USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=21 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= -0.943 X(o=-0.53,f=-0.26) USER MOD Set 1.2: A 82 THR OG1 : rot 56:sc= 0.408 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.0957 K(o=-1.9,f=-6.4!) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc= -2.02! C(o=-3.5!,f=-1.9!) USER MOD Set 3.1: A 22 THR OG1 : rot 69:sc= 1.08 USER MOD Set 3.2: A 69 ASN : amide:sc= 2.2 K(o=3.3,f=-2.2) USER MOD Single : A 23 ASN : amide:sc= -2.33! X(o=-2.3!,f=-2.6) USER MOD Single : A 27 ASN : amide:sc= 0.139 K(o=0.14,f=-1.4) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0682 F(o=-1.5,f=-0.068) USER MOD Single : A 33 MET CE :methyl 162:sc= -3.19! (180deg=-4.72) USER MOD Single : A 34 THR OG1 : rot -170:sc= -1.79! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.89! C(o=-5.8!,f=-4.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -39:sc= 0.0186 USER MOD Single : A 44 SER OG : rot -66:sc= 1.21 USER MOD Single : A 50 SER OG : rot -87:sc= 1.34 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -157:sc=0.000412 USER MOD Single : A 65 TYR OH : rot -40:sc= -0.0959 USER MOD Single : A 70 TYR OH : rot -150:sc= -1.63! USER MOD Single : A 72 THR OG1 : rot -159:sc= 0.099 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.61! C(o=-3.6!,f=-9!) USER MOD Single : A 90 SER OG : rot -42:sc= 0.0123 USER MOD Single : A 91 LYS NZ :NH3+ -129:sc= -6.78! (180deg=-10!) 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 4:sc= 0.533 USER MOD Single : A 97 TYR OH : rot 180:sc=-0.000285 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.269 -2.743 5.692 1.00 0.00 N ATOM 302 CA THR A 22 7.318 -3.798 5.411 1.00 0.00 C ATOM 303 C THR A 22 5.931 -3.192 5.233 1.00 0.00 C ATOM 304 O THR A 22 5.042 -3.789 4.627 1.00 0.00 O ATOM 305 CB THR A 22 7.299 -4.826 6.557 1.00 0.00 C ATOM 306 OG1 THR A 22 6.936 -4.181 7.784 1.00 0.00 O ATOM 307 CG2 THR A 22 8.664 -5.471 6.724 1.00 0.00 C ATOM 0 HA THR A 22 7.614 -4.309 4.495 1.00 0.00 H new ATOM 0 HB THR A 22 6.568 -5.596 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.997 -3.902 7.742 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.628 -6.194 7.539 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.942 -5.979 5.801 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.404 -4.704 6.952 1.00 0.00 H new ATOM 315 N ASN A 23 5.774 -1.991 5.779 1.00 0.00 N ATOM 316 CA ASN A 23 4.530 -1.238 5.690 1.00 0.00 C ATOM 317 C ASN A 23 4.334 -0.737 4.271 1.00 0.00 C ATOM 318 O ASN A 23 5.167 0.004 3.748 1.00 0.00 O ATOM 319 CB ASN A 23 4.589 -0.042 6.633 1.00 0.00 C ATOM 320 CG ASN A 23 3.249 0.645 6.801 1.00 0.00 C ATOM 321 OD1 ASN A 23 2.194 0.027 6.655 1.00 0.00 O ATOM 322 ND2 ASN A 23 3.281 1.927 7.129 1.00 0.00 N ATOM 0 H ASN A 23 6.510 -1.511 6.298 1.00 0.00 H new ATOM 0 HA ASN A 23 3.700 -1.888 5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.947 -0.372 7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.315 0.677 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.410 2.439 7.270 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.176 2.403 7.240 1.00 0.00 H new ATOM 329 N LEU A 24 3.247 -1.129 3.646 1.00 0.00 N ATOM 330 CA LEU A 24 3.009 -0.757 2.270 1.00 0.00 C ATOM 331 C LEU A 24 1.780 0.123 2.151 1.00 0.00 C ATOM 332 O LEU A 24 0.659 -0.311 2.406 1.00 0.00 O ATOM 333 CB LEU A 24 2.848 -2.013 1.418 1.00 0.00 C ATOM 334 CG LEU A 24 3.583 -2.006 0.083 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.066 -1.758 0.286 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.373 -3.324 -0.618 1.00 0.00 C ATOM 0 H LEU A 24 2.516 -1.703 4.067 1.00 0.00 H new ATOM 0 HA LEU A 24 3.866 -0.187 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.194 -2.869 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.786 -2.166 1.226 1.00 0.00 H new ATOM 0 HG LEU A 24 3.182 -1.200 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.570 -1.757 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.210 -0.793 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.484 -2.546 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.900 -3.316 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.759 -4.132 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.308 -3.478 -0.792 1.00 0.00 H new ATOM 348 N ILE A 25 2.002 1.364 1.768 1.00 0.00 N ATOM 349 CA ILE A 25 0.918 2.270 1.487 1.00 0.00 C ATOM 350 C ILE A 25 0.386 1.967 0.099 1.00 0.00 C ATOM 351 O ILE A 25 1.145 1.870 -0.866 1.00 0.00 O ATOM 352 CB ILE A 25 1.347 3.755 1.570 1.00 0.00 C ATOM 353 CG1 ILE A 25 0.108 4.639 1.463 1.00 0.00 C ATOM 354 CG2 ILE A 25 2.381 4.102 0.505 1.00 0.00 C ATOM 355 CD1 ILE A 25 0.400 6.113 1.318 1.00 0.00 C ATOM 0 H ILE A 25 2.931 1.766 1.645 1.00 0.00 H new ATOM 0 HA ILE A 25 0.147 2.122 2.243 1.00 0.00 H new ATOM 0 HB ILE A 25 1.828 3.933 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.482 4.313 0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.507 4.489 2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.658 5.152 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.266 3.481 0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.960 3.921 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.538 6.665 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.962 6.460 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.987 6.281 0.415 1.00 0.00 H new ATOM 367 N VAL A 26 -0.901 1.761 0.002 1.00 0.00 N ATOM 368 CA VAL A 26 -1.502 1.489 -1.277 1.00 0.00 C ATOM 369 C VAL A 26 -2.513 2.555 -1.588 1.00 0.00 C ATOM 370 O VAL A 26 -3.588 2.608 -0.996 1.00 0.00 O ATOM 371 CB VAL A 26 -2.165 0.114 -1.322 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.510 -0.253 -2.755 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.240 -0.910 -0.716 1.00 0.00 C ATOM 0 H VAL A 26 -1.550 1.776 0.788 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.710 1.491 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.090 0.137 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.982 -1.235 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.196 0.488 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.600 -0.276 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.713 -1.892 -0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.308 -0.938 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.029 -0.642 0.319 1.00 0.00 H new ATOM 383 N ASN A 27 -2.147 3.416 -2.498 1.00 0.00 N ATOM 384 CA ASN A 27 -2.981 4.532 -2.854 1.00 0.00 C ATOM 385 C ASN A 27 -3.820 4.156 -4.050 1.00 0.00 C ATOM 386 O ASN A 27 -3.637 3.082 -4.631 1.00 0.00 O ATOM 387 CB ASN A 27 -2.127 5.752 -3.181 1.00 0.00 C ATOM 388 CG ASN A 27 -2.781 7.055 -2.773 1.00 0.00 C ATOM 389 OD1 ASN A 27 -3.579 7.624 -3.514 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.422 7.542 -1.596 1.00 0.00 N ATOM 0 H ASN A 27 -1.267 3.365 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.628 4.781 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.165 5.661 -2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.926 5.772 -4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.812 8.426 -1.270 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.756 7.033 -1.015 1.00 0.00 H new ATOM 397 N TYR A 28 -4.725 5.043 -4.409 1.00 0.00 N ATOM 398 CA TYR A 28 -5.594 4.855 -5.561 1.00 0.00 C ATOM 399 C TYR A 28 -6.409 3.568 -5.435 1.00 0.00 C ATOM 400 O TYR A 28 -6.736 2.925 -6.429 1.00 0.00 O ATOM 401 CB TYR A 28 -4.757 4.853 -6.842 1.00 0.00 C ATOM 402 CG TYR A 28 -3.843 6.059 -6.944 1.00 0.00 C ATOM 403 CD1 TYR A 28 -4.299 7.278 -7.427 1.00 0.00 C ATOM 404 CD2 TYR A 28 -2.522 5.975 -6.528 1.00 0.00 C ATOM 405 CE1 TYR A 28 -3.460 8.377 -7.490 1.00 0.00 C ATOM 406 CE2 TYR A 28 -1.676 7.064 -6.588 1.00 0.00 C ATOM 407 CZ TYR A 28 -2.150 8.265 -7.069 1.00 0.00 C ATOM 408 OH TYR A 28 -1.313 9.357 -7.129 1.00 0.00 O ATOM 0 H TYR A 28 -4.882 5.919 -3.911 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.302 5.683 -5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.157 3.943 -6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.422 4.831 -7.706 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.323 7.370 -7.758 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.147 5.036 -6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.829 9.319 -7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.651 6.975 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.426 9.108 -6.794 1.00 0.00 H new ATOM 418 N LEU A 29 -6.730 3.197 -4.200 1.00 0.00 N ATOM 419 CA LEU A 29 -7.586 2.044 -3.949 1.00 0.00 C ATOM 420 C LEU A 29 -8.984 2.339 -4.438 1.00 0.00 C ATOM 421 O LEU A 29 -9.459 3.472 -4.319 1.00 0.00 O