USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=24 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= -0.159 K(o=0.17,f=-5.4!) USER MOD Set 1.2: A 82 THR OG1 : rot 58:sc= 0.333 USER MOD Set 2.1: A 22 THR OG1 : rot 64:sc= 0.354 USER MOD Set 2.2: A 69 ASN : amide:sc= -0.345 K(o=0.009,f=-0.51) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.208 F(o=-3.1,f=-0.21) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0147 F(o=-1.6!,f=-0.015) USER MOD Single : A 32 ASN : amide:sc= 0.331 K(o=0.33,f=-4.6!) USER MOD Single : A 33 MET CE :methyl 138:sc= -6.79! (180deg=-8.41!) USER MOD Single : A 34 THR OG1 : rot -170:sc= -1.29! USER MOD Single : A 35 GLN :FLIP amide:sc= -3.78! C(o=-5.7!,f=-3.8!) USER MOD Single : A 40 SER OG : rot 80:sc= 1.29 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 29:sc= 0.081 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= -0.013 (180deg=-0.215) USER MOD Single : A 62 SER OG : rot 25:sc= 0.304 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.427 USER MOD Single : A 70 TYR OH : rot -32:sc= -2.19 USER MOD Single : A 72 THR OG1 : rot -156:sc= 1.38 USER MOD Single : A 74 LYS NZ :NH3+ -151:sc= 0.995 (180deg=-0.297!) USER MOD Single : A 84 ASN : amide:sc= -3.34 K(o=-3.3,f=-8.7!) USER MOD Single : A 89 GLN :FLIP amide:sc= -1.16 F(o=-4!,f=-1.2) USER MOD Single : A 90 SER OG : rot -46:sc= 0.15 USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= -3.07! (180deg=-4.04!) 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 -101:sc= 0.00563 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.012 -2.449 5.917 1.00 0.00 N ATOM 302 CA THR A 22 7.082 -3.513 5.597 1.00 0.00 C ATOM 303 C THR A 22 5.682 -2.944 5.414 1.00 0.00 C ATOM 304 O THR A 22 4.819 -3.556 4.785 1.00 0.00 O ATOM 305 CB THR A 22 7.063 -4.562 6.723 1.00 0.00 C ATOM 306 OG1 THR A 22 6.733 -3.929 7.967 1.00 0.00 O ATOM 307 CG2 THR A 22 8.417 -5.240 6.851 1.00 0.00 C ATOM 0 HA THR A 22 7.405 -3.988 4.671 1.00 0.00 H new ATOM 0 HB THR A 22 6.314 -5.315 6.478 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.825 -3.564 7.918 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.380 -5.977 7.653 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.666 -5.736 5.913 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.178 -4.493 7.079 1.00 0.00 H new ATOM 315 N ASN A 23 5.471 -1.763 5.975 1.00 0.00 N ATOM 316 CA ASN A 23 4.175 -1.100 5.922 1.00 0.00 C ATOM 317 C ASN A 23 3.976 -0.470 4.559 1.00 0.00 C ATOM 318 O ASN A 23 4.723 0.425 4.169 1.00 0.00 O ATOM 319 CB ASN A 23 4.101 -0.008 6.986 1.00 0.00 C ATOM 320 CG ASN A 23 2.678 0.335 7.410 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.721 0.218 6.501 1.00 0.00 O flip ATOM 322 ND2 ASN A 23 2.445 0.711 8.558 1.00 0.00 N flip ATOM 0 H ASN A 23 6.188 -1.239 6.477 1.00 0.00 H new ATOM 0 HA ASN A 23 3.397 -1.841 6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.665 -0.327 7.862 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.585 0.892 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.206 0.790 9.233 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.491 0.944 8.835 1.00 0.00 H new ATOM 329 N LEU A 24 2.978 -0.927 3.838 1.00 0.00 N ATOM 330 CA LEU A 24 2.690 -0.376 2.534 1.00 0.00 C ATOM 331 C LEU A 24 1.419 0.444 2.546 1.00 0.00 C ATOM 332 O LEU A 24 0.354 -0.030 2.938 1.00 0.00 O ATOM 333 CB LEU A 24 2.594 -1.495 1.497 1.00 0.00 C ATOM 334 CG LEU A 24 3.669 -1.475 0.412 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.058 -1.373 1.018 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.568 -2.720 -0.434 1.00 0.00 C ATOM 0 H LEU A 24 2.353 -1.678 4.132 1.00 0.00 H new ATOM 0 HA LEU A 24 3.510 0.290 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.642 -2.453 2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.617 -1.441 1.018 1.00 0.00 H new ATOM 0 HG LEU A 24 3.505 -0.597 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.802 -1.361 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.134 -0.455 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.235 -2.230 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.338 -2.699 -1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.708 -3.599 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.585 -2.762 -0.903 1.00 0.00 H new ATOM 348 N ILE A 25 1.554 1.688 2.131 1.00 0.00 N ATOM 349 CA ILE A 25 0.421 2.561 1.954 1.00 0.00 C ATOM 350 C ILE A 25 -0.094 2.388 0.531 1.00 0.00 C ATOM 351 O ILE A 25 0.673 2.434 -0.430 1.00 0.00 O ATOM 352 CB ILE A 25 0.786 4.040 2.222 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.488 4.877 2.274 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.771 4.568 1.185 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.255 6.354 2.488 1.00 0.00 C ATOM 0 H ILE A 25 2.452 2.117 1.909 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.352 2.293 2.675 1.00 0.00 H new ATOM 0 HB ILE A 25 1.287 4.112 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.037 4.739 1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.123 4.501 3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.006 5.610 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.685 3.976 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.327 4.497 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.213 6.874 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.265 6.507 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.351 6.749 1.673 1.00 0.00 H new ATOM 367 N VAL A 26 -1.372 2.131 0.392 1.00 0.00 N ATOM 368 CA VAL A 26 -1.929 1.875 -0.919 1.00 0.00 C ATOM 369 C VAL A 26 -3.032 2.857 -1.223 1.00 0.00 C ATOM 370 O VAL A 26 -4.092 2.825 -0.610 1.00 0.00 O ATOM 371 CB VAL A 26 -2.466 0.447 -1.034 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.790 0.123 -2.482 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.451 -0.525 -0.484 1.00 0.00 C ATOM 0 H VAL A 26 -2.042 2.093 1.160 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.125 1.996 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.384 0.361 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.171 -0.896 -2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.544 0.818 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.887 0.214 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.837 -1.541 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.523 -0.442 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.258 -0.295 0.564 1.00 0.00 H new ATOM 383 N ASN A 27 -2.763 3.737 -2.158 1.00 0.00 N ATOM 384 CA ASN A 27 -3.741 4.713 -2.582 1.00 0.00 C ATOM 385 C ASN A 27 -4.443 4.215 -3.817 1.00 0.00 C ATOM 386 O ASN A 27 -4.108 3.148 -4.342 1.00 0.00 O ATOM 387 CB ASN A 27 -3.088 6.063 -2.881 1.00 0.00 C ATOM 388 CG ASN A 27 -3.366 7.091 -1.809 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.368 7.805 -1.856 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.479 7.177 -0.841 1.00 0.00 N ATOM 0 H ASN A 27 -1.868 3.798 -2.643 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.456 4.851 -1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.011 5.928 -2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.452 6.435 -3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.608 7.855 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.663 6.565 -0.841 1.00 0.00 H new ATOM 397 N TYR A 28 -5.405 4.994 -4.278 1.00 0.00 N ATOM 398 CA TYR A 28 -6.131 4.681 -5.501 1.00 0.00 C ATOM 399 C TYR A 28 -6.871 3.348 -5.367 1.00 0.00 C ATOM 400 O TYR A 28 -7.040 2.620 -6.339 1.00 0.00 O ATOM 401 CB TYR A 28 -5.155 4.652 -6.679 1.00 0.00 C ATOM 402 CG TYR A 28 -4.439 5.957 -6.914 1.00 0.00 C ATOM 403 CD1 TYR A 28 -4.971 6.939 -7.738 1.00 0.00 C ATOM 404 CD2 TYR A 28 -3.219 6.201 -6.310 1.00 0.00 C ATOM 405 CE1 TYR A 28 -4.298 8.128 -7.952 1.00 0.00 C ATOM 406 CE2 TYR A 28 -2.540 7.380 -6.512 1.00 0.00 C ATOM 407 CZ TYR A 28 -3.082 8.345 -7.336 1.00 0.00 C ATOM 408 OH TYR A 28 -2.408 9.526 -7.545 1.00 0.00 O ATOM 0 H TYR A 28 -5.705 5.855 -3.821 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.878 5.454 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.416 3.870 -6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.700 4.381 -7.583 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.924 6.772 -8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.790 5.449 -5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.722 8.883 -8.598 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.589 7.549 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.570 9.518 -7.037 1.00 0.00 H new ATOM 418 N LEU A 29 -7.310 3.042 -4.157 1.00 0.00 N ATOM 419 CA LEU A 29 -8.131 1.862 -3.920 1.00 0.00 C ATOM 420 C LEU A 29 -9.547 2.113 -4.410 1.00 0.00 C ATOM 421 O LEU