USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 465 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 65 CYS SG : rot 110:sc= -0.485 USER MOD Set 1.2: A 68 CYS SG : rot -41:sc= -0.77 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -8.6! C(o=-10!,f=-14!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -0.5 X(o=-10,f=-10) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 55 MET CE :methyl -172:sc= 0 (180deg=-0.147) USER MOD Set 3.1: A 37 CYS SG : rot 128:sc= 1.19 USER MOD Set 3.2: A 40 CYS SG : rot -73:sc= -0.848 USER MOD Set 3.3: A 54 HIS : no HD1:sc= -0.704 K(o=-0.37,f=-1.4) USER MOD Single : A 20 SER OG : rot 39:sc= 0.00991 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.121 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 142:sc= 0.0574 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= -0.886 (180deg=-2.23!) USER MOD Single : A 64 THR OG1 : rot 24:sc= -0.493 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -110:sc= -1.75 (180deg=-4.27!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 174:sc= 0 (180deg=-0.0247) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -159:sc= -0.0455 (180deg=-0.302) USER MOD Single : A 85 ASN : amide:sc= 0.693 K(o=0.69,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.142 9.649 0.268 1.00 0.00 N ATOM 263 CA SER A 20 -4.586 9.534 -1.117 1.00 0.00 C ATOM 264 C SER A 20 -4.051 8.255 -1.754 1.00 0.00 C ATOM 265 O SER A 20 -3.334 7.483 -1.116 1.00 0.00 O ATOM 266 CB SER A 20 -4.127 10.750 -1.924 1.00 0.00 C ATOM 267 OG SER A 20 -4.757 11.934 -1.466 1.00 0.00 O ATOM 0 HA SER A 20 -5.675 9.494 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.045 10.856 -1.844 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.355 10.598 -2.979 1.00 0.00 H new ATOM 0 HG SER A 20 -4.829 11.910 -0.489 1.00 0.00 H new ATOM 273 N LEU A 21 -4.405 8.037 -3.015 1.00 0.00 N ATOM 274 CA LEU A 21 -3.962 6.852 -3.741 1.00 0.00 C ATOM 275 C LEU A 21 -2.472 6.934 -4.059 1.00 0.00 C ATOM 276 O LEU A 21 -1.708 6.026 -3.734 1.00 0.00 O ATOM 277 CB LEU A 21 -4.763 6.692 -5.034 1.00 0.00 C ATOM 278 CG LEU A 21 -6.043 5.863 -4.932 1.00 0.00 C ATOM 279 CD1 LEU A 21 -6.878 6.012 -6.195 1.00 0.00 C ATOM 280 CD2 LEU A 21 -5.712 4.399 -4.681 1.00 0.00 C ATOM 0 H LEU A 21 -4.998 8.666 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.132 5.983 -3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.025 7.684 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.117 6.235 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.626 6.234 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.785 5.415 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.146 7.060 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.302 5.669 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.635 3.824 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.108 4.016 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.156 4.307 -3.748 1.00 0.00 H new ATOM 292 N GLU A 22 -2.067 8.029 -4.695 1.00 0.00 N ATOM 293 CA GLU A 22 -0.668 8.229 -5.055 1.00 0.00 C ATOM 294 C GLU A 22 0.256 7.670 -3.978 1.00 0.00 C ATOM 295 O GLU A 22 1.277 7.053 -4.281 1.00 0.00 O ATOM 296 CB GLU A 22 -0.381 9.717 -5.267 1.00 0.00 C ATOM 297 CG GLU A 22 -0.966 10.273 -6.554 1.00 0.00 C ATOM 298 CD GLU A 22 -1.273 11.755 -6.464 1.00 0.00 C ATOM 299 OE1 GLU A 22 -2.126 12.134 -5.634 1.00 0.00 O ATOM 300 OE2 GLU A 22 -0.661 12.536 -7.222 1.00 0.00 O ATOM 0 H GLU A 22 -2.687 8.790 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.478 7.694 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.781 10.279 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.698 9.873 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.266 10.100 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.880 9.731 -6.797 1.00 0.00 H new ATOM 307 N GLU A 23 -0.110 7.890 -2.719 1.00 0.00 N ATOM 308 CA GLU A 23 0.688 7.409 -1.597 1.00 0.00 C ATOM 309 C GLU A 23 0.819 5.889 -1.635 1.00 0.00 C ATOM 310 O GLU A 23 1.921 5.350 -1.539 1.00 0.00 O ATOM 311 CB GLU A 23 0.059 7.845 -0.272 1.00 0.00 C ATOM 312 CG GLU A 23 0.758 7.274 0.951 1.00 0.00 C ATOM 313 CD GLU A 23 0.487 8.079 2.207 1.00 0.00 C ATOM 314 OE1 GLU A 23 1.070 9.174 2.347 1.00 0.00 O ATOM 315 OE2 GLU A 23 -0.309 7.613 3.049 1.00 0.00 O ATOM 0 H GLU A 23 -0.953 8.398 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 23 1.684 7.844 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.074 8.933 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.987 7.539 -0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.430 6.246 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.832 7.242 0.769 1.00 0.00 H new ATOM 322 N GLN A 24 -0.312 5.206 -1.774 1.00 0.00 N ATOM 323 CA GLN A 24 -0.324 3.749 -1.824 1.00 0.00 C ATOM 324 C GLN A 24 0.548 3.236 -2.965 1.00 0.00 C ATOM 325 O GLN A 24 1.473 2.455 -2.749 1.00 0.00 O ATOM 326 CB GLN A 24 -1.755 3.235 -1.988 1.00 0.00 C ATOM 327 CG GLN A 24 -2.647 3.527 -0.792 1.00 0.00 C ATOM 328 CD GLN A 24 -4.108 3.233 -1.069 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.442 2.518 -2.014 1.00 0.00 O ATOM 330 NE2 GLN A 24 -4.990 3.785 -0.244 1.00 0.00 N ATOM 0 H GLN A 24 -1.232 5.638 -1.854 1.00 0.00 H new ATOM 0 HA GLN A 24 0.083 3.375 -0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.195 3.686 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.728 2.158 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.315 2.931 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.538 4.574 -0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.670 4.371 0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.988 3.623 -0.381 1.00 0.00 H new ATOM 339 N TRP A 25 0.245 3.681 -4.180 1.00 0.00 N ATOM 340 CA TRP A 25 1.001 3.266 -5.356 1.00 0.00 C ATOM 341 C TRP A 25 2.497 3.468 -5.141 1.00 0.00 C ATOM 342 O TRP A 25 3.306 2.615 -5.504 1.00 0.00 O ATOM 343 CB TRP A 25 0.540 4.050 -6.586 1.00 0.00 C ATOM 344 CG TRP A 25 -0.919 3.879 -6.887 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.675 2.763 -6.670 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.795 4.855 -7.460 1.00 0.00 C ATOM 347 NE1 TRP A 25 -2.969 2.986 -7.075 1.00 0.00 N ATOM 348 CE2 TRP A 25 -3.069 4.262 -7.562 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.629 6.173 -7.896 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -4.167 4.943 -8.083 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.719 6.846 -8.412 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.975 6.231 -8.501 1.00 0.00 C ATOM 0 H TRP A 25 -0.518 4.329 -4.376 1.00 0.00 H new ATOM 0 HA TRP A 25 0.817 2.204 -5.520 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.751 5.109 -6.433 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.122 3.731 -7.451 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.310 1.841 -6.243 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.731 2.311 -7.022 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.665 6.656 -7.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.136 4.471 -8.