USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 834 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 79 THR OG1 : rot 65:sc= -0.251! USER MOD Set 1.2: A 80 HIS : no HD1:sc= -5.08! C(o=-5.6!,f=-20!) USER MOD Set 1.3: A 102 HIS :FLIP no HD1:sc= 0 F(o=-7.2,f=-5.6) USER MOD Set 1.4: A 118 MET CE :methyl 141:sc= -0.297 (180deg=-1.16) USER MOD Set 2.1: A 73 GLN : amide:sc= 0 X(o=-7.8,f=-7.8) USER MOD Set 2.2: A 75 ASN : amide:sc= -7.83! C(o=-7.8!,f=-11!) USER MOD Set 3.1: A 47 TYR OH : rot -139:sc= -4.47! USER MOD Set 3.2: A 49 CYS SG : rot 180:sc= -0.403 USER MOD Set 4.1: A 22 THR OG1 : rot -110:sc= -0.809 USER MOD Set 4.2: A 25 ASN : amide:sc= -1.37 K(o=-2.2,f=-3.7!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 44 CYS SG : rot 71:sc= 1.22 USER MOD Single : A 52 SER OG : rot 38:sc= 0.00557 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -107:sc= -0.154 (180deg=-2.36!) USER MOD Single : A 64 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.253 K(o=-0.25,f=-1.9!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.39) USER MOD Single : A 95 ASN : amide:sc= -0.0192 X(o=-0.019,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 138:sc= -2.89! USER MOD Single : A 99 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-2.7!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 100:sc= -1.06! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot -175:sc= 1.19 USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 0.628 8.108 7.163 1.00 0.00 N ATOM 259 CA PRO A 21 0.710 7.163 6.062 1.00 0.00 C ATOM 260 C PRO A 21 -0.150 5.927 6.335 1.00 0.00 C ATOM 261 O PRO A 21 0.369 4.818 6.454 1.00 0.00 O ATOM 262 CB PRO A 21 2.189 6.839 5.931 1.00 0.00 C ATOM 263 CG PRO A 21 2.825 7.249 7.249 1.00 0.00 C ATOM 264 CD PRO A 21 1.825 8.115 7.999 1.00 0.00 C ATOM 0 HA PRO A 21 0.320 7.570 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.340 5.777 5.738 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.635 7.381 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.085 6.369 7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.749 7.799 7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.618 7.712 8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.204 9.127 8.139 1.00 0.00 H new ATOM 272 N THR A 22 -1.451 6.160 6.428 1.00 0.00 N ATOM 273 CA THR A 22 -2.389 5.080 6.685 1.00 0.00 C ATOM 274 C THR A 22 -3.313 4.878 5.482 1.00 0.00 C ATOM 275 O THR A 22 -3.418 5.752 4.622 1.00 0.00 O ATOM 276 CB THR A 22 -3.138 5.403 7.979 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.508 6.771 7.834 1.00 0.00 O ATOM 278 CG2 THR A 22 -2.222 5.392 9.204 1.00 0.00 C ATOM 0 H THR A 22 -1.878 7.081 6.330 1.00 0.00 H new ATOM 0 HA THR A 22 -1.871 4.130 6.820 1.00 0.00 H new ATOM 0 HB THR A 22 -3.943 4.682 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.987 7.319 8.457 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.804 5.627 10.095 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.773 4.405 9.314 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.436 6.136 9.077 1.00 0.00 H new ATOM 286 N LEU A 23 -3.958 3.722 5.460 1.00 0.00 N ATOM 287 CA LEU A 23 -4.869 3.394 4.377 1.00 0.00 C ATOM 288 C LEU A 23 -5.993 4.431 4.330 1.00 0.00 C ATOM 289 O LEU A 23 -6.172 5.113 3.322 1.00 0.00 O ATOM 290 CB LEU A 23 -5.367 1.953 4.512 1.00 0.00 C ATOM 291 CG LEU A 23 -5.056 1.023 3.338 1.00 0.00 C ATOM 292 CD1 LEU A 23 -5.761 1.494 2.064 1.00 0.00 C ATOM 293 CD2 LEU A 23 -3.546 0.878 3.138 1.00 0.00 C ATOM 0 H LEU A 23 -3.868 3.000 6.175 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.352 3.439 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.934 1.523 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.447 1.975 4.656 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.445 0.033 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.523 0.816 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.839 1.503 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.424 2.499 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.353 0.212 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.110 1.856 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.098 0.463 4.041 1.00 0.00 H new ATOM 305 N GLU A 24 -6.722 4.516 5.433 1.00 0.00 N ATOM 306 CA GLU A 24 -7.824 5.459 5.531 1.00 0.00 C ATOM 307 C GLU A 24 -7.387 6.840 5.039 1.00 0.00 C ATOM 308 O GLU A 24 -8.219 7.653 4.641 1.00 0.00 O ATOM 309 CB GLU A 24 -8.358 5.531 6.963 1.00 0.00 C ATOM 310 CG GLU A 24 -9.093 4.242 7.340 1.00 0.00 C ATOM 311 CD GLU A 24 -9.188 4.090 8.859 1.00 0.00 C ATOM 312 OE1 GLU A 24 -9.580 5.085 9.506 1.00 0.00 O ATOM 313 OE2 GLU A 24 -8.867 2.982 9.339 1.00 0.00 O ATOM 0 H GLU A 24 -6.571 3.948 6.266 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.635 5.108 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.532 5.699 7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.033 6.381 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.094 4.250 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.570 3.384 6.917 1.00 0.00 H new ATOM 320 N ASN A 25 -6.081 7.062 5.082 1.00 0.00 N ATOM 321 CA ASN A 25 -5.523 8.331 4.645 1.00 0.00 C ATOM 322 C ASN A 25 -4.557 8.085 3.484 1.00 0.00 C ATOM 323 O ASN A 25 -3.377 8.419 3.573 1.00 0.00 O ATOM 324 CB ASN A 25 -4.743 9.007 5.774 1.00 0.00 C ATOM 325 CG ASN A 25 -5.513 8.932 7.094 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.715 8.722 7.131 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.757 9.116 8.173 1.00 0.00 N ATOM 0 H ASN A 25 -5.394 6.385 5.413 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.348 8.975 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.771 8.526 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.555 10.050 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.178 9.086 9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.757 9.287 8.072 1.00 0.00 H new ATOM 334 N LEU A 26 -5.095 7.504 2.422 1.00 0.00 N ATOM 335 CA LEU A 26 -4.295 7.210 1.245 1.00 0.00 C ATOM 336 C LEU A 26 -4.387 8.383 0.266 1.00 0.00 C ATOM 337 O LEU A 26 -3.405 8.726 -0.391 1.00 0.00 O ATOM 338 CB LEU A 26 -4.709 5.868 0.638 1.00 0.00 C ATOM 339 CG LEU A 26 -3.572 4.890 0.335 1.00 0.00 C ATOM 340 CD1 LEU A 26 -4.058 3.742 -0.551 1.00 0.00 C ATOM 341 CD2 LEU A 26 -2.371 5.617 -0.275 1.00 0.00 C ATOM 0 H LEU A 26 -6.075 7.229 2.352 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.245 7.101 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.407 5.383 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.251 6.062 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.239 4.451 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.230 3.061 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.857 3.202 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.434 4.143 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.577 4.899 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.672 6.101 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.007 6.369 0.425 1.00 0.00 H new ATOM 353 N GLU A 27 -5.575 8.965 0.199 1.00 0.00 N ATOM 354 CA GLU A 27 -5.807 10.091 -0.689 1.00 0.00 C ATOM 355 C GLU A 27 -5.040 11.321 -0.198 1.00 0.00 C ATOM 356 O GLU A 27 -4.530 12.100 -1.001 1.00 0.00 O ATOM 357 CB GLU A 27 -7.302 10.391 -0.814 1.00 0.00 C ATOM 358 CG GLU A 27 -8.089 9.126 -1.160 1.00 0.00 C ATOM 359 CD GLU A 27 -9.453 9.474 -1.759 1.00 0.00 C ATOM 360 OE1 GLU A 27 -9.666 10.677 -2.024 1.00 0.00 O ATOM 361 OE2 GLU A 27 -10.252 8.530 -1.938 1.00 0.00 O ATOM 0 H GLU A 27 -6.387 8.678 0.745 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.438 9.829 -1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.672 10.809 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.462 11.145 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.521 8.522 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.225 8.522 -0.263 1.00 0.00 H new ATOM 368 N ASN A 28 -4.983 11.456 1.119 1.00 0.00 N ATOM 369 CA ASN A 28 -4.287 12.578 1.726 1.00 0.00 C ATOM 370 C ASN A 28 -2.782 12.300 1.723 1.00 0.00 C ATOM 371 O ASN A 28 -1.986 13.180 1.400 1.00 0.00 O ATOM 372 CB ASN A 28 -4.727 12.779 3.177 1.00 0.00 C ATOM 373 CG ASN A 28 -5.157 14.227 3.424 1.00 0.00 C ATOM 374 OD1 ASN A 28 -4.434 15.028 3.993 1.00 0.00 O ATOM 375 ND2 ASN A 28 -6.371 14.516 2.966 1.00 0.00 N ATOM 0 H ASN A 28 -5.407 10.807 1.782 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.523 13.473 1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.553 12.106 3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.908 12.519 3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.749 15.456 3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.924 13.798 2.499 1.00 0.00 H new ATOM 382 N LEU A 29 -2.438 11.074 2.087 1.00 0.00 N ATOM 383 CA LEU A 29 -1.043 10.670 2.130 1.00 0.00 C ATOM 384 C LEU A 29 -0.336 11.157 0.864 1.00 0.00 C ATOM 385 O LEU A 29 -0.932 11.187 -0.211 1.00 0.00 O ATOM 386 CB LEU A 29 -0.929 9.161 2.357 1.00 0.00 C ATOM 387 CG LEU A 29 0.358 8.503 1.856 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.395 8.401 2.977 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.067 7.142 1.220 1.00 0.00 C ATOM 0 H LEU A 29 -3.101 10.347 2.355 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.538 11.135 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.021 8.966 3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.775 8.675 1.871 1.00 0.00 H new ATOM 0 HG LEU A 29 0.785 9.137 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.300 7.930 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.633 9.399 3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.991 7.801 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.999 6.696 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.396 6.487 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.610 7.272 0.376 1.00 0.00 H new ATOM 401 N ASP A 30 0.926 11.525 1.034 1.00 0.00 N ATOM 402 CA ASP A 30 1.720 12.009 -0.082 1.00 0.00 C ATOM 403 C ASP A 30 2.793 10.974 -0.426 1.00 0.00 C ATOM 404 O ASP A 30 3.539 10.535 0.447 1.00 0.00 O ATOM 405 CB ASP A 30 2.425 13.320 0.271 1.00 0.00 C ATOM 406 CG ASP A 30 3.400 13.837 -0.789 1.00 0.00 C ATOM 407 OD1 ASP A 30 3.259 13.399 -1.951 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.265 14.657 -0.413 1.00 0.00 O ATOM 0 H ASP A 30 1.417 11.498 1.927 1.00 0.00 H new ATOM 0 HA ASP A 30 1.050 12.175 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.669 14.084 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.968 13.182 1.206 1.00 0.00 H new ATOM 413 N VAL A 31 2.835 10.613 -1.701 1.00 0.00 N ATOM 414 CA VAL A 31 3.803 9.638 -2.171 1.00 0.00 C ATOM 415 C VAL A 31 5.153 10.326 -2.383 1.00 0.00 C ATOM 416 O VAL A 31 6.203 9.713 -2.197 1.00 0.00 O ATOM 417 CB VAL A 31 3.280 8.946 -3.431 1.00 0.00 C ATOM 418 CG1 VAL A 31 2.879 9.973 -4.493 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.311 7.960 -3.984 1.00 0.00 C ATOM 0 H VAL A 31 2.214 10.979 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 31 3.950 8.857 -1.425 1.00 0.00 H new ATOM 0 HB VAL A 31 2.389 8.380 -3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.511 9.456 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.095 10.618 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.746 10.577 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.914 7.482 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.228 8.494 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.527 7.200 -3.233 1.00 0.00 H new ATOM 429 N SER A 32 5.081 11.592 -2.769 1.00 0.00 N ATOM 430 CA SER A 32 6.284 12.370 -3.008 1.00 0.00 C ATOM 431 C SER A 32 6.844 12.889 -1.682 1.00 0.00 C ATOM 432 O SER A 32 7.814 13.646 -1.668 1.00 0.00 O ATOM 433 CB SER A 32 6.006 13.536 -3.959 1.00 0.00 C ATOM 434 OG SER A 32 6.657 13.367 -5.216 1.00 0.00 O ATOM 0 H SER A 32 4.208 12.098 -2.922 1.00 0.00 H new ATOM 0 HA SER A 32 7.023 11.721 -3.478 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.931 13.627 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.341 14.466 -3.500 1.00 0.00 H new ATOM 0 HG SER A 32 6.453 14.131 -5.795 1.00 0.00 H new ATOM 440 N ALA A 33 6.209 12.462 -0.601 1.00 0.00 N ATOM 441 CA ALA A 33 6.632 12.875 0.727 1.00 0.00 C ATOM 442 C ALA A 33 7.703 11.909 1.239 1.00 0.00 C ATOM 443 O ALA A 33 8.728 12.338 1.766 1.00 0.00 O ATOM 444 CB ALA A 33 5.415 12.940 1.653 1.00 0.00 C ATOM 0 H ALA A 33 5.405 11.834 -0.617 1.00 0.00 H new ATOM 0 HA ALA A 33 7.073 13.871 0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.732 13.250 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.697 13.660 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.948 11.957 1.710 1.00 0.00 H new ATOM 450 N PHE A 34 7.428 10.625 1.065 1.00 0.00 N ATOM 451 CA PHE A 34 8.355 9.596 1.504 1.00 0.00 C ATOM 452 C PHE A 34 9.783 9.918 1.058 1.00 0.00 C ATOM 453 O PHE A 34 10.006 10.318 -0.084 1.00 0.00 O ATOM 454 CB PHE A 34 7.913 8.286 0.847 1.00 0.00 C ATOM 455 CG PHE A 34 6.516 7.822 1.265 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.313 7.309 2.508 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.477 7.924 0.393 1.00 0.00 C ATOM 458 CE1 PHE A 34 5.016 6.878 2.895 