 1.00 52.14 H new ATOM 0 HG2 GLU A 53 15.012 5.244 -1.930 1.00 23.52 H new ATOM 0 HG3 GLU A 53 14.900 4.488 -0.353 1.00 23.52 H new ATOM 743 N ASN A 54 16.420 0.203 -2.199 1.00 21.52 N ATOM 744 CA ASN A 54 17.346 -0.882 -2.190 1.00 13.34 C ATOM 745 C ASN A 54 16.486 -2.121 -1.944 1.00 74.13 C ATOM 746 O ASN A 54 16.658 -2.826 -0.945 1.00 73.12 O ATOM 747 CB ASN A 54 18.386 -0.631 -1.077 1.00 31.11 C ATOM 748 CG ASN A 54 17.772 0.088 0.116 1.00 31.31 C ATOM 749 OD1 ASN A 54 18.056 1.260 0.356 1.00 5.00 O ATOM 750 ND2 ASN A 54 16.791 -0.520 0.759 1.00 45.44 N ATOM 0 H ASN A 54 15.573 -0.034 -1.683 1.00 21.52 H new ATOM 0 HA ASN A 54 17.913 -1.001 -3.113 1.00 13.34 H new ATOM 0 HB2 ASN A 54 18.807 -1.582 -0.751 1.00 31.11 H new ATOM 0 HB3 ASN A 54 19.209 -0.038 -1.475 1.00 31.11 H new ATOM 0 HD21 ASN A 54 16.256 -0.017 1.467 1.00 45.44 H new ATOM 0 HD22 ASN A 54 16.568 -1.493 0.548 1.00 45.44 H new ATOM 756 N ILE A 55 15.479 -2.312 -2.799 1.00 13.12 N ATOM 757 CA ILE A 55 14.699 -3.536 -2.879 1.00 42.02 C ATOM 758 C ILE A 55 15.616 -4.659 -3.395 1.00 72.13 C ATOM 759 O ILE A 55 16.694 -4.382 -3.928 1.00 73.15 O ATOM 760 CB ILE A 55 13.456 -3.282 -3.768 1.00 20.33 C ATOM 761 CG1 ILE A 55 12.319 -4.272 -3.442 1.00 73.14 C ATOM 762 CG2 ILE A 55 13.800 -3.315 -5.264 1.00 73.33 C ATOM 763 CD1 ILE A 55 11.442 -3.770 -2.292 1.00 31.20 C ATOM 0 H ILE A 55 15.181 -1.601 -3.467 1.00 13.12 H new ATOM 0 HA ILE A 55 14.323 -3.851 -1.906 1.00 42.02 H new ATOM 0 HB ILE A 55 13.104 -2.276 -3.538 1.00 20.33 H new ATOM 0 HG12 ILE A 55 11.704 -4.424 -4.329 1.00 73.14 H new ATOM 0 HG13 ILE A 55 12.744 -5.241 -3.179 1.00 73.14 H new ATOM 0 HG21 ILE A 55 12.898 -3.132 -5.849 1.00 73.33 H new ATOM 0 HG22 ILE A 55 14.538 -2.544 -5.485 1.00 73.33 H new ATOM 0 HG23 ILE A 55 14.208 -4.292 -5.522 1.00 73.33 H new ATOM 0 HD11 ILE A 55 10.653 -4.495 -2.093 1.00 31.20 H new ATOM 0 HD12 ILE A 55 12.052 -3.643 -1.398 1.00 31.20 H new ATOM 0 HD13 ILE A 55 10.996 -2.814 -2.565 1.00 31.20 H new ATOM 774 N GLN A 56 15.196 -5.915 -3.267 1.00 71.55 N ATOM 775 CA GLN A 56 15.821 -7.055 -3.913 1.00 43.33 C ATOM 776 C GLN A 56 14.787 -7.672 -4.868 1.00 60.35 C ATOM 777 O GLN A 56 13.582 -7.550 -4.626 1.00 2.24 O ATOM 778 CB GLN A 56 16.254 -8.105 -2.880 1.00 33.54 C ATOM 779 CG GLN A 56 16.733 -7.572 -1.537 1.00 30.42 C ATOM 780 CD GLN A 56 17.917 -6.608 -1.611 1.00 22.30 C ATOM 781 OE1 GLN A 56 19.001 -6.966 -2.058 1.00 54.23 O ATOM 782 NE2 GLN A 56 17.785 -5.386 -1.123 1.00 54.15 N ATOM 0 H GLN A 56 14.390 -6.170 -2.695 1.00 71.55 H new ATOM 0 HA GLN A 56 16.711 -6.730 -4.451 1.00 43.33 H new ATOM 0 HB2 GLN A 56 15.414 -8.776 -2.702 1.00 33.54 H new ATOM 0 HB3 GLN A 56 17.054 -8.704 -3.315 1.00 33.54 H new ATOM 0 HG2 GLN A 56 15.902 -7.066 -1.046 1.00 30.42 H new ATOM 0 HG3 GLN A 56 17.010 -8.416 -0.906 1.00 30.42 H new ATOM 0 HE21 GLN A 56 16.886 -5.080 -0.749 1.00 54.15 H new ATOM 0 HE22 GLN A 56 18.582 -4.749 -1.120 1.00 54.15 H new ATOM 789 N PRO A 57 15.214 -8.459 -5.862 1.00 13.42 N ATOM 790 CA PRO A 57 14.339 -9.229 -6.740 1.00 21.44 C ATOM 791 C PRO A 57 13.623 -10.365 -5.991 1.00 71.35 C ATOM 792 O PRO A 57 12.584 -10.843 -6.443 1.00 14.12 O ATOM 793 CB PRO A 57 15.269 -9.763 -7.833 1.00 72.24 C ATOM 794 CG PRO A 57 16.609 -9.908 -7.116 1.00 62.52 C ATOM 795 CD PRO A 57 16.605 -8.716 -6.158 1.00 34.22 C ATOM 0 HA PRO A 57 13.532 -8.620 -7.148 1.00 21.44 H new ATOM 0 HB2 PRO A 57 14.919 -10.717 -8.228 1.00 72.24 H new ATOM 0 HB3 PRO A 57 15.336 -9.075 -8.675 1.00 72.24 H new ATOM 0 HG2 PRO A 57 16.683 -10.856 -6.583 1.00 62.52 H new ATOM 0 HG3 PRO A 57 17.447 -9.867 -7.811 1.00 62.52 H new ATOM 0 HD2 PRO A 57 17.164 -8.941 -5.250 1.00 34.22 H new ATOM 0 HD3 PRO A 57 17.076 -7.845 -6.614 1.00 34.22 H new ATOM 800 N ALA A 58 14.136 -10.796 -4.837 1.00 33.23 N ATOM 801 CA ALA A 58 13.457 -11.749 -3.967 1.00 24.34 C ATOM 802 C ALA A 58 12.448 -11.071 -3.036 1.00 54.04 C ATOM 803 O ALA A 58 11.595 -11.744 -2.460 1.00 23.13 O ATOM 804 CB ALA A 58 14.506 -12.472 -3.126 1.00 44.25 C ATOM 0 H ALA A 58 15.041 -10.489 -4.480 1.00 33.23 H new ATOM 0 HA ALA A 58 12.904 -12.446 -4.597 1.00 24.34 H new ATOM 0 HB1 ALA A 58 14.014 -13.189 -2.469 1.00 44.25 H new ATOM 0 HB2 ALA A 58 15.200 -12.997 -3.782 1.00 44.25 H new ATOM 0 HB3 ALA A 58 15.054 -11.746 -2.525 1.00 44.25 H new ATOM 810 N ASP A 59 12.545 -9.753 -2.841 1.00 44.02 N ATOM 811 CA ASP A 59 11.741 -9.032 -1.848 1.00 31.13 C ATOM 812 C ASP A 59 10.299 -8.876 -2.326 1.00 15.34 C ATOM 813 O ASP A 59 9.376 -8.711 -1.530 1.00 64.54 O ATOM 814 CB ASP A 59 12.327 -7.625 -1.627 1.00 72.12 C ATOM 815 CG ASP A 59 12.205 -7.103 -0.197 1.00 62.13 C ATOM 816 OD1 ASP A 59 11.826 -7.862 0.722 1.00 25.51 O ATOM 817 OD2 ASP A 59 12.518 -5.910 0.014 1.00 53.25 O ATOM 0 H ASP A 59 13.183 -9.155 -3.367 1.00 44.02 H new ATOM 0 HA ASP A 59 11.758 -9.606 -0.921 1.00 31.13 H new ATOM 0 HB2 ASP A 59 13.380 -7.636 -1.907 1.00 72.12 H new ATOM 0 HB3 ASP A 59 11.826 -6.928 -2.298 1.00 72.12 H new ATOM 821 N VAL A 60 10.104 -8.930 -3.641 1.00 64.44 N ATOM 822 CA VAL A 60 8.811 -8.982 -4.294 1.00 32.53 C ATOM 823 C VAL A 60 8.248 -10.401 -4.152 1.00 35.23 C ATOM 824 O VAL A 60 7.171 -10.594 -3.579 1.00 11.12 O ATOM 825 CB VAL A 60 8.963 -8.459 -5.737 1.00 20.21 C ATOM 826 CG1 VAL A 60 10.147 -9.045 -6.513 1.00 55.45 C ATOM 827 CG2 VAL A 60 7.687 -8.647 -6.547 1.00 23.14 C ATOM 0 H VAL A 60 10.880 -8.939 -4.303 1.00 64.44 H new ATOM 0 HA VAL A 60 8.072 -8.329 -3.829 1.00 32.53 H new ATOM 0 HB VAL A 60 9.169 -7.396 -5.608 1.00 20.21 H new ATOM 0 HG11 VAL A 60 10.172 -8.618 -7.516 1.00 55.45 H new ATOM 0 HG12 VAL A 60 11.076 -8.807 -5.994 1.00 55.45 H new ATOM 0 HG13 VAL A 60 10.037 -10.127 -6.582 1.00 55.45 H new ATOM 0 HG21 VAL A 60 7.838 -8.265 -7.557 1.00 23.14 H new ATOM 0 HG22 VAL A 60 7.438 -9.707 -6.593 1.00 23.14 H new ATOM 0 HG23 VAL A 60 6.871 -8.103 -6.072 1.00 23.14 H new ATOM 837 N SER A 61 8.999 -11.410 -4.600 1.00 11.40 N ATOM 838 CA SER A 61 8.685 -12.838 -4.594 1.00 71.15 C ATOM 839 C SER A 61 8.688 -13.477 -3.200 1.00 35.10 C ATOM 840 O SER A 61 8.910 -14.675 -3.052 1.00 2.23 O ATOM 841 CB SER A 61 9.612 -13.536 -5.590 1.00 4.20 C ATOM 842 OG SER A 61 9.365 -12.952 -6.861 1.00 71.43 O ATOM 0 H SER A 61 9.916 -11.233 -5.009 1.00 11.40 H new ATOM 0 HA SER A 61 7.651 -12.968 -4.913 1.00 71.15 H new ATOM 0 HB2 SER A 61 10.655 -13.408 -5.302 1.00 4.20 H new ATOM 0 HB3 SER A 61 9.417 -14.608 -5.613 1.00 4.20 H new ATOM 0 HG SER A 61 9.943 -13.372 -7.532 1.00 71.43 H new ATOM 847 N MET A 62 8.339 -12.701 -2.176 1.00 2.11 N ATOM 848 CA MET A 62 7.979 -13.165 -0.859 1.00 73.21 C ATOM 849 C MET A 62 6.562 -12.699 -0.523 1.00 71.22 C ATOM 850 O MET A 62 5.796 -13.482 0.017 1.00 22.51 O ATOM 851 CB MET A 62 9.039 -12.777 0.174 1.00 24.33 C ATOM 852 CG MET A 62 9.020 -11.299 0.564 1.00 45.45 C ATOM 853 SD MET A 62 10.216 -10.832 1.831 1.00 52.43 S ATOM 854 CE MET A 62 9.669 -11.913 3.176 1.00 61.52 C ATOM 0 H MET A 62 8.301 -11.685 -2.257 1.00 2.11 H new ATOM 0 HA MET A 62 7.960 -14.255 -0.836 1.00 73.21 H new ATOM 0 HB2 MET A 62 8.895 -13.380 1.071 1.00 24.33 H new ATOM 0 HB3 MET A 62 10.024 -13.025 -0.222 1.00 24.33 H new ATOM 0 HG2 MET A 62 9.205 -10.701 -0.328 1.00 45.45 H new ATOM 0 HG3 MET A 62 8.021 -11.044 0.917 1.00 45.45 H new ATOM 0 HE1 MET A 62 10.054 -11.538 4.124 1.00 61.52 H new ATOM 0 HE2 MET A 62 8.580 -11.931 3.209 1.00 61.52 H new ATOM 0 HE3 MET A 62 10.043 -12.923 3.006 1.00 61.52 H new ATOM 862 N ILE A 63 6.170 -11.477 -0.898 1.00 64.22 N ATOM 863 CA ILE A 63 4.911 -10.823 -0.535 1.00 4.44 C ATOM 864 C ILE A 63 3.728 -11.596 -1.117 1.00 33.12 C ATOM 865 O ILE A 63 2.687 -11.737 -0.472 1.00 73.34 O ATOM 866 CB ILE A 63 4.935 -9.363 -1.059 1.00 25.21 C ATOM 867 CG1 ILE A 63 6.131 -8.559 -0.495 1.00 70.55 C ATOM 868 CG2 ILE A 63 3.623 -8.624 -0.731 1.00 5.05 C ATOM 869 CD1 ILE A 63 6.443 -7.326 -1.347 1.00 41.22 C ATOM 0 H ILE A 63 6.753 -10.888 -1.493 1.00 64.22 H new ATOM 0 HA ILE A 63 4.798 -10.810 0.549 1.00 4.44 H new ATOM 0 HB ILE A 63 5.046 -9.432 -2.141 1.00 25.21 H new ATOM 0 HG12 ILE A 63 5.910 -8.248 0.526 1.00 70.55 H new ATOM 0 HG13 ILE A 63 7.011 -9.201 -0.450 1.00 70.55 H new ATOM 0 HG21 ILE A 63 3.675 -7.604 -1.113 1.00 5.05 H new ATOM 0 HG22 ILE A 63 2.786 -9.144 -1.197 1.00 5.05 H new ATOM 0 HG23 ILE A 63 3.479 -8.600 0.349 1.00 5.05 H new ATOM 0 HD11 ILE A 63 7.289 -6.790 -0.916 1.00 41.22 H new ATOM 0 HD12 ILE A 63 6.690 -7.638 -2.362 1.00 41.22 H new ATOM 0 HD13 ILE A 63 5.572 -6.670 -1.371 1.00 41.22 H new ATOM 880 N LYS A 64 3.901 -12.120 -2.332 1.00 42.31 N ATOM 881 CA LYS A 64 2.919 -12.948 -3.023 1.00 72.14 C ATOM 882 C LYS A 64 2.483 -14.103 -2.133 1.00 4.14 C ATOM 883 O LYS A 64 1.285 -14.316 -1.952 1.00 22.14 O ATOM 884 CB LYS A 64 3.533 -13.443 -4.343 1.00 34.43 C ATOM 885 CG LYS A 64 3.707 -12.298 -5.355 1.00 24.12 C ATOM 886 CD LYS A 64 5.093 -12.206 -6.006 1.00 40.14 C ATOM 887 CE LYS A 64 5.485 -13.422 -6.862 1.00 14.35 C ATOM 888 NZ LYS A 64 6.604 -13.105 -7.778 1.00 23.13 N ATOM 0 H LYS A 64 4.752 -11.974 -2.875 1.00 42.31 H new ATOM 0 HA LYS A 64 2.026 -12.365 -3.250 1.00 72.14 H new ATOM 0 HB2 LYS A 64 4.501 -13.903 -4.144 1.00 34.43 H new ATOM 0 HB3 LYS A 64 2.896 -14.215 -4.774 1.00 34.43 H new ATOM 0 HG2 LYS A 64 2.961 -12.413 -6.141 1.00 24.12 H new ATOM 0 HG3 LYS A 64 3.496 -11.354 -4.851 1.00 24.12 H new ATOM 0 HD2 LYS A 64 5.127 -11.313 -6.631 1.00 40.14 H new ATOM 0 HD3 LYS A 64 5.839 -12.075 -5.222 1.00 40.14 H new ATOM 0 HE2 LYS A 64 5.769 -14.249 -6.212 1.00 14.35 H new ATOM 0 HE3 LYS A 64 4.623 -13.754 -7.441 1.00 14.35 H new ATOM 0 HZ1 LYS A 64 6.656 -13.826 -8.526 1.00 23.13 H new ATOM 0 HZ2 LYS A 64 6.447 -12.171 -8.208 1.00 23.13 H new ATOM 0 HZ3 LYS A 64 7.497 -13.095 -7.245 1.00 23.13 H new ATOM 898 N LYS A 65 3.447 -14.783 -1.509 1.00 1.32 N ATOM 899 CA LYS A 65 3.217 -15.970 -0.701 1.00 12.44 C ATOM 900 C LYS A 65 2.444 -15.664 0.580 1.00 51.23 C ATOM 901 O LYS A 65 1.905 -16.587 1.184 1.00 73.50 O ATOM 902 CB LYS A 65 4.567 -16.615 -0.360 1.00 64.31 C ATOM 903 CG LYS A 65 5.277 -17.239 -1.576 1.00 24.14 C ATOM 904 CD LYS A 65 6.549 -16.483 -1.993 1.00 31.45 C ATOM 905 CE LYS A 65 7.790 -16.867 -1.162 1.00 34.14 C ATOM 906 NZ LYS A 65 7.727 -16.539 0.279 1.00 22.12 N ATOM 0 H LYS A 65 4.429 -14.513 -1.556 1.00 1.32 H new ATOM 0 HA LYS A 65 2.604 -16.658 -1.284 1.00 12.44 H new ATOM 0 HB2 LYS A 65 5.218 -15.862 0.083 1.00 64.31 H new ATOM 0 HB3 LYS A 65 4.412 -17.386 0.395 1.00 64.31 H new ATOM 0 HG2 LYS A 65 5.536 -18.272 -1.345 1.00 24.14 H new ATOM 0 HG3 LYS A 65 4.585 -17.264 -2.418 1.00 24.14 H new ATOM 0 HD2 LYS A 65 6.751 -16.680 -3.046 1.00 31.45 H new ATOM 0 HD3 LYS A 65 6.374 -15.411 -1.897 1.00 31.45 H new ATOM 0 HE2 LYS A 65 7.955 -17.940 -1.264 1.00 34.14 H new ATOM 0 HE3 LYS A 65 8.659 -16.369 -1.591 1.00 34.14 H new ATOM 0 HZ1 LYS A 65 8.692 -16.448 0.657 1.00 22.12 H new ATOM 0 HZ2 LYS A 65 7.218 -15.641 0.409 1.00 22.12 H new ATOM 0 HZ3 LYS A 65 7.226 -17.297 0.786 1.00 22.12 H new ATOM 916 N GLN A 66 2.350 -14.394 0.990 1.00 71.12 N ATOM 917 CA GLN A 66 1.557 -14.019 2.154 1.00 70.42 C ATOM 918 C GLN A 66 0.077 -13.818 1.795 1.00 45.30 C ATOM 919 O GLN A 66 -0.714 -13.506 2.688 1.00 25.43 O ATOM 920 CB GLN A 66 2.190 -12.805 2.859 1.00 44.01 C ATOM 921 CG GLN A 66 3.326 -13.238 3.802 1.00 11.32 C ATOM 922 CD GLN A 66 4.601 -13.683 3.097 1.00 64.40 C ATOM 923 OE1 GLN A 66 4.776 -14.852 2.758 1.00 12.25 O ATOM 924 NE2 GLN A 66 5.531 -12.769 2.881 1.00 32.12 N ATOM 0 H GLN A 66 2.815 -13.612 0.529 1.00 71.12 H new ATOM 0 HA GLN A 66 1.567 -14.842 2.868 1.00 70.42 H new ATOM 0 HB2 GLN A 66 2.577 -12.110 2.114 1.00 44.01 H new ATOM 0 HB3 GLN A 66 1.427 -12.272 3.426 1.00 44.01 H new ATOM 0 HG2 GLN A 66 3.565 -12.408 4.467 1.00 11.32 H new ATOM 0 HG3 GLN A 66 2.969 -14.055 4.428 1.00 11.32 H new ATOM 0 HE21 GLN A 66 5.373 -11.803 3.167 1.00 32.12 H new ATOM 0 HE22 GLN A 66 6.407 -13.030 2.428 1.00 32.12 H new ATOM 931 N GLY A 67 -0.314 -14.016 0.530 1.00 45.43 N ATOM 932 CA GLY A 67 -1.704 -13.977 0.101 1.00 2.43 C ATOM 933 C GLY A 67 -2.057 -12.705 -0.660 1.00 3.11 C ATOM 934 O GLY A 67 -3.187 -12.235 -0.552 1.00 13.24 O ATOM 0 H GLY A 67 0.340 -14.210 -0.229 1.00 45.43 H new ATOM 0 HA2 GLY A 67 -1.907 -14.841 -0.532 1.00 2.43 H new ATOM 0 HA3 GLY A 67 -2.351 -14.063 0.974 1.00 2.43 H new ATOM 938 N THR A 68 -1.101 -12.149 -1.408 1.00 1.35 N ATOM 939 CA THR A 68 -1.188 -10.845 -2.071 1.00 43.24 C ATOM 940 C THR A 68 -1.358 -11.038 -3.593 1.00 33.41 C ATOM 941 O THR A 68 -1.282 -12.175 -4.075 1.00 54.10 O ATOM 942 CB THR A 68 0.076 -10.038 -1.691 1.00 