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.601 7.864 -8.753 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.808 6.785 -8.908 1.00 0.00 H new ATOM 363 N TYR A 26 2.857 4.601 -4.548 1.00 0.00 N ATOM 364 CA TYR A 26 4.257 4.915 -4.286 1.00 0.00 C ATOM 365 C TYR A 26 4.924 3.801 -3.485 1.00 0.00 C ATOM 366 O TYR A 26 6.016 3.344 -3.825 1.00 0.00 O ATOM 367 CB TYR A 26 4.371 6.241 -3.532 1.00 0.00 C ATOM 368 CG TYR A 26 5.791 6.606 -3.163 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.699 7.015 -4.133 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.226 6.543 -1.845 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.997 7.350 -3.800 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.522 6.877 -1.503 1.00 0.00 C ATOM 373 CZ TYR A 26 8.404 7.279 -2.484 1.00 0.00 C ATOM 374 OH TYR A 26 9.696 7.612 -2.148 1.00 0.00 O ATOM 0 H TYR A 26 2.199 5.317 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 26 4.769 5.005 -5.244 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.948 7.036 -4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.771 6.186 -2.624 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.384 7.072 -5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.539 6.227 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.690 7.666 -4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.843 6.824 -0.473 1.00 0.00 H new ATOM 0 HH TYR A 26 9.819 7.509 -1.181 1.00 0.00 H new ATOM 384 N LEU A 27 4.260 3.369 -2.419 1.00 0.00 N ATOM 385 CA LEU A 27 4.787 2.308 -1.568 1.00 0.00 C ATOM 386 C LEU A 27 5.098 1.058 -2.384 1.00 0.00 C ATOM 387 O LEU A 27 6.212 0.538 -2.340 1.00 0.00 O ATOM 388 CB LEU A 27 3.787 1.972 -0.460 1.00 0.00 C ATOM 389 CG LEU A 27 3.305 3.149 0.389 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.016 2.793 1.112 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.380 3.564 1.384 1.00 0.00 C ATOM 0 H LEU A 27 3.356 3.737 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 27 5.713 2.664 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.917 1.498 -0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.242 1.235 0.202 1.00 0.00 H new ATOM 0 HG LEU A 27 3.105 3.992 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.688 3.643 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.246 2.545 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.189 1.935 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.020 4.403 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.611 2.725 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.279 3.861 0.845 1.00 0.00 H new ATOM 403 N GLU A 28 4.105 0.583 -3.131 1.00 0.00 N ATOM 404 CA GLU A 28 4.274 -0.605 -3.959 1.00 0.00 C ATOM 405 C GLU A 28 5.581 -0.541 -4.743 1.00 0.00 C ATOM 406 O GLU A 28 6.113 -1.566 -5.169 1.00 0.00 O ATOM 407 CB GLU A 28 3.095 -0.754 -4.922 1.00 0.00 C ATOM 408 CG GLU A 28 3.074 -2.083 -5.658 1.00 0.00 C ATOM 409 CD GLU A 28 1.692 -2.449 -6.165 1.00 0.00 C ATOM 410 OE1 GLU A 28 0.727 -2.347 -5.379 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.576 -2.836 -7.346 1.00 0.00 O ATOM 0 H GLU A 28 3.177 1.003 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 28 4.308 -1.473 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.165 -0.642 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.128 0.055 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.765 -2.039 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.432 -2.868 -4.992 1.00 0.00 H new ATOM 418 N ILE A 29 6.092 0.671 -4.931 1.00 0.00 N ATOM 419 CA ILE A 29 7.337 0.870 -5.663 1.00 0.00 C ATOM 420 C ILE A 29 8.537 0.854 -4.722 1.00 0.00 C ATOM 421 O ILE A 29 9.453 0.047 -4.881 1.00 0.00 O ATOM 422 CB ILE A 29 7.326 2.200 -6.440 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.075 2.294 -7.315 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.583 2.327 -7.289 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.596 3.712 -7.533 1.00 0.00 C ATOM 0 H ILE A 29 5.663 1.530 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 29 7.422 0.045 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 29 7.309 3.022 -5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.283 1.836 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.275 1.715 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.561 3.272 -7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.462 2.299 -6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.628 1.501 -7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.706 3.703 -8.162 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.356 4.167 -6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.380 4.290 -8.022 1.00 0.00 H new ATOM 437 N VAL A 30 8.524 1.749 -3.740 1.00 0.00 N ATOM 438 CA VAL A 30 9.610 1.836 -2.770 1.00 0.00 C ATOM 439 C VAL A 30 9.816 0.505 -2.055 1.00 0.00 C ATOM 440 O VAL A 30 10.838 0.291 -1.403 1.00 0.00 O ATOM 441 CB VAL A 30 9.341 2.933 -1.723 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.684 4.142 -2.372 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.479 2.390 -0.593 1.00 0.00 C ATOM 0 H VAL A 30 7.774 2.424 -3.595 1.00 0.00 H new ATOM 0 HA VAL A 30 10.512 2.089 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 30 10.295 3.251 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.502 4.906 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.342 4.543 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.737 3.844 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.299 3.178 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.527 2.044 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.993 1.559 -0.111 1.00 0.00 H new ATOM 453 N ASP A 31 8.839 -0.386 -2.183 1.00 0.00 N ATOM 454 CA ASP A 31 8.914 -1.698 -1.550 1.00 0.00 C ATOM 455 C ASP A 31 9.327 -2.765 -2.559 1.00 0.00 C ATOM 456 O ASP A 31 10.126 -3.650 -2.251 1.00 0.00 O ATOM 457 CB ASP A 31 7.567 -2.063 -0.925 1.00 0.00 C ATOM 458 CG ASP A 31 7.716 -2.957 0.291 1.00 0.00 C ATOM 459 OD1 ASP A 31 8.363 -2.526 1.269 1.00 0.00 O ATOM 460 OD2 ASP A 31 7.186 -4.087 0.265 1.00 0.00 O ATOM 0 H ASP A 31 7.986 -0.224 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 31 9.670 -1.654 -0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.043 -1.151 -0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.949 -2.566 -1.669 1.00 0.00 H new ATOM 465 N LYS A 32 8.777 -2.676 -3.765 1.00 0.00 N ATOM 466 CA LYS A 32 9.087 -3.633 -4.820 1.00 0.00 C ATOM 467 C LYS A 32 9.966 -2.996 -5.892 1.00 0.00 C ATOM 468 O LYS A 32 11.026 -3.520 -6.232 1.00 0.00 O ATOM 469 CB LYS A 32 7.798 -4.163 -5.452 1.00 0.00 C ATOM 470 CG LYS A 32 6.747 -4.575 -4.435 1.00 0.00 C ATOM 471 CD LYS A 32 7.227 -5.731 -3.573 1.00 0.00 C ATOM 472 CE LYS A 32 6.585 -5.703 -2.195 1.00 0.00 C ATOM 473 NZ LYS A 32 5.206 -6.264 -2.214 1.00 0.00 N ATOM 0 H LYS A 32 8.114 -1.950 -4.036 1.00 0.00 H new ATOM 0 HA LYS A 32 9.633 -4.463 -4.373 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.380 -3.395 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.038 -5.020 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.501 -3.724 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.831 -4.862 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.993 -6.675 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.311 -5.685 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.199 -6.272 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.554 -4.677 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.803 -6.227 -1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.613 -5.706 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.237 -7.252 -2.538 1.00 0.00 H new ATOM 487 N GLY A 33 9.518 -1.860 -6.419 1.00 0.00 N ATOM 488 CA GLY A 33 10.277 -1.169 -7.446 1.00 0.00 C