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.180 7.493 0.780 1.00 0.00 C ATOM 460 CZ PHE A 34 3.977 6.980 2.023 1.00 0.00 C ATOM 0 H PHE A 34 6.577 10.274 0.626 1.00 0.00 H new ATOM 0 HA PHE A 34 8.348 9.529 2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.935 8.409 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.633 7.506 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.138 7.229 3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.638 8.333 -0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.855 6.469 3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.355 7.573 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.991 6.654 2.318 1.00 0.00 H new ATOM 470 N GLN A 35 10.714 9.733 1.983 1.00 0.00 N ATOM 471 CA GLN A 35 12.114 9.999 1.700 1.00 0.00 C ATOM 472 C GLN A 35 12.836 8.702 1.330 1.00 0.00 C ATOM 473 O GLN A 35 14.055 8.693 1.162 1.00 0.00 O ATOM 474 CB GLN A 35 12.792 10.685 2.887 1.00 0.00 C ATOM 475 CG GLN A 35 11.827 11.639 3.594 1.00 0.00 C ATOM 476 CD GLN A 35 12.457 12.214 4.865 1.00 0.00 C ATOM 477 OE1 GLN A 35 13.558 12.739 4.859 1.00 0.00 O ATOM 478 NE2 GLN A 35 11.699 12.085 5.950 1.00 0.00 N ATOM 0 H GLN A 35 10.526 9.402 2.929 1.00 0.00 H new ATOM 0 HA GLN A 35 12.170 10.678 0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.147 9.933 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.666 11.237 2.542 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.554 12.451 2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.908 11.111 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.786 11.635 5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.030 12.437 6.848 1.00 0.00 H new ATOM 487 N ALA A 36 12.054 7.639 1.212 1.00 0.00 N ATOM 488 CA ALA A 36 12.605 6.340 0.865 1.00 0.00 C ATOM 489 C ALA A 36 13.397 6.459 -0.438 1.00 0.00 C ATOM 490 O ALA A 36 13.333 7.483 -1.117 1.00 0.00 O ATOM 491 CB ALA A 36 11.472 5.315 0.768 1.00 0.00 C ATOM 0 H ALA A 36 11.044 7.651 1.350 1.00 0.00 H new ATOM 0 HA ALA A 36 13.292 5.995 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.885 4.340 0.508 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.959 5.248 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.764 5.626 -0.000 1.00 0.00 H new ATOM 497 N PRO A 37 14.145 5.369 -0.757 1.00 0.00 N ATOM 498 CA PRO A 37 14.949 5.341 -1.967 1.00 0.00 C ATOM 499 C PRO A 37 14.071 5.143 -3.205 1.00 0.00 C ATOM 500 O PRO A 37 12.981 4.580 -3.113 1.00 0.00 O ATOM 501 CB PRO A 37 15.940 4.208 -1.755 1.00 0.00 C ATOM 502 CG PRO A 37 15.358 3.348 -0.645 1.00 0.00 C ATOM 503 CD PRO A 37 14.245 4.139 0.023 1.00 0.00 C ATOM 0 HA PRO A 37 15.471 6.281 -2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.073 3.629 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.921 4.594 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.972 2.413 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.129 3.087 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.306 3.586 0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.480 4.350 1.066 1.00 0.00 H new ATOM 511 N GLU A 38 14.578 5.617 -4.333 1.00 0.00 N ATOM 512 CA GLU A 38 13.854 5.499 -5.587 1.00 0.00 C ATOM 513 C GLU A 38 13.845 4.044 -6.061 1.00 0.00 C ATOM 514 O GLU A 38 13.156 3.704 -7.021 1.00 0.00 O ATOM 515 CB GLU A 38 14.451 6.419 -6.654 1.00 0.00 C ATOM 516 CG GLU A 38 13.670 7.732 -6.744 1.00 0.00 C ATOM 517 CD GLU A 38 12.876 7.808 -8.050 1.00 0.00 C ATOM 518 OE1 GLU A 38 12.309 6.762 -8.431 1.00 0.00 O ATOM 519 OE2 GLU A 38 12.854 8.911 -8.637 1.00 0.00 O ATOM 0 H GLU A 38 15.482 6.084 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 38 12.824 5.812 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.494 6.628 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.438 5.917 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.991 7.814 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.359 8.574 -6.683 1.00 0.00 H new ATOM 526 N ASP A 39 14.620 3.224 -5.365 1.00 0.00 N ATOM 527 CA ASP A 39 14.710 1.814 -5.702 1.00 0.00 C ATOM 528 C ASP A 39 14.226 0.978 -4.515 1.00 0.00 C ATOM 529 O ASP A 39 14.550 -0.204 -4.411 1.00 0.00 O ATOM 530 CB ASP A 39 16.154 1.411 -6.007 1.00 0.00 C ATOM 531 CG ASP A 39 17.042 2.540 -6.533 1.00 0.00 C ATOM 532 OD1 ASP A 39 16.741 3.029 -7.644 1.00 0.00 O ATOM 533 OD2 ASP A 39 18.003 2.889 -5.814 1.00 0.00 O ATOM 0 H ASP A 39 15.191 3.510 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 39 14.093 1.638 -6.583 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.603 1.009 -5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.143 0.605 -6.741 1.00 0.00 H new ATOM 538 N LEU A 40 13.459 1.625 -3.651 1.00 0.00 N ATOM 539 CA LEU A 40 12.928 0.956 -2.475 1.00 0.00 C ATOM 540 C LEU A 40 12.517 -0.470 -2.847 1.00 0.00 C ATOM 541 O LEU A 40 13.100 -1.436 -2.357 1.00 0.00 O ATOM 542 CB LEU A 40 11.797 1.780 -1.855 1.00 0.00 C ATOM 543 CG LEU A 40 11.122 1.172 -0.624 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.147 0.875 0.473 1.00 0.00 C ATOM 545 CD2 LEU A 40 9.989 2.069 -0.121 1.00 0.00 C ATOM 0 H LEU A 40 13.192 2.605 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 40 13.694 0.877 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.194 2.758 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.036 1.947 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 40 10.676 0.221 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.641 0.444 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.888 0.170 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.643 1.800 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.526 1.614 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.390 3.046 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.242 2.187 -0.906 1.00 0.00 H new ATOM 557 N LEU A 41 11.516 -0.557 -3.711 1.00 0.00 N ATOM 558 CA LEU A 41 11.020 -1.849 -4.154 1.00 0.00 C ATOM 559 C LEU A 41 11.747 -2.256 -5.438 1.00 0.00 C ATOM 560 O LEU A 41 11.111 -2.553 -6.448 1.00 0.00 O ATOM 561 CB LEU A 41 9.497 -1.819 -4.293 1.00 0.00 C ATOM 562 CG LEU A 41 8.747 -0.957 -3.276 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.381 -0.532 -3.818 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.631 -1.675 -1.929 1.00 0.00 C ATOM 0 H LEU A 41 11.035 0.246 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 41 11.234 -2.615 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.250 -1.463 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.125 -2.841 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 41 9.324 -0.047 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.869 0.080 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.516 0.045 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.783 -1.418 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.094 -1.041 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.089 -2.611 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.628 -1.885 -1.542 1.00 0.00 H new ATOM 576 N ASP A 42 13.069 -2.257 -5.356 1.00 0.00 N ATOM 577 CA ASP A 42 13.889 -2.623 -6.498 1.00 0.00 C ATOM 578 C ASP A 42 13.689 -4.107 -6.810 1.00 0.00 C ATOM 579 O ASP A 42 13.884 -4.959 -5.945 1.00 0.00 O ATOM 580 CB ASP A 42 15.374 -2.397 -6.206 1.00 0.00 C ATOM 581 CG ASP A 42 16.335 -3.214 -7.072 1.00 0.00 C ATOM 582 OD1 ASP A 42 15.967 -3.473 -8.238 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.416 -3.560 -6.549 1.00 0.00 O ATOM 0 H ASP A 42 13.593 -2.010 -4.516 1.00 0.00 H new ATOM 0 HA ASP A 42 13.589 -2.001 -7.341 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.598 -1.339 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.563 -2.633 -5.159 1.00 0.00 H new ATOM 588 N GLY A 43 13.301 -4.372 -8.049 1.00 0.00 N ATOM 589 CA GLY A 43 13.072 -5.738 -8.486 1.00 0.00 C ATOM 590 C GLY A 43 12.045 -6.435 -7.592 1.00 0.00 C ATOM 591 O GLY A 43 12.179 -7.621 -7.293 1.00 0.00 O ATOM 0 H GLY A 43 13.139 -3.663 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.721 -5.739 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.011 -6.292 -8.468 1.00 0.00 H new ATOM 595 N CYS A 44 11.042 -5.668 -7.189 1.00 0.00 N ATOM 596 CA CYS A 44 9.993 -6.197 -6.334 1.00 0.00 C ATOM 597 C CYS A 44 8.646 -5.946 -7.016 1.00 0.00 C ATOM 598 O CYS A 44 8.152 -4.820 -7.026 1.00 0.00 O ATOM 599 CB CYS A 44 10.044 -5.588 -4.932 1.00 0.00 C ATOM 600 SG CYS A 44 11.683 -5.895 -4.176 1.00 0.00 S ATOM 0 H CYS A 44 10.934 -4.685 -7.439 1.00 0.00 H new ATOM 0 HA CYS A 44 10.137 -7.269 -6.198 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.854 -4.516 -4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.260 -6.021 -4.310 1.00 0.00 H new ATOM 0 HG CYS A 44 12.581 -5.174 -4.779 1.00 0.00 H new ATOM 606 N ARG A 45 8.091 -7.014 -7.570 1.00 0.00 N ATOM 607 CA ARG A 45 6.812 -6.924 -8.253 1.00 0.00 C ATOM 608 C ARG A 45 5.665 -7.041 -7.247 1.00 0.00 C ATOM 609 O ARG A 45 5.574 -8.025 -6.515 1.00 0.00 O ATOM 610 CB ARG A 45 6.671 -8.024 -9.307 1.00 0.00 C ATOM 611 CG ARG A 45 7.502 -7.701 -10.550 1.00 0.00 C ATOM 612 CD ARG A 45 7.865 -8.976 -11.314 1.00 0.00 C ATOM 613 NE ARG A 45 9.180 -9.480 -10.859 1.00 0.00 N ATOM 614 CZ ARG A 45 10.332 -8.811 -11.003 1.00 0.00 C ATOM 615 NH1 ARG A 45 10.338 -7.606 -11.590 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.478 -9.346 -10.561 1.00 0.00 N ATOM 0 H ARG A 45 8.504 -7.947 -7.560 1.00 0.00 H new ATOM 0 HA ARG A 45 6.768 -5.954 -8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.992 -8.978 -8.888 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.623 -8.135 -9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.943 -7.029 -11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.412 -7.177 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.100 -9.736 -11.155 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.894 -8.773 -12.384 1.00 0.00 H new ATOM 0 HE ARG A 45 9.211 -10.394 -10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.466 -7.198 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.215 -7.097 -11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.474 -10.263 -10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.355 -8.836 -10.671 1.00 0.00 H new ATOM 630 N ILE A 46 4.817 -6.022 -7.243 1.00 0.00 N ATOM 631 CA ILE A 46 3.680 -5.998 -6.340 1.00 0.00 C ATOM 632 C ILE A 46 2.390 -5.876 -7.153 1.00 0.00 C ATOM 633 O ILE A 46 2.365 -5.210 -8.187 1.00 0.00 O ATOM 634 CB ILE A 46 3.852 -4.898 -5.290 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.259 -4.927 -4.691 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.768 -4.992 -4.214 1.00 0.00 C ATOM 637 CD1 ILE A 46 5.960 -3.579 -4.871 1.00 0.00 C ATOM 0 H ILE A 46 4.895 -5.207 -7.851 1.00 0.00 H new ATOM 0 HA ILE A 46 3.618 -6.932 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 46 3.732 -3.933 -5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.202 -5.172 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.845 -5.712 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.914 -4.199 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.787 -4.883 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.831 -5.961 -3.718 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.958 -3.627 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.038 -3.348 -5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.384 -2.800 -4.372 1.00 0.00 H new ATOM 649 N TYR A 47 1.350 -6.529 -6.656 1.00 0.00 N ATOM 650 CA TYR A 47 0.060 -6.501 -7.324 1.00 0.00 C ATOM 651 C TYR A 47 -0.955 -5.682 -6.524 1.00 0.00 C ATOM 652 O TYR A 47 -1.266 -6.017 -5.382 1.00 0.00 O ATOM 653 CB TYR A 47 -0.413 -7.955 -7.388 1.00 0.00 C ATOM 654 CG TYR A 47 -1.860 -8.119 -7.858 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.143 -8.204 -9.206 1.00 0.00 C ATOM 656 CD2 TYR A 47 -2.883 -8.181 -6.933 1.00 0.00 C ATOM 657 CE1 TYR A 47 -3.504 -8.358 -9.648 1.00 0.00 C ATOM 658 CE2 TYR A 47 -4.244 -8.335 -7.375 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.488 -8.416 -8.710 1.00 0.00 C ATOM 660 OH TYR A 47 -5.774 -8.561 -9.127 1.00 0.00 O ATOM 0 H TYR A 47 1.374 -7.081 -5.798 1.00 0.00 H new ATOM 0 HA TYR A 47 0.149 -6.046 -8.310 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.242 -8.510 -8.060 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.310 -8.404 -6.400 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.343 -8.155 -9.930 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.662 -8.114 -5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.739 -8.426 -10.700 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.054 -8.385 -6.662 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.359 -7.987 -8.589 1.00 0.00 H new ATOM 670 N LEU A 48 -1.443 -4.624 -7.155 1.00 0.00 N ATOM 671 CA LEU A 48 -2.416 -3.755 -6.516 1.00 0.00 C ATOM 672 C LEU A 48 -3.817 -4.342 -6.700 1.00 0.00 C ATOM 673 O LEU A 48 -4.190 -4.731 -7.806 1.00 0.00 O ATOM 674 CB LEU A 48 -2.276 -2.322 -7.034 1.00 0.00 C ATOM 675 CG LEU A 48 -1.058 -1.543 -6.533 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.004 -0.148 -7.159 1.00 0.00 C ATOM 677 CD2 LEU A 48 -1.034 -1.487 -5.004 1.00 0.00 C ATOM 0 H LEU A 48 -1.183 -4.349 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.232 -3.701 