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 81 ASN : amide:sc= -0.471 K(o=0.012,f=-6.7!) USER MOD Set 1.2: A 82 THR OG1 : rot 57:sc= 0.483 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.118 K(o=0.12,f=-4.1!) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= 0 F(o=-2,f=0.12) USER MOD Set 3.1: A 22 THR OG1 : rot 59:sc= 0.677 USER MOD Set 3.2: A 69 ASN : amide:sc= -0.796! X(o=-0.12!,f=-0.37) USER MOD Single : A 23 ASN : amide:sc= -0.719 K(o=-0.72,f=-1.7!) USER MOD Single : A 27 ASN : amide:sc= 0.145 K(o=0.14,f=-1.6) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0709 F(o=-1.2,f=-0.071) USER MOD Single : A 33 MET CE :methyl -114:sc= -3.39! (180deg=-5.2!) USER MOD Single : A 34 THR OG1 : rot -170:sc= -1.01 USER MOD Single : A 35 GLN :FLIP amide:sc= -3.09! C(o=-5.3!,f=-3.1!) USER MOD Single : A 40 SER OG : rot 62:sc= 1.26 USER MOD Single : A 43 SER OG : rot -170:sc= 0 USER MOD Single : A 44 SER OG : rot 78:sc= 1.27 USER MOD Single : A 50 SER OG : rot -83:sc= 1.3 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -0.0276 (180deg=-0.242) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00327 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 155:sc= -1.91 USER MOD Single : A 72 THR OG1 : rot -155:sc= 1.76 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.21! C(o=-4.2!,f=-12!) USER MOD Single : A 90 SER OG : rot -42:sc= 1.19 USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00166) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -10:sc= 0.855 USER MOD Single : A 97 TYR OH : rot 151:sc= -0.307 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 7.942 -2.423 6.516 1.00 0.00 N ATOM 302 CA THR A 22 7.010 -3.449 6.110 1.00 0.00 C ATOM 303 C THR A 22 5.626 -2.865 5.857 1.00 0.00 C ATOM 304 O THR A 22 4.765 -3.517 5.269 1.00 0.00 O ATOM 305 CB THR A 22 6.935 -4.541 7.188 1.00 0.00 C ATOM 306 OG1 THR A 22 6.567 -3.960 8.450 1.00 0.00 O ATOM 307 CG2 THR A 22 8.281 -5.233 7.324 1.00 0.00 C ATOM 0 HA THR A 22 7.366 -3.886 5.177 1.00 0.00 H new ATOM 0 HB THR A 22 6.183 -5.272 6.893 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.697 -3.517 8.365 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.217 -6.005 8.091 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.554 -5.688 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.039 -4.502 7.607 1.00 0.00 H new ATOM 315 N ASN A 23 5.422 -1.630 6.300 1.00 0.00 N ATOM 316 CA ASN A 23 4.132 -0.972 6.147 1.00 0.00 C ATOM 317 C ASN A 23 4.005 -0.378 4.756 1.00 0.00 C ATOM 318 O ASN A 23 4.831 0.441 4.345 1.00 0.00 O ATOM 319 CB ASN A 23 3.962 0.154 7.162 1.00 0.00 C ATOM 320 CG ASN A 23 2.505 0.550 7.327 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.604 -0.268 7.140 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.261 1.799 7.685 1.00 0.00 N ATOM 0 H ASN A 23 6.132 -1.066 6.767 1.00 0.00 H new ATOM 0 HA ASN A 23 3.363 -1.727 6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.364 -0.161 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.540 1.021 6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.300 2.114 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.034 2.448 7.831 1.00 0.00 H new ATOM 329 N LEU A 24 2.976 -0.773 4.041 1.00 0.00 N ATOM 330 CA LEU A 24 2.764 -0.288 2.695 1.00 0.00 C ATOM 331 C LEU A 24 1.499 0.537 2.599 1.00 0.00 C ATOM 332 O LEU A 24 0.396 0.047 2.837 1.00 0.00 O ATOM 333 CB LEU A 24 2.695 -1.460 1.723 1.00 0.00 C ATOM 334 CG LEU A 24 3.854 -1.567 0.736 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.194 -1.427 1.439 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.778 -2.886 0.009 1.00 0.00 C ATOM 0 H LEU A 24 2.270 -1.431 4.370 1.00 0.00 H new ATOM 0 HA LEU A 24 3.606 0.353 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.645 -2.384 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.766 -1.386 1.158 1.00 0.00 H new ATOM 0 HG LEU A 24 3.772 -0.751 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.999 -1.508 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.247 -0.456 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.299 -2.217 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.606 -2.961 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.839 -3.702 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.834 -2.949 -0.532 1.00 0.00 H new ATOM 348 N ILE A 25 1.673 1.793 2.246 1.00 0.00 N ATOM 349 CA ILE A 25 0.559 2.653 1.947 1.00 0.00 C ATOM 350 C ILE A 25 0.094 2.351 0.536 1.00 0.00 C ATOM 351 O ILE A 25 0.885 2.342 -0.409 1.00 0.00 O ATOM 352 CB ILE A 25 0.905 4.157 2.079 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.377 4.978 1.953 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.954 4.585 1.057 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.163 6.470 1.871 1.00 0.00 C ATOM 0 H ILE A 25 2.586 2.240 2.160 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.229 2.455 2.674 1.00 0.00 H new ATOM 0 HB ILE A 25 1.344 4.336 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.915 4.652 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.016 4.763 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.171 5.646 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.866 4.008 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.575 4.407 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.127 6.972 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.345 6.815 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.447 6.703 0.998 1.00 0.00 H new ATOM 367 N VAL A 26 -1.168 2.041 0.397 1.00 0.00 N ATOM 368 CA VAL A 26 -1.712 1.738 -0.902 1.00 0.00 C ATOM 369 C VAL A 26 -2.783 2.741 -1.241 1.00 0.00 C ATOM 370 O VAL A 26 -3.905 2.666 -0.748 1.00 0.00 O ATOM 371 CB VAL A 26 -2.290 0.325 -0.962 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.616 -0.052 -2.397 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.305 -0.649 -0.359 1.00 0.00 C ATOM 0 H VAL A 26 -1.838 1.991 1.165 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.901 1.793 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.216 0.289 -0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.027 -1.061 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.348 0.648 -2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.708 -0.014 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.717 -1.657 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.371 -0.615 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.115 -0.378 0.680 1.00 0.00 H new ATOM 383 N ASN A 27 -2.420 3.694 -2.058 1.00 0.00 N ATOM 384 CA ASN A 27 -3.319 4.767 -2.409 1.00 0.00 C ATOM 385 C ASN A 27 -4.098 4.380 -3.645 1.00 0.00 C ATOM 386 O ASN A 27 -3.823 3.350 -4.263 1.00 0.00 O ATOM 387 CB ASN A 27 -2.541 6.052 -2.672 1.00 0.00 C ATOM 388 CG ASN A 27 -3.296 7.296 -2.246 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.134 7.815 -2.981 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.974 7.800 -1.063 1.00 0.00 N ATOM 0 H ASN A 27 -1.501 3.751 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.005 4.941 -1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.590 6.010 -2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.310 6.120 -3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.427 8.651 -0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.273 7.337 -0.485 1.00 0.00 H new ATOM 397 N TYR A 28 -5.058 5.216 -3.996 1.00 0.00 N ATOM 398 CA TYR A 28 -5.848 5.043 -5.206 1.00 0.00 C ATOM 399 C TYR A 28 -6.637 3.738 -5.178 1.00 0.00 C ATOM 400 O TYR A 28 -6.844 3.099 -6.208 1.00 0.00 O ATOM 401 CB TYR A 28 -4.937 5.106 -6.431 1.00 0.00 C ATOM 402 CG TYR A 28 -4.085 6.354 -6.458 1.00 0.00 C ATOM 403 CD1 TYR A 28 -2.761 6.312 -6.044 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.608 7.574 -6.857 1.00 0.00 C ATOM 405 CE1 TYR A 28 -1.979 7.448 -6.025 1.00 0.00 C ATOM 406 CE2 TYR A 28 -3.831 8.716 -6.849 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.520 8.647 -6.429 1.00 0.00 C ATOM 408 OH TYR A 28 -1.747 9.783 -6.407 1.00 0.00 O ATOM 0 H TYR A 28 -5.314 6.038 -3.449 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.573 5.855 -5.262 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.290 4.229 -6.444 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.546 5.066 -7.334 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.334 5.371 -5.730 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.637 7.633 -7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.952 7.397 -5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.249 9.659 -7.170 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.276 10.545 -6.723 1.00 0.00 H new ATOM 418 N LEU A 29 -7.073 3.350 -3.988 1.00 0.00 N ATOM 419 CA LEU A 29 -7.923 