USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=21 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 -80:sc= 0.941 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -4.98! C(o=-4!,f=-17!) USER MOD Set 1.3: A 102 HIS :FLIP no HD1:sc= 0 F(o=-5.8,f=-4) USER MOD Set 2.1: A 73 GLN : amide:sc= -0.405 K(o=-5.7,f=-8.1!) USER MOD Set 2.2: A 75 ASN : amide:sc= -5.27! C(o=-5.7!,f=-6.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0343 X(o=-0.034,f=-0.13) USER MOD Single : A 28 ASN : amide:sc= -0.276 K(o=-0.28,f=-2.1!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 44 CYS SG : rot 40:sc= 1.13 USER MOD Single : A 47 TYR OH : rot 163:sc= -2.55! USER MOD Single : A 49 CYS SG : rot -13:sc= -9.87! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -105:sc= 0.867 (180deg=-0.601) USER MOD Single : A 64 ASN : amide:sc=-0.00267 X(o=-0.0027,f=-0.039) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.297 K(o=-0.3,f=-2!) 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= -0.281 K(o=-0.28,f=-2.3!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -0.105 K(o=-0.11,f=-0.64) USER MOD Single : A 107 LYS NZ :NH3+ -160:sc=-0.00936 (180deg=-0.393) USER MOD Single : A 112 CYS SG : rot -162:sc= -6.11! 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= -0.145 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -160:sc= -1.98 USER MOD Single : A 124 TYR OH : rot -166:sc= 1.2 USER MOD Single : A 126 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 258 N PRO A 21 0.763 8.594 6.684 1.00 0.00 N ATOM 259 CA PRO A 21 0.849 7.552 5.675 1.00 0.00 C ATOM 260 C PRO A 21 0.126 6.284 6.133 1.00 0.00 C ATOM 261 O PRO A 21 0.746 5.235 6.294 1.00 0.00 O ATOM 262 CB PRO A 21 2.338 7.339 5.455 1.00 0.00 C ATOM 263 CG PRO A 21 3.028 7.932 6.673 1.00 0.00 C ATOM 264 CD PRO A 21 2.012 8.784 7.416 1.00 0.00 C ATOM 0 HA PRO A 21 0.357 7.829 4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.570 6.279 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.672 7.829 4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.408 7.141 7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.884 8.535 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.914 8.468 8.455 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.308 9.833 7.428 1.00 0.00 H new ATOM 272 N THR A 22 -1.177 6.423 6.329 1.00 0.00 N ATOM 273 CA THR A 22 -1.992 5.302 6.765 1.00 0.00 C ATOM 274 C THR A 22 -3.036 4.956 5.702 1.00 0.00 C ATOM 275 O THR A 22 -3.448 5.818 4.927 1.00 0.00 O ATOM 276 CB THR A 22 -2.602 5.660 8.122 1.00 0.00 C ATOM 277 OG1 THR A 22 -3.333 6.857 7.869 1.00 0.00 O ATOM 278 CG2 THR A 22 -1.546 6.078 9.147 1.00 0.00 C ATOM 0 H THR A 22 -1.688 7.295 6.194 1.00 0.00 H new ATOM 0 HA THR A 22 -1.391 4.401 6.890 1.00 0.00 H new ATOM 0 HB THR A 22 -3.161 4.806 8.505 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.763 7.159 8.696 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.032 6.321 10.092 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.844 5.259 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.009 6.952 8.780 1.00 0.00 H new ATOM 286 N LEU A 23 -3.435 3.692 5.699 1.00 0.00 N ATOM 287 CA LEU A 23 -4.424 3.222 4.744 1.00 0.00 C ATOM 288 C LEU A 23 -5.550 4.252 4.632 1.00 0.00 C ATOM 289 O LEU A 23 -5.815 4.772 3.549 1.00 0.00 O ATOM 290 CB LEU A 23 -4.908 1.820 5.120 1.00 0.00 C ATOM 291 CG LEU A 23 -5.289 0.907 3.954 1.00 0.00 C ATOM 292 CD1 LEU A 23 -6.125 1.661 2.917 1.00 0.00 C ATOM 293 CD2 LEU A 23 -4.048 0.264 3.332 1.00 0.00 C ATOM 0 H LEU A 23 -3.091 2.979 6.343 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.980 3.126 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.125 1.330 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.773 1.920 5.775 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.909 0.099 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.382 0.989 2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.038 2.030 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.551 2.502 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.348 -0.380 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.381 1.043 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.530 -0.330 4.085 1.00 0.00 H new ATOM 305 N GLU A 24 -6.182 4.515 5.766 1.00 0.00 N ATOM 306 CA GLU A 24 -7.273 5.474 5.809 1.00 0.00 C ATOM 307 C GLU A 24 -6.883 6.756 5.071 1.00 0.00 C ATOM 308 O GLU A 24 -7.396 7.033 3.988 1.00 0.00 O ATOM 309 CB GLU A 24 -7.682 5.775 7.253 1.00 0.00 C ATOM 310 CG GLU A 24 -8.781 4.820 7.722 1.00 0.00 C ATOM 311 CD GLU A 24 -10.014 5.593 8.195 1.00 0.00 C ATOM 312 OE1 GLU A 24 -9.863 6.360 9.170 1.00 0.00 O ATOM 313 OE2 GLU A 24 -11.079 5.400 7.569 1.00 0.00 O ATOM 0 H GLU A 24 -5.960 4.081 6.662 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.135 5.037 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.814 5.686 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.033 6.804 7.328 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.058 4.150 6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.405 4.197 8.533 1.00 0.00 H new ATOM 320 N ASN A 25 -5.979 7.504 5.686 1.00 0.00 N ATOM 321 CA ASN A 25 -5.514 8.750 5.101 1.00 0.00 C ATOM 322 C ASN A 25 -4.538 8.441 3.964 1.00 0.00 C ATOM 323 O ASN A 25 -3.392 8.887 3.987 1.00 0.00 O ATOM 324 CB ASN A 25 -4.780 9.605 6.136 1.00 0.00 C ATOM 325 CG ASN A 25 -5.561 9.665 7.450 1.00 0.00 C ATOM 326 OD1 ASN A 25 -6.778 9.753 7.476 1.00 0.00 O ATOM 327 ND2 ASN A 25 -4.796 9.614 8.537 1.00 0.00 N ATOM 0 H ASN A 25 -5.556 7.271 6.584 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.383 9.296 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.788 9.191 6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.639 10.613 5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.223 9.648 9.463 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.783 9.540 8.445 1.00 0.00 H new ATOM 334 N LEU A 26 -5.027 7.680 2.997 1.00 0.00 N ATOM 335 CA LEU A 26 -4.212 7.307 1.853 1.00 0.00 C ATOM 336 C LEU A 26 -4.501 8.260 0.693 1.00 0.00 C ATOM 337 O LEU A 26 -3.643 8.485 -0.160 1.00 0.00 O ATOM 338 CB LEU A 26 -4.422 5.832 1.504 1.00 0.00 C ATOM 339 CG LEU A 26 -3.836 5.368 0.169 1.00 0.00 C ATOM 340 CD1 LEU A 26 -2.346 5.704 0.079 1.00 0.00 C ATOM 341 CD2 LEU A 26 -4.103 3.879 -0.060 1.00 0.00 C ATOM 0 H LEU A 26 -5.978 7.311 2.982 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.153 7.407 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.988 5.226 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.493 5.630 1.498 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.338 5.911 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.954 5.364 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.210 6.782 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.811 5.206 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.676 3.576 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.646 3.300 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.178 3.699 -0.070 1.00 0.00 H new ATOM 353 N GLU A 27 -5.714 8.795 0.697 1.00 0.00 N ATOM 354 CA GLU A 27 -6.127 9.719 -0.346 1.00 0.00 C ATOM 355 C GLU A 27 -5.391 11.052 -0.195 1.00 0.00 C ATOM 356 O GLU A 27 -4.935 11.629 -1.182 1.00 0.00 O ATOM 357 CB GLU A 27 -7.643 9.925 -0.326 1.00 0.00 C ATOM 358 CG GLU A 27 -8.369 8.710 -0.907 1.00 0.00 C ATOM 359 CD GLU A 27 -9.798 9.069 -1.318 1.00 0.00 C ATOM 360 OE1 GLU A 27 -10.403 9.896 -0.603 1.00 0.00 O ATOM 361 OE2 GLU A 27 -10.253 8.509 -2.339 1.00 0.00 O ATOM 0 H GLU A 27 -6.423 8.606 1.405 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.864 9.288 -1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.977 10.098 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.900 10.815 -0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.822 8.334 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.390 7.908 -0.170 1.00 0.00 H new ATOM 368 N ASN A 28 -5.298 11.504 1.047 1.00 0.00 N ATOM 369 CA ASN A 28 -4.626 12.758 1.339 1.00 0.00 C ATOM 370 C ASN A 28 -3.181 12.473 1.754 1.00 0.00 C ATOM 371 O ASN A 28 -2.636 13.150 2.624 1.00 0.00 O ATOM 372 CB ASN A 28 -5.311 13.496 2.491 1.00 0.00 C ATOM 373 CG ASN A 28 -5.478 14.982 2.168 1.00 0.00 C ATOM 374 OD1 ASN A 28 -4.943 15.498 1.201 1.00 0.00 O ATOM 375 ND2 ASN A 28 -6.247 15.640 3.031 1.00 0.00 N ATOM 0 H ASN A 28 -5.677 11.024 1.863 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.663 13.376 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.287 13.050 2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.723 13.382 3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.419 16.637 2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.665 15.147 3.820 1.00 0.00 H new ATOM 382 N LEU A 29 -2.602 11.469 1.111 1.00 0.00 N ATOM 383 CA LEU A 29 -1.231 11.085 1.403 1.00 0.00 C ATOM 384 C LEU A 29 -0.286 11.828 0.455 1.00 0.00 C ATOM 385 O LEU A 29 -0.702 12.288 -0.607 1.00 0.00 O ATOM 386 CB LEU A 29 -1.079 9.564 1.355 1.00 0.00 C ATOM 387 CG LEU A 29 0.346 9.038 1.168 1.00 0.00 C ATOM 388 CD1 LEU A 29 1.141 9.134 2.471 1.00 0.00 C ATOM 389 CD2 LEU A 29 0.335 7.615 0.606 1.00 0.00 C ATOM 0 H LEU A 29 -3.057 10.910 0.389 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.961 11.377 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.480 9.149 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.696 9.183 0.541 1.00 0.00 H new ATOM 0 HG LEU A 29 0.850 9.669 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.150 8.754 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.192 10.175 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.648 8.542 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.360 7.265 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.193 6.956 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.169 7.609 -0.360 1.00 0.00 H new ATOM 401 N ASP A 30 0.967 11.921 0.875 1.00 0.00 N ATOM 402 CA ASP A 30 1.974 12.600 0.077 1.00 0.00 C ATOM 403 C ASP A 30 3.098 11.618 -0.261 1.00 0.00 C ATOM 404 O ASP A 30 4.113 11.568 0.432 1.00 0.00 O ATOM 405 CB ASP A 30 2.587 13.773 0.845 1.00 0.00 C ATOM 406 CG ASP A 30 3.839 14.379 0.209 1.00 0.00 C ATOM 407 OD1 ASP A 30 4.171 13.946 -0.916 1.00 0.00 O ATOM 408 OD2 ASP A 30 4.436 15.262 0.861 1.00 0.00 O ATOM 0 H ASP A 30 1.308 11.538 1.757 1.00 0.00 H new ATOM 0 HA ASP A 30 1.493 12.973 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.834 14.555 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.835 13.438 1.852 1.00 0.00 H new ATOM 413 N VAL A 31 2.878 10.861 -1.327 1.00 0.00 N ATOM 414 CA VAL A 31 3.859 9.884 -1.765 1.00 0.00 C ATOM 415 C VAL A 31 5.215 10.571 -1.940 1.00 0.00 C ATOM 416 O VAL A 31 6.257 9.920 -1.882 1.00 0.00 O ATOM 417 CB VAL A 31 3.373 9.189 -3.039 1.00 0.00 C ATOM 418 CG1 VAL A 31 3.114 10.206 -4.153 1.00 0.00 C ATOM 419 CG2 VAL A 31 4.367 8.119 -3.494 1.00 0.00 C ATOM 0 H VAL A 31 2.035 10.905 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 31 3.984 9.105 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 31 2.429 8.693 -2.811 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.770 9.686 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.352 10.915 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.036 10.742 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.997 7.641 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.333 8.582 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.480 7.371 -2.710 1.00 0.00 H new ATOM 429 N SER A 32 5.158 11.878 -2.150 1.00 0.00 N ATOM 430 CA SER A 32 6.368 12.661 -2.333 1.00 0.00 C ATOM 431 C SER A 32 7.076 12.852 -0.990 1.00 0.00 C ATOM 432 O SER A 32 8.270 13.144 -0.950 1.00 0.00 O ATOM 433 CB SER A 32 6.056 14.018 -2.966 1.00 0.00 C ATOM 434 OG SER A 32 6.646 14.154 -4.256 1.00 0.00 O ATOM 0 H SER A 32 4.292 12.415 -2.197 1.00 0.00 H new ATOM 0 HA SER A 32 7.027 12.118 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.976 14.141 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.419 14.814 -2.316 1.00 0.00 H new ATOM 0 HG SER A 32 6.422 15.033 -4.627 1.00 0.00 H new ATOM 440 N ALA A 33 6.310 12.678 0.077 1.00 0.00 N ATOM 441 CA ALA A 33 6.848 12.828 1.418 1.00 0.00 C ATOM 442 C ALA A 33 7.892 11.737 1.668 1.00 0.00 C ATOM 443 O ALA A 33 8.993 12.022 2.136 1.00 0.00 O ATOM 444 CB ALA A 33 5.706 12.786 2.435 1.00 0.00 C ATOM 0 H ALA A 33 5.320 12.434 0.040 1.00 0.00 H new ATOM 0 HA ALA A 33 7.345 13.792 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.110 12.899 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.008 13.598 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.185 11.832 2.358 1.00 0.00 H new ATOM 450 N PHE A 34 7.509 10.511 1.345 1.00 0.00 N ATOM 451 CA PHE A 34 8.398 9.376 1.529 1.00 0.00 C ATOM 452 C PHE A 34 9.803 9.691 1.013 1.00 0.00 C ATOM 453 O PHE A 34 9.985 9.973 -0.170 1.00 0.00 O