USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 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 32 ASN : amide:sc= 0.216 K(o=-2.1,f=-6.7!) USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -2.29! C(o=-5!,f=-2.1!) USER MOD Set 2.1: A 81 ASN : amide:sc= -0.582 K(o=0.019,f=-4.8!) USER MOD Set 2.2: A 82 THR OG1 : rot 60:sc= 0.601 USER MOD Set 3.1: A 22 THR OG1 : rot 71:sc= 0.758 USER MOD Set 3.2: A 69 ASN : amide:sc= -0.121 X(o=0.64,f=0.35) USER MOD Single : A 23 ASN : amide:sc= -2.7! K(o=-2.7!,f=-4.1) USER MOD Single : A 27 ASN : amide:sc= 0.0223 K(o=0.022,f=-0.97) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0358 F(o=-1.3,f=-0.036) USER MOD Single : A 33 MET CE :methyl 156:sc= -3.38! (180deg=-4.66) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.86! C(o=-6.4!,f=-4.9!) USER MOD Single : A 40 SER OG : rot 83:sc= 1.23 USER MOD Single : A 43 SER OG : rot -35:sc= 0.0388 USER MOD Single : A 44 SER OG : rot -61:sc= 1.25 USER MOD Single : A 50 SER OG : rot 43:sc= 0.0671 USER MOD Single : A 52 LYS NZ :NH3+ -168:sc= -0.0169 (180deg=-0.148) USER MOD Single : A 62 SER OG : rot 27:sc= 0.206 USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00887 USER MOD Single : A 70 TYR OH : rot -34:sc= -1.41! USER MOD Single : A 72 THR OG1 : rot -162:sc= 0.37 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.73! C(o=-4.7!,f=-11!) USER MOD Single : A 90 SER OG : rot -31:sc= 0.0707 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= -0.647 (180deg=-2.11!) USER MOD Single : A 96 SER OG : rot 1:sc= 0.969 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 7.930 -2.770 6.221 1.00 0.00 N ATOM 302 CA THR A 22 7.015 -3.834 5.845 1.00 0.00 C ATOM 303 C THR A 22 5.613 -3.269 5.664 1.00 0.00 C ATOM 304 O THR A 22 4.756 -3.881 5.027 1.00 0.00 O ATOM 305 CB THR A 22 6.994 -4.939 6.921 1.00 0.00 C ATOM 306 OG1 THR A 22 6.718 -4.364 8.207 1.00 0.00 O ATOM 307 CG2 THR A 22 8.329 -5.669 6.970 1.00 0.00 C ATOM 0 HA THR A 22 7.357 -4.268 4.906 1.00 0.00 H new ATOM 0 HB THR A 22 6.212 -5.653 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.782 -4.076 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.292 -6.444 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.530 -6.126 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.122 -4.961 7.209 1.00 0.00 H new ATOM 315 N ASN A 23 5.400 -2.090 6.233 1.00 0.00 N ATOM 316 CA ASN A 23 4.117 -1.408 6.157 1.00 0.00 C ATOM 317 C ASN A 23 3.978 -0.715 4.817 1.00 0.00 C ATOM 318 O ASN A 23 4.813 0.109 4.443 1.00 0.00 O ATOM 319 CB ASN A 23 4.016 -0.368 7.265 1.00 0.00 C ATOM 320 CG ASN A 23 2.610 0.176 7.433 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.630 -0.476 7.078 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.500 1.363 8.008 1.00 0.00 N ATOM 0 H ASN A 23 6.111 -1.581 6.759 1.00 0.00 H new ATOM 0 HA ASN A 23 3.322 -2.145 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.344 -0.812 8.205 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.696 0.456 7.047 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.578 1.767 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.337 1.873 8.289 1.00 0.00 H new ATOM 329 N LEU A 24 2.929 -1.038 4.098 1.00 0.00 N ATOM 330 CA LEU A 24 2.710 -0.459 2.794 1.00 0.00 C ATOM 331 C LEU A 24 1.441 0.373 2.781 1.00 0.00 C ATOM 332 O LEU A 24 0.333 -0.146 2.916 1.00 0.00 O ATOM 333 CB LEU A 24 2.644 -1.560 1.738 1.00 0.00 C ATOM 334 CG LEU A 24 3.636 -1.423 0.585 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.056 -1.265 1.101 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.550 -2.632 -0.310 1.00 0.00 C ATOM 0 H LEU A 24 2.212 -1.700 4.395 1.00 0.00 H new ATOM 0 HA LEU A 24 3.546 0.200 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.812 -2.519 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.635 -1.585 1.326 1.00 0.00 H new ATOM 0 HG LEU A 24 3.377 -0.529 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.741 -1.170 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.120 -0.372 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.328 -2.140 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.260 -2.528 -1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.787 -3.527 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.540 -2.716 -0.712 1.00 0.00 H new ATOM 348 N ILE A 25 1.619 1.670 2.633 1.00 0.00 N ATOM 349 CA ILE A 25 0.509 2.573 2.472 1.00 0.00 C ATOM 350 C ILE A 25 0.037 2.506 1.029 1.00 0.00 C ATOM 351 O ILE A 25 0.812 2.700 0.090 1.00 0.00 O ATOM 352 CB ILE A 25 0.876 4.027 2.856 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.389 4.879 2.894 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.920 4.612 1.911 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.139 6.344 3.168 1.00 0.00 C ATOM 0 H ILE A 25 2.534 2.121 2.622 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.290 2.266 3.147 1.00 0.00 H new ATOM 0 HB ILE A 25 1.326 4.024 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.908 4.782 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.056 4.486 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.152 5.633 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.826 4.007 1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.529 4.614 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.088 6.879 3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.351 6.455 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.501 6.756 2.388 1.00 0.00 H new ATOM 367 N VAL A 26 -1.214 2.166 0.849 1.00 0.00 N ATOM 368 CA VAL A 26 -1.761 2.032 -0.478 1.00 0.00 C ATOM 369 C VAL A 26 -2.818 3.082 -0.692 1.00 0.00 C ATOM 370 O VAL A 26 -3.902 3.018 -0.117 1.00 0.00 O ATOM 371 CB VAL A 26 -2.360 0.645 -0.705 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.684 0.442 -2.176 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.392 -0.405 -0.216 1.00 0.00 C ATOM 0 H VAL A 26 -1.873 1.977 1.604 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.949 2.165 -1.193 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.290 0.556 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.110 -0.551 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.403 1.196 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.772 0.535 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.818 -1.395 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.454 -0.319 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.204 -0.259 0.848 1.00 0.00 H new ATOM 383 N ASN A 27 -2.486 4.056 -1.498 1.00 0.00 N ATOM 384 CA ASN A 27 -3.385 5.151 -1.757 1.00 0.00 C ATOM 385 C ASN A 27 -4.171 4.863 -3.015 1.00 0.00 C ATOM 386 O ASN A 27 -3.931 3.858 -3.688 1.00 0.00 O ATOM 387 CB ASN A 27 -2.612 6.455 -1.919 1.00 0.00 C ATOM 388 CG ASN A 27 -3.254 7.609 -1.182 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.164 8.262 -1.692 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.762 7.887 0.014 1.00 0.00 N ATOM 0 H ASN A 27 -1.594 4.114 -1.989 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.065 5.257 -0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.594 6.317 -1.554 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.540 6.701 -2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.138 8.669 0.551 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.007 7.320 0.399 1.00 0.00 H new ATOM 397 N TYR A 28 -5.098 5.752 -3.322 1.00 0.00 N ATOM 398 CA TYR A 28 -5.904 5.661 -4.532 1.00 0.00 C ATOM 399 C TYR A 28 -6.746 4.383 -4.553 1.00 0.00 C ATOM 400 O TYR A 28 -7.095 3.878 -5.620 1.00 0.00 O ATOM 401 CB TYR A 28 -5.004 5.734 -5.769 1.00 0.00 C ATOM 402 CG TYR A 28 -4.138 6.974 -5.812 1.00 0.00 C ATOM 403 CD1 TYR A 28 -2.875 6.964 -5.237 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.579 8.148 -6.407 1.00 0.00 C ATOM 405 CE1 TYR A 28 -2.069 8.083 -5.249 1.00 0.00 C ATOM 406 CE2 TYR A 28 -3.779 9.276 -6.429 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.525 9.239 -5.847 1.00 0.00 C ATOM 408 OH TYR A 28 -1.725 10.357 -5.869 1.00 0.00 O ATOM 0 H TYR A 28 -5.316 6.561 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.593 6.506 -4.543 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.364 4.852 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.626 5.703 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.515 6.059 -4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.559 8.181 -6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.090 8.054 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.132 10.182 -6.899 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.193 11.085 -6.328 1.00 0.00 H new ATOM 418 N LEU A 29 -7.066 3.870 -3.370 1.00 0.00 N ATOM 419 CA LEU A 29 -7.949 2.715 -3.247 1.00 0.00 C ATOM 