A 29 -10.005 3.259 -4.445 1.00 0.00 O ATOM 422 CB LEU A 29 -8.180 1.517 -2.427 1.00 0.00 C ATOM 423 CG LEU A 29 -6.847 1.137 -1.787 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.077 0.524 -0.415 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.086 0.174 -2.676 1.00 0.00 C ATOM 0 H LEU A 29 -7.112 3.594 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.686 1.028 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.588 2.373 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.877 0.691 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.249 2.041 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.118 0.258 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.586 1.245 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.692 -0.371 -0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.139 -0.086 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.678 -0.730 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.894 0.644 -3.641 1.00 0.00 H new ATOM 437 N PRO A 30 -10.252 1.049 -4.815 1.00 0.00 N ATOM 438 CA PRO A 30 -11.662 1.144 -5.168 1.00 0.00 C ATOM 439 C PRO A 30 -12.471 1.744 -4.027 1.00 0.00 C ATOM 440 O PRO A 30 -12.227 1.459 -2.855 1.00 0.00 O ATOM 441 CB PRO A 30 -12.090 -0.299 -5.411 1.00 0.00 C ATOM 442 CG PRO A 30 -10.833 -1.056 -5.661 1.00 0.00 C ATOM 443 CD PRO A 30 -9.724 -0.315 -4.970 1.00 0.00 C ATOM 0 HA PRO A 30 -11.824 1.786 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.623 -0.700 -4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.765 -0.369 -6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.914 -2.073 -5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.636 -1.133 -6.730 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.485 -0.763 -4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.808 -0.324 -5.561 1.00 0.00 H new ATOM 451 N GLN A 31 -13.443 2.558 -4.377 1.00 0.00 N ATOM 452 CA GLN A 31 -14.210 3.301 -3.394 1.00 0.00 C ATOM 453 C GLN A 31 -15.258 2.407 -2.726 1.00 0.00 C ATOM 454 O GLN A 31 -15.896 2.795 -1.748 1.00 0.00 O ATOM 455 CB GLN A 31 -14.863 4.496 -4.074 1.00 0.00 C ATOM 456 CG GLN A 31 -13.860 5.399 -4.781 1.00 0.00 C ATOM 457 CD GLN A 31 -12.956 6.142 -3.822 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.801 5.568 -3.532 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.281 7.236 -3.364 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.725 2.725 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.542 3.656 -2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.596 4.140 -4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.407 5.078 -3.330 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.250 4.798 -5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.399 6.120 -5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.182 7.646 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.650 7.734 -2.736 1.00 0.00 H new ATOM 468 N ASN A 32 -15.424 1.207 -3.269 1.00 0.00 N ATOM 469 CA ASN A 32 -16.348 0.217 -2.721 1.00 0.00 C ATOM 470 C ASN A 32 -15.577 -0.980 -2.165 1.00 0.00 C ATOM 471 O ASN A 32 -16.154 -2.027 -1.866 1.00 0.00 O ATOM 472 CB ASN A 32 -17.307 -0.267 -3.812 1.00 0.00 C ATOM 473 CG ASN A 32 -16.599 -1.030 -4.921 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.451 -0.739 -5.265 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.273 -2.016 -5.484 1.00 0.00 N ATOM 0 H ASN A 32 -14.924 0.892 -4.100 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.915 0.685 -1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.067 -0.907 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.825 0.591 -4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.846 -2.566 -6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.221 -2.228 -5.173 1.00 0.00 H new ATOM 482 N MET A 33 -14.270 -0.811 -2.046 1.00 0.00 N ATOM 483 CA MET A 33 -13.369 -1.889 -1.653 1.00 0.00 C ATOM 484 C MET A 33 -13.533 -2.313 -0.187 1.00 0.00 C ATOM 485 O MET A 33 -14.160 -1.621 0.612 1.00 0.00 O ATOM 486 CB MET A 33 -11.935 -1.443 -1.891 1.00 0.00 C ATOM 487 CG MET A 33 -10.920 -2.470 -1.467 1.00 0.00 C ATOM 488 SD MET A 33 -9.246 -1.870 -1.576 1.00 0.00 S ATOM 489 CE MET A 33 -8.720 -2.837 -2.959 1.00 0.00 C ATOM 0 H MET A 33 -13.801 0.078 -2.219 1.00 0.00 H new ATOM 0 HA MET A 33 -13.620 -2.758 -2.261 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.800 -1.223 -2.950 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.754 -0.516 -1.347 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.126 -2.776 -0.441 1.00 0.00 H new ATOM 0 HG3 MET A 33 -11.025 -3.357 -2.091 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.126 -2.218 -3.631 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.117 -3.675 -2.609 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.593 -3.216 -3.491 1.00 0.00 H new ATOM 499 N THR A 34 -12.942 -3.464 0.140 1.00 0.00 N ATOM 500 CA THR A 34 -12.905 -3.978 1.496 1.00 0.00 C ATOM 501 C THR A 34 -11.457 -4.225 1.903 1.00 0.00 C ATOM 502 O THR A 34 -10.581 -4.283 1.033 1.00 0.00 O ATOM 503 CB THR A 34 -13.676 -5.305 1.596 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.877 -6.377 1.076 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.955 -5.216 0.789 1.00 0.00 C ATOM 0 H THR A 34 -12.474 -4.064 -0.539 1.00 0.00 H new ATOM 0 HA THR A 34 -13.368 -3.244 2.156 1.00 0.00 H new ATOM 0 HB THR A 34 -13.909 -5.495 2.644 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.426 -7.185 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.498 -6.158 0.863 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.575 -4.408 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.713 -5.017 -0.255 1.00 0.00 H new ATOM 513 N GLN A 35 -11.188 -4.357 3.200 1.00 0.00 N ATOM 514 CA GLN A 35 -9.856 -4.753 3.650 1.00 0.00 C ATOM 515 C GLN A 35 -9.431 -6.008 2.935 1.00 0.00 C ATOM 516 O GLN A 35 -8.332 -6.091 2.423 1.00 0.00 O ATOM 517 CB GLN A 35 -9.803 -5.046 5.149 1.00 0.00 C ATOM 518 CG GLN A 35 -10.077 -3.860 6.048 1.00 0.00 C ATOM 519 CD GLN A 35 -11.535 -3.442 6.075 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.440 -4.391 5.867 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.848 -2.273 6.279 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.863 -4.198 3.948 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.195 -3.915 3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.527 -5.828 5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.818 -5.444 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.758 -4.102 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.472 -3.016 5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.125 -1.571 6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.832 -2.003 6.293 1.00 0.00 H new ATOM 530 N ASP A 36 -10.339 -6.964 2.888 1.00 0.00 N ATOM 531 CA ASP A 36 -10.062 -8.281 2.343 1.00 0.00 C ATOM 532 C ASP A 36 -9.592 -8.207 0.895 1.00 0.00 C ATOM 533 O ASP A 36 -8.729 -8.972 0.489 1.00 0.00 O ATOM 534 CB ASP A 36 -11.311 -9.148 2.449 1.00 0.00 C ATOM 535 CG ASP A 36 -11.054 -10.586 2.056 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.334 -11.288 2.796 1.00 0.00 O ATOM 537 OD2 ASP A 36 -11.582 -11.027 1.013 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.294 -6.849 3.228 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.254 -8.726 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.686 -9.116 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.092 -8.734 1.811 1.00 0.00 H new ATOM 542 N GLU A 37 -10.140 -7.281 0.118 1.00 0.00 N ATOM 543 CA GLU A 37 -9.721 -7.118 -1.268 1.00 0.00 C ATOM 544 C GLU A 37 -8.320 -6.522 -1.318 1.00 0.00 C ATOM 545 O GLU A 37 -7.445 -7.011 -2.033 1.00 0.00 O ATOM 546 CB GLU A 37 -10.701 -6.212 -2.021 1.00 0.00 C ATOM 547 CG GLU A 37 -12.140 -6.710 -2.014 1.00 0.00 C ATOM 548 CD GLU A 37 -12.314 -8.020 -2.755 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.666 -9.026 -2.111 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.094 -8.056 -3.984 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.870 -6.636 0.421 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.713 -8.097 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.671 -5.216 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.367 -6.113 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.471 -6.835 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.783 -5.955 -2.466 1.00 0.00 H new ATOM 557 N LEU A 38 -8.120 -5.477 -0.527 1.00 0.00 N ATOM 558 CA LEU A 38 -6.832 -4.814 -0.407 1.00 0.00 C ATOM 559 C LEU A 38 -5.805 -5.786 0.181 1.00 0.00 C ATOM 560 O LEU A 38 -4.626 -5.765 -0.160 1.00 0.00 O ATOM 561 CB LEU A 38 -7.037 -3.557 0.472 1.00 0.00 C ATOM 562 CG LEU A 38 -5.817 -2.669 0.738 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.094 -3.111 1.993 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.886 -2.675 -0.458 1.00 0.00 C ATOM 0 H LEU A 38 -8.851 -5.064 0.052 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.444 -4.503 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.805 -2.941 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.432 -3.881 1.435 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.162 -1.647 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.231 -2.466 2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.770 -3.043 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.759 -4.142 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.025 -2.039 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.548 -3.693 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.415 -2.297 -1.333 1.00 0.00 H new ATOM 576 N ARG A 39 -6.288 -6.664 1.029 1.00 0.00 N ATOM 577 CA ARG A 39 -5.455 -7.630 1.713 1.00 0.00 C ATOM 578 C ARG A 39 -5.127 -8.814 0.797 1.00 0.00 C ATOM 579 O ARG A 39 -3.987 -9.263 0.759 1.00 0.00 O ATOM 580 CB ARG A 39 -6.185 -8.086 2.989 1.00 0.00 C ATOM 581 CG ARG A 39 -5.315 -8.753 4.044 1.00 0.00 C ATOM 582 CD ARG A 39 -4.890 -10.144 3.630 1.00 0.00 C ATOM 583 NE ARG A 39 -4.173 -10.842 4.693 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.164 -12.166 4.844 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.876 -12.938 4.031 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.456 -12.717 5.820 1.00 0.00 N ATOM 0 H ARG A 39 -7.278 -6.730 1.267 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.504 -7.173 1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.669 -7.219 3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.976 -8.780 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.430 -8.142 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.863 -8.806 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.770 -10.722 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.254 -10.080 2.747 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.646 -10.281 5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.433 -12.518 3.287 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.866 -13.951 4.151 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.918 -12.128 6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.449 -13.730 5.936 1.00 0.00 H new ATOM 600 N SER A 40 -6.114 -9.303 0.042 1.00 0.00 N ATOM 601 CA SER A 40 -5.926 -10.499 -0.786 1.00 0.00 C ATOM 602 C SER A 40 -5.003 -10.227 -1.970 1.00 0.00 C ATOM 603 O SER A 40 -4.199 -11.077 -2.346 1.00 0.00 O ATOM 604 CB SER A 40 -7.270 -11.024 -1.292 1.00 0.00 C ATOM 605 OG SER A 40 -8.112 -11.387 -0.210 1.00 0.00 O ATOM 0 H SER A 40 -7.046 -8.893 -0.014 1.00 0.00 H new ATOM 0 HA SER A 40 -5.458 -11.255 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.758 -10.261 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.108 -11.887 -1.937 1.00 0.00 H new ATOM 0 HG SER A 40 -8.529 -10.583 0.164 1.00 0.00 H new ATOM 611 N LEU A 41 -5.126 -9.045 -2.550 1.00 0.00 N ATOM 612 CA LEU A 41 -4.302 -8.643 -3.680 1.00 0.00 C ATOM 613 C LEU A 41 -2.849 -8.531 -3.259 1.00 0.00 C ATOM 614 O LEU A 41 -1.948 -8.960 -3.975 1.00 0.00 O ATOM 615 CB LEU A 41 -4.840 -7.318 -4.220 1.00 0.00 C ATOM 616 CG LEU A 41 -4.425 -6.926 -5.639 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.327 -5.886 -5.600 1.00 0.00 C ATOM 618 CD2 LEU A 41 -3.988 -8.143 -6.445 1.00 0.00 C ATOM 0 H LEU A 41 -5.798 -8.338 -2.252 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.347 -9.392 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.929 -7.355 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.525 -6.524 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.294 -6.495 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.043 -5.618 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.685 -4.999 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.461 -6.291 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.699 -7.830 -7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.138 -8.618 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.813 -8.852 -6.509 1.00 0.00 H new ATOM 630 N PHE A 42 -2.625 -7.997 -2.078 1.00 0.00 N ATOM 631 CA PHE A 42 -1.281 -7.917 -1.548 1.00 0.00 C ATOM 632 C PHE A 42 -0.847 -9.269 -1.004 1.00 0.00 C ATOM 633 O PHE A 42 0.340 -9.576 -0.948 1.00 0.00 O ATOM 634 CB PHE A 42 -1.188 -6.808 -0.501 1.00 0.00 C ATOM 635 CG PHE A 42 -1.183 -5.450 -1.138 1.00 0.00 C ATOM 636 CD1 PHE A 42 -0.043 -4.654 -1.110 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.305 -4.983 -1.806 1.00 0.00 C ATOM 638 CE1 PHE A 42 -0.034 -3.425 -1.736 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.294 -3.756 -2.425 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.158 -2.985 -2.390 1.00 0.00 C ATOM 0 H PHE A 42 -3.350 -7.614 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.590 -7.658 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.029 -6.885 0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.280 -6.938 0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.841 -5.000 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.197 -5.590 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.854 -2.811 -1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.175 -3.399 -2.937 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.149 -2.023 -2.882 1.00 0.00 H new ATOM 650 N SER A 43 -1.817 -10.088 -0.638 1.00 0.00 N ATOM 651 CA SER A 43 -1.549 -11.461 -0.248 1.00 0.00 C ATOM 652 C SER A 43 -1.179 -12.282 -1.484 1.00 0.00 C ATOM 653 O SER A 43 -0.575 -13.346 -1.384 1.00 0.00 O ATOM 654 CB SER A 43 -2.766 -12.053 0.454 1.00 0.00 C ATOM 655 OG SER A 43 -2.526 -13.376 0.904 1.00 0.00 O ATOM 0 H SER A 43 -2.802 -9.825 -0.603 1.00 0.00 H new ATOM 0 HA SER A 43 -0.711 -11.484 0.449 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.037 -11.425 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.616 -12.050 -0.229 1.00 0.00 H new ATOM 0 HG SER A 43 -3.328 -13.720 1.350 1.00 0.00 H new ATOM 661 N SER A 44 -1.541 -11.766 -2.653 1.00 0.00 N ATOM 662 CA SER A 44 -1.179 -12.388 -3.912 1.00 0.00 C ATOM 663 C SER A 44 0.314 -12.191 -4.180 1.00 0.00 C ATOM 664 O SER A 44 0.951 -12.998 -4.858 1.00 0.00 O ATOM 665 CB SER A 44 -2.053 -11.831 -5.046 1.00 0.00 C ATOM 666 OG SER A 44 -1.553 -12.185 -6.325 1.00 0.00 O ATOM 0 H SER A 44 -2.089 -10.911 -2.750 1.00 0.00 H new ATOM 0 HA SER A 44 -1.363 -13.461 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.070 -12.207 -4.938 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.104 -10.745 -4.964 1.00 0.00 H new ATOM 0 HG SER A 44 -2.137 -11.814 -7.019 1.00 0.00 H new ATOM 672 N ILE A 45 0.864 -11.112 -3.631 1.00 0.00 N ATOM 673 CA ILE A 45 2.309 -10.914 -3.612 1.00 0.00 C ATOM 674 C ILE A 45 2.959 -11.909 -2.662 1.00 0.00 C ATOM 675 O ILE A 45 3.914 -12.597 -3.020 1.00 0.00 O ATOM 676 CB ILE A 45 2.675 -9.469 -3.190 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.414 -8.515 -4.346 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.133 -9.362 -2.738 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.493 -8.548 -5.387 1.00 0.00 C ATOM 0 H ILE A 45 0.330 -10.361 -3.193 1.00 0.00 H new ATOM 0 HA ILE A 45 2.683 -11.078 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 45 2.047 -9.197 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.461 -8.768 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.321 -7.500 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.350 -8.333 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.299 -10.020 -1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.790 -9.656 -3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.250 -7.847 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.444 -8.267 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.570 -9.554 -5.799 1.00 0.00 H new ATOM 691 N GLY A 46 2.405 -12.018 -1.468 1.00 0.00 N ATOM 692 CA GLY A 46 2.989 -12.873 -0.461 1.00 0.00 C ATOM 693 C GLY A 46 2.260 -12.776 0.857 1.00 0.00 C ATOM 694 O GLY A 46 1.041 -12.607 0.888 1.00 0.00 O ATOM 0 H GLY A 46 1.559 -11.528 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.973 -13.906 -0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.035 -12.602 -0.317 1.00 0.00 H new ATOM 698 N GLU A 47 3.001 -12.866 1.947 1.00 0.00 N ATOM 699 CA GLU A 47 2.406 -12.851 3.267 1.00 0.00 C ATOM 700 C GLU A 47 2.179 -11.442 3.775 1.00 0.00 C ATOM 701 O GLU A 47 3.120 -10.675 4.006 1.00 0.00 O ATOM 702 CB GLU A 47 3.269 -13.630 4.254 1.00 0.00 C ATOM 703 CG GLU A 47 2.756 -15.023 4.540 1.00 0.00 C ATOM 704 CD GLU A 47 3.731 -15.847 5.352 