USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 559 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 94 LYS NZ :NH3+ -162:sc= 1.12 (180deg=-0.494) USER MOD Set 1.2: A 96 SER OG : rot -13:sc= 0.699! USER MOD Set 2.1: A 32 ASN : amide:sc= 0.227 K(o=-2.1,f=-7.2!) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -2.29! C(o=-4.6!,f=-2.1!) USER MOD Set 3.1: A 81 ASN : amide:sc= -0.877 K(o=-0.46,f=-5!) USER MOD Set 3.2: A 82 THR OG1 : rot 60:sc= 0.417 USER MOD Set 4.1: A 22 THR OG1 : rot 72:sc= 1.2 USER MOD Set 4.2: A 69 ASN : amide:sc= 2.14 K(o=3.3,f=-3!) USER MOD Single : A 23 ASN : amide:sc= -2.56! C(o=-2.6!,f=-2.3!) USER MOD Single : A 27 ASN : amide:sc= 0.0969 K(o=0.097,f=-0.99) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0315 F(o=-1.4,f=-0.032) USER MOD Single : A 33 MET CE :methyl 154:sc= -3.36! (180deg=-4.52!) USER MOD Single : A 34 THR OG1 : rot -170:sc= -2.17! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.31! C(o=-6.5!,f=-4.3!) USER MOD Single : A 40 SER OG : rot -84:sc= 0.439 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 65:sc= 1.22 USER MOD Single : A 50 SER OG : rot -83:sc= 1.25 USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= -0.0168 (180deg=-0.144) USER MOD Single : A 62 SER OG : rot 29:sc= 0.0127 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -32:sc= -1.71 USER MOD Single : A 72 THR OG1 : rot 15:sc= 1.33 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -2.76! C(o=-2.8!,f=-6!) USER MOD Single : A 90 SER OG : rot -4:sc= 0.44! USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.14) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00897 USER MOD Single : A 97 TYR OH : rot -173:sc= -1.78! USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.061 -2.464 6.208 1.00 0.00 N ATOM 302 CA THR A 22 7.224 -3.456 5.568 1.00 0.00 C ATOM 303 C THR A 22 5.793 -2.935 5.469 1.00 0.00 C ATOM 304 O THR A 22 4.957 -3.487 4.753 1.00 0.00 O ATOM 305 CB THR A 22 7.250 -4.780 6.360 1.00 0.00 C ATOM 306 OG1 THR A 22 6.861 -4.552 7.723 1.00 0.00 O ATOM 307 CG2 THR A 22 8.641 -5.391 6.338 1.00 0.00 C ATOM 0 HA THR A 22 7.609 -3.646 4.566 1.00 0.00 H new ATOM 0 HB THR A 22 6.548 -5.468 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.900 -4.363 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.638 -6.324 6.902 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.934 -5.591 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.350 -4.697 6.789 1.00 0.00 H new ATOM 315 N ASN A 23 5.527 -1.864 6.211 1.00 0.00 N ATOM 316 CA ASN A 23 4.213 -1.229 6.230 1.00 0.00 C ATOM 317 C ASN A 23 3.986 -0.478 4.928 1.00 0.00 C ATOM 318 O ASN A 23 4.757 0.417 4.587 1.00 0.00 O ATOM 319 CB ASN A 23 4.128 -0.237 7.390 1.00 0.00 C ATOM 320 CG ASN A 23 2.703 0.137 7.760 1.00 0.00 C ATOM 321 OD1 ASN A 23 2.439 1.254 8.198 1.00 0.00 O ATOM 322 ND2 ASN A 23 1.774 -0.796 7.607 1.00 0.00 N ATOM 0 H ASN A 23 6.214 -1.413 6.815 1.00 0.00 H new ATOM 0 HA ASN A 23 3.454 -2.002 6.351 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.621 -0.666 8.262 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.676 0.667 7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.805 -0.597 7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.028 -1.713 7.240 1.00 0.00 H new ATOM 329 N LEU A 24 2.949 -0.833 4.203 1.00 0.00 N ATOM 330 CA LEU A 24 2.661 -0.178 2.943 1.00 0.00 C ATOM 331 C LEU A 24 1.386 0.639 3.023 1.00 0.00 C ATOM 332 O LEU A 24 0.298 0.107 3.233 1.00 0.00 O ATOM 333 CB LEU A 24 2.552 -1.212 1.821 1.00 0.00 C ATOM 334 CG LEU A 24 3.568 -1.065 0.694 1.00 0.00 C ATOM 335 CD1 LEU A 24 4.979 -0.964 1.244 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.463 -2.239 -0.245 1.00 0.00 C ATOM 0 H LEU A 24 2.292 -1.569 4.461 1.00 0.00 H new ATOM 0 HA LEU A 24 3.484 0.502 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.658 -2.206 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.551 -1.155 1.394 1.00 0.00 H new ATOM 0 HG LEU A 24 3.348 -0.146 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.684 -0.860 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.054 -0.095 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.214 -1.865 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.191 -2.129 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.662 -3.161 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.459 -2.278 -0.668 1.00 0.00 H new ATOM 348 N ILE A 25 1.538 1.939 2.863 1.00 0.00 N ATOM 349 CA ILE A 25 0.403 2.824 2.764 1.00 0.00 C ATOM 350 C ILE A 25 -0.113 2.786 1.334 1.00 0.00 C ATOM 351 O ILE A 25 0.643 2.973 0.379 1.00 0.00 O ATOM 352 CB ILE A 25 0.749 4.278 3.167 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.540 5.096 3.244 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.759 4.902 2.212 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.336 6.582 3.425 1.00 0.00 C ATOM 0 H ILE A 25 2.444 2.404 2.799 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.362 2.481 3.461 1.00 0.00 H new ATOM 0 HB ILE A 25 1.223 4.272 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.114 4.930 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.142 4.722 4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.976 5.922 2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.678 4.316 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.346 4.915 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.305 7.080 3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.208 6.764 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.236 6.976 2.585 1.00 0.00 H new ATOM 367 N VAL A 26 -1.381 2.490 1.177 1.00 0.00 N ATOM 368 CA VAL A 26 -1.962 2.406 -0.143 1.00 0.00 C ATOM 369 C VAL A 26 -3.033 3.458 -0.296 1.00 0.00 C ATOM 370 O VAL A 26 -4.114 3.355 0.278 1.00 0.00 O ATOM 371 CB VAL A 26 -2.550 1.021 -0.418 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.902 0.880 -1.890 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.563 -0.043 -0.001 1.00 0.00 C ATOM 0 H VAL A 26 -2.029 2.304 1.943 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.168 2.578 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.464 0.898 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.319 -0.111 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.636 1.638 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.004 1.011 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.985 -1.028 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.639 0.076 -0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.351 0.054 1.064 1.00 0.00 H new ATOM 383 N ASN A 27 -2.710 4.480 -1.051 1.00 0.00 N ATOM 384 CA ASN A 27 -3.608 5.596 -1.243 1.00 0.00 C ATOM 385 C ASN A 27 -4.487 5.340 -2.445 1.00 0.00 C ATOM 386 O ASN A 27 -4.283 4.374 -3.180 1.00 0.00 O ATOM 387 CB ASN A 27 -2.828 6.890 -1.470 1.00 0.00 C ATOM 388 CG ASN A 27 -3.450 8.074 -0.757 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.414 8.665 -1.234 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.870 8.450 0.369 1.00 0.00 N ATOM 0 H ASN A 27 -1.823 4.563 -1.548 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.217 5.701 -0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.803 6.758 -1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.779 7.098 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.222 9.261 0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.070 7.929 0.730 1.00 0.00 H new ATOM 397 N TYR A 28 -5.453 6.219 -2.633 1.00 0.00 N ATOM 398 CA TYR A 28 -6.320 6.209 -3.801 1.00 0.00 C ATOM 399 C TYR A 28 -7.077 4.888 -3.923 1.00 0.00 C ATOM 400 O TYR A 28 -7.374 4.428 -5.026 1.00 0.00 O ATOM 401 CB TYR A 28 -5.502 6.480 -5.066 1.00 0.00 C ATOM 402 CG TYR A 28 -4.536 7.639 -4.925 1.00 0.00 C ATOM 403 CD1 TYR A 28 -3.212 7.502 -5.313 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.933 8.849 -4.370 1.00 0.00 C ATOM 405 CE1 TYR A 28 -2.307 8.535 -5.155 1.00 0.00 C ATOM 406 CE2 TYR A 28 -4.037 9.890 -4.213 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.723 9.726 -4.605 1.00 0.00 C ATOM 408 OH TYR A 28 -1.822 10.757 -4.444 1.00 0.00 O ATOM 0 H TYR A 28 -5.662 6.969 -1.974 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.059 7.001 -3.681 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.943 5.581 -5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.183 6.683 -5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.881 6.570 -5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.958 8.979 -4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.279 8.408 -5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.363 10.827 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.275 11.528 -4.043 1.00 0.00 H new ATOM 418 N LEU