USER MOD reduce.3.24.130724 H: found=0, std=0, add=1031, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1033 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 516 SER OG : rot 74:sc= 0.0625 USER MOD Set 1.2: A 523 MET CE :methyl -118:sc= -0.757 (180deg=-0.28) USER MOD Set 2.1: A 497 CYS SG : rot -77:sc= -4.03! USER MOD Set 2.2: A 512 MET CE :methyl -115:sc= -0.833 (180deg=-2.3!) USER MOD Set 3.1: A 476 THR OG1 : rot -26:sc= 0.942 USER MOD Set 3.2: A 477 ASN : amide:sc= 0 X(o=0.94,f=0.77) USER MOD Set 4.1: A 430 GLN : amide:sc= 0.301 K(o=0.63,f=-0.5) USER MOD Set 4.2: A 432 TYR OH : rot -16:sc= 0.404 USER MOD Set 4.3: A 474 HIS : no HD1:sc= -0.0759 X(o=0.63,f=0.72) USER MOD Set 5.1: A 409 GLN : amide:sc= 0.0841 X(o=0.42,f=0.91) USER MOD Set 5.2: A 424 THR OG1 : rot 180:sc= 0.34 USER MOD Set 6.1: A 398 LYS NZ :NH3+ 172:sc= 0.442 (180deg=-0.0343) USER MOD Set 6.2: A 434 ASN : amide:sc= 0.57 K(o=1,f=-5.2!) USER MOD Single : A 403 SER OG : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot 160:sc= -1.77 USER MOD Single : A 438 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 THR OG1 : rot 153:sc= 0.517 USER MOD Single : A 443 GLN : amide:sc= -0.464 K(o=-0.46,f=-4.1!) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ -133:sc= 0.268 (180deg=-0.606) USER MOD Single : A 450 MET CE :methyl 141:sc= -0.163 (180deg=-1.32) USER MOD Single : A 451 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 455 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 459 THR OG1 : rot -79:sc= 1.17 USER MOD Single : A 460 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 ASN : amide:sc= 0.225 X(o=0.22,f=-0.23) USER MOD Single : A 468 SER OG : rot 180:sc= 0 USER MOD Single : A 470 MET CE :methyl -178:sc= -0.103 (180deg=-0.109) USER MOD Single : A 472 GLN : amide:sc= -0.713 K(o=-0.71,f=-2.4!) USER MOD Single : A 478 LYS NZ :NH3+ -157:sc= 1.13 (180deg=0.745) USER MOD Single : A 482 SER OG : rot 180:sc= 0.188 USER MOD Single : A 484 LYS NZ :NH3+ -179:sc= 0.645 (180deg=0.642) USER MOD Single : A 487 TYR OH : rot -175:sc= 0.146 USER MOD Single : A 490 MET CE :methyl -155:sc= 0 (180deg=-0.213) USER MOD Single : A 492 ASN : amide:sc= -0.0407 X(o=-0.041,f=-0.32) USER MOD Single : A 499 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.33) USER MOD Single : A 515 TYR OH : rot 79:sc= 0.0868 USER MOD Single : A 517 SER OG : rot -45:sc= 0.877 USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 528 TYR OH : rot 180:sc= 0.206 USER MOD Single : A 530 GLN : amide:sc= 0.0502 K(o=0.05,f=-1.3) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 539 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -16.070 8.875 6.549 1.00 31.31 N ATOM 251 CA LYS A 398 -15.098 8.924 5.453 1.00 25.41 C ATOM 252 C LYS A 398 -15.752 9.582 4.226 1.00 72.23 C ATOM 253 O LYS A 398 -16.975 9.737 4.169 1.00 13.31 O ATOM 254 CB LYS A 398 -14.588 7.492 5.108 1.00 22.52 C ATOM 255 CG LYS A 398 -13.606 6.906 6.147 1.00 60.34 C ATOM 256 CD LYS A 398 -12.332 7.779 6.280 1.00 44.14 C ATOM 257 CE LYS A 398 -11.385 7.317 7.403 1.00 33.55 C ATOM 258 NZ LYS A 398 -11.991 7.523 8.749 1.00 5.53 N ATOM 0 HA LYS A 398 -14.237 9.517 5.760 1.00 25.41 H new ATOM 0 HB2 LYS A 398 -15.445 6.825 5.017 1.00 22.52 H new ATOM 0 HB3 LYS A 398 -14.098 7.517 4.134 1.00 22.52 H new ATOM 0 HG2 LYS A 398 -14.101 6.832 7.116 1.00 60.34 H new ATOM 0 HG3 LYS A 398 -13.326 5.894 5.854 1.00 60.34 H new ATOM 0 HD2 LYS A 398 -11.793 7.767 5.333 1.00 44.14 H new ATOM 0 HD3 LYS A 398 -12.627 8.812 6.466 1.00 44.14 H new ATOM 0 HE2 LYS A 398 -11.147 6.262 7.268 1.00 33.55 H new ATOM 0 HE3 LYS A 398 -10.446 7.867 7.338 1.00 33.55 H new ATOM 0 HZ1 LYS A 398 -11.389 7.080 9.472 1.00 5.53 H new ATOM 0 HZ2 LYS A 398 -12.071 8.542 8.942 1.00 5.53 H new ATOM 0 HZ3 LYS A 398 -12.937 7.091 8.774 1.00 5.53 H new ATOM 272 N LEU A 399 -14.930 9.957 3.248 1.00 22.02 N ATOM 273 CA LEU A 399 -15.373 10.754 2.093 1.00 52.14 C ATOM 274 C LEU A 399 -14.596 10.316 0.839 1.00 70.45 C ATOM 275 O LEU A 399 -13.360 10.304 0.855 1.00 12.40 O ATOM 276 CB LEU A 399 -15.139 12.259 2.395 1.00 24.11 C ATOM 277 CG LEU A 399 -15.843 13.259 1.436 1.00 54.21 C ATOM 278 CD1 LEU A 399 -17.383 13.102 1.506 1.00 0.42 C ATOM 279 CD2 LEU A 399 -15.407 14.709 1.735 1.00 2.20 C ATOM 0 H LEU A 399 -13.938 9.720 3.229 1.00 22.02 H new ATOM 0 HA LEU A 399 -16.436 10.595 1.910 1.00 52.14 H new ATOM 0 HB2 LEU A 399 -15.475 12.463 3.412 1.00 24.11 H new ATOM 0 HB3 LEU A 399 -14.067 12.453 2.368 1.00 24.11 H new ATOM 0 HG LEU A 399 -15.535 13.027 0.416 1.00 54.21 H new ATOM 0 HD11 LEU A 399 -17.852 13.813 0.826 1.00 0.42 H new ATOM 0 HD12 LEU A 399 -17.659 12.088 1.218 1.00 0.42 H new ATOM 0 HD13 LEU A 399 -17.723 13.295 2.524 1.00 0.42 H new ATOM 0 HD21 LEU A 399 -15.913 15.390 1.051 1.00 2.20 H new ATOM 0 HD22 LEU A 399 -15.671 14.964 2.761 1.00 2.20 H new ATOM 0 HD23 LEU A 399 -14.329 14.799 1.604 1.00 2.20 H new ATOM 291 N LEU A 400 -15.318 9.949 -0.237 1.00 53.35 N ATOM 292 CA LEU A 400 -14.700 9.432 -1.471 1.00 31.52 C ATOM 293 C LEU A 400 -13.939 10.556 -2.216 1.00 31.35 C ATOM 294 O LEU A 400 -14.544 11.383 -2.908 1.00 62.13 O ATOM 295 CB LEU A 400 -15.776 8.782 -2.389 1.00 62.22 C ATOM 296 CG LEU A 400 -15.229 8.096 -3.680 1.00 52.13 C ATOM 297 CD1 LEU A 400 -14.204 7.000 -3.333 1.00 60.31 C ATOM 298 CD2 LEU A 400 -16.372 7.531 -4.558 1.00 55.54 C ATOM 0 H LEU A 400 -16.336 10.002 -0.275 1.00 53.35 H new ATOM 0 HA LEU A 400 -13.977 8.663 -1.198 1.00 31.52 H new ATOM 0 HB2 LEU A 400 -16.324 8.040 -1.808 1.00 62.22 H new ATOM 0 HB3 LEU A 400 -16.492 9.550 -2.682 1.00 62.22 H new ATOM 0 HG LEU A 400 -14.720 8.863 -4.264 1.00 52.13 H new ATOM 0 HD11 LEU A 400 -13.840 6.539 -4.251 1.00 60.31 H new ATOM 0 HD12 LEU A 400 -13.367 7.442 -2.792 1.00 60.31 H new ATOM 0 HD13 LEU A 400 -14.679 6.242 -2.710 1.00 60.31 H new ATOM 0 HD21 LEU A 400 -15.950 7.062 -5.447 1.00 55.54 H new ATOM 0 HD22 LEU A 400 -16.936 6.791 -3.990 1.00 55.54 H new ATOM 0 HD23 LEU A 400 -17.036 8.342 -4.857 1.00 55.54 H new ATOM 310 N ALA A 401 -12.610 10.593 -2.021 1.00 50.21 N ATOM 311 CA ALA A 401 -11.719 11.566 -2.683 1.00 21.02 C ATOM 312 C ALA A 401 -11.325 11.079 -4.092 1.00 40.14 C ATOM 313 O ALA A 401 -11.374 11.834 -5.070 1.00 35.03 O ATOM 314 CB ALA A 401 -10.468 11.793 -1.812 1.00 60.45 C ATOM 0 H ALA A 401 -12.121 9.949 -1.399 1.00 50.21 H new ATOM 0 HA ALA A 401 -12.249 12.512 -2.797 1.00 21.02 H new ATOM 0 HB1 ALA A 401 -9.810 12.511 -2.301 1.00 60.45 H new ATOM 0 HB2 ALA A 401 -10.768 12.180 -0.838 1.00 60.45 H new ATOM 0 HB3 ALA A 401 -9.940 10.849 -1.680 1.00 60.45 H new ATOM 320 N TRP A 402 -10.989 9.784 -4.190 1.00 45.22 N ATOM 321 CA TRP A 402 -10.396 9.193 -5.411 1.00 23.54 C ATOM 322 C TRP A 402 -10.956 7.779 -5.662 1.00 3.41 C ATOM 323 O TRP A 402 -11.289 7.059 -4.722 1.00 45.31 O ATOM 324 CB TRP A 402 -8.850 9.145 -5.244 1.00 65.03 C ATOM 325 CG TRP A 402 -8.066 8.765 -6.490 1.00 23.35 C ATOM 326 CD1 TRP A 402 -7.659 9.602 -7.490 1.00 33.02 C ATOM 327 CD2 TRP A 402 -7.584 7.453 -6.850 1.00 74.02 C ATOM 328 NE1 TRP A 402 -6.959 8.902 -8.436 1.00 31.42 N ATOM 329 CE2 TRP A 402 -6.903 7.584 -8.071 1.00 42.01 C ATOM 330 CE3 TRP A 402 -7.665 6.187 -6.262 1.00 62.24 C ATOM 331 CZ2 TRP A 402 -6.308 6.502 -8.716 1.00 44.12 C ATOM 332 CZ3 TRP A 402 -7.074 5.111 -6.900 1.00 61.23 C ATOM 333 CH2 TRP A 402 -6.404 5.276 -8.119 1.00 54.24 C ATOM 0 H TRP A 402 -11.118 9.115 -3.431 1.00 45.22 H new ATOM 0 HA TRP A 402 -10.654 9.808 -6.273 1.00 23.54 H new ATOM 0 HB2 TRP A 402 -8.509 10.123 -4.906 1.00 65.03 H new ATOM 0 HB3 TRP A 402 -8.610 8.433 -4.454 1.00 65.03 H new ATOM 0 HD1 TRP A 402 -7.860 10.662 -7.529 1.00 33.02 H new ATOM 0 HE1 TRP A 402 -6.545 9.300 -9.279 1.00 31.42 H new ATOM 0 HE3 TRP A 402 -8.181 6.051 -5.323 1.00 62.24 H new ATOM 0 HZ2 TRP A 402 -5.789 6.627 -9.655 1.00 44.12 H new ATOM 0 HZ3 TRP A 402 -7.130 4.130 -6.452 1.00 61.23 H new ATOM 0 HH2 TRP A 402 -5.955 4.418 -8.597 1.00 54.24 H new ATOM 344 N SER A 403 -11.046 7.398 -6.941 1.00 13.33 N ATOM 345 CA SER A 403 -11.396 6.024 -7.362 1.00 34.55 C ATOM 346 C SER A 403 -10.580 5.652 -8.616 1.00 42.41 C ATOM 347 O SER A 403 -10.293 6.510 -9.455 1.00 71.41 O ATOM 348 CB SER A 403 -12.912 5.885 -7.633 1.00 30.42 C ATOM 349 OG SER A 403 -13.344 6.751 -8.671 1.00 62.03 O ATOM 0 H SER A 403 -10.878 8.032 -7.722 1.00 13.33 H new ATOM 0 HA SER A 403 -11.149 5.337 -6.553 1.00 34.55 H new ATOM 0 HB2 SER A 403 -13.140 4.854 -7.902 1.00 30.42 H new ATOM 0 HB3 SER A 403 -13.466 6.107 -6.721 1.00 30.42 H new ATOM 0 HG SER A 403 -14.306 6.634 -8.815 1.00 62.03 H new ATOM 355 N GLY A 404 -10.201 4.375 -8.717 1.00 64.52 N ATOM 356 CA GLY A 404 -9.325 3.890 -9.788 1.00 12.31 C ATOM 357 C GLY A 404 -9.007 2.415 -9.609 1.00 31.10 C ATOM 358 O GLY A 404 -9.846 1.669 -9.106 1.00 51.03 O ATOM 0 H GLY A 404 -10.491 3.650 -8.061 1.00 64.52 H new ATOM 0 HA2 GLY A 404 -9.805 4.047 -10.754 1.00 12.31 H new ATOM 0 HA3 GLY A 404 -8.400 4.466 -9.794 1.00 12.31 H new ATOM 362 N VAL A 405 -7.805 1.978 -10.016 1.00 62.44 N ATOM 363 CA VAL A 405 -7.393 0.555 -9.909 1.00 42.41 C ATOM 364 C VAL A 405 -6.082 0.416 -9.097 1.00 33.44 C ATOM 365 O VAL A 405 -5.285 1.355 -9.025 1.00 1.33 O ATOM 366 CB VAL A 405 -7.238 -0.084 -11.344 1.00 31.03 C ATOM 367 CG1 VAL A 405 -5.978 0.393 -12.079 1.00 40.53 C ATOM 368 CG2 VAL A 405 -7.329 -1.636 -11.306 1.00 55.13 C ATOM 0 H VAL A 405 -7.094 2.585 -10.424 1.00 62.44 H new ATOM 0 HA VAL A 405 -8.174 0.013 -9.375 1.00 42.41 H new ATOM 0 HB VAL A 405 -8.087 0.277 -11.925 1.00 31.03 H new ATOM 0 HG11 VAL A 405 -5.927 -0.081 -13.059 1.00 40.53 H new ATOM 0 HG12 VAL A 405 -6.016 1.476 -12.201 1.00 40.53 H new ATOM 0 HG13 VAL A 405 -5.095 0.124 -11.500 1.00 40.53 H new ATOM 0 HG21 VAL A 405 -7.217 -2.032 -12.315 1.00 55.13 H new ATOM 0 HG22 VAL A 405 -6.536 -2.032 -10.671 1.00 55.13 H new ATOM 0 HG23 VAL A 405 -8.298 -1.934 -10.905 1.00 55.13 H new ATOM 378 N LEU A 406 -5.880 -0.757 -8.475 1.00 51.25 N ATOM 379 CA LEU A 406 -4.638 -1.096 -7.759 1.00 4.33 C ATOM 380 C LEU A 406 -4.088 -2.427 -8.300 1.00 74.12 C ATOM 381 O LEU A 406 -4.721 -3.470 -8.132 1.00 3.13 O ATOM 382 CB LEU A 406 -4.892 -1.215 -6.239 1.00 50.24 C ATOM 383 CG LEU A 406 -3.620 -1.477 -5.380 1.00 52.53 C ATOM 384 CD1 LEU A 406 -2.678 -0.251 -5.367 1.00 34.31 C ATOM 385 CD2 LEU A 406 -3.995 -1.914 -3.958 1.00 73.54 C ATOM 0 H LEU A 406 -6.577 -1.501 -8.454 1.00 51.25 H new ATOM 0 HA LEU A 406 -3.911 -0.300 -7.922 1.00 4.33 H new ATOM 0 HB2 LEU A 406 -5.364 -0.296 -5.891 1.00 50.24 H new ATOM 0 HB3 LEU A 406 -5.602 -2.024 -6.066 1.00 50.24 H new ATOM 0 HG LEU A 406 -3.072 -2.297 -5.845 1.00 52.53 H new ATOM 0 HD11 LEU A 406 -1.802 -0.472 -4.757 1.00 34.31 H new ATOM 0 HD12 LEU A 406 -2.364 -0.023 -6.385 1.00 34.31 H new ATOM 0 HD13 LEU A 406 -3.204 0.607 -4.949 1.00 34.31 H new ATOM 0 HD21 LEU A 406 -3.088 -2.090 -3.380 1.00 73.54 H new ATOM 0 HD22 LEU A 406 -4.583 -1.131 -3.480 1.00 73.54 H new ATOM 0 HD23 LEU A 406 -4.581 -2.832 -4.002 1.00 73.54 H new ATOM 397 N GLU A 407 -2.910 -2.381 -8.933 1.00 34.52 N ATOM 398 CA GLU A 407 -2.256 -3.560 -9.536 1.00 73.42 C ATOM 399 C GLU A 407 -0.972 -3.926 -8.767 1.00 73.15 C ATOM 400 O GLU A 407 -0.266 -3.047 -8.279 1.00 44.35 O ATOM 401 CB GLU A 407 -1.913 -3.263 -11.023 1.00 10.04 C ATOM 402 CG GLU A 407 -1.311 -4.455 -11.803 1.00 32.05 C ATOM 403 CD GLU A 407 -0.850 -4.073 -13.220 1.00 64.03 C ATOM 404 OE1 GLU A 407 -1.658 -4.154 -14.170 1.00 63.13 O ATOM 405 OE2 GLU A 407 0.315 -3.642 -13.387 1.00 54.14 O ATOM 0 H GLU A 407 -2.375 -1.520 -9.045 1.00 34.52 H new ATOM 0 HA GLU A 407 -2.943 -4.405 -9.481 1.00 73.42 H new ATOM 0 HB2 GLU A 407 -2.820 -2.936 -11.531 1.00 10.04 H new ATOM 0 HB3 GLU A 407 -1.209 -2.431 -11.059 1.00 10.04 H new ATOM 0 HG2 GLU A 407 -0.464 -4.856 -11.247 1.00 32.05 H new ATOM 0 HG3 GLU A 407 -2.053 -5.250 -11.870 1.00 32.05 H new ATOM 412 N TRP A 408 -0.688 -5.234 -8.675 1.00 43.43 N ATOM 413 CA TRP A 408 0.562 -5.773 -8.113 1.00 71.11 C ATOM 414 C TRP A 408 1.004 -7.019 -8.906 1.00 11.10 C ATOM 415 O TRP A 408 0.196 -7.661 -9.596 1.00 71.52 O ATOM 416 CB TRP A 408 0.391 -6.116 -6.610 1.00 34.31 C ATOM 417 CG TRP A 408 -0.605 -7.219 -6.325 1.00 32.44 C ATOM 418 CD1 TRP A 408 -0.334 -8.550 -6.181 1.00 12.41 C ATOM 419 CD2 TRP A 408 -2.022 -7.077 -6.159 1.00 31.42 C ATOM 420 NE1 TRP A 408 -1.489 -9.243 -5.936 1.00 54.42 N ATOM 421 CE2 TRP A 408 -2.540 -8.360 -5.911 1.00 72.51 C ATOM 422 CE3 TRP A 408 -2.902 -5.985 -6.190 1.00 54.14 C ATOM 423 CZ2 TRP A 408 -3.895 -8.585 -5.697 1.00 45.33 C ATOM 424 CZ3 TRP A 408 -4.247 -6.208 -5.982 1.00 42.31 C ATOM 425 CH2 TRP A 408 -4.729 -7.501 -5.736 1.00 4.30 C ATOM 0 H TRP A 408 -1.330 -5.959 -8.994 1.00 43.43 H new ATOM 0 HA TRP A 408 1.336 -5.010 -8.197 1.00 71.11 H new ATOM 0 HB2 TRP A 408 1.360 -6.406 -6.204 1.00 34.31 H new ATOM 0 HB3 TRP A 408 0.079 -5.217 -6.079 1.00 34.31 H new ATOM 0 HD1 TRP A 408 0.649 -8.992 -6.250 1.00 12.41 H new ATOM 0 HE1 TRP A 408 -1.558 -10.251 -5.795 1.00 54.42 H new ATOM 0 HE3 TRP A 408 -2.533 -4.987 -6.374 1.00 54.14 H new ATOM 0 HZ2 TRP A 408 -4.275 -9.578 -5.507 1.00 45.33 H new ATOM 0 HZ3 TRP A 408 -4.937 -5.377 -6.009 1.00 42.31 H new ATOM 0 HH2 TRP A 408 -5.787 -7.645 -5.573 1.00 4.30 H new ATOM 436 N GLN A 409 2.289 -7.366 -8.780 1.00 31.53 N ATOM 437 CA GLN A 409 2.874 -8.554 -9.433 1.00 22.13 C ATOM 438 C GLN A 409 3.025 -9.683 -8.384 1.00 51.14 C ATOM 439 O GLN A 409 3.498 -9.444 -7.269 1.00 73.12 O ATOM 440 CB GLN A 409 4.250 -8.181 -10.098 1.00 61.12 C ATOM 441 CG GLN A 409 4.528 -8.848 -11.472 1.00 45.41 C ATOM 442 CD GLN A 409 4.630 -10.379 -11.432 1.00 11.53 C ATOM 443 OE1 GLN A 409 5.697 -10.934 -11.238 1.00 2.51 O ATOM 444 NE2 GLN A 409 3.521 -11.076 -11.634 1.00 41.40 N ATOM 0 H GLN A 409 2.958 -6.834 -8.223 1.00 31.53 H new ATOM 0 HA GLN A 409 2.218 -8.910 -10.227 1.00 22.13 H new ATOM 0 HB2 GLN A 409 4.292 -7.099 -10.223 1.00 61.12 H new ATOM 0 HB3 GLN A 409 5.052 -8.454 -9.412 1.00 61.12 H new ATOM 0 HG2 GLN A 409 3.734 -8.568 -12.164 1.00 45.41 H new ATOM 0 HG3 GLN A 409 5.458 -8.446 -11.875 1.00 45.41 H new ATOM 0 HE21 GLN A 409 2.637 -10.593 -11.795 1.00 41.40 H new ATOM 0 HE22 GLN A 409 3.551 -12.096 -11.629 1.00 41.40 H new ATOM 453 N GLU A 410 2.596 -10.898 -8.745 1.00 52.24 N ATOM 454 CA GLU A 410 2.667 -12.096 -7.868 1.00 12.12 C ATOM 455 C GLU A 410 3.623 -13.158 -8.452 1.00 51.53 C ATOM 456 O GLU A 410 4.075 -13.053 -9.596 1.00 50.13 O ATOM 457 CB GLU A 410 1.226 -12.686 -7.650 1.00 50.23 C ATOM 458 CG GLU A 410 0.620 -12.450 -6.245 1.00 74.52 C ATOM 459 CD GLU A 410 1.066 -13.500 -5.208 1.00 2.21 C ATOM 460 OE1 GLU A 410 2.290 -13.624 -4.945 1.00 34.44 O ATOM 461 OE2 GLU A 410 0.199 -14.206 -4.644 1.00 21.41 O ATOM 0 H GLU A 410 2.185 -11.090 -9.659 1.00 52.24 H new ATOM 0 HA