1.00 0.00 C ATOM 705 OE1 GLU A 47 3.537 -15.967 6.582 1.00 0.00 O ATOM 706 OE2 GLU A 47 4.693 -16.387 4.766 1.00 0.00 O1- ATOM 0 H GLU A 47 4.017 -12.950 1.942 1.00 0.00 H new ATOM 0 HA GLU A 47 1.432 -13.333 3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.283 -13.699 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.327 -13.074 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.809 -14.955 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.553 -15.532 3.598 1.00 0.00 H new ATOM 713 N VAL A 48 0.916 -11.120 3.954 1.00 0.00 N ATOM 714 CA VAL A 48 0.519 -9.847 4.513 1.00 0.00 C ATOM 715 C VAL A 48 0.329 -9.978 5.997 1.00 0.00 C ATOM 716 O VAL A 48 -0.405 -10.840 6.480 1.00 0.00 O ATOM 717 CB VAL A 48 -0.766 -9.318 3.852 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.214 -8.012 4.491 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.536 -9.156 2.365 1.00 0.00 C ATOM 0 H VAL A 48 0.136 -11.733 3.716 1.00 0.00 H new ATOM 0 HA VAL A 48 1.312 -9.126 4.314 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.569 -10.039 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.124 -7.662 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.409 -8.174 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.430 -7.263 4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.445 -8.781 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.277 -8.449 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.274 -10.120 1.930 1.00 0.00 H new ATOM 729 N GLU A 49 1.027 -9.125 6.708 1.00 0.00 N ATOM 730 CA GLU A 49 1.021 -9.138 8.136 1.00 0.00 C ATOM 731 C GLU A 49 -0.264 -8.501 8.659 1.00 0.00 C ATOM 732 O GLU A 49 -0.880 -9.000 9.600 1.00 0.00 O ATOM 733 CB GLU A 49 2.243 -8.410 8.651 1.00 0.00 C ATOM 734 CG GLU A 49 2.353 -8.470 10.153 1.00 0.00 C ATOM 735 CD GLU A 49 3.635 -7.874 10.680 1.00 0.00 C ATOM 736 OE1 GLU A 49 4.701 -8.506 10.526 1.00 0.00 O ATOM 737 OE2 GLU A 49 3.584 -6.768 11.252 1.00 0.00 O1- ATOM 0 H GLU A 49 1.617 -8.400 6.300 1.00 0.00 H new ATOM 0 HA GLU A 49 1.055 -10.167 8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.137 -8.846 8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.204 -7.368 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.507 -7.943 10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.284 -9.509 10.475 1.00 0.00 H new ATOM 744 N SER A 50 -0.663 -7.395 8.038 1.00 0.00 N ATOM 745 CA SER A 50 -1.936 -6.754 8.362 1.00 0.00 C ATOM 746 C SER A 50 -2.321 -5.748 7.283 1.00 0.00 C ATOM 747 O SER A 50 -1.520 -4.891 6.921 1.00 0.00 O ATOM 748 CB SER A 50 -1.846 -6.061 9.723 1.00 0.00 C ATOM 749 OG SER A 50 -0.734 -5.183 9.775 1.00 0.00 O ATOM 0 H SER A 50 -0.126 -6.924 7.310 1.00 0.00 H new ATOM 0 HA SER A 50 -2.708 -7.522 8.407 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.763 -5.503 9.912 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.760 -6.809 10.511 1.00 0.00 H new ATOM 0 HG SER A 50 -0.541 -4.845 8.875 1.00 0.00 H new ATOM 755 N ALA A 51 -3.541 -5.845 6.771 1.00 0.00 N ATOM 756 CA ALA A 51 -3.996 -4.911 5.756 1.00 0.00 C ATOM 757 C ALA A 51 -5.229 -4.157 6.214 1.00 0.00 C ATOM 758 O ALA A 51 -6.271 -4.746 6.505 1.00 0.00 O ATOM 759 CB ALA A 51 -4.249 -5.608 4.430 1.00 0.00 C ATOM 0 H ALA A 51 -4.224 -6.553 7.039 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.197 -4.186 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.588 -4.879 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.327 -6.073 4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.014 -6.373 4.561 1.00 0.00 H new ATOM 765 N LYS A 52 -5.093 -2.848 6.276 1.00 0.00 N ATOM 766 CA LYS A 52 -6.138 -1.977 6.756 1.00 0.00 C ATOM 767 C LYS A 52 -6.744 -1.196 5.598 1.00 0.00 C ATOM 768 O LYS A 52 -6.024 -0.657 4.760 1.00 0.00 O ATOM 769 CB LYS A 52 -5.543 -1.012 7.776 1.00 0.00 C ATOM 770 CG LYS A 52 -6.536 -0.036 8.370 1.00 0.00 C ATOM 771 CD LYS A 52 -5.817 1.191 8.889 1.00 0.00 C ATOM 772 CE LYS A 52 -4.988 0.888 10.123 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.832 0.499 11.283 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.245 -2.358 5.991 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.924 -2.572 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.092 -1.589 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.740 -0.449 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.267 0.254 7.616 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.086 -0.514 9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.170 1.589 8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.547 1.966 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.287 0.084 9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.395 1.764 10.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.267 0.548 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.641 1.148 11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.179 -0.472 11.150 1.00 0.00 H new ATOM 787 N LEU A 53 -8.061 -1.140 5.560 1.00 0.00 N ATOM 788 CA LEU A 53 -8.770 -0.372 4.556 1.00 0.00 C ATOM 789 C LEU A 53 -9.396 0.841 5.211 1.00 0.00 C ATOM 790 O LEU A 53 -9.922 0.749 6.321 1.00 0.00 O ATOM 791 CB LEU A 53 -9.854 -1.219 3.900 1.00 0.00 C ATOM 792 CG LEU A 53 -10.799 -0.460 2.975 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.398 -0.667 1.530 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.234 -0.909 3.199 1.00 0.00 C ATOM 0 H LEU A 53 -8.668 -1.624 6.222 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.066 -0.057 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.375 -2.016 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.443 -1.697 4.683 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.731 0.603 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.081 -0.119 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.382 -0.302 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.441 -1.729 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.896 -0.358 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.318 -1.976 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.519 -0.715 4.233 1.00 0.00 H new ATOM 806 N ILE A 54 -9.335 1.970 4.542 1.00 0.00 N ATOM 807 CA ILE A 54 -9.841 3.202 5.106 1.00 0.00 C ATOM 808 C ILE A 54 -11.120 3.632 4.409 1.00 0.00 C ATOM 809 O ILE A 54 -11.136 3.843 3.194 1.00 0.00 O ATOM 810 CB ILE A 54 -8.815 4.334 4.973 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.429 3.880 5.447 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.280 5.556 5.750 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.390 3.383 6.875 1.00 0.00 C ATOM 0 H ILE A 54 -8.940 2.061 3.606 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.040 3.011 6.160 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.733 4.602 3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.075 3.086 4.789 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.733 4.712 5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.544 6.353 5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.238 5.895 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.391 5.297 6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.373 3.082 7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.711 4.180 7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.058 2.528 6.981 1.00 0.00 H new ATOM 934 N SER A 62 -14.933 3.648 0.921 1.00 0.00 N ATOM 935 CA SER A 62 -13.486 3.636 0.977 1.00 0.00 C ATOM 936 C SER A 62 -12.931 4.933 0.411 1.00 0.00 C ATOM 937 O SER A 62 -13.328 5.374 -0.666 1.00 0.00 O ATOM 938 CB SER A 62 -12.956 2.431 0.204 1.00 0.00 C ATOM 939 OG SER A 62 -13.662 1.260 0.573 1.00 0.00 O ATOM 0 HA SER A 62 -13.162 3.554 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.059 2.604 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.893 2.301 0.405 1.00 0.00 H new ATOM 0 HG SER A 62 -14.546 1.506 0.916 1.00 0.00 H new ATOM 945 N LEU A 63 -12.018 5.544 1.149 1.00 0.00 N ATOM 946 CA LEU A 63 -11.498 6.857 0.792 1.00 0.00 C ATOM 947 C LEU A 63 -10.369 6.746 -0.223 1.00 0.00 C ATOM 948 O LEU A 63 -9.674 7.720 -0.506 1.00 0.00 O ATOM 949 CB LEU A 63 -11.027 7.589 2.048 1.00 0.00 C ATOM 950 CG LEU A 63 -12.116 7.819 3.096 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.565 8.571 4.295 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.291 8.569 2.490 1.00 0.00 C ATOM 0 H LEU A 63 -11.620 5.151 2.002 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.301 7.431 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.218 7.018 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.612 8.554 1.756 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.467 6.845 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.359 8.722 