USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc= -0.496 K(o=0.01,f=-6.4!) USER MOD Set 1.2: A 82 THR OG1 : rot 54:sc= 0.506 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.181 K(o=0.17,f=-4.6!) USER MOD Set 2.2: A 89 GLN :FLIP amide:sc=-0.00606 F(o=-1.9,f=0.17) USER MOD Set 3.1: A 22 THR OG1 : rot 93:sc= 1.22 USER MOD Set 3.2: A 69 ASN : amide:sc= 2.27 K(o=3.5,f=-3.8!) USER MOD Single : A 23 ASN : amide:sc= -2.6! X(o=-2.6!,f=-2.3) USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -1.07 F(o=-2.1,f=-1.1) USER MOD Single : A 33 MET CE :methyl -113:sc= -3.66! (180deg=-6.05!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -2.09! USER MOD Single : A 35 GLN :FLIP amide:sc= -3.95! C(o=-5.3!,f=-4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 43:sc= 0.284 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -69:sc= 1.3 USER MOD Single : A 52 LYS NZ :NH3+ -168:sc=-0.00805 (180deg=-0.122) USER MOD Single : A 62 SER OG : rot -170:sc= 0.583 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 23:sc= -1.98 USER MOD Single : A 72 THR OG1 : rot -180:sc= 0.51 USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= 1.2 (180deg=-0.417!) USER MOD Single : A 84 ASN : amide:sc= -4! C(o=-4!,f=-9.7!) USER MOD Single : A 90 SER OG : rot -38:sc= 0.00986 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 3:sc= 1.06 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 22 8.072 -2.193 5.712 1.00 0.00 N ATOM 302 CA THR A 22 7.146 -3.239 5.332 1.00 0.00 C ATOM 303 C THR A 22 5.743 -2.656 5.207 1.00 0.00 C ATOM 304 O THR A 22 4.871 -3.216 4.543 1.00 0.00 O ATOM 305 CB THR A 22 7.152 -4.361 6.389 1.00 0.00 C ATOM 306 OG1 THR A 22 6.833 -3.817 7.676 1.00 0.00 O ATOM 307 CG2 THR A 22 8.512 -5.036 6.458 1.00 0.00 C ATOM 0 HA THR A 22 7.453 -3.657 4.373 1.00 0.00 H new ATOM 0 HB THR A 22 6.406 -5.102 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.868 -3.889 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.489 -5.824 7.211 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.753 -5.469 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.270 -4.300 6.725 1.00 0.00 H new ATOM 315 N ASN A 23 5.551 -1.520 5.865 1.00 0.00 N ATOM 316 CA ASN A 23 4.273 -0.814 5.878 1.00 0.00 C ATOM 317 C ASN A 23 4.017 -0.176 4.522 1.00 0.00 C ATOM 318 O ASN A 23 4.796 0.663 4.066 1.00 0.00 O ATOM 319 CB ASN A 23 4.314 0.274 6.947 1.00 0.00 C ATOM 320 CG ASN A 23 2.962 0.916 7.201 1.00 0.00 C ATOM 321 OD1 ASN A 23 1.915 0.289 7.041 1.00 0.00 O ATOM 322 ND2 ASN A 23 2.985 2.169 7.620 1.00 0.00 N ATOM 0 H ASN A 23 6.281 -1.059 6.408 1.00 0.00 H new ATOM 0 HA ASN A 23 3.473 -1.522 6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.686 -0.154 7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.023 1.044 6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.112 2.654 7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.876 2.651 7.739 1.00 0.00 H new ATOM 329 N LEU A 24 2.939 -0.567 3.876 1.00 0.00 N ATOM 330 CA LEU A 24 2.643 -0.071 2.549 1.00 0.00 C ATOM 331 C LEU A 24 1.344 0.716 2.528 1.00 0.00 C ATOM 332 O LEU A 24 0.262 0.174 2.745 1.00 0.00 O ATOM 333 CB LEU A 24 2.572 -1.240 1.565 1.00 0.00 C ATOM 334 CG LEU A 24 3.456 -1.120 0.327 1.00 0.00 C ATOM 335 CD1 LEU A 24 4.909 -0.892 0.710 1.00 0.00 C ATOM 336 CD2 LEU A 24 3.334 -2.371 -0.508 1.00 0.00 C ATOM 0 H LEU A 24 2.254 -1.226 4.247 1.00 0.00 H new ATOM 0 HA LEU A 24 3.444 0.605 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.843 -2.153 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.538 -1.355 1.240 1.00 0.00 H new ATOM 0 HG LEU A 24 3.120 -0.260 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.515 -0.810 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.993 0.029 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.263 -1.730 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.966 -2.282 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.650 -3.233 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.297 -2.503 -0.816 1.00 0.00 H new ATOM 348 N ILE A 25 1.468 2.004 2.269 1.00 0.00 N ATOM 349 CA ILE A 25 0.319 2.855 2.068 1.00 0.00 C ATOM 350 C ILE A 25 -0.182 2.650 0.649 1.00 0.00 C ATOM 351 O ILE A 25 0.605 2.601 -0.298 1.00 0.00 O ATOM 352 CB ILE A 25 0.654 4.349 2.299 1.00 0.00 C ATOM 353 CG1 ILE A 25 -0.638 5.160 2.351 1.00 0.00 C ATOM 354 CG2 ILE A 25 1.601 4.876 1.229 1.00 0.00 C ATOM 355 CD1 ILE A 25 -0.430 6.647 2.516 1.00 0.00 C ATOM 0 H ILE A 25 2.365 2.484 2.193 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.448 2.585 2.794 1.00 0.00 H new ATOM 0 HB ILE A 25 1.169 4.451 3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.202 4.983 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.249 4.796 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.816 5.927 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.529 4.305 1.252 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.136 4.773 0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.397 7.149 2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.105 6.839 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.153 7.028 1.677 1.00 0.00 H new ATOM 367 N VAL A 26 -1.472 2.480 0.496 1.00 0.00 N ATOM 368 CA VAL A 26 -2.032 2.255 -0.816 1.00 0.00 C ATOM 369 C VAL A 26 -3.123 3.265 -1.095 1.00 0.00 C ATOM 370 O VAL A 26 -4.175 3.252 -0.462 1.00 0.00 O ATOM 371 CB VAL A 26 -2.595 0.834 -0.958 1.00 0.00 C ATOM 372 CG1 VAL A 26 -2.916 0.541 -2.414 1.00 0.00 C ATOM 373 CG2 VAL A 26 -1.604 -0.172 -0.419 1.00 0.00 C ATOM 0 H VAL A 26 -2.151 2.493 1.257 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.227 2.372 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.516 0.758 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.315 -0.470 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.656 1.256 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.008 0.626 -3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.012 -1.177 -0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.671 -0.099 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.413 0.034 0.634 1.00 0.00 H new ATOM 383 N ASN A 27 -2.853 4.156 -2.023 1.00 0.00 N ATOM 384 CA ASN A 27 -3.817 5.167 -2.410 1.00 0.00 C ATOM 385 C ASN A 27 -4.558 4.718 -3.650 1.00 0.00 C ATOM 386 O ASN A 27 -4.218 3.692 -4.244 1.00 0.00 O ATOM 387 CB ASN A 27 -3.137 6.517 -2.681 1.00 0.00 C ATOM 388 CG ASN A 27 -3.047 7.398 -1.454 1.00 0.00 C ATOM 389 OD1 ASN A 27 -2.777 6.790 -0.323 1.00 0.00 O flip ATOM 390 ND2 ASN A 27 -3.186 8.617 -1.534 1.00 0.00 N flip ATOM 0 H ASN A 27 -1.968 4.202 -2.528 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.517 5.297 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.133 6.339 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.689 7.044 -3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.396 9.048 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.092 9.197 -0.700 1.00 0.00 H new ATOM 397 N TYR A 28 -5.570 5.487 -4.026 1.00 0.00 N ATOM 398 CA TYR A 28 -6.309 5.269 -5.263 1.00 0.00 C ATOM 399 C TYR A 28 -7.046 3.936 -5.240 1.00 0.00 C ATOM 400 O TYR A 28 -7.279 3.319 -6.279 1.00 0.00 O ATOM 401 CB TYR A 28 -5.363 5.350 -6.463 1.00 0.00 C ATOM 402 CG TYR A 28 -4.578 6.642 -6.500 1.00 0.00 C ATOM 403 CD1 TYR A 28 -5.050 7.760 -7.167 1.00 0.00 C ATOM 404 CD2 TYR A 28 -3.370 6.737 -5.833 1.00 0.00 C ATOM 405 CE1 TYR A 28 -4.331 8.943 -7.164 1.00 0.00 C ATOM 406 CE2 TYR A 28 -2.644 7.904 -5.821 1.00 0.00 C ATOM 407 CZ TYR A 28 -3.127 9.011 -6.489 1.00 0.00 C ATOM 408 OH TYR A 28 -2.415 10.192 -6.480 1.00 0.00 O ATOM 0 H TYR A 28 -5.903 6.282 -3.481 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.059 6.055 -5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.670 4.509 -6.432 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.940 5.254 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.990 7.708 -7.696 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.988 5.873 -5.309 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.709 9.809 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.703 7.954 -5.293 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.592 10.074 -5.961 1.00 0.00 H new ATOM 418 N LEU A 29 -7.408 3.501 -4.042 1.00 0.00 N ATOM 419 CA LEU A 29 -8.227 2.313 -3.873 1.00 0.00 C ATOM 420 C LEU A 29 -9.627 2.599 -4.386 1.00 0.00 C ATOM 421 O LEU A 29 -10.068 3.750 -4.378 1.00 0.00 