GLU A 410 3.069 -11.796 -6.900 1.00 12.12 H new ATOM 0 HB2 GLU A 410 0.557 -12.252 -8.394 1.00 50.23 H new ATOM 0 HB3 GLU A 410 1.258 -13.759 -7.838 1.00 50.23 H new ATOM 0 HG2 GLU A 410 0.906 -11.458 -5.895 1.00 74.52 H new ATOM 0 HG3 GLU A 410 -0.467 -12.461 -6.319 1.00 74.52 H new ATOM 649 N LEU A 423 -0.585 -14.168 -12.747 1.00 5.41 N ATOM 650 CA LEU A 423 -0.126 -13.835 -11.378 1.00 35.54 C ATOM 651 C LEU A 423 -0.332 -12.335 -11.084 1.00 11.42 C ATOM 652 O LEU A 423 -0.731 -11.960 -9.984 1.00 41.53 O ATOM 653 CB LEU A 423 1.362 -14.251 -11.172 1.00 70.42 C ATOM 654 CG LEU A 423 1.643 -15.771 -10.908 1.00 13.33 C ATOM 655 CD1 LEU A 423 0.890 -16.273 -9.656 1.00 62.41 C ATOM 656 CD2 LEU A 423 1.324 -16.641 -12.142 1.00 64.32 C ATOM 0 HA LEU A 423 -0.729 -14.402 -10.669 1.00 35.54 H new ATOM 0 HB2 LEU A 423 1.924 -13.951 -12.056 1.00 70.42 H new ATOM 0 HB3 LEU A 423 1.761 -13.681 -10.332 1.00 70.42 H new ATOM 0 HG LEU A 423 2.711 -15.870 -10.715 1.00 13.33 H new ATOM 0 HD11 LEU A 423 1.106 -17.330 -9.501 1.00 62.41 H new ATOM 0 HD12 LEU A 423 1.214 -15.705 -8.784 1.00 62.41 H new ATOM 0 HD13 LEU A 423 -0.182 -16.139 -9.798 1.00 62.41 H new ATOM 0 HD21 LEU A 423 1.533 -17.686 -11.914 1.00 64.32 H new ATOM 0 HD22 LEU A 423 0.272 -16.530 -12.403 1.00 64.32 H new ATOM 0 HD23 LEU A 423 1.942 -16.322 -12.982 1.00 64.32 H new ATOM 668 N THR A 424 -0.055 -11.491 -12.080 1.00 12.45 N ATOM 669 CA THR A 424 -0.268 -10.022 -11.971 1.00 24.03 C ATOM 670 C THR A 424 -1.776 -9.703 -11.832 1.00 73.41 C ATOM 671 O THR A 424 -2.528 -9.796 -12.806 1.00 52.52 O ATOM 672 CB THR A 424 0.330 -9.250 -13.200 1.00 35.12 C ATOM 673 OG1 THR A 424 1.717 -9.590 -13.351 1.00 1.11 O ATOM 674 CG2 THR A 424 0.202 -7.716 -13.056 1.00 22.12 C ATOM 0 H THR A 424 0.320 -11.789 -12.981 1.00 12.45 H new ATOM 0 HA THR A 424 0.257 -9.685 -11.077 1.00 24.03 H new ATOM 0 HB THR A 424 -0.242 -9.550 -14.078 1.00 35.12 H new ATOM 0 HG1 THR A 424 2.090 -9.109 -14.119 1.00 1.11 H new ATOM 0 HG21 THR A 424 0.631 -7.231 -13.933 1.00 22.12 H new ATOM 0 HG22 THR A 424 -0.850 -7.445 -12.970 1.00 22.12 H new ATOM 0 HG23 THR A 424 0.735 -7.389 -12.163 1.00 22.12 H new ATOM 682 N ARG A 425 -2.207 -9.381 -10.596 1.00 53.44 N ATOM 683 CA ARG A 425 -3.636 -9.144 -10.266 1.00 55.12 C ATOM 684 C ARG A 425 -3.914 -7.654 -9.984 1.00 44.31 C ATOM 685 O ARG A 425 -3.009 -6.897 -9.622 1.00 1.32 O ATOM 686 CB ARG A 425 -4.057 -10.007 -9.042 1.00 51.23 C ATOM 687 CG ARG A 425 -3.883 -11.529 -9.231 1.00 41.25 C ATOM 688 CD ARG A 425 -4.684 -12.082 -10.422 1.00 1.21 C ATOM 689 NE ARG A 425 -4.455 -13.522 -10.611 1.00 73.41 N ATOM 690 CZ ARG A 425 -5.312 -14.482 -10.347 1.00 30.02 C ATOM 691 NH1 ARG A 425 -6.499 -14.225 -9.885 1.00 65.44 N ATOM 692 NH2 ARG A 425 -4.969 -15.705 -10.564 1.00 40.22 N ATOM 0 H ARG A 425 -1.581 -9.277 -9.798 1.00 53.44 H new ATOM 0 HA ARG A 425 -4.229 -9.436 -11.133 1.00 55.12 H new ATOM 0 HB2 ARG A 425 -3.473 -9.694 -8.177 1.00 51.23 H new ATOM 0 HB3 ARG A 425 -5.102 -9.801 -8.813 1.00 51.23 H new ATOM 0 HG2 ARG A 425 -2.826 -11.753 -9.376 1.00 41.25 H new ATOM 0 HG3 ARG A 425 -4.196 -12.041 -8.321 1.00 41.25 H new ATOM 0 HD2 ARG A 425 -5.747 -11.901 -10.261 1.00 1.21 H new ATOM 0 HD3 ARG A 425 -4.403 -11.547 -11.329 1.00 1.21 H new ATOM 0 HE ARG A 425 -3.547 -13.801 -10.981 1.00 73.41 H new ATOM 0 HH11 ARG A 425 -6.784 -13.260 -9.719 1.00 65.44 H new ATOM 0 HH12 ARG A 425 -7.146 -14.989 -9.688 1.00 65.44 H new ATOM 0 HH21 ARG A 425 -4.043 -15.917 -10.936 1.00 40.22 H new ATOM 0 HH22 ARG A 425 -5.623 -16.461 -10.364 1.00 40.22 H new ATOM 706 N SER A 426 -5.190 -7.262 -10.137 1.00 25.45 N ATOM 707 CA SER A 426 -5.646 -5.869 -9.944 1.00 2.33 C ATOM 708 C SER A 426 -7.135 -5.817 -9.553 1.00 70.23 C ATOM 709 O SER A 426 -7.942 -6.630 -10.028 1.00 33.02 O ATOM 710 CB SER A 426 -5.414 -5.036 -11.230 1.00 23.12 C ATOM 711 OG SER A 426 -6.176 -5.529 -12.324 1.00 4.31 O ATOM 0 H SER A 426 -5.939 -7.902 -10.399 1.00 25.45 H new ATOM 0 HA SER A 426 -5.060 -5.442 -9.130 1.00 2.33 H new ATOM 0 HB2 SER A 426 -5.680 -3.996 -11.042 1.00 23.12 H new ATOM 0 HB3 SER A 426 -4.355 -5.053 -11.488 1.00 23.12 H new ATOM 0 HG SER A 426 -6.005 -4.978 -13.116 1.00 4.31 H new ATOM 717 N LEU A 427 -7.496 -4.859 -8.678 1.00 21.22 N ATOM 718 CA LEU A 427 -8.906 -4.611 -8.267 1.00 62.10 C ATOM 719 C LEU A 427 -9.236 -3.096 -8.268 1.00 71.34 C ATOM 720 O LEU A 427 -8.352 -2.275 -8.002 1.00 44.42 O ATOM 721 CB LEU A 427 -9.200 -5.207 -6.856 1.00 44.40 C ATOM 722 CG LEU A 427 -9.407 -6.765 -6.786 1.00 32.14 C ATOM 723 CD1 LEU A 427 -8.216 -7.487 -6.124 1.00 34.54 C ATOM 724 CD2 LEU A 427 -10.736 -7.117 -6.084 1.00 63.12 C ATOM 0 H LEU A 427 -6.826 -4.232 -8.233 1.00 21.22 H new ATOM 0 HA LEU A 427 -9.541 -5.110 -8.999 1.00 62.10 H new ATOM 0 HB2 LEU A 427 -8.376 -4.941 -6.194 1.00 44.40 H new ATOM 0 HB3 LEU A 427 -10.094 -4.725 -6.461 1.00 44.40 H new ATOM 0 HG LEU A 427 -9.460 -7.125 -7.814 1.00 32.14 H new ATOM 0 HD11 LEU A 427 -8.408 -8.560 -6.100 1.00 34.54 H new ATOM 0 HD12 LEU A 427 -7.309 -7.294 -6.697 1.00 34.54 H new ATOM 0 HD13 LEU A 427 -8.087 -7.119 -5.106 1.00 34.54 H new ATOM 0 HD21 LEU A 427 -10.854 -8.200 -6.049 1.00 63.12 H new ATOM 0 HD22 LEU A 427 -10.727 -6.720 -5.069 1.00 63.12 H new ATOM 0 HD23 LEU A 427 -11.567 -6.679 -6.637 1.00 63.12 H new ATOM 736 N PRO A 428 -10.526 -2.702 -8.558 1.00 50.24 N ATOM 737 CA PRO A 428 -10.959 -1.283 -8.487 1.00 21.40 C ATOM 738 C PRO A 428 -10.955 -0.750 -7.023 1.00 63.34 C ATOM 739 O PRO A 428 -11.823 -1.099 -6.217 1.00 61.23 O ATOM 740 CB PRO A 428 -12.385 -1.305 -9.108 1.00 5.52 C ATOM 741 CG PRO A 428 -12.876 -2.707 -8.875 1.00 12.22 C ATOM 742 CD PRO A 428 -11.650 -3.594 -8.986 1.00 31.25 C ATOM 0 HA PRO A 428 -10.288 -0.607 -9.018 1.00 21.40 H new ATOM 0 HB2 PRO A 428 -13.036 -0.572 -8.632 1.00 5.52 H new ATOM 0 HB3 PRO A 428 -12.359 -1.065 -10.171 1.00 5.52 H new ATOM 0 HG2 PRO A 428 -13.340 -2.801 -7.893 1.00 12.22 H new ATOM 0 HG3 PRO A 428 -13.629 -2.986 -9.612 1.00 12.22 H new ATOM 0 HD2 PRO A 428 -11.731 -4.471 -8.344 1.00 31.25 H new ATOM 0 HD3 PRO A 428 -11.508 -3.956 -10.004 1.00 31.25 H new ATOM 750 N CYS A 429 -9.961 0.101 -6.699 1.00 2.52 N ATOM 751 CA CYS A 429 -9.743 0.607 -5.324 1.00 24.11 C ATOM 752 C CYS A 429 -10.212 2.069 -5.198 1.00 44.12 C ATOM 753 O CYS A 429 -10.017 2.887 -6.105 1.00 43.23 O ATOM 754 CB CYS A 429 -8.246 0.514 -4.956 1.00 30.10 C ATOM 755 SG CYS A 429 -7.158 1.548 -5.966 1.00 34.23 S ATOM 0 H CYS A 429 -9.288 0.457 -7.378 1.00 2.52 H new ATOM 0 HA CYS A 429 -10.326 -0.009 -4.639 1.00 24.11 H new ATOM 0 HB2 CYS A 429 -8.124 0.795 -3.910 1.00 30.10 H new ATOM 0 HB3 CYS A 429 -7.927 -0.524 -5.047 1.00 30.10 H new ATOM 0 HG CYS A 429 -6.034 1.736 -5.340 1.00 34.23 H new ATOM 761 N GLN A 430 -10.827 2.384 -4.049 1.00 3.52 N ATOM 762 CA GLN A 430 -11.384 3.720 -3.752 1.00 34.34 C ATOM 763 C GLN A 430 -10.689 4.336 -2.512 1.00 72.33 C ATOM 764 O GLN A 430 -10.722 3.745 -1.432 1.00 23.42 O ATOM 765 CB GLN A 430 -12.909 3.579 -3.496 1.00 51.14 C ATOM 766 CG GLN A 430 -13.740 3.098 -4.709 1.00 14.51 C ATOM 767 CD GLN A 430 -15.228 2.882 -4.385 1.00 21.32 C ATOM 768 OE1 GLN A 430 -15.591 2.502 -3.275 1.00 41.00 O ATOM 769 NE2 GLN A 430 -16.102 3.125 -5.350 1.00 55.11 N ATOM 0 H GLN A 430 -10.955 1.715 -3.290 1.00 3.52 H new ATOM 0 HA GLN A 430 -11.210 4.383 -4.600 1.00 34.34 H new ATOM 0 HB2 GLN A 430 -13.060 2.880 -2.673 1.00 51.14 H new ATOM 0 HB3 GLN A 430 -13.297 4.544 -3.170 1.00 51.14 H new ATOM 0 HG2 GLN A 430 -13.653 3.830 -5.512 1.00 14.51 H new ATOM 0 HG3 GLN A 430 -13.318 2.165 -5.082 1.00 14.51 H new ATOM 0 HE21 GLN A 430 -15.778 3.440 -6.264 1.00 55.11 H new ATOM 0 HE22 GLN A 430 -17.099 2.997 -5.179 1.00 55.11 H new ATOM 778 N VAL A 431 -10.087 5.531 -2.672 1.00 51.45 N ATOM 779 CA VAL A 431 -9.433 6.263 -1.565 1.00 32.13 C ATOM 780 C VAL A 431 -10.456 7.157 -0.816 1.00 50.43 C ATOM 781 O VAL A 431 -10.958 8.156 -1.356 1.00 70.25 O ATOM 782 CB VAL A 431 -8.212 7.120 -2.081 1.00 35.31 C ATOM 783 CG1 VAL A 431 -7.598 8.008 -0.962 1.00 53.13 C ATOM 784 CG2 VAL A 431 -7.132 6.200 -2.706 1.00 13.41 C ATOM 0 H VAL A 431 -10.039 6.016 -3.568 1.00 51.45 H new ATOM 0 HA VAL A 431 -9.045 5.524 -0.864 1.00 32.13 H new ATOM 0 HB VAL A 431 -8.591 7.794 -2.849 1.00 35.31 H new ATOM 0 HG11 VAL A 431 -6.762 8.578 -1.367 1.00 53.13 H new ATOM 0 HG12 VAL A 431 -8.356 8.695 -0.585 1.00 53.13 H new ATOM 0 HG13 VAL A 431 -7.245 7.375 -0.148 1.00 53.13 H new ATOM 0 HG21 VAL A 431 -6.297 6.806 -3.057 1.00 13.41 H new ATOM 0 HG22 VAL A 431 -6.778 5.493 -1.956 1.00 13.41 H new ATOM 0 HG23 VAL A 431 -7.561 5.653 -3.545 1.00 13.41 H new ATOM 794 N TYR A 432 -10.782 6.749 0.422 1.00 3.02 N ATOM 795 CA TYR A 432 -11.642 7.503 1.347 1.00 22.01 C ATOM 796 C TYR A 432 -10.786 8.300 2.358 1.00 23.42 C ATOM 797 O TYR A 432 -10.066 7.716 3.180 1.00 15.45 O ATOM 798 CB TYR A 432 -12.598 6.535 2.094 1.00 64.15 C ATOM 799 CG TYR A 432 -13.710 5.945 1.214 1.00 33.12 C ATOM 800 CD1 TYR A 432 -13.491 4.819 0.417 1.00 53.42 C ATOM 801 CD2 TYR A 432 -14.979 6.531 1.168 1.00 52.22 C ATOM 802 CE1 TYR A 432 -14.495 4.305 -0.383 1.00 44.21 C ATOM 803 CE2 TYR A 432 -15.977 6.017 0.367 1.00 62.32 C ATOM 804 CZ TYR A 432 -15.733 4.907 -0.404 1.00 33.41 C ATOM 805 OH TYR A 432 -16.731 4.408 -1.215 1.00 63.11 O ATOM 0 H TYR A 432 -10.448 5.869 0.814 1.00 3.02 H new ATOM 0 HA TYR A 432 -12.237 8.210 0.770 1.00 22.01 H new ATOM 0 HB2 TYR A 432 -12.013 5.718 2.517 1.00 64.15 H new ATOM 0 HB3 TYR A 432 -13.054 7.066 2.930 1.00 64.15 H new ATOM 0 HD1 TYR A 432 -12.522 4.342 0.426 1.00 53.42 H new ATOM 0 HD2 TYR A 432 -15.181 7.403 1.772 1.00 52.22 H new ATOM 0 HE1 TYR A 432 -14.308 3.432 -0.991 1.00 44.21 H new ATOM 0 HE2 TYR A 432 -16.949 6.487 0.346 1.00 62.32 H new ATOM 0 HH TYR A 432 -16.340 3.808 -1.884 1.00 63.11 H new ATOM 815 N VAL A 433 -10.871 9.637 2.275 1.00 50.43 N ATOM 816 CA VAL A 433 -10.238 10.561 3.239 1.00 22.45 C ATOM 817 C VAL A 433 -11.227 10.916 4.371 1.00 63.52 C ATOM 818 O VAL A 433 -12.440 10.750 4.219 1.00 70.44 O ATOM 819 CB VAL A 433 -9.736 11.871 2.522 1.00 55.12 C ATOM 820 CG1 VAL A 433 -8.675 11.544 1.443 1.00 30.41 C ATOM 821 CG2 VAL A 433 -10.916 12.691 1.922 1.00 15.32 C ATOM 0 H VAL A 433 -11.384 10.114 1.533 1.00 50.43 H new ATOM 0 HA VAL A 433 -9.373 10.058 3.671 1.00 22.45 H new ATOM 0 HB VAL A 433 -9.263 12.495 3.280 1.00 55.12 H new ATOM 0 HG11 VAL A 433 -8.346 12.467 0.964 1.00 30.41 H new ATOM 0 HG12 VAL A 433 -7.821 11.053 1.910 1.00 30.41 H new ATOM 0 HG13 VAL A 433 -9.110 10.882 0.694 1.00 30.41 H new ATOM 0 HG21 VAL A 433 -10.527 13.586 1.437 1.00 15.32 H new ATOM 0 HG22 VAL A 433 -11.447 12.083 1.190 1.00 15.32 H new ATOM 0 HG23 VAL A 433 -11.601 12.979 2.719 1.00 15.32 H new ATOM 831 N ASN A 434 -10.715 11.417 5.505 1.00 53.42 N ATOM 832 CA ASN A 434 -11.565 11.758 6.669 1.00 43.10 C ATOM 833 C ASN A 434 -12.108 13.216 6.547 1.00 1.10 C ATOM 834 O ASN A 434 -11.749 14.096 7.338 1.00 13.01 O ATOM 835 CB ASN A 434 -10.772 11.532 7.988 1.00 71.45 C ATOM 836 CG ASN A 434 -11.677 11.476 9.225 1.00 61.25 C ATOM 837 OD1 ASN A 434 -12.148 10.411 9.612 1.00 11.42 O ATOM 838 ND2 ASN A 434 -11.932 12.611 9.852 1.00 74.13 N ATOM 0 H ASN A 434 -9.721 11.597 5.646 1.00 53.42 H new ATOM 0 HA ASN A 434 -12.433 11.099 6.688 1.00 43.10 H new ATOM 0 HB2 ASN A 434 -10.209 10.601 7.913 1.00 71.45 H new ATOM 0 HB3 ASN A 434 -10.045 12.335 8.111 1.00 71.45 H new ATOM 0 HD21 ASN A 434 -12.532 12.614 10.677 1.00 74.13 H new ATOM 0 HD22 ASN A 434 -11.529 13.484 9.511 1.00 74.13 H new ATOM 884 N ASN A 438 -8.963 16.955 2.750 1.00 2.42 N ATOM 885 CA ASN A 438 -8.965 17.328 1.321 1.00 1.32 C ATOM 886 C ASN A 438 -7.525 17.634 0.838 1.00 4.33 C ATOM 887 O ASN A 438 -7.090 18.787 0.797 1.00 70.14 O ATOM 888 CB ASN A 438 -9.915 18.536 1.083 1.00 54.54 C ATOM 889 CG ASN A 438 -11.380 18.214 1.398 1.00 45.31 C ATOM 890 OD1 ASN A 438 -11.842 17.099 1.186 1.00 23.44 O ATOM 891 ND2 ASN A 438 -12.119 19.181 1.914 1.00 50.00 N ATOM 0 HA ASN A 438 -9.338 16.487 0.735 1.00 1.32 H new ATOM 0 HB2 ASN A 438 -9.591 19.373 1.701 1.00 54.54 H new ATOM 0 HB3 ASN A 438 -9.834 18.856 0.044 1.00 54.54 H new ATOM 0 HD21 ASN A 438 -13.097 19.007 2.145 1.00 50.00 H new ATOM 0 HD22 ASN A 438 -11.711 20.101 2.081 1.00 50.00 H new ATOM 898 N LEU A 439 -6.795 16.556 0.505 1.00 52.41 N ATOM 899 CA LEU A 439 -5.386 16.612 0.057 1.00 65.52 C ATOM 900 C LEU A 439 -5.263 16.997 -1.440 1.00 62.21 C ATOM 901 O LEU A 439 -4.149 17.188 -1.941 1.00 32.04 O ATOM 902 CB LEU A 439 -4.725 15.229 0.359 1.00 52.52 C ATOM 903 CG LEU A 439 -5.259 13.992 -0.449 1.00 31.34 C ATOM 904 CD1 LEU A 439 -4.484 13.815 -1.766 1.00 21.43 C ATOM 905 CD2 LEU A 439 -5.238 12.689 0.390 1.00 53.51 C ATOM 0 H LEU A 439 -7.168 15.607 0.539 1.00 52.41 H new ATOM 0 HA LEU A 439 -4.863 17.397 0.603 1.00 65.52 H new ATOM 0 HB2 LEU A 439 -3.654 15.318 0.174 1.00 52.52 H new ATOM 0 HB3 LEU A 439 -4.849 15.019 1.421 1.00 52.52 H new ATOM 0 HG LEU A 439 -6.302 14.197 -0.692 1.00 31.34 H new ATOM 0 HD11 LEU A 439 -4.874 12.952 -2.305 1.00 21.43 H new ATOM 0 HD12 LEU A 439 -4.600 14.708 -2.379 1.00 21.43 H new ATOM 0 HD13 LEU A 439 -3.427 13.659 -1.548 1.00 21.43 H new ATOM 0 HD21 LEU A 439 -5.616 11.863 -0.212 1.00 53.51 H new ATOM 0 HD22 LEU A 439 -4.216 12.473 0.701 1.00 53.51 H new ATOM 0 HD23 LEU A 439 -5.867 12.814 1.271 1.00 53.51 H new ATOM 917 N LYS A 440 -6.432 17.098 -2.118 1.00 30.14 N ATOM 918 CA LYS A 440 -6.560 17.306 -3.579 1.00 12.12 C ATOM 919 C LYS A 440 -6.034 16.079 -4.364 1.00 73.11 C ATOM 920 O LYS A 440 -4.852 15.990 -4.718 1.00 75.41 O ATOM 921 CB LYS A 440 -5.872 18.608 -4.065 1.00 11.31 C ATOM 922 CG LYS A 440 -6.286 19.882 -3.298 1.00 65.33 C ATOM 923 CD LYS A 440 -5.550 21.144 -3.807 1.00 23.43 C ATOM 924 CE LYS A 440 -4.031 20.932 -3.956 1.00 65.14 C ATOM 925 NZ LYS A 440 -3.301 22.182 -4.291 1.00 20.22 N ATOM 0 H LYS A 440 -7.336 17.035 -1.650 1.00 30.14 H new ATOM 0 HA LYS A 440 -7.625 17.420 -3.782 1.00 12.12 H new ATOM 0 HB2 LYS A 440 -4.792 18.485 -3.982 1.00 11.31 H new ATOM 0 HB3 LYS A 440 -6.096 18.748 -5.122 1.00 11.31 H new ATOM 0 HG2 LYS A 440 -7.362 20.028 -3.396 1.00 65.33 H new ATOM 0 HG3 LYS A 440 -6.078 19.747 -2.237 1.00 65.33 H new ATOM 0 HD2 LYS A 440 -5.967 21.438 -4.770 1.00 23.43 H new ATOM 0 HD3 LYS A 440 -5.731 21.968 -3.116 1.00 23.43 H new ATOM 0 HE2 LYS A 440 -3.634 20.524 -3.027 1.00 65.14 H new ATOM 0 HE3 LYS A 440 -3.848 20.191 -4.734 1.00 65.14 H new ATOM 0 HZ1 LYS A 440 -2.285 21.978 -4.379 1.00 20.22 H new ATOM 0 HZ2 LYS A 440 -3.657 22.561 -5.192 1.00 20.22 H new ATOM 0 HZ3 LYS A 440 -3.450 22.883 -3.538 1.00 20.22 H new ATOM 939 N THR A 441 -6.936 15.114 -4.599 1.00 74.54 N ATOM 940 CA THR A 441 -6.669 13.927 -5.445 1.00 25.34 C ATOM 941 C THR A 441 -6.878 