USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=25 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 :FLIP amide:sc= -0.353 F(o=-0.88,f=-0.35) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot -27:sc= 0.206 USER MOD Set 2.2: A 69 ASN : amide:sc= -0.503 X(o=-0.3,f=0.18) USER MOD Single : A 23 ASN :FLIP amide:sc=-0.000411 F(o=-2.3,f=-0.00041) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc=-0.00411 F(o=-1,f=-0.0041) USER MOD Single : A 32 ASN : amide:sc= 0.173 K(o=0.17,f=-4.3!) USER MOD Single : A 33 MET CE :methyl 163:sc= -3.59! (180deg=-4.58) USER MOD Single : A 34 THR OG1 : rot -160:sc= -2.14! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.26! C(o=-5.7!,f=-4.3!) USER MOD Single : A 40 SER OG : rot -80:sc= 0.495 USER MOD Single : A 43 SER OG : rot 31:sc= 0.321 USER MOD Single : A 44 SER OG : rot -73:sc= 1.23 USER MOD Single : A 50 SER OG : rot -109:sc= 1.28 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 28:sc= 0.0198 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0284 USER MOD Single : A 70 TYR OH : rot 15:sc= -1.52 USER MOD Single : A 72 THR OG1 : rot -156:sc= 0.0186 USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00252) USER MOD Single : A 84 ASN : amide:sc= -4.27! C(o=-4.3!,f=-12!) USER MOD Single : A 89 GLN :FLIP amide:sc= -2.01! C(o=-3.5!,f=-2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.648) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= -0.529 (180deg=-1.38) USER MOD Single : A 96 SER OG : rot -19:sc= 0.584 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.269 -2.275 5.869 1.00 0.00 N ATOM 302 CA THR A 22 7.272 -3.313 5.707 1.00 0.00 C ATOM 303 C THR A 22 5.909 -2.687 5.448 1.00 0.00 C ATOM 304 O THR A 22 4.992 -3.335 4.945 1.00 0.00 O ATOM 305 CB THR A 22 7.209 -4.203 6.963 1.00 0.00 C ATOM 306 OG1 THR A 22 6.971 -3.393 8.123 1.00 0.00 O ATOM 307 CG2 THR A 22 8.507 -4.968 7.146 1.00 0.00 C ATOM 0 HA THR A 22 7.551 -3.933 4.855 1.00 0.00 H new ATOM 0 HB THR A 22 6.394 -4.915 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.318 -2.490 7.968 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.440 -5.590 8.039 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.682 -5.600 6.276 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.332 -4.264 7.255 1.00 0.00 H new ATOM 315 N ASN A 23 5.795 -1.411 5.789 1.00 0.00 N ATOM 316 CA ASN A 23 4.555 -0.671 5.608 1.00 0.00 C ATOM 317 C ASN A 23 4.403 -0.275 4.154 1.00 0.00 C ATOM 318 O ASN A 23 5.202 0.497 3.625 1.00 0.00 O ATOM 319 CB ASN A 23 4.568 0.595 6.457 1.00 0.00 C ATOM 320 CG ASN A 23 3.177 1.057 6.861 1.00 0.00 C ATOM 321 OD1 ASN A 23 2.176 0.786 6.032 1.00 0.00 O flip ATOM 322 ND2 ASN A 23 2.999 1.656 7.924 1.00 0.00 N flip ATOM 0 H ASN A 23 6.553 -0.863 6.196 1.00 0.00 H new ATOM 0 HA ASN A 23 3.725 -1.308 5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.160 0.417 7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.062 1.392 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.789 1.849 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.061 1.959 8.188 1.00 0.00 H new ATOM 329 N LEU A 24 3.385 -0.792 3.509 1.00 0.00 N ATOM 330 CA LEU A 24 3.144 -0.462 2.124 1.00 0.00 C ATOM 331 C LEU A 24 1.907 0.393 1.980 1.00 0.00 C ATOM 332 O LEU A 24 0.795 -0.035 2.275 1.00 0.00 O ATOM 333 CB LEU A 24 3.005 -1.736 1.300 1.00 0.00 C ATOM 334 CG LEU A 24 3.909 -1.823 0.076 1.00 0.00 C ATOM 335 CD1 LEU A 24 5.364 -1.631 0.458 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.725 -3.158 -0.599 1.00 0.00 C ATOM 0 H LEU A 24 2.712 -1.440 3.918 1.00 0.00 H new ATOM 0 HA LEU A 24 3.995 0.109 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.211 -2.590 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.969 -1.826 0.973 1.00 0.00 H new ATOM 0 HG LEU A 24 3.632 -1.026 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.986 -1.698 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.493 -0.651 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.660 -2.406 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.373 -3.216 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.983 -3.956 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.686 -3.269 -0.909 1.00 0.00 H new ATOM 348 N ILE A 25 2.115 1.615 1.543 1.00 0.00 N ATOM 349 CA ILE A 25 1.023 2.494 1.234 1.00 0.00 C ATOM 350 C ILE A 25 0.529 2.164 -0.168 1.00 0.00 C ATOM 351 O ILE A 25 1.325 1.970 -1.087 1.00 0.00 O ATOM 352 CB ILE A 25 1.438 3.978 1.328 1.00 0.00 C ATOM 353 CG1 ILE A 25 0.193 4.857 1.303 1.00 0.00 C ATOM 354 CG2 ILE A 25 2.420 4.349 0.221 1.00 0.00 C ATOM 355 CD1 ILE A 25 0.479 6.338 1.309 1.00 0.00 C ATOM 0 H ILE A 25 3.040 2.020 1.395 1.00 0.00 H new ATOM 0 HA ILE A 25 0.226 2.345 1.963 1.00 0.00 H new ATOM 0 HB ILE A 25 1.957 4.144 2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.391 4.615 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.426 4.615 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.693 5.400 0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.315 3.732 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.955 4.180 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.461 6.890 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.034 6.598 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.070 6.598 0.431 1.00 0.00 H new ATOM 367 N VAL A 26 -0.766 2.038 -0.324 1.00 0.00 N ATOM 368 CA VAL A 26 -1.325 1.696 -1.611 1.00 0.00 C ATOM 369 C VAL A 26 -2.306 2.758 -2.037 1.00 0.00 C ATOM 370 O VAL A 26 -3.370 2.921 -1.440 1.00 0.00 O ATOM 371 CB VAL A 26 -2.018 0.332 -1.585 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.360 -0.112 -2.999 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.122 -0.678 -0.910 1.00 0.00 C ATOM 0 H VAL A 26 -1.451 2.166 0.420 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.505 1.639 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.947 0.411 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.853 -1.084 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.027 0.618 -3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.446 -0.188 -3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.617 -1.649 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.185 -0.758 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.916 -0.357 0.111 1.00 0.00 H new ATOM 383 N ASN A 27 -1.930 3.492 -3.055 1.00 0.00 N ATOM 384 CA ASN A 27 -2.747 4.575 -3.544 1.00 0.00 C ATOM 385 C ASN A 27 -3.594 4.097 -4.700 1.00 0.00 C ATOM 386 O ASN A 27 -3.399 2.991 -5.205 1.00 0.00 O ATOM 387 CB ASN A 27 -1.873 5.741 -4.000 1.00 0.00 C ATOM 388 CG ASN A 27 -2.337 7.069 -3.440 1.00 0.00 C ATOM 389 OD1 ASN A 27 -3.228 7.713 -3.996 1.00 0.00 O ATOM 390 ND2 ASN A 27 -1.711 7.501 -2.359 1.00 0.00 N ATOM 0 H ASN A 27 -1.057 3.358 -3.564 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.393 4.914 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.843 5.561 -3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.876 5.789 -5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.960 8.402 -1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.979 6.933 -1.932 1.00 0.00 H new ATOM 397 N TYR A 28 -4.525 4.941 -5.106 1.00 0.00 N ATOM 398 CA TYR A 28 -5.371 4.685 -6.266 1.00 0.00 C ATOM 399 C TYR A 28 -6.216 3.427 -6.082 1.00 0.00 C ATOM 400 O TYR A 28 -6.501 2.714 -7.043 1.00 0.00 O ATOM 401 CB TYR A 28 -4.515 4.581 -7.530 1.00 0.00 C ATOM 402 CG TYR A 28 -3.630 5.788 -7.751 1.00 0.00 C ATOM 403 CD1 TYR A 28 -2.294 5.750 -7.383 1.00 0.00 C ATOM 404 CD2 TYR A 28 -4.127 6.962 -8.300 1.00 0.00 C ATOM 405 CE1 TYR A 28 -1.474 6.843 -7.553 1.00 0.00 C ATOM 406 CE2 TYR A 28 -3.309 8.065 -8.479 1.00 0.00 C ATOM 407 CZ TYR A 28 -1.984 7.998 -8.103 1.00 0.00 C ATOM 408 OH TYR A 28 -1.165 9.092 -8.271 1.00 0.00 O ATOM 0 H TYR A 28 -4.719 5.828 -4.641 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.058 5.525 -6.371 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.892 3.689 -7.467 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.168 4.454 -8.394 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.888 4.845 -6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.166 7.016 -8.591 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.437 6.795 -7.257 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.706 8.972 -8.910 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.677 9.825 -8.672 1.00 0.00 H new ATOM 418 N LEU A 29 -6.612 3.165 -4.845 1.00 0.00 N ATOM 419 CA LEU A 29 -7.527 2.071 -4.551 1.00 0.00 C ATOM 420 C LEU A 29 -8.909 2.414 -5.078 1.00 0.00 C ATOM 421 O LEU A 29 -9.285 3.586 -5.117 1.00 0.00 O ATOM 422 CB