USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 LYS NZ :NH3+ 167:sc= 0.872 (180deg=-0.0206) USER MOD Set 1.2: A 96 SER OG : rot -120:sc= 0.483 USER MOD Set 2.1: A 81 ASN : amide:sc= -1.81 K(o=-1.5,f=-6.4!) USER MOD Set 2.2: A 82 THR OG1 : rot 56:sc= 0.31 USER MOD Set 3.1: A 22 THR OG1 : rot 62:sc= 1.21 USER MOD Set 3.2: A 69 ASN : amide:sc= 2.04 K(o=3.2,f=-2.7!) USER MOD Single : A 23 ASN : amide:sc= -2.2! K(o=-2.2!,f=-2.8) USER MOD Single : A 27 ASN : amide:sc= 0.0152 K(o=0.015,f=-1.1) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.102 F(o=-2.2!,f=-0.1) USER MOD Single : A 32 ASN : amide:sc= -0.0255 X(o=-0.026,f=-0.0064) USER MOD Single : A 33 MET CE :methyl 148:sc= -4.19! (180deg=-5.2!) USER MOD Single : A 34 THR OG1 : rot -152:sc= -1.33! USER MOD Single : A 35 GLN :FLIP amide:sc= -4.59! C(o=-5.9!,f=-4.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -77:sc= 1.21 USER MOD Single : A 50 SER OG : rot 10:sc= 0.93 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -171:sc= 0.173 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0925 USER MOD Single : A 70 TYR OH : rot -158:sc= -1.17 USER MOD Single : A 72 THR OG1 : rot -165:sc= 0.415 USER MOD Single : A 74 LYS NZ :NH3+ -141:sc= 1.23 (180deg=-0.148!) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.1! C(o=-4.5!,f=-3.1!) USER MOD Single : A 89 GLN :FLIP amide:sc= -2.16! C(o=-4.4!,f=-2.2!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.228) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 7.857 -2.840 6.482 1.00 0.00 N ATOM 302 CA THR A 22 6.931 -3.856 6.022 1.00 0.00 C ATOM 303 C THR A 22 5.542 -3.255 5.855 1.00 0.00 C ATOM 304 O THR A 22 4.678 -3.820 5.188 1.00 0.00 O ATOM 305 CB THR A 22 6.881 -5.027 7.023 1.00 0.00 C ATOM 306 OG1 THR A 22 6.522 -4.537 8.321 1.00 0.00 O ATOM 307 CG2 THR A 22 8.230 -5.723 7.110 1.00 0.00 C ATOM 0 HA THR A 22 7.275 -4.233 5.059 1.00 0.00 H new ATOM 0 HB THR A 22 6.137 -5.743 6.674 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.626 -4.142 8.285 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.170 -6.546 7.823 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.503 -6.112 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.986 -5.011 7.441 1.00 0.00 H new ATOM 315 N ASN A 23 5.349 -2.096 6.471 1.00 0.00 N ATOM 316 CA ASN A 23 4.075 -1.393 6.434 1.00 0.00 C ATOM 317 C ASN A 23 3.923 -0.665 5.111 1.00 0.00 C ATOM 318 O ASN A 23 4.798 0.110 4.717 1.00 0.00 O ATOM 319 CB ASN A 23 4.023 -0.366 7.558 1.00 0.00 C ATOM 320 CG ASN A 23 2.631 0.190 7.777 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.631 -0.428 7.406 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.552 1.346 8.414 1.00 0.00 N ATOM 0 H ASN A 23 6.071 -1.618 7.010 1.00 0.00 H new ATOM 0 HA ASN A 23 3.272 -2.120 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.376 -0.826 8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.705 0.453 7.329 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.640 1.757 8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.403 1.827 8.705 1.00 0.00 H new ATOM 329 N LEU A 24 2.822 -0.893 4.434 1.00 0.00 N ATOM 330 CA LEU A 24 2.599 -0.276 3.145 1.00 0.00 C ATOM 331 C LEU A 24 1.316 0.532 3.146 1.00 0.00 C ATOM 332 O LEU A 24 0.220 -0.010 3.275 1.00 0.00 O ATOM 333 CB LEU A 24 2.548 -1.348 2.062 1.00 0.00 C ATOM 334 CG LEU A 24 3.497 -1.143 0.887 1.00 0.00 C ATOM 335 CD1 LEU A 24 4.927 -0.984 1.361 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.397 -2.314 -0.054 1.00 0.00 C ATOM 0 H LEU A 24 2.067 -1.500 4.753 1.00 0.00 H new ATOM 0 HA LEU A 24 3.425 0.404 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.768 -2.312 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.529 -1.403 1.678 1.00 0.00 H new ATOM 0 HG LEU A 24 3.208 -0.229 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.581 -0.839 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.998 -0.119 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.232 -1.879 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.076 -2.165 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.667 -3.229 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.375 -2.397 -0.424 1.00 0.00 H new ATOM 348 N ILE A 25 1.468 1.833 3.010 1.00 0.00 N ATOM 349 CA ILE A 25 0.337 2.716 2.877 1.00 0.00 C ATOM 350 C ILE A 25 -0.136 2.679 1.430 1.00 0.00 C ATOM 351 O ILE A 25 0.657 2.826 0.499 1.00 0.00 O ATOM 352 CB ILE A 25 0.680 4.165 3.294 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.602 4.983 3.398 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.679 4.801 2.335 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.385 6.461 3.625 1.00 0.00 C ATOM 0 H ILE A 25 2.374 2.302 2.989 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.454 2.375 3.545 1.00 0.00 H new ATOM 0 HB ILE A 25 1.160 4.145 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.178 4.850 2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.205 4.587 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.897 5.819 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.600 4.217 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.256 4.823 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.349 6.965 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.162 6.610 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.189 6.876 2.797 1.00 0.00 H new ATOM 367 N VAL A 26 -1.407 2.428 1.233 1.00 0.00 N ATOM 368 CA VAL A 26 -1.944 2.346 -0.106 1.00 0.00 C ATOM 369 C VAL A 26 -3.003 3.410 -0.301 1.00 0.00 C ATOM 370 O VAL A 26 -4.094 3.330 0.258 1.00 0.00 O ATOM 371 CB VAL A 26 -2.531 0.963 -0.400 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.835 0.824 -1.883 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.562 -0.107 0.048 1.00 0.00 C ATOM 0 H VAL A 26 -2.087 2.277 1.978 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.124 2.512 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.464 0.845 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.252 -0.164 -2.078 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.555 1.587 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.916 0.950 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.983 -1.090 -0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.620 0.007 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.383 -0.011 1.119 1.00 0.00 H new ATOM 383 N ASN A 27 -2.656 4.413 -1.075 1.00 0.00 N ATOM 384 CA ASN A 27 -3.539 5.532 -1.328 1.00 0.00 C ATOM 385 C ASN A 27 -4.347 5.267 -2.580 1.00 0.00 C ATOM 386 O ASN A 27 -4.119 4.274 -3.274 1.00 0.00 O ATOM 387 CB ASN A 27 -2.736 6.817 -1.524 1.00 0.00 C ATOM 388 CG ASN A 27 -3.312 7.996 -0.766 1.00 0.00 C ATOM 389 OD1 ASN A 27 -4.266 8.636 -1.211 1.00 0.00 O ATOM 390 ND2 ASN A 27 -2.692 8.319 0.356 1.00 0.00 N ATOM 0 H ASN A 27 -1.754 4.477 -1.547 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.200 5.650 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.709 6.650 -1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.700 7.058 -2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.000 9.129 0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.906 7.758 0.684 1.00 0.00 H new ATOM 397 N TYR A 28 -5.277 6.164 -2.858 1.00 0.00 N ATOM 398 CA TYR A 28 -6.077 6.122 -4.074 1.00 0.00 C ATOM 399 C TYR A 28 -6.836 4.803 -4.207 1.00 0.00 C ATOM 400 O TYR A 28 -7.090 4.330 -5.314 1.00 0.00 O ATOM 401 CB TYR A 28 -5.189 6.359 -5.294 1.00 0.00 C ATOM 402 CG TYR A 28 -4.437 7.675 -5.250 1.00 0.00 C ATOM 403 CD1 TYR A 28 -3.086 7.701 -4.944 1.00 0.00 C ATOM 404 CD2 TYR A 28 -5.077 8.881 -5.495 1.00 0.00 C ATOM 405 CE1 TYR A 28 -2.383 8.890 -4.885 1.00 0.00 C ATOM 406 CE2 TYR A 28 -4.383 10.079 -5.443 1.00 0.00 C ATOM 407 CZ TYR A 28 -3.036 10.078 -5.136 1.00 0.00 C ATOM 408 OH TYR A 28 -2.342 11.269 -5.083 1.00 0.00 O ATOM 0 H TYR A 28 -5.501 6.947 -2.244 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.819 6.918 -4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.471 5.542 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.805 6.332 -6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.571 6.772 -4.747 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.131 8.886 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.330 8.888 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.893 11.010 -5.642 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.949 12.011 -5.286 1.00 0.00 H new ATOM 418 N LEU A 29 -7.192 4.214 -3.071 1.00 0.00 N ATOM 419 CA LEU A 29 -8.028 3.022 -3.060 1.00 0.00 C ATOM 420 C LEU A 29 -9.406 3.368 -3.598 1.00 0.00 C ATOM 421 O