ATOM 454 CB PHE A 34 7.817 8.217 0.716 1.00 0.00 C ATOM 455 CG PHE A 34 6.427 7.772 1.173 1.00 0.00 C ATOM 456 CD1 PHE A 34 6.219 7.412 2.468 1.00 0.00 C ATOM 457 CD2 PHE A 34 5.398 7.735 0.283 1.00 0.00 C ATOM 458 CE1 PHE A 34 4.928 6.999 2.892 1.00 0.00 C ATOM 459 CE2 PHE A 34 4.107 7.322 0.707 1.00 0.00 C ATOM 460 CZ PHE A 34 3.900 6.962 2.002 1.00 0.00 C ATOM 0 H PHE A 34 6.595 10.278 0.957 1.00 0.00 H new ATOM 0 HA PHE A 34 8.475 9.132 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.767 8.511 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.497 7.367 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.036 7.440 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.563 8.020 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.763 6.714 3.921 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.290 7.294 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.919 6.646 2.324 1.00 0.00 H new ATOM 470 N GLN A 35 10.761 9.634 1.927 1.00 0.00 N ATOM 471 CA GLN A 35 12.144 9.910 1.579 1.00 0.00 C ATOM 472 C GLN A 35 12.853 8.621 1.159 1.00 0.00 C ATOM 473 O GLN A 35 14.032 8.642 0.808 1.00 0.00 O ATOM 474 CB GLN A 35 12.877 10.585 2.740 1.00 0.00 C ATOM 475 CG GLN A 35 14.384 10.333 2.659 1.00 0.00 C ATOM 476 CD GLN A 35 15.141 11.204 3.663 1.00 0.00 C ATOM 477 OE1 GLN A 35 14.965 11.105 4.867 1.00 0.00 O ATOM 478 NE2 GLN A 35 15.991 12.061 3.104 1.00 0.00 N ATOM 0 H GLN A 35 10.606 9.401 2.908 1.00 0.00 H new ATOM 0 HA GLN A 35 12.155 10.600 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.683 11.657 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.492 10.206 3.687 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.591 9.281 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 35 14.738 10.544 1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 35 16.090 12.092 2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.544 12.687 3.690 1.00 0.00 H new ATOM 487 N ALA A 36 12.105 7.528 1.208 1.00 0.00 N ATOM 488 CA ALA A 36 12.647 6.232 0.837 1.00 0.00 C ATOM 489 C ALA A 36 13.454 6.373 -0.455 1.00 0.00 C ATOM 490 O ALA A 36 13.393 7.406 -1.120 1.00 0.00 O ATOM 491 CB ALA A 36 11.507 5.221 0.705 1.00 0.00 C ATOM 0 H ALA A 36 11.128 7.514 1.499 1.00 0.00 H new ATOM 0 HA ALA A 36 13.322 5.863 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.913 4.249 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.984 5.136 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.810 5.556 -0.063 1.00 0.00 H new ATOM 497 N PRO A 37 14.212 5.292 -0.780 1.00 0.00 N ATOM 498 CA PRO A 37 15.030 5.285 -1.981 1.00 0.00 C ATOM 499 C PRO A 37 14.168 5.100 -3.231 1.00 0.00 C ATOM 500 O PRO A 37 13.040 4.615 -3.146 1.00 0.00 O ATOM 501 CB PRO A 37 16.024 4.154 -1.773 1.00 0.00 C ATOM 502 CG PRO A 37 15.434 3.276 -0.682 1.00 0.00 C ATOM 503 CD PRO A 37 14.309 4.051 -0.017 1.00 0.00 C ATOM 0 HA PRO A 37 15.549 6.230 -2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.170 3.588 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.000 4.541 -1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.058 2.344 -1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.198 3.010 0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.373 3.494 -0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.530 4.247 1.032 1.00 0.00 H new ATOM 511 N GLU A 38 14.730 5.497 -4.363 1.00 0.00 N ATOM 512 CA GLU A 38 14.027 5.381 -5.629 1.00 0.00 C ATOM 513 C GLU A 38 14.035 3.929 -6.110 1.00 0.00 C ATOM 514 O GLU A 38 13.437 3.608 -7.137 1.00 0.00 O ATOM 515 CB GLU A 38 14.635 6.311 -6.681 1.00 0.00 C ATOM 516 CG GLU A 38 14.239 7.766 -6.423 1.00 0.00 C ATOM 517 CD GLU A 38 14.474 8.627 -7.665 1.00 0.00 C ATOM 518 OE1 GLU A 38 13.841 8.319 -8.698 1.00 0.00 O ATOM 519 OE2 GLU A 38 15.283 9.574 -7.555 1.00 0.00 O ATOM 0 H GLU A 38 15.665 5.900 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 38 12.992 5.686 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.721 6.219 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.301 6.010 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.189 7.815 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.817 8.161 -5.588 1.00 0.00 H new ATOM 526 N ASP A 39 14.718 3.090 -5.346 1.00 0.00 N ATOM 527 CA ASP A 39 14.812 1.679 -5.681 1.00 0.00 C ATOM 528 C ASP A 39 14.312 0.844 -4.501 1.00 0.00 C ATOM 529 O ASP A 39 14.649 -0.333 -4.381 1.00 0.00 O ATOM 530 CB ASP A 39 16.260 1.276 -5.967 1.00 0.00 C ATOM 531 CG ASP A 39 17.154 2.402 -6.488 1.00 0.00 C ATOM 532 OD1 ASP A 39 17.290 3.405 -5.754 1.00 0.00 O ATOM 533 OD2 ASP A 39 17.682 2.235 -7.608 1.00 0.00 O ATOM 0 H ASP A 39 15.212 3.360 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 39 14.207 1.503 -6.570 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.698 0.879 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.258 0.467 -6.697 1.00 0.00 H new ATOM 538 N LEU A 40 13.517 1.487 -3.657 1.00 0.00 N ATOM 539 CA LEU A 40 12.968 0.818 -2.490 1.00 0.00 C ATOM 540 C LEU A 40 12.550 -0.603 -2.871 1.00 0.00 C ATOM 541 O LEU A 40 13.044 -1.574 -2.300 1.00 0.00 O ATOM 542 CB LEU A 40 11.838 1.649 -1.879 1.00 0.00 C ATOM 543 CG LEU A 40 11.200 1.082 -0.609 1.00 0.00 C ATOM 544 CD1 LEU A 40 12.245 0.896 0.493 1.00 0.00 C ATOM 545 CD2 LEU A 40 10.030 1.953 -0.148 1.00 0.00 C ATOM 0 H LEU A 40 13.240 2.464 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 40 13.725 0.729 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 40 12.225 2.643 -1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.058 1.773 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 40 10.796 0.096 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.766 0.492 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.016 0.205 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 40 12.699 1.858 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.594 1.528 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.387 2.961 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.274 1.991 -0.932 1.00 0.00 H new ATOM 557 N LEU A 41 11.643 -0.681 -3.835 1.00 0.00 N ATOM 558 CA LEU A 41 11.153 -1.967 -4.299 1.00 0.00 C ATOM 559 C LEU A 41 11.827 -2.316 -5.628 1.00 0.00 C ATOM 560 O LEU A 41 11.150 -2.587 -6.619 1.00 0.00 O ATOM 561 CB LEU A 41 9.625 -1.965 -4.367 1.00 0.00 C ATOM 562 CG LEU A 41 8.908 -1.115 -3.316 1.00 0.00 C ATOM 563 CD1 LEU A 41 7.797 -0.277 -3.953 1.00 0.00 C ATOM 564 CD2 LEU A 41 8.385 -1.985 -2.171 1.00 0.00 C ATOM 0 H LEU A 41 11.235 0.126 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 41 11.417 -2.753 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.326 -1.615 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.276 -2.993 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 41 9.630 -0.420 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.303 0.318 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.226 0.386 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.069 -0.937 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.880 -1.356 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.683 -2.720 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.220 -2.499 -1.694 1.00 0.00 H new ATOM 576 N ASP A 42 13.151 -2.297 -5.606 1.00 0.00 N ATOM 577 CA ASP A 42 13.924 -2.607 -6.797 1.00 0.00 C ATOM 578 C ASP A 42 13.621 -4.041 -7.236 1.00 0.00 C ATOM 579 O ASP A 42 13.651 -4.963 -6.423 1.00 0.00 O ATOM 580 CB ASP A 42 15.425 -2.504 -6.521 1.00 0.00 C ATOM 581 CG ASP A 42 16.315 -3.301 -7.478 1.00 0.00 C ATOM 582 OD1 ASP A 42 16.039 -3.236 -8.696 1.00 0.00 O ATOM 583 OD2 ASP A 42 17.250 -3.957 -6.971 1.00 0.00 O ATOM 0 H ASP A 42 13.709 -2.072 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 42 13.650 -1.892 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.716 -1.455 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.616 -2.844 -5.503 1.00 0.00 H new ATOM 588 N GLY A 43 13.336 -4.184 -8.522 1.00 0.00 N ATOM 589 CA GLY A 43 13.028 -5.490 -9.080 1.00 0.00 C ATOM 590 C GLY A 43 12.008 -6.230 -8.213 1.00 0.00 C ATOM 591 O GLY A 43 12.146 -7.427 -7.970 1.00 0.00 O ATOM 0 H GLY A 43 13.312 -3.417 -9.194 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.636 -5.374 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.941 -6.081 -9.158 1.00 0.00 H new ATOM 595 N CYS A 44 11.005 -5.485 -7.770 1.00 0.00 N ATOM 596 CA CYS A 44 9.961 -6.055 -6.935 1.00 0.00 C ATOM 597 C CYS A 44 8.614 -5.809 -7.616 1.00 0.00 C ATOM 598 O CYS A 44 8.140 -4.676 -7.672 1.00 0.00 O ATOM 599 CB CYS A 44 9.997 -5.484 -5.516 1.00 0.00 C ATOM 600 SG CYS A 44 11.596 -5.882 -4.721 1.00 0.00 S ATOM 0 H CYS A 44 10.893 -4.492 -7.974 1.00 0.00 H new ATOM 0 HA CYS A 44 10.122 -7.128 -6.828 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.856 -4.404 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.177 -5.896 -4.928 1.00 0.00 H new ATOM 0 HG CYS A 44 12.556 -5.752 -5.588 1.00 0.00 H new ATOM 606 N ARG A 45 8.034 -6.891 -8.117 1.00 0.00 N ATOM 607 CA ARG A 45 6.750 -6.807 -8.792 1.00 0.00 C ATOM 608 C ARG A 45 5.610 -7.023 -7.794 1.00 0.00 C ATOM 609 O ARG A 45 5.430 -8.127 -7.282 1.00 0.00 O ATOM 610 CB ARG A 45 6.645 -7.847 -9.908 1.00 0.00 C ATOM 611 CG ARG A 45 7.624 -7.535 -11.043 1.00 0.00 C ATOM 612 CD ARG A 45 7.728 -8.711 -12.016 1.00 0.00 C ATOM 613 NE ARG A 45 9.100 -9.265 -11.995 1.00 0.00 N ATOM 614 CZ ARG A 45 10.141 -8.718 -12.637 1.00 0.00 C ATOM 615 NH1 ARG A 45 9.973 -7.599 -13.354 1.00 0.00 N ATOM 616 NH2 ARG A 45 11.350 -9.291 -12.562 1.00 0.00 N ATOM 0 H ARG A 45 8.430 -7.830 -8.069 1.00 0.00 H new ATOM 0 HA ARG A 45 6.671 -5.812 -9.230 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.853 -8.839 -9.506 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.627 -7.867 -10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.295 -6.644 -11.578 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.608 -7.313 -10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.010 -9.485 -11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.475 -8.383 -13.024 1.00 0.00 H new ATOM 0 HE ARG A 45 9.263 -10.117 -11.458 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.053 -7.163 -13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.766 -7.183 -13.843 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.477 -10.143 -12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.143 -8.875 -13.051 1.00 0.00 H new ATOM 630 N ILE A 46 4.870 -5.952 -7.548 1.00 0.00 N ATOM 631 CA ILE A 46 3.753 -6.011 -6.621 1.00 0.00 C ATOM 632 C ILE A 46 2.443 -5.875 -7.398 1.00 0.00 C ATOM 633 O ILE A 46 2.406 -5.246 -8.455 1.00 0.00 O ATOM 634 CB ILE A 46 3.922 -4.969 -5.512 1.00 0.00 C ATOM 635 CG1 ILE A 46 5.343 -4.995 -4.947 1.00 0.00 C ATOM 636 CG2 ILE A 46 2.867 -5.156 -4.420 1.00 0.00 C ATOM 637 CD1 ILE A 46 6.032 -3.642 -5.133 1.00 0.00 C ATOM 0 H ILE A 46 5.022 -5.038 -7.975 1.00 0.00 H new ATOM 0 HA ILE A 46 3.726 -6.977 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 46 3.766 -3.981 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.312 -5.249 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.922 -5.773 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.009 -4.404 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.872 -5.048 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.967 -6.150 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.041 -3.688 -4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.083 -3.403 -6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.464 -2.870 -4.614 1.00 0.00 H new ATOM 649 N TYR A 47 1.399 -6.475 -6.845 1.00 0.00 N ATOM 650 CA TYR A 47 0.090 -6.429 -7.474 1.00 0.00 C ATOM 651 C TYR A 47 -0.904 -5.645 -6.614 1.00 0.00 C ATOM 652 O TYR A 47 -1.164 -6.012 -5.469 1.00 0.00 O ATOM 653 CB TYR A 47 -0.379 -7.881 -7.579 1.00 0.00 C ATOM 654 CG TYR A 47 -1.753 -8.046 -8.231 1.00 0.00 C ATOM 655 CD1 TYR A 47 -2.891 -7.665 -7.549 1.00 0.00 C ATOM 656 CD2 TYR A 47 -1.855 -8.576 -9.501 1.00 0.00 C ATOM 657 CE1 TYR A 47 -4.184 -7.821 -8.163 1.00 0.00 C ATOM 658 CE2 TYR A 47 -3.148 -8.731 -10.115 1.00 0.00 C ATOM 659 CZ TYR A 47 -4.249 -8.346 -9.416 1.00 0.00 C ATOM 660 OH TYR A 47 -5.471 -8.492 -9.995 1.00 0.00 O ATOM 0 H TYR A 47 1.433 -6.995 -5.968 1.00 0.00 H new ATOM 0 HA TYR A 47 0.148 -5.937 -8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.354 -8.448 -8.152 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.408 -8.316 -6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.812 -7.250 -6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.965 -8.875 -10.035 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.082 -7.528 -7.640 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.241 -9.144 -11.109 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.363 -8.614 -10.961 1.00 0.00 H new ATOM 670 N LEU A 48 -1.433 -4.581 -7.199 1.00 0.00 N ATOM 671 CA LEU A 48 -2.392 -3.742 -6.500 1.00 0.00 C ATOM 672 C LEU A 48 -3.785 -4.367 -6.611 1.00 0.00 C ATOM 673 O LEU A 48 -4.296 -4.561 -7.713 1.00 0.00 O ATOM 674 CB LEU A 48 -2.321 -2.303 -7.015 1.00 0.00 C ATOM 675 CG LEU A 48 -1.099 -1.494 -6.578 1.00 0.00 C ATOM 676 CD1 LEU A 48 -1.151 -0.073 -7.143 1.00 0.00 C ATOM 677 CD2 LEU A 48 -0.953 -1.500 -5.055 1.00 0.00 C ATOM 0 H LEU A 48 -1.216 -4.280 -8.149 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.149 -3.688 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.346 -2.326 -8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.217 -1.776 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.209 -1.971 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.270 0.481 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.171 -0.115 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.049 0.429 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.076 -0.918 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.842 -1.061 -4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.836 -2.526 -4.705 1.00 0.00 H new ATOM 689 N CYS A 49 -4.358 -4.665 -5.455 1.00 0.00 N ATOM 690 CA CYS A 49 -5.681 -5.263 -5.408 1.00 0.00 C ATOM 691 C CYS A 49 -6.579 -4.378 -4.542 1.00 0.00 C ATOM 692 O CYS A 49 -6.203 -4.003 -3.432 1.00 0.00 O ATOM 693 CB CYS A 49 -5.633 -6.703 -4.893 1.00 0.00 C ATOM 694 SG CYS A 49 -4.238 -6.904 -3.726 1.00 0.00 S ATOM 0 H CYS A 49 -3.930 -4.504 -4.543 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.092 -5.320 -6.416 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.571 -6.952 -4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.521 -7.393 -5.729 1.00 0.00 H new ATOM 0 HG CYS A 49 -3.455 -5.869 -3.803 1.00 0.00 H new ATOM 700 N GLY A 50 -7.749 -4.068 -5.082 1.00 0.00 N ATOM 701 CA GLY A 50 -8.703 -3.234 -4.372 1.00 0.00 C ATOM 702 C GLY A 50 -8.200 -1.793 -4.267 1.00 0.00 C ATOM 703 O GLY A 50 -7.966 -1.291 -3.168 1.00 0.00 O ATOM 0 H GLY A 50 -8.057 -4.380 -6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.662 -3.251 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.872 -3.638 -3.374 1.00 0.00 H new ATOM 707 N PHE A 51 -8.048 -1.167 -5.425 1.00 0.00 N ATOM 708 CA PHE A 51 -7.576 0.206 -5.477 1.00 0.00 C ATOM 709 C PHE A 51 -8.085 0.913 -6.735 1.00 0.00 C ATOM 710 O PHE A 51 -7.938 0.399 -7.843 1.00 0.00 O ATOM 711 CB PHE A 51 -6.048 0.153 -5.519 1.00 0.00 C ATOM 712 CG PHE A 51 -5.399 -0.168 -4.172 1.00 0.00 C ATOM 713 CD1 PHE A 51 -5.717 0.565 -3.072 1.00 0.00 C ATOM 714 CD2 PHE A 51 -4.504 -1.188 -4.074 1.00 0.00 C ATOM 715 CE1 PHE A 51 -5.115 0.266 -1.821 1.00 0.00 C ATOM 716 CE2 PHE A 51 -3.902 -1.487 -2.823 1.00 0.00 C ATOM 717 CZ PHE A 51 -4.220 -0.753 -1.723 1.00 0.00 C ATOM 0 H PHE A 51 -8.243 -1.586 -6.334 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.940 0.758 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.741 -0.598 -6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.671 1.113 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.427 1.375 -3.150 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.251 -1.770 -4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.368 0.848 -0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.192 -2.297 -2.745 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.762 -0.980 -0.772 1.00 0.00 H new ATOM 727 N SER A 52 -8.673 2.082 -6.522 1.00 0.00 N ATOM 728 CA SER A 52 -9.204 2.864 -7.625 1.00 0.00 C ATOM 729 C SER A 52 -9.423 4.312 -7.181 1.00 0.00 C ATOM 730 O SER A 52 -9.984 4.561 -6.115 1.00 0.00 O ATOM 731 CB SER A 52 -10.512 2.265 -8.145 1.00 0.00 C ATOM 732 OG SER A 52 -10.410 1.863 -9.508 1.00 0.00 O ATOM 0 H SER A 52 -8.793 2.506 -5.602 1.00 0.00 H new ATOM 0 HA SER A 52 -8.479 2.845 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.786 1.406 -7.533 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.313 2.998 -8.042 1.00 0.00 H new ATOM 0 HG SER A 52 -11.265 1.484 -9.802 1.00 0.00 H new ATOM 738 N GLY A 53 -8.967 5.230 -8.022 1.00 0.00 N ATOM 739 CA GLY A 53 -9.106 6.646 -7.730 1.00 0.00 C ATOM 740 C GLY A 53 -7.799 7.224 -7.183 1.00 0.00 C ATOM 741 O GLY A 53 -6.810 7.327 -7.907 1.00 0.00 O ATOM 0 H GLY A 53 -8.501 5.020 -8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.394 7.181 -8.635 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.905 6.795 -7.004 1.00 0.00 H new ATOM 745 N ARG A 54 -7.837 7.586 -5.909 1.00 0.00 N ATOM 746 CA ARG A 54 -6.668 8.150 -5.256 1.00 0.00 C ATOM 747 C ARG A 54 -5.828 7.041 -4.619 1.00 0.00 C ATOM 748 O ARG A 54 -4.617 6.977 -4.827 1.00 0.00 O ATOM 749 CB ARG A 54 -7.071 9.158 -4.178 1.00 0.00 C ATOM 750 CG ARG A 54 -7.264 10.553 -4.776 1.00 0.00 C ATOM 751 CD ARG A 54 -7.675 11.559 -3.698 1.00 0.00 C ATOM 752 NE ARG A 54 -7.469 12.939 -4.190 1.00 0.00 N ATOM 753 CZ ARG A 54 -8.323 13.586 -4.995 1.00 0.00 C ATOM 754 NH1 ARG A 54 -9.447 12.981 -5.403 1.00 0.00 N ATOM 755 NH2 ARG A 54 -8.054 14.837 -5.391 1.00 0.00 N ATOM 0 H ARG A 54 -8.659 7.500 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.080 8.664 -6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.994 8.833 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.305 9.193 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.339 10.880 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.026 10.517 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.721 11.412 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.089 11.395 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.623 13.429 -3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.652 12.029 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.097 13.473 -6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.199 15.298 -5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.704 15.329 -6.004 1.00 0.00 H new ATOM 769 N LYS A 55 -6.504 6.195 -3.856 1.00 0.00 N ATOM 770 CA LYS A 55 -5.836 5.091 -3.188 1.00 0.00 C ATOM 771 C LYS A 55 -4.899 4.394 -4.176 1.00 0.00 C ATOM 772 O LYS A 55 -3.776 4.036 -3.826 1.00 0.00 O ATOM 773 CB LYS A 55 -6.860 4.154 -2.545 1.00 0.00 C ATOM 774 CG LYS A 55 -7.609 4.856 -1.411 1.00 0.00 C ATOM 775 CD LYS A 55 -8.055 3.852 -0.345 1.00 0.00 C ATOM 776 CE LYS A 55 -7.825 4.407 1.062 1.00 0.00 C ATOM 777 NZ LYS A 55 -8.972 4.087 1.940 1.00 0.00 N ATOM 0 H LYS A 55 -7.508 6.252 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.219 5.460 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.570 3.813 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.356 3.268 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.966 5.611 -0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.479 5.377 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.111 3.619 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.505 2.919 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.911 3.986 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.686 5.487 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.799 4.471 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.838 4.510 1.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.087 3.055 1.999 1.00 0.00 H new ATOM 791 N LEU A 56 -5.396 4.222 -5.392 1.00 0.00 N ATOM 792 CA LEU A 56 -4.618 3.574 -6.434 1.00 0.00 C ATOM 793 C LEU A 56 -3.490 4.507 -6.877 1.00 0.00 C ATOM 794 O LEU A 56 -2.317 4.233 -6.626 1.00 0.00 O ATOM 795 CB LEU A 56 -5.527 3.121 -7.579 1.00 0.00 C ATOM 796 CG LEU A 56 -4.844 2.357 -8.715 1.00 0.00 C ATOM 797 CD1 LEU A 56 -3.838 1.343 -8.168 1.00 0.00 C ATOM 798 CD2 LEU A 56 -5.877 1.701 -9.633 1.00 0.00 C ATOM 0 H LEU A 56 -6.328 4.520 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.150 2.667 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.313 2.490 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.013 4.001 -8.000 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.284 3.072 -9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.367 0.814 -8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.075 1.863 -7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.354 0.628 -7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.365 1.165 -10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.484 1.002 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.519 2.468 -10.065 1.00 0.00 H new ATOM 810 N ASP A 57 -3.883 5.591 -7.530 1.00 0.00 N ATOM 811 CA ASP A 57 -2.920 6.567 -8.010 1.00 0.00 C ATOM 812 C ASP A 57 -1.757 6.659 -7.020 1.00 0.00 C ATOM 813 O ASP A 57 -0.594 6.626 -7.418 1.00 0.00 O ATOM 814 CB ASP A 57 -3.553 7.955 -8.127 1.00 0.00 C ATOM 815 CG ASP A 57 -2.560 9.119 -8.146 1.00 0.00 C ATOM 816 OD1 ASP A 57 -1.525 8.971 -8.831 1.00 0.00 O ATOM 817 OD2 ASP A 57 -2.858 10.130 -7.474 1.00 0.00 O ATOM 0 H ASP A 57 -4.856 5.815 -7.738 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.575 6.245 -8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.149 7.990 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.239 8.096 -7.292 1.00 0.00 H new ATOM 822 N LYS A 58 -2.112 6.774 -5.749 1.00 0.00 N ATOM 823 CA LYS A 58 -1.113 6.872 -4.698 1.00 0.00 C ATOM 824 C LYS A 58 -0.119 5.717 -4.837 1.00 0.00 C ATOM 825 O LYS A 58 1.054 5.935 -5.136 1.00 0.00 O ATOM 826 CB LYS A 58 -1.784 6.944 -3.325 1.00 0.00 C ATOM 827 CG LYS A 58 -2.422 8.316 -3.099 1.00 0.00 C ATOM 828 CD LYS A 58 -1.357 9.373 -2.799 1.00 0.00 C ATOM 829 CE LYS A 58 -1.990 10.757 -2.633 1.00 0.00 C ATOM 830 NZ LYS A 58 -1.111 11.800 -3.207 1.00 0.00 N ATOM 0 H LYS A 58 -3.078 6.802 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.545 7.797 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.545 6.168 -3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.048 6.748 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.990 8.607 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.128 8.261 -2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.818 9.104 -1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.626 9.398 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.962 10.780 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.163 10.960 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.641 12.320 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.393 11.354 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.680 12.460 -3.774 1.00 0.00 H new ATOM 844 N LEU A 59 -0.625 4.513 -4.612 1.00 0.00 N ATOM 845 CA LEU A 59 0.204 3.323 -4.708 1.00 0.00 C ATOM 846 C LEU A 59 1.018 3.377 -6.003 1.00 0.00 C ATOM 847 O LEU A 59 2.230 3.167 -5.987 1.00 0.00 O ATOM 848 CB LEU A 59 -0.651 2.062 -4.573 1.00 0.00 C ATOM 849 CG LEU A 59 -0.606 1.364 -3.212 1.00 0.00 C ATOM 850 CD1 LEU A 59 -0.164 2.333 -2.113 1.00 0.00 C ATOM 851 CD2 LEU A 59 -1.948 0.705 -2.888 1.00 0.00 C ATOM 0 H LEU A 59 -1.598 4.336 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 59 0.916 3.288 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.686 2.324 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.335 1.350 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 59 0.139 0.570 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.140 1.812 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.831 2.715 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.867 3.164 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.888 0.216 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.730 1.464 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.184 -0.036 -3.652 1.00 0.00 H new ATOM 863 N ARG A 60 0.320 3.661 -7.092 1.00 0.00 N ATOM 864 CA ARG A 60 0.963 3.745 -8.392 1.00 0.00 C ATOM 865 C ARG A 60 2.226 4.604 -8.305 1.00 0.00 C ATOM 866 O ARG A 60 3.265 4.246 -8.858 1.00 0.00 O ATOM 867 CB ARG A 60 0.019 4.344 -9.436 1.00 0.00 C ATOM 868 CG ARG A 60 -1.283 3.544 -9.521 1.00 0.00 C ATOM 869 CD ARG A 60 -1.974 3.764 -10.868 1.00 0.00 C ATOM 870 NE ARG A 60 -3.107 4.702 -10.709 1.00 0.00 N ATOM 871 CZ ARG A 60 -3.592 5.469 -11.695 1.00 0.00 C ATOM 872 NH1 ARG A 60 -3.045 5.414 -12.917 1.00 0.00 N ATOM 873 NH2 ARG A 60 -4.623 6.292 -11.459 1.00 0.00 N ATOM 0 H ARG A 60 -0.685 3.836 -7.101 1.00 0.00 H new ATOM 0 HA ARG A 60 1.228 2.732 -8.696 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.203 5.380 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.508 4.354 -10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.072 2.483 -9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.951 3.842 -8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.261 4.161 -11.591 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.331 2.813 -11.262 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.547 4.769 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.260 4.788 -13.097 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.414 5.998 -13.668 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.039 6.335 -10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.992 6.876 -12.210 1.00 0.00 H new ATOM 887 