A 29 -7.376 4.278 -2.784 1.00 0.00 N ATOM 419 CA LEU A 29 -8.213 3.089 -2.756 1.00 0.00 C ATOM 420 C LEU A 29 -9.626 3.463 -3.169 1.00 0.00 C ATOM 421 O LEU A 29 -10.096 4.564 -2.866 1.00 0.00 O ATOM 422 CB LEU A 29 -8.246 2.474 -1.354 1.00 0.00 C ATOM 423 CG LEU A 29 -6.908 1.958 -0.828 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.112 1.138 0.433 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.196 1.140 -1.887 1.00 0.00 C ATOM 0 H LEU A 29 -7.051 4.588 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.797 2.356 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.626 3.222 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.958 1.649 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.283 2.816 -0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.148 0.779 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.577 1.758 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.757 0.287 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.245 0.782 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.816 0.289 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.014 1.760 -2.764 1.00 0.00 H new ATOM 437 N PRO A 30 -10.320 2.569 -3.882 1.00 0.00 N ATOM 438 CA PRO A 30 -11.706 2.802 -4.269 1.00 0.00 C ATOM 439 C PRO A 30 -12.580 3.042 -3.042 1.00 0.00 C ATOM 440 O PRO A 30 -12.435 2.358 -2.023 1.00 0.00 O ATOM 441 CB PRO A 30 -12.124 1.508 -4.963 1.00 0.00 C ATOM 442 CG PRO A 30 -10.857 0.824 -5.339 1.00 0.00 C ATOM 443 CD PRO A 30 -9.811 1.273 -4.361 1.00 0.00 C ATOM 0 HA PRO A 30 -11.814 3.681 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.724 0.884 -4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.733 1.715 -5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.978 -0.259 -5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.568 1.080 -6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.694 0.561 -3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.835 1.376 -4.836 1.00 0.00 H new ATOM 451 N GLN A 31 -13.497 3.992 -3.152 1.00 0.00 N ATOM 452 CA GLN A 31 -14.295 4.443 -2.014 1.00 0.00 C ATOM 453 C GLN A 31 -15.221 3.345 -1.492 1.00 0.00 C ATOM 454 O GLN A 31 -15.746 3.439 -0.383 1.00 0.00 O ATOM 455 CB GLN A 31 -15.120 5.667 -2.407 1.00 0.00 C ATOM 456 CG GLN A 31 -14.277 6.847 -2.857 1.00 0.00 C ATOM 457 CD GLN A 31 -13.403 7.408 -1.755 1.00 0.00 C ATOM 458 OE1 GLN A 31 -12.178 6.915 -1.661 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.821 8.285 -1.000 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.711 4.472 -4.026 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.603 4.703 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.804 5.392 -3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.732 5.971 -1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.646 6.538 -3.691 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.933 7.634 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.772 8.638 -1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.216 8.659 -0.268 1.00 0.00 H new ATOM 468 N ASN A 32 -15.417 2.306 -2.291 1.00 0.00 N ATOM 469 CA ASN A 32 -16.311 1.218 -1.922 1.00 0.00 C ATOM 470 C ASN A 32 -15.551 -0.090 -1.702 1.00 0.00 C ATOM 471 O ASN A 32 -16.163 -1.131 -1.473 1.00 0.00 O ATOM 472 CB ASN A 32 -17.370 1.016 -3.011 1.00 0.00 C ATOM 473 CG ASN A 32 -16.771 0.560 -4.331 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.628 0.886 -4.658 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.538 -0.194 -5.103 1.00 0.00 N ATOM 0 H ASN A 32 -14.968 2.193 -3.200 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.792 1.493 -0.983 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.098 0.279 -2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.910 1.950 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.188 -0.525 -6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.479 -0.444 -4.799 1.00 0.00 H new ATOM 482 N MET A 33 -14.223 -0.044 -1.762 1.00 0.00 N ATOM 483 CA MET A 33 -13.424 -1.260 -1.641 1.00 0.00 C ATOM 484 C MET A 33 -13.330 -1.703 -0.183 1.00 0.00 C ATOM 485 O MET A 33 -13.686 -0.950 0.722 1.00 0.00 O ATOM 486 CB MET A 33 -12.031 -1.037 -2.213 1.00 0.00 C ATOM 487 CG MET A 33 -11.525 -2.222 -3.017 1.00 0.00 C ATOM 488 SD MET A 33 -9.881 -1.963 -3.697 1.00 0.00 S ATOM 489 CE MET A 33 -8.955 -1.525 -2.230 1.00 0.00 C ATOM 0 H MET A 33 -13.682 0.811 -1.892 1.00 0.00 H new ATOM 0 HA MET A 33 -13.916 -2.049 -2.210 1.00 0.00 H new ATOM 0 HB2 MET A 33 -12.042 -0.152 -2.849 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.337 -0.835 -1.397 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.513 -3.107 -2.380 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.221 -2.425 -3.831 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.905 -1.780 -2.373 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.046 -0.454 -2.048 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.349 -2.073 -1.374 1.00 0.00 H new ATOM 499 N THR A 34 -12.856 -2.925 0.039 1.00 0.00 N ATOM 500 CA THR A 34 -12.807 -3.495 1.380 1.00 0.00 C ATOM 501 C THR A 34 -11.372 -3.772 1.809 1.00 0.00 C ATOM 502 O THR A 34 -10.461 -3.735 0.977 1.00 0.00 O ATOM 503 CB THR A 34 -13.599 -4.820 1.448 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.869 -5.861 0.786 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.952 -4.670 0.776 1.00 0.00 C ATOM 0 H THR A 34 -12.500 -3.540 -0.693 1.00 0.00 H new ATOM 0 HA THR A 34 -13.254 -2.762 2.051 1.00 0.00 H new ATOM 0 HB THR A 34 -13.744 -5.075 2.498 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.439 -6.653 0.694 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.494 -5.614 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.524 -3.891 1.280 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.811 -4.397 -0.270 1.00 0.00 H new ATOM 513 N GLN A 35 -11.170 -4.035 3.103 1.00 0.00 N ATOM 514 CA GLN A 35 -9.879 -4.515 3.587 1.00 0.00 C ATOM 515 C GLN A 35 -9.461 -5.722 2.789 1.00 0.00 C ATOM 516 O GLN A 35 -8.351 -5.790 2.301 1.00 0.00 O ATOM 517 CB GLN A 35 -9.917 -4.937 5.058 1.00 0.00 C ATOM 518 CG GLN A 35 -10.224 -3.832 6.049 1.00 0.00 C ATOM 519 CD GLN A 35 -11.673 -3.374 6.029 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.586 -4.268 5.675 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.972 -2.221 6.327 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.880 -3.924 3.827 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.180 -3.686 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.665 -5.722 5.173 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.953 -5.375 5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.976 -4.178 7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.580 -2.978 5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.244 -1.558 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.948 -1.926 6.307 1.00 0.00 H new ATOM 530 N ASP A 36 -10.386 -6.655 2.646 1.00 0.00 N ATOM 531 CA ASP A 36 -10.125 -7.934 1.998 1.00 0.00 C ATOM 532 C ASP A 36 -9.648 -7.746 0.566 1.00 0.00 C ATOM 533 O ASP A 36 -8.798 -8.485 0.097 1.00 0.00 O ATOM 534 CB ASP A 36 -11.393 -8.781 2.018 1.00 0.00 C ATOM 535 CG ASP A 36 -11.203 -10.140 1.368 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.590 -11.028 1.998 1.00 0.00 O ATOM 537 OD2 ASP A 36 -11.679 -10.331 0.228 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.345 -6.549 2.977 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.332 -8.441 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.716 -8.919 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.190 -8.245 1.503 1.00 0.00 H new ATOM 542 N GLU A 37 -10.193 -6.753 -0.126 1.00 0.00 N ATOM 543 CA GLU A 37 -9.770 -6.456 -1.488 1.00 0.00 C ATOM 544 C GLU A 37 -8.384 -5.826 -1.474 1.00 0.00 C ATOM 545 O GLU A 37 -7.501 -6.214 -2.239 1.00 0.00 O ATOM 546 CB GLU A 37 -10.764 -5.511 -2.157 1.00 0.00 C ATOM 547 CG GLU A 37 -12.190 -6.038 -2.182 1.00 0.00 C ATOM 548 CD GLU A 37 -12.334 -7.314 -2.988 1.00 0.00 C ATOM 549 OE1 GLU A 37 -13.210 -8.137 -2.643 1.00 0.00 O ATOM 550 OE2 GLU A 37 -11.570 -7.508 -3.959 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.927 -6.142 0.233 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.735 -7.386 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.749 -4.554 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.439 -5.321 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.522 -6.220 -1.160 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.847 -5.275 -2.599 1.00 0.00 H new ATOM 557 N LEU A 38 -8.206 -4.864 -0.578 1.00 0.00 N ATOM 558 CA LEU A 38 -6.927 -4.203 -0.377 1.00 0.00 C ATOM 559 C LEU A 38 -5.881 -5.235 0.072 1.00 0.00 C ATOM 560 