5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.760 7.993 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.180 9.538 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.056 8.723 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.952 9.535 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.709 7.988 1.668 1.00 0.00 H new ATOM 964 N GLY A 64 -10.194 5.550 -0.761 1.00 0.00 N ATOM 965 CA GLY A 64 -9.244 5.349 -1.831 1.00 0.00 C ATOM 966 C GLY A 64 -7.830 5.145 -1.347 1.00 0.00 C ATOM 967 O GLY A 64 -6.886 5.408 -2.083 1.00 0.00 O ATOM 0 H GLY A 64 -10.697 4.711 -0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.548 4.482 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.271 6.211 -2.498 1.00 0.00 H new ATOM 971 N TYR A 65 -7.668 4.679 -0.119 1.00 0.00 N ATOM 972 CA TYR A 65 -6.341 4.378 0.392 1.00 0.00 C ATOM 973 C TYR A 65 -6.418 3.435 1.585 1.00 0.00 C ATOM 974 O TYR A 65 -7.467 3.301 2.217 1.00 0.00 O ATOM 975 CB TYR A 65 -5.581 5.664 0.757 1.00 0.00 C ATOM 976 CG TYR A 65 -5.995 6.307 2.054 1.00 0.00 C ATOM 977 CD1 TYR A 65 -7.193 6.993 2.164 1.00 0.00 C ATOM 978 CD2 TYR A 65 -5.165 6.242 3.161 1.00 0.00 C ATOM 979 CE1 TYR A 65 -7.554 7.597 3.347 1.00 0.00 C ATOM 980 CE2 TYR A 65 -5.520 6.840 4.349 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.717 7.517 4.441 1.00 0.00 C ATOM 982 OH TYR A 65 -7.079 8.116 5.629 1.00 0.00 O ATOM 0 H TYR A 65 -8.430 4.503 0.536 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.786 3.876 -0.400 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.516 5.436 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.715 6.387 -0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.852 7.055 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.225 5.714 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.490 8.132 3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.864 6.779 5.205 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.379 7.965 6.298 1.00 0.00 H new ATOM 992 N GLY A 66 -5.306 2.774 1.866 1.00 0.00 N ATOM 993 CA GLY A 66 -5.235 1.846 2.972 1.00 0.00 C ATOM 994 C GLY A 66 -3.802 1.534 3.351 1.00 0.00 C ATOM 995 O GLY A 66 -2.870 2.097 2.771 1.00 0.00 O ATOM 0 H GLY A 66 -4.439 2.867 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.756 2.265 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.750 0.923 2.706 1.00 0.00 H new ATOM 999 N PHE A 67 -3.624 0.634 4.307 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.298 0.327 4.832 1.00 0.00 C ATOM 1001 C PHE A 67 -2.120 -1.178 5.010 1.00 0.00 C ATOM 1002 O PHE A 67 -2.699 -1.771 5.916 1.00 0.00 O ATOM 1003 CB PHE A 67 -2.097 1.022 6.187 1.00 0.00 C ATOM 1004 CG PHE A 67 -2.198 2.523 6.132 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -1.092 3.295 5.818 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -3.399 3.158 6.401 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -1.184 4.673 5.773 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.498 4.535 6.355 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.387 5.294 6.042 1.00 0.00 C ATOM 0 H PHE A 67 -4.381 0.102 4.737 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.558 0.689 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.840 0.645 6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.118 0.749 6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.148 2.815 5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.269 2.569 6.650 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.314 5.264 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.442 5.017 6.563 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.460 6.371 6.008 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.313 -1.789 4.157 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.012 -3.203 4.279 1.00 0.00 C ATOM 1021 C VAL A 68 0.454 -3.421 4.634 1.00 0.00 C ATOM 1022 O VAL A 68 1.360 -3.071 3.885 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.431 -3.999 3.010 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.664 -3.073 1.836 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.429 -5.094 2.639 1.00 0.00 C ATOM 0 H VAL A 68 -0.855 -1.325 3.372 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.610 -3.597 5.101 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.369 -4.496 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.956 -3.658 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.457 -2.367 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.747 -2.526 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.774 -5.616 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.545 -4.645 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.343 -5.803 3.463 1.00 0.00 H new ATOM 1035 N ASN A 69 0.666 -3.952 5.820 1.00 0.00 N ATOM 1036 CA ASN A 69 1.992 -4.278 6.303 1.00 0.00 C ATOM 1037 C ASN A 69 2.337 -5.694 5.890 1.00 0.00 C ATOM 1038 O ASN A 69 1.557 -6.612 6.124 1.00 0.00 O ATOM 1039 CB ASN A 69 2.035 -4.169 7.829 1.00 0.00 C ATOM 1040 CG ASN A 69 3.447 -4.082 8.380 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.036 -3.005 8.447 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.994 -5.207 8.804 1.00 0.00 N ATOM 0 H ASN A 69 -0.081 -4.171 6.480 1.00 0.00 H new ATOM 0 HA ASN A 69 2.713 -3.581 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.475 -3.287 8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.534 -5.034 8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.933 -5.199 9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.477 -6.084 8.734 1.00 0.00 H new ATOM 1049 N TYR A 70 3.476 -5.870 5.257 1.00 0.00 N ATOM 1050 CA TYR A 70 3.933 -7.191 4.881 1.00 0.00 C ATOM 1051 C TYR A 70 4.760 -7.811 5.987 1.00 0.00 C ATOM 1052 O TYR A 70 5.220 -7.122 6.898 1.00 0.00 O ATOM 1053 CB TYR A 70 4.769 -7.122 3.606 1.00 0.00 C ATOM 1054 CG TYR A 70 3.972 -7.168 2.331 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.767 -6.028 1.569 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.437 -8.364 1.886 1.00 0.00 C ATOM 1057 CE1 TYR A 70 3.046 -6.086 0.398 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.716 -8.428 0.716 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.525 -7.286 -0.024 1.00 0.00 C ATOM 1060 OH TYR A 70 1.815 -7.347 -1.196 1.00 0.00 O ATOM 0 H TYR A 70 4.105 -5.112 4.991 1.00 0.00 H new ATOM 0 HA TYR A 70 3.053 -7.811 4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.354 -6.202 3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.477 -7.951 3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.177 -5.085 1.898 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.588 -9.262 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.890 -5.192 -0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.303 -9.368 0.382 1.00 0.00 H new ATOM 0 HH TYR A 70 1.342 -6.500 -1.336 1.00 0.00 H new ATOM 1070 N VAL A 71 4.935 -9.122 5.907 1.00 0.00 N ATOM 1071 CA VAL A 71 5.786 -9.835 6.844 1.00 0.00 C ATOM 1072 C VAL A 71 7.252 -9.576 6.498 1.00 0.00 C ATOM 1073 O VAL A 71 8.148 -9.777 7.315 1.00 0.00 O ATOM 1074 CB VAL A 71 5.504 -11.354 6.824 1.00 0.00 C ATOM 1075 CG1 VAL A 71 4.031 -11.620 7.103 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.927 -11.972 5.497 1.00 0.00 C ATOM 0 H VAL A 71 4.497 -9.713 5.201 1.00 0.00 H new ATOM 0 HA VAL A 71 5.569 -9.469 7.847 1.00 0.00 H new ATOM 0 HB VAL A 71 6.095 -11.823 7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.846 -12.694 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.769 -11.222 8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.423 -11.135 6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.717 -13.042 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.372 -11.504 4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.995 -11.814 5.346 1.00 0.00 H new ATOM 1086 N THR A 72 7.467 -9.124 5.268 1.00 0.00 N ATOM 1087 CA THR A 72 8.785 -8.774 4.770 1.00 0.00 C ATOM 1088 C THR A 72 8.790 -7.349 4.245 1.00 0.00 C ATOM 1089 O THR A 72 7.741 -6.778 3.955 1.00 0.00 O ATOM 1090 CB THR A 72 9.193 -9.680 3.596 1.00 0.00 C ATOM 1091 OG1 THR A 72 8.089 -9.817 2.697 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.665 -11.043 4.054 1.00 0.00 C ATOM 0 H THR A 72 6.722 -8.990 4.584 1.00 0.00 H new ATOM 0 HA THR A 72 9.479 -8.892 5.602 1.00 0.00 H new ATOM 0 HB THR A 72 10.034 -9.208 3.089 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.186 -10.646 2.184 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.941 -11.643 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.531 -10.928 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.864 -11.541 4.600 1.00 0.00 H new ATOM 1100 N ALA A 73 9.970 -6.777 4.122 1.00 0.00 N ATOM 1101 CA ALA A 73 10.133 -5.552 3.362 1.00 0.00 C ATOM 1102 C ALA A 73 10.444 -5.930 1.922 1.00 0.00 C ATOM 1103 O ALA A 73 10.384 -5.111 1.005 1.00 0.00 O ATOM 1104 CB ALA A 73 11.233 -4.689 3.952 1.00 0.00 C ATOM 0 H ALA A 73 10.829 -7.138 4.537 1.00 0.00 H new ATOM 0 HA ALA A 73 9.216 -4.964 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.335 -3.777 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.981 -4.431 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.174 -5.238 3.936 1.00 0.00 H new ATOM 1110 N LYS A 74 10.771 -7.206 1.760 1.00 0.00 N ATOM 1111 CA LYS A 74 11.024 -7.812 0.464 1.00 0.00 C ATOM 1112 C LYS A 74 9.756 -7.836 -0.395 1.00 0.00 C ATOM 1113 O LYS A 74 9.753 -7.344 -1.523 1.00 0.00 O ATOM 1114 CB LYS A 74 11.573 -9.221 0.698 1.00 0.00 C ATOM 1115 CG LYS A 74 11.569 -10.102 -0.525 1.00 0.00 C ATOM 1116 CD LYS A 74 10.605 -11.254 -0.339 1.00 0.00 C ATOM 1117 CE LYS A 74 10.185 -11.812 -1.675 1.00 0.00 C ATOM 1118 NZ LYS A 74 9.156 -12.876 -1.533 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.869 -7.857 2.539 1.00 0.00 H new ATOM 0 HA LYS A 74 11.756 -7.221 -0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.594 -9.143 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.984 -9.702 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.285 -9.519 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.573 -10.485 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.075 -12.036 0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.728 -10.916 0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.792 -11.008 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.057 -12.216 -2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.240 -13.548 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.299 -13.379 -0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.209 -12.447 -1.543 1.00 0.00 H new ATOM 1132 N ASP A 75 8.676 -8.386 0.148 1.00 0.00 N ATOM 1133 CA ASP A 75 7.409 -8.448 -0.575 1.00 0.00 C ATOM 1134 C ASP A 75 6.748 -7.077 -0.625 1.00 0.00 C ATOM 1135 O ASP A 75 5.847 -6.845 -1.425 1.00 0.00 O ATOM 1136 CB ASP A 75 6.471 -9.489 0.045 1.00 0.00 C ATOM 1137 CG ASP A 75 6.969 -10.907 -0.169 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.904 -11.405 -1.314 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.452 -11.529 0.801 1.00 0.00 O1- ATOM 0 H ASP A 75 8.651 -8.794 1.082 1.00 0.00 H new ATOM 0 HA ASP A 75 7.620 -8.759 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.373 -9.297 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.477 -9.385 -0.390 1.00 0.00 H new ATOM 1144 N ALA A 76 7.204 -6.166 0.227 1.00 0.00 N ATOM 1145 CA ALA A 76 6.748 -4.779 0.181 1.00 0.00 C ATOM 1146 C ALA A 76 7.128 -4.148 -1.154 1.00 0.00 C ATOM 1147 O ALA A 76 6.271 -3.680 -1.899 1.00 0.00 O ATOM 1148 CB ALA A 76 7.344 -3.984 1.335 1.00 0.00 C ATOM 0 H ALA A 76 7.888 -6.361 0.958 1.00 0.00 H new ATOM 0 HA ALA A 76 5.663 -4.764 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.994 -2.953 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.034 -4.428 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.432 -4.002 1.266 1.00 0.00 H new ATOM 1154 N GLU A 77 8.422 -4.159 -1.454 1.00 0.00 N ATOM 1155 CA GLU A 77 8.918 -3.697 -2.744 1.00 0.00 C ATOM 1156 C GLU A 77 8.286 -4.510 -3.866 1.00 0.00 C ATOM 1157 O GLU A 77 7.999 -3.989 -4.943 1.00 0.00 O ATOM 1158 CB GLU A 77 10.442 -3.835 -2.780 1.00 0.00 C ATOM 1159 CG GLU A 77 11.048 -3.596 -4.150 1.00 0.00 C ATOM 1160 CD GLU A 77 12.542 -3.829 -4.173 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.281 -3.050 -3.533 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.985 -4.791 -4.834 1.00 0.00 O1- ATOM 0 H GLU A 77 9.149 -4.485 -0.817 1.00 0.00 H new ATOM 0 HA GLU A 77 8.651 -2.650 -2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.878 -3.130 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.715 -4.835 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.570 -4.255 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.839 -2.573 -4.463 1.00 0.00 H new ATOM 1169 N ARG A 78 8.031 -5.778 -3.578 1.00 0.00 N ATOM 1170 CA ARG A 78 7.461 -6.690 -4.542 1.00 0.00 C ATOM 1171 C ARG A 78 6.051 -6.240 -4.893 1.00 0.00 C ATOM 1172 O ARG A 78 5.633 -6.309 -6.045 1.00 0.00 O ATOM 1173 CB ARG A 78 7.465 -8.092 -3.946 1.00 0.00 C ATOM 1174 CG ARG A 78 7.150 -9.206 -4.919 1.00 0.00 C ATOM 1175 CD ARG A 78 7.314 -10.554 -4.245 1.00 0.00 C ATOM 1176 NE ARG A 78 7.028 -11.668 -5.137 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.748 -12.895 -4.713 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.636 -13.142 -3.411 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.553 -13.871 -5.588 1.00 0.00 N ATOM 0 H ARG A 78 8.216 -6.198 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 78 8.048 -6.698 -5.460 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.445 -8.280 -3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.740 -8.126 -3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.130 -9.098 -5.288 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.811 -9.141 -5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.334 -10.646 -3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.651 -10.606 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 78 7.043 -11.497 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.765 -12.388 -2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.421 -14.085 -3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.618 -13.680 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.338 -14.813 -5.262 1.00 0.00 H new ATOM 1193 N ALA A 79 5.328 -5.742 -3.899 1.00 0.00 N ATOM 1194 CA ALA A 79 3.990 -5.227 -4.124 1.00 0.00 C ATOM 1195 C ALA A 79 4.041 -3.907 -4.871 1.00 0.00 C ATOM 1196 O ALA A 79 3.177 -3.616 -5.687 1.00 0.00 O ATOM 1197 CB ALA A 79 3.230 -5.070 -2.812 1.00 0.00 C ATOM 0 H ALA A 79 5.647 -5.685 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 79 3.454 -5.951 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.231 -4.682 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.150 -6.039 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.764 -4.376 -2.163 1.00 0.00 H new ATOM 1203 N ILE A 80 5.054 -3.106 -4.602 1.00 0.00 N ATOM 1204 CA ILE A 80 5.185 -1.824 -5.277 1.00 0.00 C ATOM 1205 C ILE A 80 5.547 -1.975 -6.747 1.00 0.00 C ATOM 1206 O ILE A 80 5.098 -1.203 -7.580 1.00 0.00 O ATOM 1207 CB ILE A 80 6.224 -0.942 -4.598 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.941 -0.858 -3.106 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.211 0.443 -5.213 1.00 0.00 C ATOM 1210 CD1 ILE A 80 6.973 -0.075 -2.349 1.00 0.00 C ATOM 0 H ILE A 80 5.792 -3.314 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 80 4.205 -1.351 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 80 7.211 -1.381 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.964 -0.400 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.887 -1.867 -2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.957 1.067 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.442 0.371 -6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.225 0.889 -5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.710 -0.054 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.949 -0.545 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.011 0.944 -2.733 1.00 0.00 H new ATOM 1222 N ASN A 81 6.355 -2.951 -7.086 1.00 0.00 N ATOM 1223 CA ASN A 81 6.736 -3.100 -8.474 1.00 0.00 C ATOM 1224 C ASN A 81 5.727 -3.942 -9.230 1.00 0.00 C ATOM 1225 O ASN A 81 5.578 -3.819 -10.445 1.00 0.00 O ATOM 1226 CB ASN A 81 8.144 -3.676 -8.605 1.00 0.00 C ATOM 1227 CG ASN A 81 8.381 -4.982 -7.869 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.559 -5.897 -7.881 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.524 -5.064 -7.207 1.00 0.00 N ATOM 0 H ASN A 81 6.753 -3.636 -6.444 1.00 0.00 H new ATOM 0 HA ASN A 81 6.744 -2.107 -8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.359 -3.830 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.857 -2.937 -8.239 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.750 -5.909 -6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.179 -4.283 -7.222 1.00 0.00 H new ATOM 1236 N THR A 82 5.042 -4.797 -8.505 1.00 0.00 N ATOM 1237 CA THR A 82 4.044 -5.657 -9.093 1.00 0.00 C ATOM 1238 C THR A 82 2.637 -5.040 -9.043 1.00 0.00 C ATOM 1239 O THR A 82 2.011 -4.804 -10.078 1.00 0.00 O ATOM 1240 CB THR A 82 4.052 -7.017 -8.382 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.252 -7.735 -8.704 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.823 -7.852 -8.718 1.00 0.00 C ATOM 0 H THR A 82 5.160 -4.915 -7.499 1.00 0.00 H new ATOM 0 HA THR