ATOM 489 C GLY A 33 9.390 -0.572 -8.520 1.00 0.00 C ATOM 490 O GLY A 33 9.826 0.282 -9.291 1.00 0.00 O ATOM 0 H GLY A 33 8.644 -1.406 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.868 -0.377 -6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.979 -1.865 -7.905 1.00 0.00 H new ATOM 494 N SER A 34 8.141 -1.025 -8.572 1.00 0.00 N ATOM 495 CA SER A 34 7.191 -0.534 -9.564 1.00 0.00 C ATOM 496 C SER A 34 5.755 -0.758 -9.099 1.00 0.00 C ATOM 497 O SER A 34 5.512 -1.446 -8.107 1.00 0.00 O ATOM 498 CB SER A 34 7.418 -1.230 -10.907 1.00 0.00 C ATOM 499 OG SER A 34 6.984 -2.578 -10.863 1.00 0.00 O ATOM 0 H SER A 34 7.764 -1.731 -7.939 1.00 0.00 H new ATOM 0 HA SER A 34 7.352 0.537 -9.686 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.881 -0.697 -11.692 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.477 -1.194 -11.165 1.00 0.00 H new ATOM 0 HG SER A 34 7.138 -3.000 -11.734 1.00 0.00 H new ATOM 505 N VAL A 35 4.807 -0.171 -9.822 1.00 0.00 N ATOM 506 CA VAL A 35 3.395 -0.307 -9.486 1.00 0.00 C ATOM 507 C VAL A 35 2.600 -0.861 -10.663 1.00 0.00 C ATOM 508 O VAL A 35 2.911 -0.584 -11.821 1.00 0.00 O ATOM 509 CB VAL A 35 2.787 1.043 -9.061 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.651 1.969 -10.260 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.441 0.832 -8.384 1.00 0.00 C ATOM 0 H VAL A 35 4.991 0.403 -10.644 1.00 0.00 H new ATOM 0 HA VAL A 35 3.335 -1.004 -8.650 1.00 0.00 H new ATOM 0 HB VAL A 35 3.459 1.514 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.220 2.918 -9.940 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.634 2.146 -10.696 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.002 1.508 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.026 1.796 -8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.759 0.339 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.572 0.209 -7.499 1.00 0.00 H new ATOM 521 N SER A 36 1.572 -1.646 -10.358 1.00 0.00 N ATOM 522 CA SER A 36 0.733 -2.243 -11.391 1.00 0.00 C ATOM 523 C SER A 36 -0.502 -1.385 -11.651 1.00 0.00 C ATOM 524 O SER A 36 -0.913 -0.595 -10.801 1.00 0.00 O ATOM 525 CB SER A 36 0.311 -3.655 -10.982 1.00 0.00 C ATOM 526 OG SER A 36 -0.689 -4.160 -11.850 1.00 0.00 O ATOM 0 H SER A 36 1.300 -1.884 -9.404 1.00 0.00 H new ATOM 0 HA SER A 36 1.315 -2.298 -12.311 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.178 -4.316 -10.997 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.063 -3.644 -9.958 1.00 0.00 H new ATOM 0 HG SER A 36 -0.940 -5.064 -11.568 1.00 0.00 H new ATOM 532 N CYS A 37 -1.089 -1.547 -12.832 1.00 0.00 N ATOM 533 CA CYS A 37 -2.277 -0.789 -13.206 1.00 0.00 C ATOM 534 C CYS A 37 -3.470 -1.186 -12.341 1.00 0.00 C ATOM 535 O CYS A 37 -3.993 -2.296 -12.433 1.00 0.00 O ATOM 536 CB CYS A 37 -2.606 -1.014 -14.683 1.00 0.00 C ATOM 537 SG CYS A 37 -3.794 0.184 -15.371 1.00 0.00 S ATOM 0 H CYS A 37 -0.761 -2.197 -13.547 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.069 0.269 -13.044 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.683 -0.967 -15.261 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.008 -2.020 -14.806 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.303 0.708 -16.455 1.00 0.00 H new ATOM 542 N PRO A 38 -3.912 -0.256 -11.481 1.00 0.00 N ATOM 543 CA PRO A 38 -5.049 -0.484 -10.584 1.00 0.00 C ATOM 544 C PRO A 38 -6.374 -0.560 -11.335 1.00 0.00 C ATOM 545 O PRO A 38 -7.423 -0.811 -10.741 1.00 0.00 O ATOM 546 CB PRO A 38 -5.025 0.738 -9.663 1.00 0.00 C ATOM 547 CG PRO A 38 -4.346 1.799 -10.460 1.00 0.00 C ATOM 548 CD PRO A 38 -3.336 1.090 -11.319 1.00 0.00 C ATOM 0 HA PRO A 38 -4.967 -1.434 -10.056 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.033 1.040 -9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.484 0.528 -8.741 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.063 2.346 -11.072 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.862 2.527 -9.809 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.204 1.589 -12.279 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.357 1.053 -10.841 1.00 0.00 H new ATOM 556 N THR A 39 -6.320 -0.343 -12.645 1.00 0.00 N ATOM 557 CA THR A 39 -7.515 -0.386 -13.477 1.00 0.00 C ATOM 558 C THR A 39 -7.585 -1.685 -14.273 1.00 0.00 C ATOM 559 O THR A 39 -8.556 -2.435 -14.173 1.00 0.00 O ATOM 560 CB THR A 39 -7.564 0.804 -14.453 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.157 2.003 -13.785 1.00 0.00 O ATOM 562 CG2 THR A 39 -8.964 0.983 -15.019 1.00 0.00 C ATOM 0 H THR A 39 -5.460 -0.135 -13.153 1.00 0.00 H new ATOM 0 HA THR A 39 -8.370 -0.329 -12.804 1.00 0.00 H new ATOM 0 HB THR A 39 -6.880 0.598 -15.277 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.189 2.755 -14.413 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.973 1.830 -15.706 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.259 0.080 -15.553 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.665 1.168 -14.205 1.00 0.00 H new ATOM 570 N CYS A 40 -6.549 -1.945 -15.063 1.00 0.00 N ATOM 571 CA CYS A 40 -6.492 -3.154 -15.876 1.00 0.00 C ATOM 572 C CYS A 40 -5.712 -4.254 -15.162 1.00 0.00 C ATOM 573 O CYS A 40 -5.968 -5.440 -15.364 1.00 0.00 O ATOM 574 CB CYS A 40 -5.845 -2.852 -17.230 1.00 0.00 C ATOM 575 SG CYS A 40 -4.055 -2.528 -17.143 1.00 0.00 S ATOM 0 H CYS A 40 -5.737 -1.335 -15.158 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.512 -3.502 -16.037 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.019 -3.694 -17.900 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.339 -1.987 -17.672 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.851 -1.357 -16.616 1.00 0.00 H new ATOM 580 N GLN A 41 -4.761 -3.850 -14.326 1.00 0.00 N ATOM 581 CA GLN A 41 -3.944 -4.801 -13.582 1.00 0.00 C ATOM 582 C GLN A 41 -3.257 -5.784 -14.525 1.00 0.00 C ATOM 583 O GLN A 41 -3.262 -6.992 -14.290 1.00 0.00 O ATOM 584 CB GLN A 41 -4.803 -5.563 -12.571 1.00 0.00 C ATOM 585 CG GLN A 41 -5.383 -4.679 -11.478 1.00 0.00 C ATOM 586 CD GLN A 41 -5.981 -5.478 -10.337 1.00 0.00 C ATOM 587 OE1 GLN A 41 -6.746 -6.418 -10.556 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.635 -5.108 -9.110 1.00 0.00 N ATOM 0 H GLN A 41 -4.537 -2.871 -14.147 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.177 -4.241 -13.048 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.619 -6.057 -13.099 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.200 -6.346 -12.112 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.600 -4.028 -11.089 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.150 -4.034 -11.906 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.998 -4.323 -8.975 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.006 -5.609 -8.303 1.00 0.00 H new ATOM 597 N ALA A 42 -2.668 -5.257 -15.594 1.00 0.00 N ATOM 598 CA ALA A 42 -1.976 -6.088 -16.572 1.00 0.00 C ATOM 599 C ALA A 42 -0.510 -5.686 -16.693 1.00 0.00 C ATOM 600 O ALA A 42 0.369 -6.539 -16.812 1.00 0.00 O ATOM 601 CB ALA A 42 -2.665 -5.994 -17.925 1.00 0.00 C ATOM 0 H ALA A 42 -2.656 -4.259 -15.805 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.015 -7.122 -16.228 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.138 -6.619 -18.646 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.696 -6.336 -17.833 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.655 -4.959 -18.267 1.00 0.00 H new ATOM 607 N VAL A 43 -0.254 -4.382 -16.664 1.00 0.00 N ATOM 