43.34 C ATOM 943 OG1 THR A 68 0.358 -10.175 -0.309 1.00 34.33 O ATOM 944 CG2 THR A 68 -0.040 -8.537 -1.979 1.00 64.40 C ATOM 0 H THR A 68 -0.209 -12.614 -1.575 1.00 1.35 H new ATOM 0 HA THR A 68 -2.062 -10.282 -1.743 1.00 43.24 H new ATOM 0 HB THR A 68 0.871 -10.452 -2.312 1.00 43.34 H new ATOM 0 HG1 THR A 68 1.177 -10.701 -0.193 1.00 34.33 H new ATOM 0 HG21 THR A 68 0.884 -8.038 -1.687 1.00 64.40 H new ATOM 0 HG22 THR A 68 -0.214 -8.383 -3.044 1.00 64.40 H new ATOM 0 HG23 THR A 68 -0.872 -8.121 -1.411 1.00 64.40 H new ATOM 952 N THR A 69 -1.569 -9.961 -4.353 1.00 0.02 N ATOM 953 CA THR A 69 -1.546 -9.893 -5.816 1.00 2.01 C ATOM 954 C THR A 69 -0.894 -8.567 -6.239 1.00 31.21 C ATOM 955 O THR A 69 -0.692 -7.690 -5.393 1.00 31.34 O ATOM 956 CB THR A 69 -2.972 -9.961 -6.387 1.00 35.52 C ATOM 957 OG1 THR A 69 -3.824 -9.081 -5.680 1.00 71.14 O ATOM 958 CG2 THR A 69 -3.560 -11.367 -6.338 1.00 32.52 C ATOM 0 H THR A 69 -1.774 -9.053 -3.935 1.00 0.02 H new ATOM 0 HA THR A 69 -0.977 -10.739 -6.202 1.00 2.01 H new ATOM 0 HB THR A 69 -2.902 -9.665 -7.434 1.00 35.52 H new ATOM 0 HG1 THR A 69 -4.729 -9.131 -6.053 1.00 71.14 H new ATOM 0 HG21 THR A 69 -4.567 -11.355 -6.754 1.00 32.52 H new ATOM 0 HG22 THR A 69 -2.935 -12.043 -6.921 1.00 32.52 H new ATOM 0 HG23 THR A 69 -3.598 -11.709 -5.304 1.00 32.52 H new ATOM 966 N LEU A 70 -0.595 -8.401 -7.534 1.00 64.33 N ATOM 967 CA LEU A 70 -0.089 -7.144 -8.086 1.00 24.55 C ATOM 968 C LEU A 70 -1.077 -6.002 -7.845 1.00 21.25 C ATOM 969 O LEU A 70 -0.661 -4.907 -7.477 1.00 15.35 O ATOM 970 CB LEU A 70 0.193 -7.333 -9.585 1.00 21.53 C ATOM 971 CG LEU A 70 0.657 -6.060 -10.318 1.00 71.30 C ATOM 972 CD1 LEU A 70 1.979 -5.513 -9.764 1.00 21.13 C ATOM 973 CD2 LEU A 70 0.841 -6.396 -11.798 1.00 40.13 C ATOM 0 H LEU A 70 -0.699 -9.140 -8.229 1.00 64.33 H new ATOM 0 HA LEU A 70 0.838 -6.874 -7.581 1.00 24.55 H new ATOM 0 HB2 LEU A 70 0.956 -8.102 -9.703 1.00 21.53 H new ATOM 0 HB3 LEU A 70 -0.711 -7.704 -10.067 1.00 21.53 H new ATOM 0 HG LEU A 70 -0.102 -5.291 -10.172 1.00 71.30 H new ATOM 0 HD11 LEU A 70 2.261 -4.616 -10.315 1.00 21.13 H new ATOM 0 HD12 LEU A 70 1.858 -5.267 -8.709 1.00 21.13 H new ATOM 0 HD13 LEU A 70 2.759 -6.266 -9.874 1.00 21.13 H new ATOM 0 HD21 LEU A 70 1.170 -5.506 -12.335 1.00 40.13 H new ATOM 0 HD22 LEU A 70 1.590 -7.181 -11.903 1.00 40.13 H new ATOM 0 HD23 LEU A 70 -0.106 -6.741 -12.213 1.00 40.13 H new ATOM 984 N GLU A 71 -2.372 -6.293 -7.990 1.00 22.52 N ATOM 985 CA GLU A 71 -3.485 -5.354 -7.874 1.00 44.10 C ATOM 986 C GLU A 71 -3.539 -4.631 -6.522 1.00 74.24 C ATOM 987 O GLU A 71 -4.142 -3.569 -6.385 1.00 54.20 O ATOM 988 CB GLU A 71 -4.760 -6.192 -8.010 1.00 53.14 C ATOM 989 CG GLU A 71 -5.932 -5.369 -8.551 1.00 24.51 C ATOM 990 CD GLU A 71 -7.264 -5.599 -7.832 1.00 42.04 C ATOM 991 OE1 GLU A 71 -7.503 -6.693 -7.295 1.00 35.21 O ATOM 992 OE2 GLU A 71 -8.037 -4.614 -7.693 1.00 74.21 O ATOM 0 H GLU A 71 -2.686 -7.240 -8.202 1.00 22.52 H new ATOM 0 HA GLU A 71 -3.372 -4.584 -8.638 1.00 44.10 H new ATOM 0 HB2 GLU A 71 -4.571 -7.034 -8.675 1.00 53.14 H new ATOM 0 HB3 GLU A 71 -5.027 -6.607 -7.038 1.00 53.14 H new ATOM 0 HG2 GLU A 71 -5.677 -4.311 -8.484 1.00 24.51 H new ATOM 0 HG3 GLU A 71 -6.062 -5.599 -9.609 1.00 24.51 H new ATOM 997 N MET A 72 -2.958 -5.254 -5.505 1.00 43.00 N ATOM 998 CA MET A 72 -2.810 -4.681 -4.172 1.00 73.14 C ATOM 999 C MET A 72 -1.800 -3.529 -4.210 1.00 60.32 C ATOM 1000 O MET A 72 -2.032 -2.446 -3.679 1.00 31.23 O ATOM 1001 CB MET A 72 -2.339 -5.772 -3.188 1.00 31.31 C ATOM 1002 CG MET A 72 -3.059 -5.691 -1.840 1.00 50.20 C ATOM 1003 SD MET A 72 -4.747 -6.361 -1.817 1.00 43.30 S ATOM 1004 CE MET A 72 -4.397 -8.092 -2.204 1.00 62.53 C ATOM 0 H MET A 72 -2.568 -6.193 -5.585 1.00 43.00 H new ATOM 0 HA MET A 72 -3.772 -4.293 -3.837 1.00 73.14 H new ATOM 0 HB2 MET A 72 -2.509 -6.754 -3.630 1.00 31.31 H new ATOM 0 HB3 MET A 72 -1.265 -5.676 -3.030 1.00 31.31 H new ATOM 0 HG2 MET A 72 -2.465 -6.223 -1.097 1.00 50.20 H new ATOM 0 HG3 MET A 72 -3.096 -4.647 -1.529 1.00 50.20 H new ATOM 0 HE1 MET A 72 -5.205 -8.720 -1.827 1.00 62.53 H new ATOM 0 HE2 MET A 72 -4.316 -8.214 -3.284 1.00 62.53 H new ATOM 0 HE3 MET A 72 -3.459 -8.387 -1.734 1.00 62.53 H new ATOM 1012 N ILE A 73 -0.626 -3.805 -4.775 1.00 32.54 N ATOM 1013 CA ILE A 73 0.555 -2.957 -4.724 1.00 33.32 C ATOM 1014 C ILE A 73 0.219 -1.655 -5.452 1.00 40.40 C ATOM 1015 O ILE A 73 0.499 -0.569 -4.956 1.00 3.04 O ATOM 1016 CB ILE A 73 1.736 -3.753 -5.346 1.00 34.55 C ATOM 1017 CG1 ILE A 73 1.931 -5.130 -4.663 1.00 64.53 C ATOM 1018 CG2 ILE A 73 3.072 -3.006 -5.343 1.00 13.42 C ATOM 1019 CD1 ILE A 73 1.975 -5.111 -3.124 1.00 72.50 C ATOM 0 H ILE A 73 -0.469 -4.664 -5.303 1.00 32.54 H new ATOM 0 HA ILE A 73 0.857 -2.687 -3.712 1.00 33.32 H new ATOM 0 HB ILE A 73 1.441 -3.891 -6.386 1.00 34.55 H new ATOM 0 HG12 ILE A 73 1.121 -5.789 -4.977 1.00 64.53 H new ATOM 0 HG13 ILE A 73 2.859 -5.569 -5.029 1.00 64.53 H new ATOM 0 HG21 ILE A 73 3.841 -3.633 -5.795 1.00 13.42 H new ATOM 0 HG22 ILE A 73 2.974 -2.083 -5.915 1.00 13.42 H new ATOM 0 HG23 ILE A 73 3.354 -2.769 -4.317 1.00 13.42 H new ATOM 0 HD11 ILE A 73 2.115 -6.126 -2.751 1.00 72.50 H new ATOM 0 HD12 ILE A 73 2.803 -4.485 -2.791 1.00 72.50 H new ATOM 0 HD13 ILE A 73 1.038 -4.709 -2.738 1.00 72.50 H new ATOM 1030 N THR A 74 -0.444 -1.740 -6.594 1.00 15.04 N ATOM 1031 CA THR A 74 -0.847 -0.624 -7.427 1.00 72.44 C ATOM 1032 C THR A 74 -1.753 0.334 -6.658 1.00 40.34 C ATOM 1033 O THR A 74 -1.486 1.539 -6.648 1.00 13.33 O ATOM 1034 CB THR A 74 -1.468 -1.194 -8.719 1.00 21.12 C ATOM 1035 OG1 THR A 74 -2.460 -2.175 -8.476 1.00 53.44 O ATOM 1036 CG2 THR A 74 -0.399 -1.931 -9.540 1.00 15.22 C ATOM 0 H THR A 74 -0.730 -2.638 -6.983 1.00 15.04 H new ATOM 0 HA THR A 74 0.009 -0.014 -7.714 1.00 72.44 H new ATOM 0 HB THR A 74 -1.896 -0.331 -9.229 1.00 21.12 H new ATOM 0 HG1 THR A 74 -2.817 -2.497 -9.330 1.00 53.44 H new ATOM 0 HG21 THR A 74 -0.849 -2.329 -10.449 1.00 15.22 H new ATOM 0 HG22 THR A 74 0.399 -1.237 -9.804 1.00 15.22 H new ATOM 0 HG23 THR A 74 0.012 -2.750 -8.950 1.00 15.22 H new ATOM 1044 N ALA A 75 -2.735 -0.206 -5.923 1.00 35.24 N ATOM 1045 CA ALA A 75 -3.740 0.609 -5.251 1.00 13.11 C ATOM 1046 C ALA A 75 -3.104 1.454 -4.152 1.00 1.34 C ATOM 1047 O ALA A 75 -3.367 2.655 -4.067 1.00 64.20 O ATOM 1048 