USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 905 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 49 MET CE :methyl -161:sc= -5.13! (180deg=-2.98!) USER MOD Set 1.2: A 53 ASN :FLIP amide:sc= -6.93! C(o=-24!,f=-20!) USER MOD Set 1.3: B 49 MET CE :methyl -161:sc= -4.07! (180deg=-2.86!) USER MOD Set 1.4: B 53 ASN : amide:sc= -3.61! C(o=-20!,f=-24!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 26 SER OG : rot 180:sc= 0.15 USER MOD Single : A 28 GLN :FLIP amide:sc= -15! C(o=-19!,f=-15!) USER MOD Single : A 29 ASN : amide:sc= 0.477 K(o=0.48,f=-0.25) USER MOD Single : A 30 MET CE :methyl -118:sc= -0.657 (180deg=-4.24!) USER MOD Single : A 31 SER OG : rot 77:sc= -0.271! USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= 0.975! (180deg=0.241!) USER MOD Single : A 33 GLN : amide:sc= -0.342 K(o=-0.34,f=-11!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 130:sc= -2.08! USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.251 (180deg=-0.776) USER MOD Single : A 45 CYS SG : rot 45:sc= 0.603 USER MOD Single : A 47 SER OG : rot 88:sc= 0.34 USER MOD Single : A 54 ASN : amide:sc= -0.022 K(o=-0.022,f=-1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -148:sc= -0.666 (180deg=-2.43!) USER MOD Single : B 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 24 THR OG1 : rot 101:sc= 0.165 USER MOD Single : B 26 SER OG : rot 180:sc= 0.147 USER MOD Single : B 28 GLN :FLIP amide:sc= -15.4! C(o=-19!,f=-15!) USER MOD Single : B 29 ASN : amide:sc= 0.696 K(o=0.7,f=-0.0053) USER MOD Single : B 30 MET CE :methyl -124:sc= -1.3 (180deg=-6.42!) USER MOD Single : B 31 SER OG : rot 79:sc= 0.696 USER MOD Single : B 32 LYS NZ :NH3+ -158:sc= 0.915! (180deg=0.559!) USER MOD Single : B 33 GLN : amide:sc= 0.0624 K(o=0.062,f=-10!) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot 130:sc= -2.91! USER MOD Single : B 44 LYS NZ :NH3+ -162:sc= -0.119 (180deg=-0.585) USER MOD Single : B 45 CYS SG : rot 52:sc= 0.812 USER MOD Single : B 47 SER OG : rot 86:sc= 0.665 USER MOD Single : B 54 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.1) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 LYS NZ :NH3+ -147:sc= -0.409 (180deg=-2.12!) USER MOD Single : B 84 ASN : amide:sc= 0.843 K(o=0.84,f=-0.33) USER MOD Single : B 86 GLN :FLIP amide:sc= -0.176 F(o=-1.1!,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 332 N HIS A 23 148.923 -0.217 14.177 1.00 0.00 N ATOM 333 CA HIS A 23 150.096 0.707 13.922 1.00 0.00 C ATOM 334 C HIS A 23 149.918 1.210 12.516 1.00 0.00 C ATOM 335 O HIS A 23 149.669 2.377 12.271 1.00 0.00 O ATOM 336 CB HIS A 23 151.436 -0.047 14.055 1.00 0.00 C ATOM 337 CG HIS A 23 151.392 -0.891 15.288 1.00 0.00 C ATOM 338 ND1 HIS A 23 151.295 -0.331 16.548 1.00 0.00 N ATOM 339 CD2 HIS A 23 151.374 -2.249 15.471 1.00 0.00 C ATOM 340 CE1 HIS A 23 151.218 -1.339 17.430 1.00 0.00 C ATOM 341 NE2 HIS A 23 151.262 -2.533 16.826 1.00 0.00 N ATOM 0 HA HIS A 23 150.122 1.521 14.647 1.00 0.00 H new ATOM 0 HB2 HIS A 23 151.608 -0.670 13.177 1.00 0.00 H new ATOM 0 HB3 HIS A 23 152.263 0.660 14.111 1.00 0.00 H new ATOM 0 HD2 HIS A 23 151.437 -2.985 14.683 1.00 0.00 H new ATOM 0 HE1 HIS A 23 151.131 -1.204 18.498 1.00 0.00 H new ATOM 0 HE2 HIS A 23 151.222 -3.452 17.266 1.00 0.00 H new ATOM 350 N THR A 24 149.855 0.274 11.639 1.00 0.00 N ATOM 351 CA THR A 24 149.502 0.464 10.224 1.00 0.00 C ATOM 352 C THR A 24 148.278 1.375 10.139 1.00 0.00 C ATOM 353 O THR A 24 148.094 2.084 9.170 1.00 0.00 O ATOM 354 CB THR A 24 149.108 -0.915 9.713 1.00 0.00 C ATOM 355 OG1 THR A 24 149.933 -1.913 10.342 1.00 0.00 O ATOM 356 CG2 THR A 24 149.242 -1.003 8.197 1.00 0.00 C ATOM 0 H THR A 24 150.052 -0.700 11.869 1.00 0.00 H new ATOM 0 HA THR A 24 150.321 0.902 9.654 1.00 0.00 H new ATOM 0 HB THR A 24 148.062 -1.091 9.965 1.00 0.00 H new ATOM 0 HG1 THR A 24 149.679 -2.801 10.015 1.00 0.00 H new ATOM 0 HG21 THR A 24 148.953 -2.000 7.863 1.00 0.00 H new ATOM 0 HG22 THR A 24 148.593 -0.262 7.731 1.00 0.00 H new ATOM 0 HG23 THR A 24 150.276 -0.810 7.911 1.00 0.00 H new ATOM 364 N GLU A 25 147.454 1.348 11.155 1.00 0.00 N ATOM 365 CA GLU A 25 146.242 2.179 11.206 1.00 0.00 C ATOM 366 C GLU A 25 146.497 3.500 10.506 1.00 0.00 C ATOM 367 O GLU A 25 145.789 3.860 9.577 1.00 0.00 O ATOM 368 CB GLU A 25 145.967 2.451 12.703 1.00 0.00 C ATOM 369 CG GLU A 25 145.492 1.136 13.365 1.00 0.00 C ATOM 370 CD GLU A 25 145.815 1.141 14.842 1.00 0.00 C ATOM 371 OE1 GLU A 25 146.926 0.849 15.186 1.00 0.00 O ATOM 372 OE2 GLU A 25 144.952 1.432 15.614 1.00 0.00 O ATOM 0 H GLU A 25 147.589 0.757 11.976 1.00 0.00 H new ATOM 0 HA GLU A 25 145.402 1.682 10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 25 146.869 2.817 13.193 1.00 0.00 H new ATOM 0 HB3 GLU A 25 145.208 3.226 12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 25 144.418 1.017 13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 25 145.974 0.285 12.884 1.00 0.00 H new ATOM 379 N SER A 26 147.451 4.240 10.957 1.00 0.00 N ATOM 380 CA SER A 26 147.752 5.561 10.335 1.00 0.00 C ATOM 381 C SER A 26 147.737 5.449 8.793 1.00 0.00 C ATOM 382 O SER A 26 147.125 6.256 8.118 1.00 0.00 O ATOM 383 CB SER A 26 149.111 6.050 10.825 1.00 0.00 C ATOM 384 OG SER A 26 149.580 5.175 11.878 1.00 0.00 O ATOM 0 H SER A 26 148.051 3.990 11.743 1.00 0.00 H new ATOM 0 HA SER A 26 146.986 6.280 10.627 1.00 0.00 H new ATOM 0 HB2 SER A 26 149.825 6.063 10.001 1.00 0.00 H new ATOM 0 HB3 SER A 26 149.032 7.073 11.194 1.00 0.00 H new ATOM 0 HG SER A 26 150.454 5.484 12.195 1.00 0.00 H new ATOM 390 N LEU A 27 148.300 4.406 8.246 1.00 0.00 N ATOM 391 CA LEU A 27 148.256 4.220 6.777 1.00 0.00 C ATOM 392 C LEU A 27 146.805 4.019 6.345 1.00 0.00 C ATOM 393 O LEU A 27 146.326 4.651 5.420 1.00 0.00 O ATOM 394 CB LEU A 27 149.083 2.987 6.397 1.00 0.00 C ATOM 395 CG LEU A 27 150.580 3.290 6.537 1.00 0.00 C ATOM 396 CD1 LEU A 27 151.375 1.985 6.652 1.00 0.00 C ATOM 397 CD2 LEU A 27 151.074 4.071 5.318 1.00 0.00 C ATOM 0 H LEU A 27 148.790 3.674 8.760 1.00 0.00 H new ATOM 0 HA LEU A 27 148.668 5.097 6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 27 148.813 2.147 7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 27 148.859 2.691 5.372 1.00 0.00 H new ATOM 0 HG LEU A 27 150.729 3.886 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 27 152.436 2.213 6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 27 151.040 1.431 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 27 151.215 1.382 5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 27 152.138 4.281 5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 27 150.912 3.480 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 27 150.525 5.009 5.240 1.00 0.00 H new ATOM 409 N GLN A 28 146.074 3.193 7.039 1.00 0.00 N ATOM 410 CA GLN A 28 144.648 3.016 6.717 1.00 0.00 C ATOM 411 C GLN A 28 143.926 4.308 7.018 1.00 0.00 C ATOM 412 O GLN A 28 142.949 4.644 6.357 1.00 0.00 O ATOM 413 CB GLN A 28 144.037 1.876 7.537 1.00 0.00 C ATOM 414 CG GLN A 28 144.711 0.568 7.168 1.00 0.00 C ATOM 415 CD GLN A 28 145.971 0.409 7.957 1.00 0.00 C ATOM 416 OE1 GLN A 28 147.063 0.784 7.429 1.00 0.00 O flip ATOM 417 NE2 GLN A 28 145.961 -0.074 9.064 1.00 0.00 N flip ATOM 0 H GLN A 28 146.414 2.632 7.820 1.00 0.00 H new ATOM 0 HA GLN A 28 144.547 2.760 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 28 144.161 2.073 8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 28 142.966 1.811 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 28 144.039 -0.267 7.366 1.00 0.00 H new ATOM 0 HG3 GLN A 28 144.934 0.551 6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 28 145.080 -0.373 9.482 1.00 0.00 H new ATOM 0 HE22 GLN A 28 146.834 -0.183 9.581 1.00 0.00 H new ATOM 426 N ASN A 29 144.350 5.021 8.008 1.00 0.00 N ATOM 427 CA ASN A 29 143.632 6.259 8.373 1.00 0.00 C ATOM 428 C ASN A 29 143.976 7.351 7.355 1.00 0.00 C ATOM 429 O ASN A 29 143.475 8.465 7.438 1.00 0.00 O ATOM 430 CB ASN A 29 144.025 6.694 9.778 1.00 0.00 C ATOM 431 CG ASN A 29 143.336 5.812 10.820 1.00 0.00 C ATOM 432 OD1 ASN A 29 142.570 6.299 11.628 1.00 0.00 O ATOM 433 ND2 ASN A 29 143.574 4.541 10.846 1.00 0.00 N ATOM 0 H ASN A 29 145.164 4.801 8.582 1.00 0.00 H new ATOM 0 HA ASN A 29 142.557 6.081 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 29 145.107 6.631 9.896 1.00 0.00 H new ATOM 0 HB3 ASN A 29 143.748 7.737 9.934 1.00 0.00 H new ATOM 0 HD21 ASN A 29 143.119 3.951 11.543 1.00 0.00 H new ATOM 0 HD22 ASN A 29 144.216 4.128 10.169 1.00 0.00 H new ATOM 440 N MET A 30 144.844 7.063 6.412 1.00 0.00 N ATOM 441 CA MET A 30 145.233 8.074 5.408 1.00 0.00 C ATOM 442 C MET A 30 144.377 7.907 4.174 1.00 0.00 C ATOM 443 O MET A 30 143.837 6.830 3.917 1.00 0.00 O ATOM 444 CB MET A 30 146.695 7.862 5.008 1.00 0.00 C ATOM 445 CG MET A 30 147.620 8.285 6.153 1.00 0.00 C ATOM 446 SD MET A 30 148.624 9.679 5.608 1.00 0.00 S ATOM 447 CE MET A 30 149.683 8.756 4.475 1.00 0.00 C ATOM 0 H MET A 30 145.298 6.156 6.304 1.00 0.00 H new ATOM 0 HA MET A 30 145.099 9.069 5.832 1.00 0.00 H new ATOM 0 HB2 MET A 30 146.864 6.814 4.761 1.00 0.00 H new ATOM 0 HB3 MET A 30 146.923 8.441 4.113 1.00 0.00 H new ATOM 0 HG2 MET A 30 147.033 8.563 7.029 1.00 0.00 H new ATOM 0 HG3 MET A 30 148.259 7.453 6.448 1.00 0.00 H new ATOM 0 HE1 MET A 30 150.718 8.818 4.812 1.00 0.00 H new ATOM 0 HE2 MET A 30 149.371 7.712 4.454 1.00 0.00 H new ATOM 0 HE3 MET A 30 149.601 9.179 3.474 1.00 0.00 H new ATOM 457 N SER A 31 144.258 8.920 3.402 1.00 0.00 N ATOM 458 CA SER A 31 143.436 8.833 2.172 1.00 0.00 C ATOM 459 C SER A 31 144.340 8.340 1.037 1.00 0.00 C ATOM 460 O SER A 31 145.533 8.611 1.017 1.00 0.00 O ATOM 461 CB SER A 31 142.883 10.225 1.833 1.00 0.00 C ATOM 462 OG SER A 31 142.983 11.094 2.985 1.00 0.00 O ATOM 0 H SER A 31 144.698 9.826 3.563 1.00 0.00 H new ATOM 0 HA SER A 31 142.600 8.147 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 31 143.437 10.651 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 31 141.843 10.145 1.518 1.00 0.00 H new ATOM 0 HG SER A 31 143.909 11.399 3.085 1.00 0.00 H new ATOM 468 N LYS A 32 143.812 7.541 0.150 1.00 0.00 N ATOM 469 CA LYS A 32 144.664 6.944 -0.926 1.00 0.00 C ATOM 470 C LYS A 32 145.474 8.026 -1.640 1.00 0.00 C ATOM 471 O LYS A 32 146.633 7.829 -1.930 1.00 0.00 O ATOM 472 CB LYS A 32 143.797 6.171 -1.948 1.00 0.00 C ATOM 473 CG LYS A 32 144.479 4.826 -2.318 1.00 0.00 C ATOM 474 CD LYS A 32 143.442 3.819 -2.863 1.00 0.00 C ATOM 475 CE LYS A 32 143.020 4.187 -4.305 1.00 0.00 C ATOM 476 NZ LYS A 32 142.604 2.967 -5.049 1.00 0.00 N ATOM 0 H LYS A 32 142.828 7.274 0.121 1.00 0.00 H new ATOM 0 HA LYS A 32 145.355 6.245 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 32 142.808 5.983 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 32 143.654 6.774 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 32 145.253 4.999 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 32 144.972 4.409 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 32 143.863 2.814 -2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 32 142.565 3.807 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 32 142.199 4.903 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 32 143.849 4.671 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 142.569 3.176 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 143.290 2.204 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 141.663 2.667 -4.724 1.00 0.00 H new ATOM 490 N GLN A 33 144.893 9.161 -1.928 1.00 0.00 N ATOM 491 CA GLN A 33 145.669 10.216 -2.651 1.00 0.00 C ATOM 492 C GLN A 33 146.937 10.540 -1.871 1.00 0.00 C ATOM 493 O GLN A 33 147.988 10.758 -2.446 1.00 0.00 O ATOM 494 CB GLN A 33 144.825 11.496 -2.848 1.00 0.00 C ATOM 495 CG GLN A 33 144.181 11.941 -1.526 1.00 0.00 C ATOM 496 CD GLN A 33 142.813 11.300 -1.394 1.00 0.00 C ATOM 497 OE1 GLN A 33 142.713 10.099 -1.190 1.00 0.00 O ATOM 498 NE2 GLN A 33 141.764 12.016 -1.517 1.00 0.00 N ATOM 0 H GLN A 33 143.929 9.403 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 33 145.933 9.835 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 33 145.456 12.296 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 33 144.049 11.313 -3.591 1.00 0.00 H new ATOM 0 HG2 GLN A 33 144.813 11.653 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 33 144.091 13.027 -1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 33 141.848 13.018 -1.687 1.00 0.00 H new ATOM 0 HE22 GLN A 33 140.842 11.586 -1.445 1.00 0.00 H new ATOM 507 N GLU A 34 146.850 10.525 -0.570 1.00 0.00 N ATOM 508 CA GLU A 34 148.038 10.798 0.277 1.00 0.00 C ATOM 509 C GLU A 34 149.022 9.666 0.068 1.00 0.00 C ATOM 510 O GLU A 34 150.043 9.830 -0.577 1.00 0.00 O ATOM 511 CB GLU A 34 147.615 10.857 1.768 1.00 0.00 C ATOM 512 CG GLU A 34 146.307 11.645 1.915 1.00 0.00 C ATOM 513 CD GLU A 34 146.017 11.887 3.381 1.00 0.00 C ATOM 514 OE1 GLU A 34 146.570 12.799 3.926 1.00 0.00 O ATOM 515 OE2 GLU A 34 145.225 11.157 3.937 1.00 0.00 O ATOM 0 H GLU A 34 145.992 10.332 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 34 148.490 11.752 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 34 147.486 9.847 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 34 148.401 11.328 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 34 146.383 12.596 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 34 145.486 11.093 1.459 1.00 0.00 H new ATOM 522 N LEU A 35 148.681 8.507 0.567 1.00 0.00 N ATOM 523 CA LEU A 35 149.544 7.291 0.430 1.00 0.00 C ATOM 524 C LEU A 35 150.102 7.219 -0.986 