LEU A 29 -9.898 4.481 -3.383 1.00 0.00 O ATOM 422 CB LEU A 29 -8.172 2.466 -1.640 1.00 0.00 C ATOM 423 CG LEU A 29 -6.883 1.967 -0.992 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.191 1.213 0.292 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.112 1.084 -1.956 1.00 0.00 C ATOM 0 H LEU A 29 -6.914 4.543 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.555 2.265 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.598 3.244 -1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.888 1.644 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.264 2.829 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.261 0.864 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.704 1.876 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.829 0.358 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.196 0.737 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.725 0.226 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.861 1.654 -2.850 1.00 0.00 H new ATOM 437 N PRO A 30 -10.045 2.433 -4.310 1.00 0.00 N ATOM 438 CA PRO A 30 -11.411 2.624 -4.784 1.00 0.00 C ATOM 439 C PRO A 30 -12.336 2.917 -3.611 1.00 0.00 C ATOM 440 O PRO A 30 -12.253 2.263 -2.568 1.00 0.00 O ATOM 441 CB PRO A 30 -11.783 1.288 -5.420 1.00 0.00 C ATOM 442 CG PRO A 30 -10.487 0.612 -5.705 1.00 0.00 C ATOM 443 CD PRO A 30 -9.497 1.123 -4.697 1.00 0.00 C ATOM 0 HA PRO A 30 -11.498 3.459 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.398 0.690 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.359 1.435 -6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.591 -0.470 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.153 0.830 -6.719 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.414 0.454 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.499 1.216 -5.126 1.00 0.00 H new ATOM 451 N GLN A 31 -13.224 3.878 -3.789 1.00 0.00 N ATOM 452 CA GLN A 31 -14.031 4.393 -2.690 1.00 0.00 C ATOM 453 C GLN A 31 -15.024 3.357 -2.160 1.00 0.00 C ATOM 454 O GLN A 31 -15.590 3.526 -1.081 1.00 0.00 O ATOM 455 CB GLN A 31 -14.766 5.648 -3.140 1.00 0.00 C ATOM 456 CG GLN A 31 -13.834 6.780 -3.537 1.00 0.00 C ATOM 457 CD GLN A 31 -12.990 7.282 -2.384 1.00 0.00 C ATOM 458 OE1 GLN A 31 -11.807 6.716 -2.226 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -13.392 8.182 -1.649 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.408 4.322 -4.689 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.356 4.634 -1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.408 5.401 -3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.417 5.988 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.179 6.440 -4.339 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.423 7.606 -3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.312 8.594 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.805 8.517 -0.885 1.00 0.00 H new ATOM 468 N ASN A 32 -15.228 2.287 -2.915 1.00 0.00 N ATOM 469 CA ASN A 32 -16.157 1.238 -2.516 1.00 0.00 C ATOM 470 C ASN A 32 -15.431 -0.081 -2.258 1.00 0.00 C ATOM 471 O ASN A 32 -16.066 -1.125 -2.100 1.00 0.00 O ATOM 472 CB ASN A 32 -17.216 1.040 -3.604 1.00 0.00 C ATOM 473 CG ASN A 32 -16.634 0.474 -4.886 1.00 0.00 C ATOM 474 OD1 ASN A 32 -16.122 1.209 -5.725 1.00 0.00 O ATOM 475 ND2 ASN A 32 -16.725 -0.837 -5.055 1.00 0.00 N ATOM 0 H ASN A 32 -14.763 2.122 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.637 1.548 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.991 0.369 -3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.696 1.995 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.362 -1.268 -5.905 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.158 -1.415 -4.335 1.00 0.00 H new ATOM 482 N MET A 33 -14.105 -0.046 -2.226 1.00 0.00 N ATOM 483 CA MET A 33 -13.327 -1.263 -2.035 1.00 0.00 C ATOM 484 C MET A 33 -13.303 -1.681 -0.565 1.00 0.00 C ATOM 485 O MET A 33 -13.646 -0.893 0.315 1.00 0.00 O ATOM 486 CB MET A 33 -11.905 -1.062 -2.539 1.00 0.00 C ATOM 487 CG MET A 33 -11.376 -2.264 -3.290 1.00 0.00 C ATOM 488 SD MET A 33 -9.696 -2.043 -3.888 1.00 0.00 S ATOM 489 CE MET A 33 -8.849 -1.555 -2.391 1.00 0.00 C ATOM 0 H MET A 33 -13.550 0.804 -2.329 1.00 0.00 H new ATOM 0 HA MET A 33 -13.804 -2.058 -2.608 1.00 0.00 H new ATOM 0 HB2 MET A 33 -11.875 -0.189 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.251 -0.850 -1.693 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.410 -3.136 -2.637 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.031 -2.473 -4.136 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.821 -1.917 -2.420 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.849 -0.468 -2.311 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.360 -1.982 -1.528 1.00 0.00 H new ATOM 499 N THR A 34 -12.890 -2.921 -0.310 1.00 0.00 N ATOM 500 CA THR A 34 -12.900 -3.480 1.038 1.00 0.00 C ATOM 501 C THR A 34 -11.482 -3.761 1.523 1.00 0.00 C ATOM 502 O THR A 34 -10.535 -3.694 0.733 1.00 0.00 O ATOM 503 CB THR A 34 -13.694 -4.802 1.075 1.00 0.00 C ATOM 504 OG1 THR A 34 -12.965 -5.823 0.381 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.049 -4.632 0.413 1.00 0.00 C ATOM 0 H THR A 34 -12.542 -3.560 -1.025 1.00 0.00 H new ATOM 0 HA THR A 34 -13.372 -2.744 1.689 1.00 0.00 H new ATOM 0 HB THR A 34 -13.838 -5.086 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.592 -6.482 0.017 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.593 -5.576 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.617 -3.865 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.911 -4.333 -0.626 1.00 0.00 H new ATOM 513 N GLN A 35 -11.329 -4.062 2.816 1.00 0.00 N ATOM 514 CA GLN A 35 -10.054 -4.563 3.322 1.00 0.00 C ATOM 515 C GLN A 35 -9.646 -5.775 2.524 1.00 0.00 C ATOM 516 O GLN A 35 -8.533 -5.858 2.054 1.00 0.00 O ATOM 517 CB GLN A 35 -10.109 -4.989 4.794 1.00 0.00 C ATOM 518 CG GLN A 35 -10.441 -3.888 5.777 1.00 0.00 C ATOM 519 CD GLN A 35 -11.906 -3.488 5.767 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.785 -4.432 5.458 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -12.247 -2.339 6.035 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.062 -3.969 3.520 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.344 -3.741 3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.851 -5.781 4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.145 -5.418 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.168 -4.214 6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.832 -3.013 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.543 -1.639 6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.235 -2.085 6.024 1.00 0.00 H new ATOM 530 N ASP A 36 -10.585 -6.693 2.363 1.00 0.00 N ATOM 531 CA ASP A 36 -10.336 -7.972 1.706 1.00 0.00 C ATOM 532 C ASP A 36 -9.799 -7.779 0.290 1.00 0.00 C ATOM 533 O ASP A 36 -8.946 -8.534 -0.159 1.00 0.00 O ATOM 534 CB ASP A 36 -11.633 -8.784 1.685 1.00 0.00 C ATOM 535 CG ASP A 36 -11.498 -10.111 0.964 1.00 0.00 C ATOM 536 OD1 ASP A 36 -12.049 -10.242 -0.148 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.855 -11.036 1.509 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.546 -6.575 2.684 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.574 -8.512 2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.956 -8.966 2.710 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.414 -8.195 1.205 1.00 0.00 H new ATOM 542 N GLU A 37 -10.284 -6.756 -0.402 1.00 0.00 N ATOM 543 CA GLU A 37 -9.781 -6.432 -1.732 1.00 0.00 C ATOM 544 C GLU A 37 -8.371 -5.864 -1.631 1.00 0.00 C ATOM 545 O GLU A 37 -7.447 -6.334 -2.298 1.00 0.00 O ATOM 546 CB GLU A 37 -10.683 -5.399 -2.400 1.00 0.00 C ATOM 547 CG GLU A 37 -12.131 -5.834 -2.568 1.00 0.00 C ATOM 548 CD GLU A 37 -12.316 -6.850 -3.673 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.536 -8.037 -3.357 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.260 -6.469 -4.859 1.00 0.00 O1- ATOM 0 H GLU A 37 -11.023 -6.138 -0.066 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.769 -7.345 -2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.659 -4.481 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.274 -5.159 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.489 -6.256 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.746 -4.959 -2.779 1.00 0.00 H new ATOM 557 N LEU A 38 -8.225 -4.857 -0.775 1.00 0.00 N ATOM 558 CA LEU A 38 -6.943 -4.213 -0.524 1.00 0.00 C ATOM 559 C LEU A 38 -5.936 -5.249 -0.008 1.00 0.00 C ATOM 560 O LEU A 38 -4.743 -5.187 -0.285 1.00 0.00 O ATOM 561 CB LEU A 38 -7.176 -3.055 0.482 1.00 