ATOM 422 CB LEU A 29 -7.634 1.707 -2.459 1.00 0.00 C ATOM 423 CG LEU A 29 -6.327 1.201 -1.863 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.548 0.705 -0.446 1.00 0.00 C ATOM 425 CD2 LEU A 29 -5.745 0.102 -2.728 1.00 0.00 C ATOM 0 H LEU A 29 -6.411 3.677 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.173 1.189 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.943 2.598 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.403 0.952 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.616 2.027 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.604 0.347 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.926 1.521 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.272 -0.109 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.811 -0.250 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.452 -0.726 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.553 0.490 -3.728 1.00 0.00 H new ATOM 437 N PRO A 30 -9.661 1.337 -5.019 1.00 0.00 N ATOM 438 CA PRO A 30 -11.005 1.517 -5.535 1.00 0.00 C ATOM 439 C PRO A 30 -11.915 2.121 -4.472 1.00 0.00 C ATOM 440 O PRO A 30 -11.851 1.740 -3.301 1.00 0.00 O ATOM 441 CB PRO A 30 -11.485 0.119 -5.898 1.00 0.00 C ATOM 442 CG PRO A 30 -10.279 -0.759 -5.906 1.00 0.00 C ATOM 443 CD PRO A 30 -9.158 -0.032 -5.211 1.00 0.00 C ATOM 0 HA PRO A 30 -11.020 2.194 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.219 -0.238 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.971 0.118 -6.874 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.492 -1.701 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.995 -1.004 -6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.913 -0.501 -4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.249 -0.039 -5.812 1.00 0.00 H new ATOM 451 N GLN A 31 -12.767 3.041 -4.886 1.00 0.00 N ATOM 452 CA GLN A 31 -13.529 3.863 -3.955 1.00 0.00 C ATOM 453 C GLN A 31 -14.582 3.059 -3.191 1.00 0.00 C ATOM 454 O GLN A 31 -15.146 3.542 -2.210 1.00 0.00 O ATOM 455 CB GLN A 31 -14.169 5.021 -4.715 1.00 0.00 C ATOM 456 CG GLN A 31 -13.143 5.973 -5.315 1.00 0.00 C ATOM 457 CD GLN A 31 -12.385 6.743 -4.253 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.294 6.174 -3.768 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -12.784 7.840 -3.864 1.00 0.00 N flip ATOM 0 H GLN A 31 -12.952 3.241 -5.869 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.841 4.252 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.798 4.623 -5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.821 5.576 -4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.438 5.407 -5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.647 6.675 -5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.630 8.246 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.268 8.344 -3.142 1.00 0.00 H new ATOM 468 N ASN A 32 -14.835 1.835 -3.631 1.00 0.00 N ATOM 469 CA ASN A 32 -15.804 0.977 -2.970 1.00 0.00 C ATOM 470 C ASN A 32 -15.162 -0.322 -2.472 1.00 0.00 C ATOM 471 O ASN A 32 -15.863 -1.245 -2.061 1.00 0.00 O ATOM 472 CB ASN A 32 -16.953 0.653 -3.928 1.00 0.00 C ATOM 473 CG ASN A 32 -16.515 -0.210 -5.098 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.362 -0.163 -5.526 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.433 -0.998 -5.627 1.00 0.00 N ATOM 0 H ASN A 32 -14.382 1.415 -4.443 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.188 1.515 -2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.744 0.141 -3.380 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.378 1.583 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.197 -1.596 -6.419 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.378 -1.009 -5.244 1.00 0.00 H new ATOM 482 N MET A 33 -13.833 -0.401 -2.511 1.00 0.00 N ATOM 483 CA MET A 33 -13.140 -1.616 -2.089 1.00 0.00 C ATOM 484 C MET A 33 -13.077 -1.712 -0.565 1.00 0.00 C ATOM 485 O MET A 33 -13.418 -0.762 0.137 1.00 0.00 O ATOM 486 CB MET A 33 -11.734 -1.648 -2.671 1.00 0.00 C ATOM 487 CG MET A 33 -11.321 -3.032 -3.132 1.00 0.00 C ATOM 488 SD MET A 33 -9.645 -3.087 -3.773 1.00 0.00 S ATOM 489 CE MET A 33 -8.730 -2.304 -2.449 1.00 0.00 C ATOM 0 H MET A 33 -13.221 0.352 -2.826 1.00 0.00 H new ATOM 0 HA MET A 33 -13.702 -2.472 -2.462 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.678 -0.958 -3.513 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.027 -1.294 -1.921 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.408 -3.728 -2.298 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.011 -3.373 -3.904 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.672 -2.545 -2.546 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.862 -1.223 -2.505 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.098 -2.666 -1.489 1.00 0.00 H new ATOM 499 N THR A 34 -12.644 -2.865 -0.059 1.00 0.00 N ATOM 500 CA THR A 34 -12.597 -3.103 1.381 1.00 0.00 C ATOM 501 C THR A 34 -11.178 -3.377 1.856 1.00 0.00 C ATOM 502 O THR A 34 -10.279 -3.588 1.036 1.00 0.00 O ATOM 503 CB THR A 34 -13.473 -4.308 1.782 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.845 -5.529 1.374 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.840 -4.218 1.134 1.00 0.00 C ATOM 0 H THR A 34 -12.321 -3.649 -0.626 1.00 0.00 H new ATOM 0 HA THR A 34 -12.975 -2.196 1.852 1.00 0.00 H new ATOM 0 HB THR A 34 -13.589 -4.295 2.866 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.472 -6.273 1.488 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.441 -5.078 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.335 -3.301 1.455 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.729 -4.210 0.050 1.00 0.00 H new ATOM 513 N GLN A 35 -10.978 -3.366 3.175 1.00 0.00 N ATOM 514 CA GLN A 35 -9.719 -3.821 3.755 1.00 0.00 C ATOM 515 C GLN A 35 -9.424 -5.222 3.283 1.00 0.00 C ATOM 516 O GLN A 35 -8.339 -5.504 2.821 1.00 0.00 O ATOM 517 CB GLN A 35 -9.746 -3.859 5.284 1.00 0.00 C ATOM 518 CG GLN A 35 -10.016 -2.532 5.962 1.00 0.00 C ATOM 519 CD GLN A 35 -11.464 -2.074 5.858 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.397 -3.017 5.829 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.743 -0.878 5.815 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.668 -3.049 3.856 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.959 -3.108 3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.509 -4.571 5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.788 -4.240 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.744 -2.610 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.371 -1.771 5.522 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.000 -0.180 5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.718 -0.584 5.755 1.00 0.00 H new ATOM 530 N ASP A 36 -10.424 -6.083 3.395 1.00 0.00 N ATOM 531 CA ASP A 36 -10.276 -7.498 3.075 1.00 0.00 C ATOM 532 C ASP A 36 -9.840 -7.695 1.627 1.00 0.00 C ATOM 533 O ASP A 36 -9.061 -8.594 1.326 1.00 0.00 O ATOM 534 CB ASP A 36 -11.598 -8.220 3.330 1.00 0.00 C ATOM 535 CG ASP A 36 -11.500 -9.714 3.100 1.00 0.00 C ATOM 536 OD1 ASP A 36 -10.787 -10.396 3.866 1.00 0.00 O ATOM 537 OD2 ASP A 36 -12.144 -10.215 2.156 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.359 -5.823 3.709 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.501 -7.918 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.917 -8.034 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.366 -7.805 2.677 1.00 0.00 H new ATOM 542 N GLU A 37 -10.329 -6.841 0.738 1.00 0.00 N ATOM 543 CA GLU A 37 -9.929 -6.884 -0.661 1.00 0.00 C ATOM 544 C GLU A 37 -8.494 -6.399 -0.809 1.00 0.00 C ATOM 545 O GLU A 37 -7.663 -7.061 -1.432 1.00 0.00 O ATOM 546 CB GLU A 37 -10.857 -6.010 -1.500 1.00 0.00 C ATOM 547 CG GLU A 37 -12.308 -6.456 -1.468 1.00 0.00 C ATOM 548 CD GLU A 37 -12.495 -7.842 -2.043 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.038 -8.087 -3.178 1.00 0.00 O ATOM 550 OE2 GLU A 37 -13.107 -8.691 -1.365 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.004 -6.110 0.962 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.996 -7.914 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.794 -4.982 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.508 -6.011 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.668 -6.440 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.916 -5.747 -2.030 1.00 0.00 H new ATOM 557 N LEU A 38 -8.223 -5.242 -0.216 1.00 0.00 N ATOM 558 CA LEU A 38 -6.888 -4.662 -0.182 1.00 0.00 C ATOM 559 C LEU A 38 -5.908 -5.656 0.457 1.00 0.00 C ATOM 560 O LEU A 38 -4.770 -5.811 0.025 1.00 0.00 O ATOM 561 CB LEU A 38 -6.971 -3.328 0.602 1.00 0.00 C ATOM 562 CG LEU A 38 -5.675 -2.531 0.780 1.00 0.00 C ATOM 563 CD1 LEU