1.00 0.00 C ATOM 525 O LEU A 35 151.218 6.778 -1.210 1.00 0.00 O ATOM 526 CB LEU A 35 148.686 6.040 0.682 1.00 0.00 C ATOM 527 CG LEU A 35 148.072 6.077 2.097 1.00 0.00 C ATOM 528 CD1 LEU A 35 146.653 5.505 2.067 1.00 0.00 C ATOM 529 CD2 LEU A 35 148.924 5.240 3.051 1.00 0.00 C ATOM 0 H LEU A 35 147.814 8.346 1.080 1.00 0.00 H new ATOM 0 HA LEU A 35 150.362 7.343 1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 35 147.892 5.981 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 35 149.297 5.145 0.568 1.00 0.00 H new ATOM 0 HG LEU A 35 148.041 7.111 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 35 146.227 5.535 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 35 146.036 6.099 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 35 146.684 4.473 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 35 148.487 5.269 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.958 4.209 2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 35 149.935 5.645 3.086 1.00 0.00 H new ATOM 541 N ILE A 36 149.314 7.567 -1.940 1.00 0.00 N ATOM 542 CA ILE A 36 149.760 7.490 -3.342 1.00 0.00 C ATOM 543 C ILE A 36 150.780 8.601 -3.590 1.00 0.00 C ATOM 544 O ILE A 36 151.876 8.350 -4.052 1.00 0.00 O ATOM 545 CB ILE A 36 148.526 7.647 -4.247 1.00 0.00 C ATOM 546 CG1 ILE A 36 147.655 6.384 -4.123 1.00 0.00 C ATOM 547 CG2 ILE A 36 148.930 7.852 -5.712 1.00 0.00 C ATOM 548 CD1 ILE A 36 146.312 6.610 -4.800 1.00 0.00 C ATOM 0 H ILE A 36 148.362 7.908 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 36 150.235 6.534 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 36 147.968 8.527 -3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 36 148.164 5.535 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 36 147.505 6.138 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 36 148.035 7.959 -6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 36 149.539 8.752 -5.799 1.00 0.00 H new ATOM 0 HG23 ILE A 36 149.503 6.991 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 36 145.702 5.711 -4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 36 145.801 7.446 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 36 146.470 6.835 -5.855 1.00 0.00 H new ATOM 560 N LYS A 37 150.436 9.816 -3.279 1.00 0.00 N ATOM 561 CA LYS A 37 151.376 10.941 -3.495 1.00 0.00 C ATOM 562 C LYS A 37 152.704 10.634 -2.811 1.00 0.00 C ATOM 563 O LYS A 37 153.789 10.774 -3.414 1.00 0.00 O ATOM 564 CB LYS A 37 150.775 12.208 -2.902 1.00 0.00 C ATOM 565 CG LYS A 37 149.823 12.871 -3.923 1.00 0.00 C ATOM 566 CD LYS A 37 149.927 14.396 -3.822 1.00 0.00 C ATOM 567 CE LYS A 37 149.290 14.881 -2.504 1.00 0.00 C ATOM 568 NZ LYS A 37 149.989 16.096 -2.031 1.00 0.00 N ATOM 0 H LYS A 37 149.534 10.078 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 37 151.548 11.080 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 37 150.231 11.969 -1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 37 151.569 12.903 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 37 150.076 12.547 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 37 148.797 12.555 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 37 150.973 14.701 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 37 149.425 14.860 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 37 148.232 15.094 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 37 149.351 14.097 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 149.558 16.421 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 150.993 15.878 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 149.909 16.844 -2.749 1.00 0.00 H new ATOM 582 N GLU A 38 152.656 10.211 -1.577 1.00 0.00 N ATOM 583 CA GLU A 38 153.919 9.913 -0.896 1.00 0.00 C ATOM 584 C GLU A 38 154.636 8.757 -1.590 1.00 0.00 C ATOM 585 O GLU A 38 155.835 8.758 -1.663 1.00 0.00 O ATOM 586 CB GLU A 38 153.741 9.696 0.613 1.00 0.00 C ATOM 587 CG GLU A 38 152.589 8.759 0.938 1.00 0.00 C ATOM 588 CD GLU A 38 152.191 8.956 2.375 1.00 0.00 C ATOM 589 OE1 GLU A 38 151.934 10.078 2.761 1.00 0.00 O ATOM 590 OE2 GLU A 38 152.195 8.000 3.087 1.00 0.00 O ATOM 0 H GLU A 38 151.807 10.065 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 38 154.561 10.790 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 38 154.663 9.290 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 38 153.570 10.658 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 38 151.743 8.961 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 38 152.885 7.724 0.767 1.00 0.00 H new ATOM 597 N TYR A 39 153.925 7.838 -2.217 1.00 0.00 N ATOM 598 CA TYR A 39 154.636 6.791 -3.010 1.00 0.00 C ATOM 599 C TYR A 39 155.441 7.403 -4.103 1.00 0.00 C ATOM 600 O TYR A 39 156.534 6.981 -4.366 1.00 0.00 O ATOM 601 CB TYR A 39 153.686 5.748 -3.632 1.00 0.00 C ATOM 602 CG TYR A 39 153.535 4.554 -2.739 1.00 0.00 C ATOM 603 CD1 TYR A 39 154.687 3.917 -2.263 1.00 0.00 C ATOM 604 CD2 TYR A 39 152.277 4.053 -2.417 1.00 0.00 C ATOM 605 CE1 TYR A 39 154.585 2.798 -1.472 1.00 0.00 C ATOM 606 CE2 TYR A 39 152.178 2.917 -1.611 1.00 0.00 C ATOM 607 CZ TYR A 39 153.340 2.295 -1.142 1.00 0.00 C ATOM 608 OH TYR A 39 153.267 1.183 -0.365 1.00 0.00 O ATOM 0 H TYR A 39 152.907 7.773 -2.211 1.00 0.00 H new ATOM 0 HA TYR A 39 155.284 6.280 -2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 39 152.710 6.200 -3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 39 154.071 5.434 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 39 155.661 4.307 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 39 151.386 4.538 -2.787 1.00 0.00 H new ATOM 0 HE1 TYR A 39 155.478 2.311 -1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 39 151.208 2.520 -1.351 1.00 0.00 H new ATOM 0 HH TYR A 39 152.650 1.344 0.379 1.00 0.00 H new ATOM 618 N LEU A 40 154.922 8.370 -4.760 1.00 0.00 N ATOM 619 CA LEU A 40 155.688 8.966 -5.884 1.00 0.00 C ATOM 620 C LEU A 40 156.989 9.509 -5.331 1.00 0.00 C ATOM 621 O LEU A 40 158.034 9.382 -5.942 1.00 0.00 O ATOM 622 CB LEU A 40 154.867 10.081 -6.560 1.00 0.00 C ATOM 623 CG LEU A 40 153.364 9.707 -6.573 1.00 0.00 C ATOM 624 CD1 LEU A 40 152.576 10.718 -7.389 1.00 0.00 C ATOM 625 CD2 LEU A 40 153.164 8.308 -7.174 1.00 0.00 C ATOM 0 H LEU A 40 154.006 8.782 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 40 155.898 8.211 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 40 155.010 11.021 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 40 155.220 10.235 -7.580 1.00 0.00 H new ATOM 0 HG LEU A 40 153.004 9.712 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 40 151.521 10.443 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 40 152.692 11.709 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 40 152.949 10.729 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 40 152.102 8.061 -7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 40 153.541 8.294 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 40 153.706 7.575 -6.577 1.00 0.00 H new ATOM 637 N GLU A 41 156.943 10.081 -4.171 1.00 0.00 N ATOM 638 CA GLU A 41 158.198 10.601 -3.556 1.00 0.00 C ATOM 639 C GLU A 41 159.012 9.416 -3.002 1.00 0.00 C ATOM 640 O GLU A 41 160.146 9.174 -3.397 1.00 0.00 O ATOM 641 CB GLU A 41 157.829 11.562 -2.422 1.00 0.00 C ATOM 642 CG GLU A 41 156.688 12.485 -2.881 1.00 0.00 C ATOM 643 CD GLU A 41 156.964 13.879 -2.419 1.00 0.00 C ATOM 644 OE1 GLU A 41 156.639 14.179 -1.312 1.00 0.00 O ATOM 645 OE2 GLU A 41 157.504 14.635 -3.179 1.00 0.00 O ATOM 0 H GLU A 41 156.097 10.214 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 41 158.796 11.130 -4.298 1.00 0.00 H new ATOM 0 HB2 GLU A 41 157.523 11.000 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 41 158.698 12.155 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 41 156.600 12.460 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 41 155.738 12.137 -2.476 1.00 0.00 H new ATOM 652 N LEU A 42 158.435 8.702 -2.084 1.00 0.00 N ATOM 653 CA LEU A 42 159.089 7.527 -1.434 1.00 0.00 C ATOM 654 C LEU A 42 159.726 6.655 -2.512 1.00 0.00 C ATOM 655 O LEU A 42 160.906 6.323 -2.453 1.00 0.00 O ATOM 656 CB LEU A 42 157.994 6.714 -0.696 1.00 0.00 C ATOM 657 CG LEU A 42 158.554 6.004 0.550 1.00 0.00 C ATOM 658 CD1 LEU A 42 159.703 5.078 0.186 1.00 0.00 C ATOM 659 CD2 LEU A 42 159.031 7.033 1.569 1.00 0.00 C ATOM 0 H LEU A 42 157.494 8.890 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 42 159.856 7.853 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 42 157.183 7.380 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 42 157.569 5.975 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 42 157.753 5.405 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 42 160.077 4.591 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 159.352 4.322 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 42 160.505 5.656 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 42 159.425 6.520 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 42 159.814 7.648 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 42 158.195 7.667 1.864 1.00 0.00 H new ATOM 671 N GLU A 43 158.957 6.282 -3.493 1.00 0.00 N ATOM 672 CA GLU A 43 159.490 5.435 -4.589 1.00 0.00 C ATOM 673 C GLU A 43 160.679 6.134 -5.207 1.00 0.00 C ATOM 674 O GLU A 43 161.732 5.562 -5.325 1.00 0.00 O ATOM 675 CB GLU A 43 158.415 5.193 -5.670 1.00 0.00 C ATOM 676 CG GLU A 43 157.446 4.075 -5.218 1.00 0.00 C ATOM 677 CD GLU A 43 157.112 3.172 -6.397 1.00 0.00 C ATOM 678 OE1 GLU A 43 156.891 3.677 -7.477 1.00 0.00 O ATOM 679 OE2 GLU A 43 157.076 1.973 -6.206 1.00 0.00 O ATOM 0 H GLU A 43 157.972 6.531 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 43 159.786 4.469 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 43 157.860 6.113 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 43 158.891 4.914 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 43 157.899 3.490 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 43 156.533 4.514 -4.815 1.00 0.00 H new ATOM 686 N LYS A 44 160.537 7.367 -5.596 1.00 0.00 N ATOM 687 CA LYS A 44 161.684 8.078 -6.201 1.00 0.00 C ATOM 688 C LYS A 44 162.869 8.024 -5.233 1.00 0.00 C ATOM 689 O LYS A 44 164.001 7.774 -5.633 1.00 0.00 O ATOM 690 CB LYS A 44 161.285 9.525 -6.490 1.00 0.00 C ATOM 691 CG LYS A 44 160.283 9.559 -7.665 1.00 0.00 C ATOM 692 CD LYS A 44 161.040 9.515 -9.008 1.00 0.00 C ATOM 693 CE LYS A 44 160.043 9.458 -10.184 1.00 0.00 C ATOM 694 NZ LYS A 44 158.867 8.617 -9.830 1.00 0.00 N ATOM 0 H LYS A 44 159.677 7.909 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 44 161.973 7.604 -7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 44 160.837 9.974 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 44 162.168 10.115 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 44 159.600 8.712 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 44 159.676 10.463 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 44 161.676 10.395 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 44 161.695 8.644 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 44 159.714 10.465 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 44 160.536 9.051 -11.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 158.338 8.379 -10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 159.191 7.742 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 158.248 9.142 -9.179 1.00 0.00 H new ATOM 708 N CYS A 45 162.614 8.183 -3.961 1.00 0.00 N ATOM 709 CA CYS A 45 163.703 8.087 -2.967 1.00 0.00 C ATOM 710 C CYS A 45 164.324 6.698 -3.047 1.00 0.00 C ATOM 711 O CYS A 45 165.500 6.557 -3.314 1.00 0.00 O ATOM 712 CB CYS A 45 163.143 8.314 -1.558 1.00 0.00 C ATOM 713 SG CYS A 45 162.096 9.790 -1.531 1.00 0.00 S ATOM 0 H CYS A 45 161.690 8.376 -3.574 1.00 0.00 H new ATOM 0 HA CYS A 45 164.457 8.845 -3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 45 162.566 7.444 -1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 45 163.962 8.427 -0.847 1.00 0.00 H new ATOM 0 HG CYS A 45 161.307 9.781 -2.564 1.00 0.00 H new ATOM 719 N LEU A 46 163.559 5.671 -2.786 1.00 0.00 N ATOM 720 CA LEU A 46 164.146 4.289 -2.805 1.00 0.00 C ATOM 721 C LEU A 46 164.758 4.008 -4.172 1.00 0.00 C ATOM 722 O LEU A 46 165.776 3.383 -4.274 1.00 0.00 O ATOM 723 CB LEU A 46 163.084 3.216 -2.457 1.00 0.00 C ATOM 724 CG LEU A 46 163.783 1.876 -2.071 1.00 0.00 C ATOM 725 CD1 LEU A 46 164.608 2.040 -0.800 1.00 0.00 C ATOM 726 CD2 LEU A 46 162.744 0.784 -1.814 1.00 0.00 C ATOM 0 H LEU A 46 162.565 5.722 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 46 164.925 4.239 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 46 162.463 3.562 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 46 162.423 3.058 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 46 164.430 1.598 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 46 165.086 1.092 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 46 165.372 2.801 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 46 163.957 2.344 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 46 163.250 -0.144 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 46 162.090 1.089 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 46 162.151 0.627 -2.715 1.00 0.00 H new ATOM 738 N SER A 47 164.170 4.499 -5.206 1.00 0.00 N ATOM 739 CA SER A 47 164.730 4.284 -6.560 1.00 0.00 C ATOM 740 C SER A 47 166.114 4.933 -6.635 1.00 0.00 C ATOM 741 O SER A 47 167.096 4.309 -7.032 1.00 0.00 O ATOM 742 CB SER A 47 163.799 4.906 -7.597 1.00 0.00 C ATOM 743 OG SER A 