420 C LEU A 29 -9.348 3.084 -3.719 1.00 0.00 C ATOM 421 O LEU A 29 -9.784 4.229 -3.553 1.00 0.00 O ATOM 422 CB LEU A 29 -8.020 2.235 -1.793 1.00 0.00 C ATOM 423 CG LEU A 29 -6.708 1.728 -1.199 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.960 1.035 0.130 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.010 0.790 -2.165 1.00 0.00 C ATOM 0 H LEU A 29 -6.726 4.236 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.547 1.912 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.384 3.056 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.759 1.437 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.057 2.584 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.015 0.680 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.416 1.739 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.630 0.189 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.077 0.440 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.655 -0.063 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.795 1.318 -3.094 1.00 0.00 H new ATOM 437 N PRO A 30 -10.065 2.129 -4.327 1.00 0.00 N ATOM 438 CA PRO A 30 -11.452 2.339 -4.732 1.00 0.00 C ATOM 439 C PRO A 30 -12.314 2.728 -3.538 1.00 0.00 C ATOM 440 O PRO A 30 -12.173 2.166 -2.452 1.00 0.00 O ATOM 441 CB PRO A 30 -11.895 0.980 -5.266 1.00 0.00 C ATOM 442 CG PRO A 30 -10.638 0.256 -5.594 1.00 0.00 C ATOM 443 CD PRO A 30 -9.582 0.781 -4.666 1.00 0.00 C ATOM 0 HA PRO A 30 -11.548 3.141 -5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.479 0.437 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.526 1.091 -6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.766 -0.819 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.356 0.422 -6.634 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.480 0.156 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.604 0.814 -5.147 1.00 0.00 H new ATOM 451 N GLN A 31 -13.225 3.662 -3.756 1.00 0.00 N ATOM 452 CA GLN A 31 -14.010 4.238 -2.669 1.00 0.00 C ATOM 453 C GLN A 31 -14.982 3.225 -2.069 1.00 0.00 C ATOM 454 O GLN A 31 -15.537 3.447 -0.991 1.00 0.00 O ATOM 455 CB GLN A 31 -14.769 5.462 -3.173 1.00 0.00 C ATOM 456 CG GLN A 31 -13.854 6.535 -3.740 1.00 0.00 C ATOM 457 CD GLN A 31 -12.949 7.151 -2.691 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.773 6.572 -2.502 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.301 8.145 -2.059 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.442 4.041 -4.678 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.320 4.534 -1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.477 5.153 -3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.352 5.884 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.243 6.103 -4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.459 7.318 -4.196 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.215 8.563 -2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.679 8.552 -1.361 1.00 0.00 H new ATOM 468 N ASN A 32 -15.177 2.112 -2.766 1.00 0.00 N ATOM 469 CA ASN A 32 -16.111 1.085 -2.330 1.00 0.00 C ATOM 470 C ASN A 32 -15.406 -0.248 -2.071 1.00 0.00 C ATOM 471 O ASN A 32 -16.055 -1.290 -1.974 1.00 0.00 O ATOM 472 CB ASN A 32 -17.195 0.883 -3.391 1.00 0.00 C ATOM 473 CG ASN A 32 -16.651 0.307 -4.690 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.509 0.569 -5.076 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.460 -0.493 -5.366 1.00 0.00 N ATOM 0 H ASN A 32 -14.697 1.898 -3.640 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.558 1.423 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.962 0.217 -2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.678 1.838 -3.597 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.146 -0.917 -6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.398 -0.686 -5.014 1.00 0.00 H new ATOM 482 N MET A 33 -14.083 -0.227 -1.977 1.00 0.00 N ATOM 483 CA MET A 33 -13.329 -1.455 -1.748 1.00 0.00 C ATOM 484 C MET A 33 -13.296 -1.808 -0.262 1.00 0.00 C ATOM 485 O MET A 33 -13.734 -1.024 0.580 1.00 0.00 O ATOM 486 CB MET A 33 -11.911 -1.309 -2.284 1.00 0.00 C ATOM 487 CG MET A 33 -11.431 -2.544 -3.020 1.00 0.00 C ATOM 488 SD MET A 33 -9.783 -2.360 -3.713 1.00 0.00 S ATOM 489 CE MET A 33 -8.854 -1.826 -2.279 1.00 0.00 C ATOM 0 H MET A 33 -13.514 0.616 -2.055 1.00 0.00 H new ATOM 0 HA MET A 33 -13.829 -2.265 -2.280 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.868 -0.452 -2.956 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.234 -1.099 -1.456 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.438 -3.392 -2.336 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.132 -2.776 -3.822 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.801 -2.074 -2.414 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.960 -0.748 -2.158 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.234 -2.330 -1.391 1.00 0.00 H new ATOM 499 N THR A 34 -12.793 -3.002 0.049 1.00 0.00 N ATOM 500 CA THR A 34 -12.725 -3.474 1.426 1.00 0.00 C ATOM 501 C THR A 34 -11.286 -3.699 1.855 1.00 0.00 C ATOM 502 O THR A 34 -10.379 -3.685 1.017 1.00 0.00 O ATOM 503 CB THR A 34 -13.492 -4.805 1.608 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.770 -5.876 0.989 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.870 -4.720 0.986 1.00 0.00 C ATOM 0 H THR A 34 -12.426 -3.660 -0.639 1.00 0.00 H new ATOM 0 HA THR A 34 -13.183 -2.700 2.042 1.00 0.00 H new ATOM 0 HB THR A 34 -13.592 -4.993 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.262 -6.715 1.110 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.391 -5.667 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.436 -3.920 1.463 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.776 -4.512 -0.080 1.00 0.00 H new ATOM 513 N GLN A 35 -11.076 -3.896 3.155 1.00 0.00 N ATOM 514 CA GLN A 35 -9.774 -4.313 3.652 1.00 0.00 C ATOM 515 C GLN A 35 -9.339 -5.569 2.941 1.00 0.00 C ATOM 516 O GLN A 35 -8.237 -5.641 2.445 1.00 0.00 O ATOM 517 CB GLN A 35 -9.786 -4.613 5.154 1.00 0.00 C ATOM 518 CG GLN A 35 -10.149 -3.444 6.046 1.00 0.00 C ATOM 519 CD GLN A 35 -11.621 -3.067 5.997 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.487 -4.041 5.749 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.979 -1.908 6.183 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.787 -3.774 3.876 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.089 -3.486 3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.491 -5.423 5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.800 -4.976 5.443 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.880 -3.687 7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.552 -2.579 5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.286 -1.184 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.970 -1.669 6.149 1.00 0.00 H new ATOM 530 N ASP A 36 -10.241 -6.535 2.877 1.00 0.00 N ATOM 531 CA ASP A 36 -9.945 -7.853 2.321 1.00 0.00 C ATOM 532 C ASP A 36 -9.539 -7.764 0.859 1.00 0.00 C ATOM 533 O ASP A 36 -8.699 -8.526 0.408 1.00 0.00 O ATOM 534 CB ASP A 36 -11.169 -8.754 2.453 1.00 0.00 C ATOM 535 CG ASP A 36 -10.888 -10.169 1.990 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.250 -10.931 2.747 1.00 0.00 O ATOM 537 OD2 ASP A 36 -11.296 -10.524 0.864 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.200 -6.431 3.208 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.109 -8.272 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.495 -8.771 3.493 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.990 -8.338 1.868 1.00 0.00 H new ATOM 542 N GLU A 37 -10.135 -6.845 0.120 1.00 0.00 N ATOM 543 CA GLU A 37 -9.748 -6.631 -1.267 1.00 0.00 C ATOM 544 C GLU A 37 -8.341 -6.055 -1.318 1.00 0.00 C ATOM 545 O GLU A 37 -7.473 -6.551 -2.038 1.00 0.00 O ATOM 546 CB GLU A 37 -10.724 -5.675 -1.944 1.00 0.00 C ATOM 547 CG GLU A 37 -12.162 -6.170 -1.968 1.00 0.00 C ATOM 548 CD GLU A 37 -12.343 -7.401 -2.829 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.192 -7.301 -4.065 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.664 -8.474 -2.277 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.884 -6.238 0.452 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.769 -7.585 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.690 -4.714 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.394 -5.501 -2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.482 -6.394 -0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.809 -5.375 -2.338 1.00 0.00 H new ATOM 557 N LEU A 38 -8.131 -5.020 -0.514 1.00 0.00 N ATOM 558 CA LEU A 38 -6.830 -4.389 -0.360 1.00 0.00 C ATOM 559 C LEU A 38 -5.823 -5.415 0.186 1.00 0.00 C ATOM 560 O LEU A 38 -4.637 -5.387 -0.121 1.00 0.00 O