A 38 -4.950 -2.954 2.041 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.782 -2.684 -0.436 1.00 0.00 C ATOM 0 H LEU A 38 -8.929 -4.677 0.257 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.517 -4.455 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.694 -2.686 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.372 -3.544 1.592 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.934 -1.477 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.033 -2.374 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.591 -2.779 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.704 -4.014 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.867 -2.110 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.533 -3.736 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.304 -2.316 -1.319 1.00 0.00 H new ATOM 576 N ARG A 39 -6.397 -6.357 1.458 1.00 0.00 N ATOM 577 CA ARG A 39 -5.612 -7.312 2.214 1.00 0.00 C ATOM 578 C ARG A 39 -5.401 -8.600 1.409 1.00 0.00 C ATOM 579 O ARG A 39 -4.294 -9.130 1.368 1.00 0.00 O ATOM 580 CB ARG A 39 -6.340 -7.585 3.544 1.00 0.00 C ATOM 581 CG ARG A 39 -5.500 -8.218 4.642 1.00 0.00 C ATOM 582 CD ARG A 39 -5.201 -9.672 4.361 1.00 0.00 C ATOM 583 NE ARG A 39 -4.490 -10.310 5.465 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.220 -11.613 5.526 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.628 -12.426 4.558 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.549 -12.102 6.560 1.00 0.00 N ATOM 0 H ARG A 39 -7.364 -6.279 1.774 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.621 -6.907 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.740 -6.642 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.191 -8.236 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.564 -7.669 4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.025 -8.133 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.134 -10.204 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.604 -9.750 3.453 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.181 -9.721 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.150 -12.053 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.420 -13.423 4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.240 -11.481 7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.342 -13.100 6.608 1.00 0.00 H new ATOM 600 N SER A 40 -6.454 -9.089 0.753 1.00 0.00 N ATOM 601 CA SER A 40 -6.386 -10.363 0.037 1.00 0.00 C ATOM 602 C SER A 40 -5.516 -10.244 -1.212 1.00 0.00 C ATOM 603 O SER A 40 -4.745 -11.148 -1.533 1.00 0.00 O ATOM 604 CB SER A 40 -7.790 -10.844 -0.345 1.00 0.00 C ATOM 605 OG SER A 40 -7.765 -12.179 -0.824 1.00 0.00 O ATOM 0 H SER A 40 -7.361 -8.624 0.703 1.00 0.00 H new ATOM 0 HA SER A 40 -5.932 -11.096 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.447 -10.779 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.206 -10.189 -1.110 1.00 0.00 H new ATOM 0 HG SER A 40 -8.674 -12.459 -1.059 1.00 0.00 H new ATOM 611 N LEU A 41 -5.638 -9.124 -1.904 1.00 0.00 N ATOM 612 CA LEU A 41 -4.858 -8.863 -3.099 1.00 0.00 C ATOM 613 C LEU A 41 -3.379 -8.802 -2.764 1.00 0.00 C ATOM 614 O LEU A 41 -2.550 -9.265 -3.529 1.00 0.00 O ATOM 615 CB LEU A 41 -5.361 -7.562 -3.726 1.00 0.00 C ATOM 616 CG LEU A 41 -4.879 -7.234 -5.139 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.701 -6.280 -5.096 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.511 -8.501 -5.905 1.00 0.00 C ATOM 0 H LEU A 41 -6.280 -8.372 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.981 -9.671 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.450 -7.593 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.074 -6.739 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.700 -6.748 -5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.374 -6.060 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.000 -5.355 -4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.882 -6.738 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.172 -8.235 -6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.713 -9.025 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.385 -9.149 -5.978 1.00 0.00 H new ATOM 630 N PHE A 42 -3.046 -8.265 -1.614 1.00 0.00 N ATOM 631 CA PHE A 42 -1.664 -8.248 -1.182 1.00 0.00 C ATOM 632 C PHE A 42 -1.275 -9.580 -0.565 1.00 0.00 C ATOM 633 O PHE A 42 -0.103 -9.946 -0.542 1.00 0.00 O ATOM 634 CB PHE A 42 -1.411 -7.073 -0.248 1.00 0.00 C ATOM 635 CG PHE A 42 -1.317 -5.789 -1.013 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.433 -5.271 -1.653 1.00 0.00 C ATOM 637 CD2 PHE A 42 -0.109 -5.120 -1.133 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.346 -4.118 -2.392 1.00 0.00 C ATOM 639 CE2 PHE A 42 -0.025 -3.957 -1.870 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.144 -3.466 -2.497 1.00 0.00 C ATOM 0 H PHE A 42 -3.705 -7.837 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.023 -8.107 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.216 -7.006 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.488 -7.238 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.381 -5.781 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.772 -5.512 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.221 -3.725 -2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.917 -3.435 -1.954 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.077 -2.558 -3.078 1.00 0.00 H new ATOM 650 N SER A 43 -2.267 -10.323 -0.104 1.00 0.00 N ATOM 651 CA SER A 43 -2.040 -11.677 0.366 1.00 0.00 C ATOM 652 C SER A 43 -1.724 -12.579 -0.828 1.00 0.00 C ATOM 653 O SER A 43 -1.252 -13.704 -0.666 1.00 0.00 O ATOM 654 CB SER A 43 -3.266 -12.195 1.127 1.00 0.00 C ATOM 655 OG SER A 43 -2.967 -13.381 1.845 1.00 0.00 O ATOM 0 H SER A 43 -3.236 -10.011 -0.046 1.00 0.00 H new ATOM 0 HA SER A 43 -1.194 -11.683 1.053 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.618 -11.429 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.077 -12.388 0.425 1.00 0.00 H new ATOM 0 HG SER A 43 -2.378 -13.950 1.306 1.00 0.00 H new ATOM 661 N SER A 44 -1.986 -12.072 -2.034 1.00 0.00 N ATOM 662 CA SER A 44 -1.647 -12.791 -3.249 1.00 0.00 C ATOM 663 C SER A 44 -0.131 -12.804 -3.416 1.00 0.00 C ATOM 664 O SER A 44 0.461 -13.804 -3.832 1.00 0.00 O ATOM 665 CB SER A 44 -2.328 -12.149 -4.470 1.00 0.00 C ATOM 666 OG SER A 44 -1.566 -11.072 -4.990 1.00 0.00 O ATOM 0 H SER A 44 -2.431 -11.167 -2.188 1.00 0.00 H new ATOM 0 HA SER A 44 -2.008 -13.817 -3.174 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.470 -12.902 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.318 -11.791 -4.188 1.00 0.00 H new ATOM 0 HG SER A 44 -1.539 -10.344 -4.335 1.00 0.00 H new ATOM 672 N ILE A 45 0.488 -11.676 -3.076 1.00 0.00 N ATOM 673 CA ILE A 45 1.944 -11.567 -3.061 1.00 0.00 C ATOM 674 C ILE A 45 2.549 -12.498 -2.019 1.00 0.00 C ATOM 675 O ILE A 45 3.499 -13.226 -2.303 1.00 0.00 O ATOM 676 CB ILE A 45 2.389 -10.111 -2.784 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.162 -9.258 -4.023 1.00 0.00 C ATOM 678 CG2 ILE A 45 3.854 -10.038 -2.356 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.210 -9.462 -5.083 1.00 0.00 C ATOM 0 H ILE A 45 0.001 -10.821 -2.806 1.00 0.00 H new ATOM 0 HA ILE A 45 2.305 -11.861 -4.047 1.00 0.00 H new ATOM 0 HB ILE A 45 1.787 -9.727 -1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.182 -9.489 -4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.146 -8.207 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.128 -8.999 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.996 -10.619 -1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.485 -10.444 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.990 -8.825 -5.940 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.190 -9.204 -4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.211 -10.506 -5.398 1.00 0.00 H new ATOM 691 N GLY A 46 1.968 -12.504 -0.832 1.00 0.00 N ATOM 692 CA GLY A 46 2.531 -13.274 0.255 1.00 0.00 C ATOM 693 C GLY A 46 1.820 -13.025 1.561 1.00 0.00 C ATOM 694 O GLY A 46 0.611 -12.791 1.580 1.00 0.00 O ATOM 0 H GLY A 46 1.118 -11.990 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.478 -14.335 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.586 -13.025 0.365 1.00 0.00 H new ATOM 698 N GLU A 47 2.564 -13.059 2.654 1.00 0.00 N ATOM 699 CA GLU A 47 1.969 -12.915 3.969 1.00 0.00 C ATOM 700 C GLU A 47 1.829 -11.468 4.380 1.00 0.00 C ATOM 701 O GLU A 47 2.808 -10.731 4.534 1.00 0.00 O ATOM 702 CB GLU A 47 2.759 -13.684 5.017 1.00 0.00 C ATOM 703 CG GLU A 47 2.374 -15.143 5.090 1.00 0.00 C ATOM 704 CD GLU A 47 3.300 -15.945 5.978 1.00 0.00 C ATOM 705 OE1 GLU A 47 4.298 -16.501 