O ATOM 422 CB LEU A 29 -8.314 1.917 -2.394 1.00 0.00 C ATOM 423 CG LEU A 29 -6.991 1.552 -1.724 1.00 0.00 C ATOM 424 CD1 LEU A 29 -7.242 0.939 -0.358 1.00 0.00 C ATOM 425 CD2 LEU A 29 -6.195 0.603 -2.598 1.00 0.00 C ATOM 0 H LEU A 29 -7.145 3.957 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.773 1.495 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.763 2.743 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.991 1.068 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.407 2.463 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.290 0.684 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.772 1.655 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.844 0.037 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.256 0.354 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.770 -0.308 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.986 1.079 -3.556 1.00 0.00 H new ATOM 437 N PRO A 30 -10.343 1.569 -4.852 1.00 0.00 N ATOM 438 CA PRO A 30 -11.736 1.724 -5.241 1.00 0.00 C ATOM 439 C PRO A 30 -12.552 2.236 -4.059 1.00 0.00 C ATOM 440 O PRO A 30 -12.411 1.735 -2.940 1.00 0.00 O ATOM 441 CB PRO A 30 -12.183 0.317 -5.627 1.00 0.00 C ATOM 442 CG PRO A 30 -10.928 -0.449 -5.870 1.00 0.00 C ATOM 443 CD PRO A 30 -9.857 0.190 -5.034 1.00 0.00 C ATOM 0 HA PRO A 30 -11.869 2.437 -6.054 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.773 -0.139 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.810 0.335 -6.518 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.056 -1.497 -5.598 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.659 -0.425 -6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.733 -0.322 -4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.889 0.168 -5.535 1.00 0.00 H new ATOM 451 N GLN A 31 -13.414 3.208 -4.309 1.00 0.00 N ATOM 452 CA GLN A 31 -14.098 3.918 -3.233 1.00 0.00 C ATOM 453 C GLN A 31 -15.132 3.037 -2.526 1.00 0.00 C ATOM 454 O GLN A 31 -15.737 3.449 -1.537 1.00 0.00 O ATOM 455 CB GLN A 31 -14.762 5.179 -3.778 1.00 0.00 C ATOM 456 CG GLN A 31 -13.787 6.109 -4.488 1.00 0.00 C ATOM 457 CD GLN A 31 -12.639 6.597 -3.611 1.00 0.00 C ATOM 458 OE1 GLN A 31 -12.873 6.733 -2.316 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 -11.541 6.856 -4.102 1.00 0.00 N flip ATOM 0 H GLN A 31 -13.659 3.526 -5.247 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.347 4.193 -2.492 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.554 4.895 -4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.235 5.717 -2.957 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.374 5.592 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.335 6.973 -4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.391 6.741 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.781 7.185 -3.507 1.00 0.00 H new ATOM 468 N ASN A 32 -15.328 1.828 -3.037 1.00 0.00 N ATOM 469 CA ASN A 32 -16.287 0.895 -2.463 1.00 0.00 C ATOM 470 C ASN A 32 -15.602 -0.382 -1.972 1.00 0.00 C ATOM 471 O ASN A 32 -16.261 -1.292 -1.471 1.00 0.00 O ATOM 472 CB ASN A 32 -17.341 0.529 -3.512 1.00 0.00 C ATOM 473 CG ASN A 32 -16.761 -0.240 -4.691 1.00 0.00 C ATOM 474 OD1 ASN A 32 -15.588 -0.088 -5.040 1.00 0.00 O ATOM 475 ND2 ASN A 32 -17.582 -1.062 -5.321 1.00 0.00 N ATOM 0 H ASN A 32 -14.832 1.470 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.758 1.382 -1.609 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -18.121 -0.070 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.815 1.440 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.251 -1.596 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -18.546 -1.162 -5.004 1.00 0.00 H new ATOM 482 N MET A 33 -14.282 -0.447 -2.112 1.00 0.00 N ATOM 483 CA MET A 33 -13.540 -1.672 -1.827 1.00 0.00 C ATOM 484 C MET A 33 -13.457 -1.964 -0.325 1.00 0.00 C ATOM 485 O MET A 33 -13.768 -1.111 0.498 1.00 0.00 O ATOM 486 CB MET A 33 -12.148 -1.572 -2.428 1.00 0.00 C ATOM 487 CG MET A 33 -11.439 -2.898 -2.461 1.00 0.00 C ATOM 488 SD MET A 33 -9.934 -2.869 -3.429 1.00 0.00 S ATOM 489 CE MET A 33 -8.908 -1.969 -2.293 1.00 0.00 C ATOM 0 H MET A 33 -13.703 0.334 -2.421 1.00 0.00 H new ATOM 0 HA MET A 33 -14.078 -2.504 -2.281 1.00 0.00 H new ATOM 0 HB2 MET A 33 -12.221 -1.177 -3.441 1.00 0.00 H new ATOM 0 HB3 MET A 33 -11.556 -0.861 -1.851 1.00 0.00 H new ATOM 0 HG2 MET A 33 -11.202 -3.201 -1.441 1.00 0.00 H new ATOM 0 HG3 MET A 33 -12.112 -3.652 -2.869 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.663 -0.995 -2.717 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.441 -1.832 -1.352 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.989 -2.527 -2.112 1.00 0.00 H new ATOM 499 N THR A 34 -13.028 -3.184 0.012 1.00 0.00 N ATOM 500 CA THR A 34 -12.971 -3.640 1.394 1.00 0.00 C ATOM 501 C THR A 34 -11.528 -3.881 1.832 1.00 0.00 C ATOM 502 O THR A 34 -10.623 -3.912 0.990 1.00 0.00 O ATOM 503 CB THR A 34 -13.751 -4.958 1.566 1.00 0.00 C ATOM 504 OG1 THR A 34 -13.012 -6.044 0.993 1.00 0.00 O ATOM 505 CG2 THR A 34 -15.106 -4.874 0.888 1.00 0.00 C ATOM 0 H THR A 34 -12.713 -3.877 -0.667 1.00 0.00 H new ATOM 0 HA THR A 34 -13.417 -2.858 2.009 1.00 0.00 H new ATOM 0 HB THR A 34 -13.894 -5.128 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.514 -6.878 1.108 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.639 -5.815 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.685 -4.063 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.969 -4.683 -0.176 1.00 0.00 H new ATOM 513 N GLN A 35 -11.309 -4.043 3.139 1.00 0.00 N ATOM 514 CA GLN A 35 -10.002 -4.462 3.644 1.00 0.00 C ATOM 515 C GLN A 35 -9.577 -5.738 2.964 1.00 0.00 C ATOM 516 O GLN A 35 -8.466 -5.844 2.489 1.00 0.00 O ATOM 517 CB GLN A 35 -10.002 -4.734 5.149 1.00 0.00 C ATOM 518 CG GLN A 35 -10.315 -3.538 6.020 1.00 0.00 C ATOM 519 CD GLN A 35 -11.782 -3.143 5.998 1.00 0.00 C ATOM 520 OE1 GLN A 35 -12.665 -4.116 5.810 1.00 0.00 O flip ATOM 521 NE2 GLN A 35 -12.119 -1.974 6.151 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.014 -3.892 3.860 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.319 -3.638 3.435 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.730 -5.517 5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.024 -5.123 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.021 -3.758 7.046 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.713 -2.691 5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.411 -1.254 6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.107 -1.722 6.136 1.00 0.00 H new ATOM 530 N ASP A 36 -10.495 -6.688 2.908 1.00 0.00 N ATOM 531 CA ASP A 36 -10.201 -8.024 2.406 1.00 0.00 C ATOM 532 C ASP A 36 -9.692 -7.974 0.972 1.00 0.00 C ATOM 533 O ASP A 36 -8.860 -8.781 0.580 1.00 0.00 O ATOM 534 CB ASP A 36 -11.455 -8.891 2.487 1.00 0.00 C ATOM 535 CG ASP A 36 -11.201 -10.332 2.087 1.00 0.00 C ATOM 536 OD1 ASP A 36 -11.561 -10.715 0.953 1.00 0.00 O ATOM 537 OD2 ASP A 36 -10.643 -11.094 2.905 1.00 0.00 O1- ATOM 0 H ASP A 36 -11.461 -6.558 3.207 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.417 -8.459 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.844 -8.865 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.225 -8.470 1.840 1.00 0.00 H new ATOM 542 N GLU A 37 -10.175 -7.012 0.196 1.00 0.00 N ATOM 543 CA GLU A 37 -9.718 -6.847 -1.176 1.00 0.00 C ATOM 544 C GLU A 37 -8.339 -6.202 -1.182 1.00 0.00 C ATOM 545 O GLU A 37 -7.417 -6.684 -1.842 1.00 0.00 O ATOM 546 CB GLU A 37 -10.694 -5.970 -1.954 1.00 0.00 C ATOM 547 CG GLU A 37 -12.141 -6.443 -1.909 1.00 0.00 C ATOM 548 CD GLU A 37 -12.381 -7.674 -2.750 1.00 0.00 C ATOM 549 OE1 GLU A 37 -12.153 -7.619 -3.977 1.00 0.00 O ATOM 550 OE2 GLU A 37 -12.810 -8.703 -2.191 1.00 0.00 O1- ATOM 0 H GLU A 37 -10.880 -6.337 0.492 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.665 -7.827 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.644 -4.955 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.372 -5.924 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.417 -6.655 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.792 -5.640 -2.255 1.00 0.00 H new ATOM 557 N LEU A 38 -8.210 -5.116 -0.421 1.00 0.00 N ATOM 558 CA LEU A 38 -6.943 -4.415 -0.251 1.00 0.00 C ATOM 559 C LEU A 38 -5.899 -5.372 0.334 1.00 0.00 C ATOM 560 O LEU A 38 -4.710 -5.292 0.046 1.00 0.00 O ATOM 561 CB LEU A 38 -7.180 -3.188 0.666 1.00 0.00 C ATOM 562 CG