608 CA VAL A 43 1.106 -3.868 -16.771 1.00 0.00 C ATOM 609 C VAL A 43 1.345 -2.736 -15.778 1.00 0.00 C ATOM 610 O VAL A 43 0.448 -1.943 -15.497 1.00 0.00 O ATOM 611 CB VAL A 43 1.404 -3.359 -18.194 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.272 -4.489 -19.204 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.480 -2.204 -18.550 1.00 0.00 C ATOM 0 H VAL A 43 -0.971 -3.663 -16.567 1.00 0.00 H new ATOM 0 HA VAL A 43 1.776 -4.697 -16.542 1.00 0.00 H new ATOM 0 HB VAL A 43 2.431 -2.996 -18.224 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.486 -4.111 -20.203 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.978 -5.282 -18.957 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.257 -4.885 -19.176 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.704 -1.856 -19.559 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.556 -2.539 -18.503 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.629 -1.388 -17.843 1.00 0.00 H new ATOM 623 N GLY A 44 2.563 -2.668 -15.249 1.00 0.00 N ATOM 624 CA GLY A 44 2.899 -1.629 -14.292 1.00 0.00 C ATOM 625 C GLY A 44 3.928 -0.655 -14.832 1.00 0.00 C ATOM 626 O GLY A 44 4.367 -0.776 -15.975 1.00 0.00 O ATOM 0 H GLY A 44 3.323 -3.313 -15.466 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.995 -1.084 -14.019 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.281 -2.089 -13.380 1.00 0.00 H new ATOM 630 N ARG A 45 4.311 0.314 -14.008 1.00 0.00 N ATOM 631 CA ARG A 45 5.292 1.315 -14.410 1.00 0.00 C ATOM 632 C ARG A 45 6.313 1.552 -13.301 1.00 0.00 C ATOM 633 O ARG A 45 6.043 1.295 -12.128 1.00 0.00 O ATOM 634 CB ARG A 45 4.595 2.630 -14.764 1.00 0.00 C ATOM 635 CG ARG A 45 3.856 2.589 -16.092 1.00 0.00 C ATOM 636 CD ARG A 45 4.766 2.971 -17.248 1.00 0.00 C ATOM 637 NE ARG A 45 4.185 2.619 -18.542 1.00 0.00 N ATOM 638 CZ ARG A 45 4.061 1.370 -18.976 1.00 0.00 C ATOM 639 NH1 ARG A 45 4.474 0.359 -18.225 1.00 0.00 N ATOM 640 NH2 ARG A 45 3.522 1.131 -20.165 1.00 0.00 N ATOM 0 H ARG A 45 3.957 0.428 -13.058 1.00 0.00 H new ATOM 0 HA ARG A 45 5.816 0.940 -15.289 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.889 2.882 -13.973 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.337 3.428 -14.795 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.457 1.588 -16.257 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.005 3.269 -16.057 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.960 4.043 -17.217 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.727 2.470 -17.134 1.00 0.00 H new ATOM 0 HE ARG A 45 3.857 3.374 -19.145 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.889 0.539 -17.311 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.377 -0.599 -18.561 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.203 1.907 -20.746 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.427 0.172 -20.498 1.00 0.00 H new ATOM 654 N LYS A 46 7.488 2.042 -13.681 1.00 0.00 N ATOM 655 CA LYS A 46 8.551 2.315 -12.720 1.00 0.00 C ATOM 656 C LYS A 46 8.050 3.217 -11.596 1.00 0.00 C ATOM 657 O LYS A 46 8.214 2.905 -10.416 1.00 0.00 O ATOM 658 CB LYS A 46 9.744 2.969 -13.420 1.00 0.00 C ATOM 659 CG LYS A 46 10.557 2.004 -14.266 1.00 0.00 C ATOM 660 CD LYS A 46 11.906 2.593 -14.643 1.00 0.00 C ATOM 661 CE LYS A 46 12.809 1.551 -15.286 1.00 0.00 C ATOM 662 NZ LYS A 46 14.249 1.835 -15.036 1.00 0.00 N ATOM 0 H LYS A 46 7.729 2.258 -14.648 1.00 0.00 H new ATOM 0 HA LYS A 46 8.867 1.366 -12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.383 3.779 -14.054 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.394 3.417 -12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.706 1.074 -13.717 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.002 1.755 -15.171 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.761 3.425 -15.332 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.390 2.996 -13.753 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.560 0.564 -14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.625 1.524 -16.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.831 1.103 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.493 2.766 -15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.430 1.835 -14.012 1.00 0.00 H new ATOM 676 N THR A 47 7.437 4.336 -11.970 1.00 0.00 N ATOM 677 CA THR A 47 6.913 5.282 -10.994 1.00 0.00 C ATOM 678 C THR A 47 5.467 5.650 -11.307 1.00 0.00 C ATOM 679 O THR A 47 4.967 5.367 -12.396 1.00 0.00 O ATOM 680 CB THR A 47 7.759 6.568 -10.947 1.00 0.00 C ATOM 681 OG1 THR A 47 8.263 6.871 -12.253 1.00 0.00 O ATOM 682 CG2 THR A 47 8.919 6.417 -9.973 1.00 0.00 C ATOM 0 H THR A 47 7.292 4.609 -12.942 1.00 0.00 H new ATOM 0 HA THR A 47 6.958 4.791 -10.022 1.00 0.00 H new ATOM 0 HB THR A 47 7.122 7.384 -10.606 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.241 7.840 -12.395 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.502 7.338 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.532 6.215 -8.974 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.555 5.590 -10.290 1.00 0.00 H new ATOM 690 N ILE A 48 4.801 6.283 -10.347 1.00 0.00 N ATOM 691 CA ILE A 48 3.413 6.691 -10.522 1.00 0.00 C ATOM 692 C ILE A 48 3.231 7.480 -11.815 1.00 0.00 C ATOM 693 O ILE A 48 2.223 7.334 -12.505 1.00 0.00 O ATOM 694 CB ILE A 48 2.924 7.547 -9.339 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.178 6.820 -8.017 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.446 7.872 -9.495 1.00 0.00 C ATOM 697 CD1 ILE A 48 2.622 7.545 -6.811 1.00 0.00 C ATOM 0 H ILE A 48 5.200 6.524 -9.440 1.00 0.00 H new ATOM 0 HA ILE A 48 2.819 5.778 -10.569 1.00 0.00 H new ATOM 0 HB ILE A 48 3.483 8.483 -9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.736 5.825 -8.068 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.252 6.685 -7.886 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.116 8.477 -8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.291 8.425 -10.421 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.871 6.946 -9.525 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.839 6.972 -5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.083 8.530 -6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.543 7.656 -6.919 1.00 0.00 H new ATOM 709 N GLU A 49 4.215 8.314 -12.136 1.00 0.00 N ATOM 710 CA GLU A 49 4.163 9.126 -13.346 1.00 0.00 C ATOM 711 C GLU A 49 3.826 8.267 -14.562 1.00 0.00 C ATOM 712 O GLU A 49 2.852 8.526 -15.268 1.00 0.00 O ATOM 713 CB GLU A 49 5.498 9.840 -13.566 1.00 0.00 C ATOM 714 CG GLU A 49 5.854 10.818 -12.460 1.00 0.00 C ATOM 715 CD GLU A 49 7.345 11.083 -12.373 1.00 0.00 C ATOM 716 OE1 GLU A 49 8.123 10.107 -12.402 1.00 0.00 O ATOM 717 OE2 GLU A 49 7.733 12.266 -12.276 1.00 0.00 O ATOM 0 H GLU A 49 5.057 8.445 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 49 3.378 9.872 -13.220 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.289 9.095 -13.650 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.462 10.375 -14.515 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.331 11.759 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.502 10.426 -11.506 1.00 0.00 H new ATOM 724 N GLY A 50 4.641 7.244 -14.801 1.00 0.00 N ATOM 725 CA GLY A 50 4.414 6.363 -15.932 1.00 0.00 C ATOM 726 C GLY A 50 3.044 5.716 -15.897 1.00 0.00 C ATOM 727 O GLY A 50 2.386 5.581 -16.930 1.00 0.00 O ATOM 0 H GLY A 50 5.454 7.010 -14.232 