ATOM 561 CB LEU A 38 -7.015 -3.175 0.585 1.00 0.00 C ATOM 562 CG LEU A 38 -5.777 -2.338 0.919 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.086 -2.874 2.154 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.829 -2.297 -0.264 1.00 0.00 C ATOM 0 H LEU A 38 -8.864 -4.594 0.052 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.432 -4.037 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.757 -2.513 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.436 -3.540 1.522 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.096 -1.318 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.209 -2.265 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.773 -2.839 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.777 -3.905 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.955 -1.698 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.514 -3.310 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.336 -1.853 -1.121 1.00 0.00 H new ATOM 576 N ARG A 39 -6.341 -6.344 0.961 1.00 0.00 N ATOM 577 CA ARG A 39 -5.560 -7.355 1.632 1.00 0.00 C ATOM 578 C ARG A 39 -5.211 -8.502 0.672 1.00 0.00 C ATOM 579 O ARG A 39 -4.071 -8.952 0.631 1.00 0.00 O ATOM 580 CB ARG A 39 -6.386 -7.851 2.831 1.00 0.00 C ATOM 581 CG ARG A 39 -5.630 -8.593 3.879 1.00 0.00 C ATOM 582 CD ARG A 39 -5.453 -10.010 3.437 1.00 0.00 C ATOM 583 NE ARG A 39 -6.725 -10.672 3.133 1.00 0.00 N ATOM 584 CZ ARG A 39 -6.857 -11.986 2.930 1.00 0.00 C ATOM 585 NH1 ARG A 39 -5.800 -12.788 3.024 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -8.049 -12.500 2.646 1.00 0.00 N ATOM 0 H ARG A 39 -7.342 -6.417 1.145 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.612 -6.944 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.867 -6.991 3.297 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.181 -8.497 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.659 -8.126 4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.167 -8.558 4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.816 -10.033 2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.936 -10.568 4.218 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.562 -10.093 3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.884 -12.400 3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.905 -13.791 2.868 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.865 -11.891 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.148 -13.503 2.491 1.00 0.00 H new ATOM 600 N SER A 40 -6.190 -8.956 -0.109 1.00 0.00 N ATOM 601 CA SER A 40 -6.010 -10.121 -0.975 1.00 0.00 C ATOM 602 C SER A 40 -5.183 -9.777 -2.211 1.00 0.00 C ATOM 603 O SER A 40 -4.430 -10.607 -2.712 1.00 0.00 O ATOM 604 CB SER A 40 -7.364 -10.699 -1.391 1.00 0.00 C ATOM 605 OG SER A 40 -8.134 -11.053 -0.253 1.00 0.00 O ATOM 0 H SER A 40 -7.117 -8.534 -0.160 1.00 0.00 H new ATOM 0 HA SER A 40 -5.466 -10.873 -0.403 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.907 -9.968 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.212 -11.576 -2.020 1.00 0.00 H new ATOM 0 HG SER A 40 -8.597 -10.260 0.089 1.00 0.00 H new ATOM 611 N LEU A 41 -5.321 -8.552 -2.693 1.00 0.00 N ATOM 612 CA LEU A 41 -4.533 -8.077 -3.815 1.00 0.00 C ATOM 613 C LEU A 41 -3.066 -8.022 -3.431 1.00 0.00 C ATOM 614 O LEU A 41 -2.197 -8.334 -4.233 1.00 0.00 O ATOM 615 CB LEU A 41 -5.070 -6.711 -4.241 1.00 0.00 C ATOM 616 CG LEU A 41 -4.558 -6.146 -5.566 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.411 -5.182 -5.330 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.131 -7.263 -6.513 1.00 0.00 C ATOM 0 H LEU A 41 -5.977 -7.866 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.615 -8.759 -4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.156 -6.777 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.835 -5.994 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.377 -5.601 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.061 -4.791 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.752 -4.357 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.594 -5.703 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.772 -6.831 -7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.333 -7.846 -6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.983 -7.912 -6.718 1.00 0.00 H new ATOM 630 N PHE A 42 -2.788 -7.659 -2.201 1.00 0.00 N ATOM 631 CA PHE A 42 -1.427 -7.689 -1.711 1.00 0.00 C ATOM 632 C PHE A 42 -1.051 -9.102 -1.293 1.00 0.00 C ATOM 633 O PHE A 42 0.118 -9.481 -1.298 1.00 0.00 O ATOM 634 CB PHE A 42 -1.247 -6.665 -0.591 1.00 0.00 C ATOM 635 CG PHE A 42 -1.185 -5.269 -1.138 1.00 0.00 C ATOM 636 CD1 PHE A 42 0.002 -4.545 -1.118 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.304 -4.695 -1.721 1.00 0.00 C ATOM 638 CE1 PHE A 42 0.058 -3.283 -1.671 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.245 -3.436 -2.264 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.063 -2.736 -2.241 1.00 0.00 C ATOM 0 H PHE A 42 -3.481 -7.341 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.741 -7.405 -2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.073 -6.745 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.333 -6.883 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.885 -4.973 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.233 -5.245 -1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.983 -2.726 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.126 -2.996 -2.708 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.016 -1.748 -2.675 1.00 0.00 H new ATOM 650 N SER A 43 -2.059 -9.904 -0.990 1.00 0.00 N ATOM 651 CA SER A 43 -1.849 -11.314 -0.727 1.00 0.00 C ATOM 652 C SER A 43 -1.481 -12.029 -2.032 1.00 0.00 C ATOM 653 O SER A 43 -1.062 -13.189 -2.027 1.00 0.00 O ATOM 654 CB SER A 43 -3.102 -11.941 -0.107 1.00 0.00 C ATOM 655 OG SER A 43 -2.825 -13.216 0.453 1.00 0.00 O ATOM 0 H SER A 43 -3.030 -9.600 -0.921 1.00 0.00 H new ATOM 0 HA SER A 43 -1.031 -11.424 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.496 -11.281 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.876 -12.038 -0.868 1.00 0.00 H new ATOM 0 HG SER A 43 -2.150 -13.673 -0.092 1.00 0.00 H new ATOM 661 N SER A 44 -1.648 -11.329 -3.157 1.00 0.00 N ATOM 662 CA SER A 44 -1.258 -11.862 -4.451 1.00 0.00 C ATOM 663 C SER A 44 0.261 -11.822 -4.572 1.00 0.00 C ATOM 664 O SER A 44 0.883 -12.734 -5.124 1.00 0.00 O ATOM 665 CB SER A 44 -1.927 -11.075 -5.594 1.00 0.00 C ATOM 666 OG SER A 44 -1.185 -9.917 -5.941 1.00 0.00 O ATOM 0 H SER A 44 -2.051 -10.393 -3.191 1.00 0.00 H new ATOM 0 HA SER A 44 -1.594 -12.896 -4.530 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.027 -11.718 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.934 -10.785 -5.295 1.00 0.00 H new ATOM 0 HG SER A 44 -1.135 -9.317 -5.168 1.00 0.00 H new ATOM 672 N ILE A 45 0.847 -10.760 -4.030 1.00 0.00 N ATOM 673 CA ILE A 45 2.299 -10.644 -3.930 1.00 0.00 C ATOM 674 C ILE A 45 2.854 -11.697 -2.976 1.00 0.00 C ATOM 675 O ILE A 45 3.824 -12.390 -3.284 1.00 0.00 O ATOM 676 CB ILE A 45 2.707 -9.236 -3.439 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.449 -8.207 -4.530 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.174 -9.195 -3.022 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.511 -8.190 -5.591 1.00 0.00 C ATOM 0 H ILE A 45 0.336 -9.963 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 45 2.716 -10.804 -4.924 1.00 0.00 H new ATOM 0 HB ILE A 45 2.101 -8.998 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.484 -8.413 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.380 -7.217 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.428 -8.191 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.342 -9.905 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.802 -9.459 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.267 -7.435 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.474 -7.954 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.564 -9.169 -6.068 1.00 0.00 H new ATOM 691 N GLY A 46 2.204 -11.836 -1.838 1.00 0.00 N ATOM 692 CA GLY A 46 2.677 -12.741 -0.815 1.00 0.00 C ATOM 693 C GLY A 46 1.816 -12.671 0.418 1.00 0.00 C ATOM 694 O GLY A 46 0.659 -12.270 0.339 1.00 0.00 O ATOM 0 H GLY A 46 1.348 -11.334 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.680 -13.760 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.707 -12.495 -0.556 1.00 0.00 H new ATOM 698 N GLU A 47 2.357 -13.056 1.559 1.00 0.00 N ATOM 699 CA GLU A 47 1.597 -13.002 2.785 1.00 0.00 C ATOM 700 C GLU A 47 1.496 -11.605 3.338 1.00 0.00 C ATOM 701 O GLU A 47 2.475 -10.860 3.408 1.00 0.00 O ATOM 702 CB GLU A 47 2.161 -13.917 3.840 1.00 0.00 C ATOM 703 CG GLU A 47 1.313 -15.144 4.028 1.00 