LEU A 38 -5.984 -2.260 0.916 1.00 0.00 C ATOM 563 CD1 LEU A 38 -5.213 -2.698 2.142 1.00 0.00 C ATOM 564 CD2 LEU A 38 -5.081 -2.214 -0.302 1.00 0.00 C ATOM 0 H LEU A 38 -8.984 -4.698 0.095 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.562 -4.064 -1.210 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.985 -2.593 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.534 -3.550 1.631 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.363 -1.254 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.369 -2.026 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.868 -2.670 3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.845 -3.714 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.239 -1.551 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.711 -3.216 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.644 -1.842 -1.158 1.00 0.00 H new ATOM 576 N ARG A 39 -6.377 -6.296 1.136 1.00 0.00 N ATOM 577 CA ARG A 39 -5.546 -7.273 1.796 1.00 0.00 C ATOM 578 C ARG A 39 -5.195 -8.406 0.833 1.00 0.00 C ATOM 579 O ARG A 39 -4.020 -8.689 0.627 1.00 0.00 O ATOM 580 CB ARG A 39 -6.295 -7.793 3.031 1.00 0.00 C ATOM 581 CG ARG A 39 -5.431 -8.400 4.125 1.00 0.00 C ATOM 582 CD ARG A 39 -5.011 -9.822 3.814 1.00 0.00 C ATOM 583 NE ARG A 39 -4.436 -10.475 4.994 1.00 0.00 N ATOM 584 CZ ARG A 39 -3.668 -11.567 4.964 1.00 0.00 C ATOM 585 NH1 ARG A 39 -3.329 -12.123 3.809 1.00 0.00 N1+ ATOM 586 NH2 ARG A 39 -3.227 -12.097 6.096 1.00 0.00 N ATOM 0 H ARG A 39 -7.370 -6.390 1.350 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.607 -6.820 2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.865 -6.969 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.016 -8.543 2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.542 -7.785 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.980 -8.385 5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.873 -10.390 3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.281 -9.820 3.004 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.638 -10.065 5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.655 -11.717 2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.742 -12.957 3.797 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.474 -11.671 6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.640 -12.931 6.074 1.00 0.00 H new ATOM 600 N SER A 40 -6.208 -9.015 0.213 1.00 0.00 N ATOM 601 CA SER A 40 -6.011 -10.208 -0.618 1.00 0.00 C ATOM 602 C SER A 40 -5.157 -9.907 -1.848 1.00 0.00 C ATOM 603 O SER A 40 -4.341 -10.727 -2.260 1.00 0.00 O ATOM 604 CB SER A 40 -7.361 -10.793 -1.049 1.00 0.00 C ATOM 605 OG SER A 40 -7.202 -12.043 -1.699 1.00 0.00 O ATOM 0 H SER A 40 -7.177 -8.701 0.270 1.00 0.00 H new ATOM 0 HA SER A 40 -5.479 -10.941 -0.011 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.001 -10.915 -0.175 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.864 -10.095 -1.718 1.00 0.00 H new ATOM 0 HG SER A 40 -8.081 -12.390 -1.960 1.00 0.00 H new ATOM 611 N LEU A 41 -5.345 -8.730 -2.426 1.00 0.00 N ATOM 612 CA LEU A 41 -4.561 -8.296 -3.574 1.00 0.00 C ATOM 613 C LEU A 41 -3.093 -8.207 -3.196 1.00 0.00 C ATOM 614 O LEU A 41 -2.219 -8.621 -3.953 1.00 0.00 O ATOM 615 CB LEU A 41 -5.114 -6.951 -4.047 1.00 0.00 C ATOM 616 CG LEU A 41 -4.735 -6.495 -5.458 1.00 0.00 C ATOM 617 CD1 LEU A 41 -3.632 -5.461 -5.405 1.00 0.00 C ATOM 618 CD2 LEU A 41 -4.321 -7.675 -6.328 1.00 0.00 C ATOM 0 H LEU A 41 -6.041 -8.052 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.636 -9.014 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.202 -6.993 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.785 -6.185 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.616 -6.040 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.377 -5.149 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.971 -4.597 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.753 -5.891 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.058 -7.318 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.460 -8.172 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.149 -8.380 -6.402 1.00 0.00 H new ATOM 630 N PHE A 42 -2.823 -7.717 -2.004 1.00 0.00 N ATOM 631 CA PHE A 42 -1.462 -7.651 -1.519 1.00 0.00 C ATOM 632 C PHE A 42 -1.014 -9.007 -0.984 1.00 0.00 C ATOM 633 O PHE A 42 0.179 -9.293 -0.915 1.00 0.00 O ATOM 634 CB PHE A 42 -1.320 -6.538 -0.480 1.00 0.00 C ATOM 635 CG PHE A 42 -1.337 -5.176 -1.117 1.00 0.00 C ATOM 636 CD1 PHE A 42 -0.194 -4.388 -1.151 1.00 0.00 C ATOM 637 CD2 PHE A 42 -2.492 -4.694 -1.713 1.00 0.00 C ATOM 638 CE1 PHE A 42 -0.211 -3.152 -1.771 1.00 0.00 C ATOM 639 CE2 PHE A 42 -2.510 -3.462 -2.325 1.00 0.00 C ATOM 640 CZ PHE A 42 -1.367 -2.698 -2.355 1.00 0.00 C ATOM 0 H PHE A 42 -3.525 -7.360 -1.356 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.800 -7.404 -2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.131 -6.611 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.388 -6.671 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.715 -4.743 -0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.390 -5.294 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.683 -2.546 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.418 -3.096 -2.780 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.379 -1.734 -2.842 1.00 0.00 H new ATOM 650 N SER A 43 -1.973 -9.855 -0.637 1.00 0.00 N ATOM 651 CA SER A 43 -1.689 -11.222 -0.268 1.00 0.00 C ATOM 652 C SER A 43 -1.290 -12.008 -1.513 1.00 0.00 C ATOM 653 O SER A 43 -0.613 -13.034 -1.438 1.00 0.00 O ATOM 654 CB SER A 43 -2.923 -11.837 0.373 1.00 0.00 C ATOM 655 OG SER A 43 -3.412 -11.020 1.418 1.00 0.00 O ATOM 0 H SER A 43 -2.963 -9.610 -0.606 1.00 0.00 H new ATOM 0 HA SER A 43 -0.867 -11.252 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.699 -11.973 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.680 -12.826 0.763 1.00 0.00 H new ATOM 0 HG SER A 43 -3.389 -10.081 1.137 1.00 0.00 H new ATOM 661 N SER A 44 -1.719 -11.501 -2.662 1.00 0.00 N ATOM 662 CA SER A 44 -1.368 -12.081 -3.938 1.00 0.00 C ATOM 663 C SER A 44 0.120 -11.879 -4.208 1.00 0.00 C ATOM 664 O SER A 44 0.766 -12.715 -4.840 1.00 0.00 O ATOM 665 CB SER A 44 -2.253 -11.484 -5.043 1.00 0.00 C ATOM 666 OG SER A 44 -1.721 -11.727 -6.334 1.00 0.00 O ATOM 0 H SER A 44 -2.318 -10.678 -2.728 1.00 0.00 H new ATOM 0 HA SER A 44 -1.550 -13.156 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.254 -11.910 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.353 -10.410 -4.888 1.00 0.00 H new ATOM 0 HG SER A 44 -2.311 -11.334 -7.010 1.00 0.00 H new ATOM 672 N ILE A 45 0.660 -10.777 -3.704 1.00 0.00 N ATOM 673 CA ILE A 45 2.102 -10.574 -3.690 1.00 0.00 C ATOM 674 C ILE A 45 2.763 -11.566 -2.746 1.00 0.00 C ATOM 675 O ILE A 45 3.706 -12.261 -3.123 1.00 0.00 O ATOM 676 CB ILE A 45 2.462 -9.133 -3.265 1.00 0.00 C ATOM 677 CG1 ILE A 45 2.165 -8.173 -4.402 1.00 0.00 C ATOM 678 CG2 ILE A 45 3.928 -9.018 -2.853 1.00 0.00 C ATOM 679 CD1 ILE A 45 3.211 -8.192 -5.477 1.00 0.00 C ATOM 0 H ILE A 45 0.121 -10.011 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 45 2.471 -10.735 -4.703 1.00 0.00 H new ATOM 0 HB ILE A 45 1.852 -8.875 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.199 -8.425 -4.839 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.081 -7.162 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.144 -7.990 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.123 -9.683 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.565 -9.298 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.940 -7.484 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.175 -7.912 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.279 -9.194 -5.901 1.00 0.00 H new ATOM 691 N GLY A 46 2.231 -11.660 -1.538 1.00 0.00 N ATOM 692 CA GLY A 46 2.840 -12.492 -0.527 1.00 0.00 C ATOM 693 C GLY A 46 2.142 -12.380 0.810 1.00 0.00 C ATOM 694 O GLY A 46 0.931 -12.169 0.869 1.00 0.00 O ATOM 0 H GLY A 46 1.386 -11.173 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.823 -13.531 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.887 -12.211 -0.412 1.00 0.00 H new ATOM 698 N GLU A 47 2.900 -12.511 1.886 1.00 0.00 N ATOM 699 CA GLU A 47 2.325 -12.497 3.221 1.00 0.00 C ATOM 700 C GLU A 47 2.137 -11.091 3.748 1.00 0.00 C ATOM 701 O GLU A 47 3.080 -10.304 3.864 1.00 0.00 O ATOM 702 CB GLU A 47 3.170 -13.317 4.185 1.00 0.00 C ATOM 703 CG GLU A 47 2.935 -14.802 4.048 1.00 0.00 C ATOM 704 CD GLU A 47 3.965 -15.628 4.789 1.00 0.00 C ATOM 705 OE1 GLU A 47 3.654 -16.124 5.892 1.00 0.00 O ATOM 706 OE2 GLU A 47 5.094 -15.783 4.275 1.00 0.00 O1- ATOM 0 H GLU A 47 3.913 -12.628 1.862 1.00 0.00 H new ATOM 0 HA GLU A 47 1.337 -12.952 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.224 -13.103 4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.948 -13.011 5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.941 -15.045 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.950 -15.072 2.992 1.00 0.00 H new ATOM 713 N VAL A 48 0.900 -10.809 4.092 1.00 0.00 N ATOM 714 CA VAL A 48 0.505 -9.504 4.583 1.00 0.00 C ATOM 715 C VAL A 48 0.336 -9.536 6.080 1.00 0.00 C ATOM 716 O VAL A 48 -0.458 -10.296 6.630 1.00 0.00 O ATOM 717 CB VAL A 48 -0.793 -9.016 3.903 1.00 0.00 C ATOM 718 CG1 VAL A 48 -1.295 -7.727 4.538 1.00 0.00 C ATOM 719 CG2 VAL A 48 -0.559 -8.833 2.413 1.00 0.00 C ATOM 0 H VAL A 48 0.134 -11.481 4.039 1.00 0.00 H new ATOM 0 HA VAL A 48 1.297 -8.798 4.333 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.565 -9.772 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.210 -7.408 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.499 -7.898 5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.536 -6.951 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.479 -8.489 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.228 -8.095 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.258 -9.784 1.972 1.00 0.00 H new ATOM 729 N GLU A 49 1.117 -8.691 6.718 1.00 0.00 N ATOM 730 CA GLU A 49 1.152 -8.598 8.145 1.00 0.00 C ATOM 731 C GLU A 49 -0.167 -8.048 8.670 1.00 0.00 C ATOM 732 O GLU A 49 -0.725 -8.564 9.639 1.00 0.00 O ATOM 733 CB GLU A 49 2.308 -7.719 8.535 1.00 0.00 C ATOM 734 CG GLU A 49 2.665 -7.825 9.996 1.00 0.00 C ATOM 735 CD GLU A 49 1.801 -6.980 10.909 1.00 0.00 C ATOM 736 OE1 GLU A 49 1.494 -5.825 10.552 1.00 0.00 O ATOM 737 OE2 GLU A 49 1.431 -7.468 11.995 1.00 0.00 O1- ATOM 0 H GLU A 49 1.750 -8.045 6.246 1.00 0.00 H new ATOM 0 HA GLU A 49 1.289 -9.585 8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.178 -7.985 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.064 -6.683 8.301 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.587 -8.868 10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.707 -7.532 10.126 1.00 0.00 H new ATOM 744 N SER A 50 -0.657 -6.995 8.022 1.00 0.00 N ATOM 745 CA SER A 50 -1.959 -6.423 8.349 1.00 0.00 C ATOM 746 C SER A 50 -2.373 -5.394 7.301 1.00 0.00 C ATOM 747 O SER A 50 -1.597 -4.507 6.962 1.00 0.00 O ATOM 748 CB SER A 50 -1.933 -5.782 9.744 1.00 0.00 C ATOM 749 OG SER A 50 -0.860 -4.864 9.872 1.00 0.00 O ATOM 0 H SER A 50 -0.169 -6.519 7.264 1.00 0.00 H new ATOM 0 HA SER A 50 -2.693 -7.229 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.877 -5.269 9.928 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.841 -6.560 10.502 1.00 0.00 H new ATOM 0 HG SER A 50 -0.010 -5.352 9.874 1.00 0.00 H new ATOM 755 N ALA A 51 -3.589 -5.517 6.784 1.00 0.00 N ATOM 756 CA ALA A 51 -4.070 -4.585 5.777 1.00 0.00 C ATOM 757 C ALA A 51 -5.298 -3.833 6.260 1.00 0.00 C ATOM 758 O ALA A 51 -6.305 -4.430 6.644 1.00 0.00 O ATOM 759 CB ALA A 51 -4.349 -5.289 4.460 1.00 0.00 C ATOM 0 H ALA A 51 -4.253 -6.246 7.043 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.278 -3.856 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.707 -4.564 3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.433 -5.752 4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.108 -6.057 4.611 1.00 0.00 H new ATOM 765 N LYS A 52 -5.192 -2.518 6.243 1.00 0.00 N ATOM 766 CA LYS A 52 -6.235 -1.643 6.724 1.00 0.00 C ATOM 767 C LYS A 52 -6.867 -0.886 5.562 1.00 0.00 C ATOM 768 O LYS A 52 -6.161 -0.342 4.712 1.00 0.00 O ATOM 769 CB LYS A 52 -5.608 -0.658 7.705 1.00 0.00 C ATOM 770 CG LYS A 52 -6.579 0.302 8.352 1.00 0.00 C ATOM 771 CD LYS A 52 -5.846 1.532 8.841 1.00 0.00 C ATOM 772 CE LYS A 52 -4.888 1.217 9.977 1.00 0.00 C ATOM 773 NZ LYS A 52 -5.596 0.767 11.203 1.00 0.00 N1+ ATOM 0 H LYS A 52 -4.371 -2.026 5.891 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.015 -2.225 7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.101 -1.221 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.845 -0.082 7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.350 0.589 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.084 -0.186 9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.292 1.975 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.570 2.275 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.191 0.442 9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.296 2.103 10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.933 0.759 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.381 1.418 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.971 -0.192 11.055 1.00 0.00 H new ATOM 787 N LEU A 53 -8.186 -0.855 5.527 1.00 0.00 N ATOM 788 CA LEU A 53 -8.911 -0.077 4.538 1.00 0.00 C ATOM 789 C LEU A 53 -9.546 1.110 5.231 1.00 0.00 C ATOM 790 O LEU A 53 -10.142 0.970 6.300 1.00 0.00 O ATOM 791 CB LEU A 53 -9.990 -0.923 3.864 1.00 0.00 C ATOM 792 CG LEU A 53 -10.934 -0.160 2.940 1.00 0.00 C ATOM 793 CD1 LEU A 53 -10.549 -0.346 1.481 1.00 0.00 C ATOM 794 CD2 LEU A 53 -12.363 -0.605 3.178 1.00 0.00 C ATOM 0 H LEU A 53 -8.783 -1.365 6.179 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.219 0.261 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.504 -1.711 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.582 -1.411 4.638 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.852 0.903 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.241 0.210 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.536 0.023 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.594 -1.405 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.031 -0.055 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.450 -1.673 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.638 -0.407 4.214 1.00 0.00 H new ATOM 806 N ILE A 54 -9.420 2.275 4.637 1.00 0.00 N ATOM 807 CA ILE A 54 -9.915 3.480 5.267 1.00 0.00 C ATOM 808 C ILE A 54 -11.276 3.850 4.716 1.00 0.00 C ATOM 809 O ILE A 54 -11.426 4.099 3.519 1.00 0.00 O ATOM 810 CB ILE A 54 -8.965 4.666 5.053 1.00 0.00 C ATOM 811 CG1 ILE A 54 -7.533 4.301 5.459 1.00 0.00 C ATOM 812 CG2 ILE A 54 -9.455 5.879 5.834 1.00 0.00 C ATOM 813 CD1 ILE A 54 -7.393 3.818 6.886 1.00 0.00 C ATOM 0 H ILE A 54 -8.983 2.415 3.726 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.986 3.270 6.334 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.958 4.915 3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.164 3.525 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.895 5.173 5.319 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.773 6.714 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.452 6.154 5.491 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.491 5.638 6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.349 3.582 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.728 4.599 7.569 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.002 2.925 7.029 1.00 0.00 H new ATOM 934 N SER A 62 -15.333 3.855 1.667 1.00 0.00 N ATOM 935 CA SER A 62 -13.890 3.878 1.559 1.00 0.00 C ATOM 936 C SER A 62 -13.419 5.214 0.999 1.00 0.00 C ATOM 937 O SER A 62 -13.976 5.724 0.024 1.00 0.00 O ATOM 938 CB SER A 62 -13.433 2.720 0.677 1.00 0.00 C ATOM 939 OG SER A 62 -14.082 1.523 1.075 1.00 0.00 O ATOM 0 HA SER A 62 -13.449 3.762 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.659 2.936 -0.367 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.352 2.600 0.751 1.00 0.00 H new ATOM 0 HG SER A 62 -13.670 0.760 0.618 1.00 0.00 H new ATOM 945 N LEU A 63 -12.406 5.784 1.637 1.00 0.00 N ATOM 946 CA LEU A 63 -11.920 7.109 1.282 1.00 0.00 C ATOM 947 C LEU A 63 -10.829 7.025 0.221 1.00 0.00 C ATOM 948 O LEU A 63 -10.149 8.006 -0.072 1.00 0.00 O ATOM 949 CB LEU A 63 -11.417 7.834 2.530 1.00 0.00 C ATOM 950 CG LEU A 63 -12.451 7.973 3.654 1.00 0.00 C ATOM 951 CD1 LEU A 63 -11.868 8.724 4.836 1.00 0.00 C ATOM 952 CD2 LEU A 63 -13.704 8.675 3.152 1.00 0.00 C ATOM 0 H LEU A 63 -11.902 5.346 2.408 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.746 7.680 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.549 