0.00 C ATOM 562 CG LEU A 38 -5.957 -2.225 0.897 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.264 -2.842 2.095 1.00 0.00 C ATOM 564 CD2 LEU A 38 -4.998 -2.079 -0.268 1.00 0.00 C ATOM 0 H LEU A 38 -8.996 -4.465 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.522 -3.795 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.914 -2.378 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.619 -3.477 1.384 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.300 -1.232 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.402 -2.234 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.959 -2.887 2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.932 -3.850 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.137 -1.487 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.664 -3.065 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.503 -1.580 -1.095 1.00 0.00 H new ATOM 576 N ARG A 39 -6.454 -6.221 0.710 1.00 0.00 N ATOM 577 CA ARG A 39 -5.658 -7.274 1.309 1.00 0.00 C ATOM 578 C ARG A 39 -5.310 -8.348 0.273 1.00 0.00 C ATOM 579 O ARG A 39 -4.161 -8.775 0.188 1.00 0.00 O ATOM 580 CB ARG A 39 -6.446 -7.870 2.490 1.00 0.00 C ATOM 581 CG ARG A 39 -5.630 -8.669 3.493 1.00 0.00 C ATOM 582 CD ARG A 39 -5.199 -10.009 2.934 1.00 0.00 C ATOM 583 NE ARG A 39 -4.450 -10.800 3.909 1.00 0.00 N ATOM 584 CZ ARG A 39 -4.082 -12.068 3.719 1.00 0.00 C ATOM 585 NH1 ARG A 39 -4.430 -12.709 2.611 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.370 -12.698 4.645 1.00 0.00 N ATOM 0 H ARG A 39 -7.453 -6.305 0.898 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.716 -6.865 1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.942 -7.056 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.229 -8.515 2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.749 -8.096 3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.219 -8.826 4.397 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.079 -10.567 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.584 -9.850 2.048 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.193 -10.354 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.982 -12.232 1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.145 -13.679 2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.104 -12.213 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.089 -13.668 4.500 1.00 0.00 H new ATOM 600 N SER A 40 -6.292 -8.771 -0.523 1.00 0.00 N ATOM 601 CA SER A 40 -6.090 -9.864 -1.474 1.00 0.00 C ATOM 602 C SER A 40 -5.165 -9.441 -2.610 1.00 0.00 C ATOM 603 O SER A 40 -4.326 -10.218 -3.062 1.00 0.00 O ATOM 604 CB SER A 40 -7.428 -10.346 -2.037 1.00 0.00 C ATOM 605 OG SER A 40 -7.254 -11.472 -2.880 1.00 0.00 O ATOM 0 H SER A 40 -7.232 -8.375 -0.528 1.00 0.00 H new ATOM 0 HA SER A 40 -5.619 -10.687 -0.937 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.099 -10.602 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.902 -9.539 -2.596 1.00 0.00 H new ATOM 0 HG SER A 40 -8.125 -11.760 -3.225 1.00 0.00 H new ATOM 611 N LEU A 41 -5.321 -8.206 -3.061 1.00 0.00 N ATOM 612 CA LEU A 41 -4.479 -7.656 -4.107 1.00 0.00 C ATOM 613 C LEU A 41 -3.030 -7.611 -3.654 1.00 0.00 C ATOM 614 O LEU A 41 -2.125 -7.863 -4.432 1.00 0.00 O ATOM 615 CB LEU A 41 -5.010 -6.268 -4.466 1.00 0.00 C ATOM 616 CG LEU A 41 -4.452 -5.611 -5.727 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.321 -4.664 -5.381 1.00 0.00 C ATOM 618 CD2 LEU A 41 -3.987 -6.658 -6.732 1.00 0.00 C ATOM 0 H LEU A 41 -6.031 -7.562 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.509 -8.288 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.093 -6.338 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.815 -5.604 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.255 -5.035 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.938 -4.207 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.689 -3.886 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.521 -5.217 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.595 -6.161 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.205 -7.271 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.828 -7.292 -7.013 1.00 0.00 H new ATOM 630 N PHE A 42 -2.808 -7.318 -2.394 1.00 0.00 N ATOM 631 CA PHE A 42 -1.464 -7.339 -1.857 1.00 0.00 C ATOM 632 C PHE A 42 -1.050 -8.753 -1.498 1.00 0.00 C ATOM 633 O PHE A 42 0.136 -9.071 -1.445 1.00 0.00 O ATOM 634 CB PHE A 42 -1.349 -6.382 -0.681 1.00 0.00 C ATOM 635 CG PHE A 42 -1.275 -4.965 -1.152 1.00 0.00 C ATOM 636 CD1 PHE A 42 -2.384 -4.353 -1.709 1.00 0.00 C ATOM 637 CD2 PHE A 42 -0.087 -4.258 -1.076 1.00 0.00 C ATOM 638 CE1 PHE A 42 -2.312 -3.067 -2.184 1.00 0.00 C ATOM 639 CE2 PHE A 42 -0.017 -2.967 -1.545 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.128 -2.377 -2.098 1.00 0.00 C ATOM 0 H PHE A 42 -3.534 -7.064 -1.724 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.769 -6.993 -2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.208 -6.506 -0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.461 -6.622 -0.097 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.317 -4.893 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.788 -4.722 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.182 -2.601 -2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.910 -2.417 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.070 -1.364 -2.467 1.00 0.00 H new ATOM 650 N SER A 43 -2.034 -9.608 -1.284 1.00 0.00 N ATOM 651 CA SER A 43 -1.780 -11.019 -1.074 1.00 0.00 C ATOM 652 C SER A 43 -1.339 -11.656 -2.391 1.00 0.00 C ATOM 653 O SER A 43 -0.802 -12.761 -2.412 1.00 0.00 O ATOM 654 CB SER A 43 -3.030 -11.715 -0.531 1.00 0.00 C ATOM 655 OG SER A 43 -2.764 -13.060 -0.160 1.00 0.00 O ATOM 0 H SER A 43 -3.019 -9.347 -1.251 1.00 0.00 H new ATOM 0 HA SER A 43 -0.985 -11.134 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.405 -11.167 0.333 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.815 -11.695 -1.287 1.00 0.00 H new ATOM 0 HG SER A 43 -3.584 -13.473 0.184 1.00 0.00 H new ATOM 661 N SER A 44 -1.570 -10.944 -3.494 1.00 0.00 N ATOM 662 CA SER A 44 -1.125 -11.397 -4.799 1.00 0.00 C ATOM 663 C SER A 44 0.397 -11.335 -4.854 1.00 0.00 C ATOM 664 O SER A 44 1.056 -12.230 -5.392 1.00 0.00 O ATOM 665 CB SER A 44 -1.748 -10.540 -5.912 1.00 0.00 C ATOM 666 OG SER A 44 -1.005 -9.353 -6.139 1.00 0.00 O ATOM 0 H SER A 44 -2.064 -10.051 -3.503 1.00 0.00 H new ATOM 0 HA SER A 44 -1.449 -12.426 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.797 -11.120 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.772 -10.282 -5.643 1.00 0.00 H new ATOM 0 HG SER A 44 -1.197 -8.706 -5.429 1.00 0.00 H new ATOM 672 N ILE A 45 0.939 -10.268 -4.277 1.00 0.00 N ATOM 673 CA ILE A 45 2.383 -10.110 -4.134 1.00 0.00 C ATOM 674 C ILE A 45 2.965 -11.204 -3.251 1.00 0.00 C ATOM 675 O ILE A 45 3.971 -11.827 -3.594 1.00 0.00 O ATOM 676 CB ILE A 45 2.722 -8.728 -3.535 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.479 -7.646 -4.575 1.00 0.00 C ATOM 678 CG2 ILE A 45 4.165 -8.670 -3.037 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.575 -7.552 -5.594 1.00 0.00 C ATOM 0 H ILE A 45 0.395 -9.493 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 45 2.825 -10.188 -5.127 1.00 0.00 H new ATOM 0 HB ILE A 45 2.072 -8.561 -2.676 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.535 -7.844 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.375 -6.684 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.367 -7.683 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.314 -9.425 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.845 -8.861 -3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.342 -6.762 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.517 -7.324 -5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.664 -8.502 -6.121 1.00 0.00 H new ATOM 691 N GLY A 46 2.306 -11.454 -2.136 1.00 0.00 N ATOM 692 CA GLY A 46 2.813 -12.409 -1.180 1.00 0.00 C ATOM 693 C GLY A 46 1.944 -12.494 0.049 1.00 0.00 C ATOM 694 O GLY A 46 0.719 -12.439 -0.047 1.00 0.00 O ATOM 0 H GLY A 46 1.425 -11.011 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.876 -13.391 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.825 -12.128 -0.889 1.00 0.00 H new ATOM 698 N GLU A 47 2.562 -12.625 1.208 1.00 0.00 N ATOM 699 CA GLU A 47 1.808 -12.744 2.440 1.00 0.00 C ATOM 700 C GLU A 47 1.665 -11.415 3.142 1.00 0.00 C ATOM 701 O GLU A 47 2.642 -10.764 3.517 1.00 0.00 O ATOM 702 CB GLU A 47 2.429 -13.776 3.370 1.00 0.00 C ATOM 703 CG GLU A 47 1.912 -15.177 3.116 1.00 0.00 C