2.177 -3.833 1.00 0.00 C ATOM 420 C LEU A 29 -9.314 2.480 -4.366 1.00 0.00 C ATOM 421 O LEU A 29 -9.770 3.626 -4.295 1.00 0.00 O ATOM 422 CB LEU A 29 -8.025 1.767 -2.360 1.00 0.00 C ATOM 423 CG LEU A 29 -6.712 1.362 -1.692 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.979 0.730 -0.337 1.00 0.00 C ATOM 425 CD2 LEU A 29 -5.932 0.409 -2.579 1.00 0.00 C ATOM 0 H LEU A 29 -6.852 3.830 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.479 1.355 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.455 2.597 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.723 0.934 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.112 2.259 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.033 0.447 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.496 1.445 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.600 -0.157 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.000 0.133 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.526 -0.487 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.709 0.896 -3.528 1.00 0.00 H new ATOM 437 N PRO A 30 -10.007 1.469 -4.911 1.00 0.00 N ATOM 438 CA PRO A 30 -11.377 1.640 -5.387 1.00 0.00 C ATOM 439 C PRO A 30 -12.281 2.164 -4.279 1.00 0.00 C ATOM 440 O PRO A 30 -12.177 1.730 -3.129 1.00 0.00 O ATOM 441 CB PRO A 30 -11.815 0.235 -5.791 1.00 0.00 C ATOM 442 CG PRO A 30 -10.556 -0.533 -5.996 1.00 0.00 C ATOM 443 CD PRO A 30 -9.513 0.094 -5.114 1.00 0.00 C ATOM 0 HA PRO A 30 -11.437 2.359 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.431 -0.222 -5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.413 0.258 -6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.698 -1.583 -5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.249 -0.499 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.415 -0.440 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.531 0.087 -5.588 1.00 0.00 H new ATOM 451 N GLN A 31 -13.182 3.068 -4.631 1.00 0.00 N ATOM 452 CA GLN A 31 -13.996 3.773 -3.644 1.00 0.00 C ATOM 453 C GLN A 31 -15.016 2.851 -2.972 1.00 0.00 C ATOM 454 O GLN A 31 -15.655 3.235 -1.996 1.00 0.00 O ATOM 455 CB GLN A 31 -14.710 4.951 -4.300 1.00 0.00 C ATOM 456 CG GLN A 31 -13.761 6.010 -4.829 1.00 0.00 C ATOM 457 CD GLN A 31 -12.965 6.684 -3.729 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.788 6.152 -3.433 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.400 7.684 -3.161 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.371 3.334 -5.597 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.324 4.138 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.326 4.582 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.385 5.407 -3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.074 5.553 -5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.331 6.763 -5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.312 8.061 -3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.849 8.136 -2.431 1.00 0.00 H new ATOM 468 N ASN A 32 -15.163 1.642 -3.492 1.00 0.00 N ATOM 469 CA ASN A 32 -16.109 0.683 -2.937 1.00 0.00 C ATOM 470 C ASN A 32 -15.401 -0.568 -2.418 1.00 0.00 C ATOM 471 O ASN A 32 -16.053 -1.550 -2.060 1.00 0.00 O ATOM 472 CB ASN A 32 -17.128 0.274 -4.004 1.00 0.00 C ATOM 473 CG ASN A 32 -16.508 -0.551 -5.120 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.340 -0.374 -5.470 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.282 -1.467 -5.679 1.00 0.00 N ATOM 0 H ASN A 32 -14.639 1.300 -4.298 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.615 1.167 -2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.928 -0.299 -3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.583 1.169 -4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.916 -2.056 -6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.244 -1.584 -5.362 1.00 0.00 H new ATOM 482 N MET A 33 -14.075 -0.546 -2.388 1.00 0.00 N ATOM 483 CA MET A 33 -13.315 -1.734 -2.028 1.00 0.00 C ATOM 484 C MET A 33 -13.265 -1.956 -0.512 1.00 0.00 C ATOM 485 O MET A 33 -13.602 -1.069 0.272 1.00 0.00 O ATOM 486 CB MET A 33 -11.909 -1.642 -2.597 1.00 0.00 C ATOM 487 CG MET A 33 -11.206 -2.974 -2.599 1.00 0.00 C ATOM 488 SD MET A 33 -9.692 -2.978 -3.552 1.00 0.00 S ATOM 489 CE MET A 33 -8.644 -2.153 -2.382 1.00 0.00 C ATOM 0 H MET A 33 -13.508 0.274 -2.606 1.00 0.00 H new ATOM 0 HA MET A 33 -13.827 -2.594 -2.459 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.956 -1.257 -3.616 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.329 -0.928 -2.013 1.00 0.00 H new ATOM 0 HG2 MET A 33 -10.980 -3.259 -1.571 1.00 0.00 H new ATOM 0 HG3 MET A 33 -11.880 -3.731 -2.999 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.342 -1.185 -2.783 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.187 -2.006 -1.448 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.759 -2.761 -2.195 1.00 0.00 H new ATOM 499 N THR A 34 -12.837 -3.157 -0.120 1.00 0.00 N ATOM 500 CA THR A 34 -12.802 -3.566 1.278 1.00 0.00 C ATOM 501 C THR A 34 -11.370 -3.817 1.731 1.00 0.00 C ATOM 502 O THR A 34 -10.457 -3.858 0.900 1.00 0.00 O ATOM 503 CB THR A 34 -13.602 -4.867 1.479 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.893 -5.969 0.895 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.963 -4.758 0.822 1.00 0.00 C ATOM 0 H THR A 34 -12.505 -3.872 -0.767 1.00 0.00 H new ATOM 0 HA THR A 34 -13.241 -2.760 1.866 1.00 0.00 H new ATOM 0 HB THR A 34 -13.729 -5.030 2.549 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.471 -6.761 0.884 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.515 -5.685 0.973 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.516 -3.930 1.266 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.838 -4.580 -0.246 1.00 0.00 H new ATOM 513 N GLN A 35 -11.169 -3.982 3.041 1.00 0.00 N ATOM 514 CA GLN A 35 -9.878 -4.429 3.556 1.00 0.00 C ATOM 515 C GLN A 35 -9.501 -5.726 2.898 1.00 0.00 C ATOM 516 O GLN A 35 -8.406 -5.874 2.399 1.00 0.00 O ATOM 517 CB GLN A 35 -9.890 -4.675 5.068 1.00 0.00 C ATOM 518 CG GLN A 35 -10.127 -3.445 5.916 1.00 0.00 C ATOM 519 CD GLN A 35 -11.563 -2.958 5.887 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.506 -3.872 5.695 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.824 -1.765 6.029 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.877 -3.814 3.756 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.166 -3.633 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.664 -5.408 5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.937 -5.118 5.356 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.847 -3.664 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.473 -2.644 5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.071 -1.092 6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.793 -1.448 6.001 1.00 0.00 H new ATOM 530 N ASP A 36 -10.448 -6.644 2.882 1.00 0.00 N ATOM 531 CA ASP A 36 -10.213 -7.994 2.400 1.00 0.00 C ATOM 532 C ASP A 36 -9.708 -7.998 0.964 1.00 0.00 C ATOM 533 O ASP A 36 -8.888 -8.827 0.600 1.00 0.00 O ATOM 534 CB ASP A 36 -11.506 -8.799 2.512 1.00 0.00 C ATOM 535 CG ASP A 36 -11.361 -10.219 1.999 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.712 -11.043 2.676 1.00 0.00 O ATOM 537 OD2 ASP A 36 -11.908 -10.520 0.921 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.402 -6.477 3.202 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.439 -8.451 3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.823 -8.825 3.554 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.293 -8.294 1.952 1.00 0.00 H new ATOM 542 N GLU A 37 -10.180 -7.066 0.153 1.00 0.00 N ATOM 543 CA GLU A 37 -9.712 -6.958 -1.223 1.00 0.00 C ATOM 544 C GLU A 37 -8.297 -6.397 -1.246 1.00 0.00 C ATOM 545 O GLU A 37 -7.411 -6.941 -1.908 1.00 0.00 O ATOM 546 CB GLU A 37 -10.638 -6.052 -2.024 1.00 0.00 C ATOM 547 CG GLU A 37 -12.083 -6.525 -2.070 1.00 0.00 C ATOM 548 CD GLU A 37 -12.278 -7.709 -2.993 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.054 -7.565 -4.212 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.662 -8.792 -2.505 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.883 -6.376 0.419 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.712 -7.951 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.608 -5.050 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.260 -5.974 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.405 -6.796 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.720 -5.704 -2.399 1.00 0.00 H new ATOM 557 N LEU A 38 -8.103 -5.310 -0.509 1.00 0.00 N ATOM 558 CA LEU A 38 -6.794 -4.691 -0.341 1.00 0.00 C ATOM 559 C LEU A 38 -5.814 -5.711 0.248 1.00 0.00 C ATOM 560 O LEU A 38 -4.655 -5.789 -0.139 1.00 0.00 O ATOM 