LEU A 29 -7.613 1.829 -3.042 1.00 0.00 C ATOM 423 CG LEU A 29 -6.312 1.412 -2.364 1.00 0.00 C ATOM 424 CD1 LEU A 29 -6.574 1.002 -0.927 1.00 0.00 C ATOM 425 CD2 LEU A 29 -5.652 0.279 -3.129 1.00 0.00 C ATOM 0 H LEU A 29 -6.313 3.696 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.154 1.167 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.973 2.741 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.361 1.057 -2.858 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.634 2.265 -2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.636 0.707 -0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.005 1.842 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.269 0.162 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.725 -0.005 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.324 -0.578 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.432 0.606 -4.145 1.00 0.00 H new ATOM 437 N PRO A 30 -9.683 1.405 -5.506 1.00 0.00 N ATOM 438 CA PRO A 30 -11.063 1.620 -5.924 1.00 0.00 C ATOM 439 C PRO A 30 -11.872 2.227 -4.787 1.00 0.00 C ATOM 440 O PRO A 30 -11.763 1.792 -3.634 1.00 0.00 O ATOM 441 CB PRO A 30 -11.584 0.219 -6.254 1.00 0.00 C ATOM 442 CG PRO A 30 -10.368 -0.623 -6.439 1.00 0.00 C ATOM 443 CD PRO A 30 -9.278 -0.004 -5.613 1.00 0.00 C ATOM 0 HA PRO A 30 -11.140 2.305 -6.768 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.210 -0.167 -5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.195 0.230 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.557 -1.649 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.081 -0.661 -7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.201 -0.475 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.304 -0.106 -6.093 1.00 0.00 H new ATOM 451 N GLN A 31 -12.690 3.213 -5.111 1.00 0.00 N ATOM 452 CA GLN A 31 -13.385 3.995 -4.100 1.00 0.00 C ATOM 453 C GLN A 31 -14.430 3.153 -3.368 1.00 0.00 C ATOM 454 O GLN A 31 -14.901 3.521 -2.292 1.00 0.00 O ATOM 455 CB GLN A 31 -14.046 5.210 -4.739 1.00 0.00 C ATOM 456 CG GLN A 31 -13.127 5.952 -5.693 1.00 0.00 C ATOM 457 CD GLN A 31 -11.839 6.459 -5.059 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.879 6.807 -3.785 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -10.811 6.550 -5.730 1.00 0.00 N flip ATOM 0 H GLN A 31 -12.891 3.493 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.649 4.330 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.938 4.890 -5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.374 5.892 -3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.874 5.291 -6.522 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.668 6.799 -6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.816 6.272 -6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.954 6.903 -5.305 1.00 0.00 H new ATOM 468 N ASN A 32 -14.780 2.018 -3.963 1.00 0.00 N ATOM 469 CA ASN A 32 -15.779 1.125 -3.395 1.00 0.00 C ATOM 470 C ASN A 32 -15.146 -0.163 -2.866 1.00 0.00 C ATOM 471 O ASN A 32 -15.853 -1.104 -2.507 1.00 0.00 O ATOM 472 CB ASN A 32 -16.841 0.780 -4.446 1.00 0.00 C ATOM 473 CG ASN A 32 -16.296 -0.063 -5.590 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.122 0.039 -5.955 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.144 -0.899 -6.168 1.00 0.00 N ATOM 0 H ASN A 32 -14.382 1.694 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.246 1.645 -2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.659 0.244 -3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.258 1.703 -4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.834 -1.486 -6.942 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.108 -0.956 -5.839 1.00 0.00 H new ATOM 482 N MET A 33 -13.817 -0.213 -2.819 1.00 0.00 N ATOM 483 CA MET A 33 -13.125 -1.411 -2.357 1.00 0.00 C ATOM 484 C MET A 33 -13.066 -1.446 -0.833 1.00 0.00 C ATOM 485 O MET A 33 -13.393 -0.460 -0.173 1.00 0.00 O ATOM 486 CB MET A 33 -11.718 -1.465 -2.935 1.00 0.00 C ATOM 487 CG MET A 33 -11.310 -2.859 -3.372 1.00 0.00 C ATOM 488 SD MET A 33 -9.660 -2.924 -4.082 1.00 0.00 S ATOM 489 CE MET A 33 -8.690 -2.133 -2.803 1.00 0.00 C ATOM 0 H MET A 33 -13.204 0.555 -3.093 1.00 0.00 H new ATOM 0 HA MET A 33 -13.683 -2.282 -2.702 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.656 -0.790 -3.788 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.011 -1.102 -2.189 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.356 -3.530 -2.514 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.028 -3.228 -4.104 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.635 -2.364 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.836 -1.054 -2.851 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.007 -2.499 -1.827 1.00 0.00 H new ATOM 499 N THR A 34 -12.654 -2.583 -0.282 1.00 0.00 N ATOM 500 CA THR A 34 -12.621 -2.765 1.163 1.00 0.00 C ATOM 501 C THR A 34 -11.205 -3.029 1.653 1.00 0.00 C ATOM 502 O THR A 34 -10.308 -3.290 0.844 1.00 0.00 O ATOM 503 CB THR A 34 -13.508 -3.949 1.597 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.895 -5.185 1.209 1.00 0.00 O ATOM 505 CG2 THR A 34 -14.878 -3.862 0.956 1.00 0.00 C ATOM 0 H THR A 34 -12.338 -3.393 -0.816 1.00 0.00 H new ATOM 0 HA THR A 34 -12.997 -1.841 1.602 1.00 0.00 H new ATOM 0 HB THR A 34 -13.618 -3.908 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.571 -5.894 1.190 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.485 -4.708 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.362 -2.933 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.774 -3.882 -0.129 1.00 0.00 H new ATOM 513 N GLN A 35 -11.003 -2.955 2.970 1.00 0.00 N ATOM 514 CA GLN A 35 -9.743 -3.381 3.568 1.00 0.00 C ATOM 515 C GLN A 35 -9.433 -4.795 3.140 1.00 0.00 C ATOM 516 O GLN A 35 -8.334 -5.087 2.721 1.00 0.00 O ATOM 517 CB GLN A 35 -9.776 -3.372 5.097 1.00 0.00 C ATOM 518 CG GLN A 35 -10.048 -2.025 5.740 1.00 0.00 C ATOM 519 CD GLN A 35 -11.497 -1.577 5.624 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.419 -2.530 5.584 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -11.788 -0.382 5.574 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.692 -2.606 3.636 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.988 -2.672 3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.540 -4.074 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.820 -3.744 5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.774 -2.073 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.406 -1.275 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.052 0.324 5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.765 -0.098 5.499 1.00 0.00 H new ATOM 530 N ASP A 36 -10.433 -5.656 3.243 1.00 0.00 N ATOM 531 CA ASP A 36 -10.278 -7.081 2.969 1.00 0.00 C ATOM 532 C ASP A 36 -9.799 -7.322 1.544 1.00 0.00 C ATOM 533 O ASP A 36 -9.003 -8.220 1.302 1.00 0.00 O ATOM 534 CB ASP A 36 -11.607 -7.792 3.208 1.00 0.00 C ATOM 535 CG ASP A 36 -11.537 -9.281 2.929 1.00 0.00 C ATOM 536 OD1 ASP A 36 -12.208 -9.740 1.984 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.810 -9.996 3.649 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.378 -5.389 3.519 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.522 -7.483 3.644 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.917 -7.635 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.372 -7.344 2.574 1.00 0.00 H new ATOM 542 N GLU A 37 -10.274 -6.512 0.609 1.00 0.00 N ATOM 543 CA GLU A 37 -9.847 -6.619 -0.782 1.00 0.00 C ATOM 544 C GLU A 37 -8.417 -6.109 -0.926 1.00 0.00 C ATOM 545 O GLU A 37 -7.568 -6.762 -1.535 1.00 0.00 O ATOM 546 CB GLU A 37 -10.775 -5.802 -1.678 1.00 0.00 C ATOM 547 CG GLU A 37 -12.248 -6.176 -1.564 1.00 0.00 C ATOM 548 CD GLU A 37 -12.561 -7.533 -2.158 1.00 0.00 C ATOM 549 OE1 GLU A 37 -13.065 -8.408 -1.423 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.310 -7.732 -3.364 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.955 -5.773 0.786 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.888 -7.665 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.660 -4.746 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.460 -5.924 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.539 -6.169 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.850 -5.418 -2.066 1.00 0.00 H new ATOM 557 N LEU A 38 -8.167 -4.940 -0.342 1.00 0.00 N ATOM 558 CA LEU A 38 -6.841 -4.342 -0.309 1.00 0.00 C ATOM 559 C LEU A 38 -5.869 -5.287 0.406 1.00 0.00 C ATOM 560 O LEU A 38 -4.704 -5.410 0.044 1.00 0.00 O ATOM 561 CB LEU A 38 -6.955 -2.970 0.402 1.00 0.00 C ATOM 562 CG LEU A 38 -5.670 -2.151 0.567 1.00 0.00 C ATOM 563 