N ARG A 61 2.096 5.722 -7.606 1.00 0.00 N ATOM 888 CA ARG A 61 3.214 6.635 -7.439 1.00 0.00 C ATOM 889 C ARG A 61 4.233 6.053 -6.457 1.00 0.00 C ATOM 890 O ARG A 61 5.439 6.149 -6.678 1.00 0.00 O ATOM 891 CB ARG A 61 2.741 7.996 -6.925 1.00 0.00 C ATOM 892 CG ARG A 61 1.957 8.747 -8.003 1.00 0.00 C ATOM 893 CD ARG A 61 1.880 10.242 -7.685 1.00 0.00 C ATOM 894 NE ARG A 61 1.301 10.975 -8.832 1.00 0.00 N ATOM 895 CZ ARG A 61 1.391 12.301 -8.999 1.00 0.00 C ATOM 896 NH1 ARG A 61 2.037 13.048 -8.094 1.00 0.00 N ATOM 897 NH2 ARG A 61 0.834 12.881 -10.072 1.00 0.00 N ATOM 0 H ARG A 61 1.233 6.016 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 61 3.681 6.770 -8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.114 7.858 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.600 8.590 -6.615 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.434 8.602 -8.972 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.951 8.335 -8.079 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.270 10.402 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.875 10.626 -7.462 1.00 0.00 H new ATOM 0 HE ARG A 61 0.802 10.437 -9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.461 12.607 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.105 14.058 -8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.342 12.312 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.903 13.891 -10.199 1.00 0.00 H new ATOM 911 N LEU A 62 3.710 5.461 -5.393 1.00 0.00 N ATOM 912 CA LEU A 62 4.559 4.863 -4.376 1.00 0.00 C ATOM 913 C LEU A 62 5.441 3.792 -5.020 1.00 0.00 C ATOM 914 O LEU A 62 6.658 3.949 -5.098 1.00 0.00 O ATOM 915 CB LEU A 62 3.715 4.345 -3.210 1.00 0.00 C ATOM 916 CG LEU A 62 3.415 5.354 -2.099 1.00 0.00 C ATOM 917 CD1 LEU A 62 2.037 5.990 -2.293 1.00 0.00 C ATOM 918 CD2 LEU A 62 3.559 4.708 -0.719 1.00 0.00 C ATOM 0 H LEU A 62 2.709 5.383 -5.213 1.00 0.00 H new ATOM 0 HA LEU A 62 5.226 5.611 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.768 3.979 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.227 3.490 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 62 4.151 6.156 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.849 6.703 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.007 6.507 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.272 5.214 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.341 5.446 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.861 3.875 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.578 4.342 -0.593 1.00 0.00 H new ATOM 930 N ILE A 63 4.792 2.726 -5.466 1.00 0.00 N ATOM 931 CA ILE A 63 5.503 1.629 -6.101 1.00 0.00 C ATOM 932 C ILE A 63 6.587 2.193 -7.021 1.00 0.00 C ATOM 933 O ILE A 63 7.758 1.839 -6.896 1.00 0.00 O ATOM 934 CB ILE A 63 4.521 0.693 -6.809 1.00 0.00 C ATOM 935 CG1 ILE A 63 3.675 -0.082 -5.797 1.00 0.00 C ATOM 936 CG2 ILE A 63 5.252 -0.238 -7.778 1.00 0.00 C ATOM 937 CD1 ILE A 63 2.287 -0.389 -6.363 1.00 0.00 C ATOM 0 H ILE A 63 3.782 2.599 -5.400 1.00 0.00 H new ATOM 0 HA ILE A 63 6.007 1.018 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 63 3.837 1.301 -7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.178 -1.012 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.577 0.498 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.531 -0.892 -8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.772 0.355 -8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.974 -0.841 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.706 -0.940 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.777 0.544 -6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.387 -0.990 -7.267 1.00 0.00 H new ATOM 949 N ASN A 64 6.158 3.062 -7.924 1.00 0.00 N ATOM 950 CA ASN A 64 7.078 3.680 -8.864 1.00 0.00 C ATOM 951 C ASN A 64 8.153 4.445 -8.091 1.00 0.00 C ATOM 952 O ASN A 64 9.339 4.342 -8.403 1.00 0.00 O ATOM 953 CB ASN A 64 6.352 4.673 -9.774 1.00 0.00 C ATOM 954 CG ASN A 64 6.460 4.254 -11.241 1.00 0.00 C ATOM 955 OD1 ASN A 64 7.537 4.068 -11.782 1.00 0.00 O ATOM 956 ND2 ASN A 64 5.287 4.115 -11.852 1.00 0.00 N ATOM 0 H ASN A 64 5.186 3.353 -8.025 1.00 0.00 H new ATOM 0 HA ASN A 64 7.519 2.890 -9.472 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.302 4.735 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.777 5.668 -9.644 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.253 3.837 -12.833 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.422 4.286 -11.340 1.00 0.00 H new ATOM 963 N SER A 65 7.701 5.197 -7.098 1.00 0.00 N ATOM 964 CA SER A 65 8.610 5.979 -6.278 1.00 0.00 C ATOM 965 C SER A 65 9.681 5.071 -5.670 1.00 0.00 C ATOM 966 O SER A 65 10.840 5.465 -5.551 1.00 0.00 O ATOM 967 CB SER A 65 7.855 6.722 -5.174 1.00 0.00 C ATOM 968 OG SER A 65 8.691 7.649 -4.486 1.00 0.00 O ATOM 0 H SER A 65 6.717 5.281 -6.843 1.00 0.00 H new ATOM 0 HA SER A 65 9.092 6.721 -6.915 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.007 7.252 -5.608 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.451 6.001 -4.463 1.00 0.00 H new ATOM 0 HG SER A 65 8.172 8.104 -3.790 1.00 0.00 H new ATOM 974 N GLY A 66 9.254 3.872 -5.301 1.00 0.00 N ATOM 975 CA GLY A 66 10.161 2.905 -4.708 1.00 0.00 C ATOM 976 C GLY A 66 10.859 2.074 -5.787 1.00 0.00 C ATOM 977 O GLY A 66 11.663 1.196 -5.477 1.00 0.00 O ATOM 0 H GLY A 66 8.292 3.549 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.906 3.423 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.609 2.247 -4.037 1.00 0.00 H new ATOM 981 N GLY A 67 10.527 2.382 -7.032 1.00 0.00 N ATOM 982 CA GLY A 67 11.111 1.675 -8.159 1.00 0.00 C ATOM 983 C GLY A 67 10.327 0.399 -8.473 1.00 0.00 C ATOM 984 O GLY A 67 10.503 -0.197 -9.535 1.00 0.00 O ATOM 0 H GLY A 67 9.861 3.112 -7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.121 2.324 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.148 1.423 -7.937 1.00 0.00 H new ATOM 988 N GLY A 68 9.478 0.018 -7.530 1.00 0.00 N ATOM 989 CA GLY A 68 8.666 -1.177 -7.692 1.00 0.00 C ATOM 990 C GLY A 68 7.915 -1.152 -9.025 1.00 0.00 C ATOM 991 O GLY A 68 7.750 -0.093 -9.629 1.00 0.00 O ATOM 0 H GLY A 68 9.334 0.515 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.301 -2.062 -7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.954 -1.251 -6.870 1.00 0.00 H new ATOM 995 N VAL A 69 7.480 -2.331 -9.444 1.00 0.00 N ATOM 996 CA VAL A 69 6.750 -2.458 -10.694 1.00 0.00 C ATOM 997 C VAL A 69 5.304 -2.858 -10.397 1.00 0.00 C ATOM 998 O VAL A 69 5.052 -3.939 -9.867 1.00 0.00 O ATOM 999 CB VAL A 69 7.465 -3.444 -11.620 1.00 0.00 C ATOM 1000 CG1 VAL A 69 6.523 -3.951 -12.714 1.00 0.00 C ATOM 1001 CG2 VAL A 69 8.721 -2.815 -12.227 1.00 0.00 C ATOM 0 H VAL A 69 7.619 -3.207 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 69 6.722 -1.503 -11.218 1.00 0.00 H new ATOM 0 HB VAL A 69 7.775 -4.300 -11.021 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.056 -4.650 -13.358 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.672 -4.456 -12.256 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.168 -3.109 -13.308 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.210 -3.537 -12.881 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.444 -1.933 -12.804 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.405 -2.526 -11.429 1.00 0.00 H new ATOM 1011 N ARG A 70 4.391 -1.965 -10.751 1.00 0.00 N ATOM 1012 CA ARG A 70 2.977 -2.212 -10.529 1.00 0.00 C ATOM 1013 C ARG A 70 2.415 -3.110 -11.633 1.00 0.00 C ATOM 1014 O ARG A 70 2.207 -2.661 -12.759 1.00 0.00 O ATOM 1015 CB ARG A 70 2.188 -0.902 -10.496 1.00 0.00 C ATOM 1016 CG ARG A 70 0.705 -1.161 -10.224 1.00 0.00 C ATOM 1017 CD ARG A 70 -0.152 0.020 -10.683 1.00 0.00 C ATOM 1018 NE ARG A 70 -0.420 -0.083 -12.135 1.00 0.00 N ATOM 1019 CZ ARG A 70 0.167 0.684 -13.063 1.00 0.00 C ATOM 1020 NH1 ARG A 70 1.058 1.615 -12.697 1.00 0.00 N ATOM 1021 NH2 ARG A 70 -0.137 0.520 -14.358 1.00 0.00 N ATOM 0 H ARG A 70 4.604 -1.069 -11.190 1.00 0.00 H new ATOM 0 HA ARG A 70 2.875 -2.709 -9.564 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.594 -0.248 -9.724 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.301 -0.381 -11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.390 -2.067 -10.742 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.552 -1.333 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.092 0.034 -10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.359 0.958 -10.465 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.094 -0.782 -12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.290 1.740 -11.711 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.505 2.199 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.815 -0.189 -14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.310 1.104 -15.065 1.00 0.00 H new ATOM 1035 N PHE A 71 2.185 -4.364 -11.271 1.00 0.00 N ATOM 1036 CA PHE A 71 1.651 -5.330 -12.217 1.00 0.00 C ATOM 1037 C PHE A 71 0.137 -5.168 -12.370 1.00 0.00 C ATOM 1038 O PHE A 71 -0.600 -5.227 -11.387 1.00 0.00 O ATOM 1039 CB PHE A 71 1.949 -6.720 -11.653 1.00 0.00 C ATOM 1040 CG PHE A 71 3.089 -7.449 -12.366 1.00 0.00 C ATOM 1041 CD1 PHE A 71 4.196 -6.763 -12.758 1.00 0.00 C ATOM 1042 CD2 PHE A 71 2.997 -8.785 -12.607 1.00 0.00 C ATOM 1043 CE1 PHE A 71 5.254 -7.440 -13.420 1.00 0.00 C ATOM 1044 CE2 PHE A 71 4.055 -9.462 -13.269 1.00 0.00 C ATOM 1045 CZ PHE A 71 5.162 -8.775 -13.661 1.00 0.00 C ATOM 0 H PHE A 71 2.359 -4.733 -10.336 1.00 0.00 H new ATOM 0 HA PHE A 71 2.106 -5.182 -13.196 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.196 -6.626 -10.596 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.047 -7.328 -11.717 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.270 -5.703 -12.566 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.119 -9.331 -12.295 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.132 -6.894 -13.732 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.981 -10.522 -13.461 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.967 -9.290 -14.163 1.00 0.00 H new ATOM 1055 N ASN A 72 -0.282 -4.967 -13.611 1.00 0.00 N ATOM 1056 CA ASN A 72 -1.695 -4.796 -13.905 1.00 0.00 C ATOM 1057 C ASN A 72 -2.392 -6.157 -13.843 1.00 0.00 C ATOM 1058 O ASN A 72 -3.617 -6.227 -13.759 1.00 0.00 O ATOM 1059 CB ASN A 72 -1.900 -4.223 -15.308 1.00 0.00 C ATOM 1060 CG ASN A 72 -2.403 -2.780 -15.243 1.00 0.00 C ATOM 1061 OD1 ASN A 72 -2.325 -2.113 -14.225 1.00 0.00 O ATOM 1062 ND2 ASN A 72 -2.923 -2.336 -16.384 1.00 0.00 N ATOM 0 H ASN A 72 0.332 -4.919 -14.424 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.112 -4.107 -13.170 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.961 -4.260 -15.860 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.616 -4.837 -15.854 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.287 -1.385 -16.443 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.958 -2.947 -17.200 1.00 0.00 H new ATOM 1069 N GLN A 73 -1.582 -7.204 -13.888 1.00 0.00 N ATOM 1070 CA GLN A 73 -2.105 -8.558 -13.838 1.00 0.00 C ATOM 1071 C GLN A 73 -1.422 -9.351 -12.722 1.00 0.00 C ATOM 1072 O GLN A 73 -0.418 -8.908 -12.167 1.00 0.00 O ATOM 1073 CB GLN A 73 -1.942 -9.259 -15.188 1.00 0.00 C ATOM 1074 CG GLN A 73 -0.496 -9.171 -15.680 1.00 0.00 C ATOM 1075 CD GLN A 73 -0.166 -10.329 -16.624 1.00 0.00 C ATOM 1076 OE1 GLN A 73 -0.701 -11.421 -16.519 1.00 0.00 O ATOM 1077 NE2 GLN A 73 0.741 -10.031 -17.550 1.00 0.00 N ATOM 0 H GLN A 73 -0.566 -7.142 -13.959 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.172 -8.506 -13.619 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.236 -10.305 -15.097 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.608 -8.804 -15.921 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.340 -8.223 -16.194 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.183 -9.187 -14.828 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.149 -9.097 -17.582 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.028 -10.737 -18.228 1.00 0.00 H new ATOM 1086 N LEU A 74 -1.994 -10.509 -12.427 1.00 0.00 N ATOM 1087 CA LEU A 74 -1.452 -11.368 -11.388 1.00 0.00 C ATOM 1088 C LEU A 74 -0.797 -12.591 -12.032 1.00 0.00 C ATOM 1089 O LEU A 74 -1.078 -12.914 -13.185 1.00 0.00 O ATOM 1090 CB LEU A 74 -2.534 -11.717 -10.364 1.00 0.00 C ATOM 1091 CG LEU A 74 -2.126 -11.609 -8.893 1.00 0.00 C ATOM 1092 CD1 LEU A 74 -3.336 -11.301 -8.010 1.00 0.00 C ATOM 1093 CD2 LEU A 74 -1.388 -12.869 -8.435 1.00 0.00 C ATOM 0 H LEU A 74 -2.827 -10.873 -12.889 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.674 -10.847 -10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.390 -11.063 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.870 -12.736 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.432 -10.774 -8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.018 -11.229 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.781 -10.355 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.072 -12.098 -8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.109 -12.766 -7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.039 -13.735 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.490 -13.004 -9.038 1.00 0.00 H new ATOM 1105 N ASN A 75 0.063 -13.238 -11.260 1.00 0.00 N ATOM 1106 CA ASN A 75 0.760 -14.419 -11.741 1.00 0.00 C ATOM 1107 C ASN A 75 1.852 -14.804 -10.741 1.00 0.00 C ATOM 1108 O ASN A 75 1.983 -14.181 -9.688 1.00 0.00 O ATOM 1109 CB ASN A 75 1.428 -14.152 -13.091 1.00 0.00 C ATOM 1110 CG ASN A 75 1.674 -12.656 -13.295 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.338 -11.997 -12.512 1.00 0.00 O ATOM 1112 ND2 ASN A 75 1.102 -12.157 -14.388 1.00 0.00 N ATOM 0 H ASN A 75 0.293 -12.967 -10.304 1.00 0.00 H new ATOM 0 HA ASN A 75 0.029 -15.220 -11.852 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.374 -14.690 -13.145 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.798 -14.533 -13.894 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.207 -11.167 -14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.559 -12.764 -15.002 1.00 0.00 H new ATOM 1119 N GLU A 76 2.609 -15.828 -11.106 1.00 0.00 N ATOM 1120 CA GLU A 76 3.686 -16.304 -10.254 1.00 0.00 C ATOM 1121 C GLU A 76 4.782 -15.242 -10.141 1.00 0.00 C ATOM 1122 O GLU A 76 5.628 -15.311 -9.251 1.00 0.00 O ATOM 1123 CB GLU A 76 4.255 -17.625 -10.775 1.00 0.00 C ATOM 1124 CG GLU A 76 3.142 -18.651 -10.997 1.00 0.00 C ATOM 1125 CD GLU A 76 3.717 -20.063 -11.135 1.00 0.00 C ATOM 1126 OE1 GLU A 76 4.625 -20.225 -11.980 1.00 0.00 O ATOM 1127 OE2 GLU A 76 3.237 -20.947 -10.394 1.00 0.00 O ATOM 0 H GLU A 76 2.498 -16.342 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 76 3.281 -16.488 -9.259 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.787 -17.452 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.981 -18.019 -10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.442 -18.620 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.580 -18.394 -11.895 1.00 0.00 H new ATOM 1134 N ASP A 77 4.730 -14.284 -11.055 1.00 0.00 N ATOM 1135 CA ASP A 77 5.708 -13.209 -11.069 1.00 0.00 C ATOM 1136 C ASP A 77 5.486 -12.308 -9.854 1.00 0.00 C ATOM 1137 O ASP A 77 6.440 -11.920 -9.181 1.00 0.00 O ATOM 1138 CB ASP A 77 5.564 -12.351 -12.328 1.00 0.00 C ATOM 1139 CG ASP A 77 6.239 -12.917 -13.578 1.00 0.00 C ATOM 1140 OD1 ASP A 77 6.568 -14.123 -13.548 1.00 0.00 O ATOM 1141 OD2 ASP A 77 6.412 -12.132 -14.535 1.00 0.00 O ATOM 0 H ASP A 77 4.026 -14.230 -11.791 1.00 0.00 H new ATOM 0 HA ASP A 77 6.702 -13.656 -11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.503 -12.215 -12.537 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.978 -11.363 -12.126 1.00 0.00 H new ATOM 1146 N VAL A 78 4.220 -12.000 -9.609 1.00 0.00 N ATOM 1147 CA VAL A 78 3.861 -11.151 -8.486 1.00 0.00 C ATOM 1148 C VAL A 78 4.656 -11.581 -7.251 1.00 0.00 C ATOM 1149 O VAL A 78 4.671 -12.759 -6.898 1.00 0.00 O ATOM 1150 CB VAL A 78 2.347 -11.189 -8.265 1.00 0.00 C ATOM 1151 CG1 VAL A 78 1.962 -10.448 -6.983 1.00 0.00 C ATOM 1152 CG2 VAL A 78 1.602 -10.618 -9.473 1.00 0.00 C ATOM 0 H VAL A 78 3.431 -12.323 -10.169 1.00 0.00 H new ATOM 0 HA VAL A 78 4.121 -10.113 -8.694 1.00 0.00 H new ATOM 0 HB VAL A 78 2.051 -12.232 -8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.881 -10.490 -6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.452 -10.918 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.279 -9.408 -7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.528 -10.657 -9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.906 -9.583 -9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.840 -11.206 -10.359 1.00 0.00 H new ATOM 1162 N THR A 79 5.298 -10.603 -6.630 1.00 0.00 N ATOM 1163 CA THR A 79 6.093 -10.866 -5.442 1.00 0.00 C ATOM 1164 C THR A 79 5.370 -10.359 -4.193 1.00 0.00 C ATOM 1165 O THR A 79 5.785 -10.646 -3.072 1.00 0.00 O ATOM 1166 CB THR A 79 7.470 -10.232 -5.646 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.208 -8.831 -5.672 1.00 0.00 O ATOM 1168 CG2 THR A 79 8.052 -10.527 -7.030 1.00 0.00 C ATOM 0 H THR A 79 5.284 -9.627 -6.927 1.00 0.00 H new ATOM 0 HA THR A 79 6.231 -11.936 -5.287 1.00 0.00 H new ATOM 0 HB THR A 79 8.153 -10.597 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.879 -8.576 -6.559 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.030 -10.054 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.157 -11.604 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.385 -10.133 -7.797 1.00 0.00 H new ATOM 1176 N HIS A 80 4.300 -9.614 -4.429 1.00 0.00 N ATOM 1177 CA HIS A 80 3.515 -9.064 -3.337 1.00 0.00 C ATOM 1178 C HIS A 80 2.111 -8.718 -3.837 1.00 0.00 C ATOM 1179 O HIS A 80 1.907 -8.514 -5.032 1.00 0.00 O ATOM 1180 CB HIS A 80 4.229 -7.869 -2.702 1.00 0.00 C ATOM 1181 CG HIS A 80 5.666 -8.141 -2.326 1.00 0.00 C ATOM 1182 ND1 HIS A 80 6.686 -8.209 -3.259 1.00 0.00 N ATOM 1183 CD2 HIS A 80 6.243 -8.361 -1.109 1.00 0.00 C ATOM 1184 CE1 HIS A 80 7.820 -8.459 -2.623 1.00 0.00 C ATOM 1185 NE2 HIS A 80 7.544 -8.553 -1.290 1.00 0.00 N ATOM 0 H HIS A 80 3.958 -9.378 -5.361 1.00 0.00 H new ATOM 0 HA HIS A 80 3.409 -9.810 -2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.199 -7.030 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.682 -7.564 -1.810 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.582 -8.087 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.728 -8.376 -0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.793 -8.569 -3.079 1.00 0.00 H new ATOM 1193 N VAL A 81 1.180 -8.664 -2.896 1.00 0.00 N ATOM 1194 CA VAL A 81 -0.199 -8.347 -3.226 1.00 0.00 C ATOM 1195 C VAL A 81 -0.755 -7.367 -2.190 1.00 0.00 C ATOM 1196 O VAL A 81 -1.159 -7.773 -1.102 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.021 -9.633 -3.334 1.00 0.00 C ATOM 1198 CG1 VAL A 81 -2.520 -9.328 -3.321 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.633 -10.428 -4.581 1.00 0.00 C ATOM 0 H VAL A 81 1.353 -8.834 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.256 -7.859 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.797 -10.248 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.081 -10.259 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.781 -8.824 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.767 -8.683 -4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.232 -11.337 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.813 -9.823 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.423 -10.692 -4.530 1.00 0.00 H new ATOM 1209 N ILE A 82 -0.757 -6.096 -2.565 1.00 0.00 N ATOM 1210 CA ILE A 82 -1.256 -5.056 -1.682 1.00 0.00 C ATOM 1211 C ILE A 82 -2.782 -5.004 -1.774 1.00 0.00 C ATOM 1212 O ILE A 82 -3.332 -4.491 -2.748 1.00 0.00 O ATOM 1213 CB ILE A 82 -0.575 -3.721 -1.990 1.00 0.00 C ATOM 1214 CG1 ILE A 82 0.945 -3.879 -2.043 1.00 0.00 C ATOM 1215 CG2 ILE A 82 -1.004 -2.644 -0.991 1.00 0.00 C ATOM 1216 CD1 ILE A 82 1.603 -3.288 -0.795 1.00 0.00 C ATOM 0 H ILE A 82 -0.421 -5.763 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.007 -5.283 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.899 -3.393 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.201 -4.935 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.335 -3.384 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.506 -1.705 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.084 -2.506 -1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.728 -2.953 0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.684 -3.414 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.365 -2.227 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.230 -3.802 0.091 1.00 0.00 H new ATOM 1228 N VAL A 83 -3.423 -5.543 -0.747 1.00 0.00 N ATOM 1229 CA VAL A 83 -4.875 -5.564 -0.700 1.00 0.00 C ATOM 1230 C VAL A 83 -5.381 -4.252 -0.097 1.00 0.00 C ATOM 1231 O VAL A 83 -5.014 -3.896 1.022 1.00 0.00 O ATOM 1232 CB VAL A 83 -5.356 -6.798 0.067 1.00 0.00 C ATOM 1233 CG1 VAL A 83 -6.884 -6.877 0.077 1.00 0.00 C ATOM 1234 CG2 VAL A 83 -4.744 -8.075 -0.512 1.00 0.00 C ATOM 0 H VAL A 83 -2.964 -5.968 0.058 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.288 -5.641 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.020 -6.703 1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.199 -7.763 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.291 -5.987 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.252 -6.937 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.102 -8.937 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.036 -8.177 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.658 -8.022 -0.443 1.00 0.00 H new ATOM 1244 N GLY A 84 -6.216 -3.568 -0.866 1.00 0.00 N ATOM 1245 CA GLY A 84 -6.776 -2.303 -0.422 1.00 0.00 C ATOM 1246 C GLY A 84 -8.121 -2.513 0.276 1.00 0.00 C ATOM 1247 O GLY A 84 -8.358 -1.968 1.353 1.00 0.00 O ATOM 0 H GLY A 84 -6.518 -3.866 -1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.081 -1.813 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.906 -1.639 -1.276 1.00 0.00 H new ATOM 1251 N ASP A 85 -8.967 -3.306 -0.366 1.00 0.00 N ATOM 1252 CA ASP A 85 -10.282 -3.595 0.180 1.00 0.00 C ATOM 1253 C ASP A 85 -10.442 -5.108 0.340 1.00 0.00 C ATOM 1254 O ASP A 85 -10.896 -5.581 1.381 1.00 0.00 O ATOM 1255 CB ASP A 85 -11.387 -3.099 -0.754 1.00 0.00 C ATOM 1256 CG ASP A 85 -12.557 -2.400 -0.059 1.00 0.00 C ATOM 1257 OD1 ASP A 85 -12.390 -2.064 1.133 1.00 0.00 O ATOM 1258 OD2 ASP A 85 -13.592 -2.217 -0.735 1.00 0.00 O ATOM 0 H ASP A 85 -8.767 -3.757 -1.259 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.367 -3.087 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.949 -2.410 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.774 -3.948 -1.317 1.00 0.00 H new ATOM 1263 N TYR A 86 -10.059 -5.825 -0.706 1.00 0.00 N ATOM 1264 CA TYR A 86 -10.154 -7.275 -0.695 1.00 0.00 C ATOM 1265 C TYR A 86 -9.318 -7.888 -1.820 1.00 0.00 C ATOM 1266 O TYR A 86 -9.081 -7.246 -2.843 1.00 0.00 O ATOM 1267 CB TYR A 86 -11.629 -7.603 -0.935 1.00 0.00 C ATOM 1268 CG TYR A 86 -12.260 -6.824 -2.091 1.00 0.00 C ATOM 1269 CD1 TYR A 86 -11.933 -7.137 -3.394 1.00 0.00 C ATOM 1270 CD2 TYR A 86 -13.155 -5.807 -1.829 1.00 0.00 C ATOM 1271 CE1 TYR A 86 -12.527 -6.404 -4.482 1.00 0.00 C ATOM 1272 CE2 TYR A 86 -13.749 -5.073 -2.917 1.00 0.00 C ATOM 1273 CZ TYR A 86 -13.405 -5.408 -4.190 1.00 0.00 C ATOM 1274 OH TYR A 86 -13.966 -4.715 -5.217 1.00 0.00 O ATOM 0 H TYR A 86 -9.682 -5.429 -1.567 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.785 -7.676 0.249 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.725 -8.670 -1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -12.189 -7.397 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.231 -7.932 -3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.410 -5.561 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.281 -6.640 -5.507 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -14.451 -4.275 -2.726 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.574 -4.035 -4.859 1.00 0.00 H new ATOM 1284 N ASP A 87 -8.894 -9.123 -1.594 1.00 0.00 N ATOM 1285 CA ASP A 87 -8.089 -9.829 -2.576 1.00 0.00 C ATOM 1286 C ASP A 87 -8.894 -11.001 -3.140 1.00 0.00 C ATOM 1287 O ASP A 87 -8.782 -12.127 -2.656 1.00 0.00 O ATOM 1288 CB ASP A 87 -6.816 -10.393 -1.942 1.00 0.00 C ATOM 1289 CG ASP A 87 -6.914 -10.685 -0.443 1.00 0.00 C ATOM 1290 OD1 ASP A 87 -7.292 -9.749 0.294 1.00 0.00 O ATOM 1291 OD2 ASP A 87 -6.608 -11.837 -0.068 1.00 0.00 O ATOM 0 H ASP A 87 -9.093 -9.653 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.819 -9.123 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.548 -11.314 -2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.002 -9.687 -2.107 1.00 0.00 H new ATOM 1296 N ASP A 88 -9.688 -10.697 -4.156 1.00 0.00 N ATOM 1297 CA ASP A 88 -10.512 -11.712 -4.792 1.00 0.00 C ATOM 1298 C ASP A 88 -9.761 -12.294 -5.991 1.00 0.00 C ATOM 1299 O ASP A 88 -9.618 -13.511 -6.106 1.00 0.00 O ATOM 1300 CB ASP A 88 -11.826 -11.115 -5.301 1.00 0.00 C ATOM 1301 CG ASP A 88 -12.762 -10.589 -4.212 1.00 0.00 C ATOM 1302 OD1 ASP A 88 -12.528 -10.951 -3.038 1.00 0.00 O ATOM 1303 OD2 ASP A 88 -13.691 -9.836 -4.576 1.00 0.00 O ATOM 0 H ASP A 88 -9.779 -9.763 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.729 -12.483 -4.053 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.596 -10.299 -5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.354 -11.875 -5.877 1.00 0.00 H new ATOM 1308 N GLU A 89 -9.303 -11.399 -6.853 1.00 0.00 N ATOM 1309 CA GLU A 89 -8.571 -11.809 -8.039 1.00 0.00 C ATOM 1310 C GLU A 89 -7.667 -13.002 -7.719 1.00 0.00 C ATOM 1311 O GLU A 89 -7.497 -13.896 -8.547 1.00 0.00 O ATOM 1312 CB GLU A 89 -7.760 -10.646 -8.613 