14.242 -6.951 1.00 55.43 C ATOM 942 O THR A 441 -6.800 13.354 -7.805 1.00 24.05 O ATOM 943 CB THR A 441 -7.587 12.750 -5.005 1.00 21.33 C ATOM 944 OG1 THR A 441 -8.960 13.180 -5.021 1.00 51.43 O ATOM 945 CG2 THR A 441 -7.228 12.248 -3.593 1.00 42.41 C ATOM 0 H THR A 441 -7.878 15.130 -4.208 1.00 74.54 H new ATOM 0 HA THR A 441 -5.626 13.642 -5.311 1.00 25.34 H new ATOM 0 HB THR A 441 -7.439 11.929 -5.706 1.00 21.33 H new ATOM 0 HG1 THR A 441 -9.542 12.409 -5.184 1.00 51.43 H new ATOM 0 HG21 THR A 441 -7.890 11.426 -3.320 1.00 42.41 H new ATOM 0 HG22 THR A 441 -6.195 11.901 -3.582 1.00 42.41 H new ATOM 0 HG23 THR A 441 -7.345 13.061 -2.877 1.00 42.41 H new ATOM 953 N GLU A 442 -7.149 15.527 -7.236 1.00 21.34 N ATOM 954 CA GLU A 442 -7.223 16.114 -8.594 1.00 0.31 C ATOM 955 C GLU A 442 -5.945 15.816 -9.434 1.00 63.34 C ATOM 956 O GLU A 442 -6.020 15.510 -10.629 1.00 74.01 O ATOM 957 CB GLU A 442 -7.410 17.651 -8.423 1.00 21.31 C ATOM 958 CG GLU A 442 -7.598 18.456 -9.724 1.00 40.23 C ATOM 959 CD GLU A 442 -7.673 19.975 -9.478 1.00 24.41 C ATOM 960 OE1 GLU A 442 -8.737 20.469 -9.035 1.00 23.01 O ATOM 961 OE2 GLU A 442 -6.671 20.682 -9.717 1.00 64.15 O ATOM 0 H GLU A 442 -7.330 16.214 -6.504 1.00 21.34 H new ATOM 0 HA GLU A 442 -8.058 15.670 -9.136 1.00 0.31 H new ATOM 0 HB2 GLU A 442 -8.276 17.823 -7.784 1.00 21.31 H new ATOM 0 HB3 GLU A 442 -6.542 18.047 -7.896 1.00 21.31 H new ATOM 0 HG2 GLU A 442 -6.771 18.242 -10.401 1.00 40.23 H new ATOM 0 HG3 GLU A 442 -8.511 18.127 -10.221 1.00 40.23 H new ATOM 968 N GLN A 443 -4.785 15.898 -8.761 1.00 42.13 N ATOM 969 CA GLN A 443 -3.438 15.723 -9.370 1.00 3.15 C ATOM 970 C GLN A 443 -3.058 14.227 -9.582 1.00 22.35 C ATOM 971 O GLN A 443 -2.039 13.927 -10.217 1.00 50.42 O ATOM 972 CB GLN A 443 -2.373 16.413 -8.462 1.00 52.10 C ATOM 973 CG GLN A 443 -2.418 17.965 -8.445 1.00 32.22 C ATOM 974 CD GLN A 443 -3.695 18.585 -7.845 1.00 63.25 C ATOM 975 OE1 GLN A 443 -4.305 18.037 -6.933 1.00 21.44 O ATOM 976 NE2 GLN A 443 -4.121 19.722 -8.369 1.00 41.02 N ATOM 0 H GLN A 443 -4.747 16.091 -7.760 1.00 42.13 H new ATOM 0 HA GLN A 443 -3.463 16.185 -10.357 1.00 3.15 H new ATOM 0 HB2 GLN A 443 -2.501 16.051 -7.442 1.00 52.10 H new ATOM 0 HB3 GLN A 443 -1.382 16.099 -8.790 1.00 52.10 H new ATOM 0 HG2 GLN A 443 -1.559 18.330 -7.882 1.00 32.22 H new ATOM 0 HG3 GLN A 443 -2.306 18.326 -9.467 1.00 32.22 H new ATOM 0 HE21 GLN A 443 -3.599 20.161 -9.127 1.00 41.02 H new ATOM 0 HE22 GLN A 443 -4.972 20.160 -8.015 1.00 41.02 H new ATOM 985 N TRP A 444 -3.882 13.307 -9.049 1.00 42.31 N ATOM 986 CA TRP A 444 -3.595 11.851 -9.040 1.00 62.31 C ATOM 987 C TRP A 444 -3.946 11.163 -10.398 1.00 72.44 C ATOM 988 O TRP A 444 -4.812 11.650 -11.138 1.00 74.25 O ATOM 989 CB TRP A 444 -4.375 11.182 -7.872 1.00 64.35 C ATOM 990 CG TRP A 444 -3.865 11.511 -6.485 1.00 4.34 C ATOM 991 CD1 TRP A 444 -3.206 12.646 -6.076 1.00 62.14 C ATOM 992 CD2 TRP A 444 -3.996 10.685 -5.321 1.00 64.22 C ATOM 993 NE1 TRP A 444 -2.915 12.559 -4.743 1.00 63.10 N ATOM 994 CE2 TRP A 444 -3.387 11.365 -4.258 1.00 34.24 C ATOM 995 CE3 TRP A 444 -4.567 9.427 -5.079 1.00 75.35 C ATOM 996 CZ2 TRP A 444 -3.332 10.835 -2.972 1.00 54.33 C ATOM 997 CZ3 TRP A 444 -4.509 8.902 -3.800 1.00 30.33 C ATOM 998 CH2 TRP A 444 -3.891 9.612 -2.761 1.00 23.14 C ATOM 0 H TRP A 444 -4.770 13.548 -8.609 1.00 42.31 H new ATOM 0 HA TRP A 444 -2.522 11.722 -8.895 1.00 62.31 H new ATOM 0 HB2 TRP A 444 -5.421 11.480 -7.937 1.00 64.35 H new ATOM 0 HB3 TRP A 444 -4.343 10.101 -8.007 1.00 64.35 H new ATOM 0 HD1 TRP A 444 -2.956 13.482 -6.713 1.00 62.14 H new ATOM 0 HE1 TRP A 444 -2.426 13.268 -4.197 1.00 63.10 H new ATOM 0 HE3 TRP A 444 -5.044 8.877 -5.877 1.00 75.35 H new ATOM 0 HZ2 TRP A 444 -2.860 11.378 -2.166 1.00 54.33 H new ATOM 0 HZ3 TRP A 444 -4.945 7.934 -3.600 1.00 30.33 H new ATOM 0 HH2 TRP A 444 -3.858 9.179 -1.772 1.00 23.14 H new ATOM 1009 N PRO A 445 -3.260 10.015 -10.746 1.00 21.55 N ATOM 1010 CA PRO A 445 -3.539 9.237 -11.997 1.00 4.14 C ATOM 1011 C PRO A 445 -4.850 8.404 -11.924 1.00 51.13 C ATOM 1012 O PRO A 445 -5.645 8.564 -10.999 1.00 31.44 O ATOM 1013 CB PRO A 445 -2.285 8.325 -12.107 1.00 64.44 C ATOM 1014 CG PRO A 445 -1.881 8.084 -10.684 1.00 42.42 C ATOM 1015 CD PRO A 445 -2.148 9.391 -9.965 1.00 23.53 C ATOM 0 HA PRO A 445 -3.699 9.881 -12.862 1.00 4.14 H new ATOM 0 HB2 PRO A 445 -2.515 7.391 -12.619 1.00 64.44 H new ATOM 0 HB3 PRO A 445 -1.488 8.810 -12.671 1.00 64.44 H new ATOM 0 HG2 PRO A 445 -2.456 7.269 -10.245 1.00 42.42 H new ATOM 0 HG3 PRO A 445 -0.829 7.805 -10.616 1.00 42.42 H new ATOM 0 HD2 PRO A 445 -2.435 9.224 -8.927 1.00 23.53 H new ATOM 0 HD3 PRO A 445 -1.263 10.027 -9.953 1.00 23.53 H new ATOM 1023 N GLN A 446 -5.083 7.544 -12.936 1.00 53.00 N ATOM 1024 CA GLN A 446 -6.235 6.599 -12.938 1.00 74.11 C ATOM 1025 C GLN A 446 -5.847 5.220 -12.347 1.00 62.41 C ATOM 1026 O GLN A 446 -6.713 4.437 -11.937 1.00 24.23 O ATOM 1027 CB GLN A 446 -6.797 6.425 -14.378 1.00 10.32 C ATOM 1028 CG GLN A 446 -5.809 5.821 -15.403 1.00 61.35 C ATOM 1029 CD GLN A 446 -6.464 5.512 -16.754 1.00 43.43 C ATOM 1030 OE1 GLN A 446 -6.498 6.348 -17.651 1.00 1.23 O ATOM 1031 NE2 GLN A 446 -6.997 4.312 -16.905 1.00 3.04 N ATOM 0 H GLN A 446 -4.493 7.479 -13.765 1.00 53.00 H new ATOM 0 HA GLN A 446 -7.010 7.029 -12.303 1.00 74.11 H new ATOM 0 HB2 GLN A 446 -7.681 5.789 -14.331 1.00 10.32 H new ATOM 0 HB3 GLN A 446 -7.124 7.399 -14.743 1.00 10.32 H new ATOM 0 HG2 GLN A 446 -4.983 6.515 -15.556 1.00 61.35 H new ATOM 0 HG3 GLN A 446 -5.384 4.905 -14.993 1.00 61.35 H new ATOM 0 HE21 GLN A 446 -6.955 3.636 -16.143 1.00 3.04 H new ATOM 0 HE22 GLN A 446 -7.451 4.062 -17.784 1.00 3.04 H new ATOM 1040 N LYS A 447 -4.533 4.941 -12.306 1.00 51.43 N ATOM 1041 CA LYS A 447 -3.982 3.634 -11.884 1.00 4.01 C ATOM 1042 C LYS A 447 -2.896 3.807 -10.802 1.00 13.52 C ATOM 1043 O LYS A 447 -2.066 4.718 -10.882 1.00 63.14 O ATOM 1044 CB LYS A 447 -3.382 2.903 -13.116 1.00 4.55 C ATOM 1045 CG LYS A 447 -2.746 1.529 -12.801 1.00 44.13 C ATOM 1046 CD LYS A 447 -2.214 0.809 -14.055 1.00 51.21 C ATOM 1047 CE LYS A 447 -1.616 -0.567 -13.730 1.00 25.53 C ATOM 1048 NZ LYS A 447 -1.094 -1.246 -14.941 1.00 62.52 N ATOM 0 H LYS A 447 -3.816 5.618 -12.566 1.00 51.43 H new ATOM 0 HA LYS A 447 -4.792 3.042 -11.458 1.00 4.01 H new ATOM 0 HB2 LYS A 447 -4.168 2.763 -13.858 1.00 4.55 H new ATOM 0 HB3 LYS A 447 -2.626 3.544 -13.570 1.00 4.55 H new ATOM 0 HG2 LYS A 447 -1.928 1.667 -12.094 1.00 44.13 H new ATOM 0 HG3 LYS A 447 -3.486 0.896 -12.312 1.00 44.13 H new ATOM 0 HD2 LYS A 447 -3.025 0.689 -14.773 1.00 51.21 H new ATOM 0 HD3 LYS A 447 -1.455 1.429 -14.532 1.00 51.21 H new ATOM 0 HE2 LYS A 447 -0.811 -0.450 -13.004 1.00 25.53 H new ATOM 0 HE3 LYS A 447 -2.377 -1.192 -13.264 1.00 25.53 H new ATOM 0 HZ1 LYS A 447 -1.427 -2.231 -14.957 1.00 62.52 H new ATOM 0 HZ2 LYS A 447 -1.434 -0.751 -15.790 1.00 62.52 H new ATOM 0 HZ3 LYS A 447 -0.054 -1.232 -14.926 1.00 62.52 H new ATOM 1062 N LEU A 448 -2.911 2.910 -9.798 1.00 14.24 N ATOM 1063 CA LEU A 448 -1.855 2.815 -8.762 1.00 53.42 C ATOM 1064 C LEU A 448 -1.178 1.430 -8.819 1.00 11.13 C ATOM 1065 O LEU A 448 -1.857 0.404 -8.822 1.00 33.45 O ATOM 1066 CB LEU A 448 -2.447 3.076 -7.347 1.00 14.13 C ATOM 1067 CG LEU A 448 -2.991 4.518 -7.087 1.00 10.21 C ATOM 1068 CD1 LEU A 448 -3.491 4.687 -5.634 1.00 13.33 C ATOM 1069 CD2 LEU A 448 -1.936 5.587 -7.452 1.00 53.12 C ATOM 0 H LEU A 448 -3.658 2.226 -9.679 1.00 14.24 H new ATOM 0 HA LEU A 448 -1.104 3.580 -8.961 1.00 53.42 H new ATOM 0 HB2 LEU A 448 -3.258 2.367 -7.178 1.00 14.13 H new ATOM 0 HB3 LEU A 448 -1.676 2.861 -6.607 1.00 14.13 H new ATOM 0 HG LEU A 448 -3.851 4.666 -7.740 1.00 10.21 H new ATOM 0 HD11 LEU A 448 -3.861 5.702 -5.492 1.00 13.33 H new ATOM 0 HD12 LEU A 448 -4.295 3.977 -5.441 1.00 13.33 H new ATOM 0 HD13 LEU A 448 -2.669 4.501 -4.942 1.00 13.33 H new ATOM 0 HD21 LEU A 448 -2.343 6.580 -7.261 1.00 53.12 H new ATOM 0 HD22 LEU A 448 -1.042 5.438 -6.846 1.00 53.12 H new ATOM 0 HD23 LEU A 448 -1.678 5.498 -8.507 1.00 53.12 H new ATOM 1081 N ILE A 449 0.167 1.411 -8.892 1.00 41.52 N ATOM 1082 CA ILE A 449 0.967 0.162 -8.906 1.00 13.04 C ATOM 1083 C ILE A 449 1.584 -0.056 -7.505 1.00 4.50 C ATOM 1084 O ILE A 449 2.034 0.896 -6.866 1.00 21.14 O ATOM 1085 CB ILE A 449 2.105 0.172 -10.018 1.00 22.31 C ATOM 1086 CG1 ILE A 449 1.518 0.356 -11.471 1.00 71.20 C ATOM 1087 CG2 ILE A 449 2.967 -1.127 -9.953 1.00 45.41 C ATOM 1088 CD1 ILE A 449 1.014 1.751 -11.823 1.00 2.14 C ATOM 0 H ILE A 449 0.733 2.258 -8.943 1.00 41.52 H new ATOM 0 HA ILE A 449 0.298 -0.661 -9.158 1.00 13.04 H new ATOM 0 HB ILE A 449 2.741 1.031 -9.804 1.00 22.31 H new ATOM 0 HG12 ILE A 449 2.290 0.079 -12.189 1.00 71.20 H new ATOM 0 HG13 ILE A 449 0.696 -0.348 -11.600 1.00 71.20 H new ATOM 0 HG21 ILE A 449 3.736 -1.092 -10.724 1.00 45.41 H new ATOM 0 HG22 ILE A 449 3.439 -1.202 -8.973 1.00 45.41 H new ATOM 0 HG23 ILE A 449 2.329 -1.996 -10.116 1.00 45.41 H new ATOM 0 HD11 ILE A 449 0.635 1.754 -12.845 1.00 2.14 H new ATOM 0 HD12 ILE A 449 0.214 2.032 -11.138 1.00 2.14 H new ATOM 0 HD13 ILE A 449 1.832 2.466 -11.738 1.00 2.14 H new ATOM 1100 N MET A 450 1.618 -1.316 -7.051 1.00 73.24 N ATOM 1101 CA MET A 450 2.012 -1.680 -5.678 1.00 43.20 C ATOM 1102 C MET A 450 2.975 -2.888 -5.689 1.00 32.34 C ATOM 1103 O MET A 450 2.773 -3.837 -6.451 1.00 14.53 O ATOM 1104 CB MET A 450 0.715 -1.972 -4.867 1.00 65.15 C ATOM 1105 CG MET A 450 0.923 -2.313 -3.384 1.00 23.10 C ATOM 1106 SD MET A 450 1.239 -4.065 -3.088 1.00 42.42 S ATOM 1107 CE MET A 450 -0.393 -4.764 -3.348 1.00 62.24 C ATOM 0 H MET A 450 1.371 -2.120 -7.629 1.00 73.24 H new ATOM 0 HA MET A 450 2.553 -0.861 -5.204 1.00 43.20 H new ATOM 0 HB2 MET A 450 0.063 -1.101 -4.933 1.00 65.15 H new ATOM 0 HB3 MET A 450 0.190 -2.801 -5.342 1.00 65.15 H new ATOM 0 HG2 MET A 450 1.760 -1.730 -2.999 1.00 23.10 H new ATOM 0 HG3 MET A 450 0.039 -2.011 -2.822 1.00 23.10 H new ATOM 0 HE1 MET A 450 -0.302 -5.716 -3.871 1.00 62.24 H new ATOM 0 HE2 MET A 450 -0.878 -4.924 -2.385 1.00 62.24 H new ATOM 0 HE3 MET A 450 -0.992 -4.077 -3.946 1.00 62.24 H new ATOM 1117 N GLN A 451 4.049 -2.834 -4.866 1.00 20.45 N ATOM 1118 CA GLN A 451 5.010 -3.955 -4.729 1.00 61.11 C ATOM 1119 C GLN A 451 4.843 -4.651 -3.362 1.00 32.33 C ATOM 1120 O GLN A 451 4.718 -3.983 -2.324 1.00 63.44 O ATOM 1121 CB GLN A 451 6.481 -3.469 -4.888 1.00 61.13 C ATOM 1122 CG GLN A 451 7.481 -4.624 -5.147 1.00 64.21 C ATOM 1123 CD GLN A 451 8.953 -4.208 -5.123 1.00 13.05 C ATOM 1124 OE1 GLN A 451 9.498 -3.762 -6.123 1.00 73.43 O ATOM 1125 NE2 GLN A 451 9.625 -4.397 -4.000 1.00 2.35 N ATOM 0 H GLN A 451 4.272 -2.025 -4.286 1.00 20.45 H new ATOM 0 HA GLN A 451 4.793 -4.666 -5.526 1.00 61.11 H new ATOM 0 HB2 GLN A 451 6.535 -2.759 -5.713 1.00 61.13 H new ATOM 0 HB3 GLN A 451 6.779 -2.934 -3.986 1.00 61.13 H new ATOM 0 HG2 GLN A 451 7.324 -5.399 -4.397 1.00 64.21 H new ATOM 0 HG3 GLN A 451 7.258 -5.069 -6.117 1.00 64.21 H new ATOM 0 HE21 GLN A 451 9.150 -4.770 -3.178 1.00 2.35 H new ATOM 0 HE22 GLN A 451 10.618 -4.170 -3.956 1.00 2.35 H new ATOM 1134 N LEU A 452 4.874 -5.991 -3.375 1.00 2.11 N ATOM 1135 CA LEU A 452 4.752 -6.822 -2.168 1.00 65.03 C ATOM 1136 C LEU A 452 6.119 -6.965 -1.458 1.00 61.14 C ATOM 1137 O LEU A 452 7.049 -7.575 -1.996 1.00 74.10 O ATOM 1138 CB LEU A 452 4.204 -8.212 -2.565 1.00 0.51 C ATOM 1139 CG LEU A 452 2.815 -8.206 -3.276 1.00 20.31 C ATOM 1140 CD1 LEU A 452 2.465 -9.611 -3.803 1.00 71.30 C ATOM 1141 CD2 LEU A 452 1.712 -7.656 -2.334 1.00 34.43 C ATOM 0 H LEU A 452 4.985 -6.534 -4.231 1.00 2.11 H new ATOM 0 HA LEU A 452 4.064 -6.342 -1.472 1.00 65.03 H new ATOM 0 HB2 LEU A 452 4.927 -8.695 -3.222 1.00 0.51 H new ATOM 0 HB3 LEU A 452 4.131 -8.825 -1.667 1.00 0.51 H new ATOM 0 HG LEU A 452 2.872 -7.537 -4.135 1.00 20.31 H new ATOM 0 HD11 LEU A 452 1.493 -9.583 -4.295 1.00 71.30 H new ATOM 0 HD12 LEU A 452 3.224 -9.931 -4.517 1.00 71.30 H new ATOM 0 HD13 LEU A 452 2.431 -10.314 -2.970 1.00 71.30 H new ATOM 0 HD21 LEU A 452 0.754 -7.662 -2.853 1.00 34.43 H new ATOM 0 HD22 LEU A 452 1.647 -8.283 -1.445 1.00 34.43 H new ATOM 0 HD23 LEU A 452 1.959 -6.636 -2.041 1.00 34.43 H new ATOM 1153 N ILE A 453 6.234 -6.367 -0.264 1.00 33.14 N ATOM 1154 CA ILE A 453 7.422 -6.488 0.617 1.00 31.11 C ATOM 1155 C ILE A 453 6.978 -6.996 2.016 1.00 34.14 C ATOM 1156 O ILE A 453 5.883 -6.650 2.472 1.00 71.54 O ATOM 1157 CB ILE A 453 8.222 -5.125 0.768 1.00 42.55 C ATOM 1158 CG1 ILE A 453 7.295 -3.953 1.256 1.00 12.43 C ATOM 1159 CG2 ILE A 453 8.951 -4.755 -0.554 1.00 25.44 C ATOM 1160 CD1 ILE A 453 8.042 -2.703 1.712 1.00 72.15 C ATOM 0 H ILE A 453 5.501 -5.777 0.129 1.00 33.14 H new ATOM 0 HA ILE A 453 8.100 -7.202 0.149 1.00 31.11 H new ATOM 0 HB ILE A 453 8.979 -5.277 1.538 1.00 42.55 H new ATOM 0 HG12 ILE A 453 6.618 -3.681 0.446 1.00 12.43 H new ATOM 0 HG13 ILE A 453 6.679 -4.313 2.080 1.00 12.43 H new ATOM 0 HG21 ILE A 453 9.491 -3.817 -0.422 1.00 25.44 H new ATOM 0 HG22 ILE A 453 9.655 -5.545 -0.815 1.00 25.44 H new ATOM 0 HG23 ILE A 453 8.219 -4.643 -1.354 1.00 25.44 H new ATOM 0 HD11 ILE A 453 7.325 -1.947 2.031 1.00 72.15 H new ATOM 0 HD12 ILE A 453 8.699 -2.955 2.545 1.00 72.15 H new ATOM 0 HD13 ILE A 453 8.637 -2.313 0.886 1.00 72.15 H new ATOM 1172 N PRO A 454 7.796 -7.852 2.715 1.00 45.42 N ATOM 1173 CA PRO A 454 7.442 -8.363 4.068 1.00 40.12 C ATOM 1174 C PRO A 454 7.370 -7.235 5.132 1.00 20.04 C ATOM 1175 O PRO A 454 8.220 -6.333 5.167 1.00 54.21 O ATOM 1176 CB PRO A 454 8.566 -9.387 4.378 1.00 13.21 C ATOM 1177 CG PRO A 454 9.718 -8.941 3.532 1.00 25.35 C ATOM 1178 CD PRO A 454 9.102 -8.402 2.255 1.00 22.13 C ATOM 0 HA PRO A 454 6.447 -8.808 4.094 1.00 40.12 H new ATOM 0 HB2 PRO A 454 8.826 -9.384 5.437 1.00 13.21 H new ATOM 0 HB3 PRO A 454 8.259 -10.402 4.128 1.00 13.21 H new ATOM 0 HG2 PRO A 454 10.303 -8.174 4.039 1.00 25.35 H new ATOM 0 HG3 PRO A 454 10.394 -9.770 3.322 1.00 25.35 H new ATOM 0 HD2 PRO A 454 9.726 -7.632 1.800 1.00 22.13 H new ATOM 0 HD3 PRO A 454 8.969 -9.186 1.510 1.00 22.13 H new ATOM 1186 N GLN A 455 6.352 -7.321 6.003 1.00 23.43 N ATOM 1187 CA GLN A 455 6.082 -6.321 7.063 1.00 22.20 C ATOM 1188 C GLN A 455 7.210 -6.303 8.150 1.00 51.24 C ATOM 1189 O GLN A 455 7.297 -5.378 8.967 1.00 11.04 O ATOM 1190 CB GLN A 455 4.679 -6.619 7.669 1.00 4.42 C ATOM 1191 CG GLN A 455 4.122 -5.537 8.614 1.00 44.52 C ATOM 1192 CD GLN A 455 2.727 -5.855 9.171 1.00 41.23 C ATOM 1193 OE1 GLN A 455 2.349 -7.012 9.322 1.00 74.41 O ATOM 1194 NE2 GLN A 455 1.960 -4.830 9.501 1.00 71.52 N ATOM 0 H GLN A 455 5.684 -8.092 5.996 1.00 23.43 H new ATOM 0 HA GLN A 455 6.081 -5.320 6.632 1.00 22.20 H new ATOM 0 HB2 GLN A 455 3.972 -6.762 6.852 1.00 4.42 H new ATOM 0 HB3 GLN A 455 4.731 -7.561 8.214 1.00 4.42 H new ATOM 0 HG2 GLN A 455 4.813 -5.405 9.446 1.00 