561 CB LEU A 38 -6.959 -3.454 0.575 1.00 0.00 C ATOM 562 CG LEU A 38 -5.710 -2.611 0.851 1.00 0.00 C ATOM 563 CD1 LEU A 38 -4.981 -3.116 2.079 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.796 -2.604 -0.359 1.00 0.00 C ATOM 0 H LEU A 38 -8.852 -4.831 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.388 -4.367 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.713 -2.804 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.355 -3.794 1.532 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.023 -1.585 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.098 -2.502 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.642 -3.058 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.678 -4.151 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.914 -2.000 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.490 -3.624 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.326 -2.182 -1.213 1.00 0.00 H new ATOM 576 N ARG A 39 -6.323 -6.515 1.153 1.00 0.00 N ATOM 577 CA ARG A 39 -5.536 -7.497 1.868 1.00 0.00 C ATOM 578 C ARG A 39 -5.243 -8.712 0.986 1.00 0.00 C ATOM 579 O ARG A 39 -4.114 -9.181 0.955 1.00 0.00 O ATOM 580 CB ARG A 39 -6.296 -7.898 3.140 1.00 0.00 C ATOM 581 CG ARG A 39 -5.461 -8.555 4.228 1.00 0.00 C ATOM 582 CD ARG A 39 -5.081 -9.976 3.875 1.00 0.00 C ATOM 583 NE ARG A 39 -4.365 -10.641 4.964 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.080 -11.944 4.982 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.528 -12.739 4.018 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.366 -12.453 5.977 1.00 0.00 N ATOM 0 H ARG A 39 -7.308 -6.506 1.418 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.572 -7.068 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.766 -7.007 3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.099 -8.581 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.557 -7.969 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.019 -8.552 5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.981 -10.542 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.458 -9.973 2.981 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.066 -10.074 5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.092 -12.354 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.308 -13.735 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.035 -11.848 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.148 -13.449 5.991 1.00 0.00 H new ATOM 600 N SER A 40 -6.244 -9.208 0.255 1.00 0.00 N ATOM 601 CA SER A 40 -6.073 -10.422 -0.547 1.00 0.00 C ATOM 602 C SER A 40 -5.142 -10.187 -1.736 1.00 0.00 C ATOM 603 O SER A 40 -4.389 -11.073 -2.130 1.00 0.00 O ATOM 604 CB SER A 40 -7.427 -10.946 -1.034 1.00 0.00 C ATOM 605 OG SER A 40 -8.268 -11.278 0.060 1.00 0.00 O ATOM 0 H SER A 40 -7.174 -8.792 0.202 1.00 0.00 H new ATOM 0 HA SER A 40 -5.614 -11.173 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.911 -10.191 -1.654 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.277 -11.825 -1.661 1.00 0.00 H new ATOM 0 HG SER A 40 -8.445 -10.474 0.592 1.00 0.00 H new ATOM 611 N LEU A 41 -5.199 -8.989 -2.295 1.00 0.00 N ATOM 612 CA LEU A 41 -4.344 -8.603 -3.408 1.00 0.00 C ATOM 613 C LEU A 41 -2.892 -8.573 -2.964 1.00 0.00 C ATOM 614 O LEU A 41 -2.001 -9.028 -3.680 1.00 0.00 O ATOM 615 CB LEU A 41 -4.817 -7.238 -3.913 1.00 0.00 C ATOM 616 CG LEU A 41 -4.347 -6.802 -5.301 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.240 -5.773 -5.187 1.00 0.00 C ATOM 618 CD2 LEU A 41 -3.883 -7.995 -6.125 1.00 0.00 C ATOM 0 H LEU A 41 -5.839 -8.256 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.411 -9.326 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.907 -7.237 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.495 -6.483 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.194 -6.348 -5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.917 -5.474 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.609 -4.900 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.397 -6.204 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.555 -7.654 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.054 -8.488 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.707 -8.699 -6.242 1.00 0.00 H new ATOM 630 N PHE A 42 -2.659 -8.078 -1.770 1.00 0.00 N ATOM 631 CA PHE A 42 -1.322 -8.065 -1.216 1.00 0.00 C ATOM 632 C PHE A 42 -0.974 -9.431 -0.635 1.00 0.00 C ATOM 633 O PHE A 42 0.183 -9.837 -0.614 1.00 0.00 O ATOM 634 CB PHE A 42 -1.192 -6.932 -0.199 1.00 0.00 C ATOM 635 CG PHE A 42 -1.131 -5.590 -0.876 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.236 -5.085 -1.544 1.00 0.00 C ATOM 637 CD2 PHE A 42 0.044 -4.848 -0.880 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.174 -3.879 -2.199 1.00 0.00 C ATOM 639 CE2 PHE A 42 0.102 -3.632 -1.533 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.007 -3.156 -2.192 1.00 0.00 C ATOM 0 H PHE A 42 -3.376 -7.679 -1.164 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.596 -7.871 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.039 -6.957 0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.293 -7.080 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.158 -5.647 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.918 -5.225 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.042 -3.500 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.016 -3.057 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.960 -2.208 -2.707 1.00 0.00 H new ATOM 650 N SER A 43 -1.994 -10.163 -0.215 1.00 0.00 N ATOM 651 CA SER A 43 -1.822 -11.544 0.204 1.00 0.00 C ATOM 652 C SER A 43 -1.477 -12.407 -1.010 1.00 0.00 C ATOM 653 O SER A 43 -1.000 -13.534 -0.881 1.00 0.00 O ATOM 654 CB SER A 43 -3.091 -12.051 0.883 1.00 0.00 C ATOM 655 OG SER A 43 -2.922 -13.353 1.416 1.00 0.00 O ATOM 0 H SER A 43 -2.953 -9.821 -0.155 1.00 0.00 H new ATOM 0 HA SER A 43 -1.005 -11.604 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.374 -11.366 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.910 -12.057 0.164 1.00 0.00 H new ATOM 0 HG SER A 43 -3.791 -13.706 1.700 1.00 0.00 H new ATOM 661 N SER A 44 -1.728 -11.861 -2.190 1.00 0.00 N ATOM 662 CA SER A 44 -1.375 -12.518 -3.430 1.00 0.00 C ATOM 663 C SER A 44 0.121 -12.354 -3.714 1.00 0.00 C ATOM 664 O SER A 44 0.730 -13.186 -4.387 1.00 0.00 O ATOM 665 CB SER A 44 -2.244 -11.981 -4.563 1.00 0.00 C ATOM 666 OG SER A 44 -3.602 -12.344 -4.365 1.00 0.00 O ATOM 0 H SER A 44 -2.180 -10.955 -2.310 1.00 0.00 H new ATOM 0 HA SER A 44 -1.566 -13.588 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.156 -10.896 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.892 -12.374 -5.517 1.00 0.00 H new ATOM 0 HG SER A 44 -4.002 -11.757 -3.690 1.00 0.00 H new ATOM 672 N ILE A 45 0.707 -11.287 -3.185 1.00 0.00 N ATOM 673 CA ILE A 45 2.161 -11.140 -3.163 1.00 0.00 C ATOM 674 C ILE A 45 2.764 -12.148 -2.197 1.00 0.00 C ATOM 675 O ILE A 45 3.689 -12.886 -2.537 1.00 0.00 O ATOM 676 CB ILE A 45 2.570 -9.707 -2.739 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.390 -8.752 -3.907 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.014 -9.652 -2.239 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.515 -8.815 -4.898 1.00 0.00 C ATOM 0 H ILE A 45 0.199 -10.509 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 45 2.538 -11.322 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 45 1.923 -9.407 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.453 -8.981 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.306 -7.734 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.261 -8.630 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.125 -10.308 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.686 -9.978 -3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.327 -8.110 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.451 -8.557 -4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.585 -9.824 -5.305 1.00 0.00 H new ATOM 691 N GLY A 46 2.193 -12.189 -1.011 1.00 0.00 N ATOM 692 CA GLY A 46 2.683 -13.045 0.039 1.00 0.00 C ATOM 693 C GLY A 46 1.850 -12.870 1.279 1.00 0.00 C ATOM 694 O GLY A 46 0.761 -12.309 1.210 1.00 0.00 O ATOM 0 H GLY A 46 1.380 -11.631 -0.752 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.653 -14.085 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.725 -12.809 0.255 1.00 0.00 H new ATOM 698 N GLU A 47 2.336 -13.323 2.413 1.00 0.00 N ATOM 699 CA GLU A 47 1.586 -13.183 3.636 1.00 0.00 C ATOM 700 C GLU A 47 1.600 -11.735 4.106 1.00 0.00 C ATOM 701 O GLU A 47 2.584 -11.010 3.953 1.00 0.00 O ATOM 702 CB GLU A 47 2.139 -14.098 4.708 1.00 0.00 C ATOM 703 CG GLU A 47 3.601 -13.910 4.864 1.00 0.00 C ATOM 