47 162.452 4.523 -7.310 1.00 0.00 O ATOM 0 H SER A 47 163.312 5.049 -5.177 1.00 0.00 H new ATOM 0 HA SER A 47 164.822 3.217 -6.763 1.00 0.00 H new ATOM 0 HB2 SER A 47 163.892 5.992 -7.582 1.00 0.00 H new ATOM 0 HB3 SER A 47 164.078 4.576 -8.598 1.00 0.00 H new ATOM 0 HG SER A 47 162.057 5.163 -6.682 1.00 0.00 H new ATOM 749 N ARG A 48 166.217 6.168 -6.243 1.00 0.00 N ATOM 750 CA ARG A 48 167.545 6.847 -6.261 1.00 0.00 C ATOM 751 C ARG A 48 168.461 6.115 -5.293 1.00 0.00 C ATOM 752 O ARG A 48 169.617 5.819 -5.596 1.00 0.00 O ATOM 753 CB ARG A 48 167.379 8.306 -5.802 1.00 0.00 C ATOM 754 CG ARG A 48 166.938 9.181 -6.990 1.00 0.00 C ATOM 755 CD ARG A 48 167.592 10.575 -6.891 1.00 0.00 C ATOM 756 NE ARG A 48 167.579 11.060 -5.462 1.00 0.00 N ATOM 757 CZ ARG A 48 166.457 11.484 -4.912 1.00 0.00 C ATOM 758 NH1 ARG A 48 165.353 11.475 -5.611 1.00 0.00 N ATOM 759 NH2 ARG A 48 166.459 11.921 -3.680 1.00 0.00 N ATOM 0 H ARG A 48 165.441 6.740 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 48 167.965 6.835 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 48 166.640 8.363 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 48 168.319 8.678 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 48 167.221 8.704 -7.928 1.00 0.00 H new ATOM 0 HG3 ARG A 48 165.852 9.279 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 48 168.618 10.530 -7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 48 167.057 11.281 -7.527 1.00 0.00 H new ATOM 0 HE ARG A 48 168.442 11.060 -4.918 1.00 0.00 H new ATOM 0 HH11 ARG A 48 165.362 11.142 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 48 164.482 11.801 -5.193 1.00 0.00 H new ATOM 0 HH21 ARG A 48 167.327 11.934 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 48 165.592 12.249 -3.254 1.00 0.00 H new ATOM 773 N MET A 49 167.973 5.840 -4.130 1.00 0.00 N ATOM 774 CA MET A 49 168.790 5.171 -3.115 1.00 0.00 C ATOM 775 C MET A 49 169.083 3.729 -3.527 1.00 0.00 C ATOM 776 O MET A 49 169.963 3.106 -2.973 1.00 0.00 O ATOM 777 CB MET A 49 168.078 5.237 -1.762 1.00 0.00 C ATOM 778 CG MET A 49 168.154 6.689 -1.245 1.00 0.00 C ATOM 779 SD MET A 49 166.983 6.950 0.108 1.00 0.00 S ATOM 780 CE MET A 49 167.754 5.847 1.311 1.00 0.00 C ATOM 0 H MET A 49 167.020 6.058 -3.838 1.00 0.00 H new ATOM 0 HA MET A 49 169.748 5.683 -3.025 1.00 0.00 H new ATOM 0 HB2 MET A 49 167.039 4.924 -1.864 1.00 0.00 H new ATOM 0 HB3 MET A 49 168.548 4.556 -1.052 1.00 0.00 H new ATOM 0 HG2 MET A 49 169.166 6.906 -0.903 1.00 0.00 H new ATOM 0 HG3 MET A 49 167.937 7.381 -2.058 1.00 0.00 H new ATOM 0 HE1 MET A 49 167.032 5.593 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 49 168.085 4.937 0.811 1.00 0.00 H new ATOM 0 HE3 MET A 49 168.612 6.344 1.763 1.00 0.00 H new ATOM 790 N GLU A 50 168.409 3.215 -4.525 1.00 0.00 N ATOM 791 CA GLU A 50 168.730 1.848 -5.024 1.00 0.00 C ATOM 792 C GLU A 50 169.983 1.964 -5.853 1.00 0.00 C ATOM 793 O GLU A 50 170.944 1.234 -5.669 1.00 0.00 O ATOM 794 CB GLU A 50 167.592 1.318 -5.883 1.00 0.00 C ATOM 795 CG GLU A 50 166.580 0.554 -5.011 1.00 0.00 C ATOM 796 CD GLU A 50 166.611 -0.902 -5.369 1.00 0.00 C ATOM 797 OE1 GLU A 50 167.614 -1.518 -5.159 1.00 0.00 O ATOM 798 OE2 GLU A 50 165.644 -1.387 -5.874 1.00 0.00 O ATOM 0 H GLU A 50 167.649 3.686 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 50 168.871 1.159 -4.192 1.00 0.00 H new ATOM 0 HB2 GLU A 50 167.095 2.144 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 50 167.987 0.659 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 50 166.821 0.685 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 50 165.578 0.955 -5.162 1.00 0.00 H new ATOM 805 N ASP A 51 170.028 2.961 -6.695 1.00 0.00 N ATOM 806 CA ASP A 51 171.261 3.238 -7.469 1.00 0.00 C ATOM 807 C ASP A 51 172.410 3.414 -6.514 1.00 0.00 C ATOM 808 O ASP A 51 173.494 2.854 -6.713 1.00 0.00 O ATOM 809 CB ASP A 51 171.101 4.516 -8.300 1.00 0.00 C ATOM 810 CG ASP A 51 170.592 4.196 -9.676 1.00 0.00 C ATOM 811 OD1 ASP A 51 171.328 3.588 -10.417 1.00 0.00 O ATOM 812 OD2 ASP A 51 169.509 4.580 -9.991 1.00 0.00 O ATOM 0 H ASP A 51 169.253 3.599 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 51 171.450 2.402 -8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 51 170.411 5.196 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 51 172.059 5.031 -8.372 1.00 0.00 H new ATOM 817 N GLU A 52 172.209 4.209 -5.507 1.00 0.00 N ATOM 818 CA GLU A 52 173.275 4.451 -4.525 1.00 0.00 C ATOM 819 C GLU A 52 173.568 3.161 -3.807 1.00 0.00 C ATOM 820 O GLU A 52 174.656 2.696 -3.822 1.00 0.00 O ATOM 821 CB GLU A 52 172.831 5.505 -3.509 1.00 0.00 C ATOM 822 CG GLU A 52 172.794 6.876 -4.178 1.00 0.00 C ATOM 823 CD GLU A 52 174.145 7.538 -4.044 1.00 0.00 C ATOM 824 OE1 GLU A 52 174.360 8.192 -3.059 1.00 0.00 O ATOM 825 OE2 GLU A 52 174.942 7.391 -4.932 1.00 0.00 O ATOM 0 H GLU A 52 171.336 4.705 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 52 174.166 4.812 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 52 171.846 5.254 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 52 173.517 5.521 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 52 172.531 6.772 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 52 172.026 7.497 -3.717 1.00 0.00 H new ATOM 832 N ASN A 53 172.578 2.564 -3.205 1.00 0.00 N ATOM 833 CA ASN A 53 172.789 1.279 -2.480 1.00 0.00 C ATOM 834 C ASN A 53 173.590 0.343 -3.354 1.00 0.00 C ATOM 835 O ASN A 53 174.534 -0.275 -2.921 1.00 0.00 O ATOM 836 CB ASN A 53 171.419 0.652 -2.149 1.00 0.00 C ATOM 837 CG ASN A 53 170.968 1.142 -0.784 1.00 0.00 C ATOM 838 OD1 ASN A 53 170.270 2.206 -0.696 1.00 0.00 O flip ATOM 839 ND2 ASN A 53 171.274 0.548 0.219 1.00 0.00 N flip ATOM 0 H ASN A 53 171.621 2.915 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 53 173.333 1.458 -1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 53 170.686 0.926 -2.908 1.00 0.00 H new ATOM 0 HB3 ASN A 53 171.492 -0.436 -2.154 1.00 0.00 H new ATOM 0 HD21 ASN A 53 171.832 -0.304 0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 53 170.975 0.897 1.130 1.00 0.00 H new ATOM 846 N ASN A 54 173.221 0.248 -4.593 1.00 0.00 N ATOM 847 CA ASN A 54 173.941 -0.643 -5.543 1.00 0.00 C ATOM 848 C ASN A 54 175.403 -0.215 -5.608 1.00 0.00 C ATOM 849 O ASN A 54 176.313 -0.976 -5.309 1.00 0.00 O ATOM 850 CB ASN A 54 173.345 -0.485 -6.950 1.00 0.00 C ATOM 851 CG ASN A 54 172.180 -1.432 -7.190 1.00 0.00 C ATOM 852 OD1 ASN A 54 171.670 -2.057 -6.280 1.00 0.00 O ATOM 853 ND2 ASN A 54 171.709 -1.555 -8.381 1.00 0.00 N ATOM 0 H ASN A 54 172.437 0.758 -4.999 1.00 0.00 H new ATOM 0 HA ASN A 54 173.849 -1.676 -5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 54 173.010 0.543 -7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 54 174.120 -0.669 -7.694 1.00 0.00 H new ATOM 0 HD21 ASN A 54 170.916 -2.172 -8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 54 172.129 -1.035 -9.152 1.00 0.00 H new ATOM 860 N ARG A 55 175.631 0.995 -6.033 1.00 0.00 N ATOM 861 CA ARG A 55 177.014 1.498 -6.208 1.00 0.00 C ATOM 862 C ARG A 55 177.699 1.535 -4.861 1.00 0.00 C ATOM 863 O ARG A 55 178.683 0.879 -4.648 1.00 0.00 O ATOM 864 CB ARG A 55 176.967 2.924 -6.814 1.00 0.00 C ATOM 865 CG ARG A 55 176.814 2.888 -8.360 1.00 0.00 C ATOM 866 CD ARG A 55 175.912 1.723 -8.821 1.00 0.00 C ATOM 867 NE ARG A 55 175.319 2.038 -10.157 1.00 0.00 N ATOM 868 CZ ARG A 55 174.149 2.623 -10.255 1.00 0.00 C ATOM 869 NH1 ARG A 55 173.555 3.076 -9.201 1.00 0.00 N ATOM 870 NH2 ARG A 55 173.590 2.781 -11.412 1.00 0.00 N ATOM 0 H ARG A 55 174.901 1.667 -6.270 1.00 0.00 H new ATOM 0 HA ARG A 55 177.568 0.841 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 55 176.134 3.477 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 55 177.878 3.461 -6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 55 176.393 3.832 -8.705 1.00 0.00 H new ATOM 0 HG3 ARG A 55 177.797 2.790 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 55 176.493 0.802 -8.879 1.00 0.00 H new ATOM 0 HD3 ARG A 55 175.119 1.554 -8.092 1.00 0.00 H new ATOM 0 HE ARG A 55 175.832 1.794 -11.004 1.00 0.00 H new ATOM 0 HH11 ARG A 55 173.996 2.980 -8.286 1.00 0.00 H new ATOM 0 HH12 ARG A 55 172.645 3.530 -9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 55 174.059 2.450 -12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 55 172.680 3.237 -11.481 1.00 0.00 H new ATOM 884 N LEU A 56 177.208 2.352 -3.985 1.00 0.00 N ATOM 885 CA LEU A 56 177.810 2.548 -2.647 1.00 0.00 C ATOM 886 C LEU A 56 178.407 1.275 -2.114 1.00 0.00 C ATOM 887 O LEU A 56 179.542 1.253 -1.713 1.00 0.00 O ATOM 888 CB LEU A 56 176.714 2.999 -1.671 1.00 0.00 C ATOM 889 CG LEU A 56 176.596 4.532 -1.701 1.00 0.00 C ATOM 890 CD1 LEU A 56 175.371 4.976 -0.900 1.00 0.00 C ATOM 891 CD2 LEU A 56 177.859 5.155 -1.081 1.00 0.00 C ATOM 0 H LEU A 56 176.375 2.918 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 56 178.598 3.295 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 56 175.761 2.545 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 56 176.950 2.662 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 56 176.490 4.862 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 56 175.294 6.063 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 56 174.473 4.538 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 56 175.472 4.644 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 56 177.776 6.242 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 56 177.962 4.819 -0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 56 178.735 4.847 -1.652 1.00 0.00 H new ATOM 903 N ARG A 57 177.637 0.226 -2.039 1.00 0.00 N ATOM 904 CA ARG A 57 178.172 -1.021 -1.497 1.00 0.00 C ATOM 905 C ARG A 57 179.310 -1.513 -2.372 1.00 0.00 C ATOM 906 O ARG A 57 180.365 -1.858 -1.878 1.00 0.00 O ATOM 907 CB ARG A 57 177.081 -2.082 -1.417 1.00 0.00 C ATOM 908 CG ARG A 57 176.256 -1.842 -0.145 1.00 0.00 C ATOM 909 CD ARG A 57 174.815 -1.563 -0.522 1.00 0.00 C ATOM 910 NE ARG A 57 173.917 -1.829 0.639 1.00 0.00 N ATOM 911 CZ ARG A 57 172.655 -2.151 0.460 1.00 0.00 C ATOM 912 NH1 ARG A 57 172.171 -2.263 -0.746 1.00 0.00 N ATOM 913 NH2 ARG A 57 171.899 -2.347 1.493 1.00 0.00 N ATOM 0 H ARG A 57 176.661 0.193 -2.334 1.00 0.00 H new ATOM 0 HA ARG A 57 178.546 -0.833 -0.490 1.00 0.00 H new ATOM 0 HB2 ARG A 57 176.441 -2.033 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 57 177.523 -3.078 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 57 176.310 -2.714 0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 57 176.666 -1.001 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 57 174.710 -0.526 -0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 57 174.525 -2.189 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 57 174.288 -1.760 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 57 172.772 -2.101 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 57 171.191 -2.513 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 57 172.284 -2.251 2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 57 170.918 -2.597 1.367 1.00 0.00 H new ATOM 927 N LEU A 58 179.136 -1.528 -3.663 1.00 0.00 N ATOM 928 CA LEU A 58 180.219 -2.021 -4.532 1.00 0.00 C ATOM 929 C LEU A 58 181.430 -1.111 -4.364 1.00 0.00 C ATOM 930 O LEU A 58 182.516 -1.562 -4.017 1.00 0.00 O ATOM 931 CB LEU A 58 179.746 -2.064 -5.977 1.00 0.00 C ATOM 932 CG LEU A 58 178.477 -2.937 -6.094 1.00 0.00 C ATOM 933 CD1 LEU A 58 177.753 -2.637 -7.410 1.00 0.00 C ATOM 934 CD2 LEU A 58 178.851 -4.426 -6.049 1.00 0.00 C ATOM 0 H LEU A 58 178.292 -1.220 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 58 180.501 -3.036 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 58 179.536 -1.054 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 58 180.534 -2.466 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 58 177.819 -2.705 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 58 176.860 -3.257 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 58 177.468 -1.585 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 58 178.416 -2.855 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 58 177.948 -5.031 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 58 179.521 -4.658 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 58 179.350 -4.647 -5.106 1.00 0.00 H new ATOM 946 N GLU A 59 181.249 0.150 -4.558 1.00 0.00 N ATOM 947 CA GLU A 59 182.344 1.124 -4.376 1.00 0.00 C ATOM 948 C GLU A 59 182.974 0.900 -3.004 1.00 0.00 C ATOM 949 O GLU A 59 184.160 0.690 -2.873 1.00 0.00 O ATOM 950 CB GLU A 59 181.724 2.526 -4.423 1.00 0.00 C ATOM 951 CG GLU A 59 180.940 2.715 -5.738 1.00 0.00 C ATOM 952 CD GLU A 59 181.678 3.672 -6.623 1.00 0.00 C ATOM 953 OE1 GLU A 59 182.555 3.243 -7.315 1.00 0.00 O ATOM 954 OE2 GLU A 59 181.361 4.824 -6.591 1.00 0.00 O ATOM 0 H GLU A 59 180.361 0.562 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 59 183.104 1.012 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 59 181.059 2.667 -3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 59 182.506 3.281 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 59 180.817 1.757 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 59 179.940 3.094 -5.527 1.00 0.00 H new ATOM 961 N SER A 60 182.166 0.929 -1.999 1.00 0.00 N ATOM 962 CA SER A 60 182.635 0.719 -0.620 1.00 0.00 C ATOM 963 C SER A 60 183.378 -0.615 -0.547 1.00 0.00 C ATOM 964 O SER A 60 184.516 -0.690 -0.089 1.00 0.00 O ATOM 965 CB SER A 60 181.398 0.685 0.311 1.00 0.00 C ATOM 966 OG SER A 60 181.779 0.380 1.655 1.00 