44.52 H new ATOM 0 HG3 GLN A 455 4.081 -4.588 8.080 1.00 44.52 H new ATOM 0 HE21 GLN A 455 2.297 -3.877 9.366 1.00 71.52 H new ATOM 0 HE22 GLN A 455 1.031 -4.992 9.891 1.00 71.52 H new ATOM 1203 N GLN A 456 8.072 -7.342 8.124 1.00 22.32 N ATOM 1204 CA GLN A 456 9.332 -7.408 8.912 1.00 75.21 C ATOM 1205 C GLN A 456 10.250 -6.177 8.646 1.00 42.32 C ATOM 1206 O GLN A 456 10.787 -5.581 9.578 1.00 41.10 O ATOM 1207 CB GLN A 456 10.085 -8.719 8.548 1.00 51.11 C ATOM 1208 CG GLN A 456 11.429 -8.939 9.279 1.00 13.52 C ATOM 1209 CD GLN A 456 12.152 -10.226 8.869 1.00 2.11 C ATOM 1210 OE1 GLN A 456 12.036 -10.691 7.739 1.00 52.14 O ATOM 1211 NE2 GLN A 456 12.914 -10.806 9.776 1.00 52.13 N ATOM 0 H GLN A 456 7.915 -8.171 7.550 1.00 22.32 H new ATOM 0 HA GLN A 456 9.076 -7.398 9.971 1.00 75.21 H new ATOM 0 HB2 GLN A 456 9.432 -9.564 8.763 1.00 51.11 H new ATOM 0 HB3 GLN A 456 10.270 -8.725 7.474 1.00 51.11 H new ATOM 0 HG2 GLN A 456 12.082 -8.088 9.083 1.00 13.52 H new ATOM 0 HG3 GLN A 456 11.248 -8.961 10.354 1.00 13.52 H new ATOM 0 HE21 GLN A 456 12.995 -10.401 10.709 1.00 52.13 H new ATOM 0 HE22 GLN A 456 13.422 -11.659 9.545 1.00 52.13 H new ATOM 1220 N LEU A 457 10.392 -5.802 7.359 1.00 32.45 N ATOM 1221 CA LEU A 457 11.268 -4.679 6.913 1.00 50.43 C ATOM 1222 C LEU A 457 10.758 -3.301 7.405 1.00 24.21 C ATOM 1223 O LEU A 457 11.534 -2.344 7.529 1.00 1.01 O ATOM 1224 CB LEU A 457 11.362 -4.689 5.366 1.00 62.25 C ATOM 1225 CG LEU A 457 11.869 -6.021 4.732 1.00 45.44 C ATOM 1226 CD1 LEU A 457 11.810 -5.967 3.195 1.00 72.43 C ATOM 1227 CD2 LEU A 457 13.291 -6.372 5.233 1.00 4.31 C ATOM 0 H LEU A 457 9.905 -6.265 6.591 1.00 32.45 H new ATOM 0 HA LEU A 457 12.254 -4.829 7.353 1.00 50.43 H new ATOM 0 HB2 LEU A 457 10.376 -4.465 4.958 1.00 62.25 H new ATOM 0 HB3 LEU A 457 12.026 -3.883 5.055 1.00 62.25 H new ATOM 0 HG LEU A 457 11.200 -6.819 5.055 1.00 45.44 H new ATOM 0 HD11 LEU A 457 12.170 -6.910 2.784 1.00 72.43 H new ATOM 0 HD12 LEU A 457 10.781 -5.801 2.876 1.00 72.43 H new ATOM 0 HD13 LEU A 457 12.437 -5.151 2.835 1.00 72.43 H new ATOM 0 HD21 LEU A 457 13.618 -7.305 4.774 1.00 4.31 H new ATOM 0 HD22 LEU A 457 13.980 -5.573 4.961 1.00 4.31 H new ATOM 0 HD23 LEU A 457 13.277 -6.486 6.317 1.00 4.31 H new ATOM 1239 N LEU A 458 9.445 -3.222 7.680 1.00 64.13 N ATOM 1240 CA LEU A 458 8.781 -1.972 8.139 1.00 41.51 C ATOM 1241 C LEU A 458 9.211 -1.544 9.559 1.00 61.32 C ATOM 1242 O LEU A 458 9.146 -0.357 9.902 1.00 22.32 O ATOM 1243 CB LEU A 458 7.246 -2.128 8.092 1.00 53.45 C ATOM 1244 CG LEU A 458 6.622 -2.470 6.704 1.00 51.42 C ATOM 1245 CD1 LEU A 458 5.095 -2.303 6.754 1.00 22.13 C ATOM 1246 CD2 LEU A 458 7.247 -1.637 5.562 1.00 33.01 C ATOM 0 H LEU A 458 8.809 -4.015 7.593 1.00 64.13 H new ATOM 0 HA LEU A 458 9.100 -1.187 7.453 1.00 41.51 H new ATOM 0 HB2 LEU A 458 6.961 -2.910 8.796 1.00 53.45 H new ATOM 0 HB3 LEU A 458 6.798 -1.200 8.448 1.00 53.45 H new ATOM 0 HG LEU A 458 6.849 -3.513 6.483 1.00 51.42 H new ATOM 0 HD11 LEU A 458 4.670 -2.544 5.780 1.00 22.13 H new ATOM 0 HD12 LEU A 458 4.680 -2.973 7.507 1.00 22.13 H new ATOM 0 HD13 LEU A 458 4.850 -1.273 7.011 1.00 22.13 H new ATOM 0 HD21 LEU A 458 6.781 -1.910 4.615 1.00 33.01 H new ATOM 0 HD22 LEU A 458 7.084 -0.576 5.754 1.00 33.01 H new ATOM 0 HD23 LEU A 458 8.317 -1.836 5.510 1.00 33.01 H new ATOM 1258 N THR A 459 9.641 -2.518 10.377 1.00 34.32 N ATOM 1259 CA THR A 459 10.123 -2.258 11.759 1.00 44.21 C ATOM 1260 C THR A 459 11.397 -1.374 11.760 1.00 53.04 C ATOM 1261 O THR A 459 11.663 -0.642 12.721 1.00 21.11 O ATOM 1262 CB THR A 459 10.432 -3.589 12.514 1.00 0.24 C ATOM 1263 OG1 THR A 459 11.547 -4.254 11.898 1.00 54.22 O ATOM 1264 CG2 THR A 459 9.213 -4.538 12.538 1.00 54.12 C ATOM 0 H THR A 459 9.668 -3.502 10.110 1.00 34.32 H new ATOM 0 HA THR A 459 9.320 -1.730 12.273 1.00 44.21 H new ATOM 0 HB THR A 459 10.675 -3.331 13.545 1.00 0.24 H new ATOM 0 HG1 THR A 459 11.243 -4.726 11.094 1.00 54.22 H new ATOM 0 HG21 THR A 459 9.473 -5.451 13.073 1.00 54.12 H new ATOM 0 HG22 THR A 459 8.380 -4.047 13.041 1.00 54.12 H new ATOM 0 HG23 THR A 459 8.925 -4.786 11.516 1.00 54.12 H new ATOM 1272 N THR A 460 12.171 -1.468 10.661 1.00 42.43 N ATOM 1273 CA THR A 460 13.359 -0.625 10.411 1.00 64.02 C ATOM 1274 C THR A 460 12.958 0.844 10.107 1.00 64.53 C ATOM 1275 O THR A 460 13.676 1.778 10.475 1.00 72.22 O ATOM 1276 CB THR A 460 14.204 -1.202 9.215 1.00 34.40 C ATOM 1277 OG1 THR A 460 14.466 -2.601 9.437 1.00 42.33 O ATOM 1278 CG2 THR A 460 15.547 -0.466 9.023 1.00 11.10 C ATOM 0 H THR A 460 11.988 -2.138 9.914 1.00 42.43 H new ATOM 0 HA THR A 460 13.964 -0.635 11.317 1.00 64.02 H new ATOM 0 HB THR A 460 13.614 -1.056 8.310 1.00 34.40 H new ATOM 0 HG1 THR A 460 14.991 -2.958 8.690 1.00 42.33 H new ATOM 0 HG21 THR A 460 16.087 -0.907 8.185 1.00 11.10 H new ATOM 0 HG22 THR A 460 15.358 0.588 8.819 1.00 11.10 H new ATOM 0 HG23 THR A 460 16.146 -0.559 9.929 1.00 11.10 H new ATOM 1286 N LEU A 461 11.794 1.037 9.448 1.00 74.04 N ATOM 1287 CA LEU A 461 11.317 2.389 9.040 1.00 2.14 C ATOM 1288 C LEU A 461 10.835 3.210 10.262 1.00 13.33 C ATOM 1289 O LEU A 461 11.142 4.399 10.360 1.00 43.32 O ATOM 1290 CB LEU A 461 10.167 2.291 7.999 1.00 34.02 C ATOM 1291 CG LEU A 461 10.470 1.470 6.702 1.00 24.44 C ATOM 1292 CD1 LEU A 461 9.245 1.454 5.763 1.00 22.35 C ATOM 1293 CD2 LEU A 461 11.734 1.992 5.970 1.00 53.42 C ATOM 0 H LEU A 461 11.164 0.279 9.185 1.00 74.04 H new ATOM 0 HA LEU A 461 12.165 2.900 8.584 1.00 2.14 H new ATOM 0 HB2 LEU A 461 9.300 1.848 8.489 1.00 34.02 H new ATOM 0 HB3 LEU A 461 9.885 3.302 7.705 1.00 34.02 H new ATOM 0 HG LEU A 461 10.678 0.444 7.005 1.00 24.44 H new ATOM 0 HD11 LEU A 461 9.480 0.877 4.868 1.00 22.35 H new ATOM 0 HD12 LEU A 461 8.399 0.998 6.277 1.00 22.35 H new ATOM 0 HD13 LEU A 461 8.990 2.475 5.480 1.00 22.35 H new ATOM 0 HD21 LEU A 461 11.909 1.395 5.075 1.00 53.42 H new ATOM 0 HD22 LEU A 461 11.586 3.034 5.687 1.00 53.42 H new ATOM 0 HD23 LEU A 461 12.596 1.914 6.632 1.00 53.42 H new ATOM 1305 N GLY A 462 10.069 2.530 11.155 1.00 44.30 N ATOM 1306 CA GLY A 462 9.511 3.085 12.406 1.00 54.35 C ATOM 1307 C GLY A 462 8.950 4.527 12.320 1.00 12.21 C ATOM 1308 O GLY A 462 7.788 4.714 11.937 1.00 0.03 O ATOM 0 H GLY A 462 9.818 1.551 11.015 1.00 44.30 H new ATOM 0 HA2 GLY A 462 8.713 2.426 12.748 1.00 54.35 H new ATOM 0 HA3 GLY A 462 10.290 3.065 13.168 1.00 54.35 H new ATOM 1312 N PRO A 463 9.775 5.568 12.690 1.00 74.23 N ATOM 1313 CA PRO A 463 9.407 7.021 12.607 1.00 24.23 C ATOM 1314 C PRO A 463 8.844 7.484 11.222 1.00 71.30 C ATOM 1315 O PRO A 463 8.114 8.479 11.154 1.00 15.41 O ATOM 1316 CB PRO A 463 10.751 7.750 12.940 1.00 33.04 C ATOM 1317 CG PRO A 463 11.807 6.681 12.868 1.00 3.32 C ATOM 1318 CD PRO A 463 11.127 5.400 13.272 1.00 64.10 C ATOM 0 HA PRO A 463 8.586 7.248 13.287 1.00 24.23 H new ATOM 0 HB2 PRO A 463 10.952 8.551 12.228 1.00 33.04 H new ATOM 0 HB3 PRO A 463 10.718 8.205 13.930 1.00 33.04 H new ATOM 0 HG2 PRO A 463 12.217 6.605 11.861 1.00 3.32 H new ATOM 0 HG3 PRO A 463 12.639 6.908 13.535 1.00 3.32 H new ATOM 0 HD2 PRO A 463 11.637 4.524 12.871 1.00 64.10 H new ATOM 0 HD3 PRO A 463 11.092 5.281 14.355 1.00 64.10 H new ATOM 1326 N LEU A 464 9.183 6.756 10.135 1.00 4.23 N ATOM 1327 CA LEU A 464 8.712 7.060 8.751 1.00 42.41 C ATOM 1328 C LEU A 464 7.192 6.799 8.539 1.00 64.02 C ATOM 1329 O LEU A 464 6.637 7.157 7.494 1.00 4.01 O ATOM 1330 CB LEU A 464 9.554 6.261 7.722 1.00 13.04 C ATOM 1331 CG LEU A 464 11.051 6.691 7.602 1.00 14.42 C ATOM 1332 CD1 LEU A 464 11.838 5.752 6.661 1.00 40.14 C ATOM 1333 CD2 LEU A 464 11.164 8.173 7.156 1.00 51.02 C ATOM 0 H LEU A 464 9.791 5.939 10.185 1.00 4.23 H new ATOM 0 HA LEU A 464 8.855 8.130 8.597 1.00 42.41 H new ATOM 0 HB2 LEU A 464 9.517 5.205 7.990 1.00 13.04 H new ATOM 0 HB3 LEU A 464 9.086 6.358 6.742 1.00 13.04 H new ATOM 0 HG LEU A 464 11.504 6.604 8.590 1.00 14.42 H new ATOM 0 HD11 LEU A 464 12.875 6.082 6.602 1.00 40.14 H new ATOM 0 HD12 LEU A 464 11.803 4.734 7.050 1.00 40.14 H new ATOM 0 HD13 LEU A 464 11.392 5.776 5.667 1.00 40.14 H new ATOM 0 HD21 LEU A 464 12.215 8.451 7.079 1.00 51.02 H new ATOM 0 HD22 LEU A 464 10.684 8.299 6.186 1.00 51.02 H new ATOM 0 HD23 LEU A 464 10.673 8.812 7.890 1.00 51.02 H new ATOM 1345 N PHE A 465 6.534 6.160 9.522 1.00 44.22 N ATOM 1346 CA PHE A 465 5.062 5.989 9.535 1.00 33.51 C ATOM 1347 C PHE A 465 4.349 7.204 10.169 1.00 74.13 C ATOM 1348 O PHE A 465 3.149 7.407 9.952 1.00 73.04 O ATOM 1349 CB PHE A 465 4.686 4.676 10.258 1.00 12.05 C ATOM 1350 CG PHE A 465 5.108 3.440 9.473 1.00 74.34 C ATOM 1351 CD1 PHE A 465 4.429 3.095 8.308 1.00 64.11 C ATOM 1352 CD2 PHE A 465 6.188 2.649 9.866 1.00 0.12 C ATOM 1353 CE1 PHE A 465 4.801 2.001 7.568 1.00 51.43 C ATOM 1354 CE2 PHE A 465 6.561 1.552 9.115 1.00 75.14 C ATOM 1355 CZ PHE A 465 5.863 1.232 7.968 1.00 33.14 C ATOM 0 H PHE A 465 7.001 5.747 10.329 1.00 44.22 H new ATOM 0 HA PHE A 465 4.719 5.927 8.502 1.00 33.51 H new ATOM 0 HB2 PHE A 465 5.157 4.658 11.241 1.00 12.05 H new ATOM 0 HB3 PHE A 465 3.609 4.650 10.421 1.00 12.05 H new ATOM 0 HD1 PHE A 465 3.595 3.699 7.981 1.00 64.11 H new ATOM 0 HD2 PHE A 465 6.736 2.896 10.763 1.00 0.12 H new ATOM 0 HE1 PHE A 465 4.257 1.746 6.670 1.00 51.43 H new ATOM 0 HE2 PHE A 465 7.399 0.945 9.425 1.00 75.14 H new ATOM 0 HZ PHE A 465 6.155 0.372 7.383 1.00 33.14 H new ATOM 1365 N ARG A 466 5.094 8.009 10.957 1.00 22.14 N ATOM 1366 CA ARG A 466 4.602 9.317 11.444 1.00 62.02 C ATOM 1367 C ARG A 466 4.723 10.379 10.320 1.00 40.24 C ATOM 1368 O ARG A 466 5.500 10.202 9.372 1.00 33.12 O ATOM 1369 CB ARG A 466 5.369 9.793 12.701 1.00 33.34 C ATOM 1370 CG ARG A 466 5.385 8.791 13.883 1.00 72.32 C ATOM 1371 CD ARG A 466 5.916 9.432 15.186 1.00 71.25 C ATOM 1372 NE ARG A 466 7.214 10.124 14.986 1.00 1.14 N ATOM 1373 CZ ARG A 466 7.412 11.431 15.069 1.00 51.53 C ATOM 1374 NH1 ARG A 466 6.447 12.242 15.396 1.00 72.20 N ATOM 1375 NH2 ARG A 466 8.576 11.923 14.822 1.00 12.44 N ATOM 0 H ARG A 466 6.037 7.777 11.269 1.00 22.14 H new ATOM 0 HA ARG A 466 3.556 9.192 11.723 1.00 62.02 H new ATOM 0 HB2 ARG A 466 6.398 10.012 12.418 1.00 33.34 H new ATOM 0 HB3 ARG A 466 4.927 10.728 13.044 1.00 33.34 H new ATOM 0 HG2 ARG A 466 4.376 8.414 14.051 1.00 72.32 H new ATOM 0 HG3 ARG A 466 6.006 7.934 13.622 1.00 72.32 H new ATOM 0 HD2 ARG A 466 5.182 10.144 15.563 1.00 71.25 H new ATOM 0 HD3 ARG A 466 6.032 8.660 15.947 1.00 71.25 H new ATOM 0 HE ARG A 466 8.023 9.543 14.766 1.00 1.14 H new ATOM 0 HH11 ARG A 466 5.517 11.874 15.594 1.00 72.20 H new ATOM 0 HH12 ARG A 466 6.622 13.245 15.454 1.00 72.20 H new ATOM 0 HH21 ARG A 466 9.346 11.306 14.562 1.00 12.44 H new ATOM 0 HH22 ARG A 466 8.728 12.930 14.886 1.00 12.44 H new ATOM 1389 N ASN A 467 3.913 11.458 10.442 1.00 40.14 N ATOM 1390 CA ASN A 467 3.724 12.528 9.409 1.00 5.13 C ATOM 1391 C ASN A 467 2.850 12.050 8.212 1.00 60.33 C ATOM 1392 O ASN A 467 2.325 12.869 7.449 1.00 35.03 O ATOM 1393 CB ASN A 467 5.061 13.125 8.887 1.00 3.41 C ATOM 1394 CG ASN A 467 5.978 13.687 9.977 1.00 64.32 C ATOM 1395 OD1 ASN A 467 5.531 14.157 11.018 1.00 24.44 O ATOM 1396 ND2 ASN A 467 7.277 13.661 9.732 1.00 4.52 N ATOM 0 H ASN A 467 3.355 11.621 11.280 1.00 40.14 H new ATOM 0 HA ASN A 467 3.192 13.325 9.929 1.00 5.13 H new ATOM 0 HB2 ASN A 467 5.600 12.351 8.341 1.00 3.41 H new ATOM 0 HB3 ASN A 467 4.836 13.919 8.175 1.00 3.41 H new ATOM 0 HD21 ASN A 467 7.933 14.037 10.417 1.00 4.52 H new ATOM 0 HD22 ASN A 467 7.623 13.265 8.858 1.00 4.52 H new ATOM 1403 N SER A 468 2.718 10.725 8.059 1.00 43.53 N ATOM 1404 CA SER A 468 1.908 10.087 7.014 1.00 52.11 C ATOM 1405 C SER A 468 0.409 10.111 7.391 1.00 54.14 C ATOM 1406 O SER A 468 0.029 9.574 8.437 1.00 62.54 O ATOM 1407 CB SER A 468 2.386 8.623 6.829 1.00 53.22 C ATOM 1408 OG SER A 468 3.770 8.561 6.515 1.00 55.24 O ATOM 0 H SER A 468 3.181 10.054 8.671 1.00 43.53 H new ATOM 0 HA SER A 468 2.030 10.638 6.081 1.00 52.11 H new ATOM 0 HB2 SER A 468 2.194 8.059 7.741 1.00 53.22 H new ATOM 0 HB3 SER A 468 1.810 8.149 6.034 1.00 53.22 H new ATOM 0 HG SER A 468 4.039 7.625 6.407 1.00 55.24 H new ATOM 1414 N ARG A 469 -0.441 10.747 6.555 1.00 61.55 N ATOM 1415 CA ARG A 469 -1.907 10.793 6.812 1.00 55.20 C ATOM 1416 C ARG A 469 -2.601 9.471 6.408 1.00 25.21 C ATOM 1417 O ARG A 469 -2.335 8.918 5.336 1.00 31.35 O ATOM 1418 CB ARG A 469 -2.601 12.010 6.128 1.00 1.03 C ATOM 1419 CG ARG A 469 -2.320 12.210 4.618 1.00 73.32 C ATOM 1420 CD ARG A 469 -3.318 13.195 3.935 1.00 4.12 C ATOM 1421 NE ARG A 469 -3.751 14.312 4.819 1.00 44.22 N ATOM 1422 CZ ARG A 469 -3.843 15.584 4.491 1.00 42.13 C ATOM 1423 NH1 ARG A 469 -3.392 16.033 3.365 1.00 11.00 N ATOM 1424 NH2 ARG A 469 -4.366 16.419 5.325 1.00 43.03 N ATOM 0 H ARG A 469 -0.148 11.231 5.706 1.00 61.55 H new ATOM 0 HA ARG A 469 -2.019 10.922 7.888 1.00 55.20 H new ATOM 0 HB2 ARG A 469 -3.678 11.909 6.264 1.00 1.03 H new ATOM 0 HB3 ARG A 469 -2.297 12.915 6.654 1.00 1.03 H new ATOM 0 HG2 ARG A 469 -1.304 12.584 4.490 1.00 73.32 H new ATOM 0 HG3 ARG A 469 -2.370 11.245 4.114 1.00 73.32 H new ATOM 0 HD2 ARG A 469 -2.852 13.610 3.041 1.00 4.12 H new ATOM 0 HD3 ARG A 469 -4.197 12.640 3.608 1.00 4.12 H new ATOM 0 HE ARG A 469 -4.002 14.067 5.777 1.00 44.22 H new ATOM 0 HH11 ARG A 469 -2.950 15.396 2.702 1.00 11.00 H new ATOM 0 HH12 ARG A 469 -3.478 17.024 3.140 1.00 11.00 H new ATOM 0 HH21 ARG A 469 -4.704 16.092 6.230 1.00 43.03 H new ATOM 0 HH22 ARG A 469 -4.441 17.406 5.079 1.00 43.03 H new ATOM 1438 N MET A 470 -3.497 8.979 7.285 1.00 14.21 N ATOM 1439 CA MET A 470 -4.204 7.692 7.104 1.00 10.31 C ATOM 1440 C MET A 470 -5.468 7.839 6.249 1.00 70.24 C ATOM 1441 O MET A 470 -6.444 8.488 6.642 1.00 43.13 O ATOM 1442 CB MET A 470 -4.570 7.082 8.479 1.00 11.23 C ATOM 1443 CG MET A 470 -3.375 6.492 9.203 1.00 62.14 C ATOM 1444 SD MET A 470 -3.714 6.112 10.940 1.00 54.24 S ATOM 1445 CE MET A 470 -2.102 5.566 11.519 1.00 53.01 C ATOM 0 H MET A 470 -3.754 9.464 8.145 1.00 14.21 H new ATOM 0 HA MET A 470 -3.523 7.025 6.575 1.00 10.31 H new ATOM 0 HB2 MET A 470 -5.022 7.853 9.103 1.00 11.23 H new ATOM 0 HB3 MET A 470 -5.322 6.305 8.337 1.00 11.23 H new ATOM 0 HG2 MET A 470 -3.062 5.581 8.692 1.00 62.14 H new ATOM 0 HG3 MET A 470 -2.541 7.192 9.146 1.00 62.14 H new ATOM 0 HE1 MET A 470 -2.173 5.267 12.565 1.00 53.01 H new ATOM 0 HE2 MET A 470 -1.769 4.718 10.921 1.00 53.01 H new ATOM 0 HE3 MET A 470 -1.385 6.382 11.423 1.00 53.01 H new ATOM 1455 N VAL A 471 -5.428 7.196 5.093 1.00 72.51 N ATOM 1456 CA VAL A 471 -6.589 7.055 4.181 1.00 3.32 C ATOM 1457 C VAL A 471 -7.052 5.579 4.139 1.00 25.33 C ATOM 1458 O VAL A 471 -6.462 4.712 4.795 1.00 2.02 O ATOM 1459 CB VAL A 471 -6.286 7.592 2.725 1.00 33.04 C ATOM 1460 CG1 VAL A 471 -5.854 9.081 2.754 1.00 75.11 C ATOM 1461 CG2 VAL A 471 -5.244 6.718 1.979 1.00 2.11 C ATOM 0 H