A 82 4.298 -5.787 -10.145 1.00 0.00 H new ATOM 0 HB THR A 82 4.023 -6.825 -7.309 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.032 -7.200 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.875 -8.805 -8.191 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.924 -7.316 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.789 -8.033 -9.792 1.00 0.00 H new ATOM 1250 N LEU A 83 2.162 -4.771 -7.829 1.00 0.00 N ATOM 1251 CA LEU A 83 0.768 -4.394 -7.594 1.00 0.00 C ATOM 1252 C LEU A 83 0.496 -2.913 -7.825 1.00 0.00 C ATOM 1253 O LEU A 83 -0.650 -2.519 -8.024 1.00 0.00 O ATOM 1254 CB LEU A 83 0.381 -4.741 -6.162 1.00 0.00 C ATOM 1255 CG LEU A 83 0.349 -6.233 -5.822 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.169 -6.443 -4.414 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.489 -7.022 -6.810 1.00 0.00 C ATOM 0 H LEU A 83 2.730 -4.808 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 83 0.171 -4.953 -8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.082 -4.249 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.604 -4.321 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 83 1.372 -6.603 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.186 -7.509 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.484 -5.932 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.178 -6.039 -4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.484 -8.076 -6.531 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.513 -6.648 -6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.073 -6.910 -7.811 1.00 0.00 H new ATOM 1269 N ASN A 84 1.519 -2.082 -7.756 1.00 0.00 N ATOM 1270 CA ASN A 84 1.331 -0.659 -7.986 1.00 0.00 C ATOM 1271 C ASN A 84 0.889 -0.415 -9.430 1.00 0.00 C ATOM 1272 O ASN A 84 1.648 -0.641 -10.371 1.00 0.00 O ATOM 1273 CB ASN A 84 2.628 0.078 -7.664 1.00 0.00 C ATOM 1274 CG ASN A 84 2.511 1.585 -7.689 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.663 2.162 -8.372 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.380 2.235 -6.934 1.00 0.00 N ATOM 0 H ASN A 84 2.477 -2.361 -7.546 1.00 0.00 H new ATOM 0 HA ASN A 84 0.547 -0.277 -7.333 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.972 -0.231 -6.677 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.392 -0.227 -8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.365 3.254 -6.901 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.065 1.717 -6.384 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.356 0.023 -9.586 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.947 0.204 -10.902 1.00 0.00 C ATOM 1285 C GLY A 85 -1.637 -1.054 -11.382 1.00 0.00 C ATOM 1286 O GLY A 85 -1.796 -1.271 -12.583 1.00 0.00 O ATOM 0 H GLY A 85 -0.976 0.260 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.665 1.023 -10.869 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.172 0.488 -11.613 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.041 -1.886 -10.440 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.725 -3.127 -10.751 1.00 0.00 C ATOM 1292 C LEU A 86 -4.223 -2.947 -10.529 1.00 0.00 C ATOM 1293 O LEU A 86 -4.647 -2.226 -9.624 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.127 -4.256 -9.901 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.605 -5.690 -10.151 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.022 -5.907 -11.595 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.487 -6.642 -9.835 1.00 0.00 C ATOM 0 H LEU A 86 -1.905 -1.722 -9.443 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.586 -3.399 -11.797 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.046 -4.238 -10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.319 -4.020 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.470 -5.866 -9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.354 -6.937 -11.727 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.838 -5.228 -11.844 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.174 -5.712 -12.252 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.820 -7.665 -10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.632 -6.424 -10.474 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.197 -6.529 -8.790 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.007 -3.582 -11.381 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.443 -3.371 -11.422 1.00 0.00 C ATOM 1311 C ARG A 87 -7.155 -4.136 -10.312 1.00 0.00 C ATOM 1312 O ARG A 87 -7.255 -5.364 -10.349 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.989 -3.786 -12.786 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.236 -3.146 -13.934 1.00 0.00 C ATOM 1315 CD ARG A 87 -6.582 -1.678 -14.110 1.00 0.00 C ATOM 1316 NE ARG A 87 -5.729 -1.050 -15.119 1.00 0.00 N ATOM 1317 CZ ARG A 87 -6.011 0.098 -15.731 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -7.139 0.739 -15.465 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -5.158 0.603 -16.616 1.00 0.00 N ATOM 0 H ARG A 87 -4.666 -4.259 -12.064 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.633 -2.309 -11.264 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.935 -4.871 -12.880 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.042 -3.513 -12.850 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.164 -3.245 -13.761 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.461 -3.682 -14.856 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.628 -1.581 -14.403 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.467 -1.158 -13.159 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.861 -1.523 -15.370 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.797 0.353 -14.788 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.349 1.618 -15.937 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.289 0.111 -16.825 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.372 1.483 -17.086 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.630 -3.400 -9.326 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.399 -3.955 -8.236 1.00 0.00 C ATOM 1335 C LEU A 88 -9.845 -3.524 -8.349 1.00 0.00 C ATOM 1336 O LEU A 88 -10.141 -2.339 -8.258 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.829 -3.487 -6.907 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.061 -4.551 -6.147 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.402 -3.954 -4.923 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.005 -5.671 -5.751 1.00 0.00 C ATOM 0 H LEU A 88 -7.490 -2.392 -9.261 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.345 -5.043 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.169 -2.638 -7.087 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.646 -3.128 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.279 -4.955 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.855 -4.731 -4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.711 -3.168 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.165 -3.532 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.453 -6.436 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.797 -5.272 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.444 -6.110 -6.647 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.736 -4.482 -8.570 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.164 -4.203 -8.706 1.00 0.00 C ATOM 1354 C GLN A 89 -12.422 -3.151 -9.778 1.00 0.00 C ATOM 1355 O GLN A 89 -13.317 -2.315 -9.638 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.746 -3.735 -7.386 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.694 -4.784 -6.289 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.465 -4.376 -5.051 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.505 -3.086 -4.781 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.016 -5.215 -4.342 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.494 -5.469 -8.660 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.651 -5.131 -9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.205 -2.849 -7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.783 -3.436 -7.542 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.097 -5.722 -6.670 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.654 -4.970 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.961 -6.204 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.528 -4.922 -3.510 1.00 0.00 H new ATOM 1369 N SER A 90 -11.592 -3.189 -10.816 1.00 0.00 N ATOM 1370 CA SER A 90 -11.708 -2.296 -11.974 1.00 0.00 C ATOM 1371 C SER A 90 -11.167 -0.901 -11.649 1.00 0.00 C ATOM 1372 O SER A 90 -11.425 0.071 -12.362 1.00 0.00 O ATOM 1373 CB SER A 90 -13.165 -2.226 -12.447 1.00 0.00 C ATOM 1374 OG SER A 90 -13.270 -1.703 -13.760 1.00 0.00 O ATOM 0 H SER A 90 -10.813 -3.844 -10.882 1.00 0.00 H new ATOM 0 