CD1 LEU A 38 -4.971 -2.500 1.865 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.748 -2.360 -0.621 1.00 0.00 C ATOM 0 H LEU A 38 -8.883 -4.381 0.122 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.450 -4.184 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.672 -2.363 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.376 -3.138 1.393 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.939 -1.096 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.062 -1.906 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.633 -2.286 2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.714 -3.559 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.841 -1.771 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.487 -3.415 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.253 -2.044 -1.534 1.00 0.00 H new ATOM 576 N ARG A 39 -6.388 -5.978 1.395 1.00 0.00 N ATOM 577 CA ARG A 39 -5.619 -6.895 2.203 1.00 0.00 C ATOM 578 C ARG A 39 -5.355 -8.185 1.429 1.00 0.00 C ATOM 579 O ARG A 39 -4.210 -8.600 1.313 1.00 0.00 O ATOM 580 CB ARG A 39 -6.392 -7.158 3.503 1.00 0.00 C ATOM 581 CG ARG A 39 -5.568 -7.674 4.668 1.00 0.00 C ATOM 582 CD ARG A 39 -5.275 -9.159 4.563 1.00 0.00 C ATOM 583 NE ARG A 39 -4.718 -9.671 5.818 1.00 0.00 N ATOM 584 CZ ARG A 39 -3.979 -10.778 5.934 1.00 0.00 C ATOM 585 NH1 ARG A 39 -3.653 -11.496 4.869 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.551 -11.156 7.128 1.00 0.00 N ATOM 0 H ARG A 39 -7.370 -5.918 1.664 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.648 -6.466 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.878 -6.231 3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.183 -7.879 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.628 -7.124 4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.099 -7.477 5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.190 -9.698 4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.573 -9.339 3.749 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.909 -9.141 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.967 -11.206 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.088 -12.339 4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.786 -10.603 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.986 -12.000 7.224 1.00 0.00 H new ATOM 600 N SER A 40 -6.405 -8.783 0.862 1.00 0.00 N ATOM 601 CA SER A 40 -6.293 -10.094 0.219 1.00 0.00 C ATOM 602 C SER A 40 -5.423 -10.046 -1.034 1.00 0.00 C ATOM 603 O SER A 40 -4.680 -10.983 -1.321 1.00 0.00 O ATOM 604 CB SER A 40 -7.679 -10.635 -0.129 1.00 0.00 C ATOM 605 OG SER A 40 -8.411 -9.704 -0.908 1.00 0.00 O ATOM 0 H SER A 40 -7.342 -8.381 0.835 1.00 0.00 H new ATOM 0 HA SER A 40 -5.810 -10.763 0.931 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.580 -11.573 -0.676 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.226 -10.857 0.787 1.00 0.00 H new ATOM 0 HG SER A 40 -8.797 -9.019 -0.323 1.00 0.00 H new ATOM 611 N LEU A 41 -5.519 -8.956 -1.779 1.00 0.00 N ATOM 612 CA LEU A 41 -4.704 -8.759 -2.963 1.00 0.00 C ATOM 613 C LEU A 41 -3.236 -8.704 -2.584 1.00 0.00 C ATOM 614 O LEU A 41 -2.386 -9.201 -3.307 1.00 0.00 O ATOM 615 CB LEU A 41 -5.168 -7.479 -3.658 1.00 0.00 C ATOM 616 CG LEU A 41 -4.657 -7.234 -5.076 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.466 -6.297 -5.062 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.297 -8.544 -5.768 1.00 0.00 C ATOM 0 H LEU A 41 -6.161 -8.188 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.820 -9.594 -3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.258 -7.486 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.871 -6.632 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.461 -6.764 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.118 -6.136 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.759 -5.343 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.664 -6.737 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.937 -8.336 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.517 -9.053 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.180 -9.181 -5.823 1.00 0.00 H new ATOM 630 N PHE A 42 -2.941 -8.123 -1.444 1.00 0.00 N ATOM 631 CA PHE A 42 -1.581 -8.111 -0.947 1.00 0.00 C ATOM 632 C PHE A 42 -1.247 -9.424 -0.249 1.00 0.00 C ATOM 633 O PHE A 42 -0.091 -9.829 -0.180 1.00 0.00 O ATOM 634 CB PHE A 42 -1.357 -6.891 -0.057 1.00 0.00 C ATOM 635 CG PHE A 42 -1.218 -5.641 -0.877 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.308 -5.128 -1.570 1.00 0.00 C ATOM 637 CD2 PHE A 42 0.008 -5.001 -0.994 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.174 -4.011 -2.357 1.00 0.00 C ATOM 639 CE2 PHE A 42 0.134 -3.873 -1.779 1.00 0.00 C ATOM 640 CZ PHE A 42 -0.955 -3.387 -2.458 1.00 0.00 C ATOM 0 H PHE A 42 -3.620 -7.654 -0.844 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.891 -8.026 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.192 -6.784 0.636 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.460 -7.036 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.270 -5.613 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.868 -5.388 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.026 -3.624 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.088 -3.373 -1.859 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.853 -2.507 -3.076 1.00 0.00 H new ATOM 650 N SER A 43 -2.273 -10.118 0.221 1.00 0.00 N ATOM 651 CA SER A 43 -2.102 -11.442 0.766 1.00 0.00 C ATOM 652 C SER A 43 -1.710 -12.409 -0.354 1.00 0.00 C ATOM 653 O SER A 43 -1.212 -13.507 -0.106 1.00 0.00 O ATOM 654 CB SER A 43 -3.401 -11.884 1.426 1.00 0.00 C ATOM 655 OG SER A 43 -3.881 -10.895 2.316 1.00 0.00 O ATOM 0 H SER A 43 -3.234 -9.778 0.232 1.00 0.00 H new ATOM 0 HA SER A 43 -1.310 -11.438 1.515 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.151 -12.085 0.661 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.239 -12.817 1.966 1.00 0.00 H new ATOM 0 HG SER A 43 -3.623 -10.008 1.989 1.00 0.00 H new ATOM 661 N SER A 44 -1.941 -11.976 -1.597 1.00 0.00 N ATOM 662 CA SER A 44 -1.561 -12.753 -2.763 1.00 0.00 C ATOM 663 C SER A 44 -0.041 -12.775 -2.875 1.00 0.00 C ATOM 664 O SER A 44 0.560 -13.805 -3.195 1.00 0.00 O ATOM 665 CB SER A 44 -2.194 -12.165 -4.037 1.00 0.00 C ATOM 666 OG SER A 44 -1.386 -11.150 -4.608 1.00 0.00 O ATOM 0 H SER A 44 -2.392 -11.087 -1.814 1.00 0.00 H new ATOM 0 HA SER A 44 -1.928 -13.774 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.348 -12.960 -4.766 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.176 -11.757 -3.799 1.00 0.00 H new ATOM 0 HG SER A 44 -1.439 -10.341 -4.057 1.00 0.00 H new ATOM 672 N ILE A 45 0.567 -11.626 -2.596 1.00 0.00 N ATOM 673 CA ILE A 45 2.020 -11.512 -2.537 1.00 0.00 C ATOM 674 C ILE A 45 2.582 -12.367 -1.410 1.00 0.00 C ATOM 675 O ILE A 45 3.547 -13.104 -1.598 1.00 0.00 O ATOM 676 CB ILE A 45 2.456 -10.040 -2.336 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.278 -9.267 -3.633 1.00 0.00 C ATOM 678 CG2 ILE A 45 3.904 -9.944 -1.861 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.364 -9.540 -4.639 1.00 0.00 C ATOM 0 H ILE A 45 0.071 -10.755 -2.406 1.00 0.00 H new ATOM 0 HA ILE A 45 2.416 -11.868 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 45 1.824 -9.603 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.313 -9.522 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.256 -8.200 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.175 -8.896 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.011 -10.467 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.561 -10.399 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.178 -8.958 -5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.329 -9.259 -4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.372 -10.601 -4.887 1.00 0.00 H new ATOM 691 N GLY A 46 1.951 -12.292 -0.253 1.00 0.00 N ATOM 692 CA GLY A 46 2.462 -12.986 0.905 1.00 0.00 C ATOM 693 C GLY A 46 1.663 -12.686 2.149 1.00 0.00 C ATOM 694 O GLY A 46 0.467 -12.412 2.070 1.00 0.00 O ATOM 0 H GLY A 46 1.094 -11.763 -0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.449 -14.060 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.502 -12.703 1.066 1.00 0.00 H new ATOM 698 N GLU A 47 2.319 -12.725 3.294 1.00 0.00 N ATOM 699 CA GLU A 47 1.638 -12.500 4.553 1.00 0.00 C ATOM 700 C GLU A 47 1.583 -11.033 4.904 1.00 0.00 C ATOM 701 O GLU A 47 2.606 -10.360 5.069 1.00 0.00 O ATOM 702 CB GLU A 47 2.291 -13.292 5.675 1.00 0.00 C ATOM 703 CG GLU A 47 1.789 -14.714 5.753 1.00 0.00 C ATOM 704 CD GLU A 47 2.694 -15.604 6.571 1.00 0.00 C ATOM 705 