O LEU A 38 -4.708 -5.161 -0.271 1.00 0.00 O ATOM 561 CB LEU A 38 -7.131 -3.083 0.672 1.00 0.00 C ATOM 562 CG LEU A 38 -5.918 -2.215 1.024 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.158 -2.805 2.194 1.00 0.00 C ATOM 564 CD2 LEU A 38 -5.014 -2.048 -0.183 1.00 0.00 C ATOM 0 H LEU A 38 -8.948 -4.520 0.031 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.560 -3.756 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.922 -2.425 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.493 -3.544 1.591 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.275 -1.228 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.301 -2.173 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.814 -2.862 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.811 -3.806 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.158 -1.429 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.664 -3.026 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.569 -1.569 -0.990 1.00 0.00 H new ATOM 576 N ARG A 39 -6.348 -6.212 0.818 1.00 0.00 N ATOM 577 CA ARG A 39 -5.511 -7.246 1.388 1.00 0.00 C ATOM 578 C ARG A 39 -5.194 -8.334 0.348 1.00 0.00 C ATOM 579 O ARG A 39 -4.055 -8.785 0.252 1.00 0.00 O ATOM 580 CB ARG A 39 -6.240 -7.827 2.612 1.00 0.00 C ATOM 581 CG ARG A 39 -5.369 -8.558 3.618 1.00 0.00 C ATOM 582 CD ARG A 39 -4.925 -9.907 3.107 1.00 0.00 C ATOM 583 NE ARG A 39 -4.124 -10.628 4.094 1.00 0.00 N ATOM 584 CZ ARG A 39 -3.690 -11.876 3.935 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.031 -12.569 2.859 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -2.929 -12.434 4.863 1.00 0.00 N ATOM 0 H ARG A 39 -7.336 -6.312 1.050 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.554 -6.827 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.751 -7.013 3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.009 -8.514 2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.493 -7.951 3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.921 -8.687 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.800 -10.502 2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.344 -9.776 2.194 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.882 -10.144 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.628 -12.146 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.696 -13.525 2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.676 -11.908 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.596 -13.390 4.742 1.00 0.00 H new ATOM 600 N SER A 40 -6.191 -8.733 -0.440 1.00 0.00 N ATOM 601 CA SER A 40 -6.024 -9.825 -1.404 1.00 0.00 C ATOM 602 C SER A 40 -5.133 -9.416 -2.574 1.00 0.00 C ATOM 603 O SER A 40 -4.287 -10.190 -3.021 1.00 0.00 O ATOM 604 CB SER A 40 -7.387 -10.299 -1.917 1.00 0.00 C ATOM 605 OG SER A 40 -8.176 -9.207 -2.361 1.00 0.00 O ATOM 0 H SER A 40 -7.123 -8.318 -0.432 1.00 0.00 H new ATOM 0 HA SER A 40 -5.532 -10.648 -0.885 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.245 -11.005 -2.735 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.912 -10.832 -1.124 1.00 0.00 H new ATOM 0 HG SER A 40 -8.640 -8.807 -1.596 1.00 0.00 H new ATOM 611 N LEU A 41 -5.331 -8.203 -3.062 1.00 0.00 N ATOM 612 CA LEU A 41 -4.515 -7.643 -4.129 1.00 0.00 C ATOM 613 C LEU A 41 -3.054 -7.611 -3.709 1.00 0.00 C ATOM 614 O LEU A 41 -2.162 -7.921 -4.496 1.00 0.00 O ATOM 615 CB LEU A 41 -5.056 -6.244 -4.445 1.00 0.00 C ATOM 616 CG LEU A 41 -4.580 -5.573 -5.736 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.523 -4.531 -5.435 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.051 -6.601 -6.731 1.00 0.00 C ATOM 0 H LEU A 41 -6.064 -7.576 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.568 -8.257 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.144 -6.305 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.800 -5.589 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.437 -5.077 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.197 -4.065 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.939 -3.771 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.671 -5.007 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.721 -6.094 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.211 -7.137 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.843 -7.308 -6.979 1.00 0.00 H new ATOM 630 N PHE A 42 -2.814 -7.290 -2.456 1.00 0.00 N ATOM 631 CA PHE A 42 -1.460 -7.269 -1.943 1.00 0.00 C ATOM 632 C PHE A 42 -0.981 -8.669 -1.588 1.00 0.00 C ATOM 633 O PHE A 42 0.208 -8.965 -1.682 1.00 0.00 O ATOM 634 CB PHE A 42 -1.360 -6.302 -0.770 1.00 0.00 C ATOM 635 CG PHE A 42 -1.323 -4.881 -1.241 1.00 0.00 C ATOM 636 CD1 PHE A 42 -0.156 -4.141 -1.162 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.447 -4.297 -1.807 1.00 0.00 C ATOM 638 CE1 PHE A 42 -0.114 -2.850 -1.640 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.407 -3.007 -2.274 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.240 -2.287 -2.194 1.00 0.00 C ATOM 0 H PHE A 42 -3.533 -7.041 -1.777 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.792 -6.908 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.211 -6.445 -0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.462 -6.520 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.728 -4.579 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.363 -4.864 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.802 -2.281 -1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.291 -2.559 -2.703 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.206 -1.274 -2.568 1.00 0.00 H new ATOM 650 N SER A 43 -1.903 -9.543 -1.222 1.00 0.00 N ATOM 651 CA SER A 43 -1.572 -10.945 -1.004 1.00 0.00 C ATOM 652 C SER A 43 -1.240 -11.597 -2.343 1.00 0.00 C ATOM 653 O SER A 43 -0.661 -12.679 -2.406 1.00 0.00 O ATOM 654 CB SER A 43 -2.738 -11.669 -0.325 1.00 0.00 C ATOM 655 OG SER A 43 -2.372 -12.979 0.074 1.00 0.00 O ATOM 0 H SER A 43 -2.884 -9.310 -1.069 1.00 0.00 H new ATOM 0 HA SER A 43 -0.705 -11.015 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.064 -11.100 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.585 -11.719 -1.009 1.00 0.00 H new ATOM 0 HG SER A 43 -3.136 -13.415 0.505 1.00 0.00 H new ATOM 661 N SER A 44 -1.603 -10.909 -3.417 1.00 0.00 N ATOM 662 CA SER A 44 -1.311 -11.366 -4.757 1.00 0.00 C ATOM 663 C SER A 44 0.144 -11.074 -5.126 1.00 0.00 C ATOM 664 O SER A 44 0.706 -11.695 -6.030 1.00 0.00 O ATOM 665 CB SER A 44 -2.290 -10.732 -5.738 1.00 0.00 C ATOM 666 OG SER A 44 -3.614 -11.179 -5.483 1.00 0.00 O ATOM 0 H SER A 44 -2.106 -10.022 -3.378 1.00 0.00 H new ATOM 0 HA SER A 44 -1.437 -12.448 -4.806 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.245 -9.646 -5.655 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.005 -10.985 -6.759 1.00 0.00 H new ATOM 0 HG SER A 44 -3.901 -10.866 -4.600 1.00 0.00 H new ATOM 672 N ILE A 45 0.748 -10.118 -4.429 1.00 0.00 N ATOM 673 CA ILE A 45 2.189 -9.899 -4.508 1.00 0.00 C ATOM 674 C ILE A 45 2.953 -10.991 -3.769 1.00 0.00 C ATOM 675 O ILE A 45 3.891 -11.579 -4.307 1.00 0.00 O ATOM 676 CB ILE A 45 2.568 -8.517 -3.935 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.299 -7.444 -4.980 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.029 -8.470 -3.484 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.368 -7.369 -6.034 1.00 0.00 C ATOM 0 H ILE A 45 0.260 -9.480 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 45 2.467 -9.932 -5.561 1.00 0.00 H new ATOM 0 HB ILE A 45 1.953 -8.333 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.339 -7.642 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.215 -6.476 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.256 -7.480 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.195 -9.218 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.679 -8.678 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.119 -6.585 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.326 -7.142 -5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.436 -8.326 -6.552 1.00 0.00 H new ATOM 691 N GLY A 46 2.529 -11.281 -2.551 1.00 0.00 N ATOM 692 CA GLY A 46 3.260 -12.217 -1.723 1.00 0.00 C ATOM 693 C GLY A 46 2.510 -12.563 -0.460 1.00 0.00 C ATOM 694 O GLY A 46 1.513 -13.280 -0.508 1.00 0.00 O ATOM 0 H GLY A 46 1.693 -10.886 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.454 -13.127 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.229 -11.791 -1.464 1.00 0.00 H new ATOM 698 N GLU A 47 2.979 -12.052 0.669 1.00 0.00 N ATOM 699 CA GLU A 47 2.315 -12.309 1.932 1.00 0.00 C ATOM 700 C GLU A 47 2.125 -11.054 2.738 1.00 0.00 C ATOM 701 O GLU A 47 3.075 -10.378 3.133 1.00 0.00 O ATOM 702 CB GLU A 47 3.054 -13.353 