704 CD GLU A 47 4.432 -14.893 4.060 1.00 0.00 C ATOM 705 OE1 GLU A 47 4.667 -14.643 2.858 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.862 -15.920 4.628 1.00 0.00 O1- ATOM 0 H GLU A 47 3.239 -13.787 2.512 1.00 0.00 H new ATOM 0 HA GLU A 47 0.553 -13.471 3.442 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.640 -13.897 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.928 -15.136 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.862 -12.896 4.563 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.860 -14.006 5.918 1.00 0.00 H new ATOM 713 N VAL A 48 0.503 -11.345 4.706 1.00 0.00 N ATOM 714 CA VAL A 48 0.265 -9.964 5.092 1.00 0.00 C ATOM 715 C VAL A 48 0.028 -9.891 6.575 1.00 0.00 C ATOM 716 O VAL A 48 -0.901 -10.492 7.117 1.00 0.00 O ATOM 717 CB VAL A 48 -0.930 -9.345 4.320 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.321 -7.997 4.905 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.598 -9.203 2.840 1.00 0.00 C ATOM 0 H VAL A 48 -0.261 -11.978 4.945 1.00 0.00 H new ATOM 0 HA VAL A 48 1.150 -9.382 4.834 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.780 -10.020 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.161 -7.587 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.609 -8.123 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.474 -7.314 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.449 -8.767 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.271 -8.555 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.378 -10.185 2.421 1.00 0.00 H new ATOM 729 N GLU A 49 0.916 -9.159 7.211 1.00 0.00 N ATOM 730 CA GLU A 49 0.918 -8.992 8.633 1.00 0.00 C ATOM 731 C GLU A 49 -0.371 -8.315 9.081 1.00 0.00 C ATOM 732 O GLU A 49 -1.034 -8.779 10.006 1.00 0.00 O ATOM 733 CB GLU A 49 2.130 -8.189 9.019 1.00 0.00 C ATOM 734 CG GLU A 49 2.426 -8.225 10.498 1.00 0.00 C ATOM 735 CD GLU A 49 1.637 -7.208 11.297 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.187 -7.541 12.414 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.459 -6.073 10.810 1.00 0.00 O1- ATOM 0 H GLU A 49 1.668 -8.657 6.738 1.00 0.00 H new ATOM 0 HA GLU A 49 0.965 -9.961 9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.995 -8.566 8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.984 -7.154 8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.209 -9.223 10.880 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.491 -8.049 10.652 1.00 0.00 H new ATOM 744 N SER A 50 -0.724 -7.221 8.411 1.00 0.00 N ATOM 745 CA SER A 50 -2.001 -6.561 8.659 1.00 0.00 C ATOM 746 C SER A 50 -2.333 -5.582 7.537 1.00 0.00 C ATOM 747 O SER A 50 -1.515 -4.744 7.181 1.00 0.00 O ATOM 748 CB SER A 50 -1.965 -5.830 10.005 1.00 0.00 C ATOM 749 OG SER A 50 -0.849 -4.955 10.089 1.00 0.00 O ATOM 0 H SER A 50 -0.148 -6.776 7.697 1.00 0.00 H new ATOM 0 HA SER A 50 -2.780 -7.323 8.690 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.886 -5.262 10.137 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.921 -6.558 10.815 1.00 0.00 H new ATOM 0 HG SER A 50 -0.056 -5.462 10.361 1.00 0.00 H new ATOM 755 N ALA A 51 -3.533 -5.687 6.976 1.00 0.00 N ATOM 756 CA ALA A 51 -3.939 -4.774 5.914 1.00 0.00 C ATOM 757 C ALA A 51 -5.134 -3.940 6.330 1.00 0.00 C ATOM 758 O ALA A 51 -6.177 -4.466 6.722 1.00 0.00 O ATOM 759 CB ALA A 51 -4.224 -5.513 4.617 1.00 0.00 C ATOM 0 H ALA A 51 -4.232 -6.384 7.234 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.102 -4.099 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.524 -4.799 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.326 -6.039 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.027 -6.232 4.777 1.00 0.00 H new ATOM 765 N LYS A 52 -4.964 -2.633 6.259 1.00 0.00 N ATOM 766 CA LYS A 52 -5.994 -1.701 6.637 1.00 0.00 C ATOM 767 C LYS A 52 -6.555 -0.998 5.411 1.00 0.00 C ATOM 768 O LYS A 52 -5.806 -0.531 4.554 1.00 0.00 O ATOM 769 CB LYS A 52 -5.397 -0.669 7.583 1.00 0.00 C ATOM 770 CG LYS A 52 -6.404 0.300 8.153 1.00 0.00 C ATOM 771 CD LYS A 52 -5.705 1.539 8.660 1.00 0.00 C ATOM 772 CE LYS A 52 -4.839 1.251 9.874 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.636 0.768 11.034 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.103 -2.193 5.936 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.804 -2.241 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.903 -1.188 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.628 -0.107 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.132 0.571 7.388 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.956 -0.173 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.087 1.957 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.448 2.294 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.090 0.503 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.301 2.156 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.061 0.827 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.485 1.359 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.920 -0.220 10.873 1.00 0.00 H new ATOM 787 N LEU A 53 -7.866 -0.929 5.334 1.00 0.00 N ATOM 788 CA LEU A 53 -8.534 -0.152 4.311 1.00 0.00 C ATOM 789 C LEU A 53 -9.102 1.086 4.950 1.00 0.00 C ATOM 790 O LEU A 53 -9.660 1.023 6.049 1.00 0.00 O ATOM 791 CB LEU A 53 -9.665 -0.943 3.660 1.00 0.00 C ATOM 792 CG LEU A 53 -10.538 -0.139 2.701 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.171 -0.451 1.259 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.010 -0.420 2.956 1.00 0.00 C ATOM 0 H LEU A 53 -8.498 -1.408 5.976 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.811 0.103 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.235 -1.786 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.298 -1.358 4.445 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.359 0.922 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.803 0.131 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.126 -0.194 1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.320 -1.514 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.617 0.162 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.209 -1.482 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.261 -0.142 3.980 1.00 0.00 H new ATOM 806 N ILE A 54 -8.959 2.207 4.289 1.00 0.00 N ATOM 807 CA ILE A 54 -9.497 3.433 4.819 1.00 0.00 C ATOM 808 C ILE A 54 -10.852 3.705 4.206 1.00 0.00 C ATOM 809 O ILE A 54 -10.966 3.991 3.014 1.00 0.00 O ATOM 810 CB ILE A 54 -8.577 4.631 4.573 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.151 4.341 5.062 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.142 5.870 5.252 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.064 3.840 6.490 1.00 0.00 C ATOM 0 H ILE A 54 -8.480 2.296 3.393 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.588 3.305 5.898 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.526 4.814 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.698 3.600 4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.558 5.251 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.481 6.717 5.071 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.130 6.088 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.221 5.693 6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.021 3.662 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.483 4.587 7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.625 2.911 6.584 1.00 0.00 H new ATOM 934 N SER A 62 -14.711 3.612 0.573 1.00 0.00 N ATOM 935 CA SER A 62 -13.269 3.726 0.700 1.00 0.00 C ATOM 936 C SER A 62 -12.842 5.139 0.343 1.00 0.00 C ATOM 937 O SER A 62 -13.320 5.710 -0.638 1.00 0.00 O ATOM 938 CB SER A 62 -12.572 2.710 -0.209 1.00 0.00 C ATOM 939 OG SER A 62 -11.162 2.853 -0.166 1.00 0.00 O ATOM 0 HA SER A 62 -12.981 3.514 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.845 1.700 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.920 2.839 -1.234 1.00 0.00 H new ATOM 0 HG SER A 62 -10.748 2.189 -0.756 1.00 0.00 H new ATOM 945 N LEU A 63 -11.958 5.704 1.145 1.00 0.00 N ATOM 946 CA LEU A 63 -11.533 7.079 0.952 1.00 0.00 C ATOM 947 C LEU A 63 -10.387 7.151 -0.053 1.00 0.00 C ATOM 948 O LEU A 63 -9.822 8.217 -0.299 1.00 0.00 O ATOM 949 CB LEU A 63 -11.143 7.709 2.291 1.00 0.00 C ATOM 950 CG LEU A 63 -12.253 7.714 3.355 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.816 8.500 4.578 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.547 8.285 2.791 1.00 0.00 C ATOM 0 H LEU A 63 -11.520 5.232 1.936 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.367 7.650 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.281 7.174 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.826 8.737 2.113 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.439 