OE1 GLU A 47 2.430 -15.786 7.779 1.00 0.00 O ATOM 706 OE2 GLU A 47 3.673 -16.130 6.006 1.00 0.00 O1- ATOM 0 H GLU A 47 3.319 -12.910 3.377 1.00 0.00 H new ATOM 0 HA GLU A 47 0.613 -12.851 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.371 -13.300 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.102 -12.792 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.790 -14.719 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.700 -15.120 4.745 1.00 0.00 H new ATOM 713 N VAL A 48 0.368 -10.557 5.033 1.00 0.00 N ATOM 714 CA VAL A 48 0.119 -9.171 5.350 1.00 0.00 C ATOM 715 C VAL A 48 -0.041 -8.998 6.842 1.00 0.00 C ATOM 716 O VAL A 48 -0.936 -9.565 7.469 1.00 0.00 O ATOM 717 CB VAL A 48 -1.119 -8.644 4.608 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.467 -7.235 5.060 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.882 -8.695 3.108 1.00 0.00 C ATOM 0 H VAL A 48 -0.476 -11.119 4.921 1.00 0.00 H new ATOM 0 HA VAL A 48 0.978 -8.587 5.019 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.969 -9.283 4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.347 -6.886 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.676 -7.237 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.628 -6.570 4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.763 -8.320 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.021 -8.077 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.692 -9.724 2.804 1.00 0.00 H new ATOM 729 N GLU A 49 0.861 -8.211 7.386 1.00 0.00 N ATOM 730 CA GLU A 49 0.924 -7.952 8.799 1.00 0.00 C ATOM 731 C GLU A 49 -0.335 -7.219 9.255 1.00 0.00 C ATOM 732 O GLU A 49 -0.925 -7.556 10.280 1.00 0.00 O ATOM 733 CB GLU A 49 2.167 -7.134 9.093 1.00 0.00 C ATOM 734 CG GLU A 49 2.510 -7.072 10.563 1.00 0.00 C ATOM 735 CD GLU A 49 2.488 -5.664 11.122 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.411 -5.035 11.126 1.00 0.00 O ATOM 737 OE2 GLU A 49 3.547 -5.182 11.573 1.00 0.00 O1- ATOM 0 H GLU A 49 1.580 -7.728 6.847 1.00 0.00 H new ATOM 0 HA GLU A 49 0.979 -8.892 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.010 -7.559 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.023 -6.121 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.805 -7.688 11.120 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.500 -7.502 10.717 1.00 0.00 H new ATOM 744 N SER A 50 -0.745 -6.227 8.468 1.00 0.00 N ATOM 745 CA SER A 50 -1.976 -5.487 8.726 1.00 0.00 C ATOM 746 C SER A 50 -2.300 -4.568 7.550 1.00 0.00 C ATOM 747 O SER A 50 -1.435 -3.840 7.073 1.00 0.00 O ATOM 748 CB SER A 50 -1.848 -4.670 10.015 1.00 0.00 C ATOM 749 OG SER A 50 -0.698 -3.840 9.989 1.00 0.00 O ATOM 0 H SER A 50 -0.237 -5.916 7.640 1.00 0.00 H new ATOM 0 HA SER A 50 -2.790 -6.202 8.846 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.739 -4.056 10.149 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.794 -5.343 10.871 1.00 0.00 H new ATOM 0 HG SER A 50 -0.033 -4.183 10.622 1.00 0.00 H new ATOM 755 N ALA A 51 -3.538 -4.604 7.075 1.00 0.00 N ATOM 756 CA ALA A 51 -3.928 -3.783 5.935 1.00 0.00 C ATOM 757 C ALA A 51 -5.108 -2.893 6.273 1.00 0.00 C ATOM 758 O ALA A 51 -6.143 -3.369 6.749 1.00 0.00 O ATOM 759 CB ALA A 51 -4.240 -4.644 4.717 1.00 0.00 C ATOM 0 H ALA A 51 -4.283 -5.187 7.456 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.081 -3.142 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.528 -4.004 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.357 -5.221 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.059 -5.324 4.952 1.00 0.00 H new ATOM 765 N LYS A 52 -4.947 -1.600 6.037 1.00 0.00 N ATOM 766 CA LYS A 52 -6.011 -0.648 6.277 1.00 0.00 C ATOM 767 C LYS A 52 -6.484 0.002 4.994 1.00 0.00 C ATOM 768 O LYS A 52 -5.709 0.219 4.066 1.00 0.00 O ATOM 769 CB LYS A 52 -5.613 0.440 7.285 1.00 0.00 C ATOM 770 CG LYS A 52 -4.237 1.039 7.146 1.00 0.00 C ATOM 771 CD LYS A 52 -4.034 2.082 8.239 1.00 0.00 C ATOM 772 CE LYS A 52 -2.607 2.595 8.307 1.00 0.00 C ATOM 773 NZ LYS A 52 -2.421 3.582 9.403 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.085 -1.189 5.678 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.830 -1.225 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.341 1.248 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.699 0.020 8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.478 0.260 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.124 1.497 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.708 2.920 8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.306 1.650 9.202 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.927 1.756 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.342 3.056 7.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.433 3.907 9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.051 4.395 9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.649 3.136 10.314 1.00 0.00 H new ATOM 787 N LEU A 53 -7.766 0.306 4.968 1.00 0.00 N ATOM 788 CA LEU A 53 -8.378 1.022 3.873 1.00 0.00 C ATOM 789 C LEU A 53 -8.896 2.342 4.405 1.00 0.00 C ATOM 790 O LEU A 53 -9.531 2.384 5.459 1.00 0.00 O ATOM 791 CB LEU A 53 -9.526 0.208 3.281 1.00 0.00 C ATOM 792 CG LEU A 53 -10.337 0.907 2.201 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.872 0.478 0.825 1.00 0.00 C ATOM 794 CD2 LEU A 53 -11.811 0.609 2.379 1.00 0.00 C ATOM 0 H LEU A 53 -8.416 0.060 5.714 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.646 1.194 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.118 -0.713 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.200 -0.078 4.089 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.185 1.982 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.464 0.989 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.820 0.736 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.997 -0.600 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.381 1.115 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.976 -0.466 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.138 0.963 3.356 1.00 0.00 H new ATOM 806 N ILE A 54 -8.619 3.413 3.699 1.00 0.00 N ATOM 807 CA ILE A 54 -8.979 4.728 4.186 1.00 0.00 C ATOM 808 C ILE A 54 -10.300 5.172 3.592 1.00 0.00 C ATOM 809 O ILE A 54 -10.434 5.291 2.374 1.00 0.00 O ATOM 810 CB ILE A 54 -7.906 5.773 3.850 1.00 0.00 C ATOM 811 CG1 ILE A 54 -6.527 5.313 4.336 1.00 0.00 C ATOM 812 CG2 ILE A 54 -8.269 7.122 4.456 1.00 0.00 C ATOM 813 CD1 ILE A 54 -6.469 4.968 5.809 1.00 0.00 C ATOM 0 H ILE A 54 -8.150 3.403 2.793 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.066 4.653 5.270 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.862 5.883 2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.224 4.440 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.801 6.100 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.498 7.851 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.226 7.455 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.343 7.026 5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.459 4.652 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.739 5.844 6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.168 4.159 6.021 1.00 0.00 H new ATOM 934 N SER A 62 -14.299 4.906 0.404 1.00 0.00 N ATOM 935 CA SER A 62 -12.851 4.906 0.349 1.00 0.00 C ATOM 936 C SER A 62 -12.360 6.192 -0.302 1.00 0.00 C ATOM 937 O SER A 62 -12.986 6.704 -1.232 1.00 0.00 O ATOM 938 CB SER A 62 -12.336 3.686 -0.424 1.00 0.00 C ATOM 939 OG SER A 62 -10.918 3.672 -0.488 1.00 0.00 O ATOM 0 HA SER A 62 -12.463 4.850 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.689 2.774 0.057 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.747 3.693 -1.434 1.00 0.00 H new ATOM 0 HG SER A 62 -10.551 4.138 0.292 1.00 0.00 H new ATOM 945 N LEU A 63 -11.257 6.716 0.203 1.00 0.00 N ATOM 946 CA LEU A 63 -10.711 7.964 -0.298 1.00 0.00 C ATOM 947 C LEU A 63 -9.634 7.696 -1.340 1.00 0.00 C ATOM 948 O LEU A 63 -8.918 8.603 -1.768 1.00 0.00 O ATOM 949 CB LEU A 63 -10.163 8.804 0.856 1.00 0.00 C ATOM 950 CG LEU A 63 -11.191 9.149 1.941 1.00 0.00 C ATOM 951 CD1 LEU A 63 -10.581 10.050 3.000 1.00 0.00 C ATOM 952 CD2 LEU A 63 -12.425 9.804 1.329 1.00 0.00 C ATOM 0 H LEU A 63 -10.721 6.295 0.962 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.510 8.528 -0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.334 8.267 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.756 9.731 0.452 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.497 8.219 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.330 10.280 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.737 