2.749 1.00 0.00 C ATOM 703 CG GLU A 47 2.741 -14.751 2.292 1.00 0.00 C ATOM 704 CD GLU A 47 3.567 -15.796 3.002 1.00 0.00 C ATOM 705 OE1 GLU A 47 3.118 -16.294 4.054 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.666 -16.128 2.510 1.00 0.00 O1- ATOM 0 H GLU A 47 3.809 -11.463 0.734 1.00 0.00 H new ATOM 0 HA GLU A 47 1.328 -12.700 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.127 -13.179 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.786 -13.247 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.683 -14.955 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.914 -14.825 1.218 1.00 0.00 H new ATOM 713 N VAL A 48 0.875 -10.780 2.994 1.00 0.00 N ATOM 714 CA VAL A 48 0.483 -9.617 3.748 1.00 0.00 C ATOM 715 C VAL A 48 0.365 -9.962 5.202 1.00 0.00 C ATOM 716 O VAL A 48 -0.358 -10.878 5.600 1.00 0.00 O ATOM 717 CB VAL A 48 -0.840 -9.027 3.224 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.315 -7.880 4.096 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.674 -8.581 1.783 1.00 0.00 C ATOM 0 H VAL A 48 0.094 -11.359 2.685 1.00 0.00 H new ATOM 0 HA VAL A 48 1.255 -8.858 3.625 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.603 -9.804 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.251 -7.485 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.474 -8.238 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.562 -7.092 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.614 -8.165 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.105 -7.821 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.394 -9.436 1.167 1.00 0.00 H new ATOM 729 N GLU A 49 1.129 -9.233 5.977 1.00 0.00 N ATOM 730 CA GLU A 49 1.153 -9.386 7.392 1.00 0.00 C ATOM 731 C GLU A 49 -0.181 -8.933 7.977 1.00 0.00 C ATOM 732 O GLU A 49 -0.816 -9.661 8.741 1.00 0.00 O ATOM 733 CB GLU A 49 2.308 -8.593 7.938 1.00 0.00 C ATOM 734 CG GLU A 49 2.653 -8.948 9.360 1.00 0.00 C ATOM 735 CD GLU A 49 1.788 -8.255 10.396 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.595 -7.027 10.297 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.301 -8.942 11.320 1.00 0.00 O1- ATOM 0 H GLU A 49 1.757 -8.509 5.628 1.00 0.00 H new ATOM 0 HA GLU A 49 1.291 -10.431 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.182 -8.756 7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.069 -7.531 7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.560 -10.027 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.697 -8.694 9.544 1.00 0.00 H new ATOM 744 N SER A 50 -0.613 -7.737 7.577 1.00 0.00 N ATOM 745 CA SER A 50 -1.900 -7.194 8.004 1.00 0.00 C ATOM 746 C SER A 50 -2.315 -6.029 7.107 1.00 0.00 C ATOM 747 O SER A 50 -1.521 -5.125 6.861 1.00 0.00 O ATOM 748 CB SER A 50 -1.821 -6.738 9.464 1.00 0.00 C ATOM 749 OG SER A 50 -0.706 -5.886 9.680 1.00 0.00 O ATOM 0 H SER A 50 -0.086 -7.124 6.955 1.00 0.00 H new ATOM 0 HA SER A 50 -2.653 -7.978 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.738 -6.215 9.734 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.747 -7.609 10.115 1.00 0.00 H new ATOM 0 HG SER A 50 0.098 -6.429 9.822 1.00 0.00 H new ATOM 755 N ALA A 51 -3.545 -6.049 6.604 1.00 0.00 N ATOM 756 CA ALA A 51 -4.015 -4.976 5.736 1.00 0.00 C ATOM 757 C ALA A 51 -5.226 -4.266 6.323 1.00 0.00 C ATOM 758 O ALA A 51 -6.246 -4.886 6.629 1.00 0.00 O ATOM 759 CB ALA A 51 -4.315 -5.490 4.337 1.00 0.00 C ATOM 0 H ALA A 51 -4.227 -6.787 6.780 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.209 -4.246 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.663 -4.666 3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.410 -5.915 3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.087 -6.257 4.389 1.00 0.00 H new ATOM 765 N LYS A 52 -5.092 -2.961 6.477 1.00 0.00 N ATOM 766 CA LYS A 52 -6.123 -2.134 7.059 1.00 0.00 C ATOM 767 C LYS A 52 -6.739 -1.232 5.995 1.00 0.00 C ATOM 768 O LYS A 52 -6.021 -0.608 5.215 1.00 0.00 O ATOM 769 CB LYS A 52 -5.486 -1.279 8.145 1.00 0.00 C ATOM 770 CG LYS A 52 -6.458 -0.446 8.943 1.00 0.00 C ATOM 771 CD LYS A 52 -5.740 0.730 9.569 1.00 0.00 C ATOM 772 CE LYS A 52 -4.657 0.291 10.542 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.197 -0.510 11.670 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.257 -2.446 6.198 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.910 -2.761 7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.941 -1.930 8.828 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.754 -0.616 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.261 -0.090 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.920 -1.056 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.295 1.341 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.462 1.358 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.910 -0.296 10.008 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.149 1.171 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.457 -0.641 12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.006 -0.012 12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.507 -1.439 11.319 1.00 0.00 H new ATOM 787 N LEU A 53 -8.058 -1.167 5.963 1.00 0.00 N ATOM 788 CA LEU A 53 -8.756 -0.268 5.064 1.00 0.00 C ATOM 789 C LEU A 53 -9.377 0.859 5.868 1.00 0.00 C ATOM 790 O LEU A 53 -10.010 0.618 6.898 1.00 0.00 O ATOM 791 CB LEU A 53 -9.838 -1.017 4.292 1.00 0.00 C ATOM 792 CG LEU A 53 -10.721 -0.153 3.396 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.222 -0.179 1.965 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.158 -0.629 3.463 1.00 0.00 C ATOM 0 H LEU A 53 -8.670 -1.730 6.554 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.046 0.142 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.360 -1.778 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.475 -1.539 5.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.675 0.875 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.866 0.443 1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.202 0.204 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.238 -1.203 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.778 -0.005 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.214 -1.665 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.517 -0.560 4.490 1.00 0.00 H new ATOM 806 N ILE A 54 -9.195 2.079 5.409 1.00 0.00 N ATOM 807 CA ILE A 54 -9.683 3.235 6.135 1.00 0.00 C ATOM 808 C ILE A 54 -11.030 3.672 5.590 1.00 0.00 C ATOM 809 O ILE A 54 -11.151 4.006 4.413 1.00 0.00 O ATOM 810 CB ILE A 54 -8.707 4.416 6.031 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.291 3.989 6.435 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.180 5.582 6.888 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.198 3.340 7.800 1.00 0.00 C ATOM 0 H ILE A 54 -8.713 2.297 4.537 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.778 2.942 7.181 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.681 4.743 4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.908 3.293 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.642 4.864 6.418 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.474 6.408 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.164 5.907 6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.241 5.267 7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.162 3.070 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.548 4.039 8.560 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.817 2.443 7.820 1.00 0.00 H new ATOM 934 N SER A 62 -14.951 3.853 2.255 1.00 0.00 N ATOM 935 CA SER A 62 -13.508 3.967 2.283 1.00 0.00 C ATOM 936 C SER A 62 -13.108 5.402 1.989 1.00 0.00 C ATOM 937 O SER A 62 -13.693 6.053 1.125 1.00 0.00 O ATOM 938 CB SER A 62 -12.870 3.015 1.263 1.00 0.00 C ATOM 939 OG SER A 62 -11.457 3.156 1.232 1.00 0.00 O ATOM 0 HA SER A 62 -13.150 3.689 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.129 1.986 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.278 3.215 0.272 1.00 0.00 H new ATOM 0 HG SER A 62 -11.138 3.451 2.111 1.00 0.00 H new ATOM 945 N LEU A 63 -12.125 5.893 2.718 1.00 0.00 N ATOM 946 CA LEU A 63 -11.699 7.273 2.585 1.00 0.00 C ATOM 947 C LEU A 63 -10.595 7.394 1.545 1.00 0.00 C ATOM 948 O LEU A 63 -9.977 8.448 1.388 1.00 0.00 O ATOM 949 CB LEU A 63 -11.251 7.818 3.941 1.00 0.00 C ATOM 950 CG LEU A 63 -12.340 7.802 5.018 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.852 8.447 6.303 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.597 8.499 4.518 1.00 0.00 C ATOM 0 H LEU A 63 -11.605 5.355 3.411 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.542 7.872 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.401 7.233 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.901 