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.240 -2.352 -8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.174 -1.768 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.160 -2.073 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.129 0.384 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.939 -0.238 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.905 0.405 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.158 -0.928 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.937 -0.993 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.990 -2.500 -4.603 1.00 0.00 H new ATOM 689 N CYS A 49 -4.554 -4.387 -5.601 1.00 0.00 N ATOM 690 CA CYS A 49 -5.906 -4.920 -5.627 1.00 0.00 C ATOM 691 C CYS A 49 -6.791 -4.028 -4.755 1.00 0.00 C ATOM 692 O CYS A 49 -6.305 -3.377 -3.831 1.00 0.00 O ATOM 693 CB CYS A 49 -5.947 -6.381 -5.176 1.00 0.00 C ATOM 694 SG CYS A 49 -7.303 -7.263 -6.032 1.00 0.00 S ATOM 0 H CYS A 49 -4.241 -4.063 -4.686 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.282 -4.914 -6.650 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.994 -6.864 -5.393 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.092 -6.433 -4.097 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.327 -8.503 -5.643 1.00 0.00 H new ATOM 700 N GLY A 50 -8.076 -4.026 -5.079 1.00 0.00 N ATOM 701 CA GLY A 50 -9.034 -3.224 -4.336 1.00 0.00 C ATOM 702 C GLY A 50 -8.520 -1.796 -4.142 1.00 0.00 C ATOM 703 O GLY A 50 -8.438 -1.310 -3.015 1.00 0.00 O ATOM 0 H GLY A 50 -8.476 -4.567 -5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.985 -3.203 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.221 -3.682 -3.365 1.00 0.00 H new ATOM 707 N PHE A 51 -8.188 -1.164 -5.258 1.00 0.00 N ATOM 708 CA PHE A 51 -7.685 0.198 -5.225 1.00 0.00 C ATOM 709 C PHE A 51 -8.203 1.003 -6.419 1.00 0.00 C ATOM 710 O PHE A 51 -8.140 0.542 -7.558 1.00 0.00 O ATOM 711 CB PHE A 51 -6.160 0.114 -5.305 1.00 0.00 C ATOM 712 CG PHE A 51 -5.489 -0.296 -3.992 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.860 0.297 -2.826 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.522 -1.252 -3.992 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.238 -0.083 -1.607 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.900 -1.632 -2.773 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.271 -1.040 -1.607 1.00 0.00 C ATOM 0 H PHE A 51 -8.258 -1.570 -6.191 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.018 0.695 -4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.886 -0.602 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.769 1.083 -5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.628 1.057 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.227 -1.722 -4.919 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.533 0.387 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.132 -2.391 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.798 -1.329 -0.680 1.00 0.00 H new ATOM 727 N SER A 52 -8.704 2.192 -6.118 1.00 0.00 N ATOM 728 CA SER A 52 -9.232 3.065 -7.152 1.00 0.00 C ATOM 729 C SER A 52 -9.137 4.525 -6.704 1.00 0.00 C ATOM 730 O SER A 52 -8.924 4.803 -5.525 1.00 0.00 O ATOM 731 CB SER A 52 -10.681 2.707 -7.488 1.00 0.00 C ATOM 732 OG SER A 52 -10.778 1.948 -8.690 1.00 0.00 O ATOM 0 H SER A 52 -8.755 2.571 -5.172 1.00 0.00 H new ATOM 0 HA SER A 52 -8.634 2.928 -8.053 1.00 0.00 H new ATOM 0 HB2 SER A 52 -11.114 2.139 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.266 3.621 -7.588 1.00 0.00 H new ATOM 0 HG SER A 52 -10.030 1.317 -8.740 1.00 0.00 H new ATOM 738 N GLY A 53 -9.298 5.419 -7.669 1.00 0.00 N ATOM 739 CA GLY A 53 -9.233 6.843 -7.388 1.00 0.00 C ATOM 740 C GLY A 53 -7.810 7.264 -7.017 1.00 0.00 C ATOM 741 O GLY A 53 -6.876 7.057 -7.790 1.00 0.00 O ATOM 0 H GLY A 53 -9.473 5.185 -8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.567 7.405 -8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.913 7.088 -6.572 1.00 0.00 H new ATOM 745 N ARG A 54 -7.689 7.847 -5.833 1.00 0.00 N ATOM 746 CA ARG A 54 -6.395 8.299 -5.350 1.00 0.00 C ATOM 747 C ARG A 54 -5.611 7.126 -4.758 1.00 0.00 C ATOM 748 O ARG A 54 -4.432 6.948 -5.060 1.00 0.00 O ATOM 749 CB ARG A 54 -6.554 9.386 -4.286 1.00 0.00 C ATOM 750 CG ARG A 54 -6.572 10.778 -4.922 1.00 0.00 C ATOM 751 CD ARG A 54 -7.193 11.806 -3.974 1.00 0.00 C ATOM 752 NE ARG A 54 -7.507 13.050 -4.713 1.00 0.00 N ATOM 753 CZ ARG A 54 -7.697 14.242 -4.131 1.00 0.00 C ATOM 754 NH1 ARG A 54 -7.605 14.359 -2.799 1.00 0.00 N ATOM 755 NH2 ARG A 54 -7.979 15.316 -4.880 1.00 0.00 N ATOM 0 H ARG A 54 -8.466 8.017 -5.194 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.850 8.714 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.478 9.224 -3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.736 9.320 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.556 11.079 -5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.137 10.749 -5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.100 11.400 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.505 12.022 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.583 12.996 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.390 13.541 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.750 15.266 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.049 15.227 -5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.124 16.223 -4.437 1.00 0.00 H new ATOM 769 N LYS A 55 -6.297 6.357 -3.925 1.00 0.00 N ATOM 770 CA LYS A 55 -5.679 5.207 -3.288 1.00 0.00 C ATOM 771 C LYS A 55 -4.792 4.483 -4.303 1.00 0.00 C ATOM 772 O LYS A 55 -3.628 4.198 -4.024 1.00 0.00 O ATOM 773 CB LYS A 55 -6.743 4.311 -2.651 1.00 0.00 C ATOM 774 CG LYS A 55 -7.577 5.090 -1.632 1.00 0.00 C ATOM 775 CD LYS A 55 -7.991 4.194 -0.462 1.00 0.00 C ATOM 776 CE LYS A 55 -7.752 4.894 0.877 1.00 0.00 C ATOM 777 NZ LYS A 55 -9.031 5.090 1.595 1.00 0.00 N ATOM 0 H LYS A 55 -7.275 6.508 -3.677 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.033 5.526 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.394 3.906 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.264 3.463 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.003 5.938 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.465 5.494 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.045 3.931 -0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.426 3.262 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.072 4.300 1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.271 5.858 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.851 5.566 2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.667 5.675 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.475 4.166 1.772 1.00 0.00 H new ATOM 791 N LEU A 56 -5.376 4.205 -5.459 1.00 0.00 N ATOM 792 CA LEU A 56 -4.654 3.519 -6.516 1.00 0.00 C ATOM 793 C LEU A 56 -3.538 4.426 -7.037 1.00 0.00 C ATOM 794 O LEU A 56 -2.358 4.108 -6.899 1.00 0.00 O ATOM 795 CB LEU A 56 -5.619 3.045 -7.604 1.00 0.00 C ATOM 796 CG LEU A 56 -4.998 2.243 -8.750 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.911 1.299 -8.232 1.00 0.00 C ATOM 798 CD2 LEU A 56 -6.072 1.498 -9.544 1.00 0.00 C ATOM 0 H LEU A 56 -6.341 4.443 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.179 2.618 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.391 2.434 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.116 3.918 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.519 2.942 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.486 0.741 -9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.126 1.879 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.345 0.603 -7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.603 0.936 -10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.601 0.811 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.778 2.215 -9.963 1.00 0.00 H new ATOM 810 N ASP A 57 -3.950 5.540 -7.626 1.00 0.00 N ATOM 811 CA ASP A 57 -3.000 6.496 -8.168 1.00 0.00 C ATOM 812 C ASP A 57 -1.803 6.612 -7.222 1.00 0.00 C ATOM 813 O ASP A 57 -0.655 6.558 -7.659 1.00 0.00 O ATOM 814 CB ASP A 57 -3.631 7.883 -8.304 1.00 0.00 C ATOM 815 CG ASP A 57 -3.655 8.446 -9.727 1.00 0.00 C ATOM 816 OD1 ASP A 57 -2.876 7.927 -10.556 1.00 0.00 O ATOM 817 OD2 ASP A 57 -4.452 9.382 -9.953 1.00 0.00 O ATOM 0 H ASP A 57 -4.929 5.801 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.690 6.143 -9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.654 7.839 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.087 8.577 -7.664 1.00 0.00 H new ATOM 822 N LYS A 58 -2.113 6.768 -5.944 1.00 0.00 N ATOM 823 CA LYS A 58 -1.078 6.892 -4.932 1.00 0.00 C ATOM 824 C LYS A 58 -0.115 5.709 -5.047 1.00 0.00 C ATOM 825 O LYS A 58 1.051 5.884 -5.399 1.00 0.00 O ATOM 826 CB LYS A 58 -1.701 7.046 -3.543 1.00 0.00 C ATOM 827 CG LYS A 58 -2.300 8.442 -3.363 1.00 0.00 C ATOM 828 CD LYS A 58 -1.230 9.447 -2.933 1.00 0.00 C ATOM 829 CE LYS A 58 -1.837 10.835 -2.715 1.00 0.00 C ATOM 830 NZ LYS A 58 -0.771 11.856 -2.612 1.00 0.00 N ATOM 0 H LYS A 58 -3.067 6.811 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.493 7.797 -5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.476 6.293 -3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.944 6.870 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.756 8.769 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.093 8.408 -2.616 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.754 9.106 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.451 9.502 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.505 11.080 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.439 10.837 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.684 12.169 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.132 11.448 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.011 12.670 -3.213 1.00 0.00 H new ATOM 844 N LEU A 59 -0.638 4.530 -4.742 1.00 0.00 N ATOM 845 CA LEU A 59 0.161 3.318 -4.807 1.00 0.00 C ATOM 846 C LEU A 59 0.981 3.321 -6.098 1.00 0.00 C ATOM 847 O LEU A 59 2.208 3.241 -6.059 1.00 0.00 O ATOM 848 CB LEU A 59 -0.727 2.082 -4.645 1.00 0.00 C ATOM 849 CG LEU A 59 -0.709 1.420 -3.265 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.347 2.431 -2.176 1.00 0.00 C ATOM 851 CD2 LEU A 59 -2.037 0.717 -2.977 1.00 0.00 C ATOM 0 H LEU A 59 -1.605 4.389 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 59 0.870 3.284 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.754 2.364 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.424 1.342 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 59 0.067 0.655 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.341 1.934 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.641 2.845 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.082 3.236 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.998 0.255 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.848 1.445 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.213 -0.051 -3.730 1.00 0.00 H new ATOM 863 N ARG A 60 0.270 3.413 -7.213 1.00 0.00 N ATOM 864 CA ARG A 60 0.917 3.427 -8.514 1.00 0.00 C ATOM 865 C ARG A 60 2.207 4.249 -8.456 1.00 0.00 C ATOM 866 O ARG A 60 3.269 3.772 -8.855 1.00 0.00 O ATOM 867 CB ARG A 60 -0.007 4.015 -9.582 1.00 0.00 C ATOM 868 CG ARG A 60 -0.973 2.955 -10.114 1.00 0.00 C ATOM 869 CD ARG A 60 -2.004 3.577 -11.059 1.00 0.00 C ATOM 870 NE ARG A 60 -2.029 2.837 -12.340 1.00 0.00 N ATOM 871 CZ ARG A 60 -2.484 3.346 -13.493 1.00 0.00 C ATOM 872 NH1 ARG A 60 -2.954 4.600 -13.533 1.00 0.00 N ATOM 873 NH2 ARG A 60 -2.468 2.600 -14.607 1.00 0.00 N ATOM 0 H ARG A 60 -0.747 3.479 -7.242 1.00 0.00 H new ATOM 0 HA ARG A 60 1.151 2.396 -8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.571 4.848 -9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.588 4.415 -10.403 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.415 2.180 -10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.483 2.472 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.991 3.555 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.759 4.624 -11.239 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.678 1.879 -12.346 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.966 5.168 -12.686 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.300 4.987 -14.411 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.110 1.646 -14.577 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.814 2.987 -15.485 1.00 0.00 H new ATOM 887 N ARG A 61 2.072 5.469 -7.958 1.00 0.00 N ATOM 888 CA ARG A 61 3.213 6.361 -7.844 1.00 0.00 C ATOM 889 C ARG A 61 4.220 5.808 -6.834 1.00 0.00 C ATOM 890 O ARG A 61 5.427 5.847 -7.070 1.00 0.00 O ATOM 891 CB ARG A 61 2.776 7.760 -7.404 1.00 0.00 C ATOM 892 CG ARG A 61 1.994 8.464 -8.514 1.00 0.00 C ATOM 893 CD ARG A 61 1.841 9.957 -8.215 1.00 0.00 C ATOM 894 NE ARG A 61 1.394 10.674 -9.431 1.00 0.00 N ATOM 895 CZ ARG A 61 1.541 11.992 -9.622 1.00 0.00 C ATOM 896 NH1 ARG A 61 2.122 12.745 -8.679 1.00 0.00 N ATOM 897 NH2 ARG A 61 1.105 12.556 -10.756 1.00 0.00 N ATOM 0 H ARG A 61 1.190 5.861 -7.629 1.00 0.00 H new ATOM 0 HA ARG A 61 3.679 6.430 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.158 