0.00 O ATOM 0 H SER A 60 181.163 1.096 -2.081 1.00 0.00 H new ATOM 0 HA SER A 60 183.308 1.520 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 60 180.890 1.649 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 60 180.688 -0.060 -0.048 1.00 0.00 H new ATOM 0 HG SER A 60 180.982 0.366 2.226 1.00 0.00 H new ATOM 972 N LYS A 61 182.750 -1.690 -0.992 1.00 0.00 N ATOM 973 CA LYS A 61 183.430 -3.018 -0.907 1.00 0.00 C ATOM 974 C LYS A 61 184.715 -2.945 -1.716 1.00 0.00 C ATOM 975 O LYS A 61 185.704 -3.595 -1.401 1.00 0.00 O ATOM 976 CB LYS A 61 182.555 -4.137 -1.473 1.00 0.00 C ATOM 977 CG LYS A 61 181.254 -4.304 -0.664 1.00 0.00 C ATOM 978 CD LYS A 61 180.143 -4.853 -1.603 1.00 0.00 C ATOM 979 CE LYS A 61 179.425 -6.059 -0.974 1.00 0.00 C ATOM 980 NZ LYS A 61 180.403 -6.933 -0.276 1.00 0.00 N ATOM 0 H LYS A 61 181.816 -1.699 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 61 183.629 -3.242 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 61 182.312 -3.919 -2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 61 183.112 -5.074 -1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 61 181.414 -4.987 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 61 180.949 -3.348 -0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 61 179.419 -4.065 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 61 180.582 -5.145 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 61 178.668 -5.714 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 61 178.907 -6.626 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 180.087 -7.922 -0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 181.335 -6.841 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 180.473 -6.648 0.722 1.00 0.00 H new ATOM 994 N ARG A 62 184.697 -2.219 -2.795 1.00 0.00 N ATOM 995 CA ARG A 62 185.888 -2.130 -3.658 1.00 0.00 C ATOM 996 C ARG A 62 186.764 -0.965 -3.224 1.00 0.00 C ATOM 997 O ARG A 62 187.662 -0.559 -3.945 1.00 0.00 O ATOM 998 CB ARG A 62 185.502 -2.023 -5.133 1.00 0.00 C ATOM 999 CG ARG A 62 184.884 -3.347 -5.598 1.00 0.00 C ATOM 1000 CD ARG A 62 185.982 -4.416 -5.759 1.00 0.00 C ATOM 1001 NE ARG A 62 186.884 -4.060 -6.910 1.00 0.00 N ATOM 1002 CZ ARG A 62 188.059 -3.454 -6.735 1.00 0.00 C ATOM 1003 NH1 ARG A 62 188.488 -3.165 -5.532 1.00 0.00 N ATOM 1004 NH2 ARG A 62 188.791 -3.168 -7.771 1.00 0.00 N ATOM 0 H ARG A 62 183.893 -1.678 -3.114 1.00 0.00 H new ATOM 0 HA ARG A 62 186.463 -3.049 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 62 184.792 -1.208 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 62 186.381 -1.789 -5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 62 184.141 -3.684 -4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 62 184.365 -3.202 -6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 62 186.564 -4.492 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 62 185.528 -5.392 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 62 186.586 -4.290 -7.858 1.00 0.00 H new ATOM 0 HH11 ARG A 62 187.922 -3.404 -4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 62 189.388 -2.701 -5.409 1.00 0.00 H new ATOM 0 HH21 ARG A 62 188.465 -3.407 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 62 189.691 -2.705 -7.647 1.00 0.00 H new ATOM 1018 N LEU A 63 186.600 -0.513 -2.020 1.00 0.00 N ATOM 1019 CA LEU A 63 187.494 0.501 -1.458 1.00 0.00 C ATOM 1020 C LEU A 63 188.285 -0.189 -0.362 1.00 0.00 C ATOM 1021 O LEU A 63 187.708 -0.847 0.494 1.00 0.00 O ATOM 1022 CB LEU A 63 186.682 1.657 -0.880 1.00 0.00 C ATOM 1023 CG LEU A 63 186.456 2.729 -1.966 1.00 0.00 C ATOM 1024 CD1 LEU A 63 185.210 3.562 -1.643 1.00 0.00 C ATOM 1025 CD2 LEU A 63 187.680 3.655 -2.054 1.00 0.00 C ATOM 0 H LEU A 63 185.858 -0.819 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 63 188.154 0.915 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 63 185.724 1.292 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 63 187.206 2.092 -0.029 1.00 0.00 H new ATOM 0 HG LEU A 63 186.311 2.226 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 63 185.064 4.314 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 63 184.337 2.910 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 63 185.342 4.055 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 63 187.512 4.409 -2.823 1.00 0.00 H new ATOM 0 HD22 LEU A 63 187.835 4.146 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 63 188.563 3.068 -2.308 1.00 0.00 H new ATOM 2083 N HIS B 23 149.705 7.671 -14.891 1.00 0.00 N ATOM 2084 CA HIS B 23 150.796 6.670 -14.554 1.00 0.00 C ATOM 2085 C HIS B 23 150.532 6.234 -13.130 1.00 0.00 C ATOM 2086 O HIS B 23 150.227 5.089 -12.840 1.00 0.00 O ATOM 2087 CB HIS B 23 152.202 7.316 -14.655 1.00 0.00 C ATOM 2088 CG HIS B 23 152.256 8.238 -15.840 1.00 0.00 C ATOM 2089 ND1 HIS B 23 152.069 7.786 -17.133 1.00 0.00 N ATOM 2090 CD2 HIS B 23 152.455 9.588 -15.941 1.00 0.00 C ATOM 2091 CE1 HIS B 23 152.159 8.849 -17.951 1.00 0.00 C ATOM 2092 NE2 HIS B 23 152.392 9.972 -17.272 1.00 0.00 N ATOM 0 HA HIS B 23 150.781 5.832 -15.251 1.00 0.00 H new ATOM 0 HB2 HIS B 23 152.424 7.869 -13.742 1.00 0.00 H new ATOM 0 HB3 HIS B 23 152.962 6.541 -14.751 1.00 0.00 H new ATOM 0 HD2 HIS B 23 152.634 10.254 -15.110 1.00 0.00 H new ATOM 0 HE1 HIS B 23 152.055 8.799 -19.025 1.00 0.00 H new ATOM 0 HE2 HIS B 23 152.501 10.913 -17.651 1.00 0.00 H new ATOM 2101 N THR B 24 150.485 7.197 -12.288 1.00 0.00 N ATOM 2102 CA THR B 24 150.074 7.056 -10.888 1.00 0.00 C ATOM 2103 C THR B 24 148.827 6.175 -10.829 1.00 0.00 C ATOM 2104 O THR B 24 148.615 5.457 -9.868 1.00 0.00 O ATOM 2105 CB THR B 24 149.697 8.457 -10.420 1.00 0.00 C ATOM 2106 OG1 THR B 24 150.594 9.421 -11.009 1.00 0.00 O ATOM 2107 CG2 THR B 24 149.737 8.554 -8.894 1.00 0.00 C ATOM 0 H THR B 24 150.736 8.154 -12.536 1.00 0.00 H new ATOM 0 HA THR B 24 150.861 6.615 -10.276 1.00 0.00 H new ATOM 0 HB THR B 24 148.678 8.670 -10.741 1.00 0.00 H new ATOM 0 HG1 THR B 24 150.154 9.855 -11.770 1.00 0.00 H new ATOM 0 HG21 THR B 24 149.464 9.563 -8.586 1.00 0.00 H new ATOM 0 HG22 THR B 24 149.033 7.841 -8.466 1.00 0.00 H new ATOM 0 HG23 THR B 24 150.743 8.327 -8.541 1.00 0.00 H new ATOM 2115 N GLU B 25 148.022 6.225 -11.864 1.00 0.00 N ATOM 2116 CA GLU B 25 146.789 5.424 -11.941 1.00 0.00 C ATOM 2117 C GLU B 25 146.995 4.102 -11.250 1.00 0.00 C ATOM 2118 O GLU B 25 146.219 3.734 -10.393 1.00 0.00 O ATOM 2119 CB GLU B 25 146.538 5.156 -13.431 1.00 0.00 C ATOM 2120 CG GLU B 25 146.121 6.476 -14.099 1.00 0.00 C ATOM 2121 CD GLU B 25 146.469 6.438 -15.555 1.00 0.00 C ATOM 2122 OE1 GLU B 25 147.561 6.801 -15.888 1.00 0.00 O ATOM 2123 OE2 GLU B 25 145.644 6.031 -16.317 1.00 0.00 O ATOM 0 H GLU B 25 148.188 6.814 -12.680 1.00 0.00 H new ATOM 0 HA GLU B 25 145.957 5.946 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU B 25 147.438 4.761 -13.902 1.00 0.00 H new ATOM 0 HB3 GLU B 25 145.757 4.405 -13.555 1.00 0.00 H new ATOM 0 HG2 GLU B 25 145.050 6.634 -13.975 1.00 0.00 H new ATOM 0 HG3 GLU B 25 146.625 7.314 -13.617 1.00 0.00 H new ATOM 2130 N SER B 26 147.970 3.352 -11.650 1.00 0.00 N ATOM 2131 CA SER B 26 148.201 2.016 -11.019 1.00 0.00 C ATOM 2132 C SER B 26 148.087 2.138 -9.490 1.00 0.00 C ATOM 2133 O SER B 26 147.403 1.364 -8.856 1.00 0.00 O ATOM 2134 CB SER B 26 149.573 1.481 -11.414 1.00 0.00 C ATOM 2135 OG SER B 26 150.132 2.335 -12.440 1.00 0.00 O ATOM 0 H SER B 26 148.626 3.600 -12.391 1.00 0.00 H new ATOM 0 HA SER B 26 147.444 1.315 -11.372 1.00 0.00 H new ATOM 0 HB2 SER B 26 150.231 1.454 -10.546 1.00 0.00 H new ATOM 0 HB3 SER B 26 149.487 0.458 -11.780 1.00 0.00 H new ATOM 0 HG SER B 26 151.016 2.000 -12.699 1.00 0.00 H new ATOM 2141 N LEU B 27 148.645 3.164 -8.920 1.00 0.00 N ATOM 2142 CA LEU B 27 148.514 3.368 -7.467 1.00 0.00 C ATOM 2143 C LEU B 27 147.048 3.630 -7.131 1.00 0.00 C ATOM 2144 O LEU B 27 146.492 3.028 -6.233 1.00 0.00 O ATOM 2145 CB LEU B 27 149.376 4.559 -7.044 1.00 0.00 C ATOM 2146 CG LEU B 27 150.864 4.193 -7.142 1.00 0.00 C ATOM 2147 CD1 LEU B 27 151.716 5.467 -7.207 1.00 0.00 C ATOM 2148 CD2 LEU B 27 151.280 3.367 -5.919 1.00 0.00 C ATOM 0 H LEU B 27 149.191 3.874 -9.409 1.00 0.00 H new ATOM 0 HA LEU B 27 148.851 2.480 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU B 27 149.162 5.417 -7.681 1.00 0.00 H new ATOM 0 HB3 LEU B 27 149.131 4.851 -6.023 1.00 0.00 H new ATOM 0 HG LEU B 27 151.021 3.607 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU B 27 152.770 5.197 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU B 27 151.432 6.050 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU B 27 151.552 6.061 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU B 27 152.337 3.111 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU B 27 151.112 3.949 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU B 27 150.687 2.453 -5.878 1.00 0.00 H new ATOM 2160 N GLN B 28 146.388 4.478 -7.876 1.00 0.00 N ATOM 2161 CA GLN B 28 144.951 4.706 -7.643 1.00 0.00 C ATOM 2162 C GLN B 28 144.187 3.439 -7.974 1.00 0.00 C ATOM 2163 O GLN B 28 143.162 3.160 -7.364 1.00 0.00 O ATOM 2164 CB GLN B 28 144.431 5.862 -8.503 1.00 0.00 C ATOM 2165 CG GLN B 28 145.128 7.151 -8.100 1.00 0.00 C ATOM 2166 CD GLN B 28 146.438 7.260 -8.810 1.00 0.00 C ATOM 2167 OE1 GLN B 28 147.484 6.849 -8.216 1.00 0.00 O flip ATOM 2168 NE2 GLN B 28 146.514 7.727 -9.910 1.00 0.00 N flip ATOM 0 H GLN B 28 146.795 5.021 -8.638 1.00 0.00 H new ATOM 0 HA GLN B 28 144.804 4.969 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN B 28 144.611 5.654 -9.558 1.00 0.00 H new ATOM 0 HB3 GLN B 28 143.353 5.965 -8.378 1.00 0.00 H new ATOM 0 HG2 GLN B 28 144.499 8.007 -8.344 1.00 0.00 H new ATOM 0 HG3 GLN B 28 145.286 7.168 -7.022 1.00 0.00 H new ATOM 0 HE21 GLN B 28 145.673 8.056 -10.384 1.00 0.00 H new ATOM 0 HE22 GLN B 28 147.420 7.796 -10.373 1.00 0.00 H new ATOM 2177 N ASN B 29 144.627 2.691 -8.936 1.00 0.00 N ATOM 2178 CA ASN B 29 143.864 1.479 -9.326 1.00 0.00 C ATOM 2179 C ASN B 29 144.095 0.393 -8.282 1.00 0.00 C ATOM 2180 O ASN B 29 143.551 -0.690 -8.379 1.00 0.00 O ATOM 2181 CB ASN B 29 144.311 0.992 -10.698 1.00 0.00 C ATOM 2182 CG ASN B 29 143.676 1.839 -11.789 1.00 0.00 C ATOM 2183 OD1 ASN B 29 142.913 1.336 -12.602 1.00 0.00 O ATOM 2184 ND2 ASN B 29 143.950 3.100 -11.858 1.00 0.00 N ATOM 0 H ASN B 29 145.479 2.863 -9.470 1.00 0.00 H new ATOM 0 HA ASN B 29 142.802 1.718 -9.378 1.00 0.00 H new ATOM 0 HB2 ASN B 29 145.397 1.043 -10.774 1.00 0.00 H new ATOM 0 HB3 ASN B 29 144.031 -0.053 -10.830 1.00 0.00 H new ATOM 0 HD21 ASN B 29 143.530 3.674 -12.589 1.00 0.00 H new ATOM 0 HD22 ASN B 29 144.586 3.521 -11.181 1.00 0.00 H new ATOM 2191 N MET B 30 144.927 0.654 -7.306 1.00 0.00 N ATOM 2192 CA MET B 30 145.223 -0.358 -6.277 1.00 0.00 C ATOM 2193 C MET B 30 144.336 -0.128 -5.073 1.00 0.00 C ATOM 2194 O MET B 30 143.872 0.986 -4.827 1.00 0.00 O ATOM 2195 CB MET B 30 146.679 -0.221 -5.833 1.00 0.00 C ATOM 2196 CG MET B 30 147.612 -0.722 -6.939 1.00 0.00 C ATOM 2197 SD MET B 30 148.569 -2.111 -6.309 1.00 0.00 S ATOM 2198 CE MET B 30 149.537 -1.173 -5.106 1.00 0.00 C ATOM 0 H MET B 30 145.415 1.542 -7.187 1.00 0.00 H new ATOM 0 HA MET B 30 145.046 -1.350 -6.692 1.00 0.00 H new ATOM 0 HB2 MET B 30 146.901 0.821 -5.602 1.00 0.00 H new ATOM 0 HB3 MET B 30 146.845 -0.792 -4.919 1.00 0.00 H new ATOM 0 HG2 MET B 30 147.033 -1.027 -7.811 1.00 0.00 H new ATOM 0 HG3 MET B 30 148.277 0.079 -7.262 1.00 0.00 H new ATOM 0 HE1 MET B 30 150.599 -1.323 -5.298 1.00 0.00 H new ATOM 0 HE2 MET B 30 149.298 -0.113 -5.194 1.00 0.00 H new ATOM 0 HE3 MET B 30 149.298 -1.516 -4.100 1.00 0.00 H new ATOM 2208 N SER B 31 144.125 -1.122 -4.306 1.00 0.00 N ATOM 2209 CA SER B 31 143.280 -0.981 -3.103 1.00 0.00 C ATOM 2210 C SER B 31 144.175 -0.545 -1.944 1.00 0.00 C ATOM 2211 O SER B 31 145.371 -0.824 -1.920 1.00 0.00 O ATOM 2212 CB SER B 31 142.631 -2.334 -2.800 1.00 0.00 C ATOM 2213 OG SER B 31 142.533 -3.097 -4.021 1.00 0.00 O ATOM 0 H SER B 31 144.507 -2.056 -4.455 1.00 0.00 H new ATOM 0 HA SER B 31 142.496 -0.239 -3.255 1.00 0.00 H new ATOM 0 HB2 SER B 31 143.223 -2.878 -2.064 1.00 0.00 H new ATOM 0 HB3 SER B 31 141.641 -2.187 -2.368 1.00 0.00 H new ATOM 0 HG SER B 31 143.406 -3.490 -4.232 1.00 0.00 H new ATOM 2219 N LYS B 32 143.649 0.229 -1.047 1.00 0.00 N ATOM 2220 CA LYS B 32 144.486 0.789 0.047 1.00 0.00 C ATOM 2221 C LYS B 32 145.224 -0.320 0.787 1.00 0.00 C ATOM 2222 O LYS B 32 146.384 -0.177 1.108 1.00 0.00 O ATOM 2223 CB LYS B 32 143.619 1.604 1.031 1.00 0.00 C ATOM 2224 CG LYS B 32 144.331 2.938 1.371 1.00 0.00 C ATOM 2225 CD LYS B 32 143.318 3.970 1.893 1.00 0.00 C ATOM 2226 CE LYS B 32 142.913 3.646 3.345 1.00 0.00 C ATOM 2227 NZ LYS B 32 142.467 4.881 4.035 1.00 0.00 N ATOM 0 H LYS B 32 142.667 0.502 -1.022 1.00 0.00 H new ATOM 0 HA LYS B 32 145.225 1.454 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS B 32 142.642 1.804 0.591 1.00 0.00 H new ATOM 0 HB3 LYS B 32 143.447 1.030 1.941 1.00 0.00 H new ATOM 0 HG2 LYS B 32 145.102 2.765 2.121 1.00 0.00 H new ATOM 0 HG3 LYS B 32 144.831 3.327 0.484 1.00 0.00 H new ATOM 0 HD2 LYS B 32 143.751 4.969 1.845 1.00 0.00 H new ATOM 0 HD3 LYS B 32 142.434 3.975 1.255 1.00 0.00 H new ATOM 0 HE2 LYS B 32 142.112 2.907 3.351 1.00 0.00 H new ATOM 0 HE3 LYS B 32 143.757 3.207 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 142.553 4.754 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 143.060 5.680 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 141.475 5.076 3.792 1.00 0.00 H new ATOM 2241 N GLN B 33 144.587 -1.425 1.050 1.00 0.00 N ATOM 2242 CA GLN B 33 145.291 -2.517 1.792 1.00 0.00 C ATOM 2243 C GLN B 33 146.571 -2.894 1.050 1.00 0.00 C ATOM 2244 O GLN B 33 147.610 -3.128 1.653 1.00 0.00 O ATOM 2245 CB GLN B 33 144.381 -3.758 1.942 1.00 0.00 C ATOM 2246 CG GLN B 33 143.770 -4.164 0.588 1.00 0.00 C ATOM 2247 CD GLN B 33 142.434 -3.463 0.401 1.00 0.00 C ATOM 2248 OE1 GLN B 33 142.392 -2.267 0.139 1.00 0.00 O ATOM 2249 NE2 GLN B 33 141.349 -4.127 0.537 1.00 0.00 N ATOM 0 H GLN B 33 143.621 -1.623 0.789 1.00 0.00 H new ATOM 0 HA GLN B 33 145.540 -2.156 2.790 1.00 0.00 H new ATOM 0 HB2 GLN B 33 144.958 -4.589 2.348 1.00 0.00 H new ATOM 0 HB3 GLN B 33 143.584 -3.545 2.655 1.00 0.00 H new ATOM 0 HG2 GLN B 33 144.448 -3.898 -0.223 1.00 0.00 H new ATOM 0 HG3 GLN B 33 143.634 -5.245 0.548 1.00 0.00 H new ATOM 0 HE21 GLN B 33 141.384 -5.123 0.755 1.00 0.00 H new ATOM 0 HE22 GLN B 33 140.449 -3.661 0.427 1.00 0.00 H new ATOM 2258 N GLU B 34 146.513 -2.900 -0.252 1.00 0.00 N ATOM 2259 CA GLU B 34 147.705 -3.236 -1.062 1.00 0.00 C ATOM 2260 C GLU B 34 148.734 -2.146 -0.840 1.00 0.00 C ATOM 2261 O GLU B 34 149.743 -2.359 -0.185 1.00 0.00 O ATOM 2262 CB GLU B 34 147.329 -3.327 -2.570 1.00 0.00 C ATOM 2263 CG GLU B 34 145.886 -3.854 -2.736 1.00 0.00 C ATOM 2264 CD GLU B 34 145.619 -4.162 -4.190 1.00 0.00 C ATOM 2265 OE1 GLU B 34 146.129 -5.134 -4.665 1.00 0.00 O ATOM 2266 OE2 GLU B 34 144.890 -3.437 -4.806 1.00 0.00 O ATOM 0 H GLU B 34 145.676 -2.682 -0.792 1.00 0.00 H new ATOM 0 HA GLU B 34 148.106 -4.204 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU B 34 147.419 -2.345 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU B 34 148.026 -3.988 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU B 34 145.745 -4.751 -2.133 1.00 0.00 H new ATOM 0 HG3 GLU B 34 145.174 -3.112 -2.375 1.00 0.00 H new ATOM 2273 N LEU B 35 148.454 -0.972 -1.337 1.00 0.00 N ATOM 2274 CA LEU B 35 149.376 0.204 -1.183 1.00 0.00 C ATOM 2275 C LEU B 35 149.904 0.263 0.248 1.00 0.00 C ATOM 2276 O LEU B 35 151.042 0.649 0.494 1.00 0.00 O ATOM 2277 CB LEU B 35 148.587 1.496 -1.456 1.00 0.00 C ATOM 2278 CG LEU B 35 148.006 1.493 -2.885 1.00 0.00 C ATOM 2279 CD1 LEU B 35 146.622 2.141 -2.884 1.00 0.00 C ATOM 2280 CD2 LEU B 35 148.919 2.286 -3.814 1.00 0.00 C ATOM 0 H LEU B 35 147.602 -0.768 -1.859 1.00 0.00 H new ATOM 0 HA LEU B 35 150.206 0.102 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU B 35 147.779 1.594 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU B 35 149.239 2.360 -1.326 1.00 0.00 H new ATOM 0 HG LEU B 35 147.930 0.462 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU B 35 146.217 2.136 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU B 35 145.959 1.581 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU B 35 146.702 3.169 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU B 35 148.505 2.281 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU B 35 148.996 3.313 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU B 35 149.909 1.831 -3.826 1.00 0.00 H new ATOM 2292 N ILE B 36 149.075 -0.033 1.185 1.00 0.00 N ATOM 2293 CA ILE B 36 149.485 0.044 2.596 1.00 0.00 C ATOM 2294 C ILE B 36 150.450 -1.098 2.891 1.00 0.00 C ATOM 2295 O ILE B 36 151.539 -0.880 3.381 1.00 0.00 O ATOM 2296 CB ILE B 36 148.220 -0.044 3.465 1.00 0.00 C ATOM 2297 CG1 ILE B 36 147.427 1.264 3.311 1.00 0.00 C ATOM 2298 CG2 ILE B 36 148.571 -0.260 4.944 1.00 0.00 C ATOM 2299 CD1 ILE B 36 146.051 1.106 3.928 1.00 0.00 C ATOM 0 H ILE B 36 148.112 -0.331 1.032 1.00 0.00 H new ATOM 0 HA ILE B 36 149.996 0.982 2.814 1.00 0.00 H new ATOM 0 HB ILE B 36 147.625 -0.896 3.134 1.00 0.00 H new ATOM 0 HG12 ILE B 36 147.960 2.082 3.794 1.00 0.00 H new ATOM 0 HG13 ILE B 36 147.335 1.522 2.256 1.00 0.00 H new ATOM 0 HG21 ILE B 36 147.654 -0.318 5.531 1.00 0.00 H new ATOM 0 HG22 ILE B 36 149.131 -1.189 5.053 1.00 0.00 H new ATOM 0 HG23 ILE B 36 149.177 0.573 5.299 1.00 0.00 H new ATOM 0 HD11 ILE B 36 145.493 2.036 3.816 1.00 0.00 H new ATOM 0 HD12 ILE B 36 145.517 0.300 3.425 1.00 0.00 H new ATOM 0 HD13 ILE B 36 146.152 0.869 4.987 1.00 0.00 H new ATOM 2311 N LYS B 37 150.073 -2.306 2.584 1.00 0.00 N ATOM 2312 CA LYS B 37 150.973 -3.456 2.838 1.00 0.00 C ATOM 2313 C LYS B 37 152.330 -3.195 2.180 1.00 0.00 C ATOM 2314 O LYS B 37 153.391 -3.380 2.796 1.00 0.00 O ATOM 2315 CB LYS B 37 150.351 -4.713 2.244 1.00 0.00 C ATOM 2316 CG LYS B 37 149.330 -5.325 3.230 1.00 0.00 C ATOM 2317 CD LYS B 37 149.364 -6.857 3.135 1.00 0.00 C ATOM 2318 CE LYS B 37 148.710 -7.324 1.811 1.00 0.00 C ATOM 2319 NZ LYS B 37 149.302 -8.614 1.389 1.00 0.00 N ATOM 0 H LYS B 37 149.174 -2.545 2.166 1.00 0.00 H new ATOM 0 HA LYS B 37 151.113 -3.587 3.911 1.00 0.00 H new ATOM 0 HB2 LYS B 37 149.858 -4.472 1.302 1.00 0.00 H new ATOM 0 HB3 LYS B 37 151.130 -5.441 2.019 1.00 0.00 H new ATOM 0 HG2 LYS B 37 149.561 -5.010 4.248 1.00 0.00 H new ATOM 0 HG3 LYS B 37 148.328 -4.960 3.003 1.00 0.00 H new ATOM 0 HD2 LYS B 37 150.394 -7.209 3.184 1.00 0.00 H new ATOM 0 HD3 LYS B 37 148.837 -7.293 3.983 1.00 0.00 H new ATOM 0 HE2 LYS B 37 147.634 -7.433 1.945 1.00 0.00 H new ATOM 0 HE3 LYS B 37 148.860 -6.573 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 148.861 -8.924 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 150.325 -8.496 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 149.137 -9.329 2.126 1.00 0.00 H new ATOM 2333 N GLU B 38 152.330 -2.755 0.943 1.00 0.00 N ATOM 2334 CA GLU B 38 153.620 -2.509 0.297 1.00 0.00 C ATOM 2335 C GLU B 38 154.369 -1.395 1.006 1.00 0.00 C ATOM 2336 O GLU B 38 155.575 -1.445 1.091 1.00 0.00 O ATOM 2337 CB GLU B 38 153.510 -2.299 -1.225 1.00 0.00 C ATOM 2338 CG GLU B 38 152.353 -1.405 -1.640 1.00 0.00 C ATOM 2339 CD GLU B 38 152.006 -1.762 -3.061 1.00 0.00 C ATOM 2340 OE1 GLU B 38 151.404 -2.787 -3.257 1.00 0.00 O ATOM 2341 OE2 GLU B 38 152.413 -1.039 -3.945 1.00 0.00 O ATOM 0 H GLU B 38 151.502 -2.565 0.378 1.00 0.00 H new ATOM 0 HA GLU B 38 154.214 -3.417 0.400 1.00 0.00 H new ATOM 0 HB2 GLU B 38 154.441 -1.865 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU B 38 153.399 -3.269 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU B 38 151.495 -1.556 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU B 38 152.632 -0.354 -1.564 1.00 0.00 H new ATOM 2348 N TYR B 39 153.677 -0.459 1.624 1.00 0.00 N ATOM 2349 CA TYR B 39 154.397 0.561 2.440 1.00 0.00 C ATOM 2350 C TYR B 39 155.127 -0.088 3.565 1.00 0.00 C ATOM 2351 O TYR B 39 156.217 0.289 3.879 1.00 0.00 O ATOM 2352 CB TYR B 39 153.460 1.645 3.016 1.00 0.00 C ATOM 2353 CG TYR B 39 153.395 2.833 2.100 1.00 0.00 C ATOM 2354 CD1 TYR B 39 154.588 3.467 1.739 1.00 0.00 C ATOM 2355 CD2 TYR B 39 152.177 3.324 1.633 1.00 0.00 C ATOM 2356 CE1 TYR B 39 154.570 4.569 0.915 1.00 0.00 C ATOM 2357 CE2 TYR B 39 152.167 4.444 0.799 1.00 0.00 C ATOM 2358 CZ TYR B 39 153.372 5.059 0.443 1.00 0.00 C ATOM 2359 OH TYR B 39 153.382 6.134 -0.380 1.00 0.00 O ATOM 0 H TYR B 39 152.662 -0.363 1.596 1.00 0.00 H new ATOM 0 HA TYR B 39 155.097 1.049 1.762 1.00 0.00 H new ATOM 0 HB2 TYR B 39 152.461 1.232 3.155 1.00 0.00 H new ATOM 0 HB3 TYR B 39 153.816 1.956 3.998 1.00 0.00 H new ATOM 0 HD1 TYR B 39 155.530 3.089 2.109 1.00 0.00 H new ATOM 0 HD2 TYR B 39 151.251 2.844 1.913 1.00 0.00 H new ATOM 0 HE1 TYR B 39 155.496 5.050 0.638 1.00 0.00 H new ATOM 0 HE2 TYR B 39 151.230 4.835 0.429 1.00 0.00 H new ATOM 0 HH TYR B 39 152.843 5.942 -1.176 1.00 0.00 H new ATOM 2369 N LEU B 40 154.547 -1.043 4.191 1.00 0.00 N ATOM 2370 CA LEU B 40 155.247 -1.672 5.341 1.00 0.00 C ATOM 2371 C LEU B 40 156.564 -2.244 4.848 1.00 0.00 C ATOM 2372 O LEU B 40 157.607 -2.000 5.424 1.00 0.00 O ATOM 2373 CB LEU B 40 154.365 -2.765 5.974 1.00 0.00 C ATOM 2374 CG LEU B 40 152.879 -2.326 5.945 1.00 0.00 C ATOM 2375 CD1 LEU B 40 152.030 -3.288 6.757 1.00 0.00 C ATOM 2376 CD2 LEU B 40 152.724 -0.911 6.520 1.00 0.00 C ATOM 0 H LEU B 40 153.627 -1.423 3.970 1.00 0.00 H new ATOM 0 HA LEU B 40 155.445 -0.928 6.113 1.00 0.00 H new ATOM 0 HB2 LEU B 40 154.487 -3.702 5.431 1.00 0.00 H new ATOM 0 HB3 LEU B 40 154.679 -2.948 7.002 1.00 0.00 H new ATOM 0 HG LEU B 40 152.545 -2.331 4.907 1.00 0.00 H new ATOM 0 HD11 LEU B 40 150.989 -2.968 6.728 1.00 0.00 H new ATOM 0 HD12 LEU B 40 152.113 -4.290 6.337 1.00 0.00 H new ATOM 0 HD13 LEU B 40 152.378 -3.298 7.790 1.00 0.00 H new ATOM 0 HD21 LEU B 40 151.674 -0.620 6.492 1.00 0.00 H new ATOM 0 HD22 LEU B 40 153.077 -0.897 7.551 1.00 0.00 H new ATOM 0 HD23 LEU B 40 153.311 -0.211 5.926 1.00 0.00 H new ATOM 2388 N GLU B 41 156.542 -2.953 3.760 1.00 0.00 N ATOM 2389 CA GLU B 41 157.826 -3.495 3.222 1.00 0.00 C ATOM 2390 C GLU B 41 158.682 -2.327 2.702 1.00 0.00 C ATOM 2391 O GLU B 41 159.824 -2.143 3.099 1.00 0.00 O ATOM 2392 CB GLU B 41 157.544 -4.470 2.070 1.00 0.00 C ATOM 2393 CG GLU B 41 156.201 -5.191 2.282 1.00 0.00 C ATOM 2394 CD GLU B 41 156.143 -6.388 1.375 1.00 0.00 C ATOM 2395 OE1 GLU B 41 156.194 -6.206 0.193 1.00 0.00 O ATOM 2396 OE2 GLU B 41 156.070 -7.472 1.868 1.00 0.00 O ATOM 0 H GLU B 41 155.706 -3.182 3.222 1.00 0.00 H new ATOM 0 HA GLU B 41 158.355 -4.025 4.014 1.00 0.00 H new ATOM 0 HB2 GLU B 41 157.526 -3.928 1.125 1.00 0.00 H new ATOM 0 HB3 GLU B 41 158.348 -5.202 2.002 1.00 0.00 H new ATOM 0 HG2 GLU B 41 156.100 -5.501 3.322 1.00 0.00 H new ATOM 0 HG3 GLU B 41 155.373 -4.516 2.068 1.00 0.00 H new ATOM 2403 N LEU B 42 158.144 -1.579 1.776 1.00 0.00 N ATOM 2404 CA LEU B 42 158.876 -0.439 1.136 1.00 0.00 C ATOM 2405 C LEU B 42 159.510 0.422 2.229 1.00 0.00 C ATOM 2406 O LEU B 42 160.701 0.699 2.214 1.00 0.00 O ATOM 2407 CB LEU B 42 157.856 0.411 0.339 1.00 0.00 C ATOM 2408 CG LEU B 42 158.504 1.075 -0.888 1.00 0.00 C ATOM 2409 CD1 LEU B 42 159.680 1.948 -0.484 1.00 0.00 C ATOM 2410 CD2 LEU B 42 158.977 0.012 -1.871 1.00 0.00 C ATOM 0 H LEU B 42 157.196 -1.714 1.424 1.00 0.00 H new ATOM 0 HA LEU B 42 159.654 -0.812 0.470 1.00 0.00 H new ATOM 0 HB2 LEU B 42 157.029 -0.221 0.016 1.00 0.00 H new ATOM 0 HB3 LEU B 42 157.436 1.179 0.989 1.00 0.00 H new ATOM 0 HG LEU B 42 157.751 1.705 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU B 42 160.117 2.404 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU B 42 159.337 2.730 0.193 1.00 0.00 H new ATOM 0 HD13 LEU B 42 160.431 1.338 0.018 1.00 0.00 H new ATOM 0 HD21 LEU B 42 159.434 0.493 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU B 42 159.710 -0.633 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU B 42 158.126 -0.587 -2.197 1.00 0.00 H new ATOM 2422 N GLU B 43 158.723 0.841 3.168 1.00 0.00 N ATOM 2423 CA GLU B 43 159.241 1.677 4.277 1.00 0.00 C ATOM 2424 C GLU B 43 160.370 0.943 4.951 1.00 0.00 C ATOM 2425 O GLU B 43 161.429 1.489 5.161 1.00 0.00 O ATOM 2426 CB GLU B 43 158.141 1.930 5.307 1.00 0.00 C ATOM 2427 CG GLU B 43 157.208 3.053 4.833 1.00 0.00 C ATOM 2428 CD GLU B 43 156.794 3.882 6.030 1.00 0.00 C ATOM 2429 OE1 GLU B 43 156.517 3.317 7.067 1.00 0.00 O ATOM 2430 OE2 GLU B 43 156.787 5.068 5.915 1.00 0.00 O ATOM 0 H GLU B 43 157.725 0.637 3.216 1.00 0.00 H new ATOM 0 HA GLU B 43 159.585 2.630 3.875 1.00 0.00 H new ATOM 0 HB2 GLU B 43 157.568 1.017 5.467 1.00 0.00 H new ATOM 0 HB3 GLU B 43 158.586 2.199 6.265 1.00 0.00 H new ATOM 0 HG2 GLU B 43 157.714 3.679 4.098 1.00 0.00 H new ATOM 0 HG3 GLU B 43 156.330 2.632 4.343 1.00 0.00 H new ATOM 2437 N LYS B 44 160.160 -0.279 5.326 1.00 0.00 N ATOM 2438 CA LYS B 44 161.232 -1.024 6.003 1.00 0.00 C ATOM 2439 C LYS B 44 162.464 -1.039 5.091 1.00 0.00 C ATOM 2440 O LYS B 44 163.588 -0.818 5.541 1.00 0.00 O ATOM 2441 CB LYS B 44 160.744 -2.444 6.291 1.00 0.00 C ATOM 2442 CG LYS B 44 159.592 -2.399 7.326 1.00 0.00 C ATOM 2443 CD LYS B 44 160.155 -2.413 8.759 1.00 0.00 C ATOM 2444 CE LYS B 44 158.998 -2.461 9.782 1.00 0.00 C ATOM 2445 NZ LYS B 44 157.957 -1.456 9.436 1.00 0.00 N ATOM 0 H LYS B 44 159.289 -0.792 5.191 1.00 0.00 H new ATOM 0 HA LYS B 44 161.499 -0.553 6.949 1.00 0.00 H new ATOM 0 HB2 LYS B 44 160.400 -2.915 5.370 1.00 0.00 H new ATOM 0 HB3 LYS B 44 161.565 -3.051 6.672 1.00 0.00 H new ATOM 0 HG2 LYS B 44 158.992 -1.502 7.173 1.00 0.00 H new ATOM 0 HG3 LYS B 44 158.930 -3.253 7.180 1.00 0.00 H new ATOM 0 HD2 LYS B 44 160.806 -3.276 8.894 1.00 0.00 H new ATOM 0 HD3 LYS B 44 160.764 -1.525 8.928 1.00 0.00 H new ATOM 0 HE2 LYS B 44 158.559 -3.458 9.797 1.00 0.00 H new ATOM 0 HE3 LYS B 44 159.382 -2.267 10.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 157.354 -1.281 10.