8.842 3.810 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.580 6.761 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.647 8.421 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.985 7.902 6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.573 9.482 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.359 8.477 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.364 9.534 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.970 7.986 3.632 1.00 0.00 H new ATOM 964 N GLY A 64 -10.363 6.301 0.833 1.00 0.00 N ATOM 965 CA GLY A 64 -9.459 6.327 -0.293 1.00 0.00 C ATOM 966 C GLY A 64 -8.021 6.065 0.080 1.00 0.00 C ATOM 967 O GLY A 64 -7.115 6.574 -0.574 1.00 0.00 O ATOM 0 H GLY A 64 -10.789 5.393 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.778 5.582 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.528 7.299 -0.781 1.00 0.00 H new ATOM 971 N TYR A 65 -7.801 5.284 1.125 1.00 0.00 N ATOM 972 CA TYR A 65 -6.453 4.865 1.488 1.00 0.00 C ATOM 973 C TYR A 65 -6.490 3.791 2.565 1.00 0.00 C ATOM 974 O TYR A 65 -7.527 3.556 3.187 1.00 0.00 O ATOM 975 CB TYR A 65 -5.589 6.057 1.935 1.00 0.00 C ATOM 976 CG TYR A 65 -5.986 6.689 3.239 1.00 0.00 C ATOM 977 CD1 TYR A 65 -7.142 7.447 3.351 1.00 0.00 C ATOM 978 CD2 TYR A 65 -5.175 6.552 4.352 1.00 0.00 C ATOM 979 CE1 TYR A 65 -7.481 8.048 4.542 1.00 0.00 C ATOM 980 CE2 TYR A 65 -5.509 7.144 5.547 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.662 7.894 5.639 1.00 0.00 C ATOM 982 OH TYR A 65 -6.989 8.500 6.830 1.00 0.00 O ATOM 0 H TYR A 65 -8.535 4.927 1.737 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.992 4.441 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.554 5.725 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.622 6.819 1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.785 7.567 2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.267 5.972 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.383 8.637 4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.871 7.022 6.410 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.307 8.290 7.502 1.00 0.00 H new ATOM 992 N GLY A 66 -5.360 3.133 2.757 1.00 0.00 N ATOM 993 CA GLY A 66 -5.259 2.073 3.734 1.00 0.00 C ATOM 994 C GLY A 66 -3.820 1.723 4.028 1.00 0.00 C ATOM 995 O GLY A 66 -2.906 2.350 3.490 1.00 0.00 O ATOM 0 H GLY A 66 -4.498 3.318 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.755 2.378 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.782 1.189 3.368 1.00 0.00 H new ATOM 999 N PHE A 67 -3.615 0.725 4.871 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.277 0.352 5.305 1.00 0.00 C ATOM 1001 C PHE A 67 -2.124 -1.162 5.320 1.00 0.00 C ATOM 1002 O PHE A 67 -2.698 -1.837 6.171 1.00 0.00 O ATOM 1003 CB PHE A 67 -2.002 0.899 6.714 1.00 0.00 C ATOM 1004 CG PHE A 67 -2.116 2.395 6.833 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -3.308 2.981 7.227 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -1.031 3.211 6.558 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -3.416 4.354 7.342 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -1.135 4.585 6.672 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.328 5.157 7.065 1.00 0.00 C ATOM 0 H PHE A 67 -4.361 0.156 5.271 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.562 0.780 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.700 0.437 7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.000 0.598 7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.162 2.358 7.447 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.094 2.769 6.251 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.351 4.798 7.648 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.282 5.211 6.453 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.410 6.230 7.156 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.359 -1.693 4.384 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.065 -3.109 4.364 1.00 0.00 C ATOM 1021 C VAL A 68 0.395 -3.361 4.701 1.00 0.00 C ATOM 1022 O VAL A 68 1.304 -2.985 3.969 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.481 -3.779 3.023 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.752 -2.737 1.964 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.457 -4.797 2.520 1.00 0.00 C ATOM 0 H VAL A 68 -0.930 -1.161 3.627 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.670 -3.581 5.138 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.399 -4.330 3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.041 -3.229 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.559 -2.083 2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.852 -2.146 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.804 -5.229 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.500 -4.301 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.336 -5.587 3.261 1.00 0.00 H new ATOM 1035 N ASN A 69 0.602 -3.945 5.860 1.00 0.00 N ATOM 1036 CA ASN A 69 1.917 -4.360 6.293 1.00 0.00 C ATOM 1037 C ASN A 69 2.253 -5.679 5.642 1.00 0.00 C ATOM 1038 O ASN A 69 1.462 -6.616 5.703 1.00 0.00 O ATOM 1039 CB ASN A 69 1.945 -4.526 7.807 1.00 0.00 C ATOM 1040 CG ASN A 69 3.354 -4.640 8.351 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.274 -3.997 7.862 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.534 -5.482 9.348 1.00 0.00 N ATOM 0 H ASN A 69 -0.140 -4.146 6.531 1.00 0.00 H new ATOM 0 HA ASN A 69 2.646 -3.602 6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.447 -3.675 8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.379 -5.416 8.082 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.466 -5.617 9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.741 -5.999 9.728 1.00 0.00 H new ATOM 1049 N TYR A 70 3.390 -5.748 4.991 1.00 0.00 N ATOM 1050 CA TYR A 70 3.852 -6.997 4.428 1.00 0.00 C ATOM 1051 C TYR A 70 4.743 -7.723 5.410 1.00 0.00 C ATOM 1052 O TYR A 70 5.047 -7.211 6.486 1.00 0.00 O ATOM 1053 CB TYR A 70 4.626 -6.758 3.143 1.00 0.00 C ATOM 1054 CG TYR A 70 3.792 -6.730 1.889 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.532 -5.544 1.223 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.297 -7.906 1.348 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.805 -5.535 0.054 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.564 -7.902 0.184 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.325 -6.715 -0.459 1.00 0.00 C ATOM 1060 OH TYR A 70 1.615 -6.710 -1.633 1.00 0.00 O ATOM 0 H TYR A 70 4.013 -4.955 4.837 1.00 0.00 H new ATOM 0 HA TYR A 70 2.975 -7.606 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.157 -5.810 3.228 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.380 -7.538 3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.904 -4.614 1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.490 -8.843 1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.613 -4.604 -0.458 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.180 -8.827 -0.220 1.00 0.00 H new ATOM 0 HH TYR A 70 1.113 -5.872 -1.708 1.00 0.00 H new ATOM 1070 N VAL A 71 5.153 -8.920 5.035 1.00 0.00 N ATOM 1071 CA VAL A 71 6.061 -9.698 5.858 1.00 0.00 C ATOM 1072 C VAL A 71 7.520 -9.389 5.505 1.00 0.00 C ATOM 1073 O VAL A 71 8.426 -9.639 6.300 1.00 0.00 O ATOM 1074 CB VAL A 71 5.795 -11.208 5.724 1.00 0.00 C ATOM 1075 CG1 VAL A 71 4.369 -11.520 6.149 1.00 0.00 C ATOM 1076 CG2 VAL A 71 6.055 -11.679 4.301 1.00 0.00 C ATOM 0 H VAL A 71 4.872 -9.375 4.166 1.00 0.00 H new ATOM 0 HA VAL A 71 5.881 -9.413 6.894 1.00 0.00 H new ATOM 0 HB VAL A 71 6.480 -11.746 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.186 -12.590 6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.225 -11.220 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.672 -10.974 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.860 -12.749 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.398 -11.145 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.094 -11.481 4.036 1.00 0.00 H new ATOM 1086 N THR A 72 7.740 -8.852 4.308 1.00 0.00 N ATOM 1087 CA THR A 72 9.059 -8.385 3.908 1.00 0.00 C ATOM 1088 C THR A 72 8.978 -6.941 3.438 1.00 0.00 C ATOM 1089 O THR A 72 7.905 -6.454 3.099 1.00 0.00 O ATOM 1090 CB THR A 72 9.674 -9.207 2.751 1.00 0.00 C ATOM 1091 OG1 THR A 72 8.724 -9.436 1.712 1.00 0.00 O ATOM 1092 CG2 THR A 72 10.242 -10.532 3.200 1.00 0.00 C ATOM 0 H THR A 72 7.018 -8.730 3.598 1.00 0.00 H new ATOM 0 HA THR A 72 9.692 -8.494 4.789 1.00 0.00 H new ATOM 0 HB THR A 72 10.497 -8.601 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.960 -8.834 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.658 -11.059 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.028 -10.360 3.936 