9.543 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.238 10.975 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.140 10.040 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.134 10.721 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.884 9.120 0.615 1.00 0.00 H new ATOM 964 N GLY A 64 -9.528 6.438 -1.744 1.00 0.00 N ATOM 965 CA GLY A 64 -8.667 6.081 -2.851 1.00 0.00 C ATOM 966 C GLY A 64 -7.272 5.675 -2.429 1.00 0.00 C ATOM 967 O GLY A 64 -6.348 5.717 -3.237 1.00 0.00 O ATOM 0 H GLY A 64 -10.026 5.655 -1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.123 5.260 -3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.599 6.927 -3.534 1.00 0.00 H new ATOM 971 N TYR A 65 -7.104 5.275 -1.174 1.00 0.00 N ATOM 972 CA TYR A 65 -5.803 4.805 -0.709 1.00 0.00 C ATOM 973 C TYR A 65 -5.921 4.037 0.604 1.00 0.00 C ATOM 974 O TYR A 65 -6.942 4.110 1.292 1.00 0.00 O ATOM 975 CB TYR A 65 -4.809 5.971 -0.568 1.00 0.00 C ATOM 976 CG TYR A 65 -5.059 6.900 0.590 1.00 0.00 C ATOM 977 CD1 TYR A 65 -4.226 6.874 1.695 1.00 0.00 C ATOM 978 CD2 TYR A 65 -6.102 7.813 0.571 1.00 0.00 C ATOM 979 CE1 TYR A 65 -4.421 7.730 2.753 1.00 0.00 C ATOM 980 CE2 TYR A 65 -6.308 8.674 1.628 1.00 0.00 C ATOM 981 CZ TYR A 65 -5.462 8.631 2.718 1.00 0.00 C ATOM 982 OH TYR A 65 -5.657 9.493 3.776 1.00 0.00 O ATOM 0 H TYR A 65 -7.840 5.266 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.419 4.119 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.804 5.559 -0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.827 6.554 -1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.409 6.169 1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.762 7.850 -0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.761 7.696 3.607 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.127 9.378 1.603 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.432 10.064 3.594 1.00 0.00 H new ATOM 992 N GLY A 66 -4.872 3.288 0.926 1.00 0.00 N ATOM 993 CA GLY A 66 -4.833 2.512 2.151 1.00 0.00 C ATOM 994 C GLY A 66 -3.415 2.106 2.502 1.00 0.00 C ATOM 995 O GLY A 66 -2.477 2.466 1.791 1.00 0.00 O ATOM 0 H GLY A 66 -4.035 3.205 0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.259 3.096 2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.451 1.621 2.039 1.00 0.00 H new ATOM 999 N PHE A 67 -3.249 1.364 3.591 1.00 0.00 N ATOM 1000 CA PHE A 67 -1.916 0.991 4.058 1.00 0.00 C ATOM 1001 C PHE A 67 -1.863 -0.482 4.439 1.00 0.00 C ATOM 1002 O PHE A 67 -2.528 -0.903 5.378 1.00 0.00 O ATOM 1003 CB PHE A 67 -1.524 1.819 5.285 1.00 0.00 C ATOM 1004 CG PHE A 67 -1.596 3.308 5.093 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -2.795 3.983 5.262 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -0.465 4.032 4.762 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -2.863 5.353 5.100 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -0.527 5.402 4.599 1.00 0.00 C ATOM 1009 CZ PHE A 67 -1.727 6.064 4.767 1.00 0.00 C ATOM 0 H PHE A 67 -4.014 1.010 4.165 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.221 1.183 3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.174 1.542 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.507 1.553 5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.686 3.431 5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.477 3.520 4.630 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.803 5.867 5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.363 5.956 4.340 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.777 7.135 4.638 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.078 -1.263 3.724 1.00 0.00 N ATOM 1020 CA VAL A 68 -0.889 -2.654 4.067 1.00 0.00 C ATOM 1021 C VAL A 68 0.555 -2.924 4.469 1.00 0.00 C ATOM 1022 O VAL A 68 1.483 -2.830 3.669 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.371 -3.593 2.932 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.563 -2.819 1.651 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.444 -4.787 2.710 1.00 0.00 C ATOM 0 H VAL A 68 -0.561 -0.955 2.901 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.511 -2.875 4.934 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.330 -4.002 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.902 -3.494 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.309 -2.039 1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.618 -2.364 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.835 -5.406 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.551 -4.431 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.385 -5.377 3.625 1.00 0.00 H new ATOM 1035 N ASN A 69 0.732 -3.187 5.746 1.00 0.00 N ATOM 1036 CA ASN A 69 2.015 -3.566 6.290 1.00 0.00 C ATOM 1037 C ASN A 69 2.227 -5.047 6.055 1.00 0.00 C ATOM 1038 O ASN A 69 1.323 -5.845 6.285 1.00 0.00 O ATOM 1039 CB ASN A 69 2.055 -3.280 7.792 1.00 0.00 C ATOM 1040 CG ASN A 69 3.461 -3.097 8.319 1.00 0.00 C ATOM 1041 OD1 ASN A 69 3.962 -1.979 8.397 1.00 0.00 O ATOM 1042 ND2 ASN A 69 4.109 -4.187 8.688 1.00 0.00 N ATOM 0 H ASN A 69 -0.016 -3.143 6.439 1.00 0.00 H new ATOM 0 HA ASN A 69 2.801 -2.991 5.800 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.474 -2.382 8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.576 -4.101 8.326 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.059 -4.117 9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.659 -5.099 8.608 1.00 0.00 H new ATOM 1049 N TYR A 70 3.395 -5.412 5.579 1.00 0.00 N ATOM 1050 CA TYR A 70 3.739 -6.809 5.401 1.00 0.00 C ATOM 1051 C TYR A 70 4.538 -7.314 6.585 1.00 0.00 C ATOM 1052 O TYR A 70 5.101 -6.534 7.349 1.00 0.00 O ATOM 1053 CB TYR A 70 4.556 -7.000 4.127 1.00 0.00 C ATOM 1054 CG TYR A 70 3.738 -7.165 2.873 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.037 -8.339 2.645 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.682 -6.165 1.910 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.302 -8.516 1.494 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.944 -6.335 0.760 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.258 -7.510 0.557 1.00 0.00 C ATOM 1060 OH TYR A 70 1.536 -7.683 -0.595 1.00 0.00 O ATOM 0 H TYR A 70 4.129 -4.758 5.306 1.00 0.00 H new ATOM 0 HA TYR A 70 2.812 -7.376 5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.217 -6.142 4.003 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.192 -7.877 4.248 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.068 -9.128 3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.224 -5.244 2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.764 -9.438 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.904 -5.549 0.020 1.00 0.00 H new ATOM 0 HH TYR A 70 0.934 -8.449 -0.492 1.00 0.00 H new ATOM 1070 N VAL A 71 4.568 -8.628 6.736 1.00 0.00 N ATOM 1071 CA VAL A 71 5.375 -9.256 7.769 1.00 0.00 C ATOM 1072 C VAL A 71 6.838 -9.245 7.343 1.00 0.00 C ATOM 1073 O VAL A 71 7.747 -9.512 8.128 1.00 0.00 O ATOM 1074 CB VAL A 71 4.921 -10.705 8.030 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.458 -10.724 8.443 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.146 -11.578 6.804 1.00 0.00 C ATOM 0 H VAL A 71 4.042 -9.281 6.155 1.00 0.00 H new ATOM 0 HA VAL A 71 5.251 -8.692 8.693 1.00 0.00 H new ATOM 0 HB VAL A 71 5.521 -11.114 8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.145 -11.752 8.626 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.329 -10.138 9.353 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.850 -10.295 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.817 -12.595 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.576 -11.180 5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.206 -11.585 6.552 1.00 0.00 H new ATOM 1086 N THR A 72 7.034 -8.931 6.074 1.00 0.00 N ATOM 1087 CA THR A 72 8.344 -8.846 5.469 1.00 0.00 C ATOM 1088 C THR A 72 8.516 -7.511 4.771 1.00 0.00 C ATOM 1089 O THR A 72 7.545 -6.902 4.326 1.00 0.00 O ATOM 1090 CB THR A 72 8.513 -9.938 4.409 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.281 -10.105 3.707 1.00 0.00 O ATOM 1092 CG2 THR A 72 8.949 -11.256 5.010 1.00 0.00 C ATOM 0 H THR A 72 6.272 -8.725 5.428 1.00 0.00 H new ATOM 0 HA THR A 72 9.082 -8.963 6.263 1.00 0.00 H new ATOM 0 HB THR A 72 9.299 -9.622 3.723 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.246 -11.003 3.317 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.055 -11.999 4.219 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.905 -11.126 5.517 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.201 -11.594 5.727 1.00 0.00 H new ATOM 1100 N ALA A 73 9.746 -7.052 4.677 1.00 0.00 N ATOM 1101 CA