5.468 1.00 0.00 O ATOM 706 OE2 GLU A 47 3.040 -16.020 7.198 1.00 0.00 O1- ATOM 0 H GLU A 47 3.576 -13.185 2.656 1.00 0.00 H new ATOM 0 HA GLU A 47 0.966 -13.338 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.823 -13.605 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.603 -13.223 5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.354 -15.228 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.381 -15.568 4.086 1.00 0.00 H new ATOM 713 N VAL A 48 0.588 -11.089 4.573 1.00 0.00 N ATOM 714 CA VAL A 48 0.244 -9.751 5.005 1.00 0.00 C ATOM 715 C VAL A 48 0.035 -9.725 6.490 1.00 0.00 C ATOM 716 O VAL A 48 -0.862 -10.369 7.037 1.00 0.00 O ATOM 717 CB VAL A 48 -1.007 -9.221 4.282 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.395 -7.847 4.805 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.761 -9.192 2.785 1.00 0.00 C ATOM 0 H VAL A 48 -0.216 -11.701 4.435 1.00 0.00 H new ATOM 0 HA VAL A 48 1.076 -9.096 4.747 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.842 -9.892 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.282 -7.494 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.608 -7.911 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.574 -7.150 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.649 -8.816 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.084 -8.539 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.541 -10.200 2.433 1.00 0.00 H new ATOM 729 N GLU A 49 0.904 -8.974 7.120 1.00 0.00 N ATOM 730 CA GLU A 49 0.907 -8.814 8.536 1.00 0.00 C ATOM 731 C GLU A 49 -0.389 -8.147 8.987 1.00 0.00 C ATOM 732 O GLU A 49 -1.106 -8.665 9.843 1.00 0.00 O ATOM 733 CB GLU A 49 2.114 -7.999 8.915 1.00 0.00 C ATOM 734 CG GLU A 49 2.415 -8.033 10.392 1.00 0.00 C ATOM 735 CD GLU A 49 1.537 -7.118 11.223 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.524 -5.898 10.960 1.00 0.00 O ATOM 737 OE2 GLU A 49 0.857 -7.618 12.144 1.00 0.00 O1- ATOM 0 H GLU A 49 1.640 -8.451 6.645 1.00 0.00 H new ATOM 0 HA GLU A 49 0.962 -9.782 9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.980 -8.368 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.958 -6.965 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.300 -9.055 10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.458 -7.757 10.546 1.00 0.00 H new ATOM 744 N SER A 50 -0.695 -7.008 8.377 1.00 0.00 N ATOM 745 CA SER A 50 -1.924 -6.283 8.678 1.00 0.00 C ATOM 746 C SER A 50 -2.230 -5.280 7.571 1.00 0.00 C ATOM 747 O SER A 50 -1.362 -4.511 7.172 1.00 0.00 O ATOM 748 CB SER A 50 -1.809 -5.572 10.031 1.00 0.00 C ATOM 749 OG SER A 50 -0.653 -4.751 10.092 1.00 0.00 O ATOM 0 H SER A 50 -0.108 -6.566 7.670 1.00 0.00 H new ATOM 0 HA SER A 50 -2.745 -6.998 8.735 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.698 -4.964 10.200 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.773 -6.312 10.830 1.00 0.00 H new ATOM 0 HG SER A 50 0.110 -5.283 10.400 1.00 0.00 H new ATOM 755 N ALA A 51 -3.454 -5.297 7.063 1.00 0.00 N ATOM 756 CA ALA A 51 -3.829 -4.398 5.981 1.00 0.00 C ATOM 757 C ALA A 51 -5.026 -3.543 6.358 1.00 0.00 C ATOM 758 O ALA A 51 -6.049 -4.057 6.810 1.00 0.00 O ATOM 759 CB ALA A 51 -4.117 -5.178 4.707 1.00 0.00 C ATOM 0 H ALA A 51 -4.199 -5.918 7.379 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.985 -3.733 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.395 -4.486 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.227 -5.732 4.411 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.936 -5.875 4.884 1.00 0.00 H new ATOM 765 N LYS A 52 -4.892 -2.238 6.172 1.00 0.00 N ATOM 766 CA LYS A 52 -5.972 -1.313 6.466 1.00 0.00 C ATOM 767 C LYS A 52 -6.484 -0.648 5.205 1.00 0.00 C ATOM 768 O LYS A 52 -5.753 -0.479 4.229 1.00 0.00 O ATOM 769 CB LYS A 52 -5.542 -0.224 7.455 1.00 0.00 C ATOM 770 CG LYS A 52 -4.240 0.460 7.124 1.00 0.00 C ATOM 771 CD LYS A 52 -3.971 1.639 8.049 1.00 0.00 C ATOM 772 CE LYS A 52 -3.826 1.197 9.486 1.00 0.00 C ATOM 773 NZ LYS A 52 -3.382 2.305 10.370 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.043 -1.797 5.818 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.767 -1.907 6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.328 0.530 7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.460 -0.667 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.423 -0.257 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.263 0.806 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.062 2.151 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.786 2.358 7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.780 0.809 9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.108 0.379 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.296 1.957 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.459 2.659 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.080 3.076 10.338 1.00 0.00 H new ATOM 787 N LEU A 53 -7.743 -0.264 5.252 1.00 0.00 N ATOM 788 CA LEU A 53 -8.359 0.509 4.199 1.00 0.00 C ATOM 789 C LEU A 53 -8.851 1.807 4.794 1.00 0.00 C ATOM 790 O LEU A 53 -9.534 1.808 5.820 1.00 0.00 O ATOM 791 CB LEU A 53 -9.526 -0.244 3.578 1.00 0.00 C ATOM 792 CG LEU A 53 -10.320 0.539 2.543 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.882 0.159 1.149 1.00 0.00 C ATOM 794 CD2 LEU A 53 -11.802 0.286 2.718 1.00 0.00 C ATOM 0 H LEU A 53 -8.369 -0.482 6.027 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.627 0.697 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.145 -1.152 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.203 -0.555 4.374 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.130 1.602 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.459 0.727 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.822 0.382 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.049 -0.907 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.358 0.852 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.007 -0.777 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.110 0.601 3.715 1.00 0.00 H new ATOM 806 N ILE A 54 -8.510 2.907 4.169 1.00 0.00 N ATOM 807 CA ILE A 54 -8.832 4.196 4.735 1.00 0.00 C ATOM 808 C ILE A 54 -10.106 4.739 4.126 1.00 0.00 C ATOM 809 O ILE A 54 -10.211 4.896 2.911 1.00 0.00 O ATOM 810 CB ILE A 54 -7.704 5.209 4.522 1.00 0.00 C ATOM 811 CG1 ILE A 54 -6.364 4.653 5.030 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.034 6.528 5.209 1.00 0.00 C ATOM 813 CD1 ILE A 54 -6.399 4.112 6.449 1.00 0.00 C ATOM 0 H ILE A 54 -8.015 2.938 3.278 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.967 4.049 5.807 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.609 5.392 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.039 3.857 4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.614 5.442 4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.221 7.236 5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.957 6.934 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.161 6.360 6.278 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.411 3.742 6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.690 4.908 7.135 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.121 3.298 6.510 1.00 0.00 H new ATOM 934 N SER A 62 -14.171 4.565 0.980 1.00 0.00 N ATOM 935 CA SER A 62 -12.742 4.469 0.729 1.00 0.00 C ATOM 936 C SER A 62 -12.209 5.800 0.224 1.00 0.00 C ATOM 937 O SER A 62 -12.620 6.294 -0.828 1.00 0.00 O ATOM 938 CB SER A 62 -12.436 3.362 -0.283 1.00 0.00 C ATOM 939 OG SER A 62 -11.043 3.258 -0.533 1.00 0.00 O ATOM 0 HA SER A 62 -12.248 4.219 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.812 2.410 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.960 3.566 -1.217 1.00 0.00 H new ATOM 0 HG SER A 62 -10.898 2.841 -1.408 1.00 0.00 H new ATOM 945 N LEU A 63 -11.299 6.382 0.983 1.00 0.00 N ATOM 946 CA LEU A 63 -10.755 7.682 0.651 1.00 0.00 C ATOM 947 C LEU A 63 -9.663 7.549 -0.400 1.00 0.00 C ATOM 948 O LEU A 63 -8.977 8.515 -0.735 1.00 0.00 O ATOM 949 CB LEU A 63 -10.240 8.386 1.908 1.00 0.00 C ATOM 950 CG LEU A 63 -11.308 8.677 2.978 1.00 0.00 C ATOM 951 CD1 LEU A 63 -10.810 9.738 3.942 1.00 0.00 C ATOM 952 CD2 LEU A 63 -12.632 9.095 2.338 1.00 0.00 C ATOM 0 H LEU A 63 -10.921 5.971 1.837 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.550 8.297 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.458 7.772 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.777 9.328 1.614 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.490 7.760 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.575 9.934 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.902 9.387 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.596 