7.301 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.077 8.829 2.243 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.723 6.970 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.621 8.810 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.004 8.183 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.560 9.720 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.423 8.762 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.443 9.669 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.144 8.097 2.340 1.00 0.00 H new ATOM 964 N GLY A 64 -10.664 5.839 -0.347 1.00 0.00 N ATOM 965 CA GLY A 64 -9.804 5.681 -1.500 1.00 0.00 C ATOM 966 C GLY A 64 -8.361 5.380 -1.155 1.00 0.00 C ATOM 967 O GLY A 64 -7.495 5.459 -2.020 1.00 0.00 O ATOM 0 H GLY A 64 -11.113 4.981 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.193 4.876 -2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.842 6.593 -2.096 1.00 0.00 H new ATOM 971 N TYR A 65 -8.088 5.034 0.091 1.00 0.00 N ATOM 972 CA TYR A 65 -6.729 4.670 0.476 1.00 0.00 C ATOM 973 C TYR A 65 -6.726 3.719 1.666 1.00 0.00 C ATOM 974 O TYR A 65 -7.744 3.552 2.342 1.00 0.00 O ATOM 975 CB TYR A 65 -5.884 5.920 0.771 1.00 0.00 C ATOM 976 CG TYR A 65 -6.214 6.635 2.053 1.00 0.00 C ATOM 977 CD1 TYR A 65 -5.341 6.578 3.126 1.00 0.00 C ATOM 978 CD2 TYR A 65 -7.378 7.374 2.187 1.00 0.00 C ATOM 979 CE1 TYR A 65 -5.616 7.240 4.300 1.00 0.00 C ATOM 980 CE2 TYR A 65 -7.665 8.039 3.359 1.00 0.00 C ATOM 981 CZ TYR A 65 -6.781 7.969 4.416 1.00 0.00 C ATOM 982 OH TYR A 65 -7.057 8.635 5.590 1.00 0.00 O ATOM 0 H TYR A 65 -8.774 4.996 0.845 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.277 4.149 -0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.834 5.630 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.001 6.620 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.430 6.005 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.071 7.430 1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.923 7.189 5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.576 8.612 3.450 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.915 9.101 5.508 1.00 0.00 H new ATOM 992 N GLY A 66 -5.588 3.078 1.890 1.00 0.00 N ATOM 993 CA GLY A 66 -5.444 2.148 2.989 1.00 0.00 C ATOM 994 C GLY A 66 -3.990 1.891 3.327 1.00 0.00 C ATOM 995 O GLY A 66 -3.097 2.517 2.752 1.00 0.00 O ATOM 0 H GLY A 66 -4.750 3.189 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -5.956 2.542 3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.929 1.206 2.733 1.00 0.00 H new ATOM 999 N PHE A 67 -3.751 0.967 4.249 1.00 0.00 N ATOM 1000 CA PHE A 67 -2.404 0.675 4.728 1.00 0.00 C ATOM 1001 C PHE A 67 -2.226 -0.827 4.917 1.00 0.00 C ATOM 1002 O PHE A 67 -2.810 -1.409 5.828 1.00 0.00 O ATOM 1003 CB PHE A 67 -2.138 1.370 6.071 1.00 0.00 C ATOM 1004 CG PHE A 67 -2.231 2.872 6.042 1.00 0.00 C ATOM 1005 CD1 PHE A 67 -3.443 3.511 6.251 1.00 0.00 C ATOM 1006 CD2 PHE A 67 -1.102 3.642 5.820 1.00 0.00 C ATOM 1007 CE1 PHE A 67 -3.527 4.890 6.236 1.00 0.00 C ATOM 1008 CE2 PHE A 67 -1.180 5.022 5.802 1.00 0.00 C ATOM 1009 CZ PHE A 67 -2.394 5.646 6.011 1.00 0.00 C ATOM 0 H PHE A 67 -4.480 0.401 4.684 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.700 1.045 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.849 0.992 6.805 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.143 1.090 6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.332 2.924 6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.150 3.159 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.478 5.376 6.400 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.293 5.611 5.625 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.457 6.724 5.998 1.00 0.00 H new ATOM 1019 N VAL A 68 -1.434 -1.456 4.066 1.00 0.00 N ATOM 1020 CA VAL A 68 -1.135 -2.864 4.220 1.00 0.00 C ATOM 1021 C VAL A 68 0.334 -3.077 4.566 1.00 0.00 C ATOM 1022 O VAL A 68 1.233 -2.801 3.779 1.00 0.00 O ATOM 1023 CB VAL A 68 -1.568 -3.695 2.982 1.00 0.00 C ATOM 1024 CG1 VAL A 68 -1.793 -2.805 1.785 1.00 0.00 C ATOM 1025 CG2 VAL A 68 -0.584 -4.814 2.641 1.00 0.00 C ATOM 0 H VAL A 68 -0.988 -1.012 3.263 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.727 -3.232 5.058 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.510 -4.174 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.095 -3.412 0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.576 -2.082 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.870 -2.277 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.941 -5.359 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.395 -4.385 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.503 -5.497 3.486 1.00 0.00 H new ATOM 1035 N ASN A 69 0.554 -3.512 5.789 1.00 0.00 N ATOM 1036 CA ASN A 69 1.873 -3.864 6.265 1.00 0.00 C ATOM 1037 C ASN A 69 2.216 -5.262 5.798 1.00 0.00 C ATOM 1038 O ASN A 69 1.394 -6.169 5.902 1.00 0.00 O ATOM 1039 CB ASN A 69 1.911 -3.820 7.791 1.00 0.00 C ATOM 1040 CG ASN A 69 3.324 -3.848 8.339 1.00 0.00 C ATOM 1041 OD1 ASN A 69 4.248 -3.316 7.739 1.00 0.00 O ATOM 1042 ND2 ASN A 69 3.503 -4.485 9.476 1.00 0.00 N ATOM 0 H ASN A 69 -0.183 -3.632 6.484 1.00 0.00 H new ATOM 0 HA ASN A 69 2.596 -3.151 5.869 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.409 -2.917 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.354 -4.668 8.189 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.436 -4.547 9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.709 -4.917 9.949 1.00 0.00 H new ATOM 1049 N TYR A 70 3.402 -5.433 5.261 1.00 0.00 N ATOM 1050 CA TYR A 70 3.871 -6.744 4.879 1.00 0.00 C ATOM 1051 C TYR A 70 4.740 -7.335 5.971 1.00 0.00 C ATOM 1052 O TYR A 70 5.171 -6.640 6.889 1.00 0.00 O ATOM 1053 CB TYR A 70 4.672 -6.667 3.582 1.00 0.00 C ATOM 1054 CG TYR A 70 3.854 -6.759 2.321 1.00 0.00 C ATOM 1055 CD1 TYR A 70 3.337 -7.978 1.911 1.00 0.00 C ATOM 1056 CD2 TYR A 70 3.623 -5.644 1.529 1.00 0.00 C ATOM 1057 CE1 TYR A 70 2.610 -8.086 0.748 1.00 0.00 C ATOM 1058 CE2 TYR A 70 2.890 -5.746 0.365 1.00 0.00 C ATOM 1059 CZ TYR A 70 2.389 -6.968 -0.019 1.00 0.00 C ATOM 1060 OH TYR A 70 1.668 -7.076 -1.182 1.00 0.00 O ATOM 0 H TYR A 70 4.062 -4.677 5.078 1.00 0.00 H new ATOM 0 HA TYR A 70 3.001 -7.383 4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 70 5.226 -5.728 3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.408 -7.471 3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 70 3.508 -8.857 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.021 -4.685 1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.216 -9.043 0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.710 -4.871 -0.242 1.00 0.00 H new ATOM 0 HH TYR A 70 1.102 -7.875 -1.143 1.00 0.00 H new ATOM 1070 N VAL A 71 4.977 -8.632 5.873 1.00 0.00 N ATOM 1071 CA VAL A 71 5.886 -9.308 6.779 1.00 0.00 C ATOM 1072 C VAL A 71 7.314 -9.145 6.272 1.00 0.00 C ATOM 1073 O VAL A 71 8.287 -9.433 6.973 1.00 0.00 O ATOM 1074 CB VAL A 71 5.547 -10.807 6.904 1.00 0.00 C ATOM 1075 CG1 VAL A 71 4.113 -10.979 7.385 1.00 0.00 C ATOM 1076 CG2 VAL A 71 5.764 -11.526 5.580 1.00 0.00 C ATOM 0 H VAL A 71 4.550 -9.238 5.172 1.00 0.00 H new ATOM 0 HA VAL A 71 5.784 -8.858 7.767 1.00 0.00 H new ATOM 0 HB VAL A 71 6.217 -11.254 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.883 -12.041 7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.996 -10.503 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.432 -10.516 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.518 -12.582 5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.123 -11.085 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.807 -11.427 5.279 1.00 0.00 H new ATOM 1086 N THR A 72 7.410 -8.677 5.038 1.00 0.00 N ATOM 1087 CA THR A 72 8.675 -8.462 4.363 1.00 0.00 C ATOM 1088 C THR A 72 8.718 -7.080 3.738 1.00 0.00 C ATOM 1089 O THR A 72 7.699 -6.562 3.283 1.00 0.00 O ATOM 1090 CB THR A 72 8.860 -9.476 3.229 1.00 0.00 C ATOM 1091 OG1 THR A 72 7.591 -9.734 2.619 1.00 0.00 O ATOM 1092 CG2 THR A 72 9.479 -10.770 3.711 1.00 0.00 C ATOM 0 H THR A 72 6.598 -8.433 4.471 1.00 0.00 H new ATOM 0 HA THR A 72 9.462 -8.572 5.109 1.00 0.00 H new ATOM 0 HB THR A 72 9.548 -9.046 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.703 -10.382 1.892 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.589 -11.456 