1.00 0.00 C ATOM 1313 CG GLU A 89 -7.940 -10.546 -10.129 1.00 0.00 C ATOM 1314 CD GLU A 89 -7.964 -9.085 -10.583 1.00 0.00 C ATOM 1315 OE1 GLU A 89 -8.691 -8.301 -9.935 1.00 0.00 O ATOM 1316 OE2 GLU A 89 -7.256 -8.785 -11.568 1.00 0.00 O ATOM 0 H GLU A 89 -9.425 -10.391 -6.754 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.291 -12.116 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.073 -9.713 -8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.705 -10.783 -8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.129 -11.073 -10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.868 -11.037 -10.422 1.00 0.00 H new ATOM 1323 N LEU A 90 -7.112 -12.978 -6.517 1.00 0.00 N ATOM 1324 CA LEU A 90 -6.231 -14.046 -6.077 1.00 0.00 C ATOM 1325 C LEU A 90 -6.915 -15.394 -6.311 1.00 0.00 C ATOM 1326 O LEU A 90 -6.337 -16.289 -6.926 1.00 0.00 O ATOM 1327 CB LEU A 90 -5.796 -13.819 -4.628 1.00 0.00 C ATOM 1328 CG LEU A 90 -4.495 -13.039 -4.432 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -3.362 -13.645 -5.263 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -4.696 -11.553 -4.734 1.00 0.00 C ATOM 0 H LEU A 90 -7.255 -12.235 -5.833 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.312 -14.049 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.595 -13.290 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.690 -14.790 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.204 -13.118 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.448 -13.072 -5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.199 -14.678 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.630 -13.617 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.756 -11.021 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.023 -11.433 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.452 -11.145 -4.064 1.00 0.00 H new ATOM 1342 N LYS A 91 -8.136 -15.497 -5.807 1.00 0.00 N ATOM 1343 CA LYS A 91 -8.905 -16.722 -5.952 1.00 0.00 C ATOM 1344 C LYS A 91 -8.664 -17.307 -7.345 1.00 0.00 C ATOM 1345 O LYS A 91 -8.287 -18.471 -7.477 1.00 0.00 O ATOM 1346 CB LYS A 91 -10.381 -16.468 -5.639 1.00 0.00 C ATOM 1347 CG LYS A 91 -10.698 -16.806 -4.181 1.00 0.00 C ATOM 1348 CD LYS A 91 -12.195 -16.670 -3.899 1.00 0.00 C ATOM 1349 CE LYS A 91 -12.476 -16.702 -2.396 1.00 0.00 C ATOM 1350 NZ LYS A 91 -13.474 -17.747 -2.076 1.00 0.00 N ATOM 0 H LYS A 91 -8.612 -14.752 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.574 -17.468 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.624 -15.424 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.005 -17.070 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.374 -17.823 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.138 -16.144 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.565 -15.736 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.736 -17.478 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.552 -16.895 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.842 -15.729 -2.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.653 -17.754 -1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.361 -17.546 -2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.111 -18.676 -2.371 1.00 0.00 H new ATOM 1364 N GLN A 92 -8.891 -16.474 -8.350 1.00 0.00 N ATOM 1365 CA GLN A 92 -8.703 -16.894 -9.728 1.00 0.00 C ATOM 1366 C GLN A 92 -7.283 -17.426 -9.932 1.00 0.00 C ATOM 1367 O GLN A 92 -7.098 -18.547 -10.402 1.00 0.00 O ATOM 1368 CB GLN A 92 -9.004 -15.749 -10.697 1.00 0.00 C ATOM 1369 CG GLN A 92 -10.395 -15.165 -10.441 1.00 0.00 C ATOM 1370 CD GLN A 92 -11.364 -15.545 -11.563 1.00 0.00 C ATOM 1371 OE1 GLN A 92 -11.077 -16.371 -12.413 1.00 0.00 O ATOM 1372 NE2 GLN A 92 -12.524 -14.896 -11.518 1.00 0.00 N ATOM 0 H GLN A 92 -9.204 -15.510 -8.237 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.406 -17.700 -9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -8.252 -14.968 -10.587 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.941 -16.110 -11.723 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.776 -15.529 -9.487 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.329 -14.080 -10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.700 -14.216 -10.778 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.238 -15.078 -12.223 1.00 0.00 H new ATOM 1381 N PHE A 93 -6.317 -16.595 -9.569 1.00 0.00 N ATOM 1382 CA PHE A 93 -4.919 -16.968 -9.706 1.00 0.00 C ATOM 1383 C PHE A 93 -4.618 -18.258 -8.941 1.00 0.00 C ATOM 1384 O PHE A 93 -3.927 -19.140 -9.450 1.00 0.00 O ATOM 1385 CB PHE A 93 -4.092 -15.829 -9.107 1.00 0.00 C ATOM 1386 CG PHE A 93 -2.597 -16.137 -8.996 1.00 0.00 C ATOM 1387 CD1 PHE A 93 -1.918 -16.608 -10.077 1.00 0.00 C ATOM 1388 CD2 PHE A 93 -1.947 -15.939 -7.818 1.00 0.00 C ATOM 1389 CE1 PHE A 93 -0.531 -16.893 -9.974 1.00 0.00 C ATOM 1390 CE2 PHE A 93 -0.560 -16.225 -7.716 1.00 0.00 C ATOM 1391 CZ PHE A 93 0.119 -16.696 -8.796 1.00 0.00 C ATOM 0 H PHE A 93 -6.475 -15.665 -9.180 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.680 -17.136 -10.756 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.224 -14.937 -9.719 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -4.479 -15.595 -8.115 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.434 -16.765 -11.013 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.486 -15.564 -6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.008 -17.267 -10.832 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.044 -16.068 -6.780 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.174 -16.913 -8.718 1.00 0.00 H new ATOM 1401 N TRP A 94 -5.150 -18.328 -7.729 1.00 0.00 N ATOM 1402 CA TRP A 94 -4.947 -19.496 -6.889 1.00 0.00 C ATOM 1403 C TRP A 94 -5.599 -20.695 -7.580 1.00 0.00 C ATOM 1404 O TRP A 94 -5.178 -21.834 -7.383 1.00 0.00 O ATOM 1405 CB TRP A 94 -5.484 -19.255 -5.477 1.00 0.00 C ATOM 1406 CG TRP A 94 -4.605 -18.336 -4.625 1.00 0.00 C ATOM 1407 CD1 TRP A 94 -3.268 -18.258 -4.607 1.00 0.00 C ATOM 1408 CD2 TRP A 94 -5.060 -17.361 -3.663 1.00 0.00 C ATOM 1409 NE1 TRP A 94 -2.829 -17.308 -3.707 1.00 0.00 N ATOM 1410 CE2 TRP A 94 -3.953 -16.745 -3.115 1.00 0.00 C ATOM 1411 CE3 TRP A 94 -6.363 -17.011 -3.270 1.00 0.00 C ATOM 1412 CZ2 TRP A 94 -4.037 -15.742 -2.142 1.00 0.00 C ATOM 1413 CZ3 TRP A 94 -6.430 -16.007 -2.296 1.00 0.00 C ATOM 1414 CH2 TRP A 94 -5.326 -15.377 -1.734 1.00 0.00 C ATOM 0 H TRP A 94 -5.721 -17.595 -7.309 1.00 0.00 H new ATOM 0 HA TRP A 94 -3.884 -19.702 -6.765 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.482 -18.823 -5.548 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -5.587 -20.214 -4.970 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -2.615 -18.862 -5.220 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.858 -17.064 -3.512 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -7.243 -17.479 -3.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -3.155 -15.275 -1.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.409 -15.701 -1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -5.462 -14.610 -0.986 1.00 0.00 H new ATOM 1425 N ASN A 95 -6.617 -20.398 -8.375 1.00 0.00 N ATOM 1426 CA ASN A 95 -7.331 -21.438 -9.096 1.00 0.00 C ATOM 1427 C ASN A 95 -6.559 -21.793 -10.368 1.00 0.00 C ATOM 1428 O ASN A 95 -6.878 -22.774 -11.038 1.00 0.00 O ATOM 1429 CB ASN A 95 -8.727 -20.963 -9.507 1.00 0.00 C ATOM 1430 CG ASN A 95 -9.813 -21.790 -8.816 1.00 0.00 C ATOM 1431 OD1 ASN A 95 -10.137 -21.592 -7.657 1.00 0.00 O ATOM 1432 ND2 ASN A 95 -10.355 -22.725 -9.591 1.00 0.00 N ATOM 0 H ASN A 95 -6.964 -19.452 -8.535 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.423 -22.303 -8.439 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.847 -19.911 -9.250 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.838 -21.041 -10.588 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.089 -23.330 -9.223 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.037 -22.837 -10.554 1.00 0.00 H new ATOM 1439 N LYS A 96 -5.558 -20.976 -10.661 1.00 0.00 N ATOM 1440 CA LYS A 96 -4.737 -21.193 -11.841 1.00 0.00 C ATOM 1441 C LYS A 96 -3.412 -21.832 -11.425 1.00 0.00 C ATOM 1442 O LYS A 96 -3.258 -23.051 -11.493 1.00 0.00 O ATOM 1443 CB LYS A 96 -4.572 -19.889 -12.625 1.00 0.00 C ATOM 1444 CG LYS A 96 -5.929 -19.339 -13.068 1.00 0.00 C ATOM 1445 CD LYS A 96 -5.887 -18.886 -14.529 1.00 0.00 C ATOM 1446 CE LYS A 96 -5.888 -20.087 -15.476 1.00 0.00 C ATOM 1447 NZ LYS A 96 -4.804 -19.960 -16.476 1.00 0.00 N ATOM 0 H LYS A 96 -5.297 -20.163 -10.103 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.226 -21.889 -12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.061 -19.151 -12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.944 -20.063 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.694 -20.105 -12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.211 -18.500 -12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.747 -18.250 -14.741 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.995 -18.284 -14.701 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.759 -21.007 -14.906 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.851 -20.158 -15.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.819 -20.784 -17.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.944 -19.092 -17.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.886 -19.915 -15.989 1.00 0.00 H new ATOM 1461 N SER A 97 -2.488 -20.982 -11.003 1.00 0.00 N ATOM 1462 CA SER A 97 -1.180 -21.449 -10.575 1.00 0.00 C ATOM 1463 C SER A 97 -1.156 -21.620 -9.055 1.00 0.00 C ATOM 1464 O SER A 97 -1.959 -21.015 -8.346 1.00 0.00 O ATOM 1465 CB SER A 97 -0.078 -20.483 -11.017 1.00 0.00 C ATOM 1466 OG SER A 97 0.085 -20.472 -12.433 1.00 0.00 O ATOM 0 H SER A 97 -2.619 -19.972 -10.948 1.00 0.00 H new ATOM 0 HA SER A 97 -0.991 -22.414 -11.046 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.317 -19.477 -10.672 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.863 -20.766 -10.546 1.00 0.00 H new ATOM 0 HG SER A 97 0.796 -19.842 -12.676 1.00 0.00 H new ATOM 1472 N ALA A 98 -0.228 -22.448 -8.599 1.00 0.00 N ATOM 1473 CA ALA A 98 -0.089 -22.706 -7.176 1.00 0.00 C ATOM 1474 C ALA A 98 1.023 -21.823 -6.607 1.00 0.00 C ATOM 1475 O ALA A 98 2.203 -22.149 -6.729 1.00 0.00 O ATOM 1476 CB ALA A 98 0.177 -24.196 -6.951 1.00 0.00 C ATOM 0 H ALA A 98 0.435 -22.949 -9.190 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.010 -22.456 -6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.281 -24.390 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.656 -24.778 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.095 -24.483 -7.463 1.00 0.00 H new ATOM 1482 N HIS A 99 0.608 -20.722 -5.998 1.00 0.00 N ATOM 1483 CA HIS A 99 1.555 -19.789 -5.411 1.00 0.00 C ATOM 1484 C HIS A 99 0.868 -18.993 -4.299 1.00 0.00 C ATOM 1485 O HIS A 99 -0.335 -18.745 -4.360 1.00 0.00 O ATOM 1486 CB HIS A 99 2.174 -18.894 -6.486 1.00 0.00 C ATOM 1487 CG HIS A 99 2.947 -17.719 -5.936 1.00 0.00 C ATOM 1488 ND1 HIS A 99 4.061 -17.866 -5.129 1.00 0.00 N ATOM 1489 CD2 HIS A 99 2.754 -16.377 -6.086 1.00 0.00 C ATOM 1490 CE1 HIS A 99 4.511 -16.660 -4.813 1.00 0.00 C ATOM 1491 NE2 HIS A 99 3.699 -15.739 -5.407 1.00 0.00 N ATOM 0 H HIS A 99 -0.371 -20.455 -5.898 1.00 0.00 H new ATOM 0 HA HIS A 99 2.381 -20.339 -4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 99 2.839 -19.495 -7.106 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.381 -18.523 -7.136 1.00 0.00 H new ATOM 0 HD1 HIS A 99 4.467 -18.752 -4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 99 1.966 -15.913 -6.660 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.369 -16.445 -4.194 1.00 0.00 H new ATOM 1499 N ARG A 100 1.663 -18.614 -3.309 1.00 0.00 N ATOM 1500 CA ARG A 100 1.147 -17.851 -2.185 1.00 0.00 C ATOM 1501 C ARG A 100 1.952 -16.563 -2.004 1.00 0.00 C ATOM 1502 O ARG A 100 2.951 -16.547 -1.287 1.00 0.00 O ATOM 1503 CB ARG A 100 1.205 -18.667 -0.892 1.00 0.00 C ATOM 1504 CG ARG A 100 0.041 -18.310 0.034 1.00 0.00 C ATOM 1505 CD ARG A 100 -1.277 -18.876 -0.498 1.00 0.00 C ATOM 1506 NE ARG A 100 -1.387 -20.312 -0.154 1.00 0.00 N ATOM 1507 CZ ARG A 100 -2.316 -21.136 -0.657 1.00 0.00 C ATOM 1508 NH1 ARG A 100 -3.222 -20.672 -1.528 1.00 0.00 N ATOM 1509 NH2 ARG A 100 -2.339 -22.424 -0.288 1.00 0.00 N ATOM 0 H ARG A 100 2.661 -18.821 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 100 0.107 -17.606 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.174 -19.731 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 100 2.150 -18.481 -0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.233 -18.703 1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.035 -17.227 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.116 -18.326 -0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.327 -18.748 -1.579 