0.00 C ATOM 704 CD GLU A 47 -0.143 -14.914 3.686 1.00 0.00 C ATOM 705 OE1 GLU A 47 -0.844 -14.228 4.462 1.00 0.00 O ATOM 706 OE2 GLU A 47 -0.594 -15.419 2.638 1.00 0.00 O1- ATOM 0 H GLU A 47 3.310 -13.405 1.658 1.00 0.00 H new ATOM 0 HA GLU A 47 0.595 -13.342 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.172 -14.214 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.236 -13.379 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.704 -15.948 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.389 -15.477 5.063 1.00 0.00 H new ATOM 713 N VAL A 48 0.304 -11.289 3.776 1.00 0.00 N ATOM 714 CA VAL A 48 0.004 -9.983 4.318 1.00 0.00 C ATOM 715 C VAL A 48 -0.291 -10.108 5.781 1.00 0.00 C ATOM 716 O VAL A 48 -1.220 -10.796 6.204 1.00 0.00 O ATOM 717 CB VAL A 48 -1.167 -9.297 3.579 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.575 -8.019 4.296 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.776 -9.007 2.141 1.00 0.00 C ATOM 0 H VAL A 48 -0.490 -11.930 3.768 1.00 0.00 H new ATOM 0 HA VAL A 48 0.878 -9.348 4.173 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.024 -9.971 3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.401 -7.550 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.889 -8.256 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.728 -7.334 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.608 -8.524 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.092 -8.348 2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.531 -9.941 1.635 1.00 0.00 H new ATOM 729 N GLU A 49 0.547 -9.444 6.543 1.00 0.00 N ATOM 730 CA GLU A 49 0.496 -9.505 7.969 1.00 0.00 C ATOM 731 C GLU A 49 -0.765 -8.817 8.473 1.00 0.00 C ATOM 732 O GLU A 49 -1.512 -9.372 9.278 1.00 0.00 O ATOM 733 CB GLU A 49 1.735 -8.860 8.548 1.00 0.00 C ATOM 734 CG GLU A 49 1.757 -8.936 10.055 1.00 0.00 C ATOM 735 CD GLU A 49 3.043 -8.435 10.663 1.00 0.00 C ATOM 736 OE1 GLU A 49 3.026 -7.360 11.294 1.00 0.00 O ATOM 737 OE2 GLU A 49 4.080 -9.112 10.512 1.00 0.00 O1- ATOM 0 H GLU A 49 1.287 -8.844 6.178 1.00 0.00 H new ATOM 0 HA GLU A 49 0.466 -10.546 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.621 -9.351 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.780 -7.816 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.925 -8.354 10.453 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.598 -9.970 10.361 1.00 0.00 H new ATOM 744 N SER A 50 -1.006 -7.612 7.974 1.00 0.00 N ATOM 745 CA SER A 50 -2.220 -6.885 8.316 1.00 0.00 C ATOM 746 C SER A 50 -2.534 -5.842 7.255 1.00 0.00 C ATOM 747 O SER A 50 -1.678 -5.040 6.897 1.00 0.00 O ATOM 748 CB SER A 50 -2.060 -6.215 9.684 1.00 0.00 C ATOM 749 OG SER A 50 -0.875 -5.435 9.737 1.00 0.00 O ATOM 0 H SER A 50 -0.381 -7.120 7.335 1.00 0.00 H new ATOM 0 HA SER A 50 -3.049 -7.592 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.924 -5.582 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.033 -6.976 10.464 1.00 0.00 H new ATOM 0 HG SER A 50 -0.775 -4.934 8.901 1.00 0.00 H new ATOM 755 N ALA A 51 -3.757 -5.844 6.752 1.00 0.00 N ATOM 756 CA ALA A 51 -4.158 -4.856 5.770 1.00 0.00 C ATOM 757 C ALA A 51 -5.353 -4.061 6.259 1.00 0.00 C ATOM 758 O ALA A 51 -6.413 -4.615 6.551 1.00 0.00 O ATOM 759 CB ALA A 51 -4.439 -5.490 4.421 1.00 0.00 C ATOM 0 H ALA A 51 -4.483 -6.514 7.006 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.324 -4.167 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.737 -4.718 3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.540 -5.989 4.059 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.243 -6.219 4.522 1.00 0.00 H new ATOM 765 N LYS A 52 -5.158 -2.763 6.364 1.00 0.00 N ATOM 766 CA LYS A 52 -6.163 -1.870 6.882 1.00 0.00 C ATOM 767 C LYS A 52 -6.745 -1.025 5.761 1.00 0.00 C ATOM 768 O LYS A 52 -6.014 -0.536 4.901 1.00 0.00 O ATOM 769 CB LYS A 52 -5.524 -0.966 7.925 1.00 0.00 C ATOM 770 CG LYS A 52 -6.479 0.006 8.578 1.00 0.00 C ATOM 771 CD LYS A 52 -5.710 1.153 9.191 1.00 0.00 C ATOM 772 CE LYS A 52 -4.863 0.700 10.366 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.691 0.261 11.518 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.292 -2.299 6.090 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.968 -2.451 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.072 -1.587 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.717 -0.404 7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.186 0.385 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.061 -0.504 9.346 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.069 1.606 8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.407 1.923 9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.217 -0.120 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.212 1.516 10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.088 0.155 12.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.427 0.971 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.139 -0.651 11.296 1.00 0.00 H new ATOM 787 N LEU A 53 -8.051 -0.856 5.779 1.00 0.00 N ATOM 788 CA LEU A 53 -8.723 0.004 4.829 1.00 0.00 C ATOM 789 C LEU A 53 -9.287 1.200 5.570 1.00 0.00 C ATOM 790 O LEU A 53 -9.888 1.049 6.634 1.00 0.00 O ATOM 791 CB LEU A 53 -9.840 -0.757 4.119 1.00 0.00 C ATOM 792 CG LEU A 53 -10.688 0.066 3.155 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.186 -0.105 1.736 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.146 -0.341 3.255 1.00 0.00 C ATOM 0 H LEU A 53 -8.673 -1.308 6.449 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.013 0.341 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.397 -1.586 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.497 -1.190 4.873 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.604 1.118 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.801 0.488 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.151 0.230 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.245 -1.156 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.739 0.255 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.247 -1.397 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.501 -0.174 4.272 1.00 0.00 H new ATOM 806 N ILE A 54 -9.078 2.379 5.027 1.00 0.00 N ATOM 807 CA ILE A 54 -9.508 3.596 5.688 1.00 0.00 C ATOM 808 C ILE A 54 -10.832 4.067 5.116 1.00 0.00 C ATOM 809 O ILE A 54 -10.944 4.300 3.910 1.00 0.00 O ATOM 810 CB ILE A 54 -8.472 4.721 5.526 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.078 4.239 5.945 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.882 5.949 6.327 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.011 3.671 7.346 1.00 0.00 C ATOM 0 H ILE A 54 -8.614 2.523 4.130 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.618 3.367 6.748 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.433 4.999 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.742 3.478 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.380 5.073 5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.136 6.733 6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.849 6.307 5.974 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.955 5.687 7.383 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.991 3.354 7.562 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.313 4.434 8.063 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.681 2.815 7.424 1.00 0.00 H new ATOM 934 N SER A 62 -14.730 4.143 1.747 1.00 0.00 N ATOM 935 CA SER A 62 -13.283 4.216 1.799 1.00 0.00 C ATOM 936 C SER A 62 -12.822 5.596 1.356 1.00 0.00 C ATOM 937 O SER A 62 -13.374 6.174 0.420 1.00 0.00 O ATOM 938 CB SER A 62 -12.647 3.136 0.920 1.00 0.00 C ATOM 939 OG SER A 62 -11.232 3.158 1.028 1.00 0.00 O ATOM 0 HA SER A 62 -12.964 4.043 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.022 2.156 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.938 3.290 -0.119 1.00 0.00 H new ATOM 0 HG SER A 62 -10.976 3.521 1.902 1.00 0.00 H new ATOM 945 N LEU A 63 -11.817 6.121 2.037 1.00 0.00 N ATOM 946 CA LEU A 63 -11.331 7.464 1.766 1.00 0.00 C ATOM 947 C LEU A 63 -10.217 7.443 0.727 1.00 0.00 C ATOM 948 O LEU A 63 -9.580 8.463 0.460 1.00 0.00 O ATOM 949 CB LEU A 63 -10.854 8.123 3.061 1.00 0.00 C ATOM 950 CG LEU A 63 -11.924 8.242 4.151 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.388 8.996 5.356 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.175 8.923 3.611 1.00 0.00 C ATOM 0 H LEU A 63 -11.320 5.636 2.784 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.153 8.052 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.015 7.551 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.479 9.120 2.829 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.192 7.234 