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.521 6.929 -16.857 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.179 5.587 -15.943 1.00 0.00 H new ATOM 731 N LEU A 51 2.613 5.312 -14.707 1.00 0.00 N ATOM 732 CA LEU A 51 1.312 4.673 -14.542 1.00 0.00 C ATOM 733 C LEU A 51 0.184 5.623 -14.932 1.00 0.00 C ATOM 734 O LEU A 51 -0.659 5.295 -15.766 1.00 0.00 O ATOM 735 CB LEU A 51 1.128 4.212 -13.095 1.00 0.00 C ATOM 736 CG LEU A 51 -0.311 3.941 -12.654 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.743 2.544 -13.072 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.449 4.115 -11.149 1.00 0.00 C ATOM 0 H LEU A 51 3.145 5.415 -13.843 1.00 0.00 H new ATOM 0 HA LEU A 51 1.275 3.806 -15.201 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.709 3.302 -12.948 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.552 4.970 -12.437 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.963 4.663 -13.145 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.769 2.369 -12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.683 2.454 -14.157 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.087 1.807 -12.610 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.479 3.918 -10.853 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.215 3.416 -10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.181 5.135 -10.875 1.00 0.00 H new ATOM 750 N LYS A 52 0.177 6.805 -14.324 1.00 0.00 N ATOM 751 CA LYS A 52 -0.843 7.806 -14.609 1.00 0.00 C ATOM 752 C LYS A 52 -1.070 7.940 -16.112 1.00 0.00 C ATOM 753 O LYS A 52 -2.193 7.797 -16.596 1.00 0.00 O ATOM 754 CB LYS A 52 -0.438 9.160 -14.022 1.00 0.00 C ATOM 755 CG LYS A 52 -0.749 9.298 -12.541 1.00 0.00 C ATOM 756 CD LYS A 52 -0.390 10.681 -12.023 1.00 0.00 C ATOM 757 CE LYS A 52 1.110 10.925 -12.077 1.00 0.00 C ATOM 758 NZ LYS A 52 1.485 12.218 -11.442 1.00 0.00 N ATOM 0 H LYS A 52 0.867 7.093 -13.630 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.774 7.480 -14.146 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.631 9.308 -14.176 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.951 9.952 -14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.809 9.109 -12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.197 8.544 -11.980 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.904 11.437 -12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.740 10.788 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.629 10.109 -11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.441 10.921 -13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.515 12.347 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.010 12.999 -11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.192 12.213 -10.444 1.00 0.00 H new ATOM 772 N LYS A 53 0.004 8.213 -16.845 1.00 0.00 N ATOM 773 CA LYS A 53 -0.076 8.363 -18.293 1.00 0.00 C ATOM 774 C LYS A 53 -0.607 7.089 -18.944 1.00 0.00 C ATOM 775 O LYS A 53 -1.271 7.139 -19.980 1.00 0.00 O ATOM 776 CB LYS A 53 1.300 8.707 -18.868 1.00 0.00 C ATOM 777 CG LYS A 53 1.276 9.024 -20.353 1.00 0.00 C ATOM 778 CD LYS A 53 0.962 10.489 -20.606 1.00 0.00 C ATOM 779 CE LYS A 53 2.212 11.351 -20.520 1.00 0.00 C ATOM 780 NZ LYS A 53 2.572 11.668 -19.110 1.00 0.00 N ATOM 0 H LYS A 53 0.941 8.335 -16.460 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.768 9.177 -18.511 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.706 9.563 -18.329 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.977 7.870 -18.694 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.241 8.777 -20.794 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.531 8.401 -20.847 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.510 10.600 -21.591 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.229 10.836 -19.878 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.043 10.834 -20.999 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.053 12.278 -21.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.018 12.607 -19.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.713 11.666 -18.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.237 10.953 -18.752 1.00 0.00 H new ATOM 794 N HIS A 54 -0.310 5.949 -18.329 1.00 0.00 N ATOM 795 CA HIS A 54 -0.760 4.662 -18.848 1.00 0.00 C ATOM 796 C HIS A 54 -2.265 4.497 -18.664 1.00 0.00 C ATOM 797 O HIS A 54 -2.993 4.244 -19.623 1.00 0.00 O ATOM 798 CB HIS A 54 -0.021 3.520 -18.148 1.00 0.00 C ATOM 799 CG HIS A 54 -0.571 2.165 -18.470 1.00 0.00 C ATOM 800 ND1 HIS A 54 -0.636 1.665 -19.753 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.081 1.202 -17.666 1.00 0.00 C ATOM 802 CE1 HIS A 54 -1.164 0.454 -19.725 1.00 0.00 C ATOM 803 NE2 HIS A 54 -1.443 0.150 -18.471 1.00 0.00 N ATOM 0 H HIS A 54 0.240 5.890 -17.472 1.00 0.00 H new ATOM 0 HA HIS A 54 -0.537 4.631 -19.914 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.031 3.552 -18.430 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.067 3.675 -17.070 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.184 1.252 -16.592 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.338 -0.179 -20.582 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.860 -0.724 -18.152 1.00 0.00 H new ATOM 811 N MET A 55 -2.725 4.643 -17.425 1.00 0.00 N ATOM 812 CA MET A 55 -4.144 4.511 -17.117 1.00 0.00 C ATOM 813 C MET A 55 -4.948 5.631 -17.768 1.00 0.00 C ATOM 814 O MET A 55 -6.155 5.502 -17.973 1.00 0.00 O ATOM 815 CB MET A 55 -4.362 4.524 -15.603 1.00 0.00 C ATOM 816 CG MET A 55 -4.289 5.914 -14.991 1.00 0.00 C ATOM 817 SD MET A 55 -3.966 5.875 -13.217 1.00 0.00 S ATOM 818 CE MET A 55 -5.350 4.895 -12.642 1.00 0.00 C ATOM 0 H MET A 55 -2.136 4.853 -16.619 1.00 0.00 H new ATOM 0 HA MET A 55 -4.491 3.559 -17.519 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.336 4.089 -15.381 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.613 3.888 -15.131 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.504 6.484 -15.487 1.00 0.00 H new ATOM 0 HG3 MET A 55 -5.227 6.437 -15.174 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.372 4.900 -11.552 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.279 5.317 -13.025 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.243 3.870 -12.998 1.00 0.00 H new ATOM 828 N GLU A 56 -4.272 6.729 -18.091 1.00 0.00 N ATOM 829 CA GLU A 56 -4.926 7.871 -18.718 1.00 0.00 C ATOM 830 C GLU A 56 -5.647 7.452 -19.996 1.00 0.00 C ATOM 831 O GLU A 56 -6.750 7.916 -20.279 1.00 0.00 O ATOM 832 CB GLU A 56 -3.902 8.964 -19.033 1.00 0.00 C ATOM 833 CG GLU A 56 -3.777 10.013 -17.941 1.00 0.00 C ATOM 834 CD GLU A 56 -3.408 11.380 -18.485 1.00 0.00 C ATOM 835 OE1 GLU A 56 -2.858 11.445 -19.604 1.00 0.00 O ATOM 836 OE2 GLU A 56 -3.671 12.385 -17.791 1.00 0.00 O ATOM 0 H GLU A 56 -3.272 6.852 -17.929 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.663 8.264 -18.018 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.928 8.502 -19.195 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.181 9.454 -19.966 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.721 10.084 -17.401 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.021 9.696 -17.222 1.00 0.00 H new ATOM 958 N THR A 64 -19.107 -2.382 -11.147 1.00 0.00 N ATOM 959 CA THR A 64 -20.249 -2.412 -10.242 1.00 0.00 C ATOM 960 C THR A 64 -21.241 -3.498 -10.644 1.00 0.00 C ATOM 961 O THR A 64 -21.805 -3.463 -11.738 1.00 0.00 O ATOM 962 CB THR A 64 -20.976 -1.054 -10.211 1.00 0.00 