6.682 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.615 8.492 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.922 8.044 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.598 9.529 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.316 8.277 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.378 9.309 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.875 7.678 1.947 1.00 0.00 H new ATOM 964 N GLY A 64 -10.052 6.005 -0.631 1.00 0.00 N ATOM 965 CA GLY A 64 -9.117 5.980 -1.737 1.00 0.00 C ATOM 966 C GLY A 64 -7.696 5.660 -1.335 1.00 0.00 C ATOM 967 O GLY A 64 -6.763 5.999 -2.057 1.00 0.00 O ATOM 0 H GLY A 64 -10.412 5.092 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.452 5.242 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.133 6.950 -2.235 1.00 0.00 H new ATOM 971 N TYR A 65 -7.518 5.009 -0.193 1.00 0.00 N ATOM 972 CA TYR A 65 -6.186 4.585 0.229 1.00 0.00 C ATOM 973 C TYR A 65 -6.260 3.609 1.397 1.00 0.00 C ATOM 974 O TYR A 65 -7.318 3.433 2.004 1.00 0.00 O ATOM 975 CB TYR A 65 -5.301 5.793 0.582 1.00 0.00 C ATOM 976 CG TYR A 65 -5.688 6.540 1.829 1.00 0.00 C ATOM 977 CD1 TYR A 65 -6.842 7.309 1.889 1.00 0.00 C ATOM 978 CD2 TYR A 65 -4.868 6.496 2.942 1.00 0.00 C ATOM 979 CE1 TYR A 65 -7.166 8.014 3.029 1.00 0.00 C ATOM 980 CE2 TYR A 65 -5.185 7.191 4.085 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.332 7.951 4.129 1.00 0.00 C ATOM 982 OH TYR A 65 -6.643 8.652 5.273 1.00 0.00 O ATOM 0 H TYR A 65 -8.269 4.764 0.453 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.727 4.067 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.273 5.448 0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.316 6.489 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.496 7.356 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.964 5.906 2.913 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.065 8.611 3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.536 7.141 4.947 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.952 8.496 5.950 1.00 0.00 H new ATOM 992 N GLY A 66 -5.139 2.961 1.683 1.00 0.00 N ATOM 993 CA GLY A 66 -5.071 1.997 2.762 1.00 0.00 C ATOM 994 C GLY A 66 -3.642 1.729 3.181 1.00 0.00 C ATOM 995 O GLY A 66 -2.714 2.328 2.640 1.00 0.00 O ATOM 0 H GLY A 66 -4.263 3.090 1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.638 2.366 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.539 1.064 2.447 1.00 0.00 H new ATOM 999 N PHE A 67 -3.463 0.828 4.139 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.141 0.524 4.680 1.00 0.00 C ATOM 1001 C PHE A 67 -2.014 -0.969 4.957 1.00 0.00 C ATOM 1002 O PHE A 67 -2.627 -1.480 5.890 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.911 1.285 5.994 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.987 2.782 5.879 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.869 3.522 5.534 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -3.175 3.450 6.128 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.935 4.899 5.441 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.247 4.825 6.034 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.125 5.551 5.690 1.00 0.00 C ATOM 0 H PHE A 67 -4.221 0.291 4.561 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.398 0.829 3.943 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.650 0.953 6.723 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.931 1.014 6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.065 3.017 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.056 2.887 6.399 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.055 5.465 5.173 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.180 5.332 6.229 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.178 6.627 5.616 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.227 -1.669 4.158 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.980 -3.077 4.398 1.00 0.00 C ATOM 1021 C VAL A 68 0.460 -3.321 4.813 1.00 0.00 C ATOM 1022 O VAL A 68 1.404 -3.069 4.067 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.397 -3.968 3.195 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.538 -3.150 1.938 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.443 -5.140 2.965 1.00 0.00 C ATOM 0 H VAL A 68 -0.751 -1.286 3.341 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.617 -3.374 5.231 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.368 -4.393 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.830 -3.799 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.300 -2.385 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.586 -2.674 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.786 -5.726 2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.559 -4.760 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.421 -5.771 3.854 1.00 0.00 H new ATOM 1035 N ASN A 69 0.604 -3.769 6.041 1.00 0.00 N ATOM 1036 CA ASN A 69 1.890 -4.121 6.600 1.00 0.00 C ATOM 1037 C ASN A 69 2.194 -5.565 6.269 1.00 0.00 C ATOM 1038 O ASN A 69 1.422 -6.459 6.609 1.00 0.00 O ATOM 1039 CB ASN A 69 1.868 -3.936 8.118 1.00 0.00 C ATOM 1040 CG ASN A 69 3.254 -3.936 8.737 1.00 0.00 C ATOM 1041 OD1 ASN A 69 3.944 -2.917 8.754 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.653 -5.064 9.291 1.00 0.00 N ATOM 0 H ASN A 69 -0.176 -3.900 6.685 1.00 0.00 H new ATOM 0 HA ASN A 69 2.659 -3.475 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.370 -2.996 8.356 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.276 -4.734 8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.561 -5.112 9.753 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.054 -5.889 9.257 1.00 0.00 H new ATOM 1049 N TYR A 70 3.289 -5.794 5.583 1.00 0.00 N ATOM 1050 CA TYR A 70 3.707 -7.144 5.276 1.00 0.00 C ATOM 1051 C TYR A 70 4.497 -7.732 6.427 1.00 0.00 C ATOM 1052 O TYR A 70 4.922 -7.020 7.334 1.00 0.00 O ATOM 1053 CB TYR A 70 4.557 -7.174 4.014 1.00 0.00 C ATOM 1054 CG TYR A 70 3.774 -7.255 2.731 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.215 -8.459 2.327 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.610 -6.146 1.912 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.518 -8.558 1.146 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.909 -6.240 0.732 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.367 -7.446 0.354 1.00 0.00 C ATOM 1060 OH TYR A 70 1.682 -7.541 -0.831 1.00 0.00 O ATOM 0 H TYR A 70 3.907 -5.065 5.227 1.00 0.00 H new ATOM 0 HA TYR A 70 2.809 -7.741 5.114 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.178 -6.279 3.989 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.232 -8.028 4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.329 -9.333 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.038 -5.198 2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.092 -9.503 0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.785 -5.370 0.105 1.00 0.00 H new ATOM 0 HH TYR A 70 1.314 -6.664 -1.067 1.00 0.00 H new ATOM 1070 N VAL A 71 4.686 -9.043 6.382 1.00 0.00 N ATOM 1071 CA VAL A 71 5.487 -9.728 7.381 1.00 0.00 C ATOM 1072 C VAL A 71 6.970 -9.464 7.109 1.00 0.00 C ATOM 1073 O VAL A 71 7.817 -9.566 7.994 1.00 0.00 O ATOM 1074 CB VAL A 71 5.219 -11.248 7.371 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.726 -11.522 7.499 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.786 -11.887 6.112 1.00 0.00 C ATOM 0 H VAL A 71 4.295 -9.652 5.663 1.00 0.00 H new ATOM 0 HA VAL A 71 5.213 -9.344 8.364 1.00 0.00 H new ATOM 0 HB VAL A 71 5.723 -11.695 8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.551 -12.598 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.358 -11.102 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.199 -11.062 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.586 -12.958 6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.317 -11.441 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.862 -11.720 6.072 1.00 0.00 H new ATOM 1086 N THR A 72 7.254 -9.115 5.860 1.00 0.00 N ATOM 1087 CA THR A 72 8.597 -8.802 5.408 1.00 0.00 C ATOM 1088 C THR A 72 8.629 -7.420 4.781 1.00 0.00 C ATOM 1089 O THR A 72 7.589 -6.866 4.426 1.00 0.00 O ATOM 1090 CB THR A 72 9.059 -9.786 4.320 1.00 0.00 C ATOM 1091 OG1 THR A 72 8.005 -9.974 3.370 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.499 -11.121 4.882 1.00 0.00 C ATOM 0 H THR A 72 6.548 -9.042 5.127 1.00 0.00 H new ATOM 0 HA THR A 72 9.248 -8.861 6.280 1.00 0.00 H new ATOM 0 HB THR A 72 9.932 -9.349 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.107 -10.847 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.814 -11.773 4.067 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.332 -10.970 