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.166 9.067 6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.529 8.465 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.084 9.998 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.920 8.996 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.922 9.923 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.580 8.338 2.785 1.00 0.00 H new ATOM 964 N GLY A 64 -9.988 6.275 0.145 1.00 0.00 N ATOM 965 CA GLY A 64 -9.051 6.167 -0.953 1.00 0.00 C ATOM 966 C GLY A 64 -7.629 5.890 -0.516 1.00 0.00 C ATOM 967 O GLY A 64 -6.688 6.307 -1.187 1.00 0.00 O ATOM 0 H GLY A 64 -10.435 5.399 0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.378 5.370 -1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.071 7.093 -1.528 1.00 0.00 H new ATOM 971 N TYR A 65 -7.465 5.193 0.600 1.00 0.00 N ATOM 972 CA TYR A 65 -6.138 4.759 1.031 1.00 0.00 C ATOM 973 C TYR A 65 -6.232 3.745 2.165 1.00 0.00 C ATOM 974 O TYR A 65 -7.281 3.598 2.794 1.00 0.00 O ATOM 975 CB TYR A 65 -5.250 5.949 1.434 1.00 0.00 C ATOM 976 CG TYR A 65 -5.643 6.667 2.697 1.00 0.00 C ATOM 977 CD1 TYR A 65 -4.902 6.495 3.855 1.00 0.00 C ATOM 978 CD2 TYR A 65 -6.722 7.538 2.727 1.00 0.00 C ATOM 979 CE1 TYR A 65 -5.222 7.168 5.009 1.00 0.00 C ATOM 980 CE2 TYR A 65 -7.053 8.213 3.882 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.300 8.027 5.022 1.00 0.00 C ATOM 982 OH TYR A 65 -6.619 8.711 6.176 1.00 0.00 O ATOM 0 H TYR A 65 -8.226 4.916 1.221 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.666 4.272 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.226 5.591 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.248 6.669 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.059 5.820 3.850 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.310 7.689 1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.632 7.025 5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.899 8.885 3.894 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.404 9.275 6.016 1.00 0.00 H new ATOM 992 N GLY A 66 -5.135 3.035 2.393 1.00 0.00 N ATOM 993 CA GLY A 66 -5.084 2.026 3.430 1.00 0.00 C ATOM 994 C GLY A 66 -3.659 1.632 3.762 1.00 0.00 C ATOM 995 O GLY A 66 -2.715 2.189 3.201 1.00 0.00 O ATOM 0 H GLY A 66 -4.267 3.144 1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.576 2.402 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.639 1.145 3.108 1.00 0.00 H new ATOM 999 N PHE A 67 -3.498 0.667 4.658 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.178 0.274 5.136 1.00 0.00 C ATOM 1001 C PHE A 67 -2.063 -1.245 5.220 1.00 0.00 C ATOM 1002 O PHE A 67 -2.663 -1.867 6.096 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.919 0.871 6.529 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.954 2.375 6.582 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -3.141 3.047 6.832 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -0.800 3.115 6.393 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -3.174 4.427 6.891 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -0.827 4.496 6.450 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.015 5.153 6.698 1.00 0.00 C ATOM 0 H PHE A 67 -4.268 0.140 5.070 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.439 0.651 4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.663 0.479 7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.945 0.531 6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.051 2.485 6.982 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.133 2.607 6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.105 4.938 7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.081 5.061 6.300 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.038 6.232 6.741 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.295 -1.840 4.322 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.051 -3.270 4.368 1.00 0.00 C ATOM 1021 C VAL A 68 0.397 -3.564 4.742 1.00 0.00 C ATOM 1022 O VAL A 68 1.332 -3.241 4.017 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.468 -3.981 3.048 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.667 -2.980 1.938 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.485 -5.071 2.621 1.00 0.00 C ATOM 0 H VAL A 68 -0.831 -1.355 3.554 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.686 -3.684 5.151 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.417 -4.477 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.958 -3.501 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.450 -2.276 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.737 -2.438 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.830 -5.530 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.500 -4.631 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.423 -5.830 3.400 1.00 0.00 H new ATOM 1035 N ASN A 69 0.556 -4.134 5.918 1.00 0.00 N ATOM 1036 CA ASN A 69 1.849 -4.550 6.412 1.00 0.00 C ATOM 1037 C ASN A 69 2.117 -5.963 5.950 1.00 0.00 C ATOM 1038 O ASN A 69 1.320 -6.862 6.206 1.00 0.00 O ATOM 1039 CB ASN A 69 1.876 -4.506 7.940 1.00 0.00 C ATOM 1040 CG ASN A 69 3.280 -4.597 8.510 1.00 0.00 C ATOM 1041 OD1 ASN A 69 3.973 -3.592 8.656 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.704 -5.799 8.853 1.00 0.00 N ATOM 0 H ASN A 69 -0.213 -4.322 6.561 1.00 0.00 H new ATOM 0 HA ASN A 69 2.613 -3.874 6.028 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.411 -3.581 8.280 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.276 -5.327 8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.635 -5.916 9.254 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.101 -6.610 8.717 1.00 0.00 H new ATOM 1049 N TYR A 70 3.212 -6.157 5.256 1.00 0.00 N ATOM 1050 CA TYR A 70 3.583 -7.477 4.797 1.00 0.00 C ATOM 1051 C TYR A 70 4.340 -8.231 5.872 1.00 0.00 C ATOM 1052 O TYR A 70 4.821 -7.648 6.844 1.00 0.00 O ATOM 1053 CB TYR A 70 4.452 -7.383 3.545 1.00 0.00 C ATOM 1054 CG TYR A 70 3.692 -7.307 2.250 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.668 -6.142 1.497 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.021 -8.416 1.768 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.990 -6.093 0.299 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.340 -8.374 0.574 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.330 -7.212 -0.158 1.00 0.00 C ATOM 1060 OH TYR A 70 1.658 -7.171 -1.353 1.00 0.00 O ATOM 0 H TYR A 70 3.864 -5.417 4.995 1.00 0.00 H new ATOM 0 HA TYR A 70 2.665 -8.016 4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.089 -6.502 3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.111 -8.251 3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.186 -5.264 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.032 -9.332 2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.976 -5.181 -0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.817 -9.248 0.215 1.00 0.00 H new ATOM 0 HH TYR A 70 1.276 -6.278 -1.483 1.00 0.00 H new ATOM 1070 N VAL A 71 4.432 -9.540 5.690 1.00 0.00 N ATOM 1071 CA VAL A 71 5.206 -10.386 6.586 1.00 0.00 C ATOM 1072 C VAL A 71 6.687 -10.285 6.233 1.00 0.00 C ATOM 1073 O VAL A 71 7.555 -10.799 6.936 1.00 0.00 O ATOM 1074 CB VAL A 71 4.752 -11.855 6.501 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.268 -11.966 6.820 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.053 -12.439 5.126 1.00 0.00 C ATOM 0 H VAL A 71 3.978 -10.041 4.926 1.00 0.00 H new ATOM 0 HA VAL A 71 5.043 -10.039 7.607 1.00 0.00 H new ATOM 0 HB VAL A 71 5.311 -12.431 7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.959 -13.009 6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.084 -11.594 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.697 -11.374 6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.723 -13.477 5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.526 -11.865 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.126 -12.393 4.938 1.00 0.00 H new ATOM 1086 N THR A 72 6.946 -9.619 5.117 1.00 0.00 N ATOM 1087 CA THR A 72 8.287 -9.385 4.621 1.00 0.00 C ATOM 1088 C THR A 72 8.442 -7.934 4.209 1.00 0.00 C ATOM 1089 O THR A 72 7.458 -7.239 3.964 1.00 0.00 O ATOM 1090 CB THR A 72 8.568 -10.233 3.370 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.422 -10.212 2.516 1.00 0.00 O ATOM 1092 CG2 THR A 72 8.939 -11.659 3.709 1.00 0.00 C ATOM 0 H THR A 72 6.217 -9.222 4.525 1.00 0.00 H new ATOM 0 HA THR A 72 8.978 -9.648 5.422 1.00 0.00 H new ATOM 0 HB THR A 72 9.426 -9.796 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.478 -10.951 1.875 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.127 -12.214 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.837 -11.664 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.120 -12.128 4.255 1.00 0.00 H new ATOM 1100 N ALA A 73 9.673 -7.479 4.133 1.00 0.00 N ATOM 1101 CA ALA A 73 9.963 -6.230 3.460 1.00 0.00 C ATOM 1102 C ALA A 73 10.252 -6.537 1.998 1.00 0.00 C ATOM 1103 O ALA A 73 10.194 -5.668 1.130 1.00 0.00 O ATOM 1104 CB ALA A 73 11.130 -5.521 4.119 1.00 0.00 C ATOM 0 H ALA A 73 10.487 -7.952 4.527 1.00 0.00 H new ATOM 0 HA ALA A 73 9.108 -5.558 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.329 -4.585 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.887 -5.310 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.014 -6.157 4.075 1.00 0.00 H new ATOM 1110 N LYS A 74 10.540 -7.808 1.760 1.00 0.00 N ATOM 1111 CA LYS A 74 10.782 -8.340 0.429 1.00 0.00 C ATOM 1112 C LYS A 74 9.535 -8.223 -0.446 1.00 0.00 C ATOM 1113 O LYS A 74 9.603 -7.715 -1.568 1.00 0.00 O ATOM 1114 CB LYS A 74 11.242 -9.796 0.582 1.00 0.00 C ATOM 1115 CG LYS A 74 11.211 -10.605 -0.691 1.00 0.00 C ATOM 1116 CD LYS A 74 10.073 -11.602 -0.655 1.00 0.00 C ATOM 1117 CE LYS A 74 9.693 -12.033 -2.051 1.00 0.00 C ATOM 1118 NZ LYS A 74 10.665 -13.008 -2.613 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.613 -8.508 2.498 1.00 0.00 H new ATOM 0 HA LYS A 74 11.559 -7.764 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.259 -9.802 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.611 -10.286 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.095 -9.942 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.158 -11.129 -0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.365 -12.473 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.210 -11.158 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.699 -12.479 -2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.640 -11.158 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.369 -13.279 -3.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.609 -12.574 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.697 -13.854 -2.008 1.00 0.00 H new ATOM 1132 N ASP A 75 8.400 -8.667 0.070 1.00 0.00 N ATOM 1133 CA ASP A 75 7.140 -8.584 -0.670 1.00 0.00 C ATOM 1134 C ASP A 75 6.581 -7.161 -0.645 1.00 0.00 C ATOM 1135 O ASP A 75 5.721 -6.815 -1.448 1.00 0.00 O ATOM 1136 CB ASP A 75 6.110 -9.579 -0.124 1.00 0.00 C ATOM 1137 CG ASP A 75 6.458 -11.025 -0.448 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.492 -11.383 -1.647 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.705 -11.810 0.497 1.00 0.00 O1- ATOM 0 H ASP A 75 8.320 -9.088 0.995 1.00 0.00 H new ATOM 0 HA ASP A 75 7.349 -8.849 -1.706 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.036 -9.461 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.130 -9.344 -0.538 1.00 0.00 H new ATOM 1144 N ALA A 76 7.081 -6.335 0.269 1.00 0.00 N ATOM 1145 CA ALA A 76 6.686 -4.925 0.327 1.00 0.00 C ATOM 1146 C ALA A 76 7.132 -4.201 -0.938 1.00 0.00 C ATOM 1147 O ALA A 76 6.313 -3.672 -1.689 1.00 0.00 O ATOM 1148 CB ALA A 76 7.283 -4.252 1.558 1.00 0.00 C ATOM 0 H ALA A 76 7.758 -6.613 0.979 1.00 0.00 H new ATOM 0 HA ALA A 76 5.600 -4.873 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.979 -3.206 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.927 -4.756 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.370 -4.313 1.514 1.00 0.00 H new ATOM 1154 N GLU A 77 8.439 -4.200 -1.170 1.00 0.00 N ATOM 1155 CA GLU A 77 9.016 -3.664 -2.400 1.00 0.00 C ATOM 1156 C GLU A 77 8.413 -4.368 -3.608 1.00 0.00 C ATOM 1157 O GLU A 77 8.196 -3.757 -4.656 1.00 0.00 O ATOM 1158 CB GLU A 77 10.535 -3.869 -2.361 1.00 0.00 C ATOM 1159 CG GLU A 77 11.234 -3.653 -3.693 1.00 0.00 C ATOM 1160 CD GLU A 77 12.713 -3.959 -3.617 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.093 -5.119 -3.878 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.505 -3.051 -3.288 1.00 0.00 O1- ATOM 0 H GLU A 77 9.128 -4.569 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 77 8.795 -2.600 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.962 -3.187 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.744 -4.882 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.772 -4.286 -4.451 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.094 -2.620 -4.012 1.00 0.00 H new ATOM 1169 N ARG A 78 8.097 -5.640 -3.429 1.00 0.00 N ATOM 1170 CA ARG A 78 7.561 -6.455 -4.495 1.00 0.00 C ATOM 1171 C ARG A 78 6.162 -5.972 -4.856 1.00 0.00 C ATOM 1172 O ARG A 78 5.758 -6.009 -6.012 1.00 0.00 O ATOM 1173 CB ARG A 78 7.542 -7.907 -4.043 1.00 0.00 C ATOM 1174 CG ARG A 78 7.309 -8.910 -5.150 1.00 0.00 C ATOM 1175 CD ARG A 78 7.431 -10.324 -4.616 1.00 0.00 C ATOM 1176 NE ARG A 78 7.327 -11.327 -5.667 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.932 -12.577 -5.451 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.537 -12.952 -4.239 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.918 -13.449 -6.449 1.00 0.00 N ATOM 0 H ARG A 78 8.206 -6.131 -2.542 1.00 0.00 H new ATOM 0 HA ARG A 78 8.185 -6.373 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.491 -8.135 -3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.763 -8.029 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.319 -8.762 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.032 -8.753 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.388 -10.435 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.652 -10.497 -3.874 1.00 0.00 H new ATOM 0 HE ARG A 78 7.570 -11.055 -6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.537 -12.280 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.234 -13.912 -4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.210 -13.160 -7.383 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.615 -14.409 -6.283 1.00 0.00 H new ATOM 1193 N ALA A 79 5.431 -5.495 -3.861 1.00 0.00 N ATOM 1194 CA ALA A 79 4.107 -4.954 -4.097 1.00 0.00 C ATOM 1195 C ALA A 79 4.200 -3.604 -4.778 1.00 0.00 C ATOM 1196 O ALA A 79 3.356 -3.250 -5.591 1.00 0.00 O ATOM 1197 CB ALA A 79 3.317 -4.843 -2.801 1.00 0.00 C ATOM 0 H ALA A 79 5.733 -5.472 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 79 3.576 -5.642 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.329 -4.434 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.213 -5.831 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.843 -4.184 -2.110 1.00 0.00 H new ATOM 1203 N ILE A 80 5.227 -2.847 -4.451 1.00 0.00 N ATOM 1204 CA ILE A 80 5.402 -1.539 -5.049 1.00 0.00 C ATOM 1205 C ILE A 80 5.759 -1.620 -6.525 1.00 0.00 C ATOM 1206 O ILE A 80 5.310 -0.808 -7.328 1.00 0.00 O ATOM 1207 CB ILE A 80 6.468 -0.734 -4.324 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.183 -0.730 -2.828 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.493 0.681 -4.861 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.216 0.005 -2.026 1.00 0.00 C ATOM 0 H ILE A 80 5.948 -3.112 -3.780 1.00 0.00 H new ATOM 0 HA ILE A 80 4.440 -1.036 -4.954 1.00 0.00 H new ATOM 0 HB ILE A 80 7.444 -1.190 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.208 -0.276 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.124 -1.759 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.258 1.255 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.718 0.662 -5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.520 1.147 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.950 -0.032 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.190 -0.462 -2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.259 1.044 -2.353 1.00 0.00 H new ATOM 1222 N ASN A 81 6.562 -2.584 -6.901 1.00 0.00 N ATOM 1223 CA ASN A 81 6.950 -2.685 -8.292 1.00 0.00 C ATOM 1224 C ASN A 81 5.898 -3.427 -9.096 1.00 0.00 C ATOM 1225 O ASN A 81 5.704 -3.167 -10.284 1.00 0.00 O ATOM 1226 CB ASN A 81 8.325 -3.336 -8.435 1.00 0.00 C ATOM 1227 CG ASN A 81 8.467 -4.679 -7.741 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.638 -5.576 -7.885 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.531 -4.812 -6.964 1.00 0.00 N ATOM 0 H ASN A 81 6.953 -3.295 -6.284 1.00 0.00 H new ATOM 0 HA ASN A 81 7.023 -1.675 -8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.542 -3.466 -9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.077 -2.655 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.687 -5.683 -6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.195 -4.043 -6.872 1.00 0.00 H new ATOM 1236 N THR A 82 5.214 -4.342 -8.440 1.00 0.00 N ATOM 1237 CA THR A 82 4.212 -5.155 -9.091 1.00 0.00 C ATOM 1238 C THR A 82 2.804 -4.544 -9.000 1.00 0.00 C ATOM 1239 O THR A 82 2.175 -4.255 -10.020 1.00 0.00 O ATOM 1240 CB THR A 82 4.228 -6.565 -8.483 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.423 -7.250 -8.881 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.992 -7.375 -8.864 