ATOM 704 CD GLU A 47 2.661 -16.225 3.907 1.00 0.00 C ATOM 705 OE1 GLU A 47 2.446 -16.317 5.132 1.00 0.00 O ATOM 706 OE2 GLU A 47 3.461 -16.969 3.306 1.00 0.00 O1- ATOM 0 H GLU A 47 3.575 -12.651 1.321 1.00 0.00 H new ATOM 0 HA GLU A 47 0.809 -13.085 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.512 -13.765 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.223 -13.499 4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.853 -15.222 3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.993 -15.403 2.053 1.00 0.00 H new ATOM 713 N VAL A 48 0.421 -11.033 3.311 1.00 0.00 N ATOM 714 CA VAL A 48 0.070 -9.801 3.975 1.00 0.00 C ATOM 715 C VAL A 48 -0.212 -10.058 5.427 1.00 0.00 C ATOM 716 O VAL A 48 -1.105 -10.824 5.789 1.00 0.00 O ATOM 717 CB VAL A 48 -1.144 -9.142 3.303 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.616 -7.932 4.089 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.800 -8.770 1.874 1.00 0.00 C ATOM 0 H VAL A 48 -0.382 -11.573 2.989 1.00 0.00 H new ATOM 0 HA VAL A 48 0.914 -9.116 3.895 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.967 -9.857 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.476 -7.486 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.900 -8.240 5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.811 -7.200 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.664 -8.303 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.037 -8.071 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.525 -9.668 1.320 1.00 0.00 H new ATOM 729 N GLU A 49 0.592 -9.413 6.241 1.00 0.00 N ATOM 730 CA GLU A 49 0.525 -9.540 7.661 1.00 0.00 C ATOM 731 C GLU A 49 -0.800 -8.983 8.169 1.00 0.00 C ATOM 732 O GLU A 49 -1.522 -9.643 8.913 1.00 0.00 O ATOM 733 CB GLU A 49 1.698 -8.809 8.258 1.00 0.00 C ATOM 734 CG GLU A 49 1.944 -9.157 9.703 1.00 0.00 C ATOM 735 CD GLU A 49 1.087 -8.376 10.675 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.337 -7.171 10.856 1.00 0.00 O ATOM 737 OE2 GLU A 49 0.171 -8.974 11.282 1.00 0.00 O1- ATOM 0 H GLU A 49 1.321 -8.776 5.919 1.00 0.00 H new ATOM 0 HA GLU A 49 0.573 -10.588 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.593 -9.038 7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.529 -7.735 8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.761 -10.222 9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.994 -8.980 9.936 1.00 0.00 H new ATOM 744 N SER A 50 -1.116 -7.764 7.742 1.00 0.00 N ATOM 745 CA SER A 50 -2.383 -7.124 8.083 1.00 0.00 C ATOM 746 C SER A 50 -2.701 -6.011 7.094 1.00 0.00 C ATOM 747 O SER A 50 -1.865 -5.151 6.843 1.00 0.00 O ATOM 748 CB SER A 50 -2.342 -6.555 9.494 1.00 0.00 C ATOM 749 OG SER A 50 -2.329 -7.580 10.476 1.00 0.00 O ATOM 0 H SER A 50 -0.506 -7.195 7.154 1.00 0.00 H new ATOM 0 HA SER A 50 -3.164 -7.883 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.456 -5.931 9.608 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.208 -5.912 9.652 1.00 0.00 H new ATOM 0 HG SER A 50 -2.192 -8.448 10.041 1.00 0.00 H new ATOM 755 N ALA A 51 -3.903 -6.023 6.536 1.00 0.00 N ATOM 756 CA ALA A 51 -4.300 -4.990 5.595 1.00 0.00 C ATOM 757 C ALA A 51 -5.529 -4.249 6.080 1.00 0.00 C ATOM 758 O ALA A 51 -6.602 -4.828 6.253 1.00 0.00 O ATOM 759 CB ALA A 51 -4.526 -5.560 4.208 1.00 0.00 C ATOM 0 H ALA A 51 -4.614 -6.731 6.718 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.479 -4.276 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.822 -4.760 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.605 -6.019 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.314 -6.312 4.248 1.00 0.00 H new ATOM 765 N LYS A 52 -5.354 -2.963 6.297 1.00 0.00 N ATOM 766 CA LYS A 52 -6.387 -2.118 6.844 1.00 0.00 C ATOM 767 C LYS A 52 -6.985 -1.231 5.762 1.00 0.00 C ATOM 768 O LYS A 52 -6.259 -0.609 4.988 1.00 0.00 O ATOM 769 CB LYS A 52 -5.769 -1.254 7.935 1.00 0.00 C ATOM 770 CG LYS A 52 -6.723 -0.288 8.591 1.00 0.00 C ATOM 771 CD LYS A 52 -5.950 0.750 9.377 1.00 0.00 C ATOM 772 CE LYS A 52 -5.175 0.129 10.521 1.00 0.00 C ATOM 773 NZ LYS A 52 -4.497 1.154 11.359 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.482 -2.473 6.096 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.186 -2.736 7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.349 -1.906 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.940 -0.690 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.337 0.200 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.401 -0.827 9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.261 1.271 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.640 1.497 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.853 -0.456 11.142 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.432 -0.562 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.979 0.685 12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.830 1.696 10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.207 1.798 11.761 1.00 0.00 H new ATOM 787 N LEU A 53 -8.303 -1.184 5.712 1.00 0.00 N ATOM 788 CA LEU A 53 -9.002 -0.276 4.830 1.00 0.00 C ATOM 789 C LEU A 53 -9.616 0.834 5.662 1.00 0.00 C ATOM 790 O LEU A 53 -10.274 0.571 6.668 1.00 0.00 O ATOM 791 CB LEU A 53 -10.092 -1.008 4.053 1.00 0.00 C ATOM 792 CG LEU A 53 -10.992 -0.116 3.205 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.515 -0.091 1.766 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.430 -0.593 3.283 1.00 0.00 C ATOM 0 H LEU A 53 -8.914 -1.772 6.279 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.297 0.141 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.620 -1.745 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.714 -1.558 4.760 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.943 0.900 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.170 0.551 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.497 0.296 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.535 -1.102 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.061 0.053 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.494 -1.617 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.769 -0.559 4.318 1.00 0.00 H new ATOM 806 N ILE A 54 -9.390 2.063 5.257 1.00 0.00 N ATOM 807 CA ILE A 54 -9.859 3.201 6.023 1.00 0.00 C ATOM 808 C ILE A 54 -11.184 3.700 5.481 1.00 0.00 C ATOM 809 O ILE A 54 -11.291 4.042 4.300 1.00 0.00 O ATOM 810 CB ILE A 54 -8.848 4.356 5.986 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.452 3.869 6.394 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.307 5.496 6.886 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.387 3.234 7.769 1.00 0.00 C ATOM 0 H ILE A 54 -8.886 2.303 4.403 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.981 2.866 7.053 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.790 4.729 4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.103 3.146 5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.763 4.713 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.578 6.306 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.275 5.862 6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.396 5.137 7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.364 2.919 7.976 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.702 3.959 8.520 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.047 2.367 7.801 1.00 0.00 H new ATOM 934 N SER A 62 -15.156 4.026 2.138 1.00 0.00 N ATOM 935 CA SER A 62 -13.707 4.013 2.073 1.00 0.00 C ATOM 936 C SER A 62 -13.177 5.389 1.687 1.00 0.00 C ATOM 937 O SER A 62 -13.658 6.005 0.738 1.00 0.00 O ATOM 938 CB SER A 62 -13.247 2.953 1.071 1.00 0.00 C ATOM 939 OG SER A 62 -13.938 1.731 1.286 1.00 0.00 O ATOM 0 HA SER A 62 -13.308 3.764 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.425 3.304 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.173 2.793 1.170 1.00 0.00 H new ATOM 0 HG SER A 62 -13.533 1.026 0.739 1.00 0.00 H new ATOM 945 N LEU A 63 -12.185 5.862 2.431 1.00 0.00 N ATOM 946 CA LEU A 63 -11.688 7.223 2.276 1.00 0.00 C ATOM 947 C LEU A 63 -10.507 7.294 1.316 1.00 0.00 C ATOM 948 O LEU A 63 -9.805 8.304 1.245 1.00 0.00 O ATOM 949 CB LEU A 63 -11.312 7.796 3.641 1.00 0.00 C ATOM 950 CG LEU A 63 -12.464 7.829 4.651 1.00 0.00 C ATOM 951 CD1 LEU A 63 -12.013 8.419 5.971 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.642 8.617 4.095 1.00 0.00 C ATOM 0 H LEU A 63 -11.707 5.320 3.151 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.487 7.824 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.496 7.205 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.935 8.809 