7.687 -6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.652 8.352 -7.139 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.508 8.331 -9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.010 8.007 -8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.120 10.103 -7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.790 10.366 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 61 0.946 10.131 -10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.453 12.315 -7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.234 13.748 -8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.661 11.982 -11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.216 13.559 -10.902 1.00 0.00 H new ATOM 911 N LEU A 62 3.687 5.304 -5.730 1.00 0.00 N ATOM 912 CA LEU A 62 4.525 4.744 -4.683 1.00 0.00 C ATOM 913 C LEU A 62 5.385 3.622 -5.270 1.00 0.00 C ATOM 914 O LEU A 62 6.597 3.774 -5.410 1.00 0.00 O ATOM 915 CB LEU A 62 3.671 4.305 -3.492 1.00 0.00 C ATOM 916 CG LEU A 62 3.493 5.338 -2.377 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.148 6.056 -2.505 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.671 4.695 -1.000 1.00 0.00 C ATOM 0 H LEU A 62 2.686 5.272 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 62 5.208 5.500 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.685 4.025 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.117 3.408 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 62 4.272 6.093 -2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.047 6.785 -1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.099 6.567 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.339 5.328 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.539 5.451 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.929 3.907 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.671 4.268 -0.924 1.00 0.00 H new ATOM 930 N ILE A 63 4.723 2.522 -5.597 1.00 0.00 N ATOM 931 CA ILE A 63 5.412 1.376 -6.165 1.00 0.00 C ATOM 932 C ILE A 63 6.502 1.864 -7.121 1.00 0.00 C ATOM 933 O ILE A 63 7.669 1.508 -6.971 1.00 0.00 O ATOM 934 CB ILE A 63 4.411 0.416 -6.811 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.583 -0.310 -5.749 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.118 -0.561 -7.753 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.160 -0.572 -6.247 1.00 0.00 C ATOM 0 H ILE A 63 3.717 2.400 -5.479 1.00 0.00 H new ATOM 0 HA ILE A 63 5.908 0.803 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 63 3.718 1.001 -7.415 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.062 -1.255 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.549 0.288 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.384 -1.232 -8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.626 -0.004 -8.540 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.848 -1.144 -7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.593 -1.089 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.675 0.376 -6.479 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.196 -1.190 -7.144 1.00 0.00 H new ATOM 949 N ASN A 64 6.081 2.671 -8.084 1.00 0.00 N ATOM 950 CA ASN A 64 7.007 3.212 -9.065 1.00 0.00 C ATOM 951 C ASN A 64 8.111 3.988 -8.344 1.00 0.00 C ATOM 952 O ASN A 64 9.290 3.832 -8.658 1.00 0.00 O ATOM 953 CB ASN A 64 6.298 4.175 -10.019 1.00 0.00 C ATOM 954 CG ASN A 64 6.889 4.086 -11.427 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.741 3.263 -11.720 1.00 0.00 O ATOM 956 ND2 ASN A 64 6.391 4.977 -12.280 1.00 0.00 N ATOM 0 H ASN A 64 5.111 2.963 -8.206 1.00 0.00 H new ATOM 0 HA ASN A 64 7.420 2.379 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.234 3.942 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.390 5.195 -9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.721 4.999 -13.245 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.679 5.638 -11.969 1.00 0.00 H new ATOM 963 N SER A 65 7.690 4.807 -7.392 1.00 0.00 N ATOM 964 CA SER A 65 8.629 5.608 -6.624 1.00 0.00 C ATOM 965 C SER A 65 9.656 4.701 -5.944 1.00 0.00 C ATOM 966 O SER A 65 10.792 5.109 -5.711 1.00 0.00 O ATOM 967 CB SER A 65 7.902 6.461 -5.583 1.00 0.00 C ATOM 968 OG SER A 65 8.810 7.194 -4.765 1.00 0.00 O ATOM 0 H SER A 65 6.711 4.934 -7.135 1.00 0.00 H new ATOM 0 HA SER A 65 9.145 6.281 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.229 7.154 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.285 5.819 -4.954 1.00 0.00 H new ATOM 0 HG SER A 65 8.307 7.727 -4.114 1.00 0.00 H new ATOM 974 N GLY A 66 9.218 3.487 -5.643 1.00 0.00 N ATOM 975 CA GLY A 66 10.085 2.519 -4.993 1.00 0.00 C ATOM 976 C GLY A 66 10.869 1.706 -6.025 1.00 0.00 C ATOM 977 O GLY A 66 11.846 1.040 -5.684 1.00 0.00 O ATOM 0 H GLY A 66 8.274 3.152 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.778 3.035 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.488 1.849 -4.374 1.00 0.00 H new ATOM 981 N GLY A 67 10.413 1.787 -7.266 1.00 0.00 N ATOM 982 CA GLY A 67 11.059 1.067 -8.350 1.00 0.00 C ATOM 983 C GLY A 67 10.344 -0.256 -8.633 1.00 0.00 C ATOM 984 O GLY A 67 10.558 -0.870 -9.678 1.00 0.00 O ATOM 0 H GLY A 67 9.603 2.341 -7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.061 1.683 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.101 0.874 -8.093 1.00 0.00 H new ATOM 988 N GLY A 68 9.510 -0.656 -7.685 1.00 0.00 N ATOM 989 CA GLY A 68 8.763 -1.894 -7.819 1.00 0.00 C ATOM 990 C GLY A 68 7.891 -1.875 -9.076 1.00 0.00 C ATOM 991 O GLY A 68 7.664 -0.818 -9.662 1.00 0.00 O ATOM 0 H GLY A 68 9.335 -0.144 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.453 -2.736 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.136 -2.042 -6.940 1.00 0.00 H new ATOM 995 N VAL A 69 7.427 -3.057 -9.454 1.00 0.00 N ATOM 996 CA VAL A 69 6.585 -3.190 -10.631 1.00 0.00 C ATOM 997 C VAL A 69 5.161 -3.542 -10.197 1.00 0.00 C ATOM 998 O VAL A 69 4.930 -4.598 -9.610 1.00 0.00 O ATOM 999 CB VAL A 69 7.188 -4.216 -11.592 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.155 -4.675 -12.623 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.436 -3.656 -12.279 1.00 0.00 C ATOM 0 H VAL A 69 7.618 -3.932 -8.966 1.00 0.00 H new ATOM 0 HA VAL A 69 6.535 -2.246 -11.174 1.00 0.00 H new ATOM 0 HB VAL A 69 7.488 -5.086 -11.008 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.610 -5.404 -13.294 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.308 -5.132 -12.111 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.810 -3.817 -13.200 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.845 -4.405 -12.957 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.170 -2.762 -12.844 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.182 -3.401 -11.526 1.00 0.00 H new ATOM 1011 N ARG A 70 4.243 -2.637 -10.503 1.00 0.00 N ATOM 1012 CA ARG A 70 2.847 -2.839 -10.153 1.00 0.00 C ATOM 1013 C ARG A 70 2.150 -3.689 -11.217 1.00 0.00 C ATOM 1014 O ARG A 70 1.924 -3.228 -12.335 1.00 0.00 O ATOM 1015 CB ARG A 70 2.115 -1.503 -10.016 1.00 0.00 C ATOM 1016 CG ARG A 70 0.629 -1.720 -9.719 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.239 -0.771 -10.548 1.00 0.00 C ATOM 1018 NE ARG A 70 -0.256 -1.205 -11.962 1.00 0.00 N ATOM 1019 CZ ARG A 70 0.512 -0.670 -12.922 1.00 0.00 C ATOM 1020 NH1 ARG A 70 1.361 0.323 -12.624 1.00 0.00 N ATOM 1021 NH2 ARG A 70 0.430 -1.127 -14.178 1.00 0.00 N ATOM 0 H ARG A 70 4.438 -1.762 -10.989 1.00 0.00 H new ATOM 0 HA ARG A 70 2.817 -3.356 -9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.568 -0.917 -9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.226 -0.928 -10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.357 -2.753 -9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.439 -1.559 -8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.254 -0.754 -10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.148 0.245 -10.476 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.892 -1.959 -12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.423 0.671 -11.667 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.946 0.730 -13.354 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.217 -1.882 -14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.014 -0.720 -14.908 1.00 0.00 H new ATOM 1035 N PHE A 71 1.828 -4.915 -10.832 1.00 0.00 N ATOM 1036 CA PHE A 71 1.161 -5.833 -11.739 1.00 0.00 C ATOM 1037 C PHE A 71 -0.356 -5.638 -11.700 1.00 0.00 C ATOM 1038 O PHE A 71 -1.005 -5.985 -10.715 1.00 0.00 O ATOM 1039 CB PHE A 71 1.493 -7.250 -11.266 1.00 0.00 C ATOM 1040 CG PHE A 71 2.474 -7.995 -12.173 1.00 0.00 C ATOM 1041 CD1 PHE A 71 3.691 -7.453 -12.448 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.130 -9.198 -12.704 1.00 0.00 C ATOM 1043 CE1 PHE A 71 4.602 -8.145 -13.290 1.00 0.00 C ATOM 1044 CE2 PHE A 71 3.041 -9.890 -13.546 1.00 0.00 C ATOM 1045 CZ PHE A 71 4.258 -9.348 -13.821 1.00 0.00 C ATOM 0 H PHE A 71 2.017 -5.294 -9.904 1.00 0.00 H new ATOM 0 HA PHE A 71 1.497 -5.656 -12.761 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.911 -7.198 -10.261 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.569 -7.825 -11.197 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.964 -6.497 -12.026 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.164 -9.628 -12.486 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.568 -7.715 -13.508 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.768 -10.846 -13.968 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.951 -9.874 -14.461 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.877 -5.082 -12.784 1.00 0.00 N ATOM 1056 CA ASN A 72 -2.306 -4.836 -12.886 1.00 0.00 C ATOM 1057 C ASN A 72 -3.055 -6.168 -12.811 1.00 0.00 C ATOM 1058 O ASN A 72 -4.245 -6.198 -12.504 1.00 0.00 O ATOM 1059 CB ASN A 72 -2.656 -4.170 -14.218 1.00 0.00 C ATOM 1060 CG ASN A 72 -3.620 -3.001 -14.010 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -3.670 -2.383 -12.959 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -4.381 -2.732 -15.068 1.00 0.00 N ATOM 0 H ASN A 72 -0.335 -4.795 -13.599 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.595 -4.177 -12.067 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.746 -3.814 -14.701 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.106 -4.903 -14.888 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.057 -1.969 -15.029 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.288 -3.289 -15.918 1.00 0.00 H new ATOM 1069 N GLN A 73 -2.326 -7.237 -13.098 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.907 -8.568 -13.067 1.00 0.00 C ATOM 1071 C GLN A 73 -2.113 -9.472 -12.120 1.00 0.00 C ATOM 1072 O GLN A 73 -0.917 -9.268 -11.919 1.00 0.00 O ATOM 1073 CB GLN A 73 -2.974 -9.170 -14.472 1.00 0.00 C ATOM 1074 CG GLN A 73 -1.656 -8.961 -15.221 1.00 0.00 C ATOM 1075 CD GLN A 73 -1.799 -9.337 -16.697 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -1.524 -10.451 -17.110 1.00 0.00 O ATOM 1077 NE2 GLN A 73 -2.244 -8.347 -17.466 1.00 0.00 N ATOM 0 H GLN A 73 -1.339 -7.208 -13.353 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.928 -8.489 -12.692 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.193 -10.236 -14.405 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.790 -8.711 -15.030 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.346 -7.919 -15.136 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -0.873 -9.565 -14.762 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.455 -7.438 -17.055 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.374 -8.497 -18.466 1.00 0.00 H new ATOM 1086 N LEU A 74 -2.811 -10.451 -11.564 1.00 0.00 N ATOM 1087 CA LEU A 74 -2.187 -11.386 -10.644 1.00 0.00 C ATOM 1088 C LEU A 74 -1.504 -12.500 -11.440 1.00 0.00 C ATOM 1089 O LEU A 74 -2.138 -13.156 -12.266 1.00 0.00 O ATOM 1090 CB LEU A 74 -3.207 -11.896 -9.624 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.636 -12.397 -8.296 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -1.172 -12.814 -8.452 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -2.820 -11.354 -7.192 1.00 0.00 C ATOM 0 H LEU A 74 -3.803 -10.617 -11.733 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.411 -10.887 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.913 -11.093 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.774 -12.707 -10.081 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.194 -13.284 -7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.790 -13.166 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.098 -13.614 -9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.584 -11.959 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.406 -11.735 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.304 -10.435 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.882 -11.148 -7.060 1.00 0.00 H new ATOM 1105 N ASN A 75 -0.221 -12.679 -11.165 1.00 0.00 N ATOM 1106 CA ASN A 75 0.555 -13.702 -11.845 1.00 0.00 C ATOM 1107 C ASN A 75 1.642 -14.223 -10.903 1.00 0.00 C ATOM 1108 O ASN A 75 1.683 -13.851 -9.731 1.00 0.00 O ATOM 1109 CB ASN A 75 1.241 -13.136 -13.091 1.00 0.00 C ATOM 1110 CG ASN A 75 0.307 -12.189 -13.848 1.00 0.00 C ATOM 1111 OD1 ASN A 75 0.572 -11.008 -14.004 1.00 0.00 O ATOM 1112 ND2 ASN A 75 -0.797 -12.771 -14.308 1.00 0.00 N ATOM 0 H ASN A 75 0.301 -12.133 -10.480 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.126 -14.501 -12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.148 -12.604 -12.802 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.546 -13.953 -13.746 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.484 -12.224 -14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.957 -13.765 -14.142 1.00 0.00 H new ATOM 1119 N GLU A 76 2.496 -15.075 -11.450 1.00 0.00 N ATOM 1120 CA GLU A 76 3.581 -15.651 -10.673 1.00 0.00 C ATOM 1121 C GLU A 76 4.787 -14.709 -10.667 1.00 0.00 C ATOM 1122 O GLU A 76 5.881 -15.100 -10.262 1.00 0.00 O ATOM 1123 CB GLU A 76 3.965 -17.032 -11.208 1.00 0.00 C ATOM 1124 CG GLU A 76 2.721 -17.850 -11.558 1.00 0.00 C ATOM 1125 CD GLU A 76 3.096 -19.107 -12.346 1.00 0.00 C ATOM 1126 OE1 GLU A 76 3.665 -20.024 -11.715 1.00 0.00 O ATOM 1127 OE2 GLU A 76 2.804 -19.123 -13.561 1.00 0.00 O ATOM 0 H GLU A 76 2.459 -15.381 -12.422 1.00 0.00 H new ATOM 0 HA GLU A 76 3.240 -15.778 -9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.593 -16.922 -12.092 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.556 -17.563 -10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.198 -18.132 -10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.033 -17.240 -12.144 1.00 0.00 H new ATOM 1134 N ASP A 77 4.547 -13.488 -11.120 1.00 0.00 N ATOM 1135 CA ASP A 77 5.600 -12.488 -11.171 1.00 0.00 C ATOM 1136 C ASP A 77 5.555 -11.640 -9.899 1.00 0.00 C ATOM 1137 O ASP A 77 6.576 -11.450 -9.239 1.00 0.00 O ATOM 1138 CB ASP A 77 5.414 -11.554 -12.368 1.00 0.00 C ATOM 1139 CG ASP A 77 5.057 -12.250 -13.683 1.00 0.00 C ATOM 1140 OD1 ASP A 77 4.124 -13.082 -13.650 1.00 0.00 O ATOM 1141 OD2 ASP A 77 5.725 -11.935 -14.692 1.00 0.00 O ATOM 0 H ASP A 77 3.638 -13.168 -11.455 1.00 0.00 H new ATOM 0 HA ASP A 77 6.554 -13.007 -11.263 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.630 -10.835 -12.130 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.333 -10.986 -12.513 1.00 0.00 H new ATOM 1146 N VAL A 78 4.361 -11.154 -9.591 1.00 0.00 N ATOM 1147 CA VAL A 78 4.170 -10.331 -8.409 1.00 0.00 C ATOM 1148 C VAL A 78 4.663 -11.093 -7.178 1.00 0.00 C ATOM 1149 O VAL A 78 4.387 -12.282 -7.027 1.00 0.00 O ATOM 1150 CB VAL A 78 2.705 -9.903 -8.301 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.769 -11.050 -8.688 1.00 0.00 C ATOM 1152 CG2 VAL A 78 2.387 -9.387 -6.896 1.00 0.00 C ATOM 0 H VAL A 78 3.516 -11.315 -10.140 1.00 0.00 H new ATOM 0 HA VAL A 78 4.757 -9.416 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 78 2.542 -9.086 -9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.734 -10.719 -8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.970 -11.352 -9.716 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.936 -11.896 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.340 -9.089 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.575 -10.176 -6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.019 -8.528 -6.672 1.00 0.00 H new ATOM 1162 N THR A 79 5.385 -10.377 -6.328 1.00 0.00 N ATOM 1163 CA THR A 79 5.919 -10.970 -5.114 1.00 0.00 C ATOM 1164 C THR A 79 5.122 -10.500 -3.895 1.00 0.00 C ATOM 1165 O THR A 79 5.219 -11.091 -2.820 1.00 0.00 O ATOM 1166 CB THR A 79 7.408 -10.628 -5.036 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.435 -9.204 -4.996 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.158 -10.979 -6.322 1.00 0.00 C ATOM 0 H THR A 79 5.613 -9.391 -6.457 1.00 0.00 H new ATOM 0 HA THR A 79 5.821 -12.055 -5.128 1.00 0.00 H new ATOM 0 HB THR A 79 7.859 -11.159 -4.197 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.008 -8.892 -4.171 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.210 -10.716 -6.213 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.069 -12.048 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.730 -10.423 -7.156 1.00 0.00 H new ATOM 1176 N HIS A 80 4.353 -9.442 -4.103 1.00 0.00 N ATOM 1177 CA HIS A 80 3.540 -8.886 -3.035 1.00 0.00 C ATOM 1178 C HIS A 80 2.188 -8.442 -3.596 1.00 0.00 C ATOM 1179 O HIS A 80 2.101 -8.008 -4.744 1.00 0.00 O ATOM 1180 CB HIS A 80 4.284 -7.758 -2.317 1.00 0.00 C ATOM 1181 CG HIS A 80 5.678 -8.128 -1.871 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.638 -8.617 -2.739 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.263 -8.075 -0.640 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.747 -8.845 -2.051 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.512 -8.509 -0.750 1.00 0.00 N ATOM 0 H HIS A 80 4.276 -8.955 -4.996 1.00 0.00 H new ATOM 0 HA HIS A 80 3.348 -9.652 -2.284 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.343 -6.895 -2.981 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.705 -7.451 -1.446 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.790 -7.737 0.270 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.674 -9.229 -2.450 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.186 -8.580 0.013 1.00 0.00 H new ATOM 1193 N VAL A 81 1.167 -8.565 -2.761 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.176 -8.181 -3.160 1.00 0.00 C ATOM 1195 C VAL A 81 -0.758 -7.220 -2.121 1.00 0.00 C ATOM 1196 O VAL A 81 -1.128 -7.636 -1.024 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.037 -9.429 -3.367 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.498 -9.051 -3.619 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.489 -10.289 -4.508 1.00 0.00 C ATOM 0 H VAL A 81 1.243 -8.925 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.154 -7.654 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.997 -10.020 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.088 -9.956 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.884 -8.498 -2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.564 -8.429 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.119 -11.170 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.486 -9.709 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.528 -10.601 -4.272 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.819 -5.953 -2.502 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.348 -4.929 -1.617 1.00 0.00 C ATOM 1211 C ILE A 82 -2.875 -4.922 -1.709 1.00 0.00 C ATOM 1212 O ILE A 82 -3.437 -4.574 -2.746 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.708 -3.574 -1.922 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.809 -3.706 -2.076 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.087 -2.537 -0.862 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.537 -3.114 -0.868 1.00 0.00 C ATOM 0 H ILE A 82 -0.511 -5.612 -3.412 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.091 -5.151 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.100 -3.219 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.077 -4.757 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.131 -3.197 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.619 -1.583 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.170 -2.415 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.743 -2.874 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.613 -3.221 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.286 -2.057 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.231 -3.641 0.036 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.504 -5.312 -0.609 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.955 -5.355 -0.553 1.00 0.00 C ATOM 1230 C VAL A 83 -5.474 -4.069 0.095 1.00 0.00 C ATOM 1231 O VAL A 83 -5.059 -3.713 1.196 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.413 -6.619 0.177 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.937 -6.754 0.137 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.737 -7.862 -0.403 1.00 0.00 C ATOM 0 H VAL A 83 -3.035 -5.601 0.250 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.375 -5.406 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.112 -6.531 1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.236 -7.661 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.392 -5.888 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.270 -6.809 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.080 -8.747 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.993 -7.956 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.656 -7.771 -0.298 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.375 -3.407 -0.618 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.955 -2.169 -0.126 1.00 0.00 C ATOM 1246 C GLY A 84 -8.315 -2.422 0.528 1.00 0.00 C ATOM 1247 O GLY A 84 -8.662 -1.778 1.516 1.00 0.00 O ATOM 0 H GLY A 84 -6.717 -3.705 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.280 -1.709 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.069 -1.464 -0.950 1.00 0.00 H new ATOM 1251 N ASP A 85 -9.048 -3.362 -0.051 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.362 -3.708 0.463 1.00 0.00 C ATOM 1253 C ASP A 85 -10.483 -5.231 0.558 1.00 0.00 C ATOM 1254 O ASP A 85 -10.909 -5.761 1.583 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.468 -3.203 -0.465 1.00 0.00 C ATOM 1256 CG ASP A 85 -11.554 -1.681 -0.600 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -11.173 -1.003 0.378 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -11.998 -1.231 -1.678 1.00 0.00 O ATOM 0 H ASP A 85 -8.757 -3.894 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.474 -3.243 1.442 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.315 -3.632 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.426 -3.575 -0.101 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.101 -5.891 -0.525 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.162 -7.342 -0.578 1.00 0.00 C ATOM 1265 C TYR A 86 -9.340 -7.883 -1.749 1.00 0.00 C ATOM 1266 O TYR A 86 -9.207 -7.221 -2.777 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.634 -7.695 -0.797 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.271 -6.991 -1.998 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -11.969 -7.405 -3.280 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.146 -5.943 -1.799 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.568 -6.742 -4.409 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.744 -5.280 -2.928 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.426 -5.713 -4.178 1.00 0.00 C ATOM 1274 OH TYR A 86 -13.992 -5.087 -5.245 1.00 0.00 O ATOM 0 H TYR A 86 -9.748 -5.448 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.760 -7.776 0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.722 -8.773 -0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.196 -7.439 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.284 -8.225 -3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.382 -5.620 -0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.341 -7.055 -5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.429 -4.458 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.584 -4.372 -4.929 1.00 0.00 H new ATOM 1284 N ASP A 87 -8.809 -9.081 -1.554 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.003 -9.719 -2.581 1.00 0.00 C ATOM 1286 C ASP A 87 -8.804 -10.857 -3.218 1.00 0.00 C ATOM 1287 O ASP A 87 -8.773 -11.988 -2.736 1.00 0.00 O ATOM 1288 CB ASP A 87 -6.725 -10.315 -1.988 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.947 -11.419 -0.952 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.847 -11.231 -0.105 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.211 -12.427 -1.031 1.00 0.00 O ATOM 0 H ASP A 87 -8.921 -9.627 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.739 -8.963 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.118 -10.716 -2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.149 -9.514 -1.525 1.00 0.00 H new ATOM 1296 N ASP A 88 -9.502 -10.518 -4.292 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.309 -11.496 -5.000 1.00 0.00 C ATOM 1298 C ASP A 88 -9.475 -12.127 -6.117 1.00 0.00 C ATOM 1299 O ASP A 88 -9.316 -13.346 -6.165 1.00 0.00 O ATOM 1300 CB ASP A 88 -11.536 -10.841 -5.638 1.00 0.00 C ATOM 1301 CG ASP A 88 -12.789 -10.822 -4.761 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.819 -11.619 -3.798 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -13.688 -10.013 -5.073 1.00 0.00 O ATOM 0 H ASP A 88 -9.525 -9.579 -4.689 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.635 -12.248 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.283 -9.815 -5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.768 -11.365 -6.565 1.00 0.00 H new ATOM 1308 N GLU A 89 -8.965 -11.269 -6.988 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.152 -11.726 -8.101 1.00 0.00 C ATOM 1310 C GLU A 89 -7.242 -12.874 -7.657 1.00 0.00 C ATOM 1311 O GLU A 89 -7.250 -13.946 -8.260 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.335 -10.576 -8.693 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.393 -10.592 -10.222 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.141 -12.000 -10.765 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -6.093 -12.573 -10.394 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -8.001 -12.472 -11.540 1.00 0.00 O ATOM 0 H GLU A 89 -9.099 -10.259 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.816 -12.095 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.716 -9.625 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.299 -10.654 -8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.368 -10.239 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.649 -9.904 -10.625 1.00 0.00 H new ATOM 1323 N LEU A 90 -6.479 -12.609 -6.607 1.00 0.00 N ATOM 1324 CA LEU A 90 -5.565 -13.605 -6.075 1.00 0.00 C ATOM 1325 C LEU A 90 -6.226 -14.984 -6.141 1.00 0.00 C ATOM 1326 O LEU A 90 -5.589 -15.964 -6.522 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.101 -13.212 -4.672 1.00 0.00 C ATOM 1328 CG LEU A 90 -3.597 -13.310 -4.411 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.128 -12.193 -3.477 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -3.221 -14.696 -3.880 1.00 0.00 C ATOM 0 H LEU A 90 -6.475 -11.718 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.661 -13.655 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.417 -12.186 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.617 -13.845 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.077 -13.176 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.055 -12.286 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.341 -11.225 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.653 -12.270 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.146 -14.739 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.750 -14.884 -2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.498 -15.454 -4.613 1.00 0.00 H new ATOM 1342 N LYS A 91 -7.496 -15.014 -5.763 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.250 -16.256 -5.775 1.00 0.00 C ATOM 1344 C LYS A 91 -8.114 -16.918 -7.147 1.00 0.00 C ATOM 1345 O LYS A 91 -7.744 -18.087 -7.242 1.00 0.00 O ATOM 1346 CB LYS A 91 -9.700 -16.006 -5.353 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.616 -15.906 -6.575 1.00 0.00 C ATOM 1348 CD LYS A 91 -12.088 -15.902 -6.157 1.00 0.00 C ATOM 1349 CE LYS A 91 -12.993 -15.557 -7.341 1.00 0.00 C ATOM 1350 NZ LYS A 91 -14.200 -16.414 -7.338 1.00 0.00 N ATOM 0 H LYS A 91 -8.021 -14.199 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.845 -16.955 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.039 -16.814 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.760 -15.086 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.389 -14.996 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.427 -16.744 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.360 -16.880 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.240 -15.179 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.285 -14.508 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.447 -15.691 -8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.803 -16.167 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.917 -17.412 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.729 -16.266 -6.455 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.421 -16.142 -8.176 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.338 -16.638 -9.539 1.00 0.00 C ATOM 1366 C GLN A 92 -6.920 -17.131 -9.839 1.00 0.00 C ATOM 1367 O GLN A 92 -6.741 -18.170 -10.472 1.00 0.00 O ATOM 1368 CB GLN A 92 -8.769 -15.565 -10.541 1.00 0.00 C ATOM 1369 CG GLN A 92 -9.955 -14.761 -10.006 1.00 0.00 C ATOM 1370 CD GLN A 92 -10.781 -14.174 -11.152 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -10.279 -13.872 -12.223 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.073 -14.030 -10.870 1.00 0.00 N ATOM 0 H GLN A 92 -8.728 -15.173 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.024 -17.479 -9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.933 -14.896 -10.744 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.040 -16.034 -11.487 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.585 -15.402 -9.390 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -9.594 -13.957 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.428 -14.303 -9.954 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -12.708 -13.647 -11.570 1.00 0.00 H new ATOM 1381 N PHE A 93 -5.949 -16.361 -9.371 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.554 -16.705 -9.581 1.00 0.00 C ATOM 1383 C PHE A 93 -4.173 -17.958 -8.789 1.00 0.00 C ATOM 1384 O PHE A 93 -3.264 -18.690 -9.178 1.00 0.00 O ATOM 1385 CB PHE A 93 -3.721 -15.525 -9.076 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.220 -15.812 -8.996 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.491 -15.946 -10.137 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.614 -15.933 -7.784 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.099 -16.212 -10.062 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.221 -16.199 -7.710 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.507 -16.333 -8.851 1.00 0.00 C ATOM 0 H PHE A 93 -6.101 -15.499 -8.847 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.376 -16.907 -10.637 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.883 -14.671 -9.734 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.079 -15.238 -8.087 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.972 -15.850 -11.099 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.192 -15.827 -6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.479 -16.318 -10.968 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.260 -16.295 -6.748 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.566 -16.536 -8.795 1.00 0.00 H new ATOM 1401 N TRP A 94 -4.888 -18.167 -7.694 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.637 -19.319 -6.844 1.00 0.00 C ATOM 1403 C TRP A 94 -5.135 -20.565 -7.579 1.00 0.00 C ATOM 1404 O TRP A 94 -4.666 -21.672 -7.318 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.283 -19.137 -5.469 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.349 -18.534 -4.418 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.012 -18.605 -4.365 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -4.739 -17.761 -3.263 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.514 -17.936 -3.265 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.598 -17.407 -2.574 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.015 -17.374 -2.816 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -3.617 -16.649 -1.397 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.017 -16.617 -1.639 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -4.877 -16.252 -0.933 1.00 0.00 C ATOM 0 H TRP A 94 -5.642 -17.558 -7.375 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.570 -19.432 -6.651 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.159 -18.496 -5.572 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.636 -20.105 -5.114 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.401 -19.121 -5.091 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.531 -17.846 -3.007 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.921 -17.640 -3.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.709 -16.385 -0.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.972 -16.294 -1.252 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -4.963 -15.665 -0.031 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.079 -20.344 -8.482 1.00 0.00 N ATOM 1426 CA ASN A 95 -6.645 -21.435 -9.256 1.00 0.00 C ATOM 1427 C ASN A 95 -5.915 -21.537 -10.596 1.00 0.00 C ATOM 1428 O ASN A 95 -6.255 -22.375 -11.430 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.129 -21.195 -9.543 1.00 0.00 C ATOM 1430 CG ASN A 95 -8.965 -22.422 -9.174 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -8.777 -23.511 -9.691 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -9.895 -22.186 -8.253 1.00 0.00 N ATOM 0 H ASN A 95 -6.466 -19.425 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.533 -22.352 -8.677 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.477 -20.330 -8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.266 -20.962 -10.599 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.504 -22.941 -7.938 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.999 -21.250 -7.861 1.00 0.00 H new ATOM 1439 N LYS A 96 -4.924 -20.673 -10.761 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.143 -20.656 -11.986 1.00 0.00 C ATOM 1441 C LYS A 96 -2.755 -21.238 -11.709 1.00 0.00 C ATOM 1442 O LYS A 96 -2.500 -22.407 -11.992 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.111 -19.247 -12.581 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.473 -18.869 -13.168 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.321 -18.293 -14.577 1.00 0.00 C ATOM 1446 CE LYS A 96 -6.663 -17.785 -15.109 1.00 0.00 C ATOM 1447 NZ LYS A 96 -6.806 -18.105 -16.547 1.00 0.00 N ATOM 0 H LYS A 96 -4.644 -19.980 -10.067 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.608 -21.287 -12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.831 -18.529 -11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.349 -19.194 -13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.117 -19.748 -13.198 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.961 -18.138 -12.523 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.598 -17.477 -14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.926 -19.058 -15.246 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.479 -18.239 -14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.735 -16.707 -14.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.722 -17.753 -16.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.038 -17.652 -17.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.759 -19.135 -16.680 1.00 0.00 H new ATOM 1461 N SER A 97 -1.894 -20.394 -11.157 1.00 0.00 N ATOM 1462 CA SER A 97 -0.539 -20.810 -10.839 1.00 0.00 C ATOM 1463 C SER A 97 -0.415 -21.086 -9.339 1.00 0.00 C ATOM 1464 O SER A 97 -1.210 -20.586 -8.545 1.00 0.00 O ATOM 1465 CB SER A 97 0.478 -19.751 -11.269 1.00 0.00 C ATOM 1466 OG SER A 97 0.582 -19.657 -12.688 1.00 0.00 O ATOM 0 H SER A 97 -2.109 -19.425 -10.922 1.00 0.00 H new ATOM 0 HA SER A 97 -0.324 -21.726 -11.390 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.188 -18.783 -10.862 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.454 -19.994 -10.849 1.00 0.00 H new ATOM 0 HG SER A 97 0.630 -18.714 -12.951 1.00 0.00 H new ATOM 1472 N ALA A 98 0.588 -21.880 -8.996 1.00 0.00 N ATOM 1473 CA ALA A 98 0.826 -22.228 -7.606 1.00 0.00 C ATOM 1474 C ALA A 98 1.860 -21.267 -7.014 1.00 0.00 C ATOM 1475 O ALA A 98 3.061 -21.450 -7.202 1.00 0.00 O ATOM 1476 CB ALA A 98 1.269 -23.690 -7.514 1.00 0.00 C ATOM 0 H ALA A 98 1.246 -22.293 -9.657 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.090 -22.128 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.448 -23.951 -6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.488 -24.333 -7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.187 -23.829 -8.085 1.00 0.00 H new ATOM 1482 N HIS A 99 1.354 -20.265 -6.311 1.00 0.00 N ATOM 1483 CA HIS A 99 2.218 -19.275 -5.691 1.00 0.00 C ATOM 1484 C HIS A 99 1.462 -18.569 -4.563 1.00 0.00 C ATOM 1485 O HIS A 99 0.255 -18.354 -4.659 1.00 0.00 O ATOM 1486 CB HIS A 99 2.767 -18.302 -6.736 1.00 0.00 C ATOM 1487 CG HIS A 99 3.274 -17.002 -6.158 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.331 -16.939 -5.266 1.00 0.00 N ATOM 1489 CD2 HIS A 99 2.859 -15.717 -6.354 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.534 -15.670 -4.947 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.620 -14.914 -5.621 1.00 0.00 N ATOM 0 H HIS A 99 0.357 -20.117 -6.157 1.00 0.00 H new ATOM 0 HA HIS A 99 3.084 -19.768 -5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 99 3.578 -18.787 -7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.983 -18.084 -7.462 1.00 0.00 H new ATOM 0 HD1 HIS A 99 4.863 -17.735 -4.914 1.00 0.00 H new ATOM 0 HD2 HIS A 99 2.049 -15.406 -6.997 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.291 -15.299 -4.272 1.00 0.00 H new ATOM 1499 N ARG A 100 2.204 -18.228 -3.520 1.00 0.00 N ATOM 1500 CA ARG A 100 1.620 -17.551 -2.374 1.00 0.00 C ATOM 1501 C ARG A 100 2.309 -16.205 -2.145 1.00 0.00 C ATOM 1502 O ARG A 100 3.294 -16.125 -1.411 1.00 0.00 O ATOM 1503 CB ARG A 100 1.744 -18.402 -1.109 1.00 0.00 C ATOM 1504 CG ARG A 100 0.401 -18.505 -0.383 1.00 0.00 C ATOM 1505 CD ARG A 100 0.245 -17.381 0.643 1.00 0.00 C ATOM 1506 NE ARG A 100 0.542 -17.891 2.001 1.00 0.00 N ATOM 1507 CZ ARG A 100 0.664 -17.114 3.085 1.00 0.00 C ATOM 1508 NH1 ARG A 100 0.516 -15.786 2.978 1.00 0.00 N ATOM 1509 NH2 ARG A 100 0.934 -17.664 4.277 1.00 0.00 N ATOM 0 H ARG A 100 3.205 -18.408 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 100 0.563 -17.390 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.097 -19.399 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.488 -17.965 -0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.412 -18.457 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.327 -19.471 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.918 -16.559 0.399 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -0.769 -16.984 0.608 1.00 0.00 H new ATOM 0 HE ARG A 100 0.661 -18.897 2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.310 -15.367 2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.609 -15.194 3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.047 -18.674 4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.027 -17.072 5.102 1.00 0.00 H new ATOM 1523 N PRO A 101 1.751 -15.154 -2.802 1.00 0.00 N ATOM 1524 CA PRO A 101 2.302 -13.815 -2.677 1.00 0.00 C ATOM 1525 C PRO A 101 1.946 -13.200 -1.322 1.00 0.00 C ATOM 1526 O PRO A 101 1.020 -13.656 -0.654 1.00 0.00 O ATOM 1527 CB PRO A 101 1.724 -13.040 -3.850 1.00 0.00 C ATOM 1528 CG PRO A 101 0.515 -13.834 -4.319 1.00 0.00 C ATOM 1529 CD PRO A 101 0.586 -15.211 -3.679 1.00 0.00 C ATOM 0 HA PRO A 101 3.392 -13.805 -2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.437 -12.033 -3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.458 -12.937 -4.650 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.408 -13.328 -4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.511 -13.918 -5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.321 -15.434 -3.118 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.695 -15.992 -4.432 1.00 0.00 H new ATOM 1537 N HIS A 102 2.702 -12.175 -0.956 1.00 0.00 N ATOM 1538 CA HIS A 102 2.478 -11.494 0.307 1.00 0.00 C ATOM 1539 C HIS A 102 1.241 -10.601 0.197 1.00 0.00 C ATOM 1540 O HIS A 102 1.270 -9.573 -0.476 1.00 0.00 O ATOM 1541 CB HIS A 102 3.728 -10.723 0.738 1.00 0.00 C ATOM 1542 CG HIS A 102 4.987 -11.557 0.758 1.00 0.00 C ATOM 1543 ND1 HIS A 102 6.174 -11.396 0.105 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 5.112 -12.708 1.517 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 6.980 -12.393 0.447 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.323 -13.208 1.322 1.00 0.00 N flip ATOM 0 H HIS A 102 3.470 -11.800 -1.512 1.00 0.00 H new ATOM 0 HA HIS A 102 2.286 -12.228 1.090 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.873 -9.880 0.062 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.562 -10.309 1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.351 -13.127 2.159 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.990 -12.536 0.091 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.698 -14.054 1.751 1.00 0.00 H new ATOM 1554 N VAL A 103 0.181 -11.028 0.869 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.065 -10.281 0.855 1.00 0.00 C ATOM 1556 C VAL A 103 -1.104 -9.341 2.061 1.00 0.00 C ATOM 1557 O VAL A 103 -1.465 -9.754 3.163 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.252 -11.244 0.808 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.579 -10.482 0.842 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.174 -12.152 -0.420 1.00 0.00 C ATOM 0 H VAL A 103 0.160 -11.882 1.427 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.130 -9.663 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.205 -11.875 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.406 -11.191 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.640 -9.898 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.637 -9.814 -0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.030 -12.827 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.183 -11.543 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.253 -12.734 -0.384 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.728 -8.095 1.813 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.716 -7.093 2.866 1.00 0.00 C ATOM 1572 C VAL A 104 -1.481 -5.855 2.394 1.00 0.00 C ATOM 1573 O VAL A 104 -1.966 -5.813 1.264 1.00 0.00 O ATOM 1574 CB VAL A 104 0.725 -6.785 3.278 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.469 -8.063 3.669 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.465 -6.037 2.167 1.00 0.00 C ATOM 0 H VAL A 104 -0.429 -7.756 0.898 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.221 -7.467 3.756 1.00 0.00 H new ATOM 0 HB VAL A 104 0.692 -6.136 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.491 -7.815 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.960 -8.538 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.487 -8.747 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.487 -5.830 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.483 -6.649 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.953 -5.098 1.957 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.566 -4.876 3.283 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.263 -3.640 2.972 1.00 0.00 C ATOM 1588 C GLY A 105 -1.274 -2.515 2.665 1.00 0.00 C ATOM 1589 O GLY A 105 -0.138 -2.536 3.137 1.00 0.00 O ATOM 0 H GLY A 105 -1.163 -4.914 4.219 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.920 -3.795 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.895 -3.354 3.812 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.741 -1.558 1.877 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.912 -0.425 1.502 1.00 0.00 C ATOM 1595 C ALA A 106 -0.230 0.138 2.750 1.00 0.00 C ATOM 1596 O ALA A 106 0.803 0.799 2.653 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.768 0.619 0.783 1.00 0.00 C ATOM 0 H ALA A 106 -2.684 -1.544 1.488 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.129 -0.735 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.146 1.469 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.205 0.177 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.564 0.956 1.447 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.836 -0.144 3.894 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.300 0.326 5.160 1.00 0.00 C ATOM 1605 C LYS A 107 1.104 -0.247 5.360 1.00 0.00 C ATOM 1606 O LYS A 107 1.850 0.214 6.222 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.264 0.003 6.303 1.00 0.00 C ATOM 1608 CG LYS A 107 -1.106 1.000 7.453 1.00 0.00 C ATOM 1609 CD LYS A 107 -2.238 0.846 8.471 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.702 0.923 9.902 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.780 0.639 10.876 1.00 0.00 N ATOM 0 H LYS A 107 -1.693 -0.692 3.971 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.203 1.412 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.290 0.026 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -1.078 -1.008 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.146 0.844 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.101 2.017 7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.981 1.628 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.742 -0.108 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.890 0.208 10.031 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.287 1.914 10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.399 0.695 11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.543 1.337 10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.157 -0.316 10.708 1.00 0.00 H new ATOM 1625 N TRP A 108 1.422 -1.245 4.548 1.00 0.00 N ATOM 1626 CA TRP A 108 2.724 -1.886 4.624 1.00 0.00 C ATOM 1627 C TRP A 108 3.601 -1.308 3.512 1.00 0.00 C ATOM 1628 O TRP A 108 4.780 -1.644 3.409 1.00 0.00 O ATOM 1629 CB TRP A 108 2.590 -3.409 4.550 1.00 0.00 C ATOM 1630 CG TRP A 108 3.889 -4.130 4.184 1.00 0.00 C ATOM 1631 CD1 TRP A 108 4.774 -4.705 5.010 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.415 -4.333 2.856 1.00 0.00 C ATOM 1633 NE1 TRP A 108 5.828 -5.260 4.314 1.00 0.00 N ATOM 1634 CE2 TRP A 108 5.603 -5.027 2.963 1.00 0.00 C ATOM 1635 CE3 TRP A 108 3.905 -3.942 1.606 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.380 -5.391 1.856 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 4.693 -4.313 0.510 1.00 0.00 C ATOM 1638 CH2 TRP A 108 5.891 -5.012 0.600 1.00 0.00 C ATOM 0 H TRP A 108 0.800 -1.625 3.834 1.00 0.00 H new ATOM 0 HA TRP A 108 3.199 -1.682 5.583 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.239 -3.780 5.513 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.827 -3.661 3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 108 4.675 -4.731 6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 108 6.626 -5.751 4.717 1.00 0.00 H new ATOM 0 HE3 TRP A 108 2.978 -3.398 1.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.307 -5.935 1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.346 -4.037 -0.475 1.00 0.00 H new ATOM 0 HH2 TRP A 108 6.442 -5.262 -0.295 1.00 0.00 H new ATOM 1649 N LEU A 109 2.993 -0.450 2.707 1.00 0.00 N ATOM 1650 CA LEU A 109 3.704 0.178 1.606 1.00 0.00 C ATOM 1651 C LEU A 109 4.290 1.510 2.077 1.00 0.00 C ATOM 1652 O LEU A 109 5.460 1.799 1.832 1.00 0.00 O ATOM 1653 CB LEU A 109 2.794 0.304 0.383 1.00 0.00 C ATOM 1654 CG LEU A 109 3.448 0.857 -0.885 1.00 0.00 C ATOM 1655 CD1 LEU A 109 4.836 0.250 -1.095 1.00 0.00 C ATOM 1656 CD2 LEU A 109 2.543 0.653 -2.102 1.00 0.00 C ATOM 0 H LEU A 109 2.015 -0.174 2.795 1.00 0.00 H new ATOM 0 HA LEU A 109 4.541 -0.444 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.384 -0.680 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.954 0.947 0.645 1.00 0.00 H new ATOM 0 HG LEU A 109 3.582 1.931 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.279 0.660 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.471 0.489 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.749 -0.832 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.031 1.055 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.355 -0.412 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.597 1.170 -1.943 1.00 0.00 H new ATOM 1668 N LEU A 110 3.449 2.287 2.744 1.00 0.00 N ATOM 1669 CA LEU A 110 3.868 3.582 3.252 1.00 0.00 C ATOM 1670 C LEU A 110 5.048 3.393 4.207 1.00 0.00 C ATOM 1671 O LEU A 110 6.111 3.981 4.012 1.00 0.00 O ATOM 1672 CB LEU A 110 2.684 4.323 3.876 1.00 0.00 C ATOM 1673 CG LEU A 110 1.344 4.174 3.153 1.00 0.00 C ATOM 1674 CD1 LEU A 110 1.552 3.905 1.662 1.00 0.00 C ATOM 1675 CD2 LEU A 110 0.481 3.096 3.814 1.00 0.00 C ATOM 0 H LEU A 110 2.479 2.044 2.944 1.00 0.00 H new ATOM 0 HA LEU A 110 4.216 4.216 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.562 3.974 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.931 5.383 3.927 1.00 0.00 H new ATOM 0 HG LEU A 110 0.804 5.117 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.584 3.803 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.099 4.735 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.122 2.985 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.466 3.010 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.004 2.140 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.289 3.369 4.852 1.00 0.00 H new ATOM 1687 N GLU A 111 4.822 2.570 5.220 1.00 0.00 N ATOM 1688 CA GLU A 111 5.852 2.295 6.207 1.00 0.00 C ATOM 1689 C GLU A 111 7.177 1.970 5.514 1.00 0.00 C ATOM 1690 O GLU A 111 8.241 2.379 5.977 1.00 0.00 O ATOM 1691 CB GLU A 111 5.429 1.161 7.142 1.00 0.00 C ATOM 1692 CG GLU A 111 4.064 1.448 7.770 1.00 0.00 C ATOM 1693 CD GLU A 111 4.206 1.800 9.252 1.00 0.00 C ATOM 1694 OE1 GLU A 111 5.167 2.533 9.572 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.351 1.329 10.032 1.00 0.00 O ATOM 0 H GLU A 111 3.939 2.084 5.379 1.00 0.00 H new ATOM 0 HA GLU A 111 5.992 3.188 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.388 0.224 6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.175 1.035 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.582 2.271 7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.418 0.577 7.660 1.00 0.00 H new ATOM 1702 N CYS A 112 7.069 1.236 4.416 1.00 0.00 N ATOM 1703 CA CYS A 112 8.245 0.851 3.655 1.00 0.00 C ATOM 1704 C CYS A 112 8.923 2.123 3.141 1.00 0.00 C ATOM 1705 O CYS A 112 10.105 2.348 3.398 1.00 0.00 O ATOM 1706 CB CYS A 112 7.893 -0.107 2.515 1.00 0.00 C ATOM 1707 SG CYS A 112 7.480 -1.757 3.191 1.00 0.00 S ATOM 0 H CYS A 112 6.185 0.898 4.035 1.00 0.00 H new ATOM 0 HA CYS A 112 8.935 0.307 4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.049 0.284 1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.732 -0.187 1.824 1.00 0.00 H new ATOM 0 HG CYS A 112 6.188 -1.897 3.235 1.00 0.00 H new ATOM 1713 N PHE A 113 8.145 2.922 2.425 1.00 0.00 N ATOM 1714 CA PHE A 113 8.656 4.166 1.873 1.00 0.00 C ATOM 1715 C PHE A 113 8.918 5.190 2.980 1.00 0.00 C ATOM 1716 O PHE A 113 9.471 6.258 2.723 1.00 0.00 O ATOM 1717 CB PHE A 113 7.580 4.712 0.933 1.00 0.00 C ATOM 1718 CG PHE A 113 7.604 4.094 -0.466 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.587 4.432 -1.343 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.641 3.206 -0.833 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.609 3.857 -2.641 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.663 2.631 -2.132 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.647 2.969 -3.008 1.00 0.00 C ATOM 0 H PHE A 113 7.165 2.732 2.214 1.00 0.00 H new ATOM 0 HA PHE A 113 9.597 3.985 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.601 4.539 1.379 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.703 5.791 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.351 5.138 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.860 2.938 -0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.390 4.125 -3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 113 5.899 1.926 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.664 2.532 -3.995 1.00 0.00 H new ATOM 1733 N SER A 114 8.508 4.827 4.186 1.00 0.00 N ATOM 1734 CA