5.568 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.668 -11.583 5.416 1.00 0.00 H new ATOM 1100 N ALA A 73 9.819 -6.869 4.636 1.00 0.00 N ATOM 1101 CA ALA A 73 10.009 -5.719 3.768 1.00 0.00 C ATOM 1102 C ALA A 73 10.279 -6.243 2.362 1.00 0.00 C ATOM 1103 O ALA A 73 10.209 -5.514 1.371 1.00 0.00 O ATOM 1104 CB ALA A 73 11.145 -4.834 4.262 1.00 0.00 C ATOM 0 H ALA A 73 10.665 -7.195 5.104 1.00 0.00 H new ATOM 0 HA ALA A 73 9.115 -5.095 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.261 -3.983 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.917 -4.476 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.071 -5.409 4.283 1.00 0.00 H new ATOM 1110 N LYS A 74 10.576 -7.537 2.313 1.00 0.00 N ATOM 1111 CA LYS A 74 10.782 -8.276 1.076 1.00 0.00 C ATOM 1112 C LYS A 74 9.509 -8.311 0.226 1.00 0.00 C ATOM 1113 O LYS A 74 9.515 -7.875 -0.924 1.00 0.00 O ATOM 1114 CB LYS A 74 11.267 -9.687 1.429 1.00 0.00 C ATOM 1115 CG LYS A 74 11.270 -10.651 0.269 1.00 0.00 C ATOM 1116 CD LYS A 74 10.244 -11.743 0.481 1.00 0.00 C ATOM 1117 CE LYS A 74 9.789 -12.312 -0.844 1.00 0.00 C ATOM 1118 NZ LYS A 74 10.848 -13.120 -1.505 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.682 -8.111 3.149 1.00 0.00 H new ATOM 0 HA LYS A 74 11.538 -7.775 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.277 -9.621 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.633 -10.089 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.054 -10.116 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.261 -11.092 0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.671 -12.536 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.388 -11.344 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.907 -12.933 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.492 -11.497 -1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.490 -13.489 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.681 -12.523 -1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.114 -13.914 -0.888 1.00 0.00 H new ATOM 1132 N ASP A 75 8.415 -8.806 0.797 1.00 0.00 N ATOM 1133 CA ASP A 75 7.142 -8.865 0.081 1.00 0.00 C ATOM 1134 C ASP A 75 6.532 -7.471 -0.037 1.00 0.00 C ATOM 1135 O ASP A 75 5.642 -7.239 -0.852 1.00 0.00 O ATOM 1136 CB ASP A 75 6.170 -9.834 0.767 1.00 0.00 C ATOM 1137 CG ASP A 75 6.622 -11.281 0.656 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.420 -11.898 -0.414 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.186 -11.809 1.639 1.00 0.00 O1- ATOM 0 H ASP A 75 8.383 -9.171 1.749 1.00 0.00 H new ATOM 0 HA ASP A 75 7.332 -9.242 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.075 -9.565 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.181 -9.730 0.321 1.00 0.00 H new ATOM 1144 N ALA A 76 7.025 -6.542 0.773 1.00 0.00 N ATOM 1145 CA ALA A 76 6.615 -5.144 0.676 1.00 0.00 C ATOM 1146 C ALA A 76 7.094 -4.541 -0.640 1.00 0.00 C ATOM 1147 O ALA A 76 6.292 -4.067 -1.443 1.00 0.00 O ATOM 1148 CB ALA A 76 7.150 -4.355 1.862 1.00 0.00 C ATOM 0 H ALA A 76 7.710 -6.730 1.505 1.00 0.00 H new ATOM 0 HA ALA A 76 5.526 -5.094 0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.837 -3.314 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.758 -4.778 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.239 -4.407 1.872 1.00 0.00 H new ATOM 1154 N GLU A 77 8.402 -4.584 -0.868 1.00 0.00 N ATOM 1155 CA GLU A 77 8.975 -4.164 -2.142 1.00 0.00 C ATOM 1156 C GLU A 77 8.377 -4.987 -3.273 1.00 0.00 C ATOM 1157 O GLU A 77 8.159 -4.486 -4.376 1.00 0.00 O ATOM 1158 CB GLU A 77 10.494 -4.337 -2.105 1.00 0.00 C ATOM 1159 CG GLU A 77 11.162 -4.137 -3.450 1.00 0.00 C ATOM 1160 CD GLU A 77 12.644 -4.426 -3.408 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.436 -3.481 -3.204 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.029 -5.602 -3.576 1.00 0.00 O1- ATOM 0 H GLU A 77 9.088 -4.906 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 77 8.744 -3.113 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.914 -3.628 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.728 -5.336 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.689 -4.786 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.004 -3.111 -3.781 1.00 0.00 H new ATOM 1169 N ARG A 78 8.067 -6.242 -2.968 1.00 0.00 N ATOM 1170 CA ARG A 78 7.483 -7.149 -3.930 1.00 0.00 C ATOM 1171 C ARG A 78 6.136 -6.607 -4.370 1.00 0.00 C ATOM 1172 O ARG A 78 5.797 -6.628 -5.543 1.00 0.00 O ATOM 1173 CB ARG A 78 7.320 -8.515 -3.283 1.00 0.00 C ATOM 1174 CG ARG A 78 7.103 -9.664 -4.240 1.00 0.00 C ATOM 1175 CD ARG A 78 7.125 -10.984 -3.487 1.00 0.00 C ATOM 1176 NE ARG A 78 6.983 -12.134 -4.370 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.778 -13.375 -3.935 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.608 -13.611 -2.636 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.723 -14.378 -4.804 1.00 0.00 N ATOM 0 H ARG A 78 8.216 -6.652 -2.046 1.00 0.00 H new ATOM 0 HA ARG A 78 8.128 -7.243 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.208 -8.724 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.476 -8.474 -2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.148 -9.545 -4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.879 -9.661 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.061 -11.068 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.320 -10.993 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 78 7.044 -11.980 -5.376 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.635 -12.839 -1.970 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.451 -14.564 -2.307 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.838 -14.196 -5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.566 -15.330 -4.474 1.00 0.00 H new ATOM 1193 N ALA A 79 5.380 -6.085 -3.418 1.00 0.00 N ATOM 1194 CA ALA A 79 4.084 -5.517 -3.719 1.00 0.00 C ATOM 1195 C ALA A 79 4.229 -4.248 -4.534 1.00 0.00 C ATOM 1196 O ALA A 79 3.418 -3.967 -5.413 1.00 0.00 O ATOM 1197 CB ALA A 79 3.300 -5.247 -2.444 1.00 0.00 C ATOM 0 H ALA A 79 5.644 -6.045 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 79 3.528 -6.243 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.329 -4.820 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.155 -6.181 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.853 -4.546 -1.819 1.00 0.00 H new ATOM 1203 N ILE A 80 5.268 -3.487 -4.250 1.00 0.00 N ATOM 1204 CA ILE A 80 5.492 -2.236 -4.947 1.00 0.00 C ATOM 1205 C ILE A 80 5.942 -2.448 -6.389 1.00 0.00 C ATOM 1206 O ILE A 80 5.588 -1.676 -7.279 1.00 0.00 O ATOM 1207 CB ILE A 80 6.522 -1.374 -4.228 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.148 -1.216 -2.758 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.597 -0.023 -4.903 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.199 -0.520 -1.940 1.00 0.00 C ATOM 0 H ILE A 80 5.968 -3.712 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 80 4.531 -1.722 -4.956 1.00 0.00 H new ATOM 0 HB ILE A 80 7.498 -1.857 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.215 -0.656 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.961 -2.202 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.333 0.598 -4.393 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.891 -0.152 -5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.621 0.460 -4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.864 -0.444 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.127 -1.090 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.369 0.479 -2.341 1.00 0.00 H new ATOM 1222 N ASN A 81 6.725 -3.476 -6.637 1.00 0.00 N ATOM 1223 CA ASN A 81 7.203 -3.706 -7.986 1.00 0.00 C ATOM 1224 C ASN A 81 6.250 -4.594 -8.761 1.00 0.00 C ATOM 1225 O ASN A 81 6.162 -4.518 -9.986 1.00 0.00 O ATOM 1226 CB ASN A 81 8.616 -4.289 -7.986 1.00 0.00 C ATOM 1227 CG ASN A 81 8.784 -5.576 -7.194 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.938 -6.467 -7.213 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.892 -5.669 -6.475 1.00 0.00 N ATOM 0 H ASN A 81 7.039 -4.153 -5.941 1.00 0.00 H new ATOM 0 HA ASN A 81 7.244 -2.739 -8.487 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.916 -4.474 -9.018 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.300 -3.542 -7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.066 -6.501 -5.912 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.572 -4.908 -6.485 1.00 0.00 H new ATOM 1236 N THR A 82 5.537 -5.428 -8.041 1.00 0.00 N ATOM 1237 CA THR A 82 4.618 -6.355 -8.651 1.00 0.00 C ATOM 1238 C THR A 82 3.212 -5.762 -8.780 1.00 0.00 C ATOM 1239 O THR A 82 2.690 -5.615 -9.885 1.00 0.00 O ATOM 1240 CB THR A 82 4.583 -7.669 -7.854 