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 158.414 -0.568 9.147 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 157.374 -1.816 8.654 1.00 0.00 H new ATOM 2459 N CYS B 45 162.259 -1.203 3.805 1.00 0.00 N ATOM 2460 CA CYS B 45 163.389 -1.167 2.852 1.00 0.00 C ATOM 2461 C CYS B 45 164.056 0.193 2.930 1.00 0.00 C ATOM 2462 O CYS B 45 165.222 0.295 3.241 1.00 0.00 O ATOM 2463 CB CYS B 45 162.875 -1.399 1.428 1.00 0.00 C ATOM 2464 SG CYS B 45 161.845 -2.884 1.368 1.00 0.00 S ATOM 0 H CYS B 45 161.345 -1.361 3.381 1.00 0.00 H new ATOM 0 HA CYS B 45 164.105 -1.949 3.106 1.00 0.00 H new ATOM 0 HB2 CYS B 45 162.299 -0.535 1.096 1.00 0.00 H new ATOM 0 HB3 CYS B 45 163.716 -1.503 0.743 1.00 0.00 H new ATOM 0 HG CYS B 45 160.934 -2.818 2.293 1.00 0.00 H new ATOM 2470 N LEU B 46 163.343 1.239 2.620 1.00 0.00 N ATOM 2471 CA LEU B 46 163.979 2.589 2.633 1.00 0.00 C ATOM 2472 C LEU B 46 164.549 2.879 4.012 1.00 0.00 C ATOM 2473 O LEU B 46 165.582 3.469 4.135 1.00 0.00 O ATOM 2474 CB LEU B 46 162.975 3.688 2.223 1.00 0.00 C ATOM 2475 CG LEU B 46 163.739 4.997 1.878 1.00 0.00 C ATOM 2476 CD1 LEU B 46 164.616 4.807 0.651 1.00 0.00 C ATOM 2477 CD2 LEU B 46 162.758 6.120 1.576 1.00 0.00 C ATOM 0 H LEU B 46 162.357 1.221 2.360 1.00 0.00 H new ATOM 0 HA LEU B 46 164.788 2.591 1.903 1.00 0.00 H new ATOM 0 HB2 LEU B 46 162.392 3.359 1.363 1.00 0.00 H new ATOM 0 HB3 LEU B 46 162.270 3.870 3.034 1.00 0.00 H new ATOM 0 HG LEU B 46 164.355 5.249 2.741 1.00 0.00 H new ATOM 0 HD11 LEU B 46 165.140 5.737 0.431 1.00 0.00 H new ATOM 0 HD12 LEU B 46 165.343 4.018 0.842 1.00 0.00 H new ATOM 0 HD13 LEU B 46 163.995 4.530 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU B 46 163.309 7.030 1.336 1.00 0.00 H new ATOM 0 HD22 LEU B 46 162.134 5.840 0.728 1.00 0.00 H new ATOM 0 HD23 LEU B 46 162.128 6.297 2.447 1.00 0.00 H new ATOM 2489 N SER B 47 163.908 2.438 5.039 1.00 0.00 N ATOM 2490 CA SER B 47 164.433 2.677 6.399 1.00 0.00 C ATOM 2491 C SER B 47 165.764 1.947 6.551 1.00 0.00 C ATOM 2492 O SER B 47 166.769 2.530 6.933 1.00 0.00 O ATOM 2493 CB SER B 47 163.424 2.183 7.436 1.00 0.00 C ATOM 2494 OG SER B 47 162.119 2.670 7.079 1.00 0.00 O ATOM 0 H SER B 47 163.033 1.916 4.998 1.00 0.00 H new ATOM 0 HA SER B 47 164.591 3.744 6.557 1.00 0.00 H new ATOM 0 HB2 SER B 47 163.423 1.094 7.473 1.00 0.00 H new ATOM 0 HB3 SER B 47 163.700 2.536 8.430 1.00 0.00 H new ATOM 0 HG SER B 47 161.702 2.052 6.443 1.00 0.00 H new ATOM 2500 N ARG B 48 165.805 0.696 6.228 1.00 0.00 N ATOM 2501 CA ARG B 48 167.095 -0.044 6.327 1.00 0.00 C ATOM 2502 C ARG B 48 168.097 0.602 5.379 1.00 0.00 C ATOM 2503 O ARG B 48 169.256 0.830 5.725 1.00 0.00 O ATOM 2504 CB ARG B 48 166.870 -1.505 5.927 1.00 0.00 C ATOM 2505 CG ARG B 48 166.268 -2.281 7.118 1.00 0.00 C ATOM 2506 CD ARG B 48 166.748 -3.744 7.092 1.00 0.00 C ATOM 2507 NE ARG B 48 166.898 -4.203 5.669 1.00 0.00 N ATOM 2508 CZ ARG B 48 165.844 -4.497 4.934 1.00 0.00 C ATOM 2509 NH1 ARG B 48 164.654 -4.410 5.454 1.00 0.00 N ATOM 2510 NH2 ARG B 48 166.001 -4.870 3.692 1.00 0.00 N ATOM 0 H ARG B 48 165.009 0.149 5.900 1.00 0.00 H new ATOM 0 HA ARG B 48 167.476 -0.008 7.348 1.00 0.00 H new ATOM 0 HB2 ARG B 48 166.200 -1.559 5.069 1.00 0.00 H new ATOM 0 HB3 ARG B 48 167.813 -1.959 5.624 1.00 0.00 H new ATOM 0 HG2 ARG B 48 166.563 -1.810 8.056 1.00 0.00 H new ATOM 0 HG3 ARG B 48 165.180 -2.246 7.072 1.00 0.00 H new ATOM 0 HD2 ARG B 48 167.700 -3.834 7.615 1.00 0.00 H new ATOM 0 HD3 ARG B 48 166.035 -4.380 7.616 1.00 0.00 H new ATOM 0 HE ARG B 48 167.831 -4.288 5.265 1.00 0.00 H new ATOM 0 HH11 ARG B 48 164.542 -4.116 6.424 1.00 0.00 H new ATOM 0 HH12 ARG B 48 163.834 -4.636 4.891 1.00 0.00 H new ATOM 0 HH21 ARG B 48 166.938 -4.933 3.293 1.00 0.00 H new ATOM 0 HH22 ARG B 48 165.187 -5.098 3.121 1.00 0.00 H new ATOM 2524 N MET B 49 167.672 0.885 4.190 1.00 0.00 N ATOM 2525 CA MET B 49 168.564 1.488 3.195 1.00 0.00 C ATOM 2526 C MET B 49 168.897 2.923 3.582 1.00 0.00 C ATOM 2527 O MET B 49 169.826 3.494 3.051 1.00 0.00 O ATOM 2528 CB MET B 49 167.908 1.433 1.819 1.00 0.00 C ATOM 2529 CG MET B 49 167.949 -0.018 1.316 1.00 0.00 C ATOM 2530 SD MET B 49 166.837 -0.228 -0.088 1.00 0.00 S ATOM 2531 CE MET B 49 167.709 0.850 -1.242 1.00 0.00 C ATOM 0 H MET B 49 166.720 0.717 3.864 1.00 0.00 H new ATOM 0 HA MET B 49 169.497 0.925 3.160 1.00 0.00 H new ATOM 0 HB2 MET B 49 166.878 1.785 1.876 1.00 0.00 H new ATOM 0 HB3 MET B 49 168.431 2.090 1.124 1.00 0.00 H new ATOM 0 HG2 MET B 49 168.966 -0.280 1.025 1.00 0.00 H new ATOM 0 HG3 MET B 49 167.663 -0.696 2.120 1.00 0.00 H new ATOM 0 HE1 MET B 49 167.037 1.137 -2.051 1.00 0.00 H new ATOM 0 HE2 MET B 49 168.050 1.743 -0.719 1.00 0.00 H new ATOM 0 HE3 MET B 49 168.568 0.322 -1.655 1.00 0.00 H new ATOM 2541 N GLU B 50 168.195 3.494 4.527 1.00 0.00 N ATOM 2542 CA GLU B 50 168.546 4.859 4.993 1.00 0.00 C ATOM 2543 C GLU B 50 169.770 4.711 5.852 1.00 0.00 C ATOM 2544 O GLU B 50 170.772 5.367 5.650 1.00 0.00 O ATOM 2545 CB GLU B 50 167.414 5.448 5.826 1.00 0.00 C ATOM 2546 CG GLU B 50 166.408 6.211 4.934 1.00 0.00 C ATOM 2547 CD GLU B 50 166.175 7.595 5.481 1.00 0.00 C ATOM 2548 OE1 GLU B 50 167.125 8.255 5.777 1.00 0.00 O ATOM 2549 OE2 GLU B 50 165.042 7.975 5.600 1.00 0.00 O ATOM 0 H GLU B 50 167.394 3.069 4.994 1.00 0.00 H new ATOM 0 HA GLU B 50 168.719 5.524 4.147 1.00 0.00 H new ATOM 0 HB2 GLU B 50 166.899 4.650 6.361 1.00 0.00 H new ATOM 0 HB3 GLU B 50 167.824 6.123 6.577 1.00 0.00 H new ATOM 0 HG2 GLU B 50 166.789 6.274 3.915 1.00 0.00 H new ATOM 0 HG3 GLU B 50 165.465 5.666 4.888 1.00 0.00 H new ATOM 2556 N ASP B 51 169.733 3.763 6.745 1.00 0.00 N ATOM 2557 CA ASP B 51 170.926 3.459 7.567 1.00 0.00 C ATOM 2558 C ASP B 51 172.100 3.143 6.669 1.00 0.00 C ATOM 2559 O ASP B 51 173.213 3.632 6.897 1.00 0.00 O ATOM 2560 CB ASP B 51 170.637 2.290 8.516 1.00 0.00 C ATOM 2561 CG ASP B 51 170.153 2.823 9.831 1.00 0.00 C ATOM 2562 OD1 ASP B 51 169.080 3.329 9.890 1.00 0.00 O ATOM 2563 OD2 ASP B 51 170.895 2.740 10.769 1.00 0.00 O ATOM 0 H ASP B 51 168.917 3.183 6.939 1.00 0.00 H new ATOM 0 HA ASP B 51 171.174 4.332 8.171 1.00 0.00 H new ATOM 0 HB2 ASP B 51 169.886 1.631 8.080 1.00 0.00 H new ATOM 0 HB3 ASP B 51 171.538 1.695 8.662 1.00 0.00 H new ATOM 2568 N GLU B 52 171.883 2.346 5.651 1.00 0.00 N ATOM 2569 CA GLU B 52 172.982 2.034 4.710 1.00 0.00 C ATOM 2570 C GLU B 52 173.380 3.321 4.021 1.00 0.00 C ATOM 2571 O GLU B 52 174.490 3.731 4.092 1.00 0.00 O ATOM 2572 CB GLU B 52 172.527 1.030 3.632 1.00 0.00 C ATOM 2573 CG GLU B 52 172.385 -0.373 4.220 1.00 0.00 C ATOM 2574 CD GLU B 52 173.685 -1.133 4.070 1.00 0.00 C ATOM 2575 OE1 GLU B 52 174.541 -0.961 4.887 1.00 0.00 O ATOM 2576 OE2 GLU B 52 173.802 -1.892 3.146 1.00 0.00 O ATOM 0 H GLU B 52 170.989 1.902 5.438 1.00 0.00 H new ATOM 0 HA GLU B 52 173.811 1.595 5.265 1.00 0.00 H new ATOM 0 HB2 GLU B 52 171.574 1.350 3.210 1.00 0.00 H new ATOM 0 HB3 GLU B 52 173.249 1.015 2.815 1.00 0.00 H new ATOM 0 HG2 GLU B 52 172.112 -0.309 5.273 1.00 0.00 H new ATOM 0 HG3 GLU B 52 171.581 -0.908 3.714 1.00 0.00 H new ATOM 2583 N ASN B 53 172.446 3.971 3.379 1.00 0.00 N ATOM 2584 CA ASN B 53 172.738 5.251 2.666 1.00 0.00 C ATOM 2585 C ASN B 53 173.560 6.148 3.549 1.00 0.00 C ATOM 2586 O ASN B 53 174.558 6.707 3.138 1.00 0.00 O ATOM 2587 CB ASN B 53 171.408 5.952 2.311 1.00 0.00 C ATOM 2588 CG ASN B 53 170.965 5.500 0.934 1.00 0.00 C ATOM 2589 OD1 ASN B 53 171.231 6.153 -0.044 1.00 0.00 O ATOM 2590 ND2 ASN B 53 170.308 4.415 0.807 1.00 0.00 N ATOM 0 H ASN B 53 171.475 3.664 3.317 1.00 0.00 H new ATOM 0 HA ASN B 53 173.295 5.039 1.753 1.00 0.00 H new ATOM 0 HB2 ASN B 53 170.645 5.709 3.051 1.00 0.00 H new ATOM 0 HB3 ASN B 53 171.536 7.034 2.329 1.00 0.00 H new ATOM 0 HD21 ASN B 53 170.011 4.104 -0.118 1.00 0.00 H new ATOM 0 HD22 ASN B 53 170.080 3.858 1.630 1.00 0.00 H new ATOM 2597 N ASN B 54 173.147 6.288 4.761 1.00 0.00 N ATOM 2598 CA ASN B 54 173.868 7.155 5.714 1.00 0.00 C ATOM 2599 C ASN B 54 175.306 6.674 5.839 1.00 0.00 C ATOM 2600 O ASN B 54 176.256 7.378 5.498 1.00 0.00 O ATOM 2601 CB ASN B 54 173.206 7.058 7.090 1.00 0.00 C ATOM 2602 CG ASN B 54 172.061 8.055 7.221 1.00 0.00 C ATOM 2603 OD1 ASN B 54 171.603 8.639 6.246 1.00 0.00 O ATOM 2604 ND2 ASN B 54 171.557 8.265 8.378 1.00 0.00 N ATOM 0 H ASN B 54 172.321 5.828 5.143 1.00 0.00 H new ATOM 0 HA ASN B 54 173.842 8.184 5.356 1.00 0.00 H new ATOM 0 HB2 ASN B 54 172.831 6.047 7.246 1.00 0.00 H new ATOM 0 HB3 ASN B 54 173.947 7.246 7.867 1.00 0.00 H new ATOM 0 HD21 ASN B 54 170.779 8.915 8.485 1.00 0.00 H new ATOM 0 HD22 ASN B 54 171.934 7.782 9.194 1.00 0.00 H new ATOM 2611 N ARG B 55 175.473 5.475 6.324 1.00 0.00 N ATOM 2612 CA ARG B 55 176.828 4.910 6.543 1.00 0.00 C ATOM 2613 C ARG B 55 177.553 4.811 5.214 1.00 0.00 C ATOM 2614 O ARG B 55 178.584 5.403 5.028 1.00 0.00 O ATOM 2615 CB ARG B 55 176.696 3.504 7.180 1.00 0.00 C ATOM 2616 CG ARG B 55 176.544 3.590 8.726 1.00 0.00 C ATOM 2617 CD ARG B 55 175.559 4.712 9.139 1.00 0.00 C ATOM 2618 NE ARG B 55 174.914 4.372 10.452 1.00 0.00 N ATOM 2619 CZ ARG B 55 173.750 3.754 10.500 1.00 0.00 C ATOM 2620 NH1 ARG B 55 173.196 3.318 9.419 1.00 0.00 N ATOM 2621 NH2 ARG B 55 173.168 3.542 11.636 1.00 0.00 N ATOM 0 H ARG B 55 174.708 4.852 6.582 1.00 0.00 H new ATOM 0 HA ARG B 55 177.396 5.557 7.212 1.00 0.00 H new ATOM 0 HB2 ARG B 55 175.832 2.991 6.756 1.00 0.00 H new ATOM 0 HB3 ARG B 55 177.574 2.907 6.932 1.00 0.00 H new ATOM 0 HG2 ARG B 55 176.190 2.634 9.111 1.00 0.00 H new ATOM 0 HG3 ARG B 55 177.518 3.775 9.179 1.00 0.00 H new ATOM 0 HD2 ARG B 55 176.089 5.661 9.220 1.00 0.00 H new ATOM 0 HD3 ARG B 55 174.796 4.838 8.371 1.00 0.00 H new ATOM 0 HE ARG B 55 175.384 4.623 11.321 1.00 0.00 H new ATOM 0 HH11 ARG B 55 173.659 3.450 8.520 1.00 0.00 H new ATOM 0 HH12 ARG B 55 172.296 2.841 9.464 1.00 0.00 H new ATOM 0 HH21 ARG B 55 173.609 3.853 12.501 1.00 0.00 H new ATOM 0 HH22 ARG B 55 172.268 3.063 11.666 1.00 0.00 H new ATOM 2635 N LEU B 56 177.046 4.011 4.330 1.00 0.00 N ATOM 2636 CA LEU B 56 177.684 3.763 3.016 1.00 0.00 C ATOM 2637 C LEU B 56 178.372 4.993 2.494 1.00 0.00 C ATOM 2638 O LEU B 56 179.516 4.944 2.130 1.00 0.00 O ATOM 2639 CB LEU B 56 176.603 3.366 2.002 1.00 0.00 C ATOM 2640 CG LEU B 56 176.420 1.839 2.006 1.00 0.00 C ATOM 2641 CD1 LEU B 56 175.226 1.460 1.131 1.00 0.00 C ATOM 2642 CD2 LEU B 56 177.685 1.169 1.440 1.00 0.00 C ATOM 0 H LEU B 56 176.177 3.496 4.471 1.00 0.00 H new ATOM 0 HA LEU B 56 178.422 2.971 3.148 1.00 0.00 H new ATOM 0 HB2 LEU B 56 175.661 3.855 2.251 1.00 0.00 H new ATOM 0 HB3 LEU B 56 176.885 3.705 1.005 1.00 0.00 H new ATOM 0 HG LEU B 56 176.247 1.503 3.029 1.00 0.00 H new ATOM 0 HD11 LEU B 56 175.100 0.377 1.137 1.00 0.00 H new ATOM 0 HD12 LEU B 56 174.324 1.932 1.521 1.00 0.00 H new ATOM 0 HD13 LEU B 56 175.401 1.800 0.110 1.00 0.00 H new ATOM 0 HD21 LEU B 56 177.556 0.087 1.443 1.00 0.00 H new ATOM 0 HD22 LEU B 56 177.853 1.512 0.419 1.00 0.00 H new ATOM 0 HD23 LEU B 56 178.544 1.433 2.057 1.00 0.00 H new ATOM 2654 N ARG B 57 177.673 6.088 2.391 1.00 0.00 N ATOM 2655 CA ARG B 57 178.299 7.297 1.865 1.00 0.00 C ATOM 2656 C ARG B 57 179.434 7.721 2.770 1.00 0.00 C ATOM 2657 O ARG B 57 180.536 7.954 2.307 1.00 0.00 O ATOM 2658 CB ARG B 57 177.278 8.420 1.755 1.00 0.00 C ATOM 2659 CG ARG B 57 176.523 8.259 0.436 1.00 0.00 C ATOM 2660 CD ARG B 57 175.051 8.077 0.718 1.00 0.00 C ATOM 2661 NE ARG B 57 174.272 8.275 -0.533 1.00 0.00 N ATOM 2662 CZ ARG B 57 172.991 8.510 -0.501 1.00 0.00 C ATOM 2663 NH1 ARG B 57 172.373 8.637 0.637 1.00 0.00 N ATOM 2664 NH2 ARG B 57 172.357 8.615 -1.612 1.00 0.00 N ATOM 0 H ARG B 57 176.692 6.183 2.654 1.00 0.00 H new ATOM 0 HA ARG B 57 178.691 7.084 0.870 1.00 0.00 H new ATOM 0 HB2 ARG B 57 176.585 8.386 2.595 1.00 0.00 H new ATOM 0 HB3 ARG B 57 177.775 9.389 1.791 1.00 0.00 H new ATOM 0 HG2 ARG B 57 176.678 9.135 -0.193 1.00 0.00 H new ATOM 0 HG3 ARG B 57 176.908 7.400 -0.113 1.00 0.00 H new ATOM 0 HD2 ARG B 57 174.868 7.079 1.117 1.00 0.00 H new ATOM 0 HD3 ARG B 57 174.726 8.789 1.477 1.00 0.00 H new ATOM 0 HE ARG B 57 174.750 8.226 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG B 57 172.892 8.553 1.511 1.00 0.00 H new ATOM 0 HH12 ARG B 57 171.370 8.821 0.655 1.00 0.00 H new ATOM 0 HH21 ARG B 57 172.856 8.515 -2.496 1.00 0.00 H new ATOM 0 HH22 ARG B 57 171.354 8.799 -1.611 1.00 0.00 H new ATOM 2678 N LEU B 58 179.201 7.811 4.049 1.00 0.00 N ATOM 2679 CA LEU B 58 180.277 8.247 4.955 1.00 0.00 C ATOM 2680 C LEU B 58 181.435 7.267 4.825 1.00 0.00 C ATOM 2681 O LEU B 58 182.554 7.646 4.501 1.00 0.00 O ATOM 2682 CB LEU B 58 179.751 8.318 6.385 1.00 0.00 C ATOM 2683 CG LEU B 58 178.514 9.249 6.450 1.00 0.00 C ATOM 2684 CD1 LEU B 58 177.707 8.973 7.721 1.00 0.00 C ATOM 2685 CD2 LEU B 58 178.960 10.716 6.443 1.00 0.00 C ATOM 0 H LEU B 58 178.310 7.600 4.498 1.00 0.00 H new ATOM 0 HA LEU B 58 180.629 9.244 4.690 1.00 0.00 H new ATOM 0 HB2 LEU B 58 179.484 7.320 6.733 1.00 0.00 H new ATOM 0 HB3 LEU B 58 180.531 8.689 7.050 1.00 0.00 H new ATOM 0 HG LEU B 58 177.889 9.054 5.578 1.00 0.00 H new ATOM 0 HD11 LEU B 58 176.841 9.634 7.753 1.00 0.00 H new ATOM 0 HD12 LEU B 58 177.372 7.936 7.721 1.00 0.00 H new ATOM 0 HD13 LEU B 58 178.333 9.152 8.595 1.00 0.00 H new ATOM 0 HD21 LEU B 58 178.084 11.363 6.489 1.00 0.00 H new ATOM 0 HD22 LEU B 58 179.597 10.907 7.306 1.00 0.00 H new ATOM 0 HD23 LEU B 58 179.516 10.923 5.529 1.00 0.00 H new ATOM 2697 N GLU B 59 181.173 6.018 5.012 1.00 0.00 N ATOM 2698 CA GLU B 59 182.221 4.980 4.858 1.00 0.00 C ATOM 2699 C GLU B 59 182.905 5.161 3.515 1.00 0.00 C ATOM 2700 O GLU B 59 184.113 5.212 3.423 1.00 0.00 O ATOM 2701 CB GLU B 59 181.552 3.600 4.880 1.00 0.00 C ATOM 2702 CG GLU B 59 181.094 3.268 6.299 1.00 0.00 C ATOM 2703 CD GLU B 59 182.208 2.557 6.997 1.00 0.00 C ATOM 2704 OE1 GLU B 59 183.107 3.217 7.444 1.00 0.00 O ATOM 2705 OE2 GLU B 59 182.170 1.358 7.054 1.00 0.00 O ATOM 0 H GLU B 59 180.255 5.658 5.272 1.00 0.00 H new ATOM 0 HA GLU B 59 182.949 5.065 5.665 1.00 0.00 H new ATOM 0 HB2 GLU B 59 180.699 3.589 4.201 1.00 0.00 H new ATOM 0 HB3 GLU B 59 182.251 2.842 4.527 1.00 0.00 H new ATOM 0 HG2 GLU B 59 180.830 4.179 6.836 1.00 0.00 H new ATOM 0 HG3 GLU B 59 180.201 2.643 6.274 1.00 0.00 H new ATOM 2712 N SER B 60 182.128 5.211 2.488 1.00 0.00 N ATOM 2713 CA SER B 60 182.649 5.354 1.121 1.00 0.00 C ATOM 2714 C SER B 60 183.481 6.627 1.048 1.00 0.00 C ATOM 2715 O SER B 60 184.600 6.625 0.548 1.00 0.00 O ATOM 2716 CB SER B 60 181.444 5.440 0.149 1.00 0.00 C ATOM 2717 OG SER B 60 181.841 5.932 -1.143 1.00 0.00 O ATOM 0 H SER B 60 181.111 5.156 2.544 1.00 0.00 H new ATOM 0 HA SER B 60 183.275 4.504 0.848 1.00 0.00 H new ATOM 0 HB2 SER B 60 180.992 4.454 0.041 1.00 0.00 H new ATOM 0 HB3 SER B 60 180.682 6.095 0.570 1.00 0.00 H new ATOM 0 HG SER B 60 181.059 5.973 -1.732 1.00 0.00 H new ATOM 2723 N LYS B 61 182.951 7.736 1.528 1.00 0.00 N ATOM 2724 CA LYS B 61 183.734 9.004 1.444 1.00 0.00 C ATOM 2725 C LYS B 61 185.000 8.836 2.287 1.00 0.00 C ATOM 2726 O LYS B 61 186.080 9.252 1.901 1.00 0.00 O ATOM 2727 CB LYS B 61 182.919 10.205 1.957 1.00 0.00 C ATOM 2728 CG LYS B 61 181.614 10.396 1.140 1.00 0.00 C ATOM 2729 CD LYS B 61 180.499 10.979 2.066 1.00 0.00 C ATOM 2730 CE LYS B 61 179.643 12.019 1.317 1.00 0.00 C ATOM 2731 NZ LYS B 61 180.526 12.971 0.606 1.00 0.00 N ATOM 0 H LYS B 61 182.032 7.811 1.963 1.00 0.00 H new ATOM 0 HA LYS B 61 183.985 9.202 0.402 1.00 0.00 H new ATOM 0 HB2 LYS B 61 182.673 10.057 3.008 1.00 0.00 H new ATOM 0 HB3 LYS B 61 183.524 11.110 1.896 1.00 0.00 H new ATOM 0 HG2 LYS B 61 181.793 11.068 0.301 1.00 0.00 H new ATOM 0 HG3 LYS B 61 181.292 9.443 0.721 1.00 0.00 H new ATOM 0 HD2 LYS B 61 179.862 10.171 2.427 1.00 0.00 H new ATOM 0 HD3 LYS B 61 180.954 11.441 2.942 1.00 0.00 H new ATOM 0 HE2 LYS B 61 178.984 11.519 0.607 1.00 0.00 H new ATOM 0 HE3 LYS B 61 179.006 12.555 2.