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.458 -10.566 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.836 -11.222 4.466 1.00 0.00 H new ATOM 1100 N ALA A 73 9.894 -6.487 3.704 1.00 0.00 N ATOM 1101 CA ALA A 73 10.094 -5.273 2.933 1.00 0.00 C ATOM 1102 C ALA A 73 10.369 -5.671 1.492 1.00 0.00 C ATOM 1103 O ALA A 73 10.293 -4.860 0.567 1.00 0.00 O ATOM 1104 CB ALA A 73 11.232 -4.442 3.504 1.00 0.00 C ATOM 0 H ALA A 73 10.722 -6.822 4.197 1.00 0.00 H new ATOM 0 HA ALA A 73 9.200 -4.651 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.359 -3.539 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.001 -4.167 4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.154 -5.024 3.483 1.00 0.00 H new ATOM 1110 N LYS A 74 10.675 -6.953 1.332 1.00 0.00 N ATOM 1111 CA LYS A 74 10.870 -7.576 0.036 1.00 0.00 C ATOM 1112 C LYS A 74 9.570 -7.591 -0.766 1.00 0.00 C ATOM 1113 O LYS A 74 9.531 -7.143 -1.914 1.00 0.00 O ATOM 1114 CB LYS A 74 11.406 -8.990 0.258 1.00 0.00 C ATOM 1115 CG LYS A 74 11.316 -9.881 -0.952 1.00 0.00 C ATOM 1116 CD LYS A 74 10.337 -11.006 -0.708 1.00 0.00 C ATOM 1117 CE LYS A 74 9.860 -11.587 -2.016 1.00 0.00 C ATOM 1118 NZ LYS A 74 8.810 -12.618 -1.813 1.00 0.00 N1+ ATOM 0 H LYS A 74 10.796 -7.596 2.114 1.00 0.00 H new ATOM 0 HA LYS A 74 11.590 -7.002 -0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.448 -8.926 0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.854 -9.451 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.001 -9.298 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.299 -10.290 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.811 -11.784 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.486 -10.637 -0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.468 -10.789 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.704 -12.028 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.976 -13.415 -2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.843 -12.958 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.875 -12.204 -2.005 1.00 0.00 H new ATOM 1132 N ASP A 75 8.504 -8.088 -0.154 1.00 0.00 N ATOM 1133 CA ASP A 75 7.201 -8.139 -0.814 1.00 0.00 C ATOM 1134 C ASP A 75 6.545 -6.764 -0.809 1.00 0.00 C ATOM 1135 O ASP A 75 5.612 -6.515 -1.565 1.00 0.00 O ATOM 1136 CB ASP A 75 6.292 -9.177 -0.151 1.00 0.00 C ATOM 1137 CG ASP A 75 6.757 -10.600 -0.409 1.00 0.00 C ATOM 1138 OD1 ASP A 75 6.583 -11.096 -1.541 1.00 0.00 O ATOM 1139 OD2 ASP A 75 7.314 -11.232 0.517 1.00 0.00 O1- ATOM 0 H ASP A 75 8.512 -8.461 0.795 1.00 0.00 H new ATOM 0 HA ASP A 75 7.356 -8.441 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.262 -8.996 0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.275 -9.056 -0.523 1.00 0.00 H new ATOM 1144 N ALA A 76 7.039 -5.871 0.040 1.00 0.00 N ATOM 1145 CA ALA A 76 6.593 -4.481 0.024 1.00 0.00 C ATOM 1146 C ALA A 76 6.965 -3.839 -1.304 1.00 0.00 C ATOM 1147 O ALA A 76 6.108 -3.329 -2.021 1.00 0.00 O ATOM 1148 CB ALA A 76 7.207 -3.703 1.181 1.00 0.00 C ATOM 0 H ALA A 76 7.745 -6.082 0.745 1.00 0.00 H new ATOM 0 HA ALA A 76 5.509 -4.459 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.861 -2.670 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.907 -4.157 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.294 -3.724 1.098 1.00 0.00 H new ATOM 1154 N GLU A 77 8.250 -3.893 -1.637 1.00 0.00 N ATOM 1155 CA GLU A 77 8.729 -3.423 -2.927 1.00 0.00 C ATOM 1156 C GLU A 77 8.059 -4.206 -4.044 1.00 0.00 C ATOM 1157 O GLU A 77 7.754 -3.659 -5.103 1.00 0.00 O ATOM 1158 CB GLU A 77 10.247 -3.587 -3.012 1.00 0.00 C ATOM 1159 CG GLU A 77 10.807 -3.323 -4.397 1.00 0.00 C ATOM 1160 CD GLU A 77 12.297 -3.565 -4.476 1.00 0.00 C ATOM 1161 OE1 GLU A 77 13.066 -2.766 -3.904 1.00 0.00 O ATOM 1162 OE2 GLU A 77 12.707 -4.555 -5.116 1.00 0.00 O1- ATOM 0 H GLU A 77 8.980 -4.260 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 77 8.481 -2.367 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.718 -2.907 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.513 -4.599 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.300 -3.963 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.594 -2.292 -4.681 1.00 0.00 H new ATOM 1169 N ARG A 78 7.799 -5.483 -3.784 1.00 0.00 N ATOM 1170 CA ARG A 78 7.177 -6.345 -4.762 1.00 0.00 C ATOM 1171 C ARG A 78 5.773 -5.845 -5.051 1.00 0.00 C ATOM 1172 O ARG A 78 5.334 -5.818 -6.192 1.00 0.00 O ATOM 1173 CB ARG A 78 7.140 -7.777 -4.249 1.00 0.00 C ATOM 1174 CG ARG A 78 6.755 -8.806 -5.289 1.00 0.00 C ATOM 1175 CD ARG A 78 6.943 -10.216 -4.759 1.00 0.00 C ATOM 1176 NE ARG A 78 6.469 -11.229 -5.700 1.00 0.00 N ATOM 1177 CZ ARG A 78 7.237 -12.185 -6.223 1.00 0.00 C ATOM 1178 NH1 ARG A 78 8.547 -12.197 -5.995 1.00 0.00 N1+ ATOM 1179 NH2 ARG A 78 6.699 -13.113 -7.004 1.00 0.00 N ATOM 0 H ARG A 78 8.014 -5.939 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 78 7.758 -6.328 -5.684 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.122 -8.032 -3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.434 -7.835 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.715 -8.660 -5.582 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.361 -8.667 -6.184 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.999 -10.385 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.408 -10.321 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 78 5.487 -11.203 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.971 -11.472 -5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.128 -12.932 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.699 -13.094 -7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.286 -13.845 -7.405 1.00 0.00 H new ATOM 1193 N ALA A 79 5.075 -5.418 -4.011 1.00 0.00 N ATOM 1194 CA ALA A 79 3.746 -4.870 -4.182 1.00 0.00 C ATOM 1195 C ALA A 79 3.807 -3.540 -4.912 1.00 0.00 C ATOM 1196 O ALA A 79 2.914 -3.206 -5.680 1.00 0.00 O ATOM 1197 CB ALA A 79 3.028 -4.726 -2.846 1.00 0.00 C ATOM 0 H ALA A 79 5.407 -5.441 -3.047 1.00 0.00 H new ATOM 0 HA ALA A 79 3.171 -5.569 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.033 -4.312 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.940 -5.704 -2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.596 -4.059 -2.198 1.00 0.00 H new ATOM 1203 N ILE A 80 4.865 -2.779 -4.685 1.00 0.00 N ATOM 1204 CA ILE A 80 5.022 -1.504 -5.366 1.00 0.00 C ATOM 1205 C ILE A 80 5.353 -1.677 -6.842 1.00 0.00 C ATOM 1206 O ILE A 80 4.855 -0.940 -7.685 1.00 0.00 O ATOM 1207 CB ILE A 80 6.096 -0.642 -4.711 1.00 0.00 C ATOM 1208 CG1 ILE A 80 5.847 -0.536 -3.215 1.00 0.00 C ATOM 1209 CG2 ILE A 80 6.101 0.740 -5.332 1.00 0.00 C ATOM 1210 CD1 ILE A 80 6.925 0.208 -2.480 1.00 0.00 C ATOM 0 H ILE A 80 5.620 -3.018 -4.042 1.00 0.00 H new ATOM 0 HA ILE A 80 4.059 -1.001 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 80 7.067 -1.110 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.893 -0.036 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.759 -1.539 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.871 1.349 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.308 0.659 -6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.127 1.208 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.682 0.245 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.878 -0.303 -2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.998 1.223 -2.871 1.00 0.00 H new ATOM 1222 N ASN A 81 6.181 -2.641 -7.172 1.00 0.00 N ATOM 1223 CA ASN A 81 6.556 -2.814 -8.561 1.00 0.00 C ATOM 1224 C ASN A 81 5.523 -3.643 -9.296 1.00 0.00 C ATOM 1225 O ASN A 81 5.363 -3.534 -10.511 1.00 0.00 O ATOM 1226 CB ASN A 81 7.955 -3.421 -8.697 1.00 0.00 C ATOM 1227 CG ASN A 81 8.163 -4.738 -7.965 1.00 0.00 C ATOM 1228 OD1 ASN A 81 7.319 -5.632 -7.986 1.00 0.00 O ATOM 1229 ND2 ASN A 81 9.310 -4.863 -7.310 1.00 0.00 N ATOM 0 H ASN A 81 6.600 -3.303 -6.519 1.00 0.00 H new ATOM 0 HA ASN A 81 6.588 -1.827 -9.022 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.166 -3.575 -9.755 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.684 -2.700 -8.328 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.516 -5.723 -6.801 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.986 -4.099 -7.315 1.00 0.00 H new ATOM 1236 N THR A 82 4.830 -4.474 -8.552 1.00 0.00 N ATOM 1237 CA THR A 82 3.809 -5.324 -9.112 1.00 0.00 C ATOM 1238 C THR A 82 2.414 -4.681 -9.047 1.00 