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.804 -8.393 -8.059 1.00 0.00 O ATOM 1242 CG2 THR A 82 3.378 -8.529 -8.220 1.00 0.00 C ATOM 0 H THR A 82 5.578 -5.482 -7.023 1.00 0.00 H new ATOM 0 HA THR A 82 4.975 -6.562 -9.660 1.00 0.00 H new ATOM 0 HB THR A 82 4.485 -7.418 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.565 -7.830 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.394 -9.447 -7.633 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.461 -7.979 -8.009 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.416 -8.776 -9.281 1.00 0.00 H new ATOM 1250 N LEU A 83 2.609 -5.409 -7.650 1.00 0.00 N ATOM 1251 CA LEU A 83 1.231 -4.956 -7.637 1.00 0.00 C ATOM 1252 C LEU A 83 1.094 -3.499 -8.036 1.00 0.00 C ATOM 1253 O LEU A 83 0.287 -3.188 -8.894 1.00 0.00 O ATOM 1254 CB LEU A 83 0.623 -5.140 -6.254 1.00 0.00 C ATOM 1255 CG LEU A 83 0.540 -6.583 -5.753 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.044 -6.615 -4.354 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.295 -7.439 -6.689 1.00 0.00 C ATOM 0 H LEU A 83 3.056 -5.429 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 83 0.701 -5.564 -8.371 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.208 -4.560 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.382 -4.718 -6.260 1.00 0.00 H new ATOM 0 HG LEU A 83 1.549 -6.994 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.099 -7.647 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.591 -6.039 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.045 -6.183 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.337 -8.460 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.305 -7.033 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.156 -7.440 -7.681 1.00 0.00 H new ATOM 1269 N ASN A 84 1.887 -2.621 -7.411 1.00 0.00 N ATOM 1270 CA ASN A 84 1.731 -1.166 -7.549 1.00 0.00 C ATOM 1271 C ASN A 84 1.384 -0.745 -8.978 1.00 0.00 C ATOM 1272 O ASN A 84 2.210 -0.806 -9.889 1.00 0.00 O ATOM 1273 CB ASN A 84 2.999 -0.476 -7.044 1.00 0.00 C ATOM 1274 CG ASN A 84 2.994 1.025 -7.223 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.942 1.654 -7.266 1.00 0.00 O ATOM 1276 ND2 ASN A 84 4.180 1.608 -7.297 1.00 0.00 N ATOM 0 H ASN A 84 2.653 -2.897 -6.797 1.00 0.00 H new ATOM 0 HA ASN A 84 0.884 -0.851 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.129 -0.705 -5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.860 -0.891 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.245 2.621 -7.394 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.029 1.044 -7.257 1.00 0.00 H new ATOM 1283 N GLY A 85 0.140 -0.300 -9.135 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.442 -0.079 -10.443 1.00 0.00 C ATOM 1285 C GLY A 85 -1.359 -1.223 -10.834 1.00 0.00 C ATOM 1286 O GLY A 85 -1.620 -1.451 -12.015 1.00 0.00 O ATOM 0 H GLY A 85 -0.486 -0.085 -8.359 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.002 0.856 -10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.351 0.025 -11.184 1.00 0.00 H new ATOM 1290 N LEU A 86 -1.849 -1.948 -9.832 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.723 -3.084 -10.068 1.00 0.00 C ATOM 1292 C LEU A 86 -4.145 -2.595 -10.262 1.00 0.00 C ATOM 1293 O LEU A 86 -4.634 -1.758 -9.500 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.645 -4.063 -8.884 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.873 -5.549 -9.210 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.285 -5.797 -9.715 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.853 -6.040 -10.227 1.00 0.00 C ATOM 0 H LEU A 86 -1.653 -1.765 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.403 -3.608 -10.969 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.664 -3.961 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.382 -3.759 -8.140 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.743 -6.112 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.412 -6.857 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.002 -5.497 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.455 -5.215 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.033 -7.093 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.947 -5.460 -11.145 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.848 -5.919 -9.822 1.00 0.00 H new ATOM 1309 N ARG A 87 -4.791 -3.097 -11.300 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.155 -2.740 -11.596 1.00 0.00 C ATOM 1311 C ARG A 87 -7.103 -3.470 -10.647 1.00 0.00 C ATOM 1312 O ARG A 87 -7.541 -4.590 -10.917 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.475 -3.091 -13.047 1.00 0.00 C ATOM 1314 CG ARG A 87 -7.712 -2.400 -13.578 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.485 -0.906 -13.759 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.405 -0.623 -14.704 1.00 0.00 N ATOM 1317 CZ ARG A 87 -6.288 0.516 -15.384 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -7.193 1.477 -15.242 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -5.264 0.688 -16.210 1.00 0.00 N ATOM 0 H ARG A 87 -4.380 -3.761 -11.956 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.286 -1.667 -11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.623 -2.825 -13.673 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.607 -4.170 -13.131 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.996 -2.844 -14.532 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.543 -2.562 -12.891 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.405 -0.440 -14.111 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.249 -0.456 -12.795 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.697 -1.343 -14.851 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.982 1.345 -14.610 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.099 2.348 -15.765 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.570 -0.051 -16.322 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.171 1.559 -16.733 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.392 -2.835 -9.528 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.321 -3.367 -8.552 1.00 0.00 C ATOM 1335 C LEU A 88 -9.713 -2.838 -8.815 1.00 0.00 C ATOM 1336 O LEU A 88 -9.965 -1.650 -8.648 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.885 -2.988 -7.140 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.108 -4.067 -6.403 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.587 -3.537 -5.085 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.001 -5.267 -6.161 1.00 0.00 C ATOM 0 H LEU A 88 -6.988 -1.934 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.328 -4.453 -8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.270 -2.089 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.770 -2.735 -6.557 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.259 -4.368 -7.016 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.033 -4.322 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.928 -2.689 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.424 -3.218 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.440 -6.038 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.859 -4.967 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.347 -5.661 -7.116 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.603 -3.715 -9.263 1.00 0.00 N ATOM 1353 CA GLN A 89 -11.997 -3.351 -9.510 1.00 0.00 C ATOM 1354 C GLN A 89 -12.085 -2.156 -10.451 1.00 0.00 C ATOM 1355 O GLN A 89 -12.908 -1.264 -10.259 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.689 -3.032 -8.197 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.675 -4.186 -7.207 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.365 -3.856 -5.898 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.335 -2.592 -5.514 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -13.918 -4.731 -5.233 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.384 -4.691 -9.465 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.496 -4.197 -9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.206 -2.167 -7.742 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.722 -2.750 -8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.161 -5.050 -7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.642 -4.471 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.921 -5.696 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.374 -4.491 -4.353 1.00 0.00 H new ATOM 1369 N SER A 90 -11.181 -2.156 -11.429 1.00 0.00 N ATOM 1370 CA SER A 90 -11.083 -1.144 -12.496 1.00 0.00 C ATOM 1371 C SER A 90 -10.305 0.091 -12.035 1.00 0.00 C ATOM 1372 O SER A 90 -10.025 0.993 -12.824 1.00 0.00 O ATOM 1373 CB SER A 90 -12.465 -0.744 -13.039 1.00 0.00 C ATOM 1374 OG SER A 90 -13.080 0.262 -12.247 1.00 0.00 O ATOM 0 H