3.505 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.784 6.802 4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.850 8.431 6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.205 7.814 6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.659 9.438 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.450 8.629 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.329 9.639 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.992 8.148 3.176 1.00 0.00 H new ATOM 964 N GLY A 64 -10.286 6.216 0.580 1.00 0.00 N ATOM 965 CA GLY A 64 -9.318 6.240 -0.498 1.00 0.00 C ATOM 966 C GLY A 64 -7.899 5.946 -0.068 1.00 0.00 C ATOM 967 O GLY A 64 -6.960 6.310 -0.767 1.00 0.00 O ATOM 0 H GLY A 64 -10.760 5.322 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.615 5.512 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.345 7.221 -0.973 1.00 0.00 H new ATOM 971 N TYR A 65 -7.726 5.293 1.069 1.00 0.00 N ATOM 972 CA TYR A 65 -6.395 4.879 1.491 1.00 0.00 C ATOM 973 C TYR A 65 -6.477 3.794 2.552 1.00 0.00 C ATOM 974 O TYR A 65 -7.533 3.572 3.150 1.00 0.00 O ATOM 975 CB TYR A 65 -5.568 6.074 1.994 1.00 0.00 C ATOM 976 CG TYR A 65 -5.992 6.638 3.321 1.00 0.00 C ATOM 977 CD1 TYR A 65 -5.213 6.433 4.446 1.00 0.00 C ATOM 978 CD2 TYR A 65 -7.149 7.390 3.447 1.00 0.00 C ATOM 979 CE1 TYR A 65 -5.573 6.960 5.664 1.00 0.00 C ATOM 980 CE2 TYR A 65 -7.521 7.919 4.664 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.728 7.703 5.772 1.00 0.00 C ATOM 982 OH TYR A 65 -7.091 8.233 6.990 1.00 0.00 O ATOM 0 H TYR A 65 -8.478 5.040 1.710 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.885 4.467 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.524 5.768 2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.617 6.868 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.308 5.850 4.366 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.768 7.564 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.953 6.792 6.532 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.428 8.499 4.750 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.930 8.730 6.893 1.00 0.00 H new ATOM 992 N GLY A 66 -5.366 3.107 2.757 1.00 0.00 N ATOM 993 CA GLY A 66 -5.310 2.045 3.732 1.00 0.00 C ATOM 994 C GLY A 66 -3.886 1.666 4.064 1.00 0.00 C ATOM 995 O GLY A 66 -2.945 2.282 3.560 1.00 0.00 O ATOM 0 H GLY A 66 -4.492 3.270 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.825 2.358 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.839 1.172 3.350 1.00 0.00 H new ATOM 999 N PHE A 67 -3.724 0.649 4.895 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.408 0.254 5.379 1.00 0.00 C ATOM 1001 C PHE A 67 -2.272 -1.261 5.378 1.00 0.00 C ATOM 1002 O PHE A 67 -2.881 -1.942 6.200 1.00 0.00 O ATOM 1003 CB PHE A 67 -2.189 0.777 6.806 1.00 0.00 C ATOM 1004 CG PHE A 67 -2.169 2.276 6.918 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -0.981 2.978 6.801 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -3.339 2.981 7.144 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -0.961 4.357 6.909 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -3.326 4.357 7.251 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.136 5.047 7.132 1.00 0.00 C ATOM 0 H PHE A 67 -4.491 0.078 5.251 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.659 0.683 4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.978 0.387 7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.246 0.383 7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.060 2.443 6.623 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.273 2.448 7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.028 4.893 6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.246 4.894 7.428 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.124 6.124 7.213 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.479 -1.790 4.464 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.212 -3.212 4.439 1.00 0.00 C ATOM 1021 C VAL A 68 0.231 -3.498 4.825 1.00 0.00 C ATOM 1022 O VAL A 68 1.177 -3.151 4.123 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.602 -3.863 3.081 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.811 -2.818 2.012 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.594 -4.911 2.616 1.00 0.00 C ATOM 0 H VAL A 68 -1.011 -1.256 3.732 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.851 -3.680 5.188 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.546 -4.381 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.082 -3.305 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.611 -2.143 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.891 -2.251 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.918 -5.331 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.384 -4.446 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.527 -5.706 3.359 1.00 0.00 H new ATOM 1035 N ASN A 69 0.375 -4.079 5.996 1.00 0.00 N ATOM 1036 CA ASN A 69 1.652 -4.532 6.495 1.00 0.00 C ATOM 1037 C ASN A 69 1.953 -5.890 5.899 1.00 0.00 C ATOM 1038 O ASN A 69 1.100 -6.777 5.917 1.00 0.00 O ATOM 1039 CB ASN A 69 1.605 -4.653 8.013 1.00 0.00 C ATOM 1040 CG ASN A 69 2.983 -4.785 8.631 1.00 0.00 C ATOM 1041 OD1 ASN A 69 3.931 -4.138 8.207 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.110 -5.652 9.619 1.00 0.00 N ATOM 0 H ASN A 69 -0.401 -4.251 6.635 1.00 0.00 H new ATOM 0 HA ASN A 69 2.426 -3.816 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.107 -3.777 8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.004 -5.520 8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.021 -5.799 10.054 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.297 -6.174 9.947 1.00 0.00 H new ATOM 1049 N TYR A 70 3.134 -6.050 5.352 1.00 0.00 N ATOM 1050 CA TYR A 70 3.559 -7.335 4.847 1.00 0.00 C ATOM 1051 C TYR A 70 4.333 -8.091 5.909 1.00 0.00 C ATOM 1052 O TYR A 70 4.786 -7.516 6.898 1.00 0.00 O ATOM 1053 CB TYR A 70 4.440 -7.158 3.612 1.00 0.00 C ATOM 1054 CG TYR A 70 3.695 -7.061 2.306 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.531 -5.846 1.654 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.171 -8.202 1.715 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.866 -5.778 0.447 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.504 -8.138 0.512 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.355 -6.925 -0.116 1.00 0.00 C ATOM 1060 OH TYR A 70 1.703 -6.863 -1.320 1.00 0.00 O ATOM 0 H TYR A 70 3.821 -5.304 5.245 1.00 0.00 H new ATOM 0 HA TYR A 70 2.669 -7.903 4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.040 -6.257 3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.133 -7.997 3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.928 -4.944 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.288 -9.156 2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.747 -4.829 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.101 -9.035 0.065 1.00 0.00 H new ATOM 0 HH TYR A 70 1.119 -7.644 -1.416 1.00 0.00 H new ATOM 1070 N VAL A 71 4.476 -9.390 5.692 1.00 0.00 N ATOM 1071 CA VAL A 71 5.277 -10.229 6.571 1.00 0.00 C ATOM 1072 C VAL A 71 6.753 -10.069 6.219 1.00 0.00 C ATOM 1073 O VAL A 71 7.639 -10.607 6.883 1.00 0.00 O ATOM 1074 CB VAL A 71 4.875 -11.713 6.449 1.00 0.00 C ATOM 1075 CG1 VAL A 71 3.400 -11.887 6.774 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.188 -12.251 5.060 1.00 0.00 C ATOM 0 H VAL A 71 4.046 -9.887 4.912 1.00 0.00 H new ATOM 0 HA VAL A 71 5.101 -9.913 7.599 1.00 0.00 H new ATOM 0 HB VAL A 71 5.460 -12.287 7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.129 -12.939 6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.210 -11.549 7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.802 -11.298 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.895 -13.299 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.637 -11.678 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.257 -12.162 4.868 1.00 0.00 H new ATOM 1086 N THR A 72 6.983 -9.321 5.152 1.00 0.00 N ATOM 1087 CA THR A 72 8.305 -9.070 4.614 1.00 0.00 C ATOM 1088 C THR A 72 8.436 -7.610 4.214 1.00 0.00 C ATOM 1089 O THR A 72 7.450 -6.965 3.868 1.00 0.00 O ATOM 1090 CB THR A 72 8.530 -9.907 3.347 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.300 -10.000 2.624 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.057 -11.295 3.651 1.00 0.00 C ATOM 0 H THR A 72 6.238 -8.863 4.627 1.00 0.00 H new ATOM 0 HA THR A 72 9.033 -9.330 5.383 1.00 0.00 H new ATOM 0 HB THR A 72 9.289 -9.405 2.748 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.364 -10.718 