ALA A 73 10.057 -5.956 3.782 1.00 0.00 C ATOM 1102 C ALA A 73 10.356 -6.541 2.413 1.00 0.00 C ATOM 1103 O ALA A 73 10.345 -5.850 1.395 1.00 0.00 O ATOM 1104 CB ALA A 73 11.230 -5.143 4.300 1.00 0.00 C ATOM 0 H ALA A 73 10.540 -7.416 5.203 1.00 0.00 H new ATOM 0 HA ALA A 73 9.209 -5.275 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.441 -4.327 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.984 -4.734 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.108 -5.784 4.384 1.00 0.00 H new ATOM 1110 N LYS A 74 10.605 -7.844 2.426 1.00 0.00 N ATOM 1111 CA LYS A 74 10.837 -8.628 1.227 1.00 0.00 C ATOM 1112 C LYS A 74 9.590 -8.671 0.345 1.00 0.00 C ATOM 1113 O LYS A 74 9.644 -8.339 -0.838 1.00 0.00 O ATOM 1114 CB LYS A 74 11.278 -10.031 1.649 1.00 0.00 C ATOM 1115 CG LYS A 74 11.284 -11.042 0.530 1.00 0.00 C ATOM 1116 CD LYS A 74 10.179 -12.059 0.716 1.00 0.00 C ATOM 1117 CE LYS A 74 9.821 -12.697 -0.608 1.00 0.00 C ATOM 1118 NZ LYS A 74 10.934 -13.520 -1.150 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.651 -8.392 3.285 1.00 0.00 H new ATOM 0 HA LYS A 74 11.622 -8.166 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.280 -9.972 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.616 -10.385 2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.159 -10.533 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.249 -11.549 0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.497 -12.826 1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.300 -11.576 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.937 -13.322 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.562 -11.919 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.640 -13.952 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.765 -12.916 -1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.176 -14.268 -0.469 1.00 0.00 H new ATOM 1132 N ASP A 75 8.463 -9.057 0.927 1.00 0.00 N ATOM 1133 CA ASP A 75 7.208 -9.138 0.184 1.00 0.00 C ATOM 1134 C ASP A 75 6.621 -7.749 -0.037 1.00 0.00 C ATOM 1135 O ASP A 75 5.747 -7.562 -0.881 1.00 0.00 O ATOM 1136 CB ASP A 75 6.207 -10.051 0.896 1.00 0.00 C ATOM 1137 CG ASP A 75 6.650 -11.506 0.900 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.605 -12.153 -0.165 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.055 -12.007 1.975 1.00 0.00 O1- ATOM 0 H ASP A 75 8.389 -9.319 1.910 1.00 0.00 H new ATOM 0 HA ASP A 75 7.420 -9.574 -0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.076 -9.711 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.236 -9.971 0.408 1.00 0.00 H new ATOM 1144 N ALA A 76 7.107 -6.772 0.717 1.00 0.00 N ATOM 1145 CA ALA A 76 6.732 -5.378 0.503 1.00 0.00 C ATOM 1146 C ALA A 76 7.197 -4.919 -0.871 1.00 0.00 C ATOM 1147 O ALA A 76 6.394 -4.493 -1.700 1.00 0.00 O ATOM 1148 CB ALA A 76 7.324 -4.501 1.600 1.00 0.00 C ATOM 0 H ALA A 76 7.763 -6.918 1.484 1.00 0.00 H new ATOM 0 HA ALA A 76 5.646 -5.289 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.038 -3.463 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.948 -4.827 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.411 -4.585 1.586 1.00 0.00 H new ATOM 1154 N GLU A 77 8.495 -5.032 -1.113 1.00 0.00 N ATOM 1155 CA GLU A 77 9.059 -4.748 -2.425 1.00 0.00 C ATOM 1156 C GLU A 77 8.431 -5.662 -3.470 1.00 0.00 C ATOM 1157 O GLU A 77 8.200 -5.253 -4.606 1.00 0.00 O ATOM 1158 CB GLU A 77 10.577 -4.936 -2.376 1.00 0.00 C ATOM 1159 CG GLU A 77 11.252 -4.946 -3.733 1.00 0.00 C ATOM 1160 CD GLU A 77 12.758 -4.991 -3.624 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.303 -6.067 -3.303 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.409 -3.956 -3.860 1.00 0.00 O1- ATOM 0 H GLU A 77 9.180 -5.320 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 77 8.843 -3.716 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.010 -4.137 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.798 -5.874 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.905 -5.808 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.957 -4.057 -4.290 1.00 0.00 H new ATOM 1169 N ARG A 78 8.103 -6.883 -3.053 1.00 0.00 N ATOM 1170 CA ARG A 78 7.498 -7.867 -3.931 1.00 0.00 C ATOM 1171 C ARG A 78 6.152 -7.355 -4.420 1.00 0.00 C ATOM 1172 O ARG A 78 5.807 -7.487 -5.593 1.00 0.00 O ATOM 1173 CB ARG A 78 7.338 -9.179 -3.172 1.00 0.00 C ATOM 1174 CG ARG A 78 6.911 -10.364 -4.015 1.00 0.00 C ATOM 1175 CD ARG A 78 6.858 -11.624 -3.167 1.00 0.00 C ATOM 1176 NE ARG A 78 6.421 -12.793 -3.919 1.00 0.00 N ATOM 1177 CZ ARG A 78 6.209 -13.985 -3.365 1.00 0.00 C ATOM 1178 NH1 ARG A 78 6.295 -14.137 -2.047 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 5.878 -15.022 -4.125 1.00 0.00 N ATOM 0 H ARG A 78 8.251 -7.212 -2.099 1.00 0.00 H new ATOM 0 HA ARG A 78 8.135 -8.038 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.286 -9.419 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.604 -9.034 -2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.932 -10.172 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.610 -10.502 -4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.846 -11.816 -2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.181 -11.464 -2.328 1.00 0.00 H new ATOM 0 HE ARG A 78 6.270 -12.693 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.524 -13.338 -1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.132 -15.052 -1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.786 -14.906 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.716 -15.935 -3.700 1.00 0.00 H new ATOM 1193 N ALA A 79 5.408 -6.732 -3.515 1.00 0.00 N ATOM 1194 CA ALA A 79 4.119 -6.159 -3.857 1.00 0.00 C ATOM 1195 C ALA A 79 4.286 -4.960 -4.770 1.00 0.00 C ATOM 1196 O ALA A 79 3.445 -4.701 -5.618 1.00 0.00 O ATOM 1197 CB ALA A 79 3.342 -5.772 -2.603 1.00 0.00 C ATOM 0 H ALA A 79 5.678 -6.612 -2.539 1.00 0.00 H new ATOM 0 HA ALA A 79 3.547 -6.919 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.380 -5.345 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.178 -6.657 -1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.911 -5.036 -2.035 1.00 0.00 H new ATOM 1203 N ILE A 80 5.370 -4.228 -4.603 1.00 0.00 N ATOM 1204 CA ILE A 80 5.607 -3.065 -5.439 1.00 0.00 C ATOM 1205 C ILE A 80 5.944 -3.430 -6.874 1.00 0.00 C ATOM 1206 O ILE A 80 5.573 -2.724 -7.803 1.00 0.00 O ATOM 1207 CB ILE A 80 6.714 -2.192 -4.879 1.00 0.00 C ATOM 1208 CG1 ILE A 80 6.433 -1.888 -3.416 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.806 -0.907 -5.675 1.00 0.00 C ATOM 1210 CD1 ILE A 80 7.496 -1.059 -2.763 1.00 0.00 C ATOM 0 H ILE A 80 6.092 -4.413 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 80 4.669 -2.510 -5.439 1.00 0.00 H new ATOM 0 HB ILE A 80 7.665 -2.719 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.478 -1.368 -3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.330 -2.827 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.603 -0.284 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.023 -1.140 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.859 -0.372 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.230 -0.881 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.449 -1.587 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.584 -0.105 -3.283 1.00 0.00 H new ATOM 1222 N ASN A 81 6.653 -4.512 -7.080 1.00 0.00 N ATOM 1223 CA ASN A 81 6.979 -4.877 -8.441 1.00 0.00 C ATOM 1224 C ASN A 81 5.864 -5.687 -9.070 1.00 0.00 C ATOM 1225 O ASN A 81 5.647 -5.633 -10.281 1.00 0.00 O ATOM 1226 CB ASN A 81 8.306 -5.621 -8.530 1.00 0.00 C ATOM 1227 CG ASN A 81 8.422 -6.835 -7.632 1.00 0.00 C ATOM 1228 OD1 ASN A 81 9.272 -6.724 -6.626 1.00 0.00 O flip ATOM 1229 ND2 ASN A 81 7.799 -7.870 -7.868 1.00 0.00 N flip ATOM 0 H ASN A 81 7.006 -5.137 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 81 7.088 -3.950 -9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.460 -5.936 -9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.111 -4.928 -8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.153 -7.908 -8.657 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.928 -8.690 -7.275 1.00 0.00 H new ATOM 1236 N THR A 82 5.158 -6.428 -8.246 1.00 0.00 N ATOM 1237 CA THR A 82 4.099 -7.287 -8.718 1.00 0.00 C ATOM 1238 C THR A 82 2.725 -6.588 -8.720 1.00 0.00 C ATOM 1239 O THR A 82 2.067 -6.493 -9.757 1.00 0.00 O ATOM 1240 CB THR A 82 4.053 -8.564 -7.864 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.170 -9.405 -8.182 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.748 -9.328 -8.041 1.00 0.00 C ATOM 0 H THR A 82 5.301 -6.452 -7.236 1.00 0.00 H new ATOM 0 HA THR A 82 4.319 -7.543 -9.754 1.00 0.00 H new ATOM 0 HB THR A 82 4.109 -8.263 -6.818 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.136 -10.216 -7.633 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.763 -10.222 -7.418 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.912 -8.694 -7.746 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.634 -9.616 -9.086 1.00 0.00 H new ATOM 1250 N LEU A 83 2.309 -6.091 -7.559 1.00 0.00 N ATOM 1251 CA LEU A 83 0.953 -5.573 -7.375 1.00 0.00 C ATOM 1252 C LEU A 83 0.815 -4.098 -7.737 1.00 0.00 C ATOM 1253 O LEU A 83 -0.291 -3.617 -7.959 1.00 0.00 O ATOM 1254 CB LEU A 83 0.505 -5.757 -5.931 1.00 0.00 C ATOM 1255 CG LEU A 83 0.290 -7.200 -5.467 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.279 -7.213 -4.061 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.621 -7.965 -6.409 1.00 0.00 C ATOM 0 H LEU A 83 2.894 -6.035 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 83 0.323 -6.146 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.248 -5.295 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.427 -5.209 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 83 1.259 -7.699 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.429 -8.243 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.416 -6.718 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.234 -6.687 -4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.748 -8.984 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.592 -7.473 -6.456 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.178 -7.988 -7.405 1.00 0.00 H new ATOM 1269 N ASN A 84 1.910 -3.364 -7.756 1.00 0.00 N ATOM 1270 CA ASN A 84 1.846 -1.946 -8.072 1.00 0.00 C ATOM 1271 C ASN A 84 1.468 -1.743 -9.538 1.00 0.00 C ATOM 1272 O ASN A 84 2.252 -2.019 -10.448 1.00 0.00 O ATOM 1273 CB ASN A 84 3.175 -1.290 -7.710 1.00 0.00 C ATOM 1274 CG ASN A 84 3.245 0.186 -8.020 1.00 0.00 C ATOM 1275 OD1 ASN A 84 2.227 0.856 -8.139 1.00 0.00 O ATOM 1276 ND2 ASN A 84 4.460 0.704 -8.106 1.00 0.00 N ATOM 0 H ASN A 84 2.846 -3.718 -7.559 1.00 0.00 H new ATOM 0 HA ASN A 84 1.066 -1.465 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.360 -1.435 -6.646 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.976 -1.800 -8.245 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.578 1.702 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.279 0.105 -8.000 1.00 0.00 H new ATOM 1283 N GLY A 85 0.248 -1.258 -9.740 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.344 -1.196 -11.062 1.00 0.00 C ATOM 1285 C GLY A 85 -1.265 -2.376 -11.307 1.00 0.00 C ATOM 1286 O GLY A 85 -1.451 -2.809 -12.444 1.00 0.00 O ATOM 0 H GLY A 85 -0.351 -0.901 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.903 -0.267 -11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.443 -1.183 -11.816 1.00 0.00 H new ATOM 1290 N LEU A 86 -1.830 -2.908 -10.228 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.772 -4.016 -10.319 1.00 0.00 C ATOM 1292 C LEU A 86 -4.162 -3.465 -10.585 1.00 0.00 C ATOM 1293 O LEU A 86 -4.562 -2.465 -9.985 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.779 -4.821 -9.009 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.912 -6.348 -9.137 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.163 -6.743 -9.904 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.672 -6.939 -9.787 1.00 0.00 C ATOM 0 H LEU A 86 -1.650 -2.587 -9.277 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.471 -4.676 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.856 -4.604 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.601 -4.459 -8.391 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.006 -6.756 -8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.220 -7.829 -9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.043 -6.365 -9.384 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.124 -6.318 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.784 -8.020 -9.869 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.543 -6.511 -10.781 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.798 -6.710 -9.178 1.00 0.00 H new ATOM 1309 N ARG A 87 -4.888 -4.104 -11.485 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.239 -3.699 -11.785 1.00 0.00 C ATOM 1311 C ARG A 87 -7.201 -4.307 -10.766 1.00 0.00 C ATOM 1312 O ARG A 87 -7.732 -5.399 -10.963 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.602 -4.137 -13.201 1.00 0.00 C ATOM 1314 CG ARG A 87 -7.811 -3.425 -13.761 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.540 -1.940 -13.960 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.316 -1.698 -14.722 1.00 0.00 N ATOM 1317 CZ ARG A 87 -6.191 -0.780 -15.682 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -7.238 -0.060 -16.066 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -5.015 -0.595 -16.268 1.00 0.00 N ATOM 0 H ARG A 87 -4.558 -4.908 -12.020 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.317 -2.613 -11.726 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.750 -3.960 -13.857 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.789 -5.211 -13.204 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.092 -3.876 -14.713 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.656 -3.555 -13.085 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.384 -1.485 -14.478 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.463 -1.453 -12.988 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.501 -2.271 -14.504 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.147 -0.207 -15.626 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.134 0.640 -16.801 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.210 -1.154 -15.984 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.916 0.106 -17.002 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.402 -3.584 -9.676 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.306 -3.987 -8.617 1.00 0.00 C ATOM 1335 C LEU A 88 -9.690 -3.434 -8.879 1.00 0.00 C ATOM 1336 O LEU A 88 -9.877 -2.224 -8.881 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.800 -3.467 -7.276 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.158 -4.516 -6.380 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.576 -3.858 -5.145 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.188 -5.559 -5.986 1.00 0.00 C ATOM 0 H LEU A 88 -6.937 -2.693 -9.502 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.351 -5.076 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.074 -2.675 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.635 -3.015 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.352 -5.007 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.119 -4.617 -4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.821 -3.130 -5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.369 -3.353 -4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.722 -6.307 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.005 -5.078 -5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.578 -6.042 -6.882 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.649 -4.317 -9.127 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.027 -3.904 -9.392 1.00 0.00 C ATOM 1354 C GLN A 89 -12.083 -2.875 -10.509 1.00 0.00 C ATOM 1355 O GLN A 89 -12.887 -1.945 -10.473 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.661 -3.339 -8.138 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.762 -4.342 -7.003 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.588 -3.831 -5.844 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.572 -2.525 -5.642 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.227 -4.602 -5.131 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.501 -5.326 -9.151 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.586 -4.785 -9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.080 -2.480 -7.802 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.659 -2.974 -8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.202 -5.266 -7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.760 -4.587 -6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.212 -5.604 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.772 -4.240 -4.349 1.00 0.00 H new ATOM 1369 N SER A 90 -11.186 -3.046 -11.471 1.00 0.00 N ATOM 1370 CA SER A 90 -11.108 -2.195 -12.654 1.00 0.00 C ATOM 1371 C SER A 90 -10.468 -0.840 -12.339 1.00 0.00 C ATOM 1372 O SER A 90 -10.562 0.105 -13.121 1.00 0.00 O ATOM 1373 CB SER A 90 -12.489 -2.031 -13.259 1.00 0.00 C ATOM 1374 OG SER A 90 -12.956 -3.257 -13.799 1.00 0.00 O ATOM 0 H SER A 90 -10.485 -3.786 -11.453 1.00 0.00 H new