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 180.080 13.910 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 181.440 13.032 1.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 180.680 12.641 -0.368 1.00 0.00 H new ATOM 2745 N ARG B 62 184.875 8.229 3.436 1.00 0.00 N ATOM 2746 CA ARG B 62 186.047 8.038 4.324 1.00 0.00 C ATOM 2747 C ARG B 62 186.886 6.829 3.882 1.00 0.00 C ATOM 2748 O ARG B 62 187.730 6.359 4.628 1.00 0.00 O ATOM 2749 CB ARG B 62 185.613 7.907 5.785 1.00 0.00 C ATOM 2750 CG ARG B 62 184.983 9.227 6.253 1.00 0.00 C ATOM 2751 CD ARG B 62 186.085 10.233 6.631 1.00 0.00 C ATOM 2752 NE ARG B 62 186.934 9.667 7.741 1.00 0.00 N ATOM 2753 CZ ARG B 62 188.221 9.391 7.567 1.00 0.00 C ATOM 2754 NH1 ARG B 62 188.755 9.482 6.390 1.00 0.00 N ATOM 2755 NH2 ARG B 62 188.946 9.017 8.578 1.00 0.00 N ATOM 0 H ARG B 62 183.998 7.854 3.798 1.00 0.00 H new ATOM 0 HA ARG B 62 186.676 8.924 4.242 1.00 0.00 H new ATOM 0 HB2 ARG B 62 184.897 7.092 5.891 1.00 0.00 H new ATOM 0 HB3 ARG B 62 186.471 7.660 6.410 1.00 0.00 H new ATOM 0 HG2 ARG B 62 184.357 9.641 5.462 1.00 0.00 H new ATOM 0 HG3 ARG B 62 184.335 9.046 7.111 1.00 0.00 H new ATOM 0 HD2 ARG B 62 186.705 10.451 5.761 1.00 0.00 H new ATOM 0 HD3 ARG B 62 185.637 11.175 6.947 1.00 0.00 H new ATOM 0 HE ARG B 62 186.508 9.491 8.651 1.00 0.00 H new ATOM 0 HH11 ARG B 62 188.186 9.767 5.593 1.00 0.00 H new ATOM 0 HH12 ARG B 62 189.744 9.269 6.261 1.00 0.00 H new ATOM 0 HH21 ARG B 62 188.526 8.936 9.504 1.00 0.00 H new ATOM 0 HH22 ARG B 62 189.935 8.805 8.446 1.00 0.00 H new ATOM 2769 N LEU B 63 186.755 6.410 2.660 1.00 0.00 N ATOM 2770 CA LEU B 63 187.622 5.351 2.123 1.00 0.00 C ATOM 2771 C LEU B 63 188.555 6.009 1.111 1.00 0.00 C ATOM 2772 O LEU B 63 188.106 6.618 0.147 1.00 0.00 O ATOM 2773 CB LEU B 63 186.776 4.264 1.455 1.00 0.00 C ATOM 2774 CG LEU B 63 186.411 3.175 2.494 1.00 0.00 C ATOM 2775 CD1 LEU B 63 185.095 2.482 2.113 1.00 0.00 C ATOM 2776 CD2 LEU B 63 187.531 2.123 2.577 1.00 0.00 C ATOM 0 H LEU B 63 186.065 6.770 2.001 1.00 0.00 H new ATOM 0 HA LEU B 63 188.196 4.874 2.917 1.00 0.00 H new ATOM 0 HB2 LEU B 63 185.869 4.701 1.038 1.00 0.00 H new ATOM 0 HB3 LEU B 63 187.326 3.819 0.626 1.00 0.00 H new ATOM 0 HG LEU B 63 186.292 3.659 3.463 1.00 0.00 H new ATOM 0 HD11 LEU B 63 184.857 1.721 2.856 1.00 0.00 H new ATOM 0 HD12 LEU B 63 184.293 3.219 2.078 1.00 0.00 H new ATOM 0 HD13 LEU B 63 185.200 2.014 1.134 1.00 0.00 H new ATOM 0 HD21 LEU B 63 187.263 1.363 3.311 1.00 0.00 H new ATOM 0 HD22 LEU B 63 187.664 1.655 1.602 1.00 0.00 H new ATOM 0 HD23 LEU B 63 188.461 2.605 2.878 1.00 0.00 H new ATOM 2788 N GLY B 64 189.823 6.005 1.366 1.00 0.00 N ATOM 2789 CA GLY B 64 190.780 6.739 0.475 1.00 0.00 C ATOM 2790 C GLY B 64 191.366 5.809 -0.570 1.00 0.00 C ATOM 2791 O GLY B 64 191.806 4.709 -0.268 1.00 0.00 O ATOM 0 H GLY B 64 190.253 5.525 2.157 1.00 0.00 H new ATOM 0 HA2 GLY B 64 190.266 7.566 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY B 64 191.582 7.172 1.073 1.00 0.00 H new ATOM 2795 N GLY B 65 191.462 6.259 -1.786 1.00 0.00 N ATOM 2796 CA GLY B 65 192.109 5.438 -2.844 1.00 0.00 C ATOM 2797 C GLY B 65 193.612 5.551 -2.652 1.00 0.00 C ATOM 2798 O GLY B 65 194.335 6.001 -3.525 1.00 0.00 O ATOM 0 H GLY B 65 191.118 7.168 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY B 65 191.790 4.398 -2.772 1.00 0.00 H new ATOM 0 HA3 GLY B 65 191.821 5.792 -3.834 1.00 0.00 H new ATOM 2802 N ASP B 66 194.089 5.204 -1.490 1.00 0.00 N ATOM 2803 CA ASP B 66 195.554 5.325 -1.208 1.00 0.00 C ATOM 2804 C ASP B 66 196.315 4.300 -2.027 1.00 0.00 C ATOM 2805 O ASP B 66 197.531 4.306 -2.061 1.00 0.00 O ATOM 2806 CB ASP B 66 195.826 5.086 0.288 1.00 0.00 C ATOM 2807 CG ASP B 66 196.030 6.416 0.979 1.00 0.00 C ATOM 2808 OD1 ASP B 66 195.078 7.150 1.083 1.00 0.00 O ATOM 2809 OD2 ASP B 66 197.132 6.706 1.386 1.00 0.00 O ATOM 0 H ASP B 66 193.529 4.840 -0.719 1.00 0.00 H new ATOM 0 HA ASP B 66 195.884 6.329 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP B 66 194.990 4.553 0.741 1.00 0.00 H new ATOM 0 HB3 ASP B 66 196.709 4.459 0.413 1.00 0.00 H new ATOM 2814 N ASP B 67 195.617 3.427 -2.702 1.00 0.00 N ATOM 2815 CA ASP B 67 196.284 2.388 -3.554 1.00 0.00 C ATOM 2816 C ASP B 67 197.362 3.039 -4.406 1.00 0.00 C ATOM 2817 O ASP B 67 198.426 2.462 -4.627 1.00 0.00 O ATOM 2818 CB ASP B 67 195.248 1.710 -4.467 1.00 0.00 C ATOM 2819 CG ASP B 67 194.747 2.690 -5.510 1.00 0.00 C ATOM 2820 OD1 ASP B 67 194.151 3.657 -5.130 1.00 0.00 O ATOM 2821 OD2 ASP B 67 194.958 2.456 -6.676 1.00 0.00 O ATOM 0 H ASP B 67 194.598 3.386 -2.702 1.00 0.00 H new ATOM 0 HA ASP B 67 196.736 1.637 -2.907 1.00 0.00 H new ATOM 0 HB2 ASP B 67 195.695 0.844 -4.956 1.00 0.00 H new ATOM 0 HB3 ASP B 67 194.412 1.343 -3.871 1.00 0.00 H new ATOM 2826 N ALA B 68 197.143 4.250 -4.823 1.00 0.00 N ATOM 2827 CA ALA B 68 198.192 4.964 -5.608 1.00 0.00 C ATOM 2828 C ALA B 68 199.290 5.430 -4.649 1.00 0.00 C ATOM 2829 O ALA B 68 200.470 5.365 -4.970 1.00 0.00 O ATOM 2830 CB ALA B 68 197.598 6.151 -6.369 1.00 0.00 C ATOM 0 H ALA B 68 196.287 4.779 -4.657 1.00 0.00 H new ATOM 0 HA ALA B 68 198.614 4.284 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA B 68 198.385 6.653 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA B 68 196.830 5.795 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA B 68 197.155 6.852 -5.661 1.00 0.00 H new ATOM 2836 N ARG B 69 198.936 5.804 -3.450 1.00 0.00 N ATOM 2837 CA ARG B 69 199.971 6.171 -2.458 1.00 0.00 C ATOM 2838 C ARG B 69 200.730 4.902 -2.116 1.00 0.00 C ATOM 2839 O ARG B 69 201.951 4.885 -2.046 1.00 0.00 O ATOM 2840 CB ARG B 69 199.322 6.756 -1.183 1.00 0.00 C ATOM 2841 CG ARG B 69 200.389 7.012 -0.103 1.00 0.00 C ATOM 2842 CD ARG B 69 201.535 7.887 -0.642 1.00 0.00 C ATOM 2843 NE ARG B 69 202.489 8.169 0.475 1.00 0.00 N ATOM 2844 CZ ARG B 69 203.587 8.870 0.269 1.00 0.00 C ATOM 2845 NH1 ARG B 69 203.883 9.303 -0.939 1.00 0.00 N ATOM 2846 NH2 ARG B 69 204.394 9.098 1.269 1.00 0.00 N ATOM 0 H ARG B 69 197.973 5.870 -3.120 1.00 0.00 H new ATOM 0 HA ARG B 69 200.637 6.930 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG B 69 198.809 7.687 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG B 69 198.569 6.066 -0.802 1.00 0.00 H new ATOM 0 HG2 ARG B 69 199.929 7.501 0.756 1.00 0.00 H new ATOM 0 HG3 ARG B 69 200.789 6.061 0.248 1.00 0.00 H new ATOM 0 HD2 ARG B 69 202.048 7.377 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG B 69 201.141 8.819 -1.047 1.00 0.00 H new ATOM 0 HE ARG B 69 202.287 7.814 1.410 1.00 0.00 H new ATOM 0 HH11 ARG B 69 203.262 9.097 -1.721 1.00 0.00 H new ATOM 0 HH12 ARG B 69 204.734 9.845 -1.092 1.00 0.00 H new ATOM 0 HH21 ARG B 69 204.172 8.735 2.196 1.00 0.00 H new ATOM 0 HH22 ARG B 69 205.247 9.639 1.123 1.00 0.00 H new ATOM 2860 N VAL B 70 200.017 3.826 -1.957 1.00 0.00 N ATOM 2861 CA VAL B 70 200.667 2.524 -1.684 1.00 0.00 C ATOM 2862 C VAL B 70 201.706 2.306 -2.778 1.00 0.00 C ATOM 2863 O VAL B 70 202.893 2.130 -2.526 1.00 0.00 O ATOM 2864 CB VAL B 70 199.597 1.403 -1.746 1.00 0.00 C ATOM 2865 CG1 VAL B 70 200.211 0.056 -1.390 1.00 0.00 C ATOM 2866 CG2 VAL B 70 198.470 1.701 -0.760 1.00 0.00 C ATOM 0 H VAL B 70 198.999 3.796 -2.006 1.00 0.00 H new ATOM 0 HA VAL B 70 201.135 2.510 -0.699 1.00 0.00 H new ATOM 0 HB VAL B 70 199.205 1.366 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL B 70 199.445 -0.718 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL B 70 201.009 -0.178 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL B 70 200.620 0.098 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL B 70 197.723 0.909 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL B 70 198.875 1.754 0.251 1.00 0.00 H new ATOM 0 HG23 VAL B 70 198.006 2.654 -1.015 1.00 0.00 H new ATOM 2876 N ARG B 71 201.264 2.343 -3.990 1.00 0.00 N ATOM 2877 CA ARG B 71 202.191 2.144 -5.127 1.00 0.00 C ATOM 2878 C ARG B 71 203.289 3.201 -5.076 1.00 0.00 C ATOM 2879 O ARG B 71 204.445 2.893 -5.280 1.00 0.00 O ATOM 2880 CB ARG B 71 201.413 2.219 -6.457 1.00 0.00 C ATOM 2881 CG ARG B 71 202.380 2.378 -7.653 1.00 0.00 C ATOM 2882 CD ARG B 71 201.939 1.471 -8.798 1.00 0.00 C ATOM 2883 NE ARG B 71 202.433 0.084 -8.549 1.00 0.00 N ATOM 2884 CZ ARG B 71 202.400 -0.815 -9.509 1.00 0.00 C ATOM 2885 NH1 ARG B 71 201.888 -0.507 -10.669 1.00 0.00 N ATOM 2886 NH2 ARG B 71 202.875 -2.004 -9.297 1.00 0.00 N ATOM 0 H ARG B 71 200.291 2.504 -4.248 1.00 0.00 H new ATOM 0 HA ARG B 71 202.652 1.159 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG B 71 200.815 1.316 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG B 71 200.720 3.060 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG B 71 202.395 3.416 -7.985 1.00 0.00 H new ATOM 0 HG3 ARG B 71 203.395 2.126 -7.348 1.00 0.00 H new ATOM 0 HD2 ARG B 71 200.852 1.473 -8.880 1.00 0.00 H new ATOM 0 HD3 ARG B 71 202.331 1.844 -9.744 1.00 0.00 H new ATOM 0 HE ARG B 71 202.798 -0.168 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG B 71 201.515 0.429 -10.830 1.00 0.00 H new ATOM 0 HH12 ARG B 71 201.861 -1.202 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG B 71 203.273 -2.240 -8.388 1.00 0.00 H new ATOM 0 HH22 ARG B 71 202.851 -2.703 -10.040 1.00 0.00 H new ATOM 2900 N GLU B 72 202.964 4.420 -4.734 1.00 0.00 N ATOM 2901 CA GLU B 72 204.020 5.467 -4.618 1.00 0.00 C ATOM 2902 C GLU B 72 205.083 4.959 -3.680 1.00 0.00 C ATOM 2903 O GLU B 72 206.279 5.112 -3.916 1.00 0.00 O ATOM 2904 CB GLU B 72 203.431 6.731 -3.995 1.00 0.00 C ATOM 2905 CG GLU B 72 203.132 7.785 -5.052 1.00 0.00 C ATOM 2906 CD GLU B 72 203.220 9.157 -4.401 1.00 0.00 C ATOM 2907 OE1 GLU B 72 202.862 9.283 -3.237 1.00 0.00 O ATOM 2908 OE2 GLU B 72 203.656 10.064 -5.052 1.00 0.00 O ATOM 0 H GLU B 72 202.015 4.735 -4.531 1.00 0.00 H new ATOM 0 HA GLU B 72 204.422 5.687 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU B 72 202.515 6.481 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU B 72 204.129 7.136 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU B 72 203.843 7.709 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU B 72 202.139 7.628 -5.474 1.00 0.00 H new ATOM 2915 N LEU B 73 204.667 4.441 -2.586 1.00 0.00 N ATOM 2916 CA LEU B 73 205.615 3.986 -1.585 1.00 0.00 C ATOM 2917 C LEU B 73 206.338 2.759 -2.085 1.00 0.00 C ATOM 2918 O LEU B 73 207.534 2.654 -1.925 1.00 0.00 O ATOM 2919 CB LEU B 73 204.906 3.733 -0.283 1.00 0.00 C ATOM 2920 CG LEU B 73 204.258 5.046 0.181 1.00 0.00 C ATOM 2921 CD1 LEU B 73 203.204 4.748 1.208 1.00 0.00 C ATOM 2922 CD2 LEU B 73 205.314 5.959 0.797 1.00 0.00 C ATOM 0 H LEU B 73 203.685 4.313 -2.341 1.00 0.00 H new ATOM 0 HA LEU B 73 206.362 4.759 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU B 73 204.148 2.960 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU B 73 205.609 3.371 0.467 1.00 0.00 H new ATOM 0 HG LEU B 73 203.808 5.543 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU B 73 202.744 5.679 1.538 1.00 0.00 H new ATOM 0 HD12 LEU B 73 202.443 4.102 0.771 1.00 0.00 H new ATOM 0 HD13 LEU B 73 203.659 4.246 2.062 1.00 0.00 H new ATOM 0 HD21 LEU B 73 204.846 6.888 1.123 1.00 0.00 H new ATOM 0 HD22 LEU B 73 205.770 5.462 1.653 1.00 0.00 H new ATOM 0 HD23 LEU B 73 206.081 6.180 0.055 1.00 0.00 H new ATOM 2934 N GLU B 74 205.668 1.859 -2.760 1.00 0.00 N ATOM 2935 CA GLU B 74 206.398 0.704 -3.321 1.00 0.00 C ATOM 2936 C GLU B 74 207.410 1.240 -4.369 1.00 0.00 C ATOM 2937 O GLU B 74 208.533 0.773 -4.463 1.00 0.00 O ATOM 2938 CB GLU B 74 205.397 -0.282 -3.952 1.00 0.00 C ATOM 2939 CG GLU B 74 204.405 -0.806 -2.861 1.00 0.00 C ATOM 2940 CD GLU B 74 204.250 -2.332 -2.916 1.00 0.00 C ATOM 2941 OE1 GLU B 74 204.201 -2.864 -3.993 1.00 0.00 O ATOM 2942 OE2 GLU B 74 204.151 -2.949 -1.877 1.00 0.00 O ATOM 0 H GLU B 74 204.664 1.880 -2.940 1.00 0.00 H new ATOM 0 HA GLU B 74 206.941 0.167 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU B 74 204.844 0.210 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU B 74 205.932 -1.119 -4.402 1.00 0.00 H new ATOM 0 HG2 GLU B 74 204.762 -0.512 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU B 74 203.431 -0.337 -3.000 1.00 0.00 H new ATOM 2949 N LEU B 75 207.045 2.271 -5.103 