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.198 -11.843 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.011 -11.216 4.173 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.342 -11.826 4.280 1.00 0.00 H new ATOM 1100 N ALA A 73 9.644 -7.086 4.260 1.00 0.00 N ATOM 1101 CA ALA A 73 9.913 -5.801 3.645 1.00 0.00 C ATOM 1102 C ALA A 73 10.224 -6.037 2.175 1.00 0.00 C ATOM 1103 O ALA A 73 10.172 -5.128 1.346 1.00 0.00 O ATOM 1104 CB ALA A 73 11.059 -5.088 4.341 1.00 0.00 C ATOM 0 H ALA A 73 10.447 -7.524 4.711 1.00 0.00 H new ATOM 0 HA ALA A 73 9.040 -5.155 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.237 -4.128 3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.804 -4.925 5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.960 -5.699 4.278 1.00 0.00 H new ATOM 1110 N LYS A 74 10.524 -7.294 1.879 1.00 0.00 N ATOM 1111 CA LYS A 74 10.775 -7.758 0.526 1.00 0.00 C ATOM 1112 C LYS A 74 9.526 -7.628 -0.346 1.00 0.00 C ATOM 1113 O LYS A 74 9.565 -7.013 -1.414 1.00 0.00 O ATOM 1114 CB LYS A 74 11.260 -9.209 0.594 1.00 0.00 C ATOM 1115 CG LYS A 74 11.238 -9.929 -0.730 1.00 0.00 C ATOM 1116 CD LYS A 74 10.180 -11.010 -0.735 1.00 0.00 C ATOM 1117 CE LYS A 74 9.801 -11.371 -2.152 1.00 0.00 C ATOM 1118 NZ LYS A 74 8.696 -12.364 -2.201 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.600 -8.028 2.583 1.00 0.00 H new ATOM 0 HA LYS A 74 11.543 -7.138 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.277 -9.223 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.638 -9.756 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.042 -9.218 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.216 -10.369 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.551 -11.893 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.299 -10.668 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.502 -10.470 -2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.672 -11.774 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.874 -13.044 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.643 -12.870 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.796 -11.873 -2.376 1.00 0.00 H new ATOM 1132 N ASP A 75 8.420 -8.192 0.116 1.00 0.00 N ATOM 1133 CA ASP A 75 7.163 -8.132 -0.628 1.00 0.00 C ATOM 1134 C ASP A 75 6.551 -6.742 -0.538 1.00 0.00 C ATOM 1135 O ASP A 75 5.697 -6.381 -1.339 1.00 0.00 O ATOM 1136 CB ASP A 75 6.176 -9.189 -0.122 1.00 0.00 C ATOM 1137 CG ASP A 75 6.613 -10.600 -0.469 1.00 0.00 C ATOM 1138 OD1 ASP A 75 7.175 -11.291 0.407 1.00 0.00 O ATOM 1139 OD2 ASP A 75 6.420 -11.024 -1.627 1.00 0.00 O1- ATOM 0 H ASP A 75 8.364 -8.696 1.001 1.00 0.00 H new ATOM 0 HA ASP A 75 7.380 -8.345 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.074 -9.099 0.959 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.193 -9.000 -0.552 1.00 0.00 H new ATOM 1144 N ALA A 76 7.008 -5.958 0.430 1.00 0.00 N ATOM 1145 CA ALA A 76 6.578 -4.569 0.552 1.00 0.00 C ATOM 1146 C ALA A 76 7.051 -3.766 -0.653 1.00 0.00 C ATOM 1147 O ALA A 76 6.247 -3.154 -1.356 1.00 0.00 O ATOM 1148 CB ALA A 76 7.105 -3.965 1.848 1.00 0.00 C ATOM 0 H ALA A 76 7.675 -6.258 1.141 1.00 0.00 H new ATOM 0 HA ALA A 76 5.489 -4.536 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.777 -2.929 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.721 -4.532 2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.194 -4.002 1.850 1.00 0.00 H new ATOM 1154 N GLU A 77 8.354 -3.790 -0.901 1.00 0.00 N ATOM 1155 CA GLU A 77 8.912 -3.164 -2.091 1.00 0.00 C ATOM 1156 C GLU A 77 8.356 -3.830 -3.340 1.00 0.00 C ATOM 1157 O GLU A 77 8.124 -3.171 -4.351 1.00 0.00 O ATOM 1158 CB GLU A 77 10.442 -3.250 -2.062 1.00 0.00 C ATOM 1159 CG GLU A 77 11.096 -2.857 -3.375 1.00 0.00 C ATOM 1160 CD GLU A 77 12.602 -2.740 -3.272 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.133 -1.645 -3.540 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.260 -3.740 -2.920 1.00 0.00 O1- ATOM 0 H GLU A 77 9.043 -4.236 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 77 8.628 -2.112 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.819 -2.604 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.736 -4.269 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.845 -3.597 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.685 -1.904 -3.709 1.00 0.00 H new ATOM 1169 N ARG A 78 8.097 -5.131 -3.252 1.00 0.00 N ATOM 1170 CA ARG A 78 7.556 -5.874 -4.366 1.00 0.00 C ATOM 1171 C ARG A 78 6.162 -5.365 -4.707 1.00 0.00 C ATOM 1172 O ARG A 78 5.786 -5.290 -5.871 1.00 0.00 O ATOM 1173 CB ARG A 78 7.528 -7.359 -4.029 1.00 0.00 C ATOM 1174 CG ARG A 78 7.070 -8.243 -5.168 1.00 0.00 C ATOM 1175 CD ARG A 78 7.277 -9.708 -4.846 1.00 0.00 C ATOM 1176 NE ARG A 78 6.710 -10.579 -5.875 1.00 0.00 N ATOM 1177 CZ ARG A 78 7.357 -10.965 -6.976 1.00 0.00 C ATOM 1178 NH1 ARG A 78 8.585 -10.522 -7.227 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.767 -11.786 -7.834 1.00 0.00 N ATOM 0 H ARG A 78 8.257 -5.688 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 78 8.192 -5.730 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.527 -7.670 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.869 -7.514 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.015 -8.059 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.620 -7.986 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.343 -9.910 -4.747 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.818 -9.936 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 78 5.756 -10.914 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.039 -9.882 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.073 -10.822 -8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.821 -12.121 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.259 -12.083 -8.677 1.00 0.00 H new ATOM 1193 N ALA A 79 5.401 -4.990 -3.691 1.00 0.00 N ATOM 1194 CA ALA A 79 4.085 -4.422 -3.917 1.00 0.00 C ATOM 1195 C ALA A 79 4.205 -3.036 -4.530 1.00 0.00 C ATOM 1196 O ALA A 79 3.396 -2.648 -5.361 1.00 0.00 O ATOM 1197 CB ALA A 79 3.272 -4.382 -2.631 1.00 0.00 C ATOM 0 H ALA A 79 5.670 -5.068 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 79 3.554 -5.064 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.291 -3.951 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.151 -5.394 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.791 -3.772 -1.892 1.00 0.00 H new ATOM 1203 N ILE A 80 5.221 -2.291 -4.130 1.00 0.00 N ATOM 1204 CA ILE A 80 5.433 -0.953 -4.674 1.00 0.00 C ATOM 1205 C ILE A 80 5.985 -0.981 -6.086 1.00 0.00 C ATOM 1206 O ILE A 80 5.785 -0.051 -6.857 1.00 0.00 O ATOM 1207 CB ILE A 80 6.387 -0.154 -3.802 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.946 -0.212 -2.351 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.455 1.272 -4.269 1.00 0.00 C ATOM 1210 CD1 ILE A 80 6.885 0.489 -1.422 1.00 0.00 C ATOM 0 H ILE A 80 5.909 -2.583 -3.436 1.00 0.00 H new ATOM 0 HA ILE A 80 4.452 -0.479 -4.692 1.00 0.00 H new ATOM 0 HB ILE A 80 7.381 -0.593 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.955 0.234 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.855 -1.255 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.143 1.830 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.808 1.301 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.463 1.721 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.512 0.411 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.871 0.028 -1.485 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.957 1.540 -1.702 1.00 0.00 H new ATOM 1222 N ASN A 81 6.703 -2.012 -6.440 1.00 0.00 N ATOM 1223 CA ASN A 81 7.197 -2.076 -7.793 1.00 0.00 C ATOM 1224 C ASN A 81 6.209 -2.778 -8.702 1.00 0.00 C ATOM 1225 O ASN A 81 6.166 -2.532 -9.909 1.00 0.00 O ATOM 1226 CB ASN A 81 8.582 -2.713 -7.852 1.00 0.00 C ATOM 1227 CG ASN A 81 8.688 -4.107 -7.255 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.851 -4.976 -7.489 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.737 -4.319 -6.469 1.00 0.00 N ATOM 0 H ASN A 81 6.954 -2.795 -5.837 1.00 0.00 H new ATOM 0 HA ASN A 81 7.303 -1.055 -8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.898 -2.758 -8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.285 -2.061 -7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.872 -5.231 -6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.408 -3.570 -6.301 1.00 0.00 H new ATOM 1236 N THR A 82 5.420 -3.657 -8.123 1.00 0.00 N ATOM 1237 CA THR A 82 4.412 -4.377 -8.867 1.00 0.00 C ATOM 1238 C THR A 82 3.039 -3.682 -8.829 1.00 0.00 C ATOM 1239 O THR A 82 