ATOM 0 HA SER A 90 -10.461 -2.680 -13.385 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.184 -1.677 -12.498 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.460 -1.273 -14.041 1.00 0.00 H new ATOM 0 HG SER A 90 -13.849 -3.127 -14.182 1.00 0.00 H new ATOM 1380 N LYS A 91 -9.804 -0.769 -11.194 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.068 0.417 -10.773 1.00 0.00 C ATOM 1382 C LYS A 91 -7.592 0.059 -10.624 1.00 0.00 C ATOM 1383 O LYS A 91 -7.268 -0.987 -10.074 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.609 0.899 -9.433 1.00 0.00 C ATOM 1385 CG LYS A 91 -9.927 2.367 -9.388 1.00 0.00 C ATOM 1386 CD LYS A 91 -8.665 3.186 -9.492 1.00 0.00 C ATOM 1387 CE LYS A 91 -8.783 4.411 -8.632 1.00 0.00 C ATOM 1388 NZ LYS A 91 -7.816 5.467 -9.019 1.00 0.00 N1+ ATOM 0 H LYS A 91 -9.760 -1.538 -10.525 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.184 1.206 -11.516 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.511 0.336 -9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.878 0.673 -8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.602 2.624 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.446 2.604 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.807 2.591 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.491 3.473 -10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.796 4.806 -8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.620 4.137 -7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.521 5.995 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.983 5.029 -9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.265 6.118 -9.694 1.00 0.00 H new ATOM 1402 N THR A 92 -6.696 0.901 -11.110 1.00 0.00 N ATOM 1403 CA THR A 92 -5.276 0.590 -11.022 1.00 0.00 C ATOM 1404 C THR A 92 -4.648 1.271 -9.816 1.00 0.00 C ATOM 1405 O THR A 92 -4.698 2.493 -9.682 1.00 0.00 O ATOM 1406 CB THR A 92 -4.511 1.002 -12.285 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.428 1.166 -13.375 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.468 -0.049 -12.653 1.00 0.00 C ATOM 0 H THR A 92 -6.918 1.788 -11.561 1.00 0.00 H new ATOM 0 HA THR A 92 -5.203 -0.492 -10.916 1.00 0.00 H new ATOM 0 HB THR A 92 -4.002 1.945 -12.086 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.936 1.431 -14.180 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.937 0.264 -13.552 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.758 -0.160 -11.833 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.962 -1.003 -12.837 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.056 0.465 -8.955 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.503 0.928 -7.692 1.00 0.00 C ATOM 1418 C ILE A 93 -2.005 1.198 -7.799 1.00 0.00 C ATOM 1419 O ILE A 93 -1.366 0.800 -8.771 1.00 0.00 O ATOM 1420 CB ILE A 93 -3.743 -0.123 -6.605 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -2.926 -1.378 -6.919 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.229 -0.442 -6.520 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.172 -2.521 -5.973 1.00 0.00 C ATOM 0 H ILE A 93 -3.943 -0.537 -9.111 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.004 1.861 -7.434 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.422 0.263 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.155 -1.704 -7.934 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.866 -1.124 -6.898 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.397 -1.190 -5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.782 0.465 -6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.574 -0.829 -7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.556 -3.372 -6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.915 -2.216 -4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.224 -2.805 -6.011 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.448 1.882 -6.808 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.013 2.104 -6.760 1.00 0.00 C ATOM 1437 C LYS A 94 0.507 1.837 -5.355 1.00 0.00 C ATOM 1438 O LYS A 94 0.277 2.622 -4.436 1.00 0.00 O ATOM 1439 CB LYS A 94 0.360 3.521 -7.211 1.00 0.00 C ATOM 1440 CG LYS A 94 1.862 3.767 -7.214 1.00 0.00 C ATOM 1441 CD LYS A 94 2.222 5.138 -7.772 1.00 0.00 C ATOM 1442 CE LYS A 94 2.417 5.115 -9.287 1.00 0.00 C ATOM 1443 NZ LYS A 94 1.152 4.885 -10.039 1.00 0.00 N1+ ATOM 0 H LYS A 94 -1.967 2.290 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 94 0.457 1.409 -7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.033 3.693 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.120 4.244 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.244 3.679 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.353 2.995 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.435 5.848 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.136 5.493 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.854 6.062 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.131 4.333 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.262 5.224 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.933 3.868 -10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.376 5.402 -9.579 1.00 0.00 H new ATOM 1457 N VAL A 95 1.192 0.716 -5.198 1.00 0.00 N ATOM 1458 CA VAL A 95 1.724 0.314 -3.906 1.00 0.00 C ATOM 1459 C VAL A 95 3.179 0.762 -3.778 1.00 0.00 C ATOM 1460 O VAL A 95 3.935 0.748 -4.754 1.00 0.00 O ATOM 1461 CB VAL A 95 1.594 -1.214 -3.680 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.686 -1.847 -4.720 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.944 -1.885 -3.660 1.00 0.00 C ATOM 0 H VAL A 95 1.394 0.064 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 95 1.133 0.803 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 95 1.137 -1.362 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.614 -2.919 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.306 -1.400 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.098 -1.676 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.816 -2.955 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.447 -1.718 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.546 -1.467 -2.853 1.00 0.00 H new ATOM 1473 N SER A 96 3.551 1.181 -2.581 1.00 0.00 N ATOM 1474 CA SER A 96 4.884 1.689 -2.298 1.00 0.00 C ATOM 1475 C SER A 96 5.121 1.652 -0.797 1.00 0.00 C ATOM 1476 O SER A 96 4.193 1.422 -0.034 1.00 0.00 O ATOM 1477 CB SER A 96 5.013 3.129 -2.795 1.00 0.00 C ATOM 1478 OG SER A 96 4.704 3.219 -4.177 1.00 0.00 O ATOM 0 H SER A 96 2.932 1.179 -1.771 1.00 0.00 H new ATOM 0 HA SER A 96 5.621 1.069 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.344 3.775 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.027 3.488 -2.621 1.00 0.00 H new ATOM 0 HG SER A 96 4.779 2.332 -4.587 1.00 0.00 H new ATOM 1484 N TYR A 97 6.352 1.871 -0.372 1.00 0.00 N ATOM 1485 CA TYR A 97 6.647 1.943 1.054 1.00 0.00 C ATOM 1486 C TYR A 97 6.034 3.202 1.628 1.00 0.00 C ATOM 1487 O TYR A 97 6.389 4.308 1.219 1.00 0.00 O ATOM 1488 CB TYR A 97 8.152 1.973 1.316 1.00 0.00 C ATOM 1489 CG TYR A 97 8.954 1.080 0.410 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.923 -0.301 0.543 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.754 1.630 -0.578 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.671 -1.108 -0.291 1.00 0.00 C ATOM 1493 CE2 TYR A 97 10.503 0.838 -1.415 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.460 -0.536 -1.271 1.00 0.00 C ATOM 1495 OH TYR A 97 11.199 -1.340 -2.103 1.00 0.00 O ATOM 0 H TYR A 97 7.158 2.001 -0.983 1.00 0.00 H new ATOM 0 HA TYR A 97 6.229 1.055 1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.508 2.997 1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.335 1.681 2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 97 8.307 -0.750 1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.790 2.703 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.640 -2.182 -0.178 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.121 1.286 -2.180 1.00 0.00 H new ATOM 0 HH TYR A 97 11.698 -0.784 -2.737 1.00 0.00 H new ATOM 1505 N ALA A 98 5.105 3.033 2.553 1.00 0.00 N ATOM 1506 CA ALA A 98 4.531 4.166 3.244 1.00 0.00 C ATOM 1507 C ALA A 98 5.607 4.773 4.128 1.00 0.00 C ATOM 1508 O ALA A 98 6.093 4.107 5.041 1.00 0.00 O ATOM 1509 CB ALA A 98 3.311 3.746 4.058 1.00 0.00 C ATOM 0 H ALA A 98 4.736 2.126 2.839 1.00 0.00 H new ATOM 0 HA ALA A 98 4.186 4.909 2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.897 4.616 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.558 3.323 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 98 3.605 2.999 4.795 1.00 0.00 H new