VAL A 471 -4.583 6.745 4.742 1.00 72.51 H new ATOM 0 HA VAL A 471 -7.394 7.674 4.578 1.00 3.32 H new ATOM 0 HB VAL A 471 -7.217 7.522 2.162 1.00 33.04 H new ATOM 0 HG11 VAL A 471 -5.653 9.421 1.738 1.00 75.11 H new ATOM 0 HG12 VAL A 471 -6.653 9.683 3.187 1.00 75.11 H new ATOM 0 HG13 VAL A 471 -4.952 9.187 3.357 1.00 75.11 H new ATOM 0 HG21 VAL A 471 -5.070 7.128 0.984 1.00 2.11 H new ATOM 0 HG22 VAL A 471 -4.308 6.712 2.537 1.00 2.11 H new ATOM 0 HG23 VAL A 471 -5.620 5.699 1.891 1.00 2.11 H new ATOM 1471 N GLN A 472 -8.123 5.305 3.391 1.00 63.12 N ATOM 1472 CA GLN A 472 -8.729 3.956 3.297 1.00 72.34 C ATOM 1473 C GLN A 472 -8.890 3.522 1.824 1.00 52.43 C ATOM 1474 O GLN A 472 -9.263 4.319 0.981 1.00 55.44 O ATOM 1475 CB GLN A 472 -10.099 3.981 4.025 1.00 33.35 C ATOM 1476 CG GLN A 472 -10.986 2.732 3.823 1.00 60.11 C ATOM 1477 CD GLN A 472 -12.317 2.825 4.567 1.00 75.13 C ATOM 1478 OE1 GLN A 472 -12.815 3.912 4.834 1.00 10.30 O ATOM 1479 NE2 GLN A 472 -12.925 1.697 4.864 1.00 0.42 N ATOM 0 H GLN A 472 -8.603 6.008 2.828 1.00 63.12 H new ATOM 0 HA GLN A 472 -8.075 3.226 3.774 1.00 72.34 H new ATOM 0 HB2 GLN A 472 -9.920 4.109 5.093 1.00 33.35 H new ATOM 0 HB3 GLN A 472 -10.654 4.857 3.688 1.00 33.35 H new ATOM 0 HG2 GLN A 472 -11.179 2.597 2.759 1.00 60.11 H new ATOM 0 HG3 GLN A 472 -10.445 1.849 4.164 1.00 60.11 H new ATOM 0 HE21 GLN A 472 -12.488 0.805 4.630 1.00 0.42 H new ATOM 0 HE22 GLN A 472 -13.833 1.714 5.328 1.00 0.42 H new ATOM 1488 N PHE A 473 -8.589 2.245 1.536 1.00 11.04 N ATOM 1489 CA PHE A 473 -8.777 1.627 0.204 1.00 75.23 C ATOM 1490 C PHE A 473 -9.922 0.596 0.275 1.00 12.04 C ATOM 1491 O PHE A 473 -9.783 -0.467 0.898 1.00 51.33 O ATOM 1492 CB PHE A 473 -7.465 0.952 -0.287 1.00 23.03 C ATOM 1493 CG PHE A 473 -6.377 1.933 -0.734 1.00 63.41 C ATOM 1494 CD1 PHE A 473 -5.718 2.753 0.186 1.00 55.41 C ATOM 1495 CD2 PHE A 473 -6.016 2.038 -2.080 1.00 1.50 C ATOM 1496 CE1 PHE A 473 -4.740 3.638 -0.225 1.00 44.25 C ATOM 1497 CE2 PHE A 473 -5.037 2.924 -2.489 1.00 22.15 C ATOM 1498 CZ PHE A 473 -4.401 3.725 -1.562 1.00 34.52 C ATOM 0 H PHE A 473 -8.203 1.601 2.227 1.00 11.04 H new ATOM 0 HA PHE A 473 -9.037 2.406 -0.513 1.00 75.23 H new ATOM 0 HB2 PHE A 473 -7.069 0.330 0.515 1.00 23.03 H new ATOM 0 HB3 PHE A 473 -7.702 0.288 -1.118 1.00 23.03 H new ATOM 0 HD1 PHE A 473 -5.977 2.694 1.233 1.00 55.41 H new ATOM 0 HD2 PHE A 473 -6.510 1.417 -2.813 1.00 1.50 H new ATOM 0 HE1 PHE A 473 -4.239 4.263 0.500 1.00 44.25 H new ATOM 0 HE2 PHE A 473 -4.770 2.990 -3.533 1.00 22.15 H new ATOM 0 HZ PHE A 473 -3.638 4.420 -1.882 1.00 34.52 H new ATOM 1508 N HIS A 474 -11.057 0.939 -0.348 1.00 1.31 N ATOM 1509 CA HIS A 474 -12.232 0.057 -0.461 1.00 42.11 C ATOM 1510 C HIS A 474 -12.308 -0.513 -1.895 1.00 35.42 C ATOM 1511 O HIS A 474 -12.438 0.243 -2.864 1.00 14.34 O ATOM 1512 CB HIS A 474 -13.511 0.854 -0.095 1.00 62.03 C ATOM 1513 CG HIS A 474 -14.784 0.041 -0.116 1.00 32.01 C ATOM 1514 ND1 HIS A 474 -14.995 -0.968 0.788 1.00 33.42 N ATOM 1515 CD2 HIS A 474 -15.851 0.110 -0.953 1.00 34.35 C ATOM 1516 CE1 HIS A 474 -16.168 -1.491 0.485 1.00 40.04 C ATOM 1517 NE2 HIS A 474 -16.727 -0.871 -0.561 1.00 54.33 N ATOM 0 H HIS A 474 -11.189 1.847 -0.794 1.00 1.31 H new ATOM 0 HA HIS A 474 -12.146 -0.780 0.232 1.00 42.11 H new ATOM 0 HB2 HIS A 474 -13.385 1.282 0.899 1.00 62.03 H new ATOM 0 HB3 HIS A 474 -13.616 1.687 -0.790 1.00 62.03 H new ATOM 0 HD2 HIS A 474 -15.985 0.804 -1.770 1.00 34.35 H new ATOM 0 HE1 HIS A 474 -16.620 -2.316 1.015 1.00 40.04 H new ATOM 0 HE2 HIS A 474 -17.630 -1.086 -0.985 1.00 54.33 H new ATOM 1525 N PHE A 475 -12.232 -1.850 -2.026 1.00 13.23 N ATOM 1526 CA PHE A 475 -12.193 -2.542 -3.340 1.00 43.12 C ATOM 1527 C PHE A 475 -13.615 -2.890 -3.861 1.00 21.42 C ATOM 1528 O PHE A 475 -13.801 -3.911 -4.536 1.00 23.13 O ATOM 1529 CB PHE A 475 -11.302 -3.810 -3.225 1.00 52.42 C ATOM 1530 CG PHE A 475 -9.833 -3.497 -2.937 1.00 4.14 C ATOM 1531 CD1 PHE A 475 -8.945 -3.230 -3.977 1.00 22.43 C ATOM 1532 CD2 PHE A 475 -9.341 -3.464 -1.632 1.00 34.43 C ATOM 1533 CE1 PHE A 475 -7.618 -2.945 -3.725 1.00 11.43 C ATOM 1534 CE2 PHE A 475 -8.011 -3.176 -1.386 1.00 11.21 C ATOM 1535 CZ PHE A 475 -7.152 -2.918 -2.429 1.00 4.43 C ATOM 0 H PHE A 475 -12.196 -2.486 -1.229 1.00 13.23 H new ATOM 0 HA PHE A 475 -11.759 -1.865 -4.075 1.00 43.12 H new ATOM 0 HB2 PHE A 475 -11.692 -4.448 -2.432 1.00 52.42 H new ATOM 0 HB3 PHE A 475 -11.370 -4.378 -4.153 1.00 52.42 H new ATOM 0 HD1 PHE A 475 -9.301 -3.246 -4.997 1.00 22.43 H new ATOM 0 HD2 PHE A 475 -10.006 -3.666 -0.805 1.00 34.43 H new ATOM 0 HE1 PHE A 475 -6.945 -2.743 -4.545 1.00 11.43 H new ATOM 0 HE2 PHE A 475 -7.645 -3.154 -0.370 1.00 11.21 H new ATOM 0 HZ PHE A 475 -6.114 -2.695 -2.232 1.00 4.43 H new ATOM 1545 N THR A 476 -14.578 -1.962 -3.610 1.00 33.43 N ATOM 1546 CA THR A 476 -16.032 -2.090 -3.946 1.00 50.12 C ATOM 1547 C THR A 476 -16.694 -3.342 -3.292 1.00 14.40 C ATOM 1548 O THR A 476 -17.459 -3.208 -2.327 1.00 33.25 O ATOM 1549 CB THR A 476 -16.332 -2.002 -5.498 1.00 33.54 C ATOM 1550 OG1 THR A 476 -15.739 -3.096 -6.216 1.00 45.23 O ATOM 1551 CG2 THR A 476 -15.822 -0.672 -6.098 1.00 61.13 C ATOM 0 H THR A 476 -14.362 -1.075 -3.154 1.00 33.43 H new ATOM 0 HA THR A 476 -16.504 -1.215 -3.500 1.00 50.12 H new ATOM 0 HB THR A 476 -17.416 -2.052 -5.605 1.00 33.54 H new ATOM 0 HG1 THR A 476 -14.957 -3.424 -5.725 1.00 45.23 H new ATOM 0 HG21 THR A 476 -16.044 -0.645 -7.165 1.00 61.13 H new ATOM 0 HG22 THR A 476 -16.317 0.164 -5.603 1.00 61.13 H new ATOM 0 HG23 THR A 476 -14.745 -0.595 -5.950 1.00 61.13 H new ATOM 1559 N ASN A 477 -16.396 -4.547 -3.815 1.00 63.21 N ATOM 1560 CA ASN A 477 -16.815 -5.841 -3.199 1.00 41.50 C ATOM 1561 C ASN A 477 -15.705 -6.400 -2.273 1.00 64.23 C ATOM 1562 O ASN A 477 -14.550 -5.972 -2.345 1.00 50.01 O ATOM 1563 CB ASN A 477 -17.147 -6.877 -4.300 1.00 30.21 C ATOM 1564 CG ASN A 477 -18.347 -6.486 -5.156 1.00 41.13 C ATOM 1565 OD1 ASN A 477 -18.212 -5.839 -6.186 1.00 33.32 O ATOM 1566 ND2 ASN A 477 -19.533 -6.873 -4.734 1.00 24.52 N ATOM 0 H ASN A 477 -15.859 -4.661 -4.675 1.00 63.21 H new ATOM 0 HA ASN A 477 -17.706 -5.655 -2.599 1.00 41.50 H new ATOM 0 HB2 ASN A 477 -16.277 -7.004 -4.944 1.00 30.21 H new ATOM 0 HB3 ASN A 477 -17.342 -7.843 -3.833 1.00 30.21 H new ATOM 0 HD21 ASN A 477 -20.368 -6.634 -5.269 1.00 24.52 H new ATOM 0 HD22 ASN A 477 -19.617 -7.411 -3.872 1.00 24.52 H new ATOM 1573 N LYS A 478 -16.061 -7.381 -1.419 1.00 35.21 N ATOM 1574 CA LYS A 478 -15.121 -7.979 -0.427 1.00 62.12 C ATOM 1575 C LYS A 478 -14.810 -9.479 -0.707 1.00 5.40 C ATOM 1576 O LYS A 478 -13.987 -10.083 -0.009 1.00 13.13 O ATOM 1577 CB LYS A 478 -15.669 -7.738 1.019 1.00 44.54 C ATOM 1578 CG LYS A 478 -17.132 -8.202 1.296 1.00 25.53 C ATOM 1579 CD LYS A 478 -17.270 -9.717 1.588 1.00 63.43 C ATOM 1580 CE LYS A 478 -18.709 -10.135 1.943 1.00 43.11 C ATOM 1581 NZ LYS A 478 -18.810 -11.580 2.278 1.00 20.13 N ATOM 0 H LYS A 478 -16.998 -7.784 -1.391 1.00 35.21 H new ATOM 0 HA LYS A 478 -14.159 -7.476 -0.525 1.00 62.12 H new ATOM 0 HB2 LYS A 478 -15.011 -8.248 1.722 1.00 44.54 H new ATOM 0 HB3 LYS A 478 -15.603 -6.672 1.236 1.00 44.54 H new ATOM 0 HG2 LYS A 478 -17.525 -7.642 2.145 1.00 25.53 H new ATOM 0 HG3 LYS A 478 -17.751 -7.951 0.434 1.00 25.53 H new ATOM 0 HD2 LYS A 478 -16.939 -10.281 0.716 1.00 63.43 H new ATOM 0 HD3 LYS A 478 -16.607 -9.984 2.411 1.00 63.43 H new ATOM 0 HE2 LYS A 478 -19.059 -9.543 2.789 1.00 43.11 H new ATOM 0 HE3 LYS A 478 -19.367 -9.912 1.103 1.00 43.11 H new ATOM 0 HZ1 LYS A 478 -19.787 -11.903 2.129 1.00 20.13 H new ATOM 0 HZ2 LYS A 478 -18.168 -12.124 1.666 1.00 20.13 H new ATOM 0 HZ3 LYS A 478 -18.545 -11.725 3.273 1.00 20.13 H new ATOM 1595 N ASP A 479 -15.462 -10.074 -1.733 1.00 33.12 N ATOM 1596 CA ASP A 479 -15.227 -11.484 -2.142 1.00 64.34 C ATOM 1597 C ASP A 479 -14.958 -11.618 -3.661 1.00 5.32 C ATOM 1598 O ASP A 479 -15.865 -11.900 -4.450 1.00 13.12 O ATOM 1599 CB ASP A 479 -16.404 -12.419 -1.697 1.00 12.23 C ATOM 1600 CG ASP A 479 -16.166 -13.088 -0.336 1.00 3.01 C ATOM 1601 OD1 ASP A 479 -15.132 -13.775 -0.184 1.00 62.13 O ATOM 1602 OD2 ASP A 479 -17.016 -12.978 0.568 1.00 34.35 O ATOM 0 H ASP A 479 -16.162 -9.596 -2.300 1.00 33.12 H new ATOM 0 HA ASP A 479 -14.325 -11.810 -1.624 1.00 64.34 H new ATOM 0 HB2 ASP A 479 -17.324 -11.837 -1.652 1.00 12.23 H new ATOM 0 HB3 ASP A 479 -16.552 -13.191 -2.453 1.00 12.23 H new ATOM 1607 N LEU A 480 -13.701 -11.351 -4.058 1.00 72.13 N ATOM 1608 CA LEU A 480 -13.158 -11.720 -5.395 1.00 10.43 C ATOM 1609 C LEU A 480 -11.952 -12.665 -5.184 1.00 63.22 C ATOM 1610 O LEU A 480 -11.322 -12.608 -4.135 1.00 53.02 O ATOM 1611 CB LEU A 480 -12.720 -10.463 -6.223 1.00 74.11 C ATOM 1612 CG LEU A 480 -13.809 -9.375 -6.548 1.00 34.32 C ATOM 1613 CD1 LEU A 480 -15.095 -9.992 -7.139 1.00 51.04 C ATOM 1614 CD2 LEU A 480 -14.106 -8.473 -5.329 1.00 64.24 C ATOM 0 H LEU A 480 -13.024 -10.872 -3.465 1.00 72.13 H new ATOM 0 HA LEU A 480 -13.943 -12.216 -5.967 1.00 10.43 H new ATOM 0 HB2 LEU A 480 -11.910 -9.973 -5.683 1.00 74.11 H new ATOM 0 HB3 LEU A 480 -12.306 -10.814 -7.168 1.00 74.11 H new ATOM 0 HG LEU A 480 -13.388 -8.734 -7.322 1.00 34.32 H new ATOM 0 HD11 LEU A 480 -15.816 -9.201 -7.346 1.00 51.04 H new ATOM 0 HD12 LEU A 480 -14.855 -10.516 -8.064 1.00 51.04 H new ATOM 0 HD13 LEU A 480 -15.523 -10.695 -6.424 1.00 51.04 H new ATOM 0 HD21 LEU A 480 -14.863 -7.736 -5.597 1.00 64.24 H new ATOM 0 HD22 LEU A 480 -14.471 -9.085 -4.504 1.00 64.24 H new ATOM 0 HD23 LEU A 480 -13.193 -7.961 -5.024 1.00 64.24 H new ATOM 1626 N GLU A 481 -11.627 -13.520 -6.170 1.00 14.12 N ATOM 1627 CA GLU A 481 -10.538 -14.537 -6.032 1.00 50.32 C ATOM 1628 C GLU A 481 -9.131 -13.889 -6.032 1.00 61.33 C ATOM 1629 O GLU A 481 -8.234 -14.328 -5.300 1.00 31.33 O ATOM 1630 CB GLU A 481 -10.660 -15.623 -7.142 1.00 40.31 C ATOM 1631 CG GLU A 481 -11.786 -16.667 -6.913 1.00 0.50 C ATOM 1632 CD GLU A 481 -13.185 -16.050 -6.723 1.00 72.40 C ATOM 1633 OE1 GLU A 481 -13.768 -15.575 -7.721 1.00 54.23 O ATOM 1634 OE2 GLU A 481 -13.687 -15.996 -5.571 1.00 71.43 O ATOM 0 H GLU A 481 -12.096 -13.537 -7.076 1.00 14.12 H new ATOM 0 HA GLU A 481 -10.661 -15.020 -5.063 1.00 50.32 H new ATOM 0 HB2 GLU A 481 -10.833 -15.128 -8.097 1.00 40.31 H new ATOM 0 HB3 GLU A 481 -9.708 -16.148 -7.223 1.00 40.31 H new ATOM 0 HG2 GLU A 481 -11.813 -17.349 -7.763 1.00 0.50 H new ATOM 0 HG3 GLU A 481 -11.541 -17.263 -6.034 1.00 0.50 H new ATOM 1641 N SER A 482 -8.957 -12.836 -6.845 1.00 22.22 N ATOM 1642 CA SER A 482 -7.719 -12.012 -6.851 1.00 2.11 C ATOM 1643 C SER A 482 -7.554 -11.262 -5.504 1.00 1.25 C ATOM 1644 O SER A 482 -6.437 -11.036 -5.031 1.00 32.52 O ATOM 1645 CB SER A 482 -7.756 -11.007 -8.022 1.00 34.11 C ATOM 1646 OG SER A 482 -7.897 -11.680 -9.267 1.00 44.11 O ATOM 0 H SER A 482 -9.660 -12.526 -7.516 1.00 22.22 H new ATOM 0 HA SER A 482 -6.863 -12.675 -6.981 1.00 2.11 H new ATOM 0 HB2 SER A 482 -8.585 -10.313 -7.884 1.00 34.11 H new ATOM 0 HB3 SER A 482 -6.841 -10.414 -8.026 1.00 34.11 H new ATOM 0 HG SER A 482 -7.920 -11.023 -9.993 1.00 44.11 H new ATOM 1652 N LEU A 483 -8.705 -10.895 -4.902 1.00 65.11 N ATOM 1653 CA LEU A 483 -8.766 -10.224 -3.585 1.00 45.14 C ATOM 1654 C LEU A 483 -8.512 -11.217 -2.428 1.00 42.25 C ATOM 1655 O LEU A 483 -7.929 -10.847 -1.420 1.00 64.13 O ATOM 1656 CB LEU A 483 -10.139 -9.529 -3.422 1.00 41.21 C ATOM 1657 CG LEU A 483 -10.333 -8.628 -2.164 1.00 61.12 C ATOM 1658 CD1 LEU A 483 -9.261 -7.514 -2.070 1.00 14.32 C ATOM 1659 CD2 LEU A 483 -11.759 -8.040 -2.137 1.00 23.12 C ATOM 0 H LEU A 483 -9.623 -11.056 -5.317 1.00 65.11 H new ATOM 0 HA LEU A 483 -7.976 -9.474 -3.543 1.00 45.14 H new ATOM 0 HB2 LEU A 483 -10.316 -8.918 -4.307 1.00 41.21 H new ATOM 0 HB3 LEU A 483 -10.909 -10.300 -3.408 1.00 41.21 H new ATOM 0 HG LEU A 483 -10.203 -9.259 -1.285 1.00 61.12 H new ATOM 0 HD11 LEU A 483 -9.438 -6.913 -1.178 1.00 14.32 H new ATOM 0 HD12 LEU A 483 -8.271 -7.966 -2.013 1.00 14.32 H new ATOM 0 HD13 LEU A 483 -9.319 -6.878 -2.953 1.00 14.32 H new ATOM 0 HD21 LEU A 483 -11.878 -7.414 -1.253 1.00 23.12 H new ATOM 0 HD22 LEU A 483 -11.922 -7.439 -3.032 1.00 23.12 H new ATOM 0 HD23 LEU A 483 -12.487 -8.851 -2.107 1.00 23.12 H new ATOM 1671 N LYS A 484 -8.964 -12.483 -2.586 1.00 15.41 N ATOM 1672 CA LYS A 484 -8.676 -13.579 -1.621 1.00 32.22 C ATOM 1673 C LYS A 484 -7.161 -13.872 -1.577 1.00 14.33 C ATOM 1674 O LYS A 484 -6.609 -14.207 -0.519 1.00 13.55 O ATOM 1675 CB LYS A 484 -9.464 -14.869 -1.980 1.00 3.41 C ATOM 1676 CG LYS A 484 -10.997 -14.768 -1.794 1.00 51.22 C ATOM 1677 CD LYS A 484 -11.719 -16.099 -2.117 1.00 21.55 C ATOM 1678 CE LYS A 484 -13.231 -16.040 -1.844 1.00 0.54 C ATOM 1679 NZ LYS A 484 -13.937 -15.074 -2.731 1.00 54.20 N ATOM 0 H LYS A 484 -9.535 -12.776 -3.379 1.00 15.41 H new ATOM 0 HA LYS A 484 -9.002 -13.250 -0.634 1.00 32.22 H new ATOM 0 HB2 LYS A 484 -9.255 -15.128 -3.018 1.00 3.41 H new ATOM 0 HB3 LYS A 484 -9.091 -15.688 -1.365 1.00 3.41 H new ATOM 0 HG2 LYS A 484 -11.217 -14.478 -0.767 1.00 51.22 H new ATOM 0 HG3 LYS A 484 -11.387 -13.980 -2.438 1.00 51.22 H new ATOM 0 HD2 LYS A 484 -11.553 -16.352 -3.164 1.00 21.55 H new ATOM 0 HD3 LYS A 484 -11.278 -16.899 -1.523 1.00 21.55 H new ATOM 0 HE2 LYS A 484 -13.660 -17.033 -1.980 1.00 0.54 H new ATOM 0 HE3 LYS A 484 -13.398 -15.761 -0.804 1.00 0.54 H new ATOM 0 HZ1 LYS A 484 -14.950 -15.061 -2.494 1.00 54.20 H new ATOM 0 HZ2 LYS A 484 -13.538 -14.123 -2.596 1.00 54.20 H new ATOM 0 HZ3 LYS A 484 -13.817 -15.362 -3.723 1.00 54.20 H new ATOM 1693 N GLY A 485 -6.512 -13.736 -2.751 1.00 55.40 N ATOM 1694 CA GLY A 485 -5.053 -13.748 -2.847 1.00 45.44 C ATOM 1695 C GLY A 485 -4.404 -12.611 -2.044 1.00 60.40 C ATOM 1696 O GLY A 485 -3.534 -12.865 -1.229 1.00 23.12 O ATOM 0 H GLY A 485 -6.986 -13.616 -3.646 1.00 55.40 H new ATOM 0 HA2 GLY A 485 -4.676 -14.705 -2.487 1.00 45.44 H new ATOM 0 HA3 GLY A 485 -4.760 -13.663 -3.893 1.00 45.44 H new ATOM 1700 N LEU A 486 -4.891 -11.367 -2.245 1.00 4.42 N ATOM 1701 CA LEU A 486 -4.373 -10.147 -1.550 1.00 31.24 C ATOM 1702 C LEU A 486 -4.531 -10.243 -0.002 1.00 72.32 C ATOM 1703 O LEU A 486 -3.619 -9.878 0.755 1.00 12.32 O ATOM 1704 CB LEU A 486 -5.104 -8.886 -2.101 1.00 21.33 C ATOM 1705 CG LEU A 486 -4.597 -7.494 -1.591 1.00 42.11 C ATOM 1706 CD1 LEU A 486 -3.102 -7.267 -1.928 1.00 3.23 C ATOM 1707 CD2 LEU A 486 -5.480 -6.345 -2.146 1.00 25.11 C ATOM 0 H LEU A 486 -5.655 -11.170 -2.892 1.00 4.42 H new ATOM 0 HA LEU A 486 -3.305 -10.068 -1.754 1.00 31.24 H new ATOM 0 HB2 LEU A 486 -5.028 -8.897 -3.188 1.00 21.33 H new ATOM 0 HB3 LEU A 486 -6.162 -8.973 -1.855 1.00 21.33 H new ATOM 0 HG LEU A 486 -4.684 -7.492 -0.505 1.00 42.11 H new ATOM 0 HD11 LEU A 486 -2.790 -6.291 -1.557 1.00 3.23 H new ATOM 0 HD12 LEU A 486 -2.501 -8.044 -1.456 1.00 3.23 H new ATOM 0 