1.00 0.00 N ATOM 2950 CA LEU B 75 207.991 2.898 -6.078 1.00 0.00 C ATOM 2951 C LEU B 75 209.138 3.532 -5.286 1.00 0.00 C ATOM 2952 O LEU B 75 210.307 3.342 -5.591 1.00 0.00 O ATOM 2953 CB LEU B 75 207.272 3.995 -6.868 1.00 0.00 C ATOM 2954 CG LEU B 75 206.106 3.424 -7.693 1.00 0.00 C ATOM 2955 CD1 LEU B 75 205.038 4.515 -7.900 1.00 0.00 C ATOM 2956 CD2 LEU B 75 206.622 2.958 -9.062 1.00 0.00 C ATOM 0 H LEU B 75 206.123 2.705 -5.065 1.00 0.00 H new ATOM 0 HA LEU B 75 208.365 2.144 -6.770 1.00 0.00 H new ATOM 0 HB2 LEU B 75 206.896 4.753 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU B 75 207.980 4.490 -7.532 1.00 0.00 H new ATOM 0 HG LEU B 75 205.670 2.579 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU B 75 204.212 4.110 -8.485 1.00 0.00 H new ATOM 0 HD12 LEU B 75 204.667 4.849 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU B 75 205.478 5.359 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU B 75 205.794 2.554 -9.645 1.00 0.00 H new ATOM 0 HD22 LEU B 75 207.060 3.803 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU B 75 207.378 2.186 -8.922 1.00 0.00 H new ATOM 2968 N GLU B 76 208.815 4.259 -4.261 1.00 0.00 N ATOM 2969 CA GLU B 76 209.849 4.884 -3.408 1.00 0.00 C ATOM 2970 C GLU B 76 210.743 3.774 -2.856 1.00 0.00 C ATOM 2971 O GLU B 76 211.963 3.884 -2.830 1.00 0.00 O ATOM 2972 CB GLU B 76 209.147 5.625 -2.243 1.00 0.00 C ATOM 2973 CG GLU B 76 210.064 6.725 -1.663 1.00 0.00 C ATOM 2974 CD GLU B 76 210.108 7.929 -2.585 1.00 0.00 C ATOM 2975 OE1 GLU B 76 209.092 8.287 -3.136 1.00 0.00 O ATOM 2976 OE2 GLU B 76 211.154 8.493 -2.718 1.00 0.00 O ATOM 0 H GLU B 76 207.855 4.450 -3.974 1.00 0.00 H new ATOM 0 HA GLU B 76 210.450 5.594 -3.976 1.00 0.00 H new ATOM 0 HB2 GLU B 76 208.217 6.069 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU B 76 208.883 4.914 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU B 76 209.701 7.027 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU B 76 211.070 6.330 -1.524 1.00 0.00 H new ATOM 2983 N LEU B 77 210.152 2.702 -2.431 1.00 0.00 N ATOM 2984 CA LEU B 77 210.948 1.583 -1.888 1.00 0.00 C ATOM 2985 C LEU B 77 211.884 1.098 -2.954 1.00 0.00 C ATOM 2986 O LEU B 77 213.050 0.930 -2.709 1.00 0.00 O ATOM 2987 CB LEU B 77 210.034 0.462 -1.406 1.00 0.00 C ATOM 2988 CG LEU B 77 209.464 0.866 -0.033 1.00 0.00 C ATOM 2989 CD1 LEU B 77 208.190 0.094 0.273 1.00 0.00 C ATOM 2990 CD2 LEU B 77 210.502 0.606 1.063 1.00 0.00 C ATOM 0 H LEU B 77 209.143 2.553 -2.437 1.00 0.00 H new ATOM 0 HA LEU B 77 211.527 1.922 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU B 77 209.227 0.296 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU B 77 210.588 -0.474 -1.328 1.00 0.00 H new ATOM 0 HG LEU B 77 209.226 1.929 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU B 77 207.806 0.396 1.247 1.00 0.00 H new ATOM 0 HD12 LEU B 77 207.443 0.306 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU B 77 208.406 -0.974 0.284 1.00 0.00 H new ATOM 0 HD21 LEU B 77 210.090 0.895 2.030 1.00 0.00 H new ATOM 0 HD22 LEU B 77 210.757 -0.454 1.079 1.00 0.00 H new ATOM 0 HD23 LEU B 77 211.399 1.192 0.861 1.00 0.00 H new ATOM 3002 N ASP B 78 211.414 0.952 -4.165 1.00 0.00 N ATOM 3003 CA ASP B 78 212.336 0.583 -5.259 1.00 0.00 C ATOM 3004 C ASP B 78 213.418 1.642 -5.331 1.00 0.00 C ATOM 3005 O ASP B 78 214.594 1.348 -5.426 1.00 0.00 O ATOM 3006 CB ASP B 78 211.583 0.525 -6.602 1.00 0.00 C ATOM 3007 CG ASP B 78 211.060 -0.866 -6.844 1.00 0.00 C ATOM 3008 OD1 ASP B 78 210.235 -1.319 -6.097 1.00 0.00 O ATOM 3009 OD2 ASP B 78 211.509 -1.493 -7.765 1.00 0.00 O ATOM 0 H ASP B 78 210.438 1.073 -4.435 1.00 0.00 H new ATOM 0 HA ASP B 78 212.766 -0.400 -5.066 1.00 0.00 H new ATOM 0 HB2 ASP B 78 210.757 1.236 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP B 78 212.249 0.818 -7.414 1.00 0.00 H new ATOM 3014 N ARG B 79 213.035 2.871 -5.264 1.00 0.00 N ATOM 3015 CA ARG B 79 214.005 3.975 -5.327 1.00 0.00 C ATOM 3016 C ARG B 79 215.055 3.803 -4.225 1.00 0.00 C ATOM 3017 O ARG B 79 216.257 3.956 -4.460 1.00 0.00 O ATOM 3018 CB ARG B 79 213.252 5.281 -5.150 1.00 0.00 C ATOM 3019 CG ARG B 79 213.944 6.414 -5.910 1.00 0.00 C ATOM 3020 CD ARG B 79 213.662 6.277 -7.423 1.00 0.00 C ATOM 3021 NE ARG B 79 212.177 6.236 -7.682 1.00 0.00 N ATOM 3022 CZ ARG B 79 211.529 5.093 -7.887 1.00 0.00 C ATOM 3023 NH1 ARG B 79 212.150 3.951 -7.807 1.00 0.00 N ATOM 3024 NH2 ARG B 79 210.266 5.117 -8.176 1.00 0.00 N ATOM 0 H ARG B 79 212.063 3.164 -5.165 1.00 0.00 H new ATOM 0 HA ARG B 79 214.519 3.978 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG B 79 212.229 5.168 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG B 79 213.192 5.531 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG B 79 213.585 7.378 -5.550 1.00 0.00 H new ATOM 0 HG3 ARG B 79 215.018 6.385 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG B 79 214.108 7.115 -7.959 1.00 0.00 H new ATOM 0 HD3 ARG B 79 214.129 5.369 -7.805 1.00 0.00 H new ATOM 0 HE ARG B 79 211.654 7.111 -7.701 1.00 0.00 H new ATOM 0 HH11 ARG B 79 213.145 3.926 -7.585 1.00 0.00 H new ATOM 0 HH12 ARG B 79 211.641 3.082 -7.966 1.00 0.00 H new ATOM 0 HH21 ARG B 79 209.775 6.009 -8.245 1.00 0.00 H new ATOM 0 HH22 ARG B 79 209.762 4.244 -8.335 1.00 0.00 H new ATOM 3038 N LEU B 80 214.635 3.492 -3.037 1.00 0.00 N ATOM 3039 CA LEU B 80 215.611 3.308 -1.939 1.00 0.00 C ATOM 3040 C LEU B 80 216.372 2.008 -2.165 1.00 0.00 C ATOM 3041 O LEU B 80 217.550 1.915 -1.872 1.00 0.00 O ATOM 3042 CB LEU B 80 214.894 3.274 -0.597 1.00 0.00 C ATOM 3043 CG LEU B 80 214.589 4.709 -0.106 1.00 0.00 C ATOM 3044 CD1 LEU B 80 214.101 4.666 1.339 1.00 0.00 C ATOM 3045 CD2 LEU B 80 215.850 5.589 -0.174 1.00 0.00 C ATOM 0 H LEU B 80 213.657 3.357 -2.779 1.00 0.00 H new ATOM 0 HA LEU B 80 216.312 4.143 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU B 80 213.966 2.710 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU B 80 215.510 2.756 0.138 1.00 0.00 H new ATOM 0 HG LEU B 80 213.820 5.133 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU B 80 213.887 5.679 1.681 1.00 0.00 H new ATOM 0 HD12 LEU B 80 213.194 4.064 1.399 1.00 0.00 H new ATOM 0 HD13 LEU B 80 214.872 4.225 1.970 1.00 0.00 H new ATOM 0 HD21 LEU B 80 215.612 6.593 0.176 1.00 0.00 H new ATOM 0 HD22 LEU B 80 216.628 5.160 0.457 1.00 0.00 H new ATOM 0 HD23 LEU B 80 216.204 5.638 -1.204 1.00 0.00 H new ATOM 3057 N ARG B 81 215.711 0.992 -2.636 1.00 0.00 N ATOM 3058 CA ARG B 81 216.406 -0.304 -2.901 1.00 0.00 C ATOM 3059 C ARG B 81 217.460 -0.038 -3.950 1.00 0.00 C ATOM 3060 O ARG B 81 218.530 -0.596 -3.914 1.00 0.00 O ATOM 3061 CB ARG B 81 215.415 -1.347 -3.443 1.00 0.00 C ATOM 3062 CG ARG B 81 214.492 -1.873 -2.316 1.00 0.00 C ATOM 3063 CD ARG B 81 213.790 -3.179 -2.772 1.00 0.00 C ATOM 3064 NE ARG B 81 213.857 -3.298 -4.272 1.00 0.00 N ATOM 3065 CZ ARG B 81 212.894 -2.848 -5.050 1.00 0.00 C ATOM 3066 NH1 ARG B 81 211.731 -2.510 -4.545 1.00 0.00 N ATOM 3067 NH2 ARG B 81 213.087 -2.811 -6.338 1.00 0.00 N ATOM 0 H ARG B 81 214.714 0.999 -2.851 1.00 0.00 H new ATOM 0 HA ARG B 81 216.842 -0.691 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG B 81 214.812 -0.903 -4.235 1.00 0.00 H new ATOM 0 HB3 ARG B 81 215.963 -2.178 -3.887 1.00 0.00 H new ATOM 0 HG2 ARG B 81 215.075 -2.060 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG B 81 213.747 -1.119 -2.063 1.00 0.00 H new ATOM 0 HD2 ARG B 81 214.269 -4.041 -2.308 1.00 0.00 H new ATOM 0 HD3 ARG B 81 212.750 -3.177 -2.444 1.00 0.00 H new ATOM 0 HE ARG B 81 214.672 -3.740 -4.698 1.00 0.00 H new ATOM 0 HH11 ARG B 81 211.567 -2.595 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG B 81 210.991 -2.163 -5.156 1.00 0.00 H new ATOM 0 HH21 ARG B 81 213.974 -3.128 -6.730 1.00 0.00 H new ATOM 0 HH22 ARG B 81 212.351 -2.465 -6.954 1.00 0.00 H new ATOM 3081 N ALA B 82 217.170 0.835 -4.873 1.00 0.00 N ATOM 3082 CA ALA B 82 218.162 1.171 -5.915 1.00 0.00 C ATOM 3083 C ALA B 82 219.397 1.725 -5.222 1.00 0.00 C ATOM 3084 O ALA B 82 220.524 1.320 -5.501 1.00 0.00 O ATOM 3085 CB ALA B 82 217.580 2.226 -6.866 1.00 0.00 C ATOM 0 H ALA B 82 216.281 1.330 -4.946 1.00 0.00 H new ATOM 0 HA ALA B 82 218.418 0.286 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA B 82 218.316 2.470 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA B 82 216.680 1.833 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA B 82 217.331 3.125 -6.303 1.00 0.00 H new ATOM 3091 N GLU B 83 219.200 2.639 -4.309 1.00 0.00 N ATOM 3092 CA GLU B 83 220.358 3.213 -3.575 1.00 0.00 C ATOM 3093 C GLU B 83 220.988 2.107 -2.754 1.00 0.00 C ATOM 3094 O GLU B 83 222.160 1.878 -2.814 1.00 0.00 O ATOM 3095 CB GLU B 83 219.897 4.342 -2.632 1.00 0.00 C ATOM 3096 CG GLU B 83 219.882 5.698 -3.360 1.00 0.00 C ATOM 3097 CD GLU B 83 221.170 5.893 -4.146 1.00 0.00 C ATOM 3098 OE1 GLU B 83 222.225 5.727 -3.581 1.00 0.00 O ATOM 3099 OE2 GLU B 83 221.080 6.190 -5.309 1.00 0.00 O ATOM 0 H GLU B 83 218.288 3.010 -4.042 1.00 0.00 H new ATOM 0 HA GLU B 83 221.072 3.627 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU B 83 218.900 4.119 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU B 83 220.562 4.395 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU B 83 219.027 5.747 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU B 83 219.764 6.505 -2.637 1.00 0.00 H new ATOM 3106 N ASN B 84 220.190 1.399 -2.012 1.00 0.00 N ATOM 3107 CA ASN B 84 220.698 0.273 -1.182 1.00 0.00 C ATOM 3108 C ASN B 84 221.571 -0.591 -2.049 1.00 0.00 C ATOM 3109 O ASN B 84 222.672 -0.919 -1.699 1.00 0.00 O ATOM 3110 CB ASN B 84 219.530 -0.573 -0.703 1.00 0.00 C ATOM 3111 CG ASN B 84 218.942 -0.001 0.571 1.00 0.00 C ATOM 3112 OD1 ASN B 84 219.282 -0.427 1.650 1.00 0.00 O ATOM 3113 ND2 ASN B 84 218.063 0.942 0.499 1.00 0.00 N ATOM 0 H ASN B 84 219.184 1.556 -1.943 1.00 0.00 H new ATOM 0 HA ASN B 84 221.250 0.664 -0.327 1.00 0.00 H new ATOM 0 HB2 ASN B 84 218.763 -0.615 -1.477 1.00 0.00 H new ATOM 0 HB3 ASN B 84 219.863 -1.596 -0.529 1.00 0.00 H new ATOM 0 HD21 ASN B 84 217.657 1.326 1.352 1.00 0.00 H new ATOM 0 HD22 ASN B 84 217.775 1.302 -0.411 1.00 0.00 H new ATOM 3120 N LEU B 85 221.087 -0.942 -3.192 1.00 0.00 N ATOM 3121 CA LEU B 85 221.885 -1.777 -4.121 1.00 0.00 C ATOM 3122 C LEU B 85 223.201 -1.055 -4.416 1.00 0.00 C ATOM 3123 O LEU B 85 224.276 -1.606 -4.249 1.00 0.00 O ATOM 3124 CB LEU B 85 221.058 -2.026 -5.419 1.00 0.00 C ATOM 3125 CG LEU B 85 221.938 -1.984 -6.686 1.00 0.00 C ATOM 3126 CD1 LEU B 85 222.919 -3.152 -6.692 1.00 0.00 C ATOM 3127 CD2 LEU B 85 221.048 -2.079 -7.924 1.00 0.00 C ATOM 0 H LEU B 85 220.160 -0.685 -3.532 1.00 0.00 H new ATOM 0 HA LEU B 85 222.116 -2.747 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU B 85 220.564 -2.996 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU B 85 220.273 -1.274 -5.498 1.00 0.00 H new ATOM 0 HG LEU B 85 222.496 -1.048 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU B 85 223.532 -3.108 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU B 85 223.561 -3.093 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU B 85 222.366 -4.091 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU B 85 221.667 -2.050 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU B 85 220.489 -3.015 -7.900 1.00 0.00 H new ATOM 0 HD23 LEU B 85 220.351 -1.241 -7.937 1.00 0.00 H new ATOM 3139 N GLN B 86 223.124 0.165 -4.856 1.00 0.00 N ATOM 3140 CA GLN B 86 224.365 0.931 -5.196 1.00 0.00 C ATOM 3141 C GLN B 86 225.297 0.959 -3.990 1.00 0.00 C ATOM 3142 O GLN B 86 226.490 0.715 -4.102 1.00 0.00 O ATOM 3143 CB GLN B 86 223.998 2.383 -5.574 1.00 0.00 C ATOM 3144 CG GLN B 86 224.705 2.802 -6.876 1.00 0.00 C ATOM 3145 CD GLN B 86 226.084 3.397 -6.569 1.00 0.00 C ATOM 3146 OE1 GLN B 86 226.909 2.766 -5.798 1.00 0.00 O flip ATOM 3147 NE2 GLN B 86 226.417 4.462 -7.052 1.00 0.00 N flip ATOM 0 H GLN B 86 222.252 0.674 -4.998 1.00 0.00 H new ATOM 0 HA GLN B 86 224.860 0.445 -6.037 1.00 0.00 H new ATOM 0 HB2 GLN B 86 222.918 2.470 -5.696 1.00 0.00 H new ATOM 0 HB3 GLN B 86 224.283 3.057 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN B 86 224.813 1.939 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN B 86 224.097 3.533 -7.408 1.00 0.00 H new ATOM 0 HE21 GLN B 86 225.775 4.969 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN B 86 227.338 4.849 -6.848 1.00 0.00 H new ATOM 3156 N LEU B 87 224.786 1.346 -2.878 1.00 0.00 N ATOM 3157 CA LEU B 87 225.619 1.514 -1.668 1.00 0.00 C ATOM 3158 C LEU B 87 226.125 0.166 -1.196 1.00 0.00 C ATOM 3159 O LEU B 87 227.294 -0.001 -0.951 1.00 0.00 O ATOM 3160 CB LEU B 87 224.796 2.180 -0.564 1.00 0.00 C ATOM 3161 CG LEU B 87 224.135 3.469 -1.098 1.00 0.00 C ATOM 3162 CD1 LEU B 87 222.909 3.814 -0.257 1.00 0.00 C ATOM 3163 CD2 LEU B 87 225.134 4.621 -1.025 1.00 0.00 C ATOM 0 H LEU B 87 223.798 1.561 -2.746 1.00 0.00 H new ATOM 0 HA LEU B 87 226.474 2.146 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU B 87 224.031 1.492 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU B 87 225.437 2.416 0.286 1.00 0.00 H new ATOM 0 HG LEU B 87 223.829 3.309 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU B 87 222.449 4.725 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU B 87 222.191 2.996 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU B 87 223.210 3.969 0.779 1.00 0.00 H new ATOM 0 HD21 LEU B 87 224.668 5.531 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU B 87 225.440 4.772 0.010 1.00 0.00 H new ATOM 0 HD23 LEU B 87 226.008 4.383 -1.631 1.00 0.00 H new