1.00 0.00 C ATOM 0 H THR A 82 5.337 -4.541 -7.447 1.00 0.00 H new ATOM 0 HA THR A 82 4.460 -5.204 -10.151 1.00 0.00 H new ATOM 0 HB THR A 82 4.213 -6.459 -7.398 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.206 -6.751 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.051 -8.364 -8.410 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.098 -6.864 -8.507 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.943 -7.476 -9.948 1.00 0.00 H new ATOM 1250 N LEU A 83 2.330 -4.339 -7.776 1.00 0.00 N ATOM 1251 CA LEU A 83 0.943 -3.946 -7.526 1.00 0.00 C ATOM 1252 C LEU A 83 0.701 -2.451 -7.664 1.00 0.00 C ATOM 1253 O LEU A 83 -0.407 -2.034 -7.971 1.00 0.00 O ATOM 1254 CB LEU A 83 0.533 -4.378 -6.127 1.00 0.00 C ATOM 1255 CG LEU A 83 0.362 -5.883 -5.934 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.174 -6.174 -4.548 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.554 -6.475 -6.990 1.00 0.00 C ATOM 0 H LEU A 83 2.892 -4.439 -6.931 1.00 0.00 H new ATOM 0 HA LEU A 83 0.343 -4.444 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.281 -4.020 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.406 -3.887 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 83 1.341 -6.350 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.292 -7.250 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.524 -5.795 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.140 -5.686 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.655 -7.548 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.535 -6.004 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.131 -6.299 -7.979 1.00 0.00 H new ATOM 1269 N ASN A 84 1.708 -1.639 -7.400 1.00 0.00 N ATOM 1270 CA ASN A 84 1.544 -0.195 -7.478 1.00 0.00 C ATOM 1271 C ASN A 84 1.148 0.226 -8.891 1.00 0.00 C ATOM 1272 O ASN A 84 1.907 0.063 -9.847 1.00 0.00 O ATOM 1273 CB ASN A 84 2.827 0.481 -6.992 1.00 0.00 C ATOM 1274 CG ASN A 84 2.826 1.987 -7.103 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.777 2.620 -7.187 1.00 0.00 O ATOM 1276 ND2 ASN A 84 4.016 2.569 -7.060 1.00 0.00 N ATOM 0 H ASN A 84 2.642 -1.949 -7.132 1.00 0.00 H new ATOM 0 HA ASN A 84 0.731 0.127 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.994 0.207 -5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.668 0.088 -7.564 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.088 3.586 -7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.860 2.000 -6.990 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.076 0.738 -9.004 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.667 1.033 -10.295 1.00 0.00 C ATOM 1285 C GLY A 85 -1.555 -0.097 -10.779 1.00 0.00 C ATOM 1286 O GLY A 85 -1.727 -0.291 -11.981 1.00 0.00 O ATOM 0 H GLY A 85 -0.676 0.956 -8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.251 1.951 -10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.123 1.212 -11.024 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.116 -0.847 -9.838 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.006 -1.954 -10.163 1.00 0.00 C ATOM 1292 C LEU A 86 -4.433 -1.453 -10.299 1.00 0.00 C ATOM 1293 O LEU A 86 -4.862 -0.578 -9.546 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.945 -3.026 -9.066 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.661 -4.455 -9.536 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.768 -4.962 -10.446 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.316 -4.518 -10.240 1.00 0.00 C ATOM 0 H LEU A 86 -1.969 -0.707 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.684 -2.390 -11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.174 -2.741 -8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.894 -3.023 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.628 -5.103 -8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.540 -5.979 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.715 -4.955 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.844 -4.316 -11.321 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.125 -5.539 -10.570 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.326 -3.854 -11.104 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.530 -4.206 -9.552 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.159 -1.994 -11.263 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.563 -1.662 -11.424 1.00 0.00 C ATOM 1311 C ARG A 87 -7.422 -2.489 -10.473 1.00 0.00 C ATOM 1312 O ARG A 87 -7.906 -3.564 -10.823 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.009 -1.894 -12.870 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.476 -0.867 -13.854 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.159 0.482 -13.682 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.748 1.434 -14.714 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.474 2.483 -15.104 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.647 2.741 -14.537 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -7.021 3.282 -16.062 1.00 0.00 N ATOM 0 H ARG A 87 -4.800 -2.663 -11.944 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.692 -0.607 -11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.684 -2.886 -13.185 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.098 -1.888 -12.909 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.401 -0.752 -13.714 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.628 -1.225 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.240 0.349 -13.719 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.921 0.887 -12.698 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.846 1.286 -15.166 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.000 2.135 -13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.195 3.545 -14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.119 3.094 -16.499 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.575 4.084 -16.361 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.608 -1.972 -9.273 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.472 -2.592 -8.288 1.00 0.00 C ATOM 1335 C LEU A 88 -9.883 -2.074 -8.459 1.00 0.00 C ATOM 1336 O LEU A 88 -10.142 -0.898 -8.231 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.975 -2.289 -6.881 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.271 -3.448 -6.190 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.702 -3.002 -4.860 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.247 -4.595 -5.988 1.00 0.00 C ATOM 0 H LEU A 88 -7.164 -1.111 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.461 -3.672 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.291 -1.442 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.823 -1.981 -6.270 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.448 -3.788 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.202 -3.842 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.985 -2.197 -5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.509 -2.645 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.739 -5.422 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.080 -4.259 -5.370 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.623 -4.927 -6.956 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.787 -2.946 -8.889 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.168 -2.556 -9.149 1.00 0.00 C ATOM 1354 C GLN A 89 -12.210 -1.384 -10.121 1.00 0.00 C ATOM 1355 O GLN A 89 -13.036 -0.479 -9.991 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.866 -2.184 -7.854 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.944 -3.322 -6.847 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.705 -2.935 -5.598 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.629 -1.670 -5.237 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.345 -3.766 -4.955 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.588 -3.931 -9.066 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.689 -3.403 -9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.342 -1.344 -7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.876 -1.844 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.426 -4.182 -7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.935 -3.631 -6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.379 -4.736 -5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.841 -3.485 -4.109 1.00 0.00 H new ATOM 1369 N SER A 90 -11.253 -1.403 -11.046 1.00 0.00 N ATOM 1370 CA SER A 90 -11.129 -0.411 -12.119 1.00 0.00 C ATOM 1371 C SER A 90 -10.410 0.848 -11.635 1.00 0.00 C ATOM 1372 O SER A 90 -10.055 1.723 -12.424 1.00 0.00 O ATOM 1373 CB SER A 90 -12.502 -0.067 -12.698 1.00 0.00 C ATOM 1374 OG SER A 90 -12.390 0.618 -13.933 1.00 0.00 O ATOM 0 H SER A 90 -10.528 -2.120 -11.074 1.00 0.00 H new