CB ALA A 75 -4.839 -0.287 -4.679 1.00 22.45 C ATOM 0 H ALA A 75 -2.849 -1.210 -5.782 1.00 35.24 H new ATOM 0 HA ALA A 75 -4.185 1.288 -5.979 1.00 13.11 H new ATOM 0 HB1 ALA A 75 -5.586 0.328 -4.178 1.00 22.45 H new ATOM 0 HB2 ALA A 75 -5.311 -0.845 -5.488 1.00 22.45 H new ATOM 0 HB3 ALA A 75 -4.404 -0.984 -3.963 1.00 22.45 H new ATOM 1054 N TRP A 76 -2.278 0.844 -3.299 1.00 31.21 N ATOM 1055 CA TRP A 76 -1.628 1.564 -2.209 1.00 44.40 C ATOM 1056 C TRP A 76 -0.606 2.566 -2.739 1.00 14.05 C ATOM 1057 O TRP A 76 -0.419 3.620 -2.132 1.00 14.13 O ATOM 1058 CB TRP A 76 -0.993 0.579 -1.221 1.00 74.54 C ATOM 1059 CG TRP A 76 -2.013 -0.100 -0.361 1.00 25.35 C ATOM 1060 CD1 TRP A 76 -2.600 -1.291 -0.610 1.00 14.11 C ATOM 1061 CD2 TRP A 76 -2.683 0.428 0.823 1.00 72.13 C ATOM 1062 NE1 TRP A 76 -3.577 -1.529 0.329 1.00 43.01 N ATOM 1063 CE2 TRP A 76 -3.685 -0.501 1.231 1.00 71.43 C ATOM 1064 CE3 TRP A 76 -2.554 1.604 1.593 1.00 11.41 C ATOM 1065 CZ2 TRP A 76 -4.551 -0.252 2.304 1.00 64.53 C ATOM 1066 CZ3 TRP A 76 -3.357 1.818 2.730 1.00 65.40 C ATOM 1067 CH2 TRP A 76 -4.380 0.913 3.059 1.00 71.30 C ATOM 0 H TRP A 76 -2.045 -0.148 -3.345 1.00 31.21 H new ATOM 0 HA TRP A 76 -2.387 2.134 -1.674 1.00 44.40 H new ATOM 0 HB2 TRP A 76 -0.428 -0.172 -1.773 1.00 74.54 H new ATOM 0 HB3 TRP A 76 -0.283 1.110 -0.588 1.00 74.54 H new ATOM 0 HD1 TRP A 76 -2.342 -1.955 -1.422 1.00 14.11 H new ATOM 0 HE1 TRP A 76 -4.153 -2.370 0.352 1.00 43.01 H new ATOM 0 HE3 TRP A 76 -1.829 2.351 1.306 1.00 11.41 H new ATOM 0 HZ2 TRP A 76 -5.339 -0.950 2.545 1.00 64.53 H new ATOM 0 HZ3 TRP A 76 -3.185 2.683 3.353 1.00 65.40 H new ATOM 0 HH2 TRP A 76 -5.034 1.117 3.894 1.00 71.30 H new ATOM 1077 N GLN A 77 0.054 2.254 -3.853 1.00 33.52 N ATOM 1078 CA GLN A 77 0.993 3.152 -4.495 1.00 53.21 C ATOM 1079 C GLN A 77 0.284 4.436 -4.924 1.00 13.44 C ATOM 1080 O GLN A 77 0.642 5.516 -4.453 1.00 2.14 O ATOM 1081 CB GLN A 77 1.641 2.420 -5.670 1.00 61.11 C ATOM 1082 CG GLN A 77 2.698 3.280 -6.351 1.00 60.35 C ATOM 1083 CD GLN A 77 3.446 2.514 -7.429 1.00 23.50 C ATOM 1084 OE1 GLN A 77 3.481 1.286 -7.468 1.00 4.02 O ATOM 1085 NE2 GLN A 77 4.094 3.225 -8.324 1.00 44.21 N ATOM 0 H GLN A 77 -0.054 1.361 -4.334 1.00 33.52 H new ATOM 0 HA GLN A 77 1.780 3.448 -3.801 1.00 53.21 H new ATOM 0 HB2 GLN A 77 2.096 1.495 -5.317 1.00 61.11 H new ATOM 0 HB3 GLN A 77 0.875 2.142 -6.394 1.00 61.11 H new ATOM 0 HG2 GLN A 77 2.223 4.157 -6.792 1.00 60.35 H new ATOM 0 HG3 GLN A 77 3.406 3.642 -5.606 1.00 60.35 H new ATOM 0 HE21 GLN A 77 4.061 4.244 -8.287 1.00 44.21 H new ATOM 0 HE22 GLN A 77 4.630 2.758 -9.056 1.00 44.21 H new ATOM 1092 N ASP A 78 -0.733 4.307 -5.777 1.00 2.41 N ATOM 1093 CA ASP A 78 -1.484 5.419 -6.368 1.00 13.21 C ATOM 1094 C ASP A 78 -2.033 6.303 -5.259 1.00 1.32 C ATOM 1095 O ASP A 78 -1.906 7.525 -5.294 1.00 51.41 O ATOM 1096 CB ASP A 78 -2.657 4.851 -7.196 1.00 60.44 C ATOM 1097 CG ASP A 78 -2.621 5.302 -8.649 1.00 20.51 C ATOM 1098 OD1 ASP A 78 -1.866 4.677 -9.430 1.00 63.14 O ATOM 1099 OD2 ASP A 78 -3.377 6.217 -9.036 1.00 40.00 O ATOM 0 H ASP A 78 -1.069 3.395 -6.087 1.00 2.41 H new ATOM 0 HA ASP A 78 -0.828 6.006 -7.011 1.00 13.21 H new ATOM 0 HB2 ASP A 78 -2.631 3.762 -7.157 1.00 60.44 H new ATOM 0 HB3 ASP A 78 -3.599 5.163 -6.746 1.00 60.44 H new ATOM 1103 N PHE A 79 -2.587 5.661 -4.232 1.00 23.14 N ATOM 1104 CA PHE A 79 -3.172 6.318 -3.086 1.00 34.12 C ATOM 1105 C PHE A 79 -2.172 7.256 -2.412 1.00 52.31 C ATOM 1106 O PHE A 79 -2.453 8.439 -2.235 1.00 3.40 O ATOM 1107 CB PHE A 79 -3.660 5.236 -2.128 1.00 72.53 C ATOM 1108 CG PHE A 79 -4.513 5.772 -1.021 1.00 61.42 C ATOM 1109 CD1 PHE A 79 -5.810 6.228 -1.310 1.00 13.04 C ATOM 1110 CD2 PHE A 79 -4.017 5.804 0.289 1.00 1.15 C ATOM 1111 CE1 PHE A 79 -6.636 6.678 -0.273 1.00 25.31 C ATOM 1112 CE2 PHE A 79 -4.835 6.285 1.317 1.00 22.24 C ATOM 1113 CZ PHE A 79 -6.152 6.696 1.045 1.00 5.24 C ATOM 0 H PHE A 79 -2.638 4.644 -4.182 1.00 23.14 H new ATOM 0 HA PHE A 79 -4.010 6.941 -3.399 1.00 34.12 H new ATOM 0 HB2 PHE A 79 -4.227 4.492 -2.688 1.00 72.53 H new ATOM 0 HB3 PHE A 79 -2.799 4.724 -1.699 1.00 72.53 H new ATOM 0 HD1 PHE A 79 -6.169 6.231 -2.329 1.00 13.04 H new ATOM 0 HD2 PHE A 79 -3.015 5.461 0.503 1.00 1.15 H new ATOM 0 HE1 PHE A 79 -7.641 7.010 -0.486 1.00 25.31 H new ATOM 0 HE2 PHE A 79 -4.453 6.341 2.326 1.00 22.24 H new ATOM 0 HZ PHE A 79 -6.792 7.026 1.850 1.00 5.24 H new ATOM 1122 N TYR A 80 -0.999 6.746 -2.029 1.00 62.23 N ATOM 1123 CA TYR A 80 0.010 7.568 -1.377 1.00 2.40 C ATOM 1124 C TYR A 80 0.593 8.621 -2.324 1.00 72.22 C ATOM 1125 O TYR A 80 0.961 9.709 -1.883 1.00 62.25 O ATOM 1126 CB TYR A 80 1.117 6.689 -0.793 1.00 62.11 C ATOM 1127 CG TYR A 80 0.712 5.981 0.476 1.00 12.04 C ATOM 1128 CD1 TYR A 80 0.251 6.723 1.578 1.00 25.31 C ATOM 1129 CD2 TYR A 80 0.778 4.580 0.544 1.00 13.41 C ATOM 1130 CE1 TYR A 80 -0.188 6.063 2.735 1.00 30.23 C ATOM 1131 CE2 TYR A 80 0.338 3.913 1.701 1.00 65.23 C ATOM 1132 CZ TYR A 80 -0.171 4.653 2.793 1.00 61.55 C ATOM 1133 OH TYR A 80 -0.558 4.021 3.932 1.00 74.35 O ATOM 0 H TYR A 80 -0.730 5.771 -2.161 1.00 62.23 H new ATOM 0 HA TYR A 80 -0.479 8.105 -0.564 1.00 2.40 H new ATOM 0 HB2 TYR A 80 1.412 5.948 -1.536 1.00 62.11 H new ATOM 0 HB3 TYR A 80 1.993 7.306 -0.593 1.00 62.11 H new ATOM 0 HD1 TYR A 80 0.235 7.802 1.533 1.00 25.31 H new ATOM 0 HD2 TYR A 80 1.166 4.016 -0.291 1.00 13.41 H new ATOM 0 HE1 TYR A 80 -0.539 6.634 3.582 1.00 30.23 H new ATOM 0 HE2 TYR A 80 0.389 2.836 1.756 1.00 65.23 H new ATOM 0 HH TYR A 80 -0.489 3.051 3.808 1.00 74.35 H new ATOM 1142 N GLU A 81 0.708 8.334 -3.617 1.00 22.41 N ATOM 1143 CA GLU A 81 1.077 9.311 -4.645 1.00 32.24 C ATOM 1144 C GLU A 81 0.089 10.480 -4.648 1.00 54.32 C ATOM 1145 O GLU A 81 0.464 11.657 -4.677 1.00 24.21 O ATOM 1146 CB GLU A 81 1.220 8.567 -5.988 1.00 41.41 C ATOM 1147 CG GLU A 81 2.554 7.802 -5.967 1.00 63.54 C ATOM 1148 CD GLU A 81 2.844 6.937 -7.202 1.00 43.35 C ATOM 1149 OE1 GLU A 81 2.148 7.070 -8.236 1.00 64.13 O ATOM 1150 OE2 GLU A 81 3.816 6.148 -7.167 1.00 12.44 O ATOM 0 H GLU A 81 0.545 7.399 -3.990 1.00 22.41 H new ATOM 0 HA GLU A 81 2.042 9.773 -4.439 1.00 32.24 H new ATOM 0 HB2 GLU A 81 0.388 7.878 -6.133 1.00 41.41 H new ATOM 0 HB3 GLU A 81 1.198 9.272 -6.819 1.00 41.41 H new ATOM 0 HG2 GLU A 81 3.364 8.523 -5.853 1.00 63.54 H new ATOM 