HD13 LEU A 486 -2.962 -7.307 -3.008 1.00 3.23 H new ATOM 0 HD21 LEU A 486 -5.107 -5.389 -1.777 1.00 25.11 H new ATOM 0 HD22 LEU A 486 -5.445 -6.353 -3.235 1.00 25.11 H new ATOM 0 HD23 LEU A 486 -6.509 -6.485 -1.816 1.00 25.11 H new ATOM 1719 N TYR A 487 -5.706 -10.742 0.444 1.00 62.20 N ATOM 1720 CA TYR A 487 -5.978 -11.075 1.870 1.00 31.34 C ATOM 1721 C TYR A 487 -4.924 -12.064 2.441 1.00 53.01 C ATOM 1722 O TYR A 487 -4.433 -11.894 3.564 1.00 73.42 O ATOM 1723 CB TYR A 487 -7.395 -11.705 2.032 1.00 35.42 C ATOM 1724 CG TYR A 487 -8.598 -10.755 1.854 1.00 2.23 C ATOM 1725 CD1 TYR A 487 -8.619 -9.495 2.447 1.00 42.41 C ATOM 1726 CD2 TYR A 487 -9.735 -11.144 1.130 1.00 63.40 C ATOM 1727 CE1 TYR A 487 -9.715 -8.660 2.320 1.00 31.24 C ATOM 1728 CE2 TYR A 487 -10.830 -10.314 1.009 1.00 72.45 C ATOM 1729 CZ TYR A 487 -10.815 -9.071 1.604 1.00 54.01 C ATOM 1730 OH TYR A 487 -11.908 -8.235 1.484 1.00 62.31 O ATOM 0 H TYR A 487 -6.497 -10.927 -0.172 1.00 62.20 H new ATOM 0 HA TYR A 487 -5.923 -10.139 2.427 1.00 31.34 H new ATOM 0 HB2 TYR A 487 -7.492 -12.516 1.310 1.00 35.42 H new ATOM 0 HB3 TYR A 487 -7.458 -12.152 3.024 1.00 35.42 H new ATOM 0 HD1 TYR A 487 -7.764 -9.163 3.017 1.00 42.41 H new ATOM 0 HD2 TYR A 487 -9.753 -12.115 0.657 1.00 63.40 H new ATOM 0 HE1 TYR A 487 -9.707 -7.685 2.784 1.00 31.24 H new ATOM 0 HE2 TYR A 487 -11.696 -10.637 0.450 1.00 72.45 H new ATOM 0 HH TYR A 487 -12.627 -8.703 1.011 1.00 62.31 H new ATOM 1740 N ARG A 488 -4.603 -13.097 1.641 1.00 31.42 N ATOM 1741 CA ARG A 488 -3.658 -14.168 2.024 1.00 41.11 C ATOM 1742 C ARG A 488 -2.198 -13.652 2.089 1.00 31.01 C ATOM 1743 O ARG A 488 -1.484 -13.969 3.034 1.00 42.21 O ATOM 1744 CB ARG A 488 -3.782 -15.355 1.029 1.00 45.04 C ATOM 1745 CG ARG A 488 -2.837 -16.547 1.309 1.00 4.53 C ATOM 1746 CD ARG A 488 -3.098 -17.740 0.368 1.00 41.01 C ATOM 1747 NE ARG A 488 -4.434 -18.322 0.583 1.00 31.11 N ATOM 1748 CZ ARG A 488 -5.109 -19.051 -0.284 1.00 3.52 C ATOM 1749 NH1 ARG A 488 -4.647 -19.305 -1.470 1.00 74.42 N ATOM 1750 NH2 ARG A 488 -6.260 -19.516 0.054 1.00 14.43 N ATOM 0 H ARG A 488 -4.992 -13.215 0.706 1.00 31.42 H new ATOM 0 HA ARG A 488 -3.919 -14.511 3.025 1.00 41.11 H new ATOM 0 HB2 ARG A 488 -4.811 -15.715 1.044 1.00 45.04 H new ATOM 0 HB3 ARG A 488 -3.588 -14.986 0.022 1.00 45.04 H new ATOM 0 HG2 ARG A 488 -1.803 -16.221 1.199 1.00 4.53 H new ATOM 0 HG3 ARG A 488 -2.961 -16.870 2.343 1.00 4.53 H new ATOM 0 HD2 ARG A 488 -3.006 -17.413 -0.668 1.00 41.01 H new ATOM 0 HD3 ARG A 488 -2.338 -18.504 0.530 1.00 41.01 H new ATOM 0 HE ARG A 488 -4.877 -18.145 1.484 1.00 31.11 H new ATOM 0 HH11 ARG A 488 -3.739 -18.937 -1.753 1.00 74.42 H new ATOM 0 HH12 ARG A 488 -5.192 -19.872 -2.119 1.00 74.42 H new ATOM 0 HH21 ARG A 488 -6.637 -19.319 0.981 1.00 14.43 H new ATOM 0 HH22 ARG A 488 -6.795 -20.082 -0.605 1.00 14.43 H new ATOM 1764 N ILE A 489 -1.791 -12.839 1.090 1.00 34.34 N ATOM 1765 CA ILE A 489 -0.417 -12.272 0.999 1.00 61.33 C ATOM 1766 C ILE A 489 -0.070 -11.448 2.259 1.00 64.11 C ATOM 1767 O ILE A 489 0.937 -11.702 2.919 1.00 60.20 O ATOM 1768 CB ILE A 489 -0.262 -11.354 -0.276 1.00 31.25 C ATOM 1769 CG1 ILE A 489 -0.510 -12.159 -1.593 1.00 41.52 C ATOM 1770 CG2 ILE A 489 1.130 -10.668 -0.312 1.00 33.01 C ATOM 1771 CD1 ILE A 489 -0.700 -11.297 -2.837 1.00 33.33 C ATOM 0 H ILE A 489 -2.400 -12.555 0.323 1.00 34.34 H new ATOM 0 HA ILE A 489 0.271 -13.114 0.920 1.00 61.33 H new ATOM 0 HB ILE A 489 -1.023 -10.576 -0.207 1.00 31.25 H new ATOM 0 HG12 ILE A 489 0.333 -12.830 -1.757 1.00 41.52 H new ATOM 0 HG13 ILE A 489 -1.394 -12.783 -1.461 1.00 41.52 H new ATOM 0 HG21 ILE A 489 1.205 -10.043 -1.202 1.00 33.01 H new ATOM 0 HG22 ILE A 489 1.254 -10.050 0.577 1.00 33.01 H new ATOM 0 HG23 ILE A 489 1.910 -11.429 -0.336 1.00 33.01 H new ATOM 0 HD11 ILE A 489 -0.866 -11.939 -3.702 1.00 33.33 H new ATOM 0 HD12 ILE A 489 -1.562 -10.644 -2.699 1.00 33.33 H new ATOM 0 HD13 ILE A 489 0.192 -10.692 -3.000 1.00 33.33 H new ATOM 1783 N MET A 490 -0.940 -10.477 2.596 1.00 52.11 N ATOM 1784 CA MET A 490 -0.755 -9.629 3.795 1.00 52.33 C ATOM 1785 C MET A 490 -0.991 -10.437 5.097 1.00 53.43 C ATOM 1786 O MET A 490 -0.412 -10.129 6.145 1.00 44.23 O ATOM 1787 CB MET A 490 -1.658 -8.374 3.716 1.00 42.12 C ATOM 1788 CG MET A 490 -1.243 -7.415 2.592 1.00 12.45 C ATOM 1789 SD MET A 490 -2.126 -5.844 2.622 1.00 34.52 S ATOM 1790 CE MET A 490 -1.179 -4.922 1.414 1.00 32.04 C ATOM 0 H MET A 490 -1.778 -10.258 2.057 1.00 52.11 H new ATOM 0 HA MET A 490 0.280 -9.288 3.821 1.00 52.33 H new ATOM 0 HB2 MET A 490 -2.691 -8.684 3.560 1.00 42.12 H new ATOM 0 HB3 MET A 490 -1.624 -7.846 4.669 1.00 42.12 H new ATOM 0 HG2 MET A 490 -0.173 -7.222 2.667 1.00 12.45 H new ATOM 0 HG3 MET A 490 -1.413 -7.900 1.631 1.00 12.45 H new ATOM 0 HE1 MET A 490 -1.276 -3.855 1.613 1.00 32.04 H new ATOM 0 HE2 MET A 490 -0.129 -5.209 1.478 1.00 32.04 H new ATOM 0 HE3 MET A 490 -1.554 -5.140 0.414 1.00 32.04 H new ATOM 1800 N GLY A 491 -1.823 -11.500 4.994 1.00 23.13 N ATOM 1801 CA GLY A 491 -2.027 -12.468 6.087 1.00 51.31 C ATOM 1802 C GLY A 491 -0.787 -13.341 6.365 1.00 52.42 C ATOM 1803 O GLY A 491 -0.646 -13.907 7.454 1.00 15.02 O ATOM 0 H GLY A 491 -2.366 -11.706 4.156 1.00 23.13 H new ATOM 0 HA2 GLY A 491 -2.295 -11.929 6.996 1.00 51.31 H new ATOM 0 HA3 GLY A 491 -2.870 -13.114 5.839 1.00 51.31 H new ATOM 1807 N ASN A 492 0.110 -13.455 5.361 1.00 2.14 N ATOM 1808 CA ASN A 492 1.430 -14.135 5.500 1.00 2.22 C ATOM 1809 C ASN A 492 2.497 -13.200 6.154 1.00 45.52 C ATOM 1810 O ASN A 492 3.676 -13.570 6.250 1.00 64.14 O ATOM 1811 CB ASN A 492 1.928 -14.618 4.106 1.00 24.34 C ATOM 1812 CG ASN A 492 1.018 -15.653 3.441 1.00 11.23 C ATOM 1813 OD1 ASN A 492 0.392 -16.472 4.103 1.00 25.15 O ATOM 1814 ND2 ASN A 492 0.923 -15.614 2.123 1.00 51.13 N ATOM 0 H ASN A 492 -0.055 -13.080 4.427 1.00 2.14 H new ATOM 0 HA ASN A 492 1.294 -14.994 6.157 1.00 2.22 H new ATOM 0 HB2 ASN A 492 2.021 -13.755 3.447 1.00 24.34 H new ATOM 0 HB3 ASN A 492 2.925 -15.044 4.216 1.00 24.34 H new ATOM 0 HD21 ASN A 492 0.318 -16.275 1.635 1.00 51.13 H new ATOM 0 HD22 ASN A 492 1.454 -14.923 1.594 1.00 51.13 H new ATOM 1821 N GLY A 493 2.070 -11.999 6.601 1.00 2.52 N ATOM 1822 CA GLY A 493 2.972 -11.013 7.220 1.00 21.13 C ATOM 1823 C GLY A 493 3.660 -10.122 6.183 1.00 54.32 C ATOM 1824 O GLY A 493 4.888 -9.973 6.187 1.00 5.43 O ATOM 0 H GLY A 493 1.099 -11.691 6.542 1.00 2.52 H new ATOM 0 HA2 GLY A 493 2.405 -10.390 7.912 1.00 21.13 H new ATOM 0 HA3 GLY A 493 3.728 -11.534 7.807 1.00 21.13 H new ATOM 1828 N PHE A 494 2.856 -9.534 5.277 1.00 51.55 N ATOM 1829 CA PHE A 494 3.355 -8.656 4.187 1.00 73.51 C ATOM 1830 C PHE A 494 2.656 -7.283 4.186 1.00 4.41 C ATOM 1831 O PHE A 494 1.707 -7.032 4.937 1.00 60.45 O ATOM 1832 CB PHE A 494 3.205 -9.344 2.794 1.00 44.41 C ATOM 1833 CG PHE A 494 4.239 -10.436 2.518 1.00 32.13 C ATOM 1834 CD1 PHE A 494 4.118 -11.705 3.081 1.00 12.31 C ATOM 1835 CD2 PHE A 494 5.346 -10.187 1.706 1.00 63.12 C ATOM 1836 CE1 PHE A 494 5.064 -12.681 2.844 1.00 4.35 C ATOM 1837 CE2 PHE A 494 6.289 -11.165 1.468 1.00 11.44 C ATOM 1838 CZ PHE A 494 6.147 -12.412 2.038 1.00 53.24 C ATOM 0 H PHE A 494 1.843 -9.650 5.275 1.00 51.55 H new ATOM 0 HA PHE A 494 4.415 -8.488 4.378 1.00 73.51 H new ATOM 0 HB2 PHE A 494 2.208 -9.777 2.721 1.00 44.41 H new ATOM 0 HB3 PHE A 494 3.280 -8.584 2.016 1.00 44.41 H new ATOM 0 HD1 PHE A 494 3.271 -11.928 3.713 1.00 12.31 H new ATOM 0 HD2 PHE A 494 5.466 -9.212 1.256 1.00 63.12 H new ATOM 0 HE1 PHE A 494 4.955 -13.658 3.292 1.00 4.35 H new ATOM 0 HE2 PHE A 494 7.138 -10.954 0.835 1.00 11.44 H new ATOM 0 HZ PHE A 494 6.885 -13.178 1.852 1.00 53.24 H new ATOM 1848 N ALA A 495 3.148 -6.418 3.291 1.00 1.44 N ATOM 1849 CA ALA A 495 2.755 -5.008 3.182 1.00 2.22 C ATOM 1850 C ALA A 495 2.890 -4.540 1.711 1.00 25.13 C ATOM 1851 O ALA A 495 3.578 -5.191 0.904 1.00 54.21 O ATOM 1852 CB ALA A 495 3.636 -4.182 4.119 1.00 63.12 C ATOM 0 H ALA A 495 3.851 -6.688 2.603 1.00 1.44 H new ATOM 0 HA ALA A 495 1.713 -4.876 3.475 1.00 2.22 H new ATOM 0 HB1 ALA A 495 3.356 -3.131 4.049 1.00 63.12 H new ATOM 0 HB2 ALA A 495 3.500 -4.527 5.144 1.00 63.12 H new ATOM 0 HB3 ALA A 495 4.681 -4.299 3.833 1.00 63.12 H new ATOM 1858 N GLY A 496 2.256 -3.406 1.366 1.00 51.52 N ATOM 1859 CA GLY A 496 2.164 -2.951 -0.035 1.00 62.43 C ATOM 1860 C GLY A 496 2.699 -1.535 -0.282 1.00 33.40 C ATOM 1861 O GLY A 496 2.045 -0.554 0.055 1.00 53.12 O ATOM 0 H GLY A 496 1.800 -2.787 2.036 1.00 51.52 H new ATOM 0 HA2 GLY A 496 2.714 -3.649 -0.667 1.00 62.43 H new ATOM 0 HA3 GLY A 496 1.121 -2.991 -0.349 1.00 62.43 H new ATOM 1865 N CYS A 497 3.889 -1.428 -0.898 1.00 33.31 N ATOM 1866 CA CYS A 497 4.469 -0.121 -1.316 1.00 60.20 C ATOM 1867 C CYS A 497 3.818 0.392 -2.624 1.00 24.23 C ATOM 1868 O CYS A 497 4.172 -0.055 -3.718 1.00 62.45 O ATOM 1869 CB CYS A 497 6.008 -0.237 -1.469 1.00 44.14 C ATOM 1870 SG CYS A 497 6.903 -0.145 0.090 1.00 41.01 S ATOM 0 H CYS A 497 4.478 -2.230 -1.122 1.00 33.31 H new ATOM 0 HA CYS A 497 4.254 0.610 -0.536 1.00 60.20 H new ATOM 0 HB2 CYS A 497 6.245 -1.182 -1.958 1.00 44.14 H new ATOM 0 HB3 CYS A 497 6.359 0.558 -2.126 1.00 44.14 H new ATOM 0 HG CYS A 497 6.960 1.092 0.485 1.00 41.01 H new ATOM 1876 N VAL A 498 2.845 1.315 -2.489 1.00 3.45 N ATOM 1877 CA VAL A 498 2.132 1.925 -3.636 1.00 32.04 C ATOM 1878 C VAL A 498 2.907 3.157 -4.168 1.00 30.44 C ATOM 1879 O VAL A 498 3.088 4.139 -3.448 1.00 4.25 O ATOM 1880 CB VAL A 498 0.672 2.355 -3.229 1.00 63.03 C ATOM 1881 CG1 VAL A 498 -0.091 3.014 -4.411 1.00 45.13 C ATOM 1882 CG2 VAL A 498 -0.125 1.160 -2.644 1.00 2.41 C ATOM 0 H VAL A 498 2.529 1.661 -1.583 1.00 3.45 H new ATOM 0 HA VAL A 498 2.070 1.174 -4.424 1.00 32.04 H new ATOM 0 HB VAL A 498 0.767 3.109 -2.447 1.00 63.03 H new ATOM 0 HG11 VAL A 498 -1.093 3.295 -4.086 1.00 45.13 H new ATOM 0 HG12 VAL A 498 0.446 3.903 -4.740 1.00 45.13 H new ATOM 0 HG13 VAL A 498 -0.163 2.307 -5.237 1.00 45.13 H new ATOM 0 HG21 VAL A 498 -1.128 1.489 -2.373 1.00 2.41 H new ATOM 0 HG22 VAL A 498 -0.192 0.368 -3.390 1.00 2.41 H new ATOM 0 HG23 VAL A 498 0.385 0.782 -1.758 1.00 2.41 H new ATOM 1892 N HIS A 499 3.354 3.092 -5.436 1.00 33.10 N ATOM 1893 CA HIS A 499 4.131 4.176 -6.088 1.00 4.44 C ATOM 1894 C HIS A 499 3.302 4.900 -7.183 1.00 11.24 C ATOM 1895 O HIS A 499 2.494 4.286 -7.894 1.00 63.13 O ATOM 1896 CB HIS A 499 5.441 3.613 -6.698 1.00 34.41 C ATOM 1897 CG HIS A 499 6.374 2.988 -5.684 1.00 70.03 C ATOM 1898 ND1 HIS A 499 7.336 3.733 -5.034 1.00 31.14 N ATOM 1899 CD2 HIS A 499 6.446 1.705 -5.243 1.00 41.21 C ATOM 1900 CE1 HIS A 499 7.958 2.898 -4.224 1.00 64.11 C ATOM 1901 NE2 HIS A 499 7.457 1.660 -4.315 1.00 72.24 N ATOM 0 H HIS A 499 3.189 2.288 -6.042 1.00 33.10 H new ATOM 0 HA HIS A 499 4.379 4.907 -5.319 1.00 4.44 H new ATOM 0 HB2 HIS A 499 5.187 2.867 -7.451 1.00 34.41 H new ATOM 0 HB3 HIS A 499 5.966 4.419 -7.211 1.00 34.41 H new ATOM 0 HD2 HIS A 499 5.827 0.879 -5.561 1.00 41.21 H new ATOM 0 HE1 HIS A 499 8.770 3.178 -3.569 1.00 64.11 H new ATOM 0 HE2 HIS A 499 7.767 0.840 -3.794 1.00 72.24 H new ATOM 1909 N PHE A 500 3.532 6.218 -7.295 1.00 2.33 N ATOM 1910 CA PHE A 500 2.915 7.105 -8.305 1.00 62.11 C ATOM 1911 C PHE A 500 3.974 7.458 -9.385 1.00 71.03 C ATOM 1912 O PHE A 500 5.095 7.829 -9.018 1.00 23.41 O ATOM 1913 CB PHE A 500 2.411 8.415 -7.635 1.00 74.52 C ATOM 1914 CG PHE A 500 1.245 8.256 -6.647 1.00 45.22 C ATOM 1915 CD1 PHE A 500 1.369 7.477 -5.492 1.00 24.15 C ATOM 1916 CD2 PHE A 500 0.029 8.902 -6.870 1.00 12.02 C ATOM 1917 CE1 PHE A 500 0.319 7.348 -4.603 1.00 5.35 C ATOM 1918 CE2 PHE A 500 -1.019 8.771 -5.980 1.00 14.31 C ATOM 1919 CZ PHE A 500 -0.875 7.994 -4.849 1.00 31.31 C ATOM 0 H PHE A 500 4.169 6.713 -6.671 1.00 2.33 H new ATOM 0 HA PHE A 500 2.069 6.592 -8.762 1.00 62.11 H new ATOM 0 HB2 PHE A 500 3.247 8.877 -7.110 1.00 74.52 H new ATOM 0 HB3 PHE A 500 2.106 9.108 -8.419 1.00 74.52 H new ATOM 0 HD1 PHE A 500 2.300 6.968 -5.292 1.00 24.15 H new ATOM 0 HD2 PHE A 500 -0.095 9.514 -7.752 1.00 12.02 H new ATOM 0 HE1 PHE A 500 0.433 6.742 -3.716 1.00 5.35 H new ATOM 0 HE2 PHE A 500 -1.954 9.278 -6.170 1.00 14.31 H new ATOM 0 HZ PHE A 500 -1.697 7.891 -4.156 1.00 31.31 H new ATOM 1929 N PRO A 501 3.646 7.360 -10.718 1.00 2.51 N ATOM 1930 CA PRO A 501 4.616 7.655 -11.817 1.00 61.33 C ATOM 1931 C PRO A 501 5.128 9.131 -11.841 1.00 61.23 C ATOM 1932 O PRO A 501 4.528 9.992 -12.492 1.00 3.24 O ATOM 1933 CB PRO A 501 3.820 7.296 -13.113 1.00 53.30 C ATOM 1934 CG PRO A 501 2.689 6.423 -12.643 1.00 75.13 C ATOM 1935 CD PRO A 501 2.331 6.928 -11.266 1.00 43.33 C ATOM 0 HA PRO A 501 5.535 7.082 -11.696 1.00 61.33 H new ATOM 0 HB2 PRO A 501 3.447 8.192 -13.609 1.00 53.30 H new ATOM 0 HB3 PRO A 501 4.451 6.773 -13.832 1.00 53.30 H new ATOM 0 HG2 PRO A 501 1.836 6.489 -13.319 1.00 75.13 H new ATOM 0 HG3 PRO A 501 2.990 5.376 -12.610 1.00 75.13 H new ATOM 0 HD2 PRO A 501 1.621 7.754 -11.311 1.00 43.33 H new ATOM 0 HD3 PRO A 501 1.875 6.148 -10.656 1.00 43.33 H new ATOM 2024 N VAL A 508 2.656 13.827 -2.887 1.00 23.02 N ATOM 2025 CA VAL A 508 2.215 12.408 -2.947 1.00 42.13 C ATOM 2026 C VAL A 508 2.788 11.670 -4.193 1.00 43.44 C ATOM 2027 O VAL A 508 2.261 11.789 -5.307 1.00 42.00 O ATOM 2028 CB VAL A 508 0.643 12.252 -2.944 1.00 41.22 C ATOM 2029 CG1 VAL A 508 0.243 10.756 -2.854 1.00 10.20 C ATOM 2030 CG2 VAL A 508 -0.023 13.065 -1.809 1.00 1.12 C ATOM 0 HA VAL A 508 2.611 11.951 -2.040 1.00 42.13 H new ATOM 0 HB VAL A 508 0.277 12.658 -3.887 1.00 41.22 H new ATOM 0 HG11 VAL A 508 -0.844 10.669 -2.853 1.00 10.20 H new ATOM 0 HG12 VAL A 508 0.649 10.219 -3.711 1.00 10.20 H new ATOM 0 HG13 VAL A 508 0.642 10.327 -1.935 1.00 10.20 H new ATOM 0 HG21 VAL A 508 -1.103 12.926 -1.848 1.00 1.12 H new ATOM 0 HG22 VAL A 508 0.353 12.720 -0.846 1.00 1.12 H new ATOM 0 HG23 VAL A 508 0.212 14.122 -1.933 1.00 1.12 H new ATOM 2040 N ARG A 509 3.908 10.952 -3.988 1.00 31.24 N ATOM 2041 CA ARG A 509 4.507 10.050 -5.005 1.00 25.45 C ATOM 2042 C ARG A 509 4.614 8.591 -4.463 1.00 64.42 C ATOM 2043 O ARG A 509 4.957 7.659 -5.199 1.00 71.40 O ATOM 2044 CB ARG A 509 5.895 10.597 -5.450 1.00 54.30 C ATOM 2045 CG ARG A 509 6.532 9.842 -6.643 1.00 12.20 C ATOM 2046 CD ARG A 509 7.916 10.370 -7.029 1.00 13.45 C ATOM 2047 NE ARG A 509 8.543 9.555 -8.090 1.00 12.10 N ATOM 2048 CZ ARG A 509 9.731 9.762 -8.622 1.00 75.23 C ATOM 2049 NH1 ARG A 509 10.463 10.777 -8.276 1.00 40.30 N ATOM 2050 NH2 ARG A 509 10.182 8.937 -9.508 1.00 3.14 N ATOM 0 H ARG A 509 4.429 10.977 -3.111 1.00 31.24 H new ATOM 0 HA ARG A 509 3.855 10.023 -5.878 1.00 25.45 H new ATOM 0 HB2 ARG A 509 5.788 11.648 -5.717 1.00 54.30 H new ATOM 0 HB3 ARG A 509 6.578 10.552 -4.602 1.00 54.30 H new ATOM 0 HG2 ARG A 509 6.612 8.784 -6.393 1.00 12.20 H new ATOM 0 HG3 ARG A 509 5.870 9.916 -7.505 1.00 12.20 