10.656 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.367 9.294 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.480 9.996 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.994 8.293 1.695 1.00 0.00 H new ATOM 964 N GLY A 64 -9.515 6.337 -0.917 1.00 0.00 N ATOM 965 CA GLY A 64 -8.650 6.109 -2.047 1.00 0.00 C ATOM 966 C GLY A 64 -7.257 5.672 -1.666 1.00 0.00 C ATOM 967 O GLY A 64 -6.327 5.850 -2.443 1.00 0.00 O ATOM 0 H GLY A 64 -9.986 5.503 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.097 5.349 -2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.586 7.025 -2.635 1.00 0.00 H new ATOM 971 N TYR A 65 -7.100 5.097 -0.482 1.00 0.00 N ATOM 972 CA TYR A 65 -5.799 4.581 -0.071 1.00 0.00 C ATOM 973 C TYR A 65 -5.910 3.701 1.169 1.00 0.00 C ATOM 974 O TYR A 65 -6.943 3.675 1.840 1.00 0.00 O ATOM 975 CB TYR A 65 -4.793 5.721 0.161 1.00 0.00 C ATOM 976 CG TYR A 65 -5.085 6.617 1.333 1.00 0.00 C ATOM 977 CD1 TYR A 65 -4.274 6.582 2.454 1.00 0.00 C ATOM 978 CD2 TYR A 65 -6.144 7.512 1.312 1.00 0.00 C ATOM 979 CE1 TYR A 65 -4.508 7.412 3.525 1.00 0.00 C ATOM 980 CE2 TYR A 65 -6.389 8.343 2.381 1.00 0.00 C ATOM 981 CZ TYR A 65 -5.568 8.293 3.487 1.00 0.00 C ATOM 982 OH TYR A 65 -5.805 9.130 4.553 1.00 0.00 O ATOM 0 H TYR A 65 -7.845 4.976 0.204 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.427 3.962 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.803 5.286 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.751 6.333 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.444 5.892 2.488 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.786 7.557 0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.865 7.374 4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.221 9.031 2.354 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.656 8.643 5.390 1.00 0.00 H new ATOM 992 N GLY A 66 -4.839 2.971 1.442 1.00 0.00 N ATOM 993 CA GLY A 66 -4.793 2.065 2.571 1.00 0.00 C ATOM 994 C GLY A 66 -3.367 1.684 2.907 1.00 0.00 C ATOM 995 O GLY A 66 -2.434 2.148 2.252 1.00 0.00 O ATOM 0 H GLY A 66 -3.983 2.992 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.261 2.534 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.369 1.168 2.345 1.00 0.00 H new ATOM 999 N PHE A 67 -3.189 0.844 3.917 1.00 0.00 N ATOM 1000 CA PHE A 67 -1.849 0.478 4.372 1.00 0.00 C ATOM 1001 C PHE A 67 -1.776 -1.008 4.692 1.00 0.00 C ATOM 1002 O PHE A 67 -2.371 -1.468 5.661 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.462 1.279 5.622 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.473 2.771 5.438 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -2.625 3.501 5.682 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -0.335 3.442 5.028 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -2.641 4.872 5.520 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -0.345 4.814 4.864 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.499 5.530 5.110 1.00 0.00 C ATOM 0 H PHE A 67 -3.949 0.404 4.436 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.153 0.708 3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.147 1.021 6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.465 0.973 5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.521 2.991 6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.571 2.887 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.546 5.429 5.714 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.550 5.326 4.543 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.508 6.602 4.982 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.062 -1.758 3.877 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.866 -3.168 4.130 1.00 0.00 C ATOM 1021 C VAL A 68 0.575 -3.452 4.530 1.00 0.00 C ATOM 1022 O VAL A 68 1.506 -3.342 3.738 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.334 -4.039 2.932 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.511 -3.191 1.697 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.406 -5.219 2.654 1.00 0.00 C ATOM 0 H VAL A 68 -0.607 -1.412 3.032 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.496 -3.449 4.974 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.298 -4.465 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.839 -3.819 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.259 -2.422 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.563 -2.719 1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.786 -5.789 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.593 -4.850 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.362 -5.862 3.533 1.00 0.00 H new ATOM 1035 N ASN A 69 0.742 -3.750 5.801 1.00 0.00 N ATOM 1036 CA ASN A 69 2.020 -4.144 6.346 1.00 0.00 C ATOM 1037 C ASN A 69 2.283 -5.593 6.003 1.00 0.00 C ATOM 1038 O ASN A 69 1.458 -6.457 6.291 1.00 0.00 O ATOM 1039 CB ASN A 69 2.019 -3.982 7.863 1.00 0.00 C ATOM 1040 CG ASN A 69 3.404 -4.109 8.462 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.389 -3.674 7.878 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.490 -4.733 9.619 1.00 0.00 N ATOM 0 H ASN A 69 -0.011 -3.725 6.488 1.00 0.00 H new ATOM 0 HA ASN A 69 2.798 -3.511 5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.603 -3.008 8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.365 -4.734 8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.400 -4.868 10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.646 -5.081 10.075 1.00 0.00 H new ATOM 1049 N TYR A 70 3.400 -5.861 5.367 1.00 0.00 N ATOM 1050 CA TYR A 70 3.799 -7.223 5.100 1.00 0.00 C ATOM 1051 C TYR A 70 4.649 -7.756 6.238 1.00 0.00 C ATOM 1052 O TYR A 70 5.093 -7.004 7.107 1.00 0.00 O ATOM 1053 CB TYR A 70 4.593 -7.309 3.796 1.00 0.00 C ATOM 1054 CG TYR A 70 3.763 -7.452 2.543 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.570 -6.385 1.674 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.189 -8.673 2.218 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.830 -6.535 0.523 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.446 -8.827 1.069 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.271 -7.755 0.226 1.00 0.00 C ATOM 1060 OH TYR A 70 1.541 -7.908 -0.925 1.00 0.00 O ATOM 0 H TYR A 70 4.049 -5.153 5.025 1.00 0.00 H new ATOM 0 HA TYR A 70 2.895 -7.825 5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.208 -6.414 3.705 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.274 -8.158 3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.007 -5.425 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.327 -9.517 2.878 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.689 -5.697 -0.144 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.004 -9.783 0.832 1.00 0.00 H new ATOM 0 HH TYR A 70 0.852 -8.592 -0.787 1.00 0.00 H new ATOM 1070 N VAL A 71 4.861 -9.062 6.230 1.00 0.00 N ATOM 1071 CA VAL A 71 5.734 -9.703 7.200 1.00 0.00 C ATOM 1072 C VAL A 71 7.177 -9.631 6.716 1.00 0.00 C ATOM 1073 O VAL A 71 8.110 -10.047 7.403 1.00 0.00 O ATOM 1074 CB VAL A 71 5.342 -11.175 7.419 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.895 -11.269 7.875 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.565 -11.991 6.153 1.00 0.00 C ATOM 0 H VAL A 71 4.438 -9.702 5.558 1.00 0.00 H new ATOM 0 HA VAL A 71 5.631 -9.176 8.148 1.00 0.00 H new ATOM 0 HB VAL A 71 5.980 -11.590 8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.629 -12.315 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.772 -10.724 8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.245 -10.836 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.281 -13.028 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.957 -11.583 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.617 -11.947 5.872 1.00 0.00 H new ATOM 1086 N THR A 72 7.328 -9.104 5.513 1.00 0.00 N ATOM 1087 CA THR A 72 8.613 -8.972 4.856 1.00 0.00 C ATOM 1088 C THR A 72 8.710 -7.627 4.159 1.00 0.00 C ATOM 1089 O THR A 72 7.706 -7.079 3.709 1.00 0.00 O ATOM 1090 CB THR A 72 8.782 -10.052 3.780 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.520 -10.295 3.153 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.341 -11.345 4.336 1.00 0.00 C ATOM 0 H THR A 72 6.548 -8.751 4.958 1.00 0.00 H new ATOM 0 HA THR A 72 9.383 -9.070 5.621 1.00 0.00 H new ATOM 0 HB THR A 72 9.503 -9.682 3.051 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.535 -11.173 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.440 -12.074 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.319 -11.158 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.666 -11.735 5.098 1.00 0.00 H new ATOM 1100 N ALA A 73 9.914 -7.093 4.072 1.00 0.00 N ATOM 1101 CA ALA A 73 10.160 -5.953 