2.531 -3.227 -9.856 1.00 0.00 O ATOM 1240 CB THR A 82 4.293 -5.812 -8.332 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.478 -6.548 -8.652 1.00 0.00 O ATOM 1242 CG2 THR A 82 3.059 -6.533 -8.867 1.00 0.00 C ATOM 0 H THR A 82 5.459 -3.891 -7.131 1.00 0.00 H new ATOM 0 HA THR A 82 4.731 -4.395 -9.909 1.00 0.00 H new ATOM 0 HB THR A 82 4.179 -5.750 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.261 -6.077 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.022 -7.543 -8.459 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.162 -5.989 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.110 -6.583 -9.955 1.00 0.00 H new ATOM 1250 N LEU A 83 2.465 -3.593 -7.630 1.00 0.00 N ATOM 1251 CA LEU A 83 1.071 -3.180 -7.442 1.00 0.00 C ATOM 1252 C LEU A 83 0.885 -1.666 -7.450 1.00 0.00 C ATOM 1253 O LEU A 83 -0.229 -1.181 -7.603 1.00 0.00 O ATOM 1254 CB LEU A 83 0.550 -3.714 -6.115 1.00 0.00 C ATOM 1255 CG LEU A 83 0.442 -5.236 -5.998 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.123 -5.613 -4.640 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.419 -5.823 -7.105 1.00 0.00 C ATOM 0 H LEU A 83 2.952 -3.805 -6.759 1.00 0.00 H new ATOM 0 HA LEU A 83 0.515 -3.591 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.203 -3.354 -5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.436 -3.285 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 83 1.444 -5.652 -6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.197 -6.698 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.535 -5.239 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.113 -5.173 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.473 -6.905 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.423 -5.402 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.020 -5.583 -8.073 1.00 0.00 H new ATOM 1269 N ASN A 84 1.950 -0.925 -7.225 1.00 0.00 N ATOM 1270 CA ASN A 84 1.880 0.531 -7.222 1.00 0.00 C ATOM 1271 C ASN A 84 1.414 1.035 -8.586 1.00 0.00 C ATOM 1272 O ASN A 84 2.144 0.947 -9.575 1.00 0.00 O ATOM 1273 CB ASN A 84 3.261 1.067 -6.899 1.00 0.00 C ATOM 1274 CG ASN A 84 3.291 2.419 -6.233 1.00 0.00 C ATOM 1275 OD1 ASN A 84 4.489 2.792 -5.816 1.00 0.00 O flip ATOM 1276 ND2 ASN A 84 2.282 3.117 -6.122 1.00 0.00 N flip ATOM 0 H ASN A 84 2.879 -1.303 -7.041 1.00 0.00 H new ATOM 0 HA ASN A 84 1.165 0.876 -6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.768 0.351 -6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.836 1.124 -7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 84 1.384 2.774 -6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.344 4.038 -5.689 1.00 0.00 H new ATOM 1283 N GLY A 85 0.195 1.557 -8.635 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.405 1.931 -9.899 1.00 0.00 C ATOM 1285 C GLY A 85 -1.247 0.808 -10.477 1.00 0.00 C ATOM 1286 O GLY A 85 -1.392 0.687 -11.696 1.00 0.00 O ATOM 0 H GLY A 85 -0.390 1.728 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.026 2.816 -9.759 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.378 2.200 -10.608 1.00 0.00 H new ATOM 1290 N LEU A 86 -1.784 -0.029 -9.598 1.00 0.00 N ATOM 1291 CA LEU A 86 -2.617 -1.155 -10.002 1.00 0.00 C ATOM 1292 C LEU A 86 -4.044 -0.688 -10.219 1.00 0.00 C ATOM 1293 O LEU A 86 -4.505 0.240 -9.553 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.599 -2.239 -8.914 1.00 0.00 C ATOM 1295 CG LEU A 86 -2.404 -3.685 -9.386 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -3.604 -4.177 -10.178 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.132 -3.799 -10.211 1.00 0.00 C ATOM 0 H LEU A 86 -1.655 0.053 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.223 -1.568 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.802 -2.001 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.538 -2.184 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.311 -4.319 -8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.433 -5.205 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.495 -4.135 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.746 -3.544 -11.054 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.003 -4.830 -10.541 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.203 -3.146 -11.081 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.277 -3.503 -9.604 1.00 0.00 H new ATOM 1309 N ARG A 87 -4.737 -1.318 -11.151 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.141 -1.028 -11.359 1.00 0.00 C ATOM 1311 C ARG A 87 -7.001 -1.920 -10.480 1.00 0.00 C ATOM 1312 O ARG A 87 -7.439 -2.992 -10.892 1.00 0.00 O ATOM 1313 CB ARG A 87 -6.514 -1.208 -12.829 1.00 0.00 C ATOM 1314 CG ARG A 87 -5.972 -0.111 -13.725 1.00 0.00 C ATOM 1315 CD ARG A 87 -6.667 1.214 -13.462 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.096 2.293 -14.259 1.00 0.00 N ATOM 1317 CZ ARG A 87 -6.703 3.454 -14.495 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -7.924 3.688 -14.025 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.085 4.384 -15.209 1.00 0.00 N ATOM 0 H ARG A 87 -4.351 -2.030 -11.772 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.323 0.011 -11.083 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.138 -2.170 -13.177 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.600 -1.238 -12.920 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.900 -0.000 -13.560 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.106 -0.393 -14.769 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.729 1.118 -13.688 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.587 1.462 -12.404 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.170 2.149 -14.662 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.405 2.974 -13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.380 4.581 -14.212 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.149 4.208 -15.575 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.545 5.275 -15.393 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.240 -1.459 -9.268 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.121 -2.137 -8.345 1.00 0.00 C ATOM 1335 C LEU A 88 -9.535 -1.663 -8.573 1.00 0.00 C ATOM 1336 O LEU A 88 -9.841 -0.501 -8.323 1.00 0.00 O ATOM 1337 CB LEU A 88 -7.706 -1.849 -6.911 1.00 0.00 C ATOM 1338 CG LEU A 88 -6.996 -2.999 -6.213 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.497 -2.563 -4.852 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -7.945 -4.177 -6.075 1.00 0.00 C ATOM 0 H LEU A 88 -6.827 -0.603 -8.898 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.061 -3.212 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.051 -0.978 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.594 -1.585 -6.336 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.137 -3.302 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.991 -3.397 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.799 -1.734 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.341 -2.244 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.434 -4.999 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -8.813 -3.878 -5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.270 -4.500 -7.064 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.386 -2.543 -9.089 1.00 0.00 N ATOM 1353 CA GLN A 89 -11.758 -2.173 -9.425 1.00 0.00 C ATOM 1354 C GLN A 89 -11.744 -0.977 -10.362 1.00 0.00 C ATOM 1355 O GLN A 89 -12.608 -0.099 -10.296 1.00 0.00 O ATOM 1356 CB GLN A 89 -12.551 -1.858 -8.166 1.00 0.00 C ATOM 1357 CG GLN A 89 -12.678 -3.037 -7.213 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.530 -2.718 -6.001 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.500 -1.469 -5.574 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.196 -3.589 -5.444 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.151 -3.516 -9.284 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.242 -3.012 -9.925 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.073 -1.030 -7.644 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.548 -1.522 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.112 -3.884 -7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.685 -3.342 -6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.192 -4.543 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.752 -3.358 -4.621 1.00 0.00 H new ATOM 1369 N SER A 90 -10.706 -0.953 -11.193 1.00 0.00 N ATOM 1370 CA SER A 90 -10.523 0.061 -12.223 1.00 0.00 C ATOM 1371 C SER A 90 -10.032 1.397 -11.645 1.00 0.00 C ATOM 1372 O SER A 90 -9.936 2.399 -12.356 1.00 0.00 O ATOM 1373 CB SER A 90 -11.810 0.221 -13.002 1.00 0.00 C ATOM 1374 OG