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.451 -11.134 3.647 1.00 0.00 H new ATOM 1100 N ALA A 73 10.113 -6.260 3.426 1.00 0.00 N ATOM 1101 CA ALA A 73 10.211 -4.981 2.740 1.00 0.00 C ATOM 1102 C ALA A 73 10.463 -5.266 1.266 1.00 0.00 C ATOM 1103 O ALA A 73 10.339 -4.396 0.401 1.00 0.00 O ATOM 1104 CB ALA A 73 11.315 -4.114 3.333 1.00 0.00 C ATOM 0 H ALA A 73 10.973 -6.568 3.880 1.00 0.00 H new ATOM 0 HA ALA A 73 9.284 -4.420 2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.361 -3.166 2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.104 -3.926 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.271 -4.629 3.241 1.00 0.00 H new ATOM 1110 N LYS A 74 10.814 -6.524 1.019 1.00 0.00 N ATOM 1111 CA LYS A 74 11.006 -7.068 -0.315 1.00 0.00 C ATOM 1112 C LYS A 74 9.704 -7.064 -1.121 1.00 0.00 C ATOM 1113 O LYS A 74 9.611 -6.397 -2.150 1.00 0.00 O ATOM 1114 CB LYS A 74 11.560 -8.484 -0.183 1.00 0.00 C ATOM 1115 CG LYS A 74 11.540 -9.263 -1.470 1.00 0.00 C ATOM 1116 CD LYS A 74 10.772 -10.555 -1.307 1.00 0.00 C ATOM 1117 CE LYS A 74 10.324 -11.063 -2.657 1.00 0.00 C ATOM 1118 NZ LYS A 74 9.778 -12.443 -2.589 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.976 -7.207 1.760 1.00 0.00 H new ATOM 0 HA LYS A 74 11.712 -6.440 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.585 -8.431 0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.981 -9.023 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.085 -8.661 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.561 -9.479 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.399 -11.301 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.907 -10.395 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.564 -10.394 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.167 -11.042 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.484 -12.747 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.510 -13.089 -2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.957 -12.460 -1.951 1.00 0.00 H new ATOM 1132 N ASP A 75 8.697 -7.799 -0.655 1.00 0.00 N ATOM 1133 CA ASP A 75 7.425 -7.883 -1.368 1.00 0.00 C ATOM 1134 C ASP A 75 6.617 -6.619 -1.150 1.00 0.00 C ATOM 1135 O ASP A 75 5.702 -6.306 -1.908 1.00 0.00 O ATOM 1136 CB ASP A 75 6.660 -9.148 -0.966 1.00 0.00 C ATOM 1137 CG ASP A 75 6.129 -9.184 0.456 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.526 -8.335 1.279 1.00 0.00 O ATOM 1139 OD2 ASP A 75 5.346 -10.116 0.762 1.00 0.00 O1- ATOM 0 H ASP A 75 8.736 -8.342 0.208 1.00 0.00 H new ATOM 0 HA ASP A 75 7.618 -7.961 -2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.820 -9.272 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.317 -10.006 -1.109 1.00 0.00 H new ATOM 1144 N ALA A 76 6.984 -5.895 -0.118 1.00 0.00 N ATOM 1145 CA ALA A 76 6.525 -4.518 0.060 1.00 0.00 C ATOM 1146 C ALA A 76 6.934 -3.673 -1.147 1.00 0.00 C ATOM 1147 O ALA A 76 6.094 -3.048 -1.791 1.00 0.00 O ATOM 1148 CB ALA A 76 7.082 -3.924 1.351 1.00 0.00 C ATOM 0 H ALA A 76 7.603 -6.230 0.620 1.00 0.00 H new ATOM 0 HA ALA A 76 5.438 -4.518 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.728 -2.899 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.746 -4.519 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.171 -3.929 1.313 1.00 0.00 H new ATOM 1154 N GLU A 77 8.224 -3.681 -1.470 1.00 0.00 N ATOM 1155 CA GLU A 77 8.722 -3.011 -2.669 1.00 0.00 C ATOM 1156 C GLU A 77 8.114 -3.642 -3.912 1.00 0.00 C ATOM 1157 O GLU A 77 7.805 -2.953 -4.884 1.00 0.00 O ATOM 1158 CB GLU A 77 10.250 -3.096 -2.717 1.00 0.00 C ATOM 1159 CG GLU A 77 10.856 -2.631 -4.031 1.00 0.00 C ATOM 1160 CD GLU A 77 12.368 -2.579 -3.986 1.00 0.00 C ATOM 1161 OE1 GLU A 77 12.928 -1.483 -3.764 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.009 -3.636 -4.165 1.00 0.00 O1- ATOM 0 H GLU A 77 8.945 -4.145 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 77 8.431 -1.961 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.662 -2.495 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.552 -4.127 -2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.542 -3.303 -4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.469 -1.642 -4.276 1.00 0.00 H new ATOM 1169 N ARG A 78 7.910 -4.952 -3.853 1.00 0.00 N ATOM 1170 CA ARG A 78 7.336 -5.696 -4.955 1.00 0.00 C ATOM 1171 C ARG A 78 5.921 -5.193 -5.231 1.00 0.00 C ATOM 1172 O ARG A 78 5.487 -5.121 -6.375 1.00 0.00 O ATOM 1173 CB ARG A 78 7.345 -7.187 -4.616 1.00 0.00 C ATOM 1174 CG ARG A 78 7.025 -8.103 -5.778 1.00 0.00 C ATOM 1175 CD ARG A 78 7.203 -9.564 -5.390 1.00 0.00 C ATOM 1176 NE ARG A 78 6.877 -10.466 -6.495 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.625 -11.767 -6.354 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.633 -12.326 -5.150 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.353 -12.507 -7.420 1.00 0.00 N ATOM 0 H ARG A 78 8.139 -5.523 -3.039 1.00 0.00 H new ATOM 0 HA ARG A 78 7.927 -5.547 -5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.327 -7.450 -4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.624 -7.369 -3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.000 -7.933 -6.107 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.674 -7.866 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.233 -9.733 -5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.567 -9.793 -4.535 1.00 0.00 H new ATOM 0 HE ARG A 78 6.840 -10.073 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.833 -11.759 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.439 -13.322 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.337 -12.080 -8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.160 -13.503 -7.314 1.00 0.00 H new ATOM 1193 N ALA A 79 5.216 -4.813 -4.174 1.00 0.00 N ATOM 1194 CA ALA A 79 3.887 -4.246 -4.321 1.00 0.00 C ATOM 1195 C ALA A 79 3.963 -2.828 -4.858 1.00 0.00 C ATOM 1196 O ALA A 79 3.100 -2.394 -5.605 1.00 0.00 O ATOM 1197 CB ALA A 79 3.123 -4.274 -3.002 1.00 0.00 C ATOM 0 H ALA A 79 5.542 -4.887 -3.210 1.00 0.00 H new ATOM 0 HA ALA A 79 3.344 -4.861 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.132 -3.843 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.024 -5.304 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.666 -3.695 -2.255 1.00 0.00 H new ATOM 1203 N ILE A 80 4.997 -2.104 -4.483 1.00 0.00 N ATOM 1204 CA ILE A 80 5.147 -0.733 -4.941 1.00 0.00 C ATOM 1205 C ILE A 80 5.514 -0.648 -6.412 1.00 0.00 C ATOM 1206 O ILE A 80 5.138 0.297 -7.099 1.00 0.00 O ATOM 1207 CB ILE A 80 6.193 0.010 -4.128 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.883 -0.121 -2.645 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.216 1.466 -4.536 1.00 0.00 C ATOM 1210 CD1 ILE A 80 6.928 0.487 -1.759 1.00 0.00 C ATOM 0 H ILE A 80 5.741 -2.435 -3.868 1.00 0.00 H new ATOM 0 HA ILE A 80 4.173 -0.264 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 80 7.175 -0.424 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.923 0.353 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.777 -1.177 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.967 1.996 -3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.460 1.543 -5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.237 1.910 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.641 0.357 -0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.885 -0.003 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.019 1.550 -1.980 1.00 0.00 H new ATOM 1222 N ASN A 81 6.257 -1.605 -6.905 1.00 0.00 N ATOM 1223 CA ASN A 81 6.624 -1.571 -8.302 1.00 0.00 C ATOM 1224 C ASN A 81 5.561 -2.239 -9.159 1.00 0.00 C ATOM 1225 O ASN A 81 5.329 -1.849 -10.302 1.00 0.00 O ATOM 1226 CB ASN A 81 8.001 -2.194 -8.522 1.00 0.00 C ATOM 1227 CG ASN A 81 8.155 -3.607 -7.988 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.331 -4.485 -8.232 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.224 -3.825 -7.237 1.00 0.00 N ATOM 0 H ASN A 81 6.614 -2.401 -6.377 1.00 0.00 H new ATOM 0 HA ASN A 81 6.686 -0.528 -8.612 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.215 -2.200 -9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.751 -1.559 -8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.387 -4.749 -6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.885 -3.069 -7.058 1.00 0.00 H new ATOM 1236 N THR A 82 4.902 -3.225 -8.592 1.00 0.00 N ATOM 1237 CA THR A 82 3.886 -3.963 -9.305 1.00 0.00 C ATOM 1238 C THR A 82 2.486 -3.366 -9.111 1.00 0.00 C ATOM 1239 O THR A 82 1.814 -3.001 -10.079 1.00 0.00 O ATOM 1240 CB THR A 82 3.907 -5.436 -8.862 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.064 -6.087 -9.404 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.640 -6.180 -9.267 1.00 0.00 C ATOM 0 H THR A 82 5.054 -3.535 -7.632 1.00 0.00 H new ATOM 0 HA THR A 82 4.115 -3.896 -10.369 1.00 0.00 H new ATOM 0 HB THR A 82 3.952 -5.454 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.873 -5.637 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.703 -7.215 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.775 -5.702 -8.808 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.535 -6.156 -10.352 1.00 0.00 H new ATOM 1250 N LEU A 83 2.061 -3.251 -7.857 1.00 0.00 N ATOM 1251 CA LEU A 83 0.682 -2.898 -7.531 1.00 0.00 C ATOM 1252 C LEU A 83 0.434 -1.396 -7.500 1.00 0.00 C ATOM 1253 O LEU A 83 -0.703 -0.957 -7.625 1.00 0.00 O ATOM 1254 CB LEU A 83 0.292 -3.480 -6.184 1.00 0.00 C ATOM 1255 CG LEU A 83 0.209 -5.003 -6.127 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.303 -5.450 -4.768 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.682 -5.542 -7.237 1.00 0.00 C ATOM 0 H LEU A 83 2.657 -3.398 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 83 0.070 -3.319 -8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.014 -3.145 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.676 -3.069 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 83 1.211 -5.406 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.358 -6.538 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.376 -5.101 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.295 -5.032 -4.598 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.724 -6.629 -7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.686 -5.133 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.274 -5.250 -8.205 1.00 0.00 H new ATOM 1269 N ASN A 84 1.468 -0.603 -7.288 1.00 0.00 N ATOM 1270 CA ASN A 84 1.291 0.842 -7.280 1.00 0.00 C ATOM 1271 C ASN A 84 0.845 1.302 -8.664 1.00 0.00 C ATOM 1272 O ASN A 84 1.528 1.057 -9.660 1.00 0.00 O ATOM 1273 CB ASN A 84 2.590 1.525 -6.863 1.00 0.00 C ATOM 1274 CG ASN A 84 2.419 2.987 -6.501 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.414 3.613 -6.824 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.419 3.546 -5.836 1.00 0.00 N ATOM 0 H ASN A 84 2.422 -0.924 -7.122 1.00 0.00 H new ATOM 0 HA ASN A 84 0.522 1.117 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.011 0.995 -6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.311 1.443 -7.676 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.370 4.531 -5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.238 2.992 -5.586 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.317 1.936 -8.719 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.919 2.290 -9.988 1.00 0.00 C ATOM 1285 C GLY A 85 -1.752 1.155 -10.555 1.00 0.00 C ATOM 1286 O GLY A 85 -1.914 1.039 -11.769 1.00 0.00 O ATOM 0 H GLY A 85 -0.858 2.214 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.547 3.172 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.137 2.557 -10.699 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.275 0.311 -9.674 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.115 -0.807 -10.085 1.00 0.00 C ATOM 1292 C LEU A 86 -4.554 -0.346 -10.217 1.00 0.00 C ATOM 1293 O LEU A 86 -5.004 0.510 -9.456 1.00 0.00 O ATOM 1294 CB LEU A 86 -3.041 -1.940 -9.051 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.821 -3.355 -9.599 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.963 -3.778 -10.507 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.493 -3.436 -10.335 1.00 0.00 C ATOM 0 H LEU A 86 -2.131 0.380 -8.667 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.756 -1.176 -11.046 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.233 -1.714 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.967 -1.937 -8.476 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.796 -4.044 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.778 -4.785 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.898 -3.765 -9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.034 -3.088 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.351 -4.446 -10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.493 -2.730 -11.165 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.682 -3.190 -9.650 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.276 -0.905 -11.176 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.690 -0.619 -11.310 1.00 0.00 C ATOM 1311 C ARG A 87 -7.500 -1.543 -10.415 1.00 0.00 C ATOM 1312 O ARG A 87 -7.928 -2.620 -10.829 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.147 -0.756 -12.762 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.607 0.337 -13.664 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.196 1.694 -13.315 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.637 2.757 -14.142 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.180 3.965 -14.281 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.316 4.267 -13.660 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.581 4.872 -15.044 1.00 0.00 N ATOM 0 H ARG A 87 -4.905 -1.556 -11.868 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.856 0.413 -11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.829 -1.725 -13.146 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.236 -0.741 -12.796 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.521 0.378 -13.577 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.834 0.097 -14.703 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.278 1.664 -13.444 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.006 1.913 -12.264 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.773 2.562 -14.648 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.777 3.572 -13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.727 5.194 -13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.709 4.642 -15.520 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.993 5.799 -15.154 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.696 -1.112 -9.185 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.536 -1.823 -8.248 1.00 0.00 C ATOM 1335 C LEU A 88 -9.959 -1.334 -8.381 1.00 0.00 C ATOM 1336 O LEU A 88 -10.252 -0.191 -8.044 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.043 -1.610 -6.823 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.325 -2.808 -6.220 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.753 -2.454 -4.864 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.290 -3.975 -6.098 1.00 0.00 C ATOM 0 H LEU A 88 -7.278 -0.261 -8.810 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.495 -2.889 -8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.369 -0.753 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.894 -1.356 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.502 -3.094 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.243 -3.322 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.044 -1.633 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.560 -2.152 -4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.772 -4.831 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.123 -3.692 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.667 -4.240 -7.086 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.828 -2.184 -8.908 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.216 -1.807 -9.157 1.00 0.00 C ATOM 1354 C GLN A 89 -12.271 -0.567 -10.042 1.00 0.00 C ATOM 1355 O GLN A 89 -13.149 0.285 -9.889 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.933 -1.544 -7.844 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.971 -2.742 -6.908 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.752 -2.465 -5.642 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.735 -1.220 -5.207 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.355 -3.360 -5.054 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.598 -3.142 -9.173 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.716 -2.629 -9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.444 -0.714 -7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.955 -1.230 -8.057 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.417 -3.590 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.952 -3.027 -6.647 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.344 -4.311 -5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.867 -3.152 -4.197 1.00 0.00 H new ATOM 1369 N SER A 90 -11.281 -0.477 -10.932 1.00 0.00 N ATOM 1370 CA SER A 90 -11.148 0.609 -11.903 1.00 0.00 C ATOM 1371 C SER A 90 -10.483 1.850 -11.293 1.00 0.00 C ATOM 1372 O SER A 90 -10.162 2.806 -12.002 1.00 0.00 O ATOM 1373 CB SER A 90 -12.503 0.933 -12.528 1.00 0.00 C ATOM 1374 OG SER A 90 -12.532 2.214 -13.138 1.00 0.00 O ATOM 0 H SER A 90 -10.536 -1.170 -10.999 1.00 0.00 H new ATOM 0 HA SER A 90 -10.484 0.269 -12.698 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.746 0.175 -13.273 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.274 0.883 -11.759 1.00 0.00 H new ATOM 0 HG SER A 90 -11.679 2.670 -12.981 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.236 1.806 -9.994 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.591 2.907 -9.286 1.00 0.00 C ATOM 1382 C LYS A 91 -8.085 2.658 -9.205 1.00 0.00 C ATOM 1383 O LYS A 91 -7.658 1.547 -8.911 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.171 3.017 -7.875 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.617 4.402 -7.471 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.444 5.351 -7.391 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.596 6.291 -6.219 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.930 7.601 -6.456 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.474 1.012 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.771 3.837 -9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.022 2.341 -7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.421 2.672 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.344 4.778 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.119 4.358 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.518 4.785 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.370 5.924 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.656 6.455 -6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.174 5.827 -5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.852 8.118 -5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.980 7.442 -6.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.492 8.160 -7.129 1.00 0.00 H new ATOM 1402 N THR A 92 -7.285 3.680 -9.468 1.00 0.00 N ATOM 1403 CA THR A 92 -5.833 3.526 -9.445 1.00 0.00 C ATOM 1404 C THR A 92 -5.270 3.876 -8.074 1.00 0.00 C ATOM 1405 O THR A 92 -5.480 4.981 -7.581 1.00 0.00 O ATOM 1406 CB THR A 92 -5.148 4.404 -10.504 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.125 4.922 -11.422 1.00 0.00 O ATOM 1408 CG2 THR A 92 -4.099 3.607 -11.269 1.00 0.00 C ATOM 0 H THR A 92 -7.610 4.619 -9.698 1.00 0.00 H new ATOM 0 HA THR A 92 -5.627 2.480 -9.671 1.00 0.00 H new ATOM 0 HB THR A 92 -4.655 5.232 -9.994 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.680 5.482 -12.092 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.627 4.248 -12.013 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.343 3.240 -10.575 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.575 2.763 -11.767 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.548 2.938 -7.481 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.068 3.077 -6.115 1.00 0.00 C ATOM 1418 C ILE A 93 -2.592 3.470 -6.045 1.00 0.00 C ATOM 1419 O ILE A 93 -1.868 3.376 -7.034 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.262 1.758 -5.369 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.410 0.674 -6.034 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.740 1.386 -5.379 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.563 -0.687 -5.417 1.00 0.00 C ATOM 0 H ILE A 93 -4.279 2.063 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.647 3.877 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.943 1.857 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.675 0.615 -7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.362 0.969 -5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.882 0.445 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.316 2.171 -4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.081 1.276 -6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.928 -1.399 -5.944 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.270 -0.646 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.603 -1.005 -5.491 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.160 3.911 -4.869 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.769 4.284 -4.639 1.00 0.00 C ATOM 1437 C LYS A 94 -0.213 3.552 -3.428 1.00 0.00 C ATOM 1438 O LYS A 94 -0.443 3.956 -2.292 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.652 5.794 -4.420 1.00 0.00 C ATOM 1440 CG LYS A 94 0.666 6.243 -3.799 1.00 0.00 C ATOM 1441 CD LYS A 94 0.565 7.660 -3.269 1.00 0.00 C ATOM 1442 CE LYS A 94 1.813 8.087 -2.510 1.00 0.00 C ATOM 1443 NZ LYS A 94 2.173 7.137 -1.428 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.761 4.020 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.192 4.003 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.778 6.298 -5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.471 6.120 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.939 5.567 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.460 6.185 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.397 8.345 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.301 7.738 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.647 8.172 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.653 9.077 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.819 7.602 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.312 6.839 -0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.641 6.304 -1.839 1.00 0.00 H new ATOM 1457 N VAL A 95 0.518 2.485 -3.665 1.00 0.00 N ATOM 1458 CA VAL A 95 1.136 1.748 -2.578 1.00 0.00 C ATOM 1459 C VAL A 95 2.572 2.231 -2.379 1.00 0.00 C ATOM 1460 O VAL A 95 3.329 2.406 -3.333 1.00 0.00 O ATOM 1461 CB VAL A 95 1.079 0.219 -2.802 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.268 -0.117 -4.037 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.460 -0.389 -2.874 1.00 0.00 C ATOM 0 H VAL A 95 0.700 2.107 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 95 0.568 1.944 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 95 0.579 -0.219 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.243 -1.198 -4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.749 0.257 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.726 0.348 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.376 -1.464 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.011 0.058 -3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.990 -0.200 -1.941 1.00 0.00 H new ATOM 1473 N SER A 96 2.915 2.497 -1.139 1.00 0.00 N ATOM 1474 CA SER A 96 4.220 3.017 -0.779 1.00 0.00 C ATOM 1475 C SER A 96 4.494 2.623 0.660 1.00 0.00 C ATOM 1476 O SER A 96 3.623 2.067 1.310 1.00 0.00 O ATOM 1477 CB SER A 96 4.234 4.544 -0.933 1.00 0.00 C ATOM 1478 OG SER A 96 3.715 4.930 -2.201 1.00 0.00 O ATOM 0 H SER A 96 2.292 2.358 -0.343 1.00 0.00 H new ATOM 0 HA SER A 96 4.992 2.608 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.642 4.999 -0.139 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.253 4.915 -0.824 1.00 0.00 H new ATOM 0 HG SER A 96 3.660 4.145 -2.785 1.00 0.00 H new ATOM 1484 N TYR A 97 5.674 2.901 1.158 1.00 0.00 N ATOM 1485 CA TYR A 97 5.999 2.569 2.534 1.00 0.00 C ATOM 1486 C TYR A 97 5.342 3.566 3.466 1.00 0.00 C ATOM 1487 O TYR A 97 5.670 4.752 3.450 1.00 0.00 O ATOM 1488 CB TYR A 97 7.502 2.579 2.747 1.00 0.00 C ATOM 1489 CG TYR A 97 8.261 1.573 1.920 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.894 1.946 0.744 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.380 0.261 2.337 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.630 1.037 0.011 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.107 -0.658 1.607 1.00 0.00 C ATOM 1494 CZ TYR A 97 9.734 -0.265 0.448 1.00 0.00 C ATOM 1495 OH TYR A 97 10.474 -1.175 -0.272 1.00 0.00 O ATOM 0 H TYR A 97 6.426 3.354 0.638 1.00 0.00 H new ATOM 0 HA TYR A 97 5.626 1.568 2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.881 3.576 2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.707 2.392 3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.810 2.965 0.396 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.896 -0.051 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.122 1.345 -0.900 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.183 -1.681 1.945 1.00 0.00 H new ATOM 0 HH TYR A 97 10.355 -2.069 0.110 1.00 0.00 H new ATOM 1505 N ALA A 98 4.407 3.092 4.266 1.00 0.00 N ATOM 1506 CA ALA A 98 3.713 3.959 5.193 1.00 0.00 C ATOM 1507 C ALA A 98 4.670 4.395 6.288 1.00 0.00 C ATOM 1508 O ALA A 98 5.241 3.558 6.987 1.00 0.00 O ATOM 1509 CB ALA A 98 2.489 3.265 5.782 1.00 0.00 C ATOM 0 H ALA A 98 4.113 2.116 4.292 1.00 0.00 H new ATOM 0 HA ALA A 98 3.360 4.840 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.987 3.940 6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.804 2.993 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.801 2.366 6.313 1.00 0.00 H new