C ATOM 963 OG1 THR A 64 -20.075 -0.025 -9.787 1.00 0.00 O ATOM 964 CG2 THR A 64 -22.174 -1.104 -9.275 1.00 0.00 C ATOM 0 HA THR A 64 -19.859 -2.630 -9.248 1.00 0.00 H new ATOM 0 HB THR A 64 -21.330 -0.833 -11.218 1.00 0.00 H new ATOM 0 HG1 THR A 64 -19.153 -0.300 -9.974 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.672 -0.134 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 64 -22.872 -1.868 -9.618 1.00 0.00 H new ATOM 0 HG23 THR A 64 -21.838 -1.345 -8.267 1.00 0.00 H new ATOM 972 N CYS A 65 -21.449 -4.461 -9.753 1.00 0.00 N ATOM 973 CA CYS A 65 -22.373 -5.558 -10.014 1.00 0.00 C ATOM 974 C CYS A 65 -23.766 -5.029 -10.345 1.00 0.00 C ATOM 975 O CYS A 65 -24.108 -3.895 -10.006 1.00 0.00 O ATOM 976 CB CYS A 65 -22.445 -6.491 -8.803 1.00 0.00 C ATOM 977 SG CYS A 65 -23.753 -7.753 -8.914 1.00 0.00 S ATOM 0 H CYS A 65 -20.990 -4.504 -8.843 1.00 0.00 H new ATOM 0 HA CYS A 65 -22.001 -6.116 -10.873 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -21.483 -6.990 -8.684 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -22.607 -5.893 -7.906 1.00 0.00 H new ATOM 0 HG CYS A 65 -23.213 -8.924 -9.079 1.00 0.00 H new ATOM 982 N HIS A 66 -24.565 -5.858 -11.009 1.00 0.00 N ATOM 983 CA HIS A 66 -25.921 -5.474 -11.385 1.00 0.00 C ATOM 984 C HIS A 66 -26.950 -6.212 -10.534 1.00 0.00 C ATOM 985 O HIS A 66 -28.005 -5.667 -10.206 1.00 0.00 O ATOM 986 CB HIS A 66 -26.164 -5.766 -12.867 1.00 0.00 C ATOM 987 CG HIS A 66 -25.218 -5.049 -13.781 1.00 0.00 C ATOM 988 ND1 HIS A 66 -23.963 -5.528 -14.091 1.00 0.00 N ATOM 989 CD2 HIS A 66 -25.351 -3.883 -14.454 1.00 0.00 C ATOM 990 CE1 HIS A 66 -23.364 -4.687 -14.915 1.00 0.00 C ATOM 991 NE2 HIS A 66 -24.186 -3.680 -15.151 1.00 0.00 N ATOM 0 H HIS A 66 -24.297 -6.799 -11.298 1.00 0.00 H new ATOM 0 HA HIS A 66 -26.031 -4.404 -11.210 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -26.077 -6.839 -13.037 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -27.186 -5.485 -13.122 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -26.213 -3.233 -14.445 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -22.372 -4.803 -15.326 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -23.987 -2.881 -15.753 1.00 0.00 H new ATOM 999 N HIS A 67 -26.638 -7.454 -10.180 1.00 0.00 N ATOM 1000 CA HIS A 67 -27.536 -8.267 -9.368 1.00 0.00 C ATOM 1001 C HIS A 67 -27.831 -7.584 -8.036 1.00 0.00 C ATOM 1002 O HIS A 67 -28.988 -7.337 -7.695 1.00 0.00 O ATOM 1003 CB HIS A 67 -26.926 -9.648 -9.122 1.00 0.00 C ATOM 1004 CG HIS A 67 -27.036 -10.569 -10.298 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -28.167 -11.307 -10.573 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -26.147 -10.867 -11.274 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -27.969 -12.022 -11.666 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -26.751 -11.772 -12.112 1.00 0.00 N ATOM 0 H HIS A 67 -25.770 -7.920 -10.443 1.00 0.00 H new ATOM 0 HA HIS A 67 -28.473 -8.384 -9.912 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -25.874 -9.530 -8.860 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -27.419 -10.106 -8.265 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -25.149 -10.468 -11.375 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -28.682 -12.696 -12.118 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -26.328 -12.184 -12.944 1.00 0.00 H new ATOM 1016 N CYS A 68 -26.777 -7.281 -7.285 1.00 0.00 N ATOM 1017 CA CYS A 68 -26.922 -6.627 -5.990 1.00 0.00 C ATOM 1018 C CYS A 68 -26.549 -5.150 -6.081 1.00 0.00 C ATOM 1019 O CYS A 68 -27.267 -4.286 -5.581 1.00 0.00 O ATOM 1020 CB CYS A 68 -26.048 -7.322 -4.944 1.00 0.00 C ATOM 1021 SG CYS A 68 -24.260 -7.218 -5.282 1.00 0.00 S ATOM 0 H CYS A 68 -25.812 -7.478 -7.552 1.00 0.00 H new ATOM 0 HA CYS A 68 -27.967 -6.701 -5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -26.249 -6.881 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -26.335 -8.372 -4.885 1.00 0.00 H new ATOM 0 HG CYS A 68 -24.047 -7.403 -6.551 1.00 0.00 H new ATOM 1026 N GLY A 69 -25.420 -4.869 -6.725 1.00 0.00 N ATOM 1027 CA GLY A 69 -24.971 -3.497 -6.871 1.00 0.00 C ATOM 1028 C GLY A 69 -23.744 -3.196 -6.033 1.00 0.00 C ATOM 1029 O GLY A 69 -23.573 -2.078 -5.547 1.00 0.00 O ATOM 0 H GLY A 69 -24.809 -5.567 -7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -24.748 -3.301 -7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -25.777 -2.822 -6.585 1.00 0.00 H new ATOM 1033 N LYS A 70 -22.887 -4.198 -5.861 1.00 0.00 N ATOM 1034 CA LYS A 70 -21.669 -4.037 -5.075 1.00 0.00 C ATOM 1035 C LYS A 70 -20.653 -3.175 -5.818 1.00 0.00 C ATOM 1036 O LYS A 70 -20.707 -3.052 -7.041 1.00 0.00 O ATOM 1037 CB LYS A 70 -21.059 -5.403 -4.757 1.00 0.00 C ATOM 1038 CG LYS A 70 -20.307 -5.441 -3.437 1.00 0.00 C ATOM 1039 CD LYS A 70 -19.591 -6.767 -3.242 1.00 0.00 C ATOM 1040 CE LYS A 70 -19.251 -7.006 -1.778 1.00 0.00 C ATOM 1041 NZ LYS A 70 -18.228 -6.044 -1.282 1.00 0.00 N ATOM 0 H LYS A 70 -23.014 -5.130 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 70 -21.931 -3.537 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -21.853 -6.150 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -20.379 -5.684 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.583 -4.627 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -21.004 -5.278 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.220 -7.579 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.677 -6.779 -3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.155 -6.917 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.883 -8.024 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.332 -6.545 -1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -18.080 -5.298 -1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.557 -5.615 -0.393 1.00 0.00 H new ATOM 1055 N GLN A 71 -19.727 -2.583 -5.070 1.00 0.00 N ATOM 1056 CA GLN A 71 -18.698 -1.734 -5.659 1.00 0.00 C ATOM 1057 C GLN A 71 -17.340 -2.003 -5.021 1.00 0.00 C ATOM 1058 O GLN A 71 -17.080 -1.589 -3.890 1.00 0.00 O ATOM 1059 CB GLN A 71 -19.069 -0.259 -5.495 1.00 0.00 C ATOM 1060 CG GLN A 71 -20.060 0.239 -6.535 1.00 0.00 C ATOM 1061 CD GLN A 71 -19.979 1.737 -6.749 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -20.856 2.486 -6.315 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -18.924 2.184 -7.419 1.00 0.00 N ATOM 0 H GLN A 71 -19.668 -2.676 -4.056 1.00 0.00 H new ATOM 0 HA GLN A 71 -18.633 -1.969 -6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -19.491 -0.108 -4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -18.162 0.343 -5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -19.874 -0.270 -7.481 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -21.071 -0.025 -6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -18.221 1.528 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -18.816 3.183 -7.592 1.00 0.00 H new ATOM 1072 N LEU A 72 -16.476 -2.698 -5.752 1.00 0.00 N ATOM 1073 CA LEU A 72 -15.142 -3.023 -5.258 1.00 0.00 C ATOM 1074 C LEU A 72 -14.074 -2.625 -6.271 1.00 0.00 C ATOM 1075 O LEU A 72 -14.330 -2.584 -7.474 1.00 0.00 O ATOM 1076 CB LEU A 72 -15.040 -4.519 -4.953 1.00 0.00 C ATOM 1077 CG LEU A 72 -15.993 -5.052 -3.882 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -16.303 -6.520 -4.128 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -15.400 -4.855 -2.495 1.00 0.00 C ATOM 0 H LEU A 72 -16.675 -3.048 -6.689 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.974 -2.459 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.218 -5.071 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.018 -4.737 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 72 -16.925 -4.490 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.982 -6.883 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.770 -6.634 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.379 -7.097 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.092 -5.240 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.453 -5.391 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.229 -3.793 -2.320 1.00 0.00 H new ATOM 1091 N ARG A 73 -12.875 -2.335 -5.775 1.00 0.00 N ATOM 1092 CA ARG A 73 -11.767 -1.941 -6.637 1.00 0.00 C ATOM 1093 C ARG A 73 -11.134 -3.161 -7.301 1.00 0.00 C ATOM 1094 O ARG A 73 -11.027 -3.228 -8.525 1.00 0.00 O ATOM 1095 CB ARG A 73 -10.712 -1.180 -5.832 1.00 0.00 C ATOM 1096 CG ARG A 73 -11.272 0.002 -5.058 1.00 0.00 C ATOM 1097 CD ARG A 73 -10.204 0.661 -4.199 1.00 0.00 C ATOM 1098 NE ARG A 73 -9.057 1.097 -4.990 1.00 0.00 N ATOM 1099 CZ ARG A 73 -7.861 1.353 -4.471 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -7.658 1.218 -3.168 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -6.866 1.746 -5.256 1.00 0.00 N ATOM 0 H ARG A 73 -12.646 -2.366 -4.781 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.160 -1.288 -7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.235 -1.867 -5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.936 -0.825 -6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.683 0.733 -5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.094 -0.332 -4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.634 1.518 -3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.871 -0.040 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.181 1.211 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.421 0.917 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.739 1.415 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.019 1.852 -6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.948 1.942 -4.857 1.00 0.00 H new ATOM 1115 N SER A 74 -10.717 -4.122 -6.484 1.00 0.00 N ATOM 1116 CA SER A 74 -10.091 -5.338 -6.991 1.00 0.00 C ATOM 1117 C SER A 74 -11.133 -6.274 -7.596 1.00 0.00 C ATOM 1118 O SER A 74 -12.006 -6.786 -6.894 1.00 0.00 O ATOM 1119 CB SER A 74 -9.335 -6.054 -5.870 1.00 0.00 C ATOM 1120 OG SER A 74 -8.422 -5.178 -5.231 1.00 0.00 O ATOM 0 H SER A 74 -10.801 -4.083 -5.468 1.00 0.00 H new ATOM 0 HA SER A 74 -9.385 -5.055 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.044 -6.442 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.798 -6.910 -6.278 1.00 0.00 H new ATOM 0 HG SER A 74 -7.953 -5.658 -4.517 1.00 0.00 H new ATOM 1126 N LEU A 75 -11.035 -6.493 -8.902 1.00 0.00 N ATOM 1127 CA LEU A 75 -11.968 -7.368 -9.603 1.00 0.00 C ATOM 1128 C LEU A 75 -12.093 -8.712 -8.894 1.00 0.00 C ATOM 1129 O LEU A 75 -13.192 -9.241 -8.733 1.00 0.00 O ATOM 1130 CB LEU A 75 -11.511 -7.581 -11.048 1.00 0.00 C ATOM 1131 CG LEU A 75 -12.464 -8.373 -11.943 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -13.682 -7.535 -12.299 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -11.748 -8.840 -13.203 1.00 0.00 C ATOM 0 H LEU A 75 -10.319 -6.077 -9.497 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.946 -6.887 -9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.344 -6.605 -11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.549 -8.094 -11.032 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.802 -9.252 -11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.349 -8.115 -12.937 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.207 -7.251 -11.387 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.364 -6.637 -12.829 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.442 -9.402 -13.828 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.381 -7.975 -13.755 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.908 -9.478 -12.929 1.00 0.00 H new ATOM 1145 N ALA A 76 -10.958 -9.259 -8.469 1.00 0.00 N ATOM 1146 CA ALA A 76 -10.941 -10.539 -7.773 1.00 0.00 C ATOM 1147 C ALA A 76 -11.961 -10.562 -6.640 1.00 0.00 C ATOM 1148 O ALA A 76 -12.885 -11.374 -6.639 1.00 0.00 O ATOM 1149 CB ALA A 76 -9.547 -10.829 -7.236 1.00 0.00 C ATOM 0 H ALA A 76 -10.039 -8.835 -8.595 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.213 -11.316 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.549 -11.788 -6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.838 -10.865 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.254 -10.042 -6.541 1.00 0.00 H new ATOM 1155 N GLY A 77 -11.786 -9.664 -5.674 1.00 0.00 N ATOM 1156 CA GLY A 77 -12.699 -9.599 -4.548 1.00 0.00 C ATOM 1157 C GLY A 77 -14.153 -9.610 -4.978 1.00 0.00 C ATOM 1158 O GLY A 77 -14.964 -10.353 -4.427 1.00 0.00 O ATOM 0 H GLY A 77 -11.029 -8.981 -5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.513 -10.444 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.500 -8.694 -3.975 1.00 0.00 H new ATOM 1162 N MET A 78 -14.482 -8.783 -5.965 1.00 0.00 N ATOM 1163 CA MET A 78 -15.848 -8.700 -6.468 1.00 0.00 C ATOM 1164 C MET A 78 -16.283 -10.028 -7.081 1.00 0.00 C ATOM 1165 O MET A 78 -17.220 -10.668 -6.602 1.00 0.00 O ATOM 1166 CB MET A 78 -15.965 -7.583 -7.507 1.00 0.00 C ATOM 1167 CG MET A 78 -17.248 -7.642 -8.321 1.00 0.00 C ATOM 1168 SD MET A 78 -17.236 -6.502 -9.718 1.00 0.00 S ATOM 1169 CE MET A 78 -17.772 -4.988 -8.924 1.00 0.00 C ATOM 0 H MET A 78 -13.822 -8.161 -6.432 1.00 0.00 H new ATOM 0 HA MET A 78 -16.505 -8.475 -5.628 1.00 0.00 H new ATOM 0 HB2 MET A 78 -15.910 -6.619 -7.000 1.00 0.00 H new ATOM 0 HB3 MET A 78 -15.112 -7.637 -8.184 1.00 0.00 H new ATOM 0 HG2 MET A 78 -17.395 -8.658 -8.687 1.00 0.00 H new ATOM 0 HG3 MET A 78 -18.095 -7.410 -7.675 1.00 0.00 H new ATOM 0 HE1 MET A 78 -17.713 -4.164 -9.635 1.00 0.00 H new ATOM 0 HE2 MET A 78 -18.801 -5.100 -8.584 1.00 0.00 H new ATOM 0 HE3 MET A 78 -17.128 -4.777 -8.070 1.00 0.00 H new ATOM 1179 N LYS A 79 -15.597 -10.437 -8.143 1.00 0.00 N ATOM 1180 CA LYS A 79 -15.912 -11.688 -8.822 1.00 0.00 C ATOM 1181 C LYS A 79 -16.261 -12.780 -7.815 1.00 0.00 C ATOM 1182 O LYS A 79 -17.044 -13.683 -8.111 1.00 0.00 O ATOM 1183 CB LYS A 79 -14.729 -12.135 -9.684 1.00 0.00 C ATOM 1184 CG LYS A 79 -14.703 -11.492 -11.060 1.00 0.00 C ATOM 1185 CD LYS A 79 -13.589 -12.063 -11.921 1.00 0.00 C ATOM 1186 CE LYS A 79 -13.948 -12.021 -13.399 1.00 0.00 C ATOM 1187 NZ LYS A 79 -12.774 -12.318 -14.264 1.00 0.00 N ATOM 0 H LYS A 79 -14.819 -9.920 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.778 -11.518 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.801 -11.898 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.763 -13.218 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.662 -11.648 -11.554 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.569 -10.415 -10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.672 -11.499 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.389 -13.092 -11.623 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.740 -12.743 -13.601 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.343 -11.036 -13.