SER A 90 -12.121 -0.970 -13.712 1.00 0.00 O ATOM 0 H SER A 90 -9.959 -1.647 -11.168 1.00 0.00 H new ATOM 0 HA SER A 90 -9.738 -0.273 -12.902 1.00 0.00 H new ATOM 0 HB2 SER A 90 -12.625 0.467 -12.321 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.717 1.052 -13.701 1.00 0.00 H new ATOM 0 HG SER A 90 -12.957 -0.846 -14.208 1.00 0.00 H new ATOM 1380 N LYS A 91 -9.698 1.392 -10.360 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.129 2.562 -9.693 1.00 0.00 C ATOM 1382 C LYS A 91 -7.627 2.351 -9.523 1.00 0.00 C ATOM 1383 O LYS A 91 -7.198 1.252 -9.184 1.00 0.00 O ATOM 1384 CB LYS A 91 -9.788 2.742 -8.321 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.299 4.135 -8.034 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.160 5.123 -7.908 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.370 6.027 -6.714 1.00 0.00 C ATOM 1388 NZ LYS A 91 -8.569 7.274 -6.800 1.00 0.00 N1+ ATOM 0 H LYS A 91 -9.812 0.582 -9.751 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.308 3.455 -10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.620 2.043 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.067 2.470 -7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.970 4.450 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.881 4.128 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.216 4.587 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.088 5.722 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.427 6.282 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.104 5.490 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.501 7.708 -5.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.615 7.050 -7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.030 7.938 -7.455 1.00 0.00 H new ATOM 1402 N THR A 92 -6.826 3.382 -9.758 1.00 0.00 N ATOM 1403 CA THR A 92 -5.379 3.230 -9.652 1.00 0.00 C ATOM 1404 C THR A 92 -4.890 3.633 -8.267 1.00 0.00 C ATOM 1405 O THR A 92 -5.122 4.753 -7.820 1.00 0.00 O ATOM 1406 CB THR A 92 -4.624 4.053 -10.708 1.00 0.00 C ATOM 1407 OG1 THR A 92 -5.510 4.426 -11.772 1.00 0.00 O ATOM 1408 CG2 THR A 92 -3.461 3.257 -11.279 1.00 0.00 C ATOM 0 H THR A 92 -7.144 4.316 -10.018 1.00 0.00 H new ATOM 0 HA THR A 92 -5.169 2.175 -9.827 1.00 0.00 H new ATOM 0 HB THR A 92 -4.237 4.950 -10.225 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.019 4.951 -12.438 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.940 3.858 -12.025 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.771 2.995 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.837 2.347 -11.745 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.201 2.713 -7.611 1.00 0.00 N ATOM 1417 CA ILE A 93 -3.789 2.882 -6.227 1.00 0.00 C ATOM 1418 C ILE A 93 -2.327 3.304 -6.092 1.00 0.00 C ATOM 1419 O ILE A 93 -1.547 3.208 -7.042 1.00 0.00 O ATOM 1420 CB ILE A 93 -3.978 1.569 -5.470 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.066 0.510 -6.090 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.439 1.148 -5.523 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.153 -0.834 -5.430 1.00 0.00 C ATOM 0 H ILE A 93 -3.911 1.827 -8.024 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.411 3.674 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.709 1.692 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.317 0.402 -7.145 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.035 0.860 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.567 0.211 -4.981 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.057 1.920 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.741 1.011 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.476 -1.528 -5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.872 -0.743 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.174 -1.209 -5.501 1.00 0.00 H new ATOM 1435 N LYS A 94 -1.972 3.760 -4.900 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.605 4.147 -4.578 1.00 0.00 C ATOM 1437 C LYS A 94 -0.109 3.366 -3.373 1.00 0.00 C ATOM 1438 O LYS A 94 -0.441 3.693 -2.240 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.543 5.642 -4.261 1.00 0.00 C ATOM 1440 CG LYS A 94 0.694 6.062 -3.481 1.00 0.00 C ATOM 1441 CD LYS A 94 0.556 7.480 -2.954 1.00 0.00 C ATOM 1442 CE LYS A 94 1.425 7.710 -1.727 1.00 0.00 C ATOM 1443 NZ LYS A 94 2.867 7.475 -1.996 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.626 3.873 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 94 0.026 3.929 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.577 6.202 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.430 5.918 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.853 5.376 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.572 5.994 -4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.834 8.187 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.487 7.676 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.287 8.732 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.096 7.049 -0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.433 7.851 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.041 6.454 -2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.138 7.955 -2.878 1.00 0.00 H new ATOM 1457 N VAL A 95 0.678 2.343 -3.604 1.00 0.00 N ATOM 1458 CA VAL A 95 1.249 1.593 -2.505 1.00 0.00 C ATOM 1459 C VAL A 95 2.669 2.088 -2.251 1.00 0.00 C ATOM 1460 O VAL A 95 3.447 2.298 -3.180 1.00 0.00 O ATOM 1461 CB VAL A 95 1.203 0.069 -2.757 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.336 -0.255 -3.958 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.586 -0.513 -2.905 1.00 0.00 C ATOM 0 H VAL A 95 0.938 2.011 -4.533 1.00 0.00 H new ATOM 0 HA VAL A 95 0.649 1.763 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 95 0.751 -0.397 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.320 -1.334 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.679 0.101 -3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.743 0.234 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.512 -1.586 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.091 -0.041 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.156 -0.333 -1.993 1.00 0.00 H new ATOM 1473 N SER A 96 2.977 2.338 -0.999 1.00 0.00 N ATOM 1474 CA SER A 96 4.244 2.926 -0.612 1.00 0.00 C ATOM 1475 C SER A 96 4.512 2.592 0.850 1.00 0.00 C ATOM 1476 O SER A 96 3.603 2.184 1.559 1.00 0.00 O ATOM 1477 CB SER A 96 4.183 4.447 -0.822 1.00 0.00 C ATOM 1478 OG SER A 96 3.897 4.776 -2.175 1.00 0.00 O ATOM 0 H SER A 96 2.355 2.139 -0.215 1.00 0.00 H new ATOM 0 HA SER A 96 5.054 2.526 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.418 4.874 -0.173 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.134 4.894 -0.531 1.00 0.00 H new ATOM 0 HG SER A 96 4.631 5.311 -2.544 1.00 0.00 H new ATOM 1484 N TYR A 97 5.749 2.742 1.298 1.00 0.00 N ATOM 1485 CA TYR A 97 6.090 2.446 2.689 1.00 0.00 C ATOM 1486 C TYR A 97 5.425 3.464 3.594 1.00 0.00 C ATOM 1487 O TYR A 97 5.838 4.620 3.631 1.00 0.00 O ATOM 1488 CB TYR A 97 7.605 2.496 2.913 1.00 0.00 C ATOM 1489 CG TYR A 97 8.435 1.837 1.831 1.00 0.00 C ATOM 1490 CD1 TYR A 97 8.453 0.455 1.673 1.00 0.00 C ATOM 1491 CD2 TYR A 97 9.221 2.605 0.977 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.230 -0.139 0.694 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.997 2.020 -0.004 1.00 0.00 C ATOM 1494 CZ TYR A 97 9.999 0.648 -0.141 1.00 0.00 C ATOM 1495 OH TYR A 97 10.775 0.063 -1.113 1.00 0.00 O ATOM 0 H TYR A 97 6.531 3.064 0.727 1.00 0.00 H new ATOM 0 HA TYR A 97 5.739 1.440 2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.910 3.539 2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.832 2.018 3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.852 -0.163 2.324 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.224 3.680 1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.235 -1.213 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.598 2.633 -0.659 1.00 0.00 H new ATOM 0 HH TYR A 97 11.252 0.758 -1.613 1.00 0.00 H new ATOM 1505 N ALA A 98 4.391 3.038 4.312 1.00 0.00 N ATOM 1506 CA ALA A 98 3.688 3.936 5.211 1.00 0.00 C ATOM 1507 C ALA A 98 4.660 4.465 6.250 1.00 0.00 C ATOM 1508 O ALA A 98 5.097 3.719 7.127 1.00 0.00 O ATOM 1509 CB ALA A 98 2.501 3.242 5.867 1.00 0.00 C ATOM 0 H ALA A 98 4.027 2.086 4.288 1.00 0.00 H new ATOM 0 HA ALA A 98 3.289 4.773 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.995 3.940 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.805 2.906 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.852 2.383 6.439 1.00 0.00 H new