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.713 -20.698 0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.205 -19.691 -1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.929 -21.299 -1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.649 -22.777 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.046 -23.052 -0.671 1.00 0.00 H new ATOM 1523 N PRO A 101 1.475 -15.486 -2.684 1.00 0.00 N ATOM 1524 CA PRO A 101 2.139 -14.196 -2.605 1.00 0.00 C ATOM 1525 C PRO A 101 1.859 -13.517 -1.263 1.00 0.00 C ATOM 1526 O PRO A 101 0.970 -13.936 -0.524 1.00 0.00 O ATOM 1527 CB PRO A 101 1.610 -13.408 -3.792 1.00 0.00 C ATOM 1528 CG PRO A 101 0.331 -14.108 -4.221 1.00 0.00 C ATOM 1529 CD PRO A 101 0.294 -15.468 -3.543 1.00 0.00 C ATOM 0 HA PRO A 101 3.225 -14.278 -2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.414 -12.372 -3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.337 -13.390 -4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.541 -13.517 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.303 -14.221 -5.305 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.620 -15.597 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.324 -16.276 -4.274 1.00 0.00 H new ATOM 1537 N HIS A 102 2.635 -12.478 -0.989 1.00 0.00 N ATOM 1538 CA HIS A 102 2.481 -11.736 0.251 1.00 0.00 C ATOM 1539 C HIS A 102 1.282 -10.793 0.140 1.00 0.00 C ATOM 1540 O HIS A 102 1.376 -9.733 -0.477 1.00 0.00 O ATOM 1541 CB HIS A 102 3.777 -11.008 0.612 1.00 0.00 C ATOM 1542 CG HIS A 102 5.020 -11.850 0.452 1.00 0.00 C ATOM 1543 ND1 HIS A 102 6.161 -11.627 -0.261 1.00 0.00 N flip ATOM 1544 CD2 HIS A 102 5.178 -13.079 1.068 1.00 0.00 C flip ATOM 1545 CE1 HIS A 102 6.973 -12.663 -0.089 1.00 0.00 C flip ATOM 1546 NE2 HIS A 102 6.365 -13.565 0.735 1.00 0.00 N flip ATOM 0 H HIS A 102 3.372 -12.133 -1.604 1.00 0.00 H new ATOM 0 HA HIS A 102 2.280 -12.427 1.070 1.00 0.00 H new ATOM 0 HB2 HIS A 102 3.869 -10.120 -0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.713 -10.665 1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 102 4.456 -13.560 1.711 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.953 -12.774 -0.529 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.755 -14.456 1.041 1.00 0.00 H new ATOM 1554 N VAL A 103 0.181 -11.213 0.746 1.00 0.00 N ATOM 1555 CA VAL A 103 -1.036 -10.419 0.723 1.00 0.00 C ATOM 1556 C VAL A 103 -1.049 -9.479 1.930 1.00 0.00 C ATOM 1557 O VAL A 103 -1.434 -9.878 3.028 1.00 0.00 O ATOM 1558 CB VAL A 103 -2.259 -11.336 0.666 1.00 0.00 C ATOM 1559 CG1 VAL A 103 -3.555 -10.526 0.724 1.00 0.00 C ATOM 1560 CG2 VAL A 103 -2.221 -12.224 -0.580 1.00 0.00 C ATOM 0 H VAL A 103 0.106 -12.093 1.256 1.00 0.00 H new ATOM 0 HA VAL A 103 -1.070 -9.799 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.232 -11.986 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.409 -11.202 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -3.588 -9.958 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.593 -9.840 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.102 -12.866 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.212 -11.598 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.323 -12.841 -0.560 1.00 0.00 H new ATOM 1570 N VAL A 104 -0.624 -8.248 1.685 1.00 0.00 N ATOM 1571 CA VAL A 104 -0.582 -7.247 2.738 1.00 0.00 C ATOM 1572 C VAL A 104 -1.380 -6.018 2.300 1.00 0.00 C ATOM 1573 O VAL A 104 -1.906 -5.978 1.189 1.00 0.00 O ATOM 1574 CB VAL A 104 0.870 -6.922 3.094 1.00 0.00 C ATOM 1575 CG1 VAL A 104 1.593 -8.159 3.632 1.00 0.00 C ATOM 1576 CG2 VAL A 104 1.610 -6.334 1.891 1.00 0.00 C ATOM 0 H VAL A 104 -0.306 -7.921 0.773 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.047 -7.629 3.647 1.00 0.00 H new ATOM 0 HB VAL A 104 0.862 -6.170 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.623 -7.900 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.085 -8.516 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.586 -8.943 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.640 -6.112 2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.603 -7.054 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.115 -5.417 1.572 1.00 0.00 H new ATOM 1586 N GLY A 105 -1.445 -5.044 3.196 1.00 0.00 N ATOM 1587 CA GLY A 105 -2.170 -3.816 2.915 1.00 0.00 C ATOM 1588 C GLY A 105 -1.207 -2.669 2.605 1.00 0.00 C ATOM 1589 O GLY A 105 -0.076 -2.655 3.089 1.00 0.00 O ATOM 0 H GLY A 105 -1.008 -5.080 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.841 -3.971 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.791 -3.552 3.771 1.00 0.00 H new ATOM 1593 N ALA A 106 -1.690 -1.735 1.800 1.00 0.00 N ATOM 1594 CA ALA A 106 -0.885 -0.586 1.419 1.00 0.00 C ATOM 1595 C ALA A 106 -0.136 -0.064 2.647 1.00 0.00 C ATOM 1596 O ALA A 106 1.016 0.354 2.544 1.00 0.00 O ATOM 1597 CB ALA A 106 -1.783 0.479 0.787 1.00 0.00 C ATOM 0 H ALA A 106 -2.628 -1.750 1.401 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.141 -0.868 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.180 1.341 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.269 0.067 -0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.541 0.789 1.506 1.00 0.00 H new ATOM 1603 N LYS A 107 -0.822 -0.105 3.780 1.00 0.00 N ATOM 1604 CA LYS A 107 -0.236 0.359 5.026 1.00 0.00 C ATOM 1605 C LYS A 107 1.237 -0.053 5.077 1.00 0.00 C ATOM 1606 O LYS A 107 2.104 0.766 5.379 1.00 0.00 O ATOM 1607 CB LYS A 107 -1.054 -0.136 6.220 1.00 0.00 C ATOM 1608 CG LYS A 107 -0.671 0.615 7.497 1.00 0.00 C ATOM 1609 CD LYS A 107 -1.866 0.726 8.446 1.00 0.00 C ATOM 1610 CE LYS A 107 -1.517 1.578 9.669 1.00 0.00 C ATOM 1611 NZ LYS A 107 -2.674 2.409 10.069 1.00 0.00 N ATOM 0 H LYS A 107 -1.778 -0.452 3.861 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.265 1.447 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.117 0.000 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.890 -1.205 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.148 0.097 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.310 1.612 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.713 1.167 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.174 -0.269 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.222 0.933 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.664 2.217 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.345 3.204 10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.147 2.777 9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.344 1.831 10.616 1.00 0.00 H new ATOM 1625 N TRP A 108 1.474 -1.321 4.777 1.00 0.00 N ATOM 1626 CA TRP A 108 2.827 -1.852 4.784 1.00 0.00 C ATOM 1627 C TRP A 108 3.696 -0.943 3.912 1.00 0.00 C ATOM 1628 O TRP A 108 4.585 -0.258 4.416 1.00 0.00 O ATOM 1629 CB TRP A 108 2.846 -3.313 4.330 1.00 0.00 C ATOM 1630 CG TRP A 108 4.245 -3.852 4.026 1.00 0.00 C ATOM 1631 CD1 TRP A 108 5.192 -4.225 4.897 1.00 0.00 C ATOM 1632 CD2 TRP A 108 4.819 -4.066 2.719 1.00 0.00 C ATOM 1633 NE1 TRP A 108 6.331 -4.661 4.250 1.00 0.00 N ATOM 1634 CE2 TRP A 108 6.096 -4.561 2.884 1.00 0.00 C ATOM 1635 CE3 TRP A 108 4.277 -3.848 1.441 1.00 0.00 C ATOM 1636 CZ2 TRP A 108 6.939 -4.880 1.812 1.00 0.00 C ATOM 1637 CZ3 TRP A 108 5.131 -4.172 0.380 1.00 0.00 C ATOM 1638 CH2 TRP A 108 6.420 -4.671 0.529 1.00 0.00 C ATOM 0 H TRP A 108 0.752 -1.997 4.527 1.00 0.00 H new ATOM 0 HA TRP A 108 3.234 -1.857 5.795 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.391 -3.930 5.105 1.00 0.00 H new ATOM 0 HB3 TRP A 108 2.227 -3.414 3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 108 5.079 -4.189 5.970 1.00 0.00 H new ATOM 0 HE1 TRP A 108 7.187 -4.995 4.693 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.280 -3.461 1.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 7.936 -5.266 1.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.763 -4.024 -0.624 1.00 0.00 H new ATOM 0 HH2 TRP A 108 7.018 -4.896 -0.341 1.00 0.00 H new ATOM 1649 N LEU A 109 3.408 -0.967 2.619 1.00 0.00 N ATOM 1650 CA LEU A 109 4.152 -0.154 1.672 1.00 0.00 C ATOM 1651 C LEU A 109 4.427 1.218 2.290 1.00 0.00 C ATOM 1652 O LEU A 109 5.581 1.618 2.436 1.00 0.00 O ATOM 1653 CB LEU A 109 3.420 -0.089 0.330 1.00 0.00 C ATOM 1654 CG LEU A 109 4.284 0.234 -0.891 1.00 0.00 C ATOM 1655 CD1 LEU A 109 5.529 -0.654 -0.932 1.00 0.00 C ATOM 1656 CD2 LEU A 109 3.468 0.137 -2.181 1.00 0.00 C ATOM 0 H LEU A 109 2.670 -1.536 2.205 1.00 0.00 H new ATOM 0 HA LEU A 109 5.120 -0.608 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.929 -1.047 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.634 0.663 0.403 1.00 0.00 H new ATOM 0 HG LEU A 109 4.627 1.265 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.126 -0.404 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 109 6.122 -0.491 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.228 -1.700 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.106 0.371 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.076 -0.874 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.640 0.845 -2.142 1.00 0.00 H new ATOM 1668 N LEU A 110 3.347 1.903 2.636 1.00 0.00 N ATOM 1669 CA LEU A 110 3.457 3.222 3.235 1.00 0.00 C ATOM 1670 C LEU A 110 4.625 3.233 4.223 1.00 0.00 C ATOM 1671 O LEU A 110 5.588 3.976 4.043 1.00 0.00 O ATOM 1672 CB LEU A 110 2.123 3.642 3.855 1.00 0.00 C ATOM 1673 CG LEU A 110 0.901 3.563 2.937 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -0.343 4.120 3.630 1.00 0.00 C ATOM 1675 CD2 LEU A 110 1.174 4.258 1.602 1.00 0.00 C ATOM 0 H LEU A 110 2.391 1.569 2.513 1.00 0.00 H new ATOM 0 HA LEU A 110 3.677 3.969 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.938 3.016 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.218 4.667 4.213 1.00 0.00 H new ATOM 0 HG LEU A 110 0.704 2.513 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.197 4.052 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.546 3.543 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.174 5.163 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.290 4.188 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.411 5.307 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.016 3.775 1.106 1.00 0.00 H new ATOM 1687 N GLU A 111 4.500 2.400 5.247 1.00 0.00 N ATOM 1688 CA GLU A 111 5.534 2.305 6.264 1.00 0.00 C ATOM 1689 C GLU A 111 6.885 1.988 5.619 1.00 0.00 C ATOM 1690 O GLU A 111 7.907 2.556 6.001 1.00 0.00 O ATOM 1691 CB GLU A 111 5.170 1.257 7.318 1.00 0.00 C ATOM 1692 CG GLU A 111 3.754 1.484 7.850 1.00 0.00 C ATOM 1693 CD GLU A 111 3.782 1.913 9.319 1.00 0.00 C ATOM 1694 OE1 GLU A 111 4.378 2.978 9.587 1.00 0.00 O ATOM 1695 OE2 GLU A 111 3.206 1.166 10.139 1.00 0.00 O ATOM 0 H GLU A 111 3.699 1.786 5.394 1.00 0.00 H new ATOM 0 HA GLU A 111 5.611 3.268 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.244 0.259 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.883 1.301 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 111 3.256 2.248 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.171 0.569 7.746 1.00 0.00 H new ATOM 1702 N CYS A 112 6.846 1.082 4.653 1.00 0.00 N ATOM 1703 CA CYS A 112 8.055 0.683 3.952 1.00 0.00 C ATOM 1704 C CYS A 112 8.756 1.946 3.447 1.00 0.00 C ATOM 1705 O CYS A 112 9.948 2.134 3.683 1.00 0.00 O ATOM 1706 CB CYS A 112 7.752 -0.295 2.815 1.00 0.00 C ATOM 1707 SG CYS A 112 6.767 -1.702 3.446 1.00 0.00 S ATOM 0 H CYS A 112 5.996 0.613 4.339 1.00 0.00 H new ATOM 0 HA CYS A 112 8.716 0.150 4.635 1.00 0.00 H new ATOM 0 HB2 CYS A 112 7.206 0.215 2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 112 8.683 -0.658 2.379 1.00 0.00 H new ATOM 0 HG CYS A 112 6.830 -2.689 2.602 1.00 0.00 H new ATOM 1713 N PHE A 113 7.986 2.778 2.762 1.00 0.00 N ATOM 1714 CA PHE A 113 8.519 4.017 2.221 1.00 0.00 C ATOM 1715 C PHE A 113 8.789 5.030 3.336 1.00 0.00 C ATOM 1716 O PHE A 113 9.830 5.684 3.346 1.00 0.00 O ATOM 1717 CB PHE A 113 7.457 4.586 1.277 1.00 0.00 C ATOM 1718 CG PHE A 113 7.516 4.016 -0.141 1.00 0.00 C ATOM 1719 CD1 PHE A 113 8.345 4.573 -1.064 1.00 0.00 C ATOM 1720 CD2 PHE A 113 6.739 2.953 -0.479 1.00 0.00 C ATOM 1721 CE1 PHE A 113 8.400 4.043 -2.381 1.00 0.00 C ATOM 1722 CE2 PHE A 113 6.793 2.423 -1.796 1.00 0.00 C ATOM 1723 CZ PHE A 113 7.622 2.980 -2.719 1.00 0.00 C ATOM 0 H PHE A 113 6.997 2.619 2.569 1.00 0.00 H new ATOM 0 HA PHE A 113 9.460 3.824 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.470 4.389 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.572 5.669 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.962 5.418 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.080 2.511 0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 113 9.060 4.484 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 113 6.176 1.578 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 113 7.663 2.578 -3.721 1.00 0.00 H new ATOM 1733 N SER A 114 7.832 5.128 4.248 1.00 