H new ATOM 0 HD2 ARG A 509 7.829 11.402 -7.369 1.00 13.45 H new ATOM 0 HD3 ARG A 509 8.560 10.377 -6.149 1.00 13.45 H new ATOM 0 HE ARG A 509 8.009 8.761 -8.442 1.00 12.10 H new ATOM 0 HH11 ARG A 509 10.122 11.437 -7.577 1.00 40.30 H new ATOM 0 HH12 ARG A 509 11.379 10.914 -8.703 1.00 40.30 H new ATOM 0 HH21 ARG A 509 9.620 8.134 -9.790 1.00 3.14 H new ATOM 0 HH22 ARG A 509 11.100 9.089 -9.925 1.00 3.14 H new ATOM 2064 N VAL A 510 4.298 8.395 -3.171 1.00 72.42 N ATOM 2065 CA VAL A 510 4.298 7.059 -2.530 1.00 32.12 C ATOM 2066 C VAL A 510 3.362 7.044 -1.290 1.00 75.34 C ATOM 2067 O VAL A 510 3.118 8.092 -0.676 1.00 23.14 O ATOM 2068 CB VAL A 510 5.762 6.610 -2.132 1.00 60.24 C ATOM 2069 CG1 VAL A 510 6.367 7.537 -1.049 1.00 4.43 C ATOM 2070 CG2 VAL A 510 5.826 5.112 -1.708 1.00 43.41 C ATOM 0 H VAL A 510 4.036 9.152 -2.540 1.00 72.42 H new ATOM 0 HA VAL A 510 3.917 6.342 -3.257 1.00 32.12 H new ATOM 0 HB VAL A 510 6.376 6.708 -3.027 1.00 60.24 H new ATOM 0 HG11 VAL A 510 7.373 7.198 -0.801 1.00 4.43 H new ATOM 0 HG12 VAL A 510 6.411 8.558 -1.428 1.00 4.43 H new ATOM 0 HG13 VAL A 510 5.743 7.508 -0.156 1.00 4.43 H new ATOM 0 HG21 VAL A 510 6.851 4.852 -1.444 1.00 43.41 H new ATOM 0 HG22 VAL A 510 5.177 4.950 -0.847 1.00 43.41 H new ATOM 0 HG23 VAL A 510 5.494 4.485 -2.536 1.00 43.41 H new ATOM 2080 N LEU A 511 2.817 5.854 -0.964 1.00 52.33 N ATOM 2081 CA LEU A 511 2.077 5.601 0.291 1.00 70.24 C ATOM 2082 C LEU A 511 2.236 4.125 0.715 1.00 41.11 C ATOM 2083 O LEU A 511 2.643 3.271 -0.090 1.00 75.42 O ATOM 2084 CB LEU A 511 0.578 6.024 0.142 1.00 50.32 C ATOM 2085 CG LEU A 511 -0.327 5.214 -0.859 1.00 74.14 C ATOM 2086 CD1 LEU A 511 -0.971 3.969 -0.198 1.00 43.51 C ATOM 2087 CD2 LEU A 511 -1.413 6.111 -1.503 1.00 61.23 C ATOM 0 H LEU A 511 2.878 5.035 -1.569 1.00 52.33 H new ATOM 0 HA LEU A 511 2.499 6.214 1.088 1.00 70.24 H new ATOM 0 HB2 LEU A 511 0.117 5.968 1.128 1.00 50.32 H new ATOM 0 HB3 LEU A 511 0.556 7.071 -0.161 1.00 50.32 H new ATOM 0 HG LEU A 511 0.335 4.859 -1.649 1.00 74.14 H new ATOM 0 HD11 LEU A 511 -1.585 3.445 -0.930 1.00 43.51 H new ATOM 0 HD12 LEU A 511 -0.188 3.302 0.162 1.00 43.51 H new ATOM 0 HD13 LEU A 511 -1.594 4.283 0.640 1.00 43.51 H new ATOM 0 HD21 LEU A 511 -2.017 5.516 -2.188 1.00 61.23 H new ATOM 0 HD22 LEU A 511 -2.051 6.527 -0.723 1.00 61.23 H new ATOM 0 HD23 LEU A 511 -0.936 6.923 -2.052 1.00 61.23 H new ATOM 2099 N MET A 512 1.890 3.817 1.980 1.00 72.21 N ATOM 2100 CA MET A 512 2.058 2.464 2.550 1.00 64.21 C ATOM 2101 C MET A 512 0.681 1.796 2.779 1.00 73.02 C ATOM 2102 O MET A 512 -0.066 2.182 3.684 1.00 5.21 O ATOM 2103 CB MET A 512 2.890 2.517 3.876 1.00 1.11 C ATOM 2104 CG MET A 512 3.978 1.438 3.942 1.00 0.43 C ATOM 2105 SD MET A 512 3.323 -0.209 3.596 1.00 4.25 S ATOM 2106 CE MET A 512 4.743 -1.005 2.851 1.00 53.43 C ATOM 0 H MET A 512 1.489 4.492 2.632 1.00 72.21 H new ATOM 0 HA MET A 512 2.613 1.856 1.835 1.00 64.21 H new ATOM 0 HB2 MET A 512 3.353 3.499 3.969 1.00 1.11 H new ATOM 0 HB3 MET A 512 2.217 2.400 4.726 1.00 1.11 H new ATOM 0 HG2 MET A 512 4.765 1.673 3.225 1.00 0.43 H new ATOM 0 HG3 MET A 512 4.436 1.445 4.931 1.00 0.43 H new ATOM 0 HE1 MET A 512 4.522 -1.244 1.811 1.00 53.43 H new ATOM 0 HE2 MET A 512 5.601 -0.334 2.895 1.00 53.43 H new ATOM 0 HE3 MET A 512 4.972 -1.922 3.393 1.00 53.43 H new ATOM 2116 N LEU A 513 0.367 0.799 1.943 1.00 51.51 N ATOM 2117 CA LEU A 513 -0.875 0.017 2.034 1.00 32.22 C ATOM 2118 C LEU A 513 -0.735 -1.093 3.104 1.00 14.22 C ATOM 2119 O LEU A 513 0.095 -1.999 2.970 1.00 35.01 O ATOM 2120 CB LEU A 513 -1.210 -0.616 0.660 1.00 13.10 C ATOM 2121 CG LEU A 513 -2.596 -1.327 0.567 1.00 42.30 C ATOM 2122 CD1 LEU A 513 -3.747 -0.310 0.664 1.00 72.52 C ATOM 2123 CD2 LEU A 513 -2.709 -2.189 -0.705 1.00 23.21 C ATOM 0 H LEU A 513 0.973 0.508 1.176 1.00 51.51 H new ATOM 0 HA LEU A 513 -1.685 0.686 2.324 1.00 32.22 H new ATOM 0 HB2 LEU A 513 -1.170 0.165 -0.099 1.00 13.10 H new ATOM 0 HB3 LEU A 513 -0.433 -1.340 0.414 1.00 13.10 H new ATOM 0 HG LEU A 513 -2.677 -2.002 1.419 1.00 42.30 H new ATOM 0 HD11 LEU A 513 -4.701 -0.833 0.596 1.00 72.52 H new ATOM 0 HD12 LEU A 513 -3.688 0.216 1.617 1.00 72.52 H new ATOM 0 HD13 LEU A 513 -3.668 0.408 -0.152 1.00 72.52 H new ATOM 0 HD21 LEU A 513 -3.688 -2.668 -0.734 1.00 23.21 H new ATOM 0 HD22 LEU A 513 -2.588 -1.557 -1.585 1.00 23.21 H new ATOM 0 HD23 LEU A 513 -1.931 -2.953 -0.697 1.00 23.21 H new ATOM 2135 N LEU A 514 -1.560 -1.012 4.160 1.00 5.41 N ATOM 2136 CA LEU A 514 -1.493 -1.911 5.332 1.00 74.44 C ATOM 2137 C LEU A 514 -2.888 -2.455 5.698 1.00 51.33 C ATOM 2138 O LEU A 514 -3.769 -1.697 6.117 1.00 65.31 O ATOM 2139 CB LEU A 514 -0.869 -1.143 6.534 1.00 61.24 C ATOM 2140 CG LEU A 514 0.664 -0.868 6.417 1.00 44.14 C ATOM 2141 CD1 LEU A 514 1.178 0.025 7.563 1.00 12.20 C ATOM 2142 CD2 LEU A 514 1.452 -2.194 6.346 1.00 73.14 C ATOM 0 H LEU A 514 -2.301 -0.315 4.229 1.00 5.41 H new ATOM 0 HA LEU A 514 -0.865 -2.767 5.084 1.00 74.44 H new ATOM 0 HB2 LEU A 514 -1.386 -0.190 6.645 1.00 61.24 H new ATOM 0 HB3 LEU A 514 -1.052 -1.713 7.445 1.00 61.24 H new ATOM 0 HG LEU A 514 0.829 -0.321 5.489 1.00 44.14 H new ATOM 0 HD11 LEU A 514 2.249 0.191 7.443 1.00 12.20 H new ATOM 0 HD12 LEU A 514 0.657 0.982 7.540 1.00 12.20 H new ATOM 0 HD13 LEU A 514 0.992 -0.466 8.518 1.00 12.20 H new ATOM 0 HD21 LEU A 514 2.518 -1.980 6.265 1.00 73.14 H new ATOM 0 HD22 LEU A 514 1.267 -2.776 7.249 1.00 73.14 H new ATOM 0 HD23 LEU A 514 1.129 -2.763 5.474 1.00 73.14 H new ATOM 2154 N TYR A 515 -3.077 -3.774 5.541 1.00 75.53 N ATOM 2155 CA TYR A 515 -4.345 -4.448 5.871 1.00 64.52 C ATOM 2156 C TYR A 515 -4.553 -4.526 7.410 1.00 31.32 C ATOM 2157 O TYR A 515 -3.723 -5.082 8.132 1.00 60.34 O ATOM 2158 CB TYR A 515 -4.373 -5.865 5.234 1.00 53.33 C ATOM 2159 CG TYR A 515 -5.707 -6.617 5.392 1.00 74.44 C ATOM 2160 CD1 TYR A 515 -6.927 -5.944 5.275 1.00 53.14 C ATOM 2161 CD2 TYR A 515 -5.745 -7.992 5.647 1.00 1.20 C ATOM 2162 CE1 TYR A 515 -8.122 -6.609 5.412 1.00 3.31 C ATOM 2163 CE2 TYR A 515 -6.948 -8.660 5.783 1.00 71.21 C ATOM 2164 CZ TYR A 515 -8.133 -7.961 5.666 1.00 32.12 C ATOM 2165 OH TYR A 515 -9.338 -8.622 5.806 1.00 25.44 O ATOM 0 H TYR A 515 -2.358 -4.403 5.183 1.00 75.53 H new ATOM 0 HA TYR A 515 -5.167 -3.863 5.458 1.00 64.52 H new ATOM 0 HB2 TYR A 515 -4.146 -5.775 4.172 1.00 53.33 H new ATOM 0 HB3 TYR A 515 -3.579 -6.464 5.680 1.00 53.33 H new ATOM 0 HD1 TYR A 515 -6.930 -4.883 5.073 1.00 53.14 H new ATOM 0 HD2 TYR A 515 -4.819 -8.541 5.739 1.00 1.20 H new ATOM 0 HE1 TYR A 515 -9.053 -6.070 5.320 1.00 3.31 H new ATOM 0 HE2 TYR A 515 -6.961 -9.722 5.980 1.00 71.21 H new ATOM 0 HH TYR A 515 -9.725 -8.788 4.921 1.00 25.44 H new ATOM 2175 N SER A 516 -5.682 -3.963 7.884 1.00 42.51 N ATOM 2176 CA SER A 516 -6.049 -3.907 9.325 1.00 42.42 C ATOM 2177 C SER A 516 -6.449 -5.278 9.920 1.00 34.43 C ATOM 2178 O SER A 516 -6.541 -5.405 11.138 1.00 62.33 O ATOM 2179 CB SER A 516 -7.219 -2.924 9.503 1.00 4.41 C ATOM 2180 OG SER A 516 -6.932 -1.684 8.894 1.00 43.02 O ATOM 0 H SER A 516 -6.376 -3.528 7.276 1.00 42.51 H new ATOM 0 HA SER A 516 -5.160 -3.579 9.864 1.00 42.42 H new ATOM 0 HB2 SER A 516 -8.124 -3.347 9.067 1.00 4.41 H new ATOM 0 HB3 SER A 516 -7.416 -2.775 10.565 1.00 4.41 H new ATOM 0 HG SER A 516 -6.998 -1.775 7.920 1.00 43.02 H new ATOM 2186 N SER A 517 -6.717 -6.263 9.032 1.00 20.13 N ATOM 2187 CA SER A 517 -7.119 -7.658 9.368 1.00 70.44 C ATOM 2188 C SER A 517 -8.505 -7.749 10.070 1.00 24.34 C ATOM 2189 O SER A 517 -9.444 -8.298 9.494 1.00 13.14 O ATOM 2190 CB SER A 517 -6.023 -8.441 10.164 1.00 41.22 C ATOM 2191 OG SER A 517 -5.830 -7.949 11.485 1.00 41.40 O ATOM 0 H SER A 517 -6.659 -6.108 8.026 1.00 20.13 H new ATOM 0 HA SER A 517 -7.224 -8.154 8.403 1.00 70.44 H new ATOM 0 HB2 SER A 517 -6.301 -9.494 10.212 1.00 41.22 H new ATOM 0 HB3 SER A 517 -5.079 -8.385 9.621 1.00 41.22 H new ATOM 0 HG SER A 517 -5.789 -6.970 11.467 1.00 41.40 H new ATOM 2197 N LYS A 518 -8.625 -7.221 11.308 1.00 54.04 N ATOM 2198 CA LYS A 518 -9.891 -7.246 12.088 1.00 64.43 C ATOM 2199 C LYS A 518 -10.951 -6.248 11.543 1.00 4.44 C ATOM 2200 O LYS A 518 -12.134 -6.592 11.447 1.00 31.21 O ATOM 2201 CB LYS A 518 -9.595 -6.978 13.585 1.00 71.43 C ATOM 2202 CG LYS A 518 -10.835 -6.992 14.515 1.00 75.43 C ATOM 2203 CD LYS A 518 -10.464 -6.887 16.012 1.00 14.20 C ATOM 2204 CE LYS A 518 -9.678 -5.608 16.361 1.00 2.40 C ATOM 2205 NZ LYS A 518 -9.267 -5.583 17.787 1.00 12.45 N ATOM 0 H LYS A 518 -7.853 -6.767 11.796 1.00 54.04 H new ATOM 0 HA LYS A 518 -10.322 -8.241 11.979 1.00 64.43 H new ATOM 0 HB2 LYS A 518 -8.887 -7.727 13.939 1.00 71.43 H new ATOM 0 HB3 LYS A 518 -9.105 -6.009 13.674 1.00 71.43 H new ATOM 0 HG2 LYS A 518 -11.492 -6.164 14.249 1.00 75.43 H new ATOM 0 HG3 LYS A 518 -11.398 -7.911 14.349 1.00 75.43 H new ATOM 0 HD2 LYS A 518 -11.376 -6.917 16.608 1.00 14.20 H new ATOM 0 HD3 LYS A 518 -9.871 -7.757 16.293 1.00 14.20 H new ATOM 0 HE2 LYS A 518 -8.794 -5.541 15.727 1.00 2.40 H new ATOM 0 HE3 LYS A 518 -10.292 -4.734 16.145 1.00 2.40 H new ATOM 0 HZ1 LYS A 518 -8.741 -4.707 17.981 1.00 12.45 H new ATOM 0 HZ2 LYS A 518 -10.112 -5.621 18.392 1.00 12.45 H new ATOM 0 HZ3 LYS A 518 -8.660 -6.403 17.988 1.00 12.45 H new ATOM 2219 N LYS A 519 -10.528 -5.014 11.190 1.00 62.32 N ATOM 2220 CA LYS A 519 -11.438 -4.004 10.568 1.00 22.01 C ATOM 2221 C LYS A 519 -11.849 -4.378 9.113 1.00 44.44 C ATOM 2222 O LYS A 519 -12.831 -3.839 8.593 1.00 64.31 O ATOM 2223 CB LYS A 519 -10.788 -2.591 10.552 1.00 52.31 C ATOM 2224 CG LYS A 519 -10.627 -1.906 11.931 1.00 41.13 C ATOM 2225 CD LYS A 519 -10.019 -0.483 11.802 1.00 51.32 C ATOM 2226 CE LYS A 519 -9.989 0.296 13.131 1.00 51.24 C ATOM 2227 NZ LYS A 519 -9.136 -0.354 14.159 1.00 73.31 N ATOM 0 H LYS A 519 -9.571 -4.687 11.321 1.00 62.32 H new ATOM 0 HA LYS A 519 -12.334 -3.995 11.189 1.00 22.01 H new ATOM 0 HB2 LYS A 519 -9.804 -2.670 10.090 1.00 52.31 H new ATOM 0 HB3 LYS A 519 -11.389 -1.943 9.914 1.00 52.31 H new ATOM 0 HG2 LYS A 519 -11.599 -1.843 12.421 1.00 41.13 H new ATOM 0 HG3 LYS A 519 -9.988 -2.518 12.568 1.00 41.13 H new ATOM 0 HD2 LYS A 519 -9.003 -0.564 11.415 1.00 51.32 H new ATOM 0 HD3 LYS A 519 -10.594 0.084 11.071 1.00 51.32 H new ATOM 0 HE2 LYS A 519 -9.623 1.306 12.947 1.00 51.24 H new ATOM 0 HE3 LYS A 519 -11.005 0.390 13.515 1.00 51.24 H new ATOM 0 HZ1 LYS A 519 -9.152 0.212 15.032 1.00 73.31 H new ATOM 0 HZ2 LYS A 519 -9.498 -1.308 14.358 1.00 73.31 H new ATOM 0 HZ3 LYS A 519 -8.159 -0.421 13.808 1.00 73.31 H new ATOM 2241 N LYS A 520 -11.060 -5.274 8.470 1.00 22.14 N ATOM 2242 CA LYS A 520 -11.224 -5.674 7.038 1.00 41.13 C ATOM 2243 C LYS A 520 -10.934 -4.516 6.030 1.00 73.02 C ATOM 2244 O LYS A 520 -11.121 -4.692 4.821 1.00 72.04 O ATOM 2245 CB LYS A 520 -12.621 -6.341 6.743 1.00 32.11 C ATOM 2246 CG LYS A 520 -12.721 -7.852 7.072 1.00 22.21 C ATOM 2247 CD LYS A 520 -12.499 -8.172 8.566 1.00 44.12 C ATOM 2248 CE LYS A 520 -12.545 -9.676 8.868 1.00 53.43 C ATOM 2249 NZ LYS A 520 -12.261 -9.967 10.297 1.00 15.41 N ATOM 0 H LYS A 520 -10.282 -5.748 8.930 1.00 22.14 H new ATOM 0 HA LYS A 520 -10.458 -6.432 6.876 1.00 41.13 H new ATOM 0 HB2 LYS A 520 -13.385 -5.811 7.313 1.00 32.11 H new ATOM 0 HB3 LYS A 520 -12.856 -6.200 5.688 1.00 32.11 H new ATOM 0 HG2 LYS A 520 -13.703 -8.217 6.772 1.00 22.21 H new ATOM 0 HG3 LYS A 520 -11.985 -8.395 6.479 1.00 22.21 H new ATOM 0 HD2 LYS A 520 -11.534 -7.773 8.878 1.00 44.12 H new ATOM 0 HD3 LYS A 520 -13.260 -7.664 9.158 1.00 44.12 H new ATOM 0 HE2 LYS A 520 -13.528 -10.068 8.607 1.00 53.43 H new ATOM 0 HE3 LYS A 520 -11.819 -10.194 8.242 1.00 53.43 H new ATOM 0 HZ1 LYS A 520 -12.302 -10.994 10.457 1.00 15.41 H new ATOM 0 HZ2 LYS A 520 -11.313 -9.616 10.541 1.00 15.41 H new ATOM 0 HZ3 LYS A 520 -12.969 -9.495 10.895 1.00 15.41 H new ATOM 2263 N ILE A 521 -10.439 -3.358 6.518 1.00 21.24 N ATOM 2264 CA ILE A 521 -10.077 -2.213 5.643 1.00 22.23 C ATOM 2265 C ILE A 521 -8.560 -2.237 5.322 1.00 32.34 C ATOM 2266 O ILE A 521 -7.748 -2.683 6.144 1.00 42.13 O ATOM 2267 CB ILE A 521 -10.480 -0.816 6.278 1.00 11.21 C ATOM 2268 CG1 ILE A 521 -9.551 -0.415 7.470 1.00 72.14 C ATOM 2269 CG2 ILE A 521 -11.961 -0.835 6.734 1.00 21.52 C ATOM 2270 CD1 ILE A 521 -9.779 0.983 8.030 1.00 41.22 C ATOM 0 H ILE A 521 -10.280 -3.188 7.511 1.00 21.24 H new ATOM 0 HA ILE A 521 -10.645 -2.325 4.719 1.00 22.23 H new ATOM 0 HB ILE A 521 -10.353 -0.063 5.501 1.00 11.21 H new ATOM 0 HG12 ILE A 521 -9.687 -1.138 8.275 1.00 72.14 H new ATOM 0 HG13 ILE A 521 -8.514 -0.493 7.143 1.00 72.14 H new ATOM 0 HG21 ILE A 521 -12.221 0.131 7.167 1.00 21.52 H new ATOM 0 HG22 ILE A 521 -12.603 -1.032 5.876 1.00 21.52 H new ATOM 0 HG23 ILE A 521 -12.102 -1.617 7.480 1.00 21.52 H new ATOM 0 HD11 ILE A 521 -9.086 1.163 8.852 1.00 41.22 H new ATOM 0 HD12 ILE A 521 -9.612 1.721 7.245 1.00 41.22 H new ATOM 0 HD13 ILE A 521 -10.803 1.067 8.394 1.00 41.22 H new ATOM 2282 N PHE A 522 -8.192 -1.785 4.117 1.00 22.34 N ATOM 2283 CA PHE A 522 -6.781 -1.609 3.714 1.00 25.43 C ATOM 2284 C PHE A 522 -6.381 -0.126 3.889 1.00 71.42 C ATOM 2285 O PHE A 522 -6.800 0.727 3.116 1.00 1.21 O ATOM 2286 CB PHE A 522 -6.580 -2.064 2.244 1.00 42.42 C ATOM 2287 CG PHE A 522 -6.709 -3.571 2.015 1.00 13.41 C ATOM 2288 CD1 PHE A 522 -7.960 -4.191 1.980 1.00 3.15 C ATOM 2289 CD2 PHE A 522 -5.577 -4.366 1.816 1.00 33.51 C ATOM 2290 CE1 PHE A 522 -8.072 -5.548 1.753 1.00 10.55 C ATOM 2291 CE2 PHE A 522 -5.692 -5.724 1.588 1.00 21.31 C ATOM 2292 CZ PHE A 522 -6.938 -6.316 1.556 1.00 23.43 C ATOM 0 H PHE A 522 -8.860 -1.529 3.390 1.00 22.34 H new ATOM 0 HA PHE A 522 -6.143 -2.226 4.347 1.00 25.43 H new ATOM 0 HB2 PHE A 522 -7.310 -1.552 1.617 1.00 42.42 H new ATOM 0 HB3 PHE A 522 -5.593 -1.743 1.911 1.00 42.42 H new ATOM 0 HD1 PHE A 522 -8.852 -3.601 2.133 1.00 3.15 H new ATOM 0 HD2 PHE A 522 -4.597 -3.912 1.841 1.00 33.51 H new ATOM 0 HE1 PHE A 522 -9.047 -6.011 1.729 1.00 10.55 H new ATOM 0 HE2 PHE A 522 -4.806 -6.322 1.435 1.00 21.31 H new ATOM 0 HZ PHE A 522 -7.028 -7.377 1.377 1.00 23.43 H new ATOM 2302 N MET A 523 -5.584 0.169 4.922 1.00 30.02 N ATOM 2303 CA MET A 523 -5.153 1.556 5.239 1.00 41.35 C ATOM 2304 C MET A 523 -4.067 2.054 4.257 1.00 45.12 C ATOM 2305 O MET A 523 -3.380 1.260 3.625 1.00 52.12 O ATOM 2306 CB MET A 523 -4.632 1.645 6.702 1.00 2.43 C ATOM 2307 CG MET A 523 -5.646 1.189 7.757 1.00 12.00 C ATOM 2308 SD MET A 523 -5.091 1.502 9.449 1.00 30.21 S ATOM 2309 CE MET A 523 -6.539 1.013 10.392 1.00 4.04 C ATOM 0 H MET A 523 -5.216 -0.533 5.564 1.00 30.02 H new ATOM 0 HA MET A 523 -6.024 2.202 5.131 1.00 41.35 H new ATOM 0 HB2 MET A 523 -3.731 1.038 6.793 1.00 2.43 H new ATOM 0 HB3 MET A 523 -4.344 2.675 6.912 1.00 2.43 H new ATOM 0 HG2 MET A 523 -6.593 1.703 7.590 1.00 12.00 H new ATOM 0 HG3 MET A 523 -5.836 0.123 7.634 1.00 12.00 H