ATOM 0 HA SER A 90 -10.523 -0.851 -12.911 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.078 -0.982 -12.839 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.053 0.550 -11.988 1.00 0.00 H new ATOM 0 HG SER A 90 -11.571 1.156 -13.936 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.180 0.918 -10.340 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.485 2.046 -9.729 1.00 0.00 C ATOM 1382 C LYS A 91 -7.993 1.745 -9.632 1.00 0.00 C ATOM 1383 O LYS A 91 -7.607 0.670 -9.190 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.043 2.296 -8.330 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.508 3.711 -8.081 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.343 4.674 -8.098 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.415 5.629 -6.925 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.696 6.899 -7.194 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.467 0.198 -9.677 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.635 2.932 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.879 1.618 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.276 2.046 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.233 3.999 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.017 3.767 -7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.406 4.118 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.345 5.237 -9.031 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.459 5.845 -6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.989 5.152 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.771 7.523 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.694 6.697 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.118 7.369 -8.020 1.00 0.00 H new ATOM 1402 N THR A 92 -7.150 2.683 -10.035 1.00 0.00 N ATOM 1403 CA THR A 92 -5.715 2.451 -9.975 1.00 0.00 C ATOM 1404 C THR A 92 -5.159 2.899 -8.635 1.00 0.00 C ATOM 1405 O THR A 92 -5.312 4.051 -8.243 1.00 0.00 O ATOM 1406 CB THR A 92 -4.946 3.171 -11.095 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.820 3.461 -12.197 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.786 2.320 -11.591 1.00 0.00 C ATOM 0 H THR A 92 -7.426 3.594 -10.400 1.00 0.00 H new ATOM 0 HA THR A 92 -5.575 1.378 -10.106 1.00 0.00 H new ATOM 0 HB THR A 92 -4.555 4.102 -10.684 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.317 3.921 -12.901 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.258 2.851 -12.383 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.101 2.123 -10.767 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.168 1.376 -11.979 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.522 1.974 -7.947 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.992 2.213 -6.618 1.00 0.00 C ATOM 1418 C ILE A 93 -2.516 2.570 -6.671 1.00 0.00 C ATOM 1419 O ILE A 93 -1.866 2.387 -7.699 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.163 0.963 -5.757 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.309 -0.169 -6.335 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.631 0.580 -5.710 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.438 -1.470 -5.595 1.00 0.00 C ATOM 0 H ILE A 93 -4.356 1.030 -8.295 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.543 3.048 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.830 1.157 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.589 -0.326 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.263 0.139 -6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.755 -0.312 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.207 1.399 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.987 0.377 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.803 -2.221 -6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.130 -1.331 -4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.475 -1.803 -5.623 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.987 3.085 -5.572 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.569 3.369 -5.495 1.00 0.00 C ATOM 1437 C LYS A 94 -0.018 2.934 -4.150 1.00 0.00 C ATOM 1438 O LYS A 94 -0.350 3.509 -3.113 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.279 4.848 -5.738 1.00 0.00 C ATOM 1440 CG LYS A 94 1.202 5.163 -5.732 1.00 0.00 C ATOM 1441 CD LYS A 94 1.490 6.583 -6.195 1.00 0.00 C ATOM 1442 CE LYS A 94 1.550 6.701 -7.713 1.00 0.00 C ATOM 1443 NZ LYS A 94 0.207 6.716 -8.345 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.516 3.312 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.072 2.802 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.705 5.145 -6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.776 5.442 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.597 5.024 -4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.724 4.459 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.718 7.250 -5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.437 6.915 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.082 7.614 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.126 5.867 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.225 7.331 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.054 5.750 -8.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.492 7.078 -7.666 1.00 0.00 H new ATOM 1457 N VAL A 95 0.818 1.910 -4.176 1.00 0.00 N ATOM 1458 CA VAL A 95 1.373 1.343 -2.961 1.00 0.00 C ATOM 1459 C VAL A 95 2.777 1.899 -2.706 1.00 0.00 C ATOM 1460 O VAL A 95 3.517 2.211 -3.644 1.00 0.00 O ATOM 1461 CB VAL A 95 1.380 -0.206 -3.011 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.519 -0.721 -4.154 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.784 -0.748 -3.102 1.00 0.00 C ATOM 0 H VAL A 95 1.129 1.452 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 95 0.734 1.634 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 95 0.948 -0.567 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.543 -1.811 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.508 -0.382 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.904 -0.340 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.752 -1.837 -3.135 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.262 -0.371 -4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.355 -0.428 -2.230 1.00 0.00 H new ATOM 1473 N SER A 96 3.117 2.042 -1.437 1.00 0.00 N ATOM 1474 CA SER A 96 4.390 2.601 -1.009 1.00 0.00 C ATOM 1475 C SER A 96 4.626 2.255 0.453 1.00 0.00 C ATOM 1476 O SER A 96 3.720 1.798 1.126 1.00 0.00 O ATOM 1477 CB SER A 96 4.379 4.123 -1.173 1.00 0.00 C ATOM 1478 OG SER A 96 4.404 4.492 -2.542 1.00 0.00 O ATOM 0 H SER A 96 2.510 1.770 -0.664 1.00 0.00 H new ATOM 0 HA SER A 96 5.187 2.182 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.489 4.536 -0.699 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.241 4.553 -0.662 1.00 0.00 H new ATOM 0 HG SER A 96 4.415 3.685 -3.098 1.00 0.00 H new ATOM 1484 N TYR A 97 5.840 2.457 0.935 1.00 0.00 N ATOM 1485 CA TYR A 97 6.134 2.261 2.351 1.00 0.00 C ATOM 1486 C TYR A 97 5.409 3.314 3.164 1.00 0.00 C ATOM 1487 O TYR A 97 5.624 4.512 2.968 1.00 0.00 O ATOM 1488 CB TYR A 97 7.629 2.380 2.627 1.00 0.00 C ATOM 1489 CG TYR A 97 8.511 1.760 1.575 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.503 0.391 1.345 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.370 2.552 0.826 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.330 -0.170 0.394 1.00 0.00 C ATOM 1493 CE2 TYR A 97 10.196 2.005 -0.128 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.176 0.641 -0.340 1.00 0.00 C ATOM 1495 OH TYR A 97 11.012 0.085 -1.277 1.00 0.00 O ATOM 0 H TYR A 97 6.637 2.755 0.373 1.00 0.00 H new ATOM 0 HA TYR A 97 5.803 1.261 2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.885 3.435 2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.847 1.912 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.841 -0.242 1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.390 3.618 0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.317 -1.236 0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.854 2.637 -0.706 1.00 0.00 H new ATOM 0 HH TYR A 97 11.540 0.791 -1.705 1.00 0.00 H new ATOM 1505 N ALA A 98 4.550 2.875 4.058 1.00 0.00 N ATOM 1506 CA ALA A 98 3.868 3.794 4.938 1.00 0.00 C ATOM 1507 C ALA A 98 4.801 4.175 6.074 1.00 0.00 C ATOM 1508 O ALA A 98 5.085 3.348 6.939 1.00 0.00 O ATOM 1509 CB ALA A 98 2.580 3.187 5.473 1.00 0.00 C ATOM 0 H ALA A 98 4.309 1.893 4.193 1.00 0.00 H new ATOM 0 HA ALA A 98 3.594 4.689 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.088 3.901 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.918 2.946 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.810 2.278 6.029 1.00 0.00 H new