0 HG3 GLU A 81 2.571 7.161 -5.085 1.00 63.54 H new ATOM 1155 N GLN A 82 -1.182 10.177 -4.463 1.00 51.35 N ATOM 1156 CA GLN A 82 -2.247 11.164 -4.366 1.00 43.23 C ATOM 1157 C GLN A 82 -2.251 11.958 -3.051 1.00 31.14 C ATOM 1158 O GLN A 82 -3.024 12.908 -2.940 1.00 23.22 O ATOM 1159 CB GLN A 82 -3.593 10.506 -4.677 1.00 62.42 C ATOM 1160 CG GLN A 82 -3.841 10.449 -6.200 1.00 21.41 C ATOM 1161 CD GLN A 82 -4.068 9.041 -6.748 1.00 4.43 C ATOM 1162 OE1 GLN A 82 -4.887 8.281 -6.236 1.00 73.42 O ATOM 1163 NE2 GLN A 82 -3.410 8.701 -7.847 1.00 42.03 N ATOM 0 H GLN A 82 -1.513 9.216 -4.374 1.00 51.35 H new ATOM 0 HA GLN A 82 -2.053 11.926 -5.121 1.00 43.23 H new ATOM 0 HB2 GLN A 82 -3.613 9.498 -4.263 1.00 62.42 H new ATOM 0 HB3 GLN A 82 -4.395 11.065 -4.195 1.00 62.42 H new ATOM 0 HG2 GLN A 82 -4.709 11.063 -6.438 1.00 21.41 H new ATOM 0 HG3 GLN A 82 -2.987 10.892 -6.712 1.00 21.41 H new ATOM 0 HE21 GLN A 82 -2.734 9.346 -8.257 1.00 42.03 H new ATOM 0 HE22 GLN A 82 -3.579 7.795 -8.283 1.00 42.03 H new ATOM 1170 N GLU A 83 -1.351 11.678 -2.106 1.00 12.11 N ATOM 1171 CA GLU A 83 -1.105 12.529 -0.934 1.00 70.33 C ATOM 1172 C GLU A 83 0.051 13.508 -1.147 1.00 64.22 C ATOM 1173 O GLU A 83 0.210 14.431 -0.352 1.00 74.15 O ATOM 1174 CB GLU A 83 -0.706 11.696 0.296 1.00 34.10 C ATOM 1175 CG GLU A 83 -1.585 10.483 0.586 1.00 22.40 C ATOM 1176 CD GLU A 83 -3.013 10.814 1.037 1.00 22.22 C ATOM 1177 OE1 GLU A 83 -3.446 11.987 1.027 1.00 22.32 O ATOM 1178 OE2 GLU A 83 -3.687 9.882 1.537 1.00 34.34 O ATOM 0 H GLU A 83 -0.764 10.844 -2.131 1.00 12.11 H new ATOM 0 HA GLU A 83 -2.044 13.062 -0.782 1.00 70.33 H new ATOM 0 HB2 GLU A 83 0.321 11.355 0.163 1.00 34.10 H new ATOM 0 HB3 GLU A 83 -0.715 12.346 1.171 1.00 34.10 H new ATOM 0 HG2 GLU A 83 -1.637 9.867 -0.312 1.00 22.40 H new ATOM 0 HG3 GLU A 83 -1.106 9.881 1.358 1.00 22.40 H new ATOM 1183 N GLN A 84 0.925 13.271 -2.127 1.00 32.42 N ATOM 1184 CA GLN A 84 2.315 13.731 -2.061 1.00 3.40 C ATOM 1185 C GLN A 84 2.636 14.768 -3.125 1.00 3.42 C ATOM 1186 O GLN A 84 3.274 15.780 -2.861 1.00 24.10 O ATOM 1187 CB GLN A 84 3.214 12.494 -2.139 1.00 64.55 C ATOM 1188 CG GLN A 84 3.762 12.037 -3.501 1.00 3.03 C ATOM 1189 CD GLN A 84 4.367 10.639 -3.422 1.00 21.13 C ATOM 1190 OE1 GLN A 84 5.435 10.364 -3.960 1.00 42.15 O ATOM 1191 NE2 GLN A 84 3.707 9.705 -2.752 1.00 32.51 N ATOM 0 H GLN A 84 0.694 12.761 -2.980 1.00 32.42 H new ATOM 0 HA GLN A 84 2.493 14.251 -1.120 1.00 3.40 H new ATOM 0 HB2 GLN A 84 4.069 12.671 -1.486 1.00 64.55 H new ATOM 0 HB3 GLN A 84 2.657 11.659 -1.715 1.00 64.55 H new ATOM 0 HG2 GLN A 84 2.959 12.046 -4.238 1.00 3.03 H new ATOM 0 HG3 GLN A 84 4.518 12.743 -3.845 1.00 3.03 H new ATOM 0 HE21 GLN A 84 2.819 9.930 -2.304 1.00 32.51 H new ATOM 0 HE22 GLN A 84 4.087 8.761 -2.685 1.00 32.51 H new ATOM 1198 N GLN A 85 2.151 14.525 -4.335 1.00 30.42 N ATOM 1199 CA GLN A 85 2.224 15.459 -5.463 1.00 14.43 C ATOM 1200 C GLN A 85 1.628 16.816 -5.068 1.00 13.32 C ATOM 1201 O GLN A 85 2.095 17.866 -5.517 1.00 25.51 O ATOM 1202 CB GLN A 85 1.465 14.927 -6.690 1.00 10.40 C ATOM 1203 CG GLN A 85 1.829 13.500 -7.110 1.00 54.25 C ATOM 1204 CD GLN A 85 0.860 12.975 -8.163 1.00 25.53 C ATOM 1205 OE1 GLN A 85 1.110 13.110 -9.356 1.00 54.35 O ATOM 1206 NE2 GLN A 85 -0.273 12.423 -7.761 1.00 62.13 N ATOM 0 H GLN A 85 1.682 13.650 -4.571 1.00 30.42 H new ATOM 0 HA GLN A 85 3.277 15.570 -5.722 1.00 14.43 H new ATOM 0 HB2 GLN A 85 0.396 14.966 -6.482 1.00 10.40 H new ATOM 0 HB3 GLN A 85 1.651 15.595 -7.531 1.00 10.40 H new ATOM 0 HG2 GLN A 85 2.845 13.481 -7.505 1.00 54.25 H new ATOM 0 HG3 GLN A 85 1.814 12.846 -6.238 1.00 54.25 H new ATOM 0 HE21 GLN A 85 -0.464 12.319 -6.764 1.00 62.13 H new ATOM 0 HE22 GLN A 85 -0.955 12.102 -8.448 1.00 62.13 H new ATOM 1213 N ARG A 86 0.581 16.812 -4.238 1.00 70.51 N ATOM 1214 CA ARG A 86 -0.068 18.024 -3.744 1.00 72.21 C ATOM 1215 C ARG A 86 0.804 18.800 -2.753 1.00 41.35 C ATOM 1216 O ARG A 86 0.759 20.032 -2.786 1.00 14.24 O ATOM 1217 CB ARG A 86 -1.456 17.696 -3.158 1.00 32.52 C ATOM 1218 CG ARG A 86 -1.403 16.711 -1.981 1.00 2.02 C ATOM 1219 CD ARG A 86 -2.746 16.546 -1.259 1.00 43.24 C ATOM 1220 NE ARG A 86 -3.573 15.493 -1.861 1.00 22.52 N ATOM 1221 CZ ARG A 86 -4.813 15.161 -1.490 1.00 4.02 C ATOM 1222 NH1 ARG A 86 -5.524 15.934 -0.677 1.00 72.53 N ATOM 1223 NH2 ARG A 86 -5.347 14.043 -1.958 1.00 2.04 N ATOM 0 H ARG A 86 0.157 15.953 -3.887 1.00 70.51 H new ATOM 0 HA ARG A 86 -0.209 18.687 -4.597 1.00 72.21 H new ATOM 0 HB2 ARG A 86 -1.931 18.620 -2.828 1.00 32.52 H new ATOM 0 HB3 ARG A 86 -2.085 17.278 -3.944 1.00 32.52 H new ATOM 0 HG2 ARG A 86 -1.074 15.738 -2.347 1.00 2.02 H new ATOM 0 HG3 ARG A 86 -0.655 17.052 -1.266 1.00 2.02 H new ATOM 0 HD2 ARG A 86 -2.566 16.310 -0.210 1.00 43.24 H new ATOM 0 HD3 ARG A 86 -3.289 17.491 -1.284 1.00 43.24 H new ATOM 0 HE ARG A 86 -3.164 14.967 -2.633 1.00 22.52 H new ATOM 0 HH11 ARG A 86 -5.125 16.803 -0.321 1.00 72.53 H new ATOM 0 HH12 ARG A 86 -6.469 15.659 -0.408 1.00 72.53 H new ATOM 0 HH21 ARG A 86 -4.813 13.449 -2.592 1.00 2.04 H new ATOM 0 HH22 ARG A 86 -6.293 13.776 -1.684 1.00 2.04 H new ATOM 1234 N ASN A 87 1.590 18.140 -1.895 1.00 41.23 N ATOM 1235 CA ASN A 87 2.384 18.764 -0.840 1.00 1.10 C ATOM 1236 C ASN A 87 3.672 17.967 -0.660 1.00 65.55 C ATOM 1237 O ASN A 87 3.678 16.876 -0.088 1.00 24.23 O ATOM 1238 CB ASN A 87 1.622 18.957 0.491 1.00 53.42 C ATOM 1239 CG ASN A 87 0.676 17.838 0.890 1.00 34.30 C ATOM 1240 OD1 ASN A 87 -0.520 18.064 1.037 1.00 73.53 O ATOM 1241 ND2 ASN A 87 1.162 16.622 1.020 1.00 72.11 N ATOM 0 H ASN A 87 1.692 17.125 -1.920 1.00 41.23 H new ATOM 0 HA ASN A 87 2.621 19.780 -1.156 1.00 1.10 H new ATOM 0 HB2 ASN A 87 2.353 19.088 1.289 1.00 53.42 H new ATOM 0 HB3 ASN A 87 1.050 19.883 0.427 1.00 53.42 H new ATOM 0 HD21 ASN A 87 0.540 15.846 1.247 1.00 72.11 H new ATOM 0 HD22 ASN A 87 2.160 16.456 0.894 1.00 72.11 H new ATOM 1247 N GLU A 88 4.776 18.527 -1.153 1.00 4.02 N ATOM 1248 CA GLU A 88 6.085 17.889 -1.244 1.00 70.25 C ATOM 1249 C GLU A 88 6.621 17.486 0.129 1.00 25.41 C ATOM 1250 O GLU A 88 7.431 16.564 0.229 1.00 4.43 O ATOM 1251 CB GLU A 88 7.050 18.891 -1.900 1.00 22.30 C ATOM 1252 CG GLU A 88 6.940 18.904 -3.434 1.00 44.33 C ATOM 1253 CD GLU A 88 8.063 18.067 -4.043 1.00 65.24 C ATOM 1254 OE1 GLU A 88 9.212 18.563 -4.120 1.00 50.33 O ATOM 1255 OE2 GLU A 88 7.847 16.873 -4.364 1.00 64.12 O ATOM 0 H GLU A 88 4.781 19.480 -1.516 1.00 4.02 H new ATOM 0 HA GLU A 88 5.995 16.977 -1.835 1.00 70.25 H new ATOM 0 HB2 GLU A 88 6.845 19.891 -1.517 1.00 22.30 H new ATOM 0 HB3 GLU A 88 8.073 18.644 -1.615 1.00 22.30 H new ATOM 0 HG2 GLU A 88 5.972 18.508 -3.741 1.00 44.33 H new ATOM 0 HG3 GLU A 88 6.997 19.928 -3.803 1.00 44.33 H new ATOM 1260 N ASN A 89 6.172 18.161 1.189 1.00 14.00 N ATOM 1261 CA ASN A 89 6.731 18.037 2.531 1.00 32.21 C ATOM 1262 C ASN A 89 6.174 16.832 3.295 1.00 1.14 C ATOM 1263 O ASN A 89 6.372 16.741 4.505 1.00 72.13 O ATOM 1264 CB ASN A 89 6.567 19.363 3.298 1.00 74.24 C ATOM 1265 CG ASN A 89 7.171 20.543 2.543 1.00 65.25 C ATOM 1266 OD1 ASN A 89 6.506 21.549 2.306 1.00 5.31 O ATOM 1267 ND2 ASN A 89 8.395 20.427 2.061 1.00 1.34 N ATOM 0 H ASN A 89 5.396 18.820 1.135 1.00 14.00 H new ATOM 0 HA ASN A 89 7.798 17.838 2.435 1.00 32.21 H new ATOM 0 HB2 ASN A 89 5.508 19.550 3.474 1.00 74.24 H new ATOM 0 HB3 ASN A 89 7.043 19.277 4.275 1.00 74.24 H new ATOM 0 HD21 ASN A 89 8.791 21.174 1.490 1.00 1.34 H new ATOM 0 HD22 ASN A 89 8.944 19.591 2.260 1.00 1.34 H new ATOM 1273 N ASN A 90 5.507 15.896 2.612 1.00 45.13 N ATOM 1274 CA ASN A 90 5.092 14.608 3.161 1.00 1.40 C ATOM 1275 C ASN A 90 6.049 13.524 2.667 1.00 72.32 C ATOM 1276 O ASN A 90 5.741 12.836 1.688 1.00 10.21 O ATOM 1277 CB ASN A 90 3.635 14.284 2.771 1.00 42.35 C ATOM 1278 CG ASN A 90 2.656 14.829 3.790 1.00 25.11 C ATOM 1279 OD1 ASN A 90 2.383 16.022 3.839 1.00 65.53 O ATOM 1280 ND2 ASN A 90 2.087 13.971 4.619 1.00 44.42 N ATOM 0 H ASN A 90 5.235 16.020 1.637 1.00 45.13 H new ATOM 0 HA ASN A 90 5.131 14.651 4.249 1.00 1.40 H new ATOM 0 HB2 ASN A 90 3.416 14.708 1.791 1.00 42.35 H new ATOM 0 HB3 ASN A 90 3.511 13.204 2.686 1.00 42.35 H new ATOM 0 HD21 ASN A 90 1.412 14.300 5.309 1.00 44.42 H new ATOM 0 HD22 ASN A 90 2.323 12.980 4.568 1.00 44.42 H new ATOM 1286 N PRO A 91 7.193 13.300 3.334 1.00 22.14 N ATOM 1287 CA PRO A 91 8.107 12.224 2.975 1.00 73.14 C ATOM 1288 C PRO A 91 7.480 10.850 3.218 1.00 4.24 C ATOM 1289 O PRO A 91 7.878 9.890 2.564 1.00 22.42 O ATOM 1290 CB PRO A 91 9.324 12.399 3.884 1.00 11.03 C ATOM 1291 CG PRO A 91 8.717 13.043 5.127 1.00 73.55 C ATOM 1292 CD PRO A 91 7.666 13.969 4.536 1.00 21.52 C ATOM 0 HA PRO A 91 8.363 12.272 1.916 1.00 73.14 H new ATOM 0 HB2 PRO A 91 9.801 11.446 4.112 1.00 11.03 H new ATOM 0 HB3 PRO A 91 10.084 13.034 3.428 1.00 11.03 H new ATOM 0 HG2 PRO A 91 8.276 12.302 5.794 1.00 73.55 H new ATOM 0 HG3 PRO A 91 9.461 13.590 5.705 1.00 73.55 H new ATOM 0 HD2 PRO A 91 6.850 14.137 5.239 1.00 21.52 H new ATOM 0 HD3 PRO A 91 8.090 14.945 4.301 1.00 21.52 H new ATOM 1297 N THR A 92 6.519 10.749 4.139 1.00 14.42 N ATOM 1298 CA THR A 92 5.934 9.508 4.609 1.00 11.10 C ATOM 1299 C THR A 92 5.357 8.734 3.425 1.00 61.34 C ATOM 1300 O THR A 92 5.941 7.725 3.014 1.00 33.34 O ATOM 1301 CB THR A 92 4.926 9.846 5.723 1.00 63.25 C ATOM 1302 OG1 THR A 92 5.562 10.726 6.633 1.00 72.33 O ATOM 1303 CG2 THR A 92 4.475 8.580 6.445 1.00 34.31 C ATOM 0 H THR A 92 6.116 11.569 4.592 1.00 14.42 H new ATOM 0 HA THR A 92 6.673 8.840 5.051 1.00 11.10 H new ATOM 0 HB THR A 92 4.041 10.315 5.293 1.00 63.25 H new ATOM 0 HG1 THR A 92 4.939 10.958 7.353 1.00 72.33 H new ATOM 0 HG21 THR A 92 3.763 8.842 7.228 1.00 34.31 H new ATOM 0 HG22 THR A 92 4.000 7.905 5.733 1.00 34.31 H new ATOM 0 HG23 THR A 92 5.339 8.088 6.890 1.00 34.31 H new ATOM 1311 N ALA A 93 4.282 9.264 2.831 1.00 51.03 N ATOM 1312 CA ALA A 93 3.640 8.769 1.622 1.00 12.01 C ATOM 1313 C ALA A 93 4.683 8.550 0.518 1.00 45.42 C ATOM 1314 O ALA A 93 4.714 7.510 -0.137 1.00 1.01 O ATOM 1315 CB ALA A 93 2.593 9.800 1.187 1.00 50.01 C ATOM 0 H ALA A 93 3.818 10.092 3.205 1.00 51.03 H new ATOM 0 HA ALA A 93 3.158 7.810 1.812 1.00 12.01 H new ATOM 0 HB1 ALA A 93 2.096 9.453 0.281 1.00 50.01 H new ATOM 0 HB2 ALA A 93 1.856 9.927 1.980 1.00 50.01 H new ATOM 0 HB3 ALA A 93 3.082 10.754 0.990 1.00 50.01 H new ATOM 1321 N LYS A 94 5.564 9.537 0.351 1.00 24.42 N ATOM 1322 CA LYS A 94 6.549 9.671 -0.714 1.00 22.11 C ATOM 1323 C LYS A 94 7.713 8.672 -0.651 1.00 44.33 C ATOM 1324 O LYS A 94 8.508 8.608 -1.591 1.00 54.45 O ATOM 1325 CB LYS A 94 6.972 11.145 -0.680 1.00 2.31 C ATOM 1326 CG LYS A 94 7.868 11.604 -1.825 1.00 45.43 C ATOM 1327 CD LYS A 94 7.898 13.130 -1.947 1.00 1.10 C ATOM 1328 CE LYS A 94 8.579 13.802 -0.741 1.00 70.33 C ATOM 1329 NZ LYS A 94 9.807 14.543 -1.107 1.00 2.24 N ATOM 0 H LYS A 94 5.608 10.318 1.006 1.00 24.42 H new ATOM 0 HA LYS A 94 6.115 9.406 -1.678 1.00 22.11 H new ATOM 0 HB2 LYS A 94 6.073 11.762 -0.677 1.00 2.31 H new ATOM 0 HB3 LYS A 94 7.490 11.333 0.260 1.00 2.31 H new ATOM 0 HG2 LYS A 94 8.880 11.232 -1.666 1.00 45.43 H new ATOM 0 HG3 LYS A 94 7.513 11.171 -2.760 1.00 45.43 H new ATOM 0 HD2 LYS A 94 8.425 13.408 -2.860 1.00 1.10 H new ATOM 0 HD3 LYS A 94 6.879 13.504 -2.040 1.00 1.10 H new ATOM 0 HE2 LYS A 94 7.875 14.488 -0.269 1.00 70.33 H new ATOM 0 HE3 LYS A 94 8.828 13.041 -0.001 1.00 70.33 H new ATOM 0 HZ1 LYS A 94 10.220 14.973 -0.255 1.00 2.24 H new ATOM 0 HZ2 LYS A 94 10.494 13.888 -1.532 1.00 2.24 H new ATOM 0 HZ3 LYS A 94 9.571 15.289 -1.792 1.00 2.24 H new ATOM 1339 N TYR A 95 7.833 7.869 0.409 1.00 71.51 N ATOM 1340 CA TYR A 95 8.692 6.687 0.401 1.00 25.11 C ATOM 1341 C TYR A 95 7.847 5.430 0.211 1.00 32.52 C ATOM 1342 O TYR A 95 8.224 4.562 -0.573 1.00 33.41 O ATOM 1343 CB TYR A 95 9.541 6.607 1.685 1.00 74.24 C ATOM 1344 CG TYR A 95 10.633 7.659 1.806 1.00 54.24 C ATOM 1345 CD1 TYR A 95 11.529 7.882 0.738 1.00 5.11 C ATOM 1346 CD2 TYR A 95 10.749 8.435 2.978 1.00 65.34 C ATOM 1347 CE1 TYR A 95 12.478 8.921 0.811 1.00 53.21 C ATOM 1348 CE2 TYR A 95 11.754 9.411 3.087 1.00 33.40 C ATOM 1349 CZ TYR A 95 12.604 9.687 1.996 1.00 73.24 C ATOM 1350 OH TYR A 95 13.480 10.722 2.093 1.00 1.34 O ATOM 0 H TYR A 95 7.341 8.020 1.290 1.00 71.51 H new ATOM 0 HA TYR A 95 9.385 6.765 -0.437 1.00 25.11 H new ATOM 0 HB2 TYR A 95 8.878 6.694 2.546 1.00 74.24 H new ATOM 0 HB3 TYR A 95 10.002 5.621 1.736 1.00 74.24 H new ATOM 0 HD1 TYR A 95 11.487 7.253 -0.139 1.00 5.11 H new ATOM 0 HD2 TYR A 95 10.062 8.278 3.796 1.00 65.34 H new ATOM 0 HE1 TYR A 95 13.111 9.134 -0.038 1.00 53.21 H new ATOM 0 HE2 TYR A 95 11.876 9.954 4.013 