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.060 -12.279 -15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.028 -11.615 -14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.412 -13.268 -14.044 1.00 0.00 H new ATOM 1201 N TYR A 80 -15.678 -12.690 -6.626 1.00 0.00 N ATOM 1202 CA TYR A 80 -15.927 -13.671 -5.576 1.00 0.00 C ATOM 1203 C TYR A 80 -17.275 -13.421 -4.906 1.00 0.00 C ATOM 1204 O TYR A 80 -18.000 -14.359 -4.573 1.00 0.00 O ATOM 1205 CB TYR A 80 -14.810 -13.627 -4.532 1.00 0.00 C ATOM 1206 CG TYR A 80 -14.839 -14.789 -3.565 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -14.322 -16.028 -3.922 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -15.384 -14.648 -2.295 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -14.347 -17.093 -3.043 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -15.411 -15.707 -1.408 1.00 0.00 C ATOM 1211 CZ TYR A 80 -14.892 -16.927 -1.787 1.00 0.00 C ATOM 1212 OH TYR A 80 -14.919 -17.985 -0.907 1.00 0.00 O ATOM 0 H TYR A 80 -15.029 -11.948 -6.364 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.947 -14.660 -6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.847 -13.614 -5.043 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.885 -12.696 -3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.893 -16.161 -4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -15.794 -13.694 -1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.942 -18.050 -3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -15.836 -15.580 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.335 -17.701 -0.066 1.00 0.00 H new ATOM 1222 N HIS A 81 -17.605 -12.148 -4.713 1.00 0.00 N ATOM 1223 CA HIS A 81 -18.867 -11.772 -4.084 1.00 0.00 C ATOM 1224 C HIS A 81 -20.045 -12.437 -4.790 1.00 0.00 C ATOM 1225 O HIS A 81 -21.055 -12.760 -4.164 1.00 0.00 O ATOM 1226 CB HIS A 81 -19.037 -10.253 -4.102 1.00 0.00 C ATOM 1227 CG HIS A 81 -19.776 -9.747 -5.302 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -19.197 -8.938 -6.257 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -21.055 -9.942 -5.702 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -20.088 -8.655 -7.190 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -21.223 -9.253 -6.878 1.00 0.00 N ATOM 0 H HIS A 81 -17.017 -11.360 -4.983 1.00 0.00 H new ATOM 0 HA HIS A 81 -18.846 -12.115 -3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -19.568 -9.945 -3.202 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -18.053 -9.785 -4.068 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -21.803 -10.530 -5.191 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -19.917 -8.039 -8.060 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -22.085 -9.210 -7.422 1.00 0.00 H new ATOM 1239 N VAL A 82 -19.909 -12.637 -6.097 1.00 0.00 N ATOM 1240 CA VAL A 82 -20.961 -13.263 -6.888 1.00 0.00 C ATOM 1241 C VAL A 82 -21.068 -14.753 -6.581 1.00 0.00 C ATOM 1242 O VAL A 82 -22.154 -15.265 -6.315 1.00 0.00 O ATOM 1243 CB VAL A 82 -20.715 -13.078 -8.397 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -21.852 -13.686 -9.203 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -20.542 -11.604 -8.731 1.00 0.00 C ATOM 0 H VAL A 82 -19.080 -12.374 -6.630 1.00 0.00 H new ATOM 0 HA VAL A 82 -21.895 -12.771 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 82 -19.795 -13.598 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -21.660 -13.545 -10.267 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -21.923 -14.752 -8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -22.789 -13.198 -8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -20.369 -11.491 -9.801 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -21.443 -11.059 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -19.690 -11.204 -8.182 1.00 0.00 H new ATOM 1255 N MET A 83 -19.932 -15.442 -6.619 1.00 0.00 N ATOM 1256 CA MET A 83 -19.897 -16.873 -6.342 1.00 0.00 C ATOM 1257 C MET A 83 -20.281 -17.156 -4.893 1.00 0.00 C ATOM 1258 O MET A 83 -20.675 -18.271 -4.552 1.00 0.00 O ATOM 1259 CB MET A 83 -18.505 -17.437 -6.633 1.00 0.00 C ATOM 1260 CG MET A 83 -18.233 -17.650 -8.113 1.00 0.00 C ATOM 1261 SD MET A 83 -16.554 -18.225 -8.435 1.00 0.00 S ATOM 1262 CE MET A 83 -15.677 -16.667 -8.535 1.00 0.00 C ATOM 0 H MET A 83 -19.024 -15.032 -6.839 1.00 0.00 H new ATOM 0 HA MET A 83 -20.622 -17.361 -6.993 1.00 0.00 H new ATOM 0 HB2 MET A 83 -17.755 -16.758 -6.228 1.00 0.00 H new ATOM 0 HB3 MET A 83 -18.390 -18.387 -6.110 1.00 0.00 H new ATOM 0 HG2 MET A 83 -18.944 -18.376 -8.508 1.00 0.00 H new ATOM 0 HG3 MET A 83 -18.402 -16.715 -8.648 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.745 -16.809 -9.082 1.00 0.00 H new ATOM 0 HE2 MET A 83 -16.295 -15.934 -9.055 1.00 0.00 H new ATOM 0 HE3 MET A 83 -15.457 -16.308 -7.530 1.00 0.00 H new ATOM 1272 N ALA A 84 -20.162 -16.140 -4.045 1.00 0.00 N ATOM 1273 CA ALA A 84 -20.498 -16.280 -2.633 1.00 0.00 C ATOM 1274 C ALA A 84 -21.969 -15.963 -2.385 1.00 0.00 C ATOM 1275 O ALA A 84 -22.727 -16.815 -1.924 1.00 0.00 O ATOM 1276 CB ALA A 84 -19.611 -15.378 -1.788 1.00 0.00 C ATOM 0 H ALA A 84 -19.836 -15.211 -4.311 1.00 0.00 H new ATOM 0 HA ALA A 84 -20.323 -17.316 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -19.873 -15.493 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -18.567 -15.654 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -19.757 -14.340 -2.087 1.00 0.00 H new ATOM 1282 N ASN A 85 -22.364 -14.732 -2.693 1.00 0.00 N ATOM 1283 CA ASN A 85 -23.744 -14.302 -2.502 1.00 0.00 C ATOM 1284 C ASN A 85 -24.658 -14.925 -3.553 1.00 0.00 C ATOM 1285 O ASN A 85 -25.602 -15.644 -3.223 1.00 0.00 O ATOM 1286 CB ASN A 85 -23.839 -12.777 -2.566 1.00 0.00 C ATOM 1287 CG ASN A 85 -23.027 -12.100 -1.478 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -23.397 -12.129 -0.304 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -21.914 -11.488 -1.865 1.00 0.00 N ATOM 0 H ASN A 85 -21.748 -14.015 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 85 -24.070 -14.638 -1.518 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -23.492 -12.435 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -24.883 -12.477 -2.476 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -21.326 -11.016 -1.178 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -21.647 -11.490 -2.849 1.00 0.00 H new ATOM 1296 N HIS A 86 -24.372 -14.643 -4.820 1.00 0.00 N ATOM 1297 CA HIS A 86 -25.167 -15.176 -5.920 1.00 0.00 C ATOM 1298 C HIS A 86 -24.677 -16.564 -6.323 1.00 0.00 C ATOM 1299 O HIS A 86 -24.621 -16.893 -7.507 1.00 0.00 O ATOM 1300 CB HIS A 86 -25.109 -14.233 -7.123 1.00 0.00 C ATOM 1301 CG HIS A 86 -25.204 -12.785 -6.754 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -26.166 -12.287 -5.900 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -24.449 -11.725 -7.126 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -26.000 -10.984 -5.765 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -24.964 -10.617 -6.498 1.00 0.00 N ATOM 0 H HIS A 86 -23.596 -14.048 -5.110 1.00 0.00 H new ATOM 0 HA HIS A 86 -26.200 -15.259 -5.582 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -24.177 -14.402 -7.662 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -25.921 -14.479 -7.807 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -23.600 -11.746 -7.793 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -26.608 -10.329 -5.158 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -24.605 -9.666 -6.584 1.00 0.00 H new