new ATOM 0 HE1 MET A 523 -6.923 1.873 10.941 1.00 4.04 H new ATOM 0 HE2 MET A 523 -7.307 0.643 9.713 1.00 4.04 H new ATOM 0 HE3 MET A 523 -6.267 0.226 11.095 1.00 4.04 H new ATOM 2319 N GLY A 524 -3.926 3.383 4.154 1.00 45.44 N ATOM 2320 CA GLY A 524 -2.948 4.011 3.261 1.00 23.25 C ATOM 2321 C GLY A 524 -2.234 5.181 3.933 1.00 2.12 C ATOM 2322 O GLY A 524 -2.757 6.293 3.981 1.00 4.24 O ATOM 0 H GLY A 524 -4.486 4.049 4.686 1.00 45.44 H new ATOM 0 HA2 GLY A 524 -2.214 3.269 2.947 1.00 23.25 H new ATOM 0 HA3 GLY A 524 -3.451 4.362 2.360 1.00 23.25 H new ATOM 2326 N LEU A 525 -1.044 4.920 4.483 1.00 14.23 N ATOM 2327 CA LEU A 525 -0.207 5.956 5.119 1.00 72.45 C ATOM 2328 C LEU A 525 0.549 6.757 4.042 1.00 41.21 C ATOM 2329 O LEU A 525 1.511 6.261 3.466 1.00 54.20 O ATOM 2330 CB LEU A 525 0.773 5.266 6.113 1.00 51.25 C ATOM 2331 CG LEU A 525 0.143 4.879 7.492 1.00 44.15 C ATOM 2332 CD1 LEU A 525 0.925 3.752 8.188 1.00 73.24 C ATOM 2333 CD2 LEU A 525 0.043 6.126 8.407 1.00 15.13 C ATOM 0 H LEU A 525 -0.630 3.988 4.503 1.00 14.23 H new ATOM 0 HA LEU A 525 -0.829 6.659 5.672 1.00 72.45 H new ATOM 0 HB2 LEU A 525 1.169 4.365 5.645 1.00 51.25 H new ATOM 0 HB3 LEU A 525 1.618 5.931 6.289 1.00 51.25 H new ATOM 0 HG LEU A 525 -0.861 4.500 7.300 1.00 44.15 H new ATOM 0 HD11 LEU A 525 0.452 3.516 9.141 1.00 73.24 H new ATOM 0 HD12 LEU A 525 0.926 2.865 7.554 1.00 73.24 H new ATOM 0 HD13 LEU A 525 1.951 4.075 8.362 1.00 73.24 H new ATOM 0 HD21 LEU A 525 -0.397 5.842 9.363 1.00 15.13 H new ATOM 0 HD22 LEU A 525 1.039 6.536 8.574 1.00 15.13 H new ATOM 0 HD23 LEU A 525 -0.584 6.879 7.929 1.00 15.13 H new ATOM 2345 N ILE A 526 0.106 8.005 3.796 1.00 53.21 N ATOM 2346 CA ILE A 526 0.684 8.882 2.755 1.00 13.33 C ATOM 2347 C ILE A 526 1.725 9.839 3.378 1.00 41.40 C ATOM 2348 O ILE A 526 1.334 10.847 3.994 1.00 0.02 O ATOM 2349 CB ILE A 526 -0.433 9.729 2.029 1.00 1.04 C ATOM 2350 CG1 ILE A 526 -1.564 8.809 1.464 1.00 73.25 C ATOM 2351 CG2 ILE A 526 0.191 10.608 0.910 1.00 64.42 C ATOM 2352 CD1 ILE A 526 -2.708 9.550 0.786 1.00 73.14 C ATOM 0 H ILE A 526 -0.662 8.435 4.312 1.00 53.21 H new ATOM 0 HA ILE A 526 1.168 8.241 2.018 1.00 13.33 H new ATOM 0 HB ILE A 526 -0.890 10.391 2.765 1.00 1.04 H new ATOM 0 HG12 ILE A 526 -1.125 8.114 0.748 1.00 73.25 H new ATOM 0 HG13 ILE A 526 -1.970 8.212 2.281 1.00 73.25 H new ATOM 0 HG21 ILE A 526 -0.594 11.185 0.420 1.00 64.42 H new ATOM 0 HG22 ILE A 526 0.922 11.288 1.347 1.00 64.42 H new ATOM 0 HG23 ILE A 526 0.683 9.969 0.177 1.00 64.42 H new ATOM 0 HD11 ILE A 526 -3.444 8.831 0.426 1.00 73.14 H new ATOM 0 HD12 ILE A 526 -3.179 10.225 1.501 1.00 73.14 H new ATOM 0 HD13 ILE A 526 -2.321 10.125 -0.055 1.00 73.14 H new ATOM 2364 N PRO A 527 3.064 9.548 3.256 1.00 43.40 N ATOM 2365 CA PRO A 527 4.113 10.418 3.836 1.00 43.01 C ATOM 2366 C PRO A 527 4.240 11.758 3.086 1.00 12.14 C ATOM 2367 O PRO A 527 3.820 11.888 1.934 1.00 33.22 O ATOM 2368 CB PRO A 527 5.404 9.561 3.702 1.00 51.13 C ATOM 2369 CG PRO A 527 5.147 8.688 2.514 1.00 32.43 C ATOM 2370 CD PRO A 527 3.662 8.377 2.551 1.00 72.23 C ATOM 0 HA PRO A 527 3.895 10.705 4.865 1.00 43.01 H new ATOM 0 HB2 PRO A 527 6.283 10.187 3.552 1.00 51.13 H new ATOM 0 HB3 PRO A 527 5.583 8.969 4.599 1.00 51.13 H new ATOM 0 HG2 PRO A 527 5.418 9.196 1.588 1.00 32.43 H new ATOM 0 HG3 PRO A 527 5.740 7.775 2.563 1.00 32.43 H new ATOM 0 HD2 PRO A 527 3.253 8.264 1.547 1.00 72.23 H new ATOM 0 HD3 PRO A 527 3.462 7.447 3.083 1.00 72.23 H new ATOM 2378 N TYR A 528 4.743 12.769 3.791 1.00 13.11 N ATOM 2379 CA TYR A 528 5.232 14.028 3.178 1.00 54.32 C ATOM 2380 C TYR A 528 6.772 14.095 3.293 1.00 71.15 C ATOM 2381 O TYR A 528 7.411 15.072 2.902 1.00 33.34 O ATOM 2382 CB TYR A 528 4.513 15.234 3.840 1.00 33.20 C ATOM 2383 CG TYR A 528 3.014 15.262 3.484 1.00 23.43 C ATOM 2384 CD1 TYR A 528 2.115 14.373 4.085 1.00 15.01 C ATOM 2385 CD2 TYR A 528 2.514 16.119 2.500 1.00 72.34 C ATOM 2386 CE1 TYR A 528 0.779 14.345 3.725 1.00 21.23 C ATOM 2387 CE2 TYR A 528 1.181 16.085 2.131 1.00 61.33 C ATOM 2388 CZ TYR A 528 0.317 15.199 2.746 1.00 75.25 C ATOM 2389 OH TYR A 528 -1.005 15.151 2.355 1.00 60.41 O ATOM 0 H TYR A 528 4.828 12.750 4.807 1.00 13.11 H new ATOM 0 HA TYR A 528 4.995 14.061 2.115 1.00 54.32 H new ATOM 0 HB2 TYR A 528 4.630 15.179 4.922 1.00 33.20 H new ATOM 0 HB3 TYR A 528 4.983 16.162 3.515 1.00 33.20 H new ATOM 0 HD1 TYR A 528 2.472 13.695 4.846 1.00 15.01 H new ATOM 0 HD2 TYR A 528 3.180 16.820 2.019 1.00 72.34 H new ATOM 0 HE1 TYR A 528 0.101 13.657 4.209 1.00 21.23 H new ATOM 0 HE2 TYR A 528 0.816 16.751 1.363 1.00 61.33 H new ATOM 0 HH TYR A 528 -1.164 15.820 1.657 1.00 60.41 H new ATOM 2399 N ASP A 529 7.346 13.000 3.817 1.00 24.44 N ATOM 2400 CA ASP A 529 8.795 12.765 3.881 1.00 31.45 C ATOM 2401 C ASP A 529 9.210 11.749 2.788 1.00 22.05 C ATOM 2402 O ASP A 529 9.919 10.791 3.079 1.00 21.31 O ATOM 2403 CB ASP A 529 9.152 12.239 5.296 1.00 11.53 C ATOM 2404 CG ASP A 529 8.724 13.194 6.415 1.00 72.22 C ATOM 2405 OD1 ASP A 529 7.517 13.251 6.720 1.00 75.54 O ATOM 2406 OD2 ASP A 529 9.584 13.908 6.977 1.00 4.02 O ATOM 0 H ASP A 529 6.801 12.236 4.217 1.00 24.44 H new ATOM 0 HA ASP A 529 9.337 13.693 3.700 1.00 31.45 H new ATOM 0 HB2 ASP A 529 8.674 11.271 5.449 1.00 11.53 H new ATOM 0 HB3 ASP A 529 10.228 12.076 5.356 1.00 11.53 H new ATOM 2411 N GLN A 530 8.758 11.978 1.526 1.00 63.34 N ATOM 2412 CA GLN A 530 9.067 11.086 0.363 1.00 71.03 C ATOM 2413 C GLN A 530 10.577 10.752 0.256 1.00 4.32 C ATOM 2414 O GLN A 530 10.936 9.598 0.087 1.00 12.42 O ATOM 2415 CB GLN A 530 8.550 11.699 -0.989 1.00 51.12 C ATOM 2416 CG GLN A 530 7.146 11.225 -1.441 1.00 11.33 C ATOM 2417 CD GLN A 530 6.015 11.571 -0.469 1.00 54.20 C ATOM 2418 OE1 GLN A 530 6.064 12.581 0.226 1.00 35.55 O ATOM 2419 NE2 GLN A 530 4.988 10.735 -0.416 1.00 12.52 N ATOM 0 H GLN A 530 8.174 12.778 1.282 1.00 63.34 H new ATOM 0 HA GLN A 530 8.535 10.153 0.548 1.00 71.03 H new ATOM 0 HB2 GLN A 530 8.535 12.785 -0.893 1.00 51.12 H new ATOM 0 HB3 GLN A 530 9.266 11.458 -1.775 1.00 51.12 H new ATOM 0 HG2 GLN A 530 6.922 11.668 -2.411 1.00 11.33 H new ATOM 0 HG3 GLN A 530 7.169 10.144 -1.582 1.00 11.33 H new ATOM 0 HE21 GLN A 530 4.976 9.903 -1.007 1.00 12.52 H new ATOM 0 HE22 GLN A 530 4.209 10.923 0.215 1.00 12.52 H new ATOM 2428 N SER A 531 11.442 11.770 0.379 1.00 41.44 N ATOM 2429 CA SER A 531 12.918 11.581 0.291 1.00 14.15 C ATOM 2430 C SER A 531 13.465 10.632 1.393 1.00 35.14 C ATOM 2431 O SER A 531 14.343 9.808 1.125 1.00 73.32 O ATOM 2432 CB SER A 531 13.639 12.946 0.358 1.00 1.24 C ATOM 2433 OG SER A 531 15.049 12.798 0.260 1.00 72.32 O ATOM 0 H SER A 531 11.156 12.736 0.540 1.00 41.44 H new ATOM 0 HA SER A 531 13.121 11.108 -0.670 1.00 14.15 H new ATOM 0 HB2 SER A 531 13.283 13.586 -0.449 1.00 1.24 H new ATOM 0 HB3 SER A 531 13.389 13.445 1.294 1.00 1.24 H new ATOM 0 HG SER A 531 15.474 13.680 0.304 1.00 72.32 H new ATOM 2439 N GLY A 532 12.923 10.755 2.621 1.00 33.30 N ATOM 2440 CA GLY A 532 13.345 9.918 3.762 1.00 64.21 C ATOM 2441 C GLY A 532 12.737 8.502 3.751 1.00 73.41 C ATOM 2442 O GLY A 532 13.389 7.531 4.148 1.00 51.13 O ATOM 0 H GLY A 532 12.191 11.427 2.848 1.00 33.30 H new ATOM 0 HA2 GLY A 532 14.432 9.837 3.759 1.00 64.21 H new ATOM 0 HA3 GLY A 532 13.065 10.417 4.690 1.00 64.21 H new ATOM 2446 N PHE A 533 11.480 8.400 3.286 1.00 63.31 N ATOM 2447 CA PHE A 533 10.721 7.132 3.238 1.00 15.42 C ATOM 2448 C PHE A 533 11.246 6.232 2.097 1.00 72.05 C ATOM 2449 O PHE A 533 11.644 5.092 2.328 1.00 11.21 O ATOM 2450 CB PHE A 533 9.204 7.427 3.066 1.00 3.34 C ATOM 2451 CG PHE A 533 8.299 6.189 3.099 1.00 32.21 C ATOM 2452 CD1 PHE A 533 8.138 5.454 4.276 1.00 61.12 C ATOM 2453 CD2 PHE A 533 7.605 5.762 1.962 1.00 14.10 C ATOM 2454 CE1 PHE A 533 7.323 4.335 4.311 1.00 42.51 C ATOM 2455 CE2 PHE A 533 6.788 4.644 2.001 1.00 3.40 C ATOM 2456 CZ PHE A 533 6.650 3.930 3.176 1.00 53.13 C ATOM 0 H PHE A 533 10.956 9.199 2.930 1.00 63.31 H new ATOM 0 HA PHE A 533 10.862 6.597 4.177 1.00 15.42 H new ATOM 0 HB2 PHE A 533 8.890 8.110 3.855 1.00 3.34 H new ATOM 0 HB3 PHE A 533 9.054 7.944 2.118 1.00 3.34 H new ATOM 0 HD1 PHE A 533 8.657 5.763 5.172 1.00 61.12 H new ATOM 0 HD2 PHE A 533 7.708 6.313 1.039 1.00 14.10 H new ATOM 0 HE1 PHE A 533 7.214 3.777 5.229 1.00 42.51 H new ATOM 0 HE2 PHE A 533 6.259 4.330 1.113 1.00 3.40 H new ATOM 0 HZ PHE A 533 6.016 3.056 3.206 1.00 53.13 H new ATOM 2466 N VAL A 534 11.276 6.800 0.876 1.00 23.32 N ATOM 2467 CA VAL A 534 11.788 6.129 -0.347 1.00 33.02 C ATOM 2468 C VAL A 534 13.306 5.803 -0.234 1.00 61.35 C ATOM 2469 O VAL A 534 13.791 4.895 -0.904 1.00 73.43 O ATOM 2470 CB VAL A 534 11.481 7.000 -1.633 1.00 41.24 C ATOM 2471 CG1 VAL A 534 12.089 6.413 -2.933 1.00 1.13 C ATOM 2472 CG2 VAL A 534 9.952 7.209 -1.796 1.00 71.34 C ATOM 0 H VAL A 534 10.943 7.748 0.703 1.00 23.32 H new ATOM 0 HA VAL A 534 11.264 5.178 -0.447 1.00 33.02 H new ATOM 0 HB VAL A 534 11.965 7.963 -1.474 1.00 41.24 H new ATOM 0 HG11 VAL A 534 11.840 7.059 -3.775 1.00 1.13 H new ATOM 0 HG12 VAL A 534 13.172 6.350 -2.832 1.00 1.13 H new ATOM 0 HG13 VAL A 534 11.682 5.417 -3.108 1.00 1.13 H new ATOM 0 HG21 VAL A 534 9.760 7.810 -2.685 1.00 71.34 H new ATOM 0 HG22 VAL A 534 9.461 6.241 -1.899 1.00 71.34 H new ATOM 0 HG23 VAL A 534 9.559 7.723 -0.919 1.00 71.34 H new ATOM 2482 N ASN A 535 14.047 6.531 0.628 1.00 22.14 N ATOM 2483 CA ASN A 535 15.434 6.167 1.001 1.00 4.24 C ATOM 2484 C ASN A 535 15.480 4.728 1.585 1.00 70.33 C ATOM 2485 O ASN A 535 16.251 3.886 1.120 1.00 72.41 O ATOM 2486 CB ASN A 535 15.983 7.191 2.024 1.00 51.31 C ATOM 2487 CG ASN A 535 17.437 6.940 2.414 1.00 52.52 C ATOM 2488 OD1 ASN A 535 17.736 6.243 3.379 1.00 4.24 O ATOM 2489 ND2 ASN A 535 18.353 7.509 1.661 1.00 4.52 N ATOM 0 H ASN A 535 13.707 7.379 1.082 1.00 22.14 H new ATOM 0 HA ASN A 535 16.061 6.189 0.109 1.00 4.24 H new ATOM 0 HB2 ASN A 535 15.895 8.194 1.606 1.00 51.31 H new ATOM 0 HB3 ASN A 535 15.364 7.164 2.921 1.00 51.31 H new ATOM 0 HD21 ASN A 535 19.342 7.376 1.873 1.00 4.52 H new ATOM 0 HD22 ASN A 535 18.074 8.083 0.865 1.00 4.52 H new ATOM 2496 N GLY A 536 14.614 4.465 2.583 1.00 1.53 N ATOM 2497 CA GLY A 536 14.485 3.127 3.185 1.00 14.42 C ATOM 2498 C GLY A 536 13.813 2.096 2.258 1.00 72.52 C ATOM 2499 O GLY A 536 14.179 0.916 2.266 1.00 74.22 O ATOM 0 H GLY A 536 13.993 5.165 2.989 1.00 1.53 H new ATOM 0 HA2 GLY A 536 15.475 2.765 3.460 1.00 14.42 H new ATOM 0 HA3 GLY A 536 13.907 3.206 4.106 1.00 14.42 H new ATOM 2503 N ILE A 537 12.835 2.553 1.452 1.00 54.42 N ATOM 2504 CA ILE A 537 12.050 1.678 0.547 1.00 43.42 C ATOM 2505 C ILE A 537 12.896 1.150 -0.631 1.00 72.14 C ATOM 2506 O ILE A 537 12.904 -0.047 -0.886 1.00 63.14 O ATOM 2507 CB ILE A 537 10.746 2.406 0.034 1.00 35.42 C ATOM 2508 CG1 ILE A 537 9.785 2.689 1.229 1.00 3.34 C ATOM 2509 CG2 ILE A 537 10.014 1.614 -1.082 1.00 41.13 C ATOM 2510 CD1 ILE A 537 9.327 1.449 1.987 1.00 53.11 C ATOM 0 H ILE A 537 12.564 3.535 1.407 1.00 54.42 H new ATOM 0 HA ILE A 537 11.742 0.811 1.132 1.00 43.42 H new ATOM 0 HB ILE A 537 11.059 3.350 -0.411 1.00 35.42 H new ATOM 0 HG12 ILE A 537 10.284 3.361 1.927 1.00 3.34 H new ATOM 0 HG13 ILE A 537 8.906 3.214 0.854 1.00 3.34 H new ATOM 0 HG21 ILE A 537 9.126 2.163 -1.395 1.00 41.13 H new ATOM 0 HG22 ILE A 537 10.681 1.486 -1.935 1.00 41.13 H new ATOM 0 HG23 ILE A 537 9.721 0.636 -0.701 1.00 41.13 H new ATOM 0 HD11 ILE A 537 8.663 1.744 2.799 1.00 53.11 H new ATOM 0 HD12 ILE A 537 8.796 0.783 1.307 1.00 53.11 H new ATOM 0 HD13 ILE A 537 10.195 0.932 2.397 1.00 53.11 H new ATOM 2522 N ARG A 538 13.627 2.048 -1.308 1.00 60.05 N ATOM 2523 CA ARG A 538 14.515 1.704 -2.457 1.00 51.01 C ATOM 2524 C ARG A 538 15.555 0.612 -2.072 1.00 73.12 C ATOM 2525 O ARG A 538 15.938 -0.228 -2.897 1.00 54.21 O ATOM 2526 CB ARG A 538 15.216 2.992 -2.965 1.00 44.32 C ATOM 2527 CG ARG A 538 16.099 2.820 -4.221 1.00 55.43 C ATOM 2528 CD ARG A 538 16.661 4.159 -4.734 1.00 22.53 C ATOM 2529 NE ARG A 538 17.474 4.015 -5.962 1.00 51.44 N ATOM 2530 CZ ARG A 538 17.684 4.967 -6.858 1.00 73.11 C ATOM 2531 NH1 ARG A 538 17.122 6.137 -6.749 1.00 44.45 N ATOM 2532 NH2 ARG A 538 18.452 4.736 -7.869 1.00 62.30 N ATOM 0 H ARG A 538 13.627 3.043 -1.082 1.00 60.05 H new ATOM 0 HA ARG A 538 13.905 1.287 -3.259 1.00 51.01 H new ATOM 0 HB2 ARG A 538 14.452 3.739 -3.179 1.00 44.32 H new ATOM 0 HB3 ARG A 538 15.834 3.390 -2.160 1.00 44.32 H new ATOM 0 HG2 ARG A 538 16.925 2.147 -3.991 1.00 55.43 H new ATOM 0 HG3 ARG A 538 15.514 2.349 -5.011 1.00 55.43 H new ATOM 0 HD2 ARG A 538 15.834 4.842 -4.931 1.00 22.53 H new ATOM 0 HD3 ARG A 538 17.271 4.613 -3.953 1.00 22.53 H new ATOM 0 HE ARG A 538 17.908 3.108 -6.132 1.00 51.44 H new ATOM 0 HH11 ARG A 538 16.505 6.335 -5.961 1.00 44.45 H new ATOM 0 HH12 ARG A 538 17.299 6.855 -7.452 1.00 44.45 H new ATOM 0 HH21 ARG A 538 18.894 3.823 -7.975 1.00 62.30 H new ATOM 0 HH22 ARG A 538 18.617 5.466 -8.562 1.00 62.30 H new ATOM 2546 N GLN A 539 15.965 0.632 -0.791 1.00 2.55 N ATOM 2547 CA GLN A 539 16.851 -0.385 -0.192 1.00 12.32 C ATOM 2548 C GLN A 539 16.159 -1.765 -0.071 1.00 15.42 C ATOM 2549 O GLN A 539 16.750 -2.795 -0.394 1.00 13.44 O ATOM 2550 CB GLN A 539 17.316 0.105 1.200 1.00 55.40 C ATOM 2551 CG GLN A 539 18.241 1.337 1.145 1.00 11.24 C ATOM 2552 CD GLN A 539 18.759 1.769 2.515 1.00 0.31 C ATOM 2553 OE1 GLN A 539 18.041 2.641 3.195 1.00 32.14 O flip ATOM 2554 NE2 GLN A 539 19.801 1.317 2.959 1.00 43.34 N flip ATOM 0 H GLN A 539 15.688 1.362 -0.135 1.00 2.55 H new ATOM 0 HA GLN A 539 17.710 -0.517 -0.850 1.00 12.32 H new ATOM 0 HB2 GLN A 539 16.440 0.346 1.802 1.00 55.40 H new ATOM 0 HB3 GLN A 539 17.837 -0.708 1.706 1.00 55.40 H new ATOM 0 HG2 GLN A 539 19.089 1.116 0.497 1.00 11.24 H new ATOM 0 HG3 GLN A 539 17.701 2.168 0.691 1.00 11.24 H new ATOM 0 HE21 GLN A 539 20.338 0.643 2.413 1.00 43.34 H new ATOM 0 HE22 GLN A 539 20.135 1.613 3.876 1.00 43.34 H new ATOM 2563 N VAL A 540 14.902 -1.772 0.401 1.00 44.31 N ATOM 2564 CA VAL A 540 14.138 -3.023 0.637 1.00 22.11 C ATOM 2565 C VAL A 540 13.328 -3.495 -0.611 1.00 62.34 C ATOM 2566 O VAL A 540 12.651 -4.529 -0.564 1.00 5.10 O ATOM 2567 CB VAL A 540 13.209 -2.880 1.895 1.00 31.32 C ATOM 2568 CG1 VAL A 540 14.044 -2.668 3.185 1.00 54.21 C ATOM 2569 CG2 VAL A 540 12.179 -1.753 1.727 1.00 3.34 C ATOM 0 H VAL A 540 14.385 -0.923 0.630 1.00 44.31 H new ATOM 0 HA VAL A 540 14.874 -3.803 0.831 1.00 22.11 H new ATOM 0 HB VAL A 540 12.658 -3.816 1.990 1.00 31.32 H new ATOM 0 HG11 VAL A 540 13.375 -2.572 4.040 1.00 54.21 H new ATOM 0 HG12 VAL A 540 14.705 -3.522 3.335 1.00 54.21 H new ATOM 0 HG13 VAL A 540 14.640 -1.761 3.087 1.00 54.21 H new ATOM 0 HG21 VAL A 540 11.559 -1.691 2.621 1.00 3.34 H new ATOM 0 HG22 VAL A 540 12.697 -0.806 1.578 1.00 3.34 H new ATOM 0 HG23 VAL A 540 11.549 -1.962 0.862 1.00 3.34 H new