0.00 C ATOM 1239 O THR A 82 1.818 -4.357 -10.074 1.00 0.00 O ATOM 1240 CB THR A 82 3.808 -6.686 -8.399 1.00 0.00 C ATOM 1241 OG1 THR A 82 5.015 -7.397 -8.711 1.00 0.00 O ATOM 1242 CG2 THR A 82 2.587 -7.526 -8.762 1.00 0.00 C ATOM 0 H THR A 82 4.959 -4.578 -7.546 1.00 0.00 H new ATOM 0 HA THR A 82 4.045 -5.468 -10.167 1.00 0.00 H new ATOM 0 HB THR A 82 3.760 -6.499 -7.326 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.790 -6.835 -8.500 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.631 -8.479 -8.234 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.680 -6.993 -8.475 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.576 -7.707 -9.837 1.00 0.00 H new ATOM 1250 N LEU A 83 1.920 -4.473 -7.832 1.00 0.00 N ATOM 1251 CA LEU A 83 0.529 -4.100 -7.605 1.00 0.00 C ATOM 1252 C LEU A 83 0.272 -2.615 -7.761 1.00 0.00 C ATOM 1253 O LEU A 83 -0.843 -2.212 -8.047 1.00 0.00 O ATOM 1254 CB LEU A 83 0.113 -4.486 -6.207 1.00 0.00 C ATOM 1255 CG LEU A 83 0.099 -5.981 -5.896 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -0.404 -6.205 -4.483 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -0.759 -6.745 -6.889 1.00 0.00 C ATOM 0 H LEU A 83 2.471 -4.558 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.048 -4.631 -8.362 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.785 -3.996 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.886 -4.089 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 83 1.118 -6.358 -5.981 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.413 -7.273 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.253 -5.696 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.415 -5.807 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.747 -7.806 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.783 -6.373 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.363 -6.605 -7.895 1.00 0.00 H new ATOM 1269 N ASN A 84 1.258 -1.797 -7.481 1.00 0.00 N ATOM 1270 CA ASN A 84 1.112 -0.370 -7.709 1.00 0.00 C ATOM 1271 C ASN A 84 0.784 -0.123 -9.179 1.00 0.00 C ATOM 1272 O ASN A 84 1.623 -0.303 -10.063 1.00 0.00 O ATOM 1273 CB ASN A 84 2.379 0.354 -7.248 1.00 0.00 C ATOM 1274 CG ASN A 84 2.413 1.830 -7.584 1.00 0.00 C ATOM 1275 OD1 ASN A 84 1.380 2.468 -7.760 1.00 0.00 O ATOM 1276 ND2 ASN A 84 3.615 2.381 -7.647 1.00 0.00 N ATOM 0 H ASN A 84 2.160 -2.084 -7.100 1.00 0.00 H new ATOM 0 HA ASN A 84 0.285 0.033 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 84 2.477 0.237 -6.169 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.244 -0.129 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.710 3.376 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.446 1.810 -7.493 1.00 0.00 H new ATOM 1283 N GLY A 85 -0.463 0.264 -9.421 1.00 0.00 N ATOM 1284 CA GLY A 85 -0.996 0.347 -10.766 1.00 0.00 C ATOM 1285 C GLY A 85 -1.835 -0.871 -11.134 1.00 0.00 C ATOM 1286 O GLY A 85 -2.071 -1.132 -12.315 1.00 0.00 O ATOM 0 H GLY A 85 -1.126 0.527 -8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.606 1.246 -10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.174 0.446 -11.474 1.00 0.00 H new ATOM 1290 N LEU A 86 -2.279 -1.629 -10.131 1.00 0.00 N ATOM 1291 CA LEU A 86 -3.129 -2.799 -10.361 1.00 0.00 C ATOM 1292 C LEU A 86 -4.581 -2.360 -10.485 1.00 0.00 C ATOM 1293 O LEU A 86 -5.023 -1.450 -9.782 1.00 0.00 O ATOM 1294 CB LEU A 86 -2.979 -3.794 -9.195 1.00 0.00 C ATOM 1295 CG LEU A 86 -3.071 -5.291 -9.536 1.00 0.00 C ATOM 1296 CD1 LEU A 86 -4.445 -5.667 -10.061 1.00 0.00 C ATOM 1297 CD2 LEU A 86 -1.991 -5.681 -10.536 1.00 0.00 C ATOM 0 H LEU A 86 -2.064 -1.454 -9.149 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.822 -3.289 -11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.015 -3.614 -8.718 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.747 -3.567 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.910 -5.847 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.468 -6.732 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.197 -5.442 -9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.657 -5.097 -10.965 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.073 -6.744 -10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.117 -5.103 -11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.009 -5.476 -10.109 1.00 0.00 H new ATOM 1309 N ARG A 87 -5.313 -2.995 -11.388 1.00 0.00 N ATOM 1310 CA ARG A 87 -6.726 -2.704 -11.562 1.00 0.00 C ATOM 1311 C ARG A 87 -7.568 -3.452 -10.536 1.00 0.00 C ATOM 1312 O ARG A 87 -8.039 -4.560 -10.789 1.00 0.00 O ATOM 1313 CB ARG A 87 -7.174 -3.075 -12.975 1.00 0.00 C ATOM 1314 CG ARG A 87 -6.582 -2.181 -14.044 1.00 0.00 C ATOM 1315 CD ARG A 87 -7.154 -0.777 -13.972 1.00 0.00 C ATOM 1316 NE ARG A 87 -6.536 0.112 -14.950 1.00 0.00 N ATOM 1317 CZ ARG A 87 -7.051 1.280 -15.325 1.00 0.00 C ATOM 1318 NH1 ARG A 87 -8.211 1.696 -14.823 1.00 0.00 N1+ ATOM 1319 NH2 ARG A 87 -6.407 2.032 -16.205 1.00 0.00 N ATOM 0 H ARG A 87 -4.950 -3.716 -12.012 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.871 -1.634 -11.411 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.893 -4.108 -13.178 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.261 -3.024 -13.029 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.499 -2.141 -13.928 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.781 -2.607 -15.028 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.230 -0.814 -14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.004 -0.375 -12.970 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.655 -0.180 -15.372 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.710 1.118 -14.147 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.601 2.592 -15.114 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.519 1.715 -16.593 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.800 2.928 -16.494 1.00 0.00 H new ATOM 1333 N LEU A 88 -7.764 -2.835 -9.389 1.00 0.00 N ATOM 1334 CA LEU A 88 -8.630 -3.376 -8.363 1.00 0.00 C ATOM 1335 C LEU A 88 -10.050 -2.921 -8.609 1.00 0.00 C ATOM 1336 O LEU A 88 -10.356 -1.742 -8.462 1.00 0.00 O ATOM 1337 CB LEU A 88 -8.174 -2.928 -6.982 1.00 0.00 C ATOM 1338 CG LEU A 88 -7.390 -3.975 -6.203 1.00 0.00 C ATOM 1339 CD1 LEU A 88 -6.836 -3.378 -4.927 1.00 0.00 C ATOM 1340 CD2 LEU A 88 -8.287 -5.158 -5.887 1.00 0.00 C ATOM 0 H LEU A 88 -7.328 -1.946 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.583 -4.464 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.557 -2.036 -7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -9.050 -2.641 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.554 -4.317 -6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.278 -4.139 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.173 -2.548 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.657 -3.017 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.722 -5.905 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -9.134 -4.823 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.651 -5.597 -6.816 1.00 0.00 H new ATOM 1352 N GLN A 89 -10.908 -3.847 -9.016 1.00 0.00 N ATOM 1353 CA GLN A 89 -12.296 -3.527 -9.332 1.00 0.00 C ATOM 1354 C GLN A 89 -12.355 -2.420 -10.379 1.00 0.00 C ATOM 1355 O GLN A 89 -13.201 -1.523 -10.310 1.00 0.00 O ATOM 1356 CB GLN A 89 -13.033 -3.097 -8.077 1.00 0.00 C ATOM 1357 CG GLN A 89 -13.119 -4.180 -7.011 1.00 0.00 C ATOM 1358 CD GLN A 89 -13.861 -3.722 -5.769 1.00 0.00 C ATOM 1359 OE1 GLN A 89 -13.760 -2.440 -5.464 1.00 0.00 O flip ATOM 1360 NE2 GLN A 89 -14.508 -4.513 -5.084 1.00 0.00 N flip ATOM 0 H GLN A 89 -10.667 -4.831 -9.136 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.778 -4.418 -9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.534 -2.225 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -14.042 -2.787 -8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.620 -5.054 -7.427 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.112 -4.492 -6.733 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.562 -5.495 -5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.991 -4.186 -4.247 1.00 0.00 H new ATOM 1369 N SER A 90 -11.392 -2.483 -11.300 1.00 0.00 N ATOM 1370 CA SER A 90 -11.268 -1.563 -12.437 1.00 0.00 C ATOM 1371 C SER A 90 -10.538 -0.282 -12.039 1.00 0.00 C ATOM 1372 O SER A 90 -10.126 0.509 -12.890 1.00 0.00 O ATOM 1373 CB SER A 90 -12.640 -1.235 -13.026 1.00 0.00 C ATOM 1374 OG SER A 