HA SER A 90 -11.103 -2.703 -12.784 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.605 -3.223 -12.417 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.740 -1.604 -11.761 1.00 0.00 H new ATOM 0 HG SER A 90 -12.708 -0.904 -13.840 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.403 -0.819 -10.575 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.780 0.427 -10.146 1.00 0.00 C ATOM 1382 C LYS A 91 -8.263 0.245 -10.097 1.00 0.00 C ATOM 1383 O LYS A 91 -7.780 -0.806 -9.686 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.307 0.793 -8.759 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.503 2.267 -8.507 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.184 2.976 -8.495 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.283 4.321 -7.822 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.046 5.110 -7.998 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.194 -1.615 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.019 1.226 -10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.260 0.286 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.615 0.403 -8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.144 2.692 -9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.011 2.415 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.446 2.363 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.831 3.106 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.129 4.873 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.479 4.183 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.959 5.797 -7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.224 4.473 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.083 5.616 -8.906 1.00 0.00 H new ATOM 1402 N THR A 92 -7.515 1.249 -10.515 1.00 0.00 N ATOM 1403 CA THR A 92 -6.062 1.156 -10.505 1.00 0.00 C ATOM 1404 C THR A 92 -5.497 1.752 -9.223 1.00 0.00 C ATOM 1405 O THR A 92 -5.790 2.896 -8.886 1.00 0.00 O ATOM 1406 CB THR A 92 -5.433 1.871 -11.709 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.411 2.024 -12.751 1.00 0.00 O ATOM 1408 CG2 THR A 92 -4.242 1.087 -12.243 1.00 0.00 C ATOM 0 H THR A 92 -7.884 2.134 -10.864 1.00 0.00 H new ATOM 0 HA THR A 92 -5.812 0.097 -10.563 1.00 0.00 H new ATOM 0 HB THR A 92 -5.087 2.852 -11.382 1.00 0.00 H new ATOM 0 HG1 THR A 92 -6.005 2.482 -13.516 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.813 1.613 -13.096 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.490 0.990 -11.460 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.570 0.096 -12.556 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.695 0.963 -8.521 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.161 1.337 -7.218 1.00 0.00 C ATOM 1418 C ILE A 93 -2.712 1.811 -7.312 1.00 0.00 C ATOM 1419 O ILE A 93 -2.071 1.648 -8.347 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.220 0.141 -6.267 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.231 -0.930 -6.726 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.633 -0.416 -6.226 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.335 -2.216 -5.951 1.00 0.00 C ATOM 0 H ILE A 93 -4.395 0.042 -8.840 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.773 2.157 -6.842 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.946 0.461 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.398 -1.138 -7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.217 -0.540 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.669 -1.268 -5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.318 0.356 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.927 -0.736 -7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.604 -2.930 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.139 -2.022 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.338 -2.629 -6.064 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.204 2.416 -6.243 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.794 2.779 -6.174 1.00 0.00 C ATOM 1437 C LYS A 94 -0.255 2.514 -4.775 1.00 0.00 C ATOM 1438 O LYS A 94 -0.669 3.147 -3.806 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.559 4.240 -6.570 1.00 0.00 C ATOM 1440 CG LYS A 94 0.910 4.631 -6.542 1.00 0.00 C ATOM 1441 CD LYS A 94 1.160 5.960 -7.242 1.00 0.00 C ATOM 1442 CE LYS A 94 0.808 5.885 -8.724 1.00 0.00 C ATOM 1443 NZ LYS A 94 1.309 7.059 -9.485 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.746 2.664 -5.415 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.256 2.158 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.956 4.408 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.116 4.889 -5.894 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.248 4.697 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.502 3.852 -7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.568 6.741 -6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.207 6.241 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.229 4.974 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.274 5.818 -8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.045 6.962 -10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.888 7.928 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.345 7.110 -9.403 1.00 0.00 H new ATOM 1457 N VAL A 95 0.665 1.569 -4.684 1.00 0.00 N ATOM 1458 CA VAL A 95 1.185 1.122 -3.402 1.00 0.00 C ATOM 1459 C VAL A 95 2.591 1.690 -3.155 1.00 0.00 C ATOM 1460 O VAL A 95 3.349 1.928 -4.096 1.00 0.00 O ATOM 1461 CB VAL A 95 1.175 -0.426 -3.315 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.372 -1.034 -4.457 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.572 -0.988 -3.271 1.00 0.00 C ATOM 0 H VAL A 95 1.070 1.093 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 95 0.533 1.502 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 95 0.686 -0.698 -2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.382 -2.121 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.656 -0.676 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.815 -0.741 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.525 -2.075 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.109 -0.698 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.094 -0.598 -2.397 1.00 0.00 H new ATOM 1473 N SER A 96 2.916 1.919 -1.890 1.00 0.00 N ATOM 1474 CA SER A 96 4.192 2.494 -1.497 1.00 0.00 C ATOM 1475 C SER A 96 4.464 2.156 -0.044 1.00 0.00 C ATOM 1476 O SER A 96 3.669 1.487 0.593 1.00 0.00 O ATOM 1477 CB SER A 96 4.166 4.014 -1.641 1.00 0.00 C ATOM 1478 OG SER A 96 5.479 4.548 -1.632 1.00 0.00 O ATOM 0 H SER A 96 2.299 1.710 -1.106 1.00 0.00 H new ATOM 0 HA SER A 96 4.969 2.084 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.665 4.286 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.587 4.450 -0.827 1.00 0.00 H new ATOM 0 HG SER A 96 5.675 4.920 -0.747 1.00 0.00 H new ATOM 1484 N TYR A 97 5.571 2.637 0.481 1.00 0.00 N ATOM 1485 CA TYR A 97 5.875 2.467 1.897 1.00 0.00 C ATOM 1486 C TYR A 97 5.137 3.521 2.695 1.00 0.00 C ATOM 1487 O TYR A 97 5.360 4.717 2.510 1.00 0.00 O ATOM 1488 CB TYR A 97 7.367 2.611 2.169 1.00 0.00 C ATOM 1489 CG TYR A 97 8.241 2.034 1.093 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.384 0.663 0.941 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.929 2.869 0.233 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.196 0.141 -0.046 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.737 2.365 -0.756 1.00 0.00 C ATOM 1494 CZ TYR A 97 9.872 0.998 -0.896 1.00 0.00 C ATOM 1495 OH TYR A 97 10.684 0.488 -1.883 1.00 0.00 O ATOM 0 H TYR A 97 6.278 3.149 -0.046 1.00 0.00 H new ATOM 0 HA TYR A 97 5.562 1.465 2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.604 3.668 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.602 2.123 3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.853 -0.005 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 97 8.829 3.939 0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.303 -0.928 -0.154 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.264 3.034 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 97 11.083 1.225 -2.391 1.00 0.00 H new ATOM 1505 N ALA A 98 4.253 3.082 3.568 1.00 0.00 N ATOM 1506 CA ALA A 98 3.569 3.997 4.452 1.00 0.00 C ATOM 1507 C ALA A 98 4.567 4.500 5.483 1.00 0.00 C ATOM 1508 O ALA A 98 5.161 3.698 6.202 1.00 0.00 O ATOM 1509 CB ALA A 98 2.378 3.317 5.111 1.00 0.00 C ATOM 0 H ALA A 98 3.994 2.102 3.682 1.00 0.00 H new ATOM 0 HA ALA A 98 3.177 4.844 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.876 4.023 5.773 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.681 2.981 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.723 2.460 5.689 1.00 0.00 H new