1.00 33.40 H new ATOM 0 HH TYR A 95 13.416 11.122 2.985 1.00 1.34 H new ATOM 1359 N ARG A 96 6.722 5.286 0.923 1.00 45.25 N ATOM 1360 CA ARG A 96 5.927 4.061 0.892 1.00 23.14 C ATOM 1361 C ARG A 96 5.269 3.783 -0.464 1.00 21.44 C ATOM 1362 O ARG A 96 5.252 2.619 -0.862 1.00 51.32 O ATOM 1363 CB ARG A 96 4.955 4.013 2.070 1.00 10.33 C ATOM 1364 CG ARG A 96 3.947 5.150 2.112 1.00 4.22 C ATOM 1365 CD ARG A 96 2.995 5.022 3.295 1.00 62.21 C ATOM 1366 NE ARG A 96 3.623 5.148 4.617 1.00 33.23 N ATOM 1367 CZ ARG A 96 2.944 5.291 5.763 1.00 10.44 C ATOM 1368 NH1 ARG A 96 1.615 5.274 5.793 1.00 33.21 N ATOM 1369 NH2 ARG A 96 3.609 5.470 6.896 1.00 70.53 N ATOM 0 H ARG A 96 6.343 6.012 1.531 1.00 45.25 H new ATOM 0 HA ARG A 96 6.620 3.229 1.015 1.00 23.14 H new ATOM 0 HB2 ARG A 96 4.414 3.067 2.038 1.00 10.33 H new ATOM 0 HB3 ARG A 96 5.529 4.021 2.997 1.00 10.33 H new ATOM 0 HG2 ARG A 96 4.475 6.101 2.172 1.00 4.22 H new ATOM 0 HG3 ARG A 96 3.374 5.162 1.185 1.00 4.22 H new ATOM 0 HD2 ARG A 96 2.222 5.785 3.203 1.00 62.21 H new ATOM 0 HD3 ARG A 96 2.497 4.054 3.237 1.00 62.21 H new ATOM 0 HE ARG A 96 4.642 5.125 4.666 1.00 33.23 H new ATOM 0 HH11 ARG A 96 1.087 5.150 4.929 1.00 33.21 H new ATOM 0 HH12 ARG A 96 1.123 5.385 6.680 1.00 33.21 H new ATOM 0 HH21 ARG A 96 4.629 5.498 6.890 1.00 70.53 H new ATOM 0 HH22 ARG A 96 3.101 5.580 7.774 1.00 70.53 H new ATOM 1380 N ALA A 97 4.798 4.792 -1.205 1.00 10.21 N ATOM 1381 CA ALA A 97 4.368 4.599 -2.590 1.00 21.14 C ATOM 1382 C ALA A 97 5.536 4.098 -3.431 1.00 45.43 C ATOM 1383 O ALA A 97 5.453 3.056 -4.072 1.00 43.14 O ATOM 1384 CB ALA A 97 3.842 5.904 -3.179 1.00 62.31 C ATOM 0 H ALA A 97 4.706 5.750 -0.867 1.00 10.21 H new ATOM 0 HA ALA A 97 3.566 3.861 -2.600 1.00 21.14 H new ATOM 0 HB1 ALA A 97 3.528 5.738 -4.209 1.00 62.31 H new ATOM 0 HB2 ALA A 97 2.992 6.252 -2.592 1.00 62.31 H new ATOM 0 HB3 ALA A 97 4.630 6.657 -3.157 1.00 62.31 H new ATOM 1390 N ARG A 98 6.658 4.814 -3.403 1.00 54.35 N ATOM 1391 CA ARG A 98 7.841 4.451 -4.166 1.00 4.03 C ATOM 1392 C ARG A 98 8.323 3.032 -3.847 1.00 30.42 C ATOM 1393 O ARG A 98 8.865 2.342 -4.706 1.00 42.34 O ATOM 1394 CB ARG A 98 8.904 5.524 -3.891 1.00 21.33 C ATOM 1395 CG ARG A 98 9.598 5.931 -5.182 1.00 73.32 C ATOM 1396 CD ARG A 98 10.497 7.132 -4.919 1.00 10.32 C ATOM 1397 NE ARG A 98 11.161 7.526 -6.165 1.00 64.54 N ATOM 1398 CZ ARG A 98 11.943 8.588 -6.355 1.00 44.32 C ATOM 1399 NH1 ARG A 98 12.222 9.394 -5.337 1.00 24.32 N ATOM 1400 NH2 ARG A 98 12.438 8.814 -7.569 1.00 32.21 N ATOM 0 H ARG A 98 6.768 5.663 -2.848 1.00 54.35 H new ATOM 0 HA ARG A 98 7.615 4.425 -5.232 1.00 4.03 H new ATOM 0 HB2 ARG A 98 8.438 6.396 -3.431 1.00 21.33 H new ATOM 0 HB3 ARG A 98 9.638 5.143 -3.181 1.00 21.33 H new ATOM 0 HG2 ARG A 98 10.188 5.100 -5.568 1.00 73.32 H new ATOM 0 HG3 ARG A 98 8.858 6.177 -5.943 1.00 73.32 H new ATOM 0 HD2 ARG A 98 9.908 7.962 -4.530 1.00 10.32 H new ATOM 0 HD3 ARG A 98 11.240 6.885 -4.161 1.00 10.32 H new ATOM 0 HE ARG A 98 11.008 6.923 -6.973 1.00 64.54 H new ATOM 0 HH11 ARG A 98 11.838 9.199 -4.412 1.00 24.32 H new ATOM 0 HH12 ARG A 98 12.820 10.208 -5.480 1.00 24.32 H new ATOM 0 HH21 ARG A 98 12.217 8.179 -8.336 1.00 32.21 H new ATOM 0 HH22 ARG A 98 13.038 9.622 -7.733 1.00 32.21 H new ATOM 1411 N LEU A 99 8.115 2.563 -2.616 1.00 52.44 N ATOM 1412 CA LEU A 99 8.400 1.192 -2.215 1.00 45.44 C ATOM 1413 C LEU A 99 7.527 0.230 -3.023 1.00 34.30 C ATOM 1414 O LEU A 99 8.040 -0.678 -3.674 1.00 3.04 O ATOM 1415 CB LEU A 99 8.154 1.043 -0.709 1.00 70.34 C ATOM 1416 CG LEU A 99 8.903 -0.136 -0.071 1.00 51.03 C ATOM 1417 CD1 LEU A 99 8.764 0.007 1.445 1.00 54.25 C ATOM 1418 CD2 LEU A 99 8.429 -1.495 -0.516 1.00 10.10 C ATOM 0 H LEU A 99 7.738 3.136 -1.861 1.00 52.44 H new ATOM 0 HA LEU A 99 9.443 0.950 -2.416 1.00 45.44 H new ATOM 0 HB2 LEU A 99 8.453 1.964 -0.209 1.00 70.34 H new ATOM 0 HB3 LEU A 99 7.085 0.919 -0.536 1.00 70.34 H new ATOM 0 HG LEU A 99 9.942 -0.089 -0.397 1.00 51.03 H new ATOM 0 HD11 LEU A 99 9.284 -0.815 1.937 1.00 54.25 H new ATOM 0 HD12 LEU A 99 9.199 0.954 1.763 1.00 54.25 H new ATOM 0 HD13 LEU A 99 7.709 -0.017 1.717 1.00 54.25 H new ATOM 0 HD21 LEU A 99 9.014 -2.266 -0.015 1.00 10.10 H new ATOM 0 HD22 LEU A 99 7.376 -1.615 -0.261 1.00 10.10 H new ATOM 0 HD23 LEU A 99 8.554 -1.589 -1.595 1.00 10.10 H new ATOM 1429 N MET A 100 6.208 0.456 -3.005 1.00 1.24 N ATOM 1430 CA MET A 100 5.238 -0.314 -3.787 1.00 1.21 C ATOM 1431 C MET A 100 5.652 -0.366 -5.265 1.00 20.42 C ATOM 1432 O MET A 100 5.683 -1.457 -5.837 1.00 41.25 O ATOM 1433 CB MET A 100 3.819 0.260 -3.660 1.00 53.02 C ATOM 1434 CG MET A 100 3.196 0.017 -2.291 1.00 52.24 C ATOM 1435 SD MET A 100 2.974 -1.739 -1.931 1.00 34.11 S ATOM 1436 CE MET A 100 2.410 -1.636 -0.243 1.00 32.34 C ATOM 0 H MET A 100 5.780 1.189 -2.439 1.00 1.24 H new ATOM 0 HA MET A 100 5.229 -1.326 -3.383 1.00 1.21 H new ATOM 0 HB2 MET A 100 3.849 1.332 -3.854 1.00 53.02 H new ATOM 0 HB3 MET A 100 3.184 -0.185 -4.426 1.00 53.02 H new ATOM 0 HG2 MET A 100 3.828 0.464 -1.524 1.00 52.24 H new ATOM 0 HG3 MET A 100 2.230 0.519 -2.241 1.00 52.24 H new ATOM 0 HE1 MET A 100 2.039 -2.610 0.077 1.00 32.34 H new ATOM 0 HE2 MET A 100 3.237 -1.334 0.399 1.00 32.34 H new ATOM 0 HE3 MET A 100 1.608 -0.901 -0.171 1.00 32.34 H new ATOM 1444 N LYS A 101 6.065 0.776 -5.849 1.00 23.31 N ATOM 1445 CA LYS A 101 6.594 0.831 -7.219 1.00 35.32 C ATOM 1446 C LYS A 101 7.617 -0.270 -7.416 1.00 14.02 C ATOM 1447 O LYS A 101 7.463 -1.074 -8.324 1.00 61.25 O ATOM 1448 CB LYS A 101 7.195 2.203 -7.570 1.00 62.52 C ATOM 1449 CG LYS A 101 7.825 2.215 -8.976 1.00 23.24 C ATOM 1450 CD LYS A 101 7.296 3.342 -9.857 1.00 72.53 C ATOM 1451 CE LYS A 101 8.178 3.487 -11.100 1.00 74.52 C ATOM 1452 NZ LYS A 101 8.097 2.328 -12.020 1.00 3.21 N ATOM 0 H LYS A 101 6.040 1.683 -5.382 1.00 23.31 H new ATOM 0 HA LYS A 101 5.757 0.679 -7.900 1.00 35.32 H new ATOM 0 HB2 LYS A 101 6.417 2.964 -7.515 1.00 62.52 H new ATOM 0 HB3 LYS A 101 7.952 2.467 -6.831 1.00 62.52 H new ATOM 0 HG2 LYS A 101 8.907 2.312 -8.883 1.00 23.24 H new ATOM 0 HG3 LYS A 101 7.631 1.259 -9.463 1.00 23.24 H new ATOM 0 HD2 LYS A 101 6.268 3.133 -10.152 1.00 72.53 H new ATOM 0 HD3 LYS A 101 7.283 4.278 -9.298 1.00 72.53 H new ATOM 0 HE2 LYS A 101 7.888 4.389 -11.638 1.00 74.52 H new ATOM 0 HE3 LYS A 101 9.214 