90 -12.538 -0.741 -14.353 1.00 0.00 O ATOM 0 H SER A 90 -10.658 -3.191 -11.277 1.00 0.00 H new ATOM 0 HA SER A 90 -10.675 -2.065 -13.202 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.263 -2.130 -13.018 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.137 -0.495 -12.399 1.00 0.00 H new ATOM 0 HG SER A 90 -11.753 -0.158 -14.426 1.00 0.00 H new ATOM 1380 N LYS A 91 -10.350 -0.110 -10.747 1.00 0.00 N ATOM 1381 CA LYS A 91 -9.699 1.080 -10.204 1.00 0.00 C ATOM 1382 C LYS A 91 -8.198 0.848 -10.070 1.00 0.00 C ATOM 1383 O LYS A 91 -7.769 -0.196 -9.592 1.00 0.00 O ATOM 1384 CB LYS A 91 -10.290 1.412 -8.833 1.00 0.00 C ATOM 1385 CG LYS A 91 -10.742 2.844 -8.672 1.00 0.00 C ATOM 1386 CD LYS A 91 -9.567 3.792 -8.753 1.00 0.00 C ATOM 1387 CE LYS A 91 -9.709 4.912 -7.749 1.00 0.00 C ATOM 1388 NZ LYS A 91 -9.001 6.141 -8.186 1.00 0.00 N1+ ATOM 0 H LYS A 91 -10.641 -0.785 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.869 1.914 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.139 0.754 -8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.545 1.192 -8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.467 3.090 -9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.247 2.965 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.641 3.247 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.497 4.206 -9.759 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.766 5.135 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.314 4.588 -6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.123 6.885 -7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.988 5.935 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.395 6.465 -9.092 1.00 0.00 H new ATOM 1402 N THR A 92 -7.399 1.818 -10.490 1.00 0.00 N ATOM 1403 CA THR A 92 -5.951 1.678 -10.424 1.00 0.00 C ATOM 1404 C THR A 92 -5.403 2.270 -9.135 1.00 0.00 C ATOM 1405 O THR A 92 -5.572 3.460 -8.865 1.00 0.00 O ATOM 1406 CB THR A 92 -5.252 2.349 -11.611 1.00 0.00 C ATOM 1407 OG1 THR A 92 -6.204 2.650 -12.642 1.00 0.00 O ATOM 1408 CG2 THR A 92 -4.159 1.447 -12.167 1.00 0.00 C ATOM 0 H THR A 92 -7.725 2.704 -10.877 1.00 0.00 H new ATOM 0 HA THR A 92 -5.745 0.608 -10.456 1.00 0.00 H new ATOM 0 HB THR A 92 -4.798 3.277 -11.262 1.00 0.00 H new ATOM 0 HG1 THR A 92 -5.746 3.080 -13.394 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.674 1.940 -13.009 1.00 0.00 H new ATOM 0 HG22 THR A 92 -3.422 1.247 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 92 -4.598 0.507 -12.501 1.00 0.00 H new ATOM 1416 N ILE A 93 -4.732 1.437 -8.363 1.00 0.00 N ATOM 1417 CA ILE A 93 -4.234 1.814 -7.054 1.00 0.00 C ATOM 1418 C ILE A 93 -2.771 2.232 -7.110 1.00 0.00 C ATOM 1419 O ILE A 93 -2.087 1.983 -8.100 1.00 0.00 O ATOM 1420 CB ILE A 93 -4.380 0.638 -6.087 1.00 0.00 C ATOM 1421 CG1 ILE A 93 -3.431 -0.492 -6.498 1.00 0.00 C ATOM 1422 CG2 ILE A 93 -5.822 0.164 -6.091 1.00 0.00 C ATOM 1423 CD1 ILE A 93 -3.607 -1.757 -5.701 1.00 0.00 C ATOM 0 H ILE A 93 -4.516 0.476 -8.627 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.822 2.664 -6.708 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.117 0.952 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.584 -0.715 -7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.403 -0.147 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.931 -0.674 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.474 0.979 -5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.098 -0.153 -7.097 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.900 -2.509 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.425 -1.551 -4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.624 -2.128 -5.828 1.00 0.00 H new ATOM 1435 N LYS A 94 -2.294 2.866 -6.050 1.00 0.00 N ATOM 1436 CA LYS A 94 -0.895 3.253 -5.971 1.00 0.00 C ATOM 1437 C LYS A 94 -0.336 2.905 -4.605 1.00 0.00 C ATOM 1438 O LYS A 94 -0.685 3.521 -3.598 1.00 0.00 O ATOM 1439 CB LYS A 94 -0.702 4.743 -6.255 1.00 0.00 C ATOM 1440 CG LYS A 94 0.760 5.143 -6.342 1.00 0.00 C ATOM 1441 CD LYS A 94 0.919 6.592 -6.775 1.00 0.00 C ATOM 1442 CE LYS A 94 0.364 6.824 -8.172 1.00 0.00 C ATOM 1443 NZ LYS A 94 0.519 8.235 -8.606 1.00 0.00 N1+ ATOM 0 H LYS A 94 -2.853 3.122 -5.236 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.353 2.698 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.199 4.997 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.186 5.323 -5.469 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.236 4.998 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.274 4.493 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.406 7.242 -6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.974 6.865 -6.752 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.875 6.170 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.691 6.553 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.128 8.349 -9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.010 8.859 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.528 8.487 -8.612 1.00 0.00 H new ATOM 1457 N VAL A 95 0.528 1.906 -4.579 1.00 0.00 N ATOM 1458 CA VAL A 95 1.087 1.417 -3.337 1.00 0.00 C ATOM 1459 C VAL A 95 2.501 1.960 -3.141 1.00 0.00 C ATOM 1460 O VAL A 95 3.228 2.199 -4.108 1.00 0.00 O ATOM 1461 CB VAL A 95 1.075 -0.125 -3.284 1.00 0.00 C ATOM 1462 CG1 VAL A 95 0.174 -0.697 -4.359 1.00 0.00 C ATOM 1463 CG2 VAL A 95 2.466 -0.693 -3.383 1.00 0.00 C ATOM 0 H VAL A 95 0.858 1.417 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 95 0.462 1.777 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 95 0.672 -0.418 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.183 -1.785 -4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.843 -0.334 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.533 -0.384 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.418 -1.781 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.919 -0.385 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.069 -0.325 -2.553 1.00 0.00 H new ATOM 1473 N SER A 96 2.866 2.171 -1.891 1.00 0.00 N ATOM 1474 CA SER A 96 4.155 2.733 -1.525 1.00 0.00 C ATOM 1475 C SER A 96 4.412 2.501 -0.045 1.00 0.00 C ATOM 1476 O SER A 96 3.504 2.127 0.677 1.00 0.00 O ATOM 1477 CB SER A 96 4.162 4.229 -1.807 1.00 0.00 C ATOM 1478 OG SER A 96 4.171 4.495 -3.200 1.00 0.00 O ATOM 0 H SER A 96 2.271 1.955 -1.091 1.00 0.00 H new ATOM 0 HA SER A 96 4.935 2.248 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.285 4.690 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.037 4.684 -1.343 1.00 0.00 H new ATOM 0 HG SER A 96 4.121 3.650 -3.695 1.00 0.00 H new ATOM 1484 N TYR A 97 5.638 2.712 0.405 1.00 0.00 N ATOM 1485 CA TYR A 97 5.939 2.610 1.831 1.00 0.00 C ATOM 1486 C TYR A 97 5.227 3.722 2.573 1.00 0.00 C ATOM 1487 O TYR A 97 5.477 4.899 2.313 1.00 0.00 O ATOM 1488 CB TYR A 97 7.436 2.741 2.112 1.00 0.00 C ATOM 1489 CG TYR A 97 8.338 2.170 1.050 1.00 0.00 C ATOM 1490 CD1 TYR A 97 9.154 3.010 0.311 1.00 0.00 C ATOM 1491 CD2 TYR A 97 8.385 0.807 0.793 1.00 0.00 C ATOM 1492 CE1 TYR A 97 9.998 2.517 -0.654 1.00 0.00 C ATOM 1493 CE2 TYR A 97 9.225 0.297 -0.178 1.00 0.00 C ATOM 1494 CZ TYR A 97 10.035 1.159 -0.902 1.00 0.00 C ATOM 1495 OH TYR A 97 10.887 0.664 -1.863 1.00 0.00 O ATOM 0 H TYR A 97 6.435 2.952 -0.185 1.00 0.00 H new ATOM 0 HA TYR A 97 5.604 1.628 2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.675 3.797 2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.657 2.247 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.126 4.073 0.497 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.756 0.136 1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 97 10.630 3.188 -1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.251 -0.765 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 97 10.793 -0.310 -1.914 1.00 0.00 H new ATOM 1505 N ALA A 98 4.337 3.359 3.475 1.00 0.00 N ATOM 1506 CA ALA A 98 3.703 4.343 4.322 1.00 0.00 C ATOM 1507 C ALA A 98 4.706 4.778 5.377 1.00 0.00 C ATOM 1508 O ALA A 98 5.376 3.927 5.961 1.00 0.00 O ATOM 1509 CB ALA A 98 2.444 3.775 4.963 1.00 0.00 C ATOM 0 H ALA A 98 4.040 2.397 3.638 1.00 0.00 H new ATOM 0 HA ALA A 98 3.398 5.205 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.984 4.534 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.742 3.478 4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.704 2.906 5.568 1.00 0.00 H new