SER A 90 -10.469 -2.882 -11.509 1.00 0.00 H new ATOM 0 HA SER A 90 -10.528 -1.606 -13.312 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.362 -0.386 -14.063 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.109 -1.623 -13.072 1.00 0.00 H new ATOM 0 HG SER A 90 -12.940 0.062 -11.298 1.00 0.00 H new ATOM 1380 N LYS A 91 -9.933 0.105 -10.769 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.193 1.220 -10.192 1.00 0.00 C ATOM 1382 C LYS A 91 -7.715 0.864 -10.058 1.00 0.00 C ATOM 1383 O LYS A 91 -7.379 -0.221 -9.602 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.764 1.556 -8.816 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.146 3.004 -8.642 1.00 0.00 C ATOM 1386 CD LYS A 91 -8.921 3.884 -8.665 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.055 5.006 -7.662 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.303 6.221 -8.074 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.132 -0.649 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.289 2.084 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.643 0.936 -8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.029 1.292 -8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.830 3.303 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.676 3.135 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.035 3.290 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.781 4.297 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.109 5.257 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.692 4.668 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.410 6.958 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.296 5.986 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.677 6.570 -8.980 1.00 0.00 H new ATOM 1402 N THR A 92 -6.831 1.770 -10.451 1.00 0.00 N ATOM 1403 CA THR A 92 -5.403 1.493 -10.378 1.00 0.00 C ATOM 1404 C THR A 92 -4.801 2.060 -9.101 1.00 0.00 C ATOM 1405 O THR A 92 -4.825 3.269 -8.871 1.00 0.00 O ATOM 1406 CB THR A 92 -4.643 2.064 -11.580 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.558 2.359 -12.646 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.589 1.078 -12.067 1.00 0.00 C ATOM 0 H THR A 92 -7.072 2.690 -10.819 1.00 0.00 H new ATOM 0 HA THR A 92 -5.300 0.408 -10.384 1.00 0.00 H new ATOM 0 HB THR A 92 -4.146 2.982 -11.267 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.064 2.725 -13.409 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.061 1.502 -12.921 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.879 0.878 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.072 0.147 -12.365 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.239 1.178 -8.296 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.738 1.526 -6.976 1.00 0.00 C ATOM 1418 C ILE A 93 -2.255 1.867 -7.004 1.00 0.00 C ATOM 1419 O ILE A 93 -1.565 1.583 -7.982 1.00 0.00 O ATOM 1420 CB ILE A 93 -3.952 0.355 -6.016 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.079 -0.827 -6.445 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.422 -0.026 -6.007 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.291 -2.069 -5.623 1.00 0.00 C ATOM 0 H ILE A 93 -4.116 0.195 -8.539 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.289 2.404 -6.640 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.663 0.643 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.282 -1.056 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.031 -0.535 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.577 -0.861 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.017 0.827 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.728 -0.318 -7.012 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.638 -2.862 -5.987 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.059 -1.858 -4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.330 -2.388 -5.707 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.764 2.478 -5.934 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.346 2.765 -5.827 1.00 0.00 C ATOM 1437 C LYS A 94 0.165 2.375 -4.451 1.00 0.00 C ATOM 1438 O LYS A 94 -0.184 2.994 -3.448 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.041 4.237 -6.109 1.00 0.00 C ATOM 1440 CG LYS A 94 1.451 4.517 -6.192 1.00 0.00 C ATOM 1441 CD LYS A 94 1.748 5.938 -6.643 1.00 0.00 C ATOM 1442 CE LYS A 94 1.148 6.238 -8.008 1.00 0.00 C ATOM 1443 NZ LYS A 94 1.777 7.426 -8.643 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.323 2.781 -5.136 1.00 0.00 H new ATOM 0 HA LYS A 94 0.169 2.172 -6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.515 4.530 -7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.480 4.853 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.905 4.346 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.912 3.814 -6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.352 6.641 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.827 6.089 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.272 5.371 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.076 6.407 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.340 7.596 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.637 8.259 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.795 7.255 -8.766 1.00 0.00 H new ATOM 1457 N VAL A 95 0.985 1.339 -4.418 1.00 0.00 N ATOM 1458 CA VAL A 95 1.522 0.827 -3.172 1.00 0.00 C ATOM 1459 C VAL A 95 2.968 1.280 -2.993 1.00 0.00 C ATOM 1460 O VAL A 95 3.758 1.291 -3.940 1.00 0.00 O ATOM 1461 CB VAL A 95 1.407 -0.717 -3.083 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.656 -1.281 -4.270 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.758 -1.378 -2.934 1.00 0.00 C ATOM 0 H VAL A 95 1.295 0.833 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 95 0.924 1.238 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 95 0.835 -0.942 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.592 -2.365 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.349 -0.859 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.183 -1.025 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.630 -2.459 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.380 -1.132 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.240 -1.020 -2.024 1.00 0.00 H new ATOM 1473 N SER A 96 3.284 1.687 -1.779 1.00 0.00 N ATOM 1474 CA SER A 96 4.614 2.142 -1.411 1.00 0.00 C ATOM 1475 C SER A 96 4.756 2.052 0.099 1.00 0.00 C ATOM 1476 O SER A 96 3.770 1.880 0.793 1.00 0.00 O ATOM 1477 CB SER A 96 4.829 3.591 -1.862 1.00 0.00 C ATOM 1478 OG SER A 96 4.732 3.718 -3.271 1.00 0.00 O ATOM 0 H SER A 96 2.616 1.712 -1.009 1.00 0.00 H new ATOM 0 HA SER A 96 5.360 1.515 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.089 4.235 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.809 3.934 -1.532 1.00 0.00 H new ATOM 0 HG SER A 96 4.714 2.827 -3.679 1.00 0.00 H new ATOM 1484 N TYR A 97 5.972 2.146 0.603 1.00 0.00 N ATOM 1485 CA TYR A 97 6.193 2.209 2.045 1.00 0.00 C ATOM 1486 C TYR A 97 5.470 3.413 2.622 1.00 0.00 C ATOM 1487 O TYR A 97 5.770 4.551 2.255 1.00 0.00 O ATOM 1488 CB TYR A 97 7.674 2.330 2.345 1.00 0.00 C ATOM 1489 CG TYR A 97 8.504 1.265 1.686 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.717 0.049 2.303 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.093 1.496 0.458 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.504 -0.916 1.710 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.874 0.546 -0.150 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.081 -0.664 0.479 1.00 0.00 C ATOM 1495 OH TYR A 97 10.876 -1.611 -0.119 1.00 0.00 O ATOM 0 H TYR A 97 6.823 2.181 0.042 1.00 0.00 H new ATOM 0 HA TYR A 97 5.808 1.295 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.025 3.309 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.824 2.282 3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.262 -0.149 3.262 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.935 2.444 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.668 -1.862 2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.323 0.744 -1.112 1.00 0.00 H new ATOM 0 HH TYR A 97 10.819 -1.518 -1.093 1.00 0.00 H new ATOM 1505 N ALA A 98 4.514 3.162 3.501 1.00 0.00 N ATOM 1506 CA ALA A 98 3.779 4.241 4.137 1.00 0.00 C ATOM 1507 C ALA A 98 4.695 4.967 5.103 1.00 0.00 C ATOM 1508 O ALA A 98 5.268 4.341 5.993 1.00 0.00 O ATOM 1509 CB ALA A 98 2.550 3.706 4.859 1.00 0.00 C ATOM 0 H ALA A 98 4.230 2.226 3.789 1.00 0.00 H new ATOM 0 HA ALA A 98 3.435 4.939 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.015 4.532 5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.895 3.209 4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.859 2.993 5.624 1.00 0.00 H new