0.00 N ATOM 1734 CA SER A 114 7.954 6.050 5.364 1.00 0.00 C ATOM 1735 C SER A 114 9.237 5.759 6.145 1.00 0.00 C ATOM 1736 O SER A 114 9.920 6.681 6.589 1.00 0.00 O ATOM 1737 CB SER A 114 6.738 5.959 6.288 1.00 0.00 C ATOM 1738 OG SER A 114 6.737 6.990 7.271 1.00 0.00 O ATOM 0 H SER A 114 6.969 4.584 4.236 1.00 0.00 H new ATOM 0 HA SER A 114 8.000 7.064 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.826 6.023 5.694 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.730 4.987 6.782 1.00 0.00 H new ATOM 0 HG SER A 114 5.944 6.899 7.840 1.00 0.00 H new ATOM 1744 N LYS A 115 9.526 4.474 6.289 1.00 0.00 N ATOM 1745 CA LYS A 115 10.715 4.051 7.009 1.00 0.00 C ATOM 1746 C LYS A 115 11.930 4.154 6.085 1.00 0.00 C ATOM 1747 O LYS A 115 13.058 4.308 6.551 1.00 0.00 O ATOM 1748 CB LYS A 115 10.513 2.656 7.605 1.00 0.00 C ATOM 1749 CG LYS A 115 9.155 2.549 8.302 1.00 0.00 C ATOM 1750 CD LYS A 115 9.321 2.516 9.823 1.00 0.00 C ATOM 1751 CE LYS A 115 8.685 1.258 10.417 1.00 0.00 C ATOM 1752 NZ LYS A 115 8.748 1.293 11.895 1.00 0.00 N ATOM 0 H LYS A 115 8.957 3.712 5.919 1.00 0.00 H new ATOM 0 HA LYS A 115 10.901 4.711 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.581 1.906 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.309 2.442 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.529 3.395 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.641 1.647 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.380 2.547 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.862 3.402 10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.647 1.181 10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.201 0.373 10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.312 0.432 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.741 1.345 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.235 2.127 12.245 1.00 0.00 H new ATOM 1766 N GLY A 116 11.658 4.066 4.791 1.00 0.00 N ATOM 1767 CA GLY A 116 12.714 4.148 3.797 1.00 0.00 C ATOM 1768 C GLY A 116 13.202 2.754 3.399 1.00 0.00 C ATOM 1769 O GLY A 116 13.943 2.605 2.429 1.00 0.00 O ATOM 0 H GLY A 116 10.721 3.939 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.348 4.675 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.547 4.729 4.193 1.00 0.00 H new ATOM 1773 N TYR A 117 12.766 1.767 4.169 1.00 0.00 N ATOM 1774 CA TYR A 117 13.149 0.390 3.908 1.00 0.00 C ATOM 1775 C TYR A 117 11.964 -0.556 4.112 1.00 0.00 C ATOM 1776 O TYR A 117 11.100 -0.304 4.951 1.00 0.00 O ATOM 1777 CB TYR A 117 14.236 0.054 4.931 1.00 0.00 C ATOM 1778 CG TYR A 117 13.696 -0.333 6.309 1.00 0.00 C ATOM 1779 CD1 TYR A 117 13.424 0.645 7.243 1.00 0.00 C ATOM 1780 CD2 TYR A 117 13.481 -1.661 6.617 1.00 0.00 C ATOM 1781 CE1 TYR A 117 12.916 0.280 8.541 1.00 0.00 C ATOM 1782 CE2 TYR A 117 12.973 -2.026 7.914 1.00 0.00 C ATOM 1783 CZ TYR A 117 12.715 -1.038 8.812 1.00 0.00 C ATOM 1784 OH TYR A 117 12.235 -1.382 10.037 1.00 0.00 O ATOM 0 H TYR A 117 12.152 1.894 4.973 1.00 0.00 H new ATOM 0 HA TYR A 117 13.492 0.275 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 117 14.842 -0.766 4.546 1.00 0.00 H new ATOM 0 HB3 TYR A 117 14.897 0.914 5.040 1.00 0.00 H new ATOM 0 HD1 TYR A 117 13.592 1.684 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 117 13.694 -2.426 5.885 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.700 1.035 9.282 1.00 0.00 H new ATOM 0 HE2 TYR A 117 12.801 -3.061 8.168 1.00 0.00 H new ATOM 0 HH TYR A 117 12.140 -2.356 10.089 1.00 0.00 H new ATOM 1794 N MET A 118 11.961 -1.626 3.331 1.00 0.00 N ATOM 1795 CA MET A 118 10.897 -2.612 3.415 1.00 0.00 C ATOM 1796 C MET A 118 10.827 -3.226 4.815 1.00 0.00 C ATOM 1797 O MET A 118 11.857 -3.538 5.411 1.00 0.00 O ATOM 1798 CB MET A 118 11.140 -3.716 2.384 1.00 0.00 C ATOM 1799 CG MET A 118 10.974 -3.182 0.960 1.00 0.00 C ATOM 1800 SD MET A 118 11.690 -4.326 -0.208 1.00 0.00 S ATOM 1801 CE MET A 118 10.335 -5.474 -0.388 1.00 0.00 C ATOM 0 H MET A 118 12.679 -1.832 2.636 1.00 0.00 H new ATOM 0 HA MET A 118 9.949 -2.114 3.210 1.00 0.00 H new ATOM 0 HB2 MET A 118 12.144 -4.121 2.510 1.00 0.00 H new ATOM 0 HB3 MET A 118 10.442 -4.536 2.552 1.00 0.00 H new ATOM 0 HG2 MET A 118 9.917 -3.037 0.738 1.00 0.00 H new ATOM 0 HG3 MET A 118 11.455 -2.208 0.870 1.00 0.00 H new ATOM 0 HE1 MET A 118 10.615 -6.260 -1.089 1.00 0.00 H new ATOM 0 HE2 MET A 118 10.103 -5.917 0.580 1.00 0.00 H new ATOM 0 HE3 MET A 118 9.459 -4.947 -0.765 1.00 0.00 H new ATOM 1811 N LEU A 119 9.604 -3.381 5.298 1.00 0.00 N ATOM 1812 CA LEU A 119 9.387 -3.952 6.617 1.00 0.00 C ATOM 1813 C LEU A 119 8.729 -5.326 6.471 1.00 0.00 C ATOM 1814 O LEU A 119 8.418 -5.754 5.360 1.00 0.00 O ATOM 1815 CB LEU A 119 8.597 -2.983 7.497 1.00 0.00 C ATOM 1816 CG LEU A 119 8.822 -1.494 7.226 1.00 0.00 C ATOM 1817 CD1 LEU A 119 7.617 -0.666 7.676 1.00 0.00 C ATOM 1818 CD2 LEU A 119 10.122 -1.010 7.869 1.00 0.00 C ATOM 0 H LEU A 119 8.752 -3.121 4.800 1.00 0.00 H new ATOM 0 HA LEU A 119 10.338 -4.106 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.535 -3.197 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 119 8.846 -3.184 8.539 1.00 0.00 H new ATOM 0 HG LEU A 119 8.924 -1.355 6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.803 0.388 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.730 -0.990 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.458 -0.806 8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.258 0.051 7.661 1.00 0.00 H new ATOM 0 HD22 LEU A 119 10.075 -1.165 8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 119 10.962 -1.570 7.458 1.00 0.00 H new ATOM 1830 N SER A 120 8.537 -5.979 7.607 1.00 0.00 N ATOM 1831 CA SER A 120 7.922 -7.295 7.620 1.00 0.00 C ATOM 1832 C SER A 120 6.497 -7.212 7.068 1.00 0.00 C ATOM 1833 O SER A 120 5.815 -6.205 7.250 1.00 0.00 O ATOM 1834 CB SER A 120 7.911 -7.884 9.032 1.00 0.00 C ATOM 1835 OG SER A 120 7.649 -6.894 10.022 1.00 0.00 O ATOM 0 H SER A 120 8.797 -5.621 8.526 1.00 0.00 H new ATOM 0 HA SER A 120 8.513 -7.955 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.154 -8.666 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.873 -8.355 9.236 1.00 0.00 H new ATOM 0 HG SER A 120 7.955 -7.216 10.896 1.00 0.00 H new ATOM 1841 N GLU A 121 6.090 -8.285 6.405 1.00 0.00 N ATOM 1842 CA GLU A 121 4.759 -8.346 5.826 1.00 0.00 C ATOM 1843 C GLU A 121 3.798 -9.058 6.780 1.00 0.00 C ATOM 1844 O GLU A 121 2.585 -9.036 6.574 1.00 0.00 O ATOM 1845 CB GLU A 121 4.787 -9.035 4.460 1.00 0.00 C ATOM 1846 CG GLU A 121 5.280 -8.077 3.373 1.00 0.00 C ATOM 1847 CD GLU A 121 6.447 -8.688 2.594 1.00 0.00 C ATOM 1848 OE1 GLU A 121 6.477 -9.934 2.499 1.00 0.00 O ATOM 1849 OE2 GLU A 121 7.283 -7.894 2.110 1.00 0.00 O ATOM 0 H GLU A 121 6.659 -9.119 6.256 1.00 0.00 H new ATOM 0 HA GLU A 121 4.402 -7.327 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.438 -9.908 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.789 -9.393 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.463 -7.845 2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.593 -7.136 3.826 1.00 0.00 H new ATOM 1856 N GLU A 122 4.375 -9.672 7.802 1.00 0.00 N ATOM 1857 CA GLU A 122 3.584 -10.389 8.788 1.00 0.00 C ATOM 1858 C GLU A 122 2.701 -9.415 9.570 1.00 0.00 C ATOM 1859 O GLU A 122 1.525 -9.689 9.805 1.00 0.00 O ATOM 1860 CB GLU A 122 4.481 -11.194 9.730 1.00 0.00 C ATOM 1861 CG GLU A 122 4.863 -12.538 9.108 1.00 0.00 C ATOM 1862 CD GLU A 122 5.355 -13.517 10.177 1.00 0.00 C ATOM 1863 OE1 GLU A 122 6.537 -13.388 10.564 1.00 0.00 O ATOM 1864 OE2 GLU A 122 4.538 -14.371 10.584 1.00 0.00 O ATOM 0 H GLU A 122 5.381 -9.688 7.969 1.00 0.00 H new ATOM 0 HA GLU A 122 2.938 -11.094 8.264 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.382 -10.624 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.965 -11.360 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.002 -12.961 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.642 -12.389 8.360 1.00 0.00 H new ATOM 1871 N PRO A 123 3.318 -8.268 9.962 1.00 0.00 N ATOM 1872 CA PRO A 123 2.600 -7.251 10.713 1.00 0.00 C ATOM 1873 C PRO A 123 1.647 -6.470 9.806 1.00 0.00 C ATOM 1874 O PRO A 123 1.112 -5.437 10.205 1.00 0.00 O ATOM 1875 CB PRO A 123 3.683 -6.380 11.328 1.00 0.00 C ATOM 1876 CG PRO A 123 4.945 -6.656 10.528 1.00 0.00 C ATOM 1877 CD PRO A 123 4.709 -7.909 9.702 1.00 0.00 C ATOM 0 HA PRO A 123 1.959 -7.673 11.487 1.00 0.00 H new ATOM 0 HB2 PRO A 123 3.412 -5.326 11.277 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.827 -6.622 12.381 1.00 0.00 H new ATOM 0 HG2 PRO A 123 5.179 -5.811 9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.797 -6.793 11.194 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.878 -7.722 8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.386 -8.711 9.996 1.00 0.00 H new ATOM 1885 N TYR A 124 1.464 -6.994 8.603 1.00 0.00 N ATOM 1886 CA TYR A 124 0.585 -6.358 7.636 1.00 0.00 C ATOM 1887 C TYR A 124 -0.050 -7.395 6.707 1.00 0.00 C ATOM 1888 O TYR A 124 -0.126 -7.186 5.498 1.00 0.00 O ATOM 1889 CB TYR A 124 1.471 -5.425 6.810 1.00 0.00 C ATOM 1890 CG TYR A 124 2.132 -4.311 7.625 1.00 0.00 C ATOM 1891 CD1 TYR A 124 3.363 -4.523 8.212 1.00 0.00 C ATOM 1892 CD2 TYR A 124 1.497 -3.095 7.772 1.00 0.00 C ATOM 1893 CE1 TYR A 124 3.985 -3.475 8.978 1.00 0.00 C ATOM 1894 CE2 TYR A 124 2.119 -2.046 8.539 1.00 0.00 C ATOM 1895 CZ TYR A 124 3.332 -2.288 9.104 1.00 0.00 C ATOM 1896 OH TYR A 124 3.920 -1.298 9.829 1.00 0.00 O ATOM 0 H TYR A 124 1.909 -7.851 8.276 1.00 0.00 H new ATOM 0 HA TYR A 124 -0.222 -5.828 8.142 1.00 0.00 H new ATOM 0 HB2 TYR A 124 2.248 -6.015 6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 124 0.870 -4.975 6.020 1.00 0.00 H new ATOM 0 HD1 TYR A 124 3.860 -5.475 8.097 1.00 0.00 H new ATOM 0 HD2 TYR A 124 0.534 -2.930 7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.948 -3.627 9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 124 1.633 -1.089 8.662 1.00 0.00 H new ATOM 0 HH TYR A 124 3.261 -0.599 10.023 1.00 0.00 H new ATOM 1906 N ILE A 125 -0.488 -8.492 7.308 1.00 0.00 N ATOM 1907 CA ILE A 125 -1.113 -9.562 6.550 1.00 0.00 C ATOM 1908 C ILE A 125 -2.623 -9.322 6.486 1.00 0.00 C ATOM 1909 O ILE A 125 -3.201 -8.739 7.402 1.00 0.00 O ATOM 1910 CB ILE A 125 -0.731 -10.925 7.131 1.00 0.00 C ATOM 1911 CG1 ILE A 125 0.789 -11.085 7.198 1.00 0.00 C ATOM 1912 CG2 ILE A 125 -1.393 -12.060 6.348 1.00 0.00 C ATOM 1913 CD1 ILE A 125 1.392 -11.195 5.796 1.00 0.00 C ATOM 0 H ILE A 125 -0.422 -8.662 8.311 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.747 -9.565 5.523 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.106 -10.978 8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.225 -10.233 7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.039 -11.975 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.105 -13.018 6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.477 -11.951 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.070 -12.021 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.473 -11.308 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.972 -12.062 5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 125 1.161 -10.293 5.229 1.00 0.00 H new ATOM 1925 N HIS A 126 -3.218 -9.784 5.396 1.00 0.00 N ATOM 1926 CA HIS A 126 -4.649 -9.627 5.202 1.00 0.00 C ATOM 1927 C HIS A 126 -5.323 -11.000 5.219 1.00 0.00 C ATOM 1928 O HIS A 126 -5.188 -11.774 4.272 1.00 0.00 O ATOM 1929 CB HIS A 126 -4.940 -8.839 3.923 1.00 0.00 C ATOM 1930 CG HIS A 126 -6.343 -8.285 3.849 1.00 0.00 C ATOM 1931 ND1 HIS A 126 -7.422 -8.890 4.469 1.00 0.00 N ATOM 1932 CD2 HIS A 126 -6.831 -7.176 3.222 1.00 0.00 C ATOM 1933 CE1 HIS A 126 -8.506 -8.170 4.220 1.00 0.00 C ATOM 1934 NE2 HIS A 126 -8.138 -7.108 3.447 1.00 0.00 N ATOM 0 H HIS A 126 -2.735 -10.267 4.638 1.00 0.00 H new ATOM 0 HA HIS A 126 -5.069 -9.045 6.022 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.230 -8.015 3.847 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.770 -9.487 3.063 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -6.253 -6.473 2.641 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -9.505 -8.386 4.568 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -8.764 -6.381 3.099 1.00 0.00 H new ATOM 1942 N SER A 127 -6.035 -11.261 6.306 1.00 0.00 N ATOM 1943 CA SER A 127 -6.730 -12.528 6.458 1.00 0.00 C ATOM 1944 C SER A 127 -8.243 -12.301 6.426 1.00 0.00 C ATOM 1945 O SER A 127 -8.703 -11.161 6.418 1.00 0.00 O ATOM 1946 CB SER A 127 -6.325 -13.225 7.759 1.00 0.00 C ATOM 1947 OG SER A 127 -6.679 -14.605 7.757 1.00 0.00 O ATOM 0 H SER A 127 -6.145 -10.617 7.089 1.00 0.00 H new ATOM 0 HA SER A 127 -6.448 -13.175 5.628 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.249 -13.127 7.903 1.00 0.00 H new ATOM 0 HB3 SER A 127 -6.806 -12.728 8.602 1.00 0.00 H new ATOM 0 HG SER A 127 -6.403 -15.015 8.603 1.00 0.00 H new