3.621 -10.787 1.00 74.52 H new ATOM 0 HZ1 LYS A 101 8.425 2.612 -12.965 1.00 3.21 H new ATOM 0 HZ2 LYS A 101 8.697 1.558 -11.662 1.00 3.21 H new ATOM 0 HZ3 LYS A 101 7.112 2.000 -12.079 1.00 3.21 H new ATOM 1462 N LYS A 102 8.659 -0.270 -6.592 1.00 23.34 N ATOM 1463 CA LYS A 102 9.785 -1.195 -6.683 1.00 64.35 C ATOM 1464 C LYS A 102 9.342 -2.644 -6.724 1.00 1.14 C ATOM 1465 O LYS A 102 9.806 -3.386 -7.582 1.00 35.44 O ATOM 1466 CB LYS A 102 10.807 -0.932 -5.557 1.00 0.33 C ATOM 1467 CG LYS A 102 12.128 -0.304 -6.028 1.00 2.14 C ATOM 1468 CD LYS A 102 11.937 0.988 -6.830 1.00 43.04 C ATOM 1469 CE LYS A 102 11.956 0.674 -8.345 1.00 22.53 C ATOM 1470 NZ LYS A 102 13.284 0.861 -8.949 1.00 64.24 N ATOM 0 H LYS A 102 8.747 0.391 -5.821 1.00 23.34 H new ATOM 0 HA LYS A 102 10.284 -1.006 -7.634 1.00 64.35 H new ATOM 0 HB2 LYS A 102 10.351 -0.275 -4.816 1.00 0.33 H new ATOM 0 HB3 LYS A 102 11.026 -1.875 -5.055 1.00 0.33 H new ATOM 0 HG2 LYS A 102 12.752 -0.094 -5.159 1.00 2.14 H new ATOM 0 HG3 LYS A 102 12.667 -1.027 -6.641 1.00 2.14 H new ATOM 0 HD2 LYS A 102 10.992 1.458 -6.559 1.00 43.04 H new ATOM 0 HD3 LYS A 102 12.728 1.698 -6.587 1.00 43.04 H new ATOM 0 HE2 LYS A 102 11.632 -0.355 -8.502 1.00 22.53 H new ATOM 0 HE3 LYS A 102 11.237 1.316 -8.854 1.00 22.53 H new ATOM 0 HZ1 LYS A 102 13.239 0.637 -9.964 1.00 64.24 H new ATOM 0 HZ2 LYS A 102 13.586 1.849 -8.826 1.00 64.24 H new ATOM 0 HZ3 LYS A 102 13.968 0.230 -8.485 1.00 64.24 H new ATOM 1480 N ILE A 103 8.448 -3.037 -5.829 1.00 52.04 N ATOM 1481 CA ILE A 103 7.876 -4.376 -5.816 1.00 43.15 C ATOM 1482 C ILE A 103 7.220 -4.670 -7.172 1.00 63.43 C ATOM 1483 O ILE A 103 7.572 -5.655 -7.817 1.00 44.04 O ATOM 1484 CB ILE A 103 6.951 -4.454 -4.584 1.00 34.51 C ATOM 1485 CG1 ILE A 103 7.824 -4.475 -3.309 1.00 35.21 C ATOM 1486 CG2 ILE A 103 6.003 -5.658 -4.586 1.00 44.02 C ATOM 1487 CD1 ILE A 103 7.093 -3.899 -2.101 1.00 41.13 C ATOM 0 H ILE A 103 8.097 -2.432 -5.087 1.00 52.04 H new ATOM 0 HA ILE A 103 8.617 -5.168 -5.706 1.00 43.15 H new ATOM 0 HB ILE A 103 6.309 -3.574 -4.613 1.00 34.51 H new ATOM 0 HG12 ILE A 103 8.126 -5.500 -3.094 1.00 35.21 H new ATOM 0 HG13 ILE A 103 8.736 -3.905 -3.486 1.00 35.21 H new ATOM 0 HG21 ILE A 103 5.388 -5.638 -3.686 1.00 44.02 H new ATOM 0 HG22 ILE A 103 5.361 -5.614 -5.466 1.00 44.02 H new ATOM 0 HG23 ILE A 103 6.585 -6.579 -4.608 1.00 44.02 H new ATOM 0 HD11 ILE A 103 7.746 -3.935 -1.229 1.00 41.13 H new ATOM 0 HD12 ILE A 103 6.815 -2.865 -2.303 1.00 41.13 H new ATOM 0 HD13 ILE A 103 6.195 -4.485 -1.906 1.00 41.13 H new ATOM 1498 N ALA A 104 6.310 -3.817 -7.638 1.00 41.13 N ATOM 1499 CA ALA A 104 5.624 -3.997 -8.916 1.00 4.43 C ATOM 1500 C ALA A 104 6.543 -3.838 -10.145 1.00 74.53 C ATOM 1501 O ALA A 104 6.150 -4.202 -11.255 1.00 4.04 O ATOM 1502 CB ALA A 104 4.490 -2.978 -8.963 1.00 71.44 C ATOM 0 H ALA A 104 6.026 -2.976 -7.136 1.00 41.13 H new ATOM 0 HA ALA A 104 5.256 -5.021 -8.970 1.00 4.43 H new ATOM 0 HB1 ALA A 104 3.950 -3.078 -9.904 1.00 71.44 H new ATOM 0 HB2 ALA A 104 3.807 -3.155 -8.132 1.00 71.44 H new ATOM 0 HB3 ALA A 104 4.902 -1.972 -8.886 1.00 71.44 H new ATOM 1508 N ASP A 105 7.746 -3.288 -9.975 1.00 64.15 N ATOM 1509 CA ASP A 105 8.792 -3.112 -10.992 1.00 51.24 C ATOM 1510 C ASP A 105 9.515 -4.439 -11.250 1.00 51.11 C ATOM 1511 O ASP A 105 10.226 -4.592 -12.243 1.00 40.25 O ATOM 1512 CB ASP A 105 9.823 -2.081 -10.485 1.00 40.41 C ATOM 1513 CG ASP A 105 10.154 -0.958 -11.463 1.00 21.42 C ATOM 1514 OD1 ASP A 105 11.089 -1.126 -12.272 1.00 71.32 O ATOM 1515 OD2 ASP A 105 9.605 0.159 -11.304 1.00 11.23 O ATOM 0 H ASP A 105 8.038 -2.929 -9.066 1.00 64.15 H new ATOM 0 HA ASP A 105 8.328 -2.768 -11.916 1.00 51.24 H new ATOM 0 HB2 ASP A 105 9.447 -1.639 -9.563 1.00 40.41 H new ATOM 0 HB3 ASP A 105 10.745 -2.606 -10.234 1.00 40.41 H new ATOM 1519 N LEU A 106 9.355 -5.408 -10.346 1.00 51.41 N ATOM 1520 CA LEU A 106 10.089 -6.667 -10.298 1.00 52.31 C ATOM 1521 C LEU A 106 9.127 -7.848 -10.228 1.00 3.32 C ATOM 1522 O LEU A 106 9.562 -8.954 -9.896 1.00 3.03 O ATOM 1523 CB LEU A 106 11.062 -6.630 -9.100 1.00 12.02 C ATOM 1524 CG LEU A 106 12.210 -5.614 -9.231 1.00 23.54 C ATOM 1525 CD1 LEU A 106 12.760 -5.248 -7.852 1.00 53.03 C ATOM 1526 CD2 LEU A 106 13.353 -6.172 -10.087 1.00 72.31 C ATOM 0 H LEU A 106 8.674 -5.328 -9.591 1.00 51.41 H new ATOM 0 HA LEU A 106 10.672 -6.797 -11.210 1.00 52.31 H new ATOM 0 HB2 LEU A 106 10.496 -6.402 -8.197 1.00 12.02 H new ATOM 0 HB3 LEU A 106 11.489 -7.624 -8.966 1.00 12.02 H new ATOM 0 HG LEU A 106 11.804 -4.726 -9.716 1.00 23.54 H new ATOM 0 HD11 LEU A 106 13.571 -4.529 -7.963 1.00 53.03 H new ATOM 0 HD12 LEU A 106 11.966 -4.809 -7.248 1.00 53.03 H new ATOM 0 HD13 LEU A 106 13.136 -6.145 -7.360 1.00 53.03 H new ATOM 0 HD21 LEU A 106 14.148 -5.430 -10.160 1.00 72.31 H new ATOM 0 HD22 LEU A 106 13.744 -7.079 -9.626 1.00 72.31 H new ATOM 0 HD23 LEU A 106 12.980 -6.404 -11.085 1.00 72.31 H new ATOM 1537 N TRP A 107 7.839 -7.618 -10.500 1.00 75.25 N ATOM 1538 CA TRP A 107 6.812 -8.642 -10.407 1.00 42.23 C ATOM 1539 C TRP A 107 7.122 -9.785 -11.372 1.00 0.31 C ATOM 1540 O TRP A 107 6.808 -10.941 -11.014 1.00 24.32 O ATOM 1541 CB TRP A 107 5.404 -8.034 -10.580 1.00 64.41 C ATOM 1542 CG TRP A 107 4.292 -8.749 -9.860 1.00 11.42 C ATOM 1543 CD1 TRP A 107 3.285 -9.447 -10.432 1.00 54.42 C ATOM 1544 CD2 TRP A 107 3.968 -8.730 -8.432 1.00 14.23 C ATOM 1545 NE1 TRP A 107 2.490 -10.007 -9.458 1.00 14.05 N ATOM 1546 CE2 TRP A 107 2.822 -9.549 -8.203 1.00 73.53 C ATOM 1547 CE3 TRP A 107 4.475 -8.033 -7.316 1.00 71.12 C ATOM 1548 CZ2 TRP A 107 2.228 -9.692 -6.938 1.00 2.32 C ATOM 1549 CZ3 TRP A 107 3.883 -8.161 -6.043 1.00 20.43 C ATOM 1550 CH2 TRP A 107 2.760 -8.982 -5.851 1.00 42.21 C ATOM 0 H TRP A 107 7.484 -6.707 -10.792 1.00 75.25 H new ATOM 0 HA TRP A 107 6.815 -9.076 -9.407 1.00 42.23 H new ATOM 0 HB2 TRP A 107 5.430 -7.000 -10.235 1.00 64.41 H new ATOM 0 HB3 TRP A 107 5.167 -8.010 -11.644 1.00 64.41 H new ATOM 0 HD1 TRP A 107 3.128 -9.550 -11.496 1.00 54.42 H new ATOM 0 HE1 TRP A 107 1.746 -10.679 -9.643 1.00 14.05 H new ATOM 0 HE3 TRP A 107 5.333 -7.389 -7.439 1.00 71.12 H new ATOM 0 HZ2 TRP A 107 1.374 -10.339 -6.804 1.00 2.32 H new ATOM 0 HZ3 TRP A 107 4.298 -7.621 -5.205 1.00 20.43 H new ATOM 0 HH2 TRP A 107 2.309 -9.066 -4.873 1.00 42.21 H new