3.210 1.00 0.00 C ATOM 1102 C ALA A 73 10.411 -6.478 1.805 1.00 0.00 C ATOM 1103 O ALA A 73 10.364 -5.743 0.817 1.00 0.00 O ATOM 1104 CB ALA A 73 11.336 -5.125 3.708 1.00 0.00 C ATOM 0 H ALA A 73 10.731 -7.427 4.583 1.00 0.00 H new ATOM 0 HA ALA A 73 9.294 -5.291 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.494 -4.278 3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.124 -4.760 4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.233 -5.743 3.729 1.00 0.00 H new ATOM 1110 N LYS A 74 10.663 -7.781 1.754 1.00 0.00 N ATOM 1111 CA LYS A 74 10.852 -8.516 0.515 1.00 0.00 C ATOM 1112 C LYS A 74 9.550 -8.592 -0.286 1.00 0.00 C ATOM 1113 O LYS A 74 9.513 -8.211 -1.455 1.00 0.00 O ATOM 1114 CB LYS A 74 11.395 -9.910 0.856 1.00 0.00 C ATOM 1115 CG LYS A 74 11.346 -10.900 -0.287 1.00 0.00 C ATOM 1116 CD LYS A 74 10.236 -11.907 -0.071 1.00 0.00 C ATOM 1117 CE LYS A 74 9.742 -12.460 -1.391 1.00 0.00 C ATOM 1118 NZ LYS A 74 10.767 -13.295 -2.070 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.742 -8.363 2.588 1.00 0.00 H new ATOM 0 HA LYS A 74 11.572 -7.997 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.428 -9.812 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.825 -10.313 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.187 -10.371 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.302 -11.417 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.596 -12.722 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.410 -11.435 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.846 -13.056 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.457 -11.635 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.384 -13.652 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.614 -12.721 -2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.021 -14.097 -1.459 1.00 0.00 H new ATOM 1132 N ASP A 75 8.479 -9.062 0.346 1.00 0.00 N ATOM 1133 CA ASP A 75 7.180 -9.155 -0.323 1.00 0.00 C ATOM 1134 C ASP A 75 6.547 -7.775 -0.459 1.00 0.00 C ATOM 1135 O ASP A 75 5.636 -7.578 -1.257 1.00 0.00 O ATOM 1136 CB ASP A 75 6.237 -10.110 0.416 1.00 0.00 C ATOM 1137 CG ASP A 75 6.678 -11.560 0.312 1.00 0.00 C ATOM 1138 OD1 ASP A 75 7.250 -12.085 1.295 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.475 -12.177 -0.754 1.00 0.00 O1- ATOM 0 H ASP A 75 8.481 -9.383 1.314 1.00 0.00 H new ATOM 0 HA ASP A 75 7.348 -9.561 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.186 -9.824 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.231 -10.010 0.009 1.00 0.00 H new ATOM 1144 N ALA A 76 7.045 -6.819 0.314 1.00 0.00 N ATOM 1145 CA ALA A 76 6.622 -5.430 0.179 1.00 0.00 C ATOM 1146 C ALA A 76 7.051 -4.892 -1.179 1.00 0.00 C ATOM 1147 O ALA A 76 6.229 -4.408 -1.956 1.00 0.00 O ATOM 1148 CB ALA A 76 7.207 -4.589 1.308 1.00 0.00 C ATOM 0 H ALA A 76 7.742 -6.979 1.041 1.00 0.00 H new ATOM 0 HA ALA A 76 5.535 -5.376 0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.884 -3.554 1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.861 -4.975 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.295 -4.635 1.270 1.00 0.00 H new ATOM 1154 N GLU A 77 8.341 -5.002 -1.464 1.00 0.00 N ATOM 1155 CA GLU A 77 8.878 -4.681 -2.782 1.00 0.00 C ATOM 1156 C GLU A 77 8.189 -5.529 -3.844 1.00 0.00 C ATOM 1157 O GLU A 77 7.886 -5.050 -4.937 1.00 0.00 O ATOM 1158 CB GLU A 77 10.386 -4.950 -2.790 1.00 0.00 C ATOM 1159 CG GLU A 77 11.013 -4.962 -4.172 1.00 0.00 C ATOM 1160 CD GLU A 77 12.464 -5.387 -4.136 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.340 -4.522 -3.935 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.738 -6.596 -4.299 1.00 0.00 O1- ATOM 0 H GLU A 77 9.043 -5.314 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 77 8.697 -3.629 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.882 -4.190 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.574 -5.911 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.453 -5.639 -4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.938 -3.968 -4.612 1.00 0.00 H new ATOM 1169 N ARG A 78 7.906 -6.778 -3.485 1.00 0.00 N ATOM 1170 CA ARG A 78 7.297 -7.734 -4.388 1.00 0.00 C ATOM 1171 C ARG A 78 5.924 -7.234 -4.809 1.00 0.00 C ATOM 1172 O ARG A 78 5.537 -7.341 -5.973 1.00 0.00 O ATOM 1173 CB ARG A 78 7.198 -9.076 -3.674 1.00 0.00 C ATOM 1174 CG ARG A 78 6.883 -10.268 -4.554 1.00 0.00 C ATOM 1175 CD ARG A 78 6.899 -11.540 -3.724 1.00 0.00 C ATOM 1176 NE ARG A 78 6.663 -12.745 -4.510 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.493 -13.952 -3.971 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.441 -14.096 -2.651 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.351 -15.017 -4.748 1.00 0.00 N ATOM 0 H ARG A 78 8.096 -7.151 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 78 7.901 -7.853 -5.287 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.142 -9.265 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.428 -9.002 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.906 -10.139 -5.020 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.613 -10.340 -5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.862 -11.625 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.139 -11.467 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 78 6.626 -12.660 -5.526 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.531 -13.280 -2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.311 -15.022 -2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.372 -14.914 -5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.221 -15.939 -4.331 1.00 0.00 H new ATOM 1193 N ALA A 79 5.207 -6.650 -3.857 1.00 0.00 N ATOM 1194 CA ALA A 79 3.900 -6.087 -4.129 1.00 0.00 C ATOM 1195 C ALA A 79 4.020 -4.830 -4.976 1.00 0.00 C ATOM 1196 O ALA A 79 3.146 -4.533 -5.780 1.00 0.00 O ATOM 1197 CB ALA A 79 3.143 -5.798 -2.835 1.00 0.00 C ATOM 0 H ALA A 79 5.514 -6.556 -2.889 1.00 0.00 H new ATOM 0 HA ALA A 79 3.329 -6.825 -4.692 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.166 -5.376 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.013 -6.724 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.709 -5.087 -2.233 1.00 0.00 H new ATOM 1203 N ILE A 80 5.101 -4.090 -4.807 1.00 0.00 N ATOM 1204 CA ILE A 80 5.294 -2.875 -5.583 1.00 0.00 C ATOM 1205 C ILE A 80 5.555 -3.152 -7.055 1.00 0.00 C ATOM 1206 O ILE A 80 5.088 -2.420 -7.922 1.00 0.00 O ATOM 1207 CB ILE A 80 6.431 -2.031 -5.029 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.222 -1.801 -3.540 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.491 -0.705 -5.759 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.310 -0.992 -2.901 1.00 0.00 C ATOM 0 H ILE A 80 5.850 -4.304 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 80 4.357 -2.324 -5.499 1.00 0.00 H new ATOM 0 HB ILE A 80 7.374 -2.557 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.268 -1.296 -3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.155 -2.766 -3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.308 -0.105 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.659 -0.882 -6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.549 -0.173 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.095 -0.868 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.264 -1.506 -3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.363 -0.013 -3.378 1.00 0.00 H new ATOM 1222 N ASN A 81 6.294 -4.188 -7.361 1.00 0.00 N ATOM 1223 CA ASN A 81 6.568 -4.466 -8.755 1.00 0.00 C ATOM 1224 C ASN A 81 5.438 -5.254 -9.385 1.00 0.00 C ATOM 1225 O ASN A 81 5.170 -5.137 -10.580 1.00 0.00 O ATOM 1226 CB ASN A 81 7.895 -5.189 -8.939 1.00 0.00 C ATOM 1227 CG ASN A 81 8.056 -6.439 -8.102 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.451 -7.478 -8.374 1.00 0.00 O ATOM 1229 ND2 ASN A 81 8.923 -6.355 -7.107 1.00 0.00 N ATOM 0 H ASN A 81 6.707 -4.837 -6.691 1.00 0.00 H new ATOM 0 HA ASN A 81 6.644 -3.506 -9.265 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.005 -5.455 -9.990 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.705 -4.500 -8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.115 -7.172 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.400 -5.473 -6.919 1.00 0.00 H new ATOM 1236 N THR A 82 4.776 -6.051 -8.576 1.00 0.00 N ATOM 1237 CA THR A 82 3.709 -6.897 -9.054 1.00 0.00 C ATOM 1238 C THR A 82 2.330 -6.224 -8.951 1.00 0.00 C ATOM 1239 O THR A 82 1.644 -6.039 -9.956 1.00 0.00 O ATOM 1240 CB THR A 82 3.727 -8.222 -8.282 1.00 0.00 C ATOM 1241 OG1 THR A 82 4.853 -9.009 -8.695 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.436 -9.010 -8.459 1.00 0.00 C ATOM 0 H THR A 82 4.961 -6.130 -7.576 1.00 0.00 H new ATOM 