SER A 114 8.691 5.701 5.333 1.00 0.00 C ATOM 1735 C SER A 114 9.947 5.294 6.106 1.00 0.00 C ATOM 1736 O SER A 114 10.753 6.144 6.480 1.00 0.00 O ATOM 1737 CB SER A 114 7.468 5.668 6.251 1.00 0.00 C ATOM 1738 OG SER A 114 7.532 6.673 7.261 1.00 0.00 O ATOM 0 H SER A 114 8.050 3.940 4.394 1.00 0.00 H new ATOM 0 HA SER A 114 8.811 6.722 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.565 5.808 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.393 4.687 6.720 1.00 0.00 H new ATOM 0 HG SER A 114 6.733 6.621 7.826 1.00 0.00 H new ATOM 1744 N LYS A 115 10.074 3.993 6.322 1.00 0.00 N ATOM 1745 CA LYS A 115 11.218 3.462 7.044 1.00 0.00 C ATOM 1746 C LYS A 115 12.453 3.513 6.143 1.00 0.00 C ATOM 1747 O LYS A 115 13.582 3.526 6.630 1.00 0.00 O ATOM 1748 CB LYS A 115 10.909 2.065 7.585 1.00 0.00 C ATOM 1749 CG LYS A 115 9.509 2.012 8.202 1.00 0.00 C ATOM 1750 CD LYS A 115 9.582 1.733 9.704 1.00 0.00 C ATOM 1751 CE LYS A 115 8.550 0.682 10.117 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.253 0.787 11.563 1.00 0.00 N ATOM 0 H LYS A 115 9.403 3.291 6.010 1.00 0.00 H new ATOM 0 HA LYS A 115 11.435 4.076 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.983 1.335 6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.651 1.789 8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.995 2.958 8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.921 1.236 7.712 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.582 1.388 9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.408 2.656 10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.634 0.817 9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.926 -0.315 9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.551 0.066 11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.125 0.636 12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 7.874 1.733 11.772 1.00 0.00 H new ATOM 1766 N GLY A 116 12.196 3.541 4.843 1.00 0.00 N ATOM 1767 CA GLY A 116 13.273 3.590 3.869 1.00 0.00 C ATOM 1768 C GLY A 116 13.578 2.196 3.317 1.00 0.00 C ATOM 1769 O GLY A 116 14.284 2.060 2.319 1.00 0.00 O ATOM 0 H GLY A 116 11.258 3.531 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.998 4.257 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.168 4.005 4.332 1.00 0.00 H new ATOM 1773 N TYR A 117 13.031 1.195 3.992 1.00 0.00 N ATOM 1774 CA TYR A 117 13.236 -0.184 3.582 1.00 0.00 C ATOM 1775 C TYR A 117 11.959 -1.006 3.767 1.00 0.00 C ATOM 1776 O TYR A 117 11.026 -0.568 4.438 1.00 0.00 O ATOM 1777 CB TYR A 117 14.324 -0.740 4.503 1.00 0.00 C ATOM 1778 CG TYR A 117 14.100 -0.437 5.985 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.009 -0.969 6.641 1.00 0.00 C ATOM 1780 CD2 TYR A 117 14.989 0.369 6.667 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.798 -0.683 8.037 1.00 0.00 C ATOM 1782 CE2 TYR A 117 14.778 0.655 8.062 1.00 0.00 C ATOM 1783 CZ TYR A 117 13.693 0.115 8.678 1.00 0.00 C ATOM 1784 OH TYR A 117 13.493 0.384 9.997 1.00 0.00 O ATOM 0 H TYR A 117 12.446 1.312 4.820 1.00 0.00 H new ATOM 0 HA TYR A 117 13.513 -0.235 2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.382 -1.820 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 117 15.287 -0.329 4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 117 12.313 -1.600 6.108 1.00 0.00 H new ATOM 0 HD2 TYR A 117 15.843 0.785 6.154 1.00 0.00 H new ATOM 0 HE1 TYR A 117 11.948 -1.093 8.562 1.00 0.00 H new ATOM 0 HE2 TYR A 117 15.466 1.284 8.607 1.00 0.00 H new ATOM 0 HH TYR A 117 14.211 0.965 10.325 1.00 0.00 H new ATOM 1794 N MET A 118 11.958 -2.183 3.158 1.00 0.00 N ATOM 1795 CA MET A 118 10.811 -3.071 3.247 1.00 0.00 C ATOM 1796 C MET A 118 10.658 -3.628 4.664 1.00 0.00 C ATOM 1797 O MET A 118 11.648 -3.836 5.363 1.00 0.00 O ATOM 1798 CB MET A 118 10.982 -4.226 2.259 1.00 0.00 C ATOM 1799 CG MET A 118 10.676 -3.775 0.830 1.00 0.00 C ATOM 1800 SD MET A 118 10.854 -5.149 -0.296 1.00 0.00 S ATOM 1801 CE MET A 118 9.172 -5.292 -0.877 1.00 0.00 C ATOM 0 H MET A 118 12.733 -2.542 2.601 1.00 0.00 H new ATOM 0 HA MET A 118 9.914 -2.502 3.002 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.002 -4.608 2.313 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.319 -5.046 2.535 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.662 -3.378 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.351 -2.969 0.542 1.00 0.00 H new ATOM 0 HE1 MET A 118 9.173 -5.522 -1.942 1.00 0.00 H new ATOM 0 HE2 MET A 118 8.666 -6.090 -0.334 1.00 0.00 H new ATOM 0 HE3 MET A 118 8.648 -4.351 -0.710 1.00 0.00 H new ATOM 1811 N LEU A 119 9.409 -3.854 5.044 1.00 0.00 N ATOM 1812 CA LEU A 119 9.113 -4.383 6.365 1.00 0.00 C ATOM 1813 C LEU A 119 8.425 -5.742 6.222 1.00 0.00 C ATOM 1814 O LEU A 119 8.168 -6.198 5.109 1.00 0.00 O ATOM 1815 CB LEU A 119 8.308 -3.369 7.180 1.00 0.00 C ATOM 1816 CG LEU A 119 8.563 -1.895 6.859 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.453 -1.010 7.428 1.00 0.00 C ATOM 1818 CD2 LEU A 119 9.948 -1.461 7.342 1.00 0.00 C ATOM 0 H LEU A 119 8.590 -3.681 4.461 1.00 0.00 H new ATOM 0 HA LEU A 119 10.034 -4.548 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.248 -3.574 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.520 -3.532 8.237 1.00 0.00 H new ATOM 0 HG LEU A 119 8.547 -1.773 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.659 0.033 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.497 -1.302 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.411 -1.129 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.104 -0.409 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.017 -1.601 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.711 -2.063 6.848 1.00 0.00 H new ATOM 1830 N SER A 120 8.148 -6.352 7.365 1.00 0.00 N ATOM 1831 CA SER A 120 7.496 -7.651 7.382 1.00 0.00 C ATOM 1832 C SER A 120 6.065 -7.524 6.855 1.00 0.00 C ATOM 1833 O SER A 120 5.392 -6.526 7.110 1.00 0.00 O ATOM 1834 CB SER A 120 7.492 -8.247 8.791 1.00 0.00 C ATOM 1835 OG SER A 120 8.809 -8.537 9.251 1.00 0.00 O ATOM 0 H SER A 120 8.363 -5.971 8.286 1.00 0.00 H new ATOM 0 HA SER A 120 8.057 -8.324 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.013 -7.550 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.897 -9.160 8.797 1.00 0.00 H new ATOM 0 HG SER A 120 8.764 -8.914 10.154 1.00 0.00 H new ATOM 1841 N GLU A 121 5.642 -8.549 6.130 1.00 0.00 N ATOM 1842 CA GLU A 121 4.303 -8.565 5.566 1.00 0.00 C ATOM 1843 C GLU A 121 3.350 -9.333 6.483 1.00 0.00 C ATOM 1844 O GLU A 121 2.138 -9.322 6.274 1.00 0.00 O ATOM 1845 CB GLU A 121 4.309 -9.162 4.157 1.00 0.00 C ATOM 1846 CG GLU A 121 4.733 -8.119 3.121 1.00 0.00 C ATOM 1847 CD GLU A 121 6.221 -8.250 2.787 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.529 -9.049 1.876 1.00 0.00 O ATOM 1849 OE2 GLU A 121 7.015 -7.550 3.450 1.00 0.00 O ATOM 0 H GLU A 121 6.203 -9.375 5.920 1.00 0.00 H new ATOM 0 HA GLU A 121 3.950 -7.537 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.990 -10.013 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.315 -9.539 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.141 -8.241 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.529 -7.119 3.503 1.00 0.00 H new ATOM 1856 N GLU A 122 3.933 -9.983 7.479 1.00 0.00 N ATOM 1857 CA GLU A 122 3.150 -10.755 8.429 1.00 0.00 C ATOM 1858 C GLU A 122 2.367 -9.822 9.354 1.00 0.00 C ATOM 1859 O GLU A 122 1.193 -10.062 9.635 1.00 0.00 O ATOM 1860 CB GLU A 122 4.043 -11.702 9.234 1.00 0.00 C ATOM 1861 CG GLU A 122 4.621 -12.802 8.341 1.00 0.00 C ATOM 1862 CD GLU A 122 5.531 -13.736 9.141 1.00 0.00 C ATOM 1863 OE1 GLU A 122 4.978 -14.660 9.776 1.00 0.00 O ATOM 1864 OE2 GLU A 122 6.759 -13.506 9.099 1.00 0.00 O ATOM 0 H GLU A 122 4.939 -9.991 7.649 1.00 0.00 H new ATOM 0 HA GLU A 122 2.438 -11.365 7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 122 4.855 -11.139 9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.467 -12.151 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.810 -13.375 7.893 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.184 -12.353 7.523 1.00 0.00 H new ATOM 1871 N PRO A 123 3.065 -8.749 9.814 1.00 0.00 N ATOM 1872 CA PRO A 123 2.447 -7.779 10.702 1.00 0.00 C ATOM 1873 C PRO A 123 1.486 -6.868 9.935 1.00 0.00 C ATOM 1874 O PRO A 123 0.911 -5.944 10.508 1.00 0.00 O ATOM 1875 CB PRO A 123 3.608 -7.024 11.329 1.00 0.00 C ATOM 1876 CG PRO A 123 4.806 -7.280 10.428 1.00 0.00 C ATOM 1877 CD PRO A 123 4.456 -8.433 9.503 1.00 0.00 C ATOM 0 HA PRO A 123 1.831 -8.245 11.471 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.390 -5.958 11.396 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.800 -7.374 12.343 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.047 -6.387 9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.686 -7.522 11.023 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.574 -8.151 8.457 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.105 -9.291 9.677 1.00 0.00 H new ATOM 1885 N TYR A 124 1.342 -7.161 8.651 1.00 0.00 N ATOM 1886 CA TYR A 124 0.461 -6.380 7.800 1.00 0.00 C ATOM 1887 C TYR A 124 -0.330 -7.285 6.853 1.00 0.00 C ATOM 1888 O TYR A 124 -0.533 -6.945 5.688 1.00 0.00 O ATOM 1889 CB TYR A 124 1.371 -5.469 6.974 1.00 0.00 C ATOM 1890 CG TYR A 124 1.981 -4.313 7.769 1.00 0.00 C ATOM 1891 CD1 TYR A 124 3.173 -4.492 8.442 1.00 0.00 C ATOM 1892 CD2 TYR A 124 1.340 -3.091 7.813 1.00 0.00 C ATOM 1893 CE1 TYR A 124 3.747 -3.404 9.191 1.00 0.00 C ATOM 1894 CE2 TYR A 124 1.915 -2.004 8.562 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.090 -2.214 9.213 1.00 0.00 C ATOM 1896 OH TYR A 124 3.633 -1.186 9.920 1.00 0.00 O ATOM 0 H TYR A 124 1.821 -7.928 8.179 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.256 -5.821 8.401 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.176 -6.067 6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.800 -5.061 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 124 3.675 -5.448 8.407 1.00 0.00 H new ATOM 0 HD2 TYR A 124 0.408 -2.950 7.286 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.678 -3.531 9.723 1.00 0.00 H new ATOM 0 HE2 TYR A 124 1.424 -1.043 8.606 1.00 0.00 H new ATOM 0 HH TYR A 124 3.018 -0.423 9.912 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.756 -8.420 7.388 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.521 -9.376 6.605 1.00 0.00 C ATOM 1908 C ILE A 125 -2.993 -8.960 6.596 1.00 0.00 C ATOM 1909 O ILE A 125 -3.482 -8.375 7.561 1.00 0.00 O ATOM 1910 CB ILE A 125 -1.286 -10.798 7.119 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.201 -11.157 7.079 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -2.140 -11.807 6.348 1.00 0.00 C ATOM 1913 CD1 ILE A 125 0.677 -11.365 5.640 1.00 0.00 C ATOM 0 H ILE A 125 -0.586 -8.699 8.354 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.184 -9.377 5.568 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.599 -10.841 8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 125 0.783 -10.363 7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.375 -12.064 7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.954 -12.810 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.195 -11.561 6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.880 -11.770 5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.737 -11.619 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.110 -12.176 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.524 -10.449 5.070 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.658 -9.278 5.495 1.00 0.00 N ATOM 1926 CA HIS A 126 -5.065 -8.945 5.348 1.00 0.00 C ATOM 1927 C HIS A 126 -5.892 -10.230 5.283 1.00 0.00 C ATOM 1928 O HIS A 126 -5.872 -10.935 4.275 1.00 0.00 O ATOM 1929 CB HIS A 126 -5.284 -8.037 4.137 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.636 -7.364 4.110 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -6.899 -6.182 4.779 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -7.796 -7.721 3.488 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -8.163 -5.851 4.563 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.718 -6.806 3.763 1.00 0.00 N ATOM 0 H HIS A 126 -3.249 -9.763 4.696 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.402 -8.381 6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.508 -7.271 4.125 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.165 -8.626 3.228 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -7.940 -8.599 2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -8.666 -4.978 4.952 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -9.682 -6.816 3.431 1.00 0.00 H new ATOM 1942 N SER A 127 -6.601 -10.496 6.371 1.00 0.00 N ATOM 1943 CA SER A 127 -7.434 -11.683 6.450 1.00 0.00 C ATOM 1944 C SER A 127 -8.912 -11.290 6.403 1.00 0.00 C ATOM 1945 O SER A 127 -9.245 -10.108 6.463 1.00 0.00 O ATOM 1946 CB SER A 127 -7.137 -12.481 7.721 1.00 0.00 C ATOM 1947 OG SER A 127 -7.321 -11.698 8.898 1.00 0.00 O ATOM 0 H SER A 127 -6.615 -9.909 7.205 1.00 0.00 H new ATOM 0 HA SER A 127 -7.206 -12.318 5.594 1.00 0.00 H new ATOM 0 HB2 SER A 127 -7.788 -13.354 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 127 -6.112 -12.849 7.687 1.00 0.00 H new ATOM 0 HG SER A 127 -7.123 -12.243 9.688 1.00 0.00 H new