0 HA THR A 82 3.880 -7.085 -10.114 1.00 0.00 H new ATOM 0 HB THR A 82 3.814 -7.986 -7.221 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.677 -8.494 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.497 -9.940 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.596 -8.418 -8.095 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.290 -9.236 -9.515 1.00 0.00 H new ATOM 1250 N LEU A 83 1.947 -5.842 -7.737 1.00 0.00 N ATOM 1251 CA LEU A 83 0.592 -5.369 -7.457 1.00 0.00 C ATOM 1252 C LEU A 83 0.405 -3.882 -7.734 1.00 0.00 C ATOM 1253 O LEU A 83 -0.714 -3.425 -7.936 1.00 0.00 O ATOM 1254 CB LEU A 83 0.232 -5.645 -6.007 1.00 0.00 C ATOM 1255 CG LEU A 83 0.042 -7.118 -5.640 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.463 -7.240 -4.217 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.910 -7.815 -6.597 1.00 0.00 C ATOM 0 H LEU A 83 2.561 -5.851 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.067 -5.916 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.014 -5.229 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.688 -5.109 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 83 1.012 -7.609 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.595 -8.293 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.260 -6.792 -3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.418 -6.723 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.020 -8.859 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.883 -7.324 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.511 -7.762 -7.610 1.00 0.00 H new ATOM 1269 N ASN A 84 1.476 -3.113 -7.695 1.00 0.00 N ATOM 1270 CA ASN A 84 1.374 -1.687 -7.967 1.00 0.00 C ATOM 1271 C ASN A 84 0.990 -1.450 -9.424 1.00 0.00 C ATOM 1272 O ASN A 84 1.755 -1.744 -10.343 1.00 0.00 O ATOM 1273 CB ASN A 84 2.686 -1.006 -7.581 1.00 0.00 C ATOM 1274 CG ASN A 84 2.800 0.438 -8.015 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.806 1.120 -8.248 1.00 0.00 O ATOM 1276 ND2 ASN A 84 4.031 0.915 -8.085 1.00 0.00 N ATOM 0 H ASN A 84 2.417 -3.443 -7.481 1.00 0.00 H new ATOM 0 HA ASN A 84 0.582 -1.244 -7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.801 -1.056 -6.498 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.513 -1.568 -8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.186 1.890 -8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.825 0.308 -7.882 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.216 -0.927 -9.609 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.801 -0.805 -10.929 1.00 0.00 C ATOM 1285 C GLY A 85 -1.710 -1.977 -11.240 1.00 0.00 C ATOM 1286 O GLY A 85 -1.885 -2.348 -12.400 1.00 0.00 O ATOM 0 H GLY A 85 -0.807 -0.580 -8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.367 0.124 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.009 -0.748 -11.676 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.280 -2.569 -10.195 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.163 -3.717 -10.347 1.00 0.00 C ATOM 1292 C LEU A 86 -4.584 -3.247 -10.591 1.00 0.00 C ATOM 1293 O LEU A 86 -5.024 -2.260 -10.000 1.00 0.00 O ATOM 1294 CB LEU A 86 -3.128 -4.587 -9.083 1.00 0.00 C ATOM 1295 CG LEU A 86 -3.013 -6.101 -9.299 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.225 -6.651 -10.037 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.732 -6.430 -10.048 1.00 0.00 C ATOM 0 H LEU A 86 -2.144 -2.270 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.821 -4.307 -11.198 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.286 -4.265 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.034 -4.392 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.980 -6.580 -8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.111 -7.726 -10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.126 -6.452 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.308 -6.169 -11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.663 -7.508 -10.195 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.739 -5.932 -11.017 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.874 -6.087 -9.470 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.292 -3.947 -11.463 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.692 -3.659 -11.695 1.00 0.00 C ATOM 1311 C ARG A 87 -7.549 -4.302 -10.613 1.00 0.00 C ATOM 1312 O ARG A 87 -8.012 -5.433 -10.750 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.121 -4.137 -13.081 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.499 -3.327 -14.203 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.053 -1.912 -14.245 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.329 -1.073 -15.195 1.00 0.00 N ATOM 1317 CZ ARG A 87 -6.875 -0.082 -15.896 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.177 0.169 -15.812 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.114 0.647 -16.701 1.00 0.00 N ATOM 0 H ARG A 87 -4.918 -4.716 -12.019 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.834 -2.579 -11.653 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.845 -5.185 -13.200 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.207 -4.082 -13.159 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.418 -3.291 -14.071 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.687 -3.821 -15.156 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.108 -1.943 -14.518 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.994 -1.469 -13.251 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.335 -1.259 -15.331 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.768 -0.400 -15.206 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.585 0.931 -16.353 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.117 0.447 -16.780 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.526 1.408 -17.241 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.740 -3.564 -9.537 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.596 -3.978 -8.448 1.00 0.00 C ATOM 1335 C LEU A 88 -9.993 -3.437 -8.660 1.00 0.00 C ATOM 1336 O LEU A 88 -10.214 -2.233 -8.558 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.051 -3.469 -7.122 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.375 -4.523 -6.259 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.769 -3.882 -5.028 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.386 -5.583 -5.857 1.00 0.00 C ATOM 0 H LEU A 88 -7.301 -2.654 -9.395 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.626 -5.067 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.336 -2.671 -7.322 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.870 -3.027 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.577 -4.994 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.288 -4.647 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.029 -3.141 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.553 -3.396 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.897 -6.336 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.195 -5.119 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.793 -6.056 -6.751 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.925 -4.322 -8.976 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.310 -3.935 -9.217 1.00 0.00 C ATOM 1354 C GLN A 89 -12.393 -2.889 -10.326 1.00 0.00 C ATOM 1355 O GLN A 89 -13.202 -1.961 -10.260 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.931 -3.387 -7.945 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.919 -4.368 -6.785 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.665 -3.848 -5.576 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.660 -2.539 -5.403 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.229 -4.617 -4.799 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.747 -5.322 -9.073 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.862 -4.821 -9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.396 -2.484 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.961 -3.095 -8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.365 -5.309 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.887 -4.583 -6.506 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.208 -5.622 -4.971 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.718 -4.249 -3.983 1.00 0.00 H new ATOM 1369 N SER A 90 -11.501 -3.040 -11.304 1.00 0.00 N ATOM 1370 CA SER A 90 -11.425 -2.181 -12.495 1.00 0.00 C ATOM 1371 C SER A 90 -10.645 -0.897 -12.201 1.00 0.00 C ATOM 1372 O SER A 90 -10.402 -0.078 -13.087 1.00 0.00 O ATOM 1373 CB SER A 90 -12.827 -1.859 -13.025 1.00 0.00 C ATOM 1374 OG SER A 90 -12.799 -1.488 -14.394 1.00 0.00 O ATOM 0 H SER A 90 -10.795 -3.776 -11.295 1.00 0.00 H new ATOM 0 HA SER A 90 -10.887 -2.729 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.473 -2.728 -12.897 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.261 -1.050 -12.438 1.00 0.00 H new ATOM 0 HG SER A 90 -12.039 -0.891 -14.556 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.246 -0.747 -10.954 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.454 0.397 -10.510 1.00 0.00 C ATOM 1382 C LYS A 91 -7.975 0.061 -10.551 1.00 0.00 C ATOM 1383 O LYS A 91 -7.596 -1.092 -10.423 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.883 0.778 -9.089 1.00 0.00 C ATOM 1385 CG LYS A 91 -8.993 1.705 -8.336 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.038 3.038 -8.973 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.089 4.130 -7.946 1.00 0.00 C ATOM 1388 NZ LYS A 91 -10.125 3.916 -6.923 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.459 -1.414 -10.213 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.625 1.242 -11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.873 1.231 -9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.984 -0.139 -8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.314 1.773 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.972 1.325 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.160 3.171 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.911 3.104 -9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.117 4.207 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.272 5.081 -8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.708 4.773 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.727 3.115 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.673 3.709 -6.009 1.00 0.00 H new ATOM 1402 N THR A 92 -7.148 1.067 -10.739 1.00 0.00 N ATOM 1403 CA THR A 92 -5.708 0.861 -10.709 1.00 0.00 C ATOM 1404 C THR A 92 -5.119 1.498 -9.462 1.00 0.00 C ATOM 1405 O THR A 92 -5.285 2.692 -9.220 1.00 0.00 O ATOM 1406 CB THR A 92 -4.988 1.412 -11.951 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.927 1.631 -13.015 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.908 0.441 -12.420 1.00 0.00 C ATOM 0 H THR A 92 -7.440 2.029 -10.913 1.00 0.00 H new ATOM 0 HA THR A 92 -5.551 -0.218 -10.700 1.00 0.00 H new ATOM 0 HB THR A 92 -4.522 2.359 -11.680 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.457 1.983 -13.799 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.410 0.848 -13.300 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.178 0.297 -11.624 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.364 -0.516 -12.672 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.453 0.681 -8.675 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.924 1.085 -7.388 1.00 0.00 C ATOM 1418 C ILE A 93 -2.422 1.333 -7.467 1.00 0.00 C ATOM 1419 O ILE A 93 -1.786 0.965 -8.453 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.212 -0.020 -6.374 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.440 -1.279 -6.789 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.722 -0.273 -6.334 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.601 -2.444 -5.852 1.00 0.00 C ATOM 0 H ILE A 93 -4.261 -0.292 -8.912 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.402 2.015 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.888 0.269 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.769 -1.580 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.381 -1.033 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.940 -1.061 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.236 0.642 -6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.066 -0.580 -7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.022 -3.291 -6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.244 -2.165 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.653 -2.722 -5.794 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.852 1.968 -6.450 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.413 2.186 -6.420 1.00 0.00 C ATOM 1437 C LYS A 94 0.145 1.865 -5.046 1.00 0.00 C ATOM 1438 O LYS A 94 -0.141 2.553 -4.068 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.044 3.618 -6.817 1.00 0.00 C ATOM 1440 CG LYS A 94 1.458 3.850 -6.853 1.00 0.00 C ATOM 1441 CD LYS A 94 1.811 5.209 -7.429 1.00 0.00 C ATOM 1442 CE LYS A 94 1.471 5.297 -8.907 1.00 0.00 C ATOM 1443 NZ LYS A 94 2.042 6.515 -9.532 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.358 2.337 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 94 0.032 1.513 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.465 3.838 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.498 4.314 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.861 3.768 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.931 3.070 -7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.274 5.986 -6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.875 5.399 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.850 4.413 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.388 5.298 -9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.788 6.539 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.661 7.359 -9.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.077 6.502 -9.436 1.00 0.00 H new ATOM 1457 N VAL A 95 0.941 0.813 -4.985 1.00 0.00 N ATOM 1458 CA VAL A 95 1.514 0.356 -3.733 1.00 0.00 C ATOM 1459 C VAL A 95 2.972 0.819 -3.621 1.00 0.00 C ATOM 1460 O VAL A 95 3.698 0.876 -4.617 1.00 0.00 O ATOM 1461 CB VAL A 95 1.403 -1.183 -3.592 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.469 -1.767 -4.641 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.760 -1.836 -3.653 1.00 0.00 C ATOM 0 H VAL A 95 1.207 0.255 -5.796 1.00 0.00 H new ATOM 0 HA VAL A 95 0.947 0.797 -2.914 1.00 0.00 H new ATOM 0 HB VAL A 95 0.976 -1.393 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.412 -2.848 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.525 -1.335 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.850 -1.536 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.649 -2.916 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.231 -1.608 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.383 -1.457 -2.843 1.00 0.00 H new ATOM 1473 N SER A 96 3.371 1.173 -2.412 1.00 0.00 N ATOM 1474 CA SER A 96 4.716 1.646 -2.111 1.00 0.00 C ATOM 1475 C SER A 96 4.943 1.519 -0.612 1.00 0.00 C ATOM 1476 O SER A 96 3.991 1.373 0.133 1.00 0.00 O ATOM 1477 CB SER A 96 4.880 3.113 -2.526 1.00 0.00 C ATOM 1478 OG SER A 96 4.707 3.285 -3.922 1.00 0.00 O ATOM 0 H SER A 96 2.760 1.140 -1.596 1.00 0.00 H new ATOM 0 HA SER A 96 5.441 1.049 -2.664 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.154 3.726 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.870 3.465 -2.236 1.00 0.00 H new ATOM 0 HG SER A 96 4.462 2.428 -4.329 1.00 0.00 H new ATOM 1484 N TYR A 97 6.188 1.559 -0.165 1.00 0.00 N ATOM 1485 CA TYR A 97 6.464 1.540 1.271 1.00 0.00 C ATOM 1486 C TYR A 97 5.892 2.794 1.902 1.00 0.00 C ATOM 1487 O TYR A 97 6.282 3.910 1.533 1.00 0.00 O ATOM 1488 CB TYR A 97 7.964 1.486 1.552 1.00 0.00 C ATOM 1489 CG TYR A 97 8.749 0.631 0.588 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.621 -0.752 0.561 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.623 1.226 -0.300 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.351 -1.512 -0.336 1.00 0.00 C ATOM 1493 CE2 TYR A 97 10.354 0.485 -1.196 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.217 -0.887 -1.215 1.00 0.00 C ATOM 1495 OH TYR A 97 10.942 -1.638 -2.112 1.00 0.00 O ATOM 0 H TYR A 97 7.015 1.604 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 97 6.003 0.648 1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.363 2.500 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.118 1.108 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.944 -1.239 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.735 2.300 -0.290 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.245 -2.587 -0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.031 0.973 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 97 11.501 -1.046 -2.657 1.00 0.00 H new ATOM 1505 N ALA A 98 4.959 2.614 2.824 1.00 0.00 N ATOM 1506 CA ALA A 98 4.362 3.736 3.521 1.00 0.00 C ATOM 1507 C ALA A 98 5.390 4.336 4.458 1.00 0.00 C ATOM 1508 O ALA A 98 5.719 3.740 5.482 1.00 0.00 O ATOM 1509 CB ALA A 98 3.112 3.309 4.276 1.00 0.00 C ATOM 0 H ALA A 98 4.601 1.701 3.105 1.00 0.00 H new ATOM 0 HA ALA A 98 4.054 4.489 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.685 4.170 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.382 2.907 3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.372 2.543 5.007 1.00 0.00 H new