USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 447 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 17 THR OG1 : rot 180:sc= -0.883 USER MOD Set 1.2: A 20 GLN : amide:sc= -5.23! C(o=-6.1!,f=-3.3!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0636 (180deg=-0.392) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.35! K(o=-4.3!,f=-1.9) USER MOD Single : A 32 MET CE :methyl 156:sc= -0.264 (180deg=-1.15) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.04 K(o=-1,f=-5.5!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 59 ASN : amide:sc= 0.526 K(o=0.53,f=-0.048) USER MOD Single : A 62 MET CE :methyl -159:sc= -0.223 (180deg=-0.936) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -1.56! (180deg=-3.73!) USER MOD ----------------------------------------------------------------- ATOM 264 N TYR A 16 -2.616 8.662 1.840 1.00 0.00 N ATOM 265 CA TYR A 16 -2.686 7.223 1.970 1.00 0.00 C ATOM 266 C TYR A 16 -3.624 6.615 0.937 1.00 0.00 C ATOM 267 O TYR A 16 -4.531 7.282 0.436 1.00 0.00 O ATOM 268 CB TYR A 16 -3.153 6.856 3.372 1.00 0.00 C ATOM 269 CG TYR A 16 -4.400 7.581 3.828 1.00 0.00 C ATOM 270 CD1 TYR A 16 -5.664 7.067 3.563 1.00 0.00 C ATOM 271 CD2 TYR A 16 -4.312 8.772 4.538 1.00 0.00 C ATOM 272 CE1 TYR A 16 -6.803 7.722 3.990 1.00 0.00 C ATOM 273 CE2 TYR A 16 -5.446 9.430 4.971 1.00 0.00 C ATOM 274 CZ TYR A 16 -6.689 8.901 4.694 1.00 0.00 C ATOM 275 OH TYR A 16 -7.822 9.553 5.124 1.00 0.00 O ATOM 0 HA TYR A 16 -1.689 6.819 1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.338 5.782 3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.348 7.066 4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.757 6.141 3.015 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.340 9.190 4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.778 7.312 3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.360 10.354 5.524 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.568 10.368 5.606 1.00 0.00 H new ATOM 285 N THR A 17 -3.398 5.345 0.623 1.00 0.00 N ATOM 286 CA THR A 17 -4.229 4.641 -0.344 1.00 0.00 C ATOM 287 C THR A 17 -5.326 3.855 0.347 1.00 0.00 C ATOM 288 O THR A 17 -5.320 3.699 1.567 1.00 0.00 O ATOM 289 CB THR A 17 -3.408 3.662 -1.201 1.00 0.00 C ATOM 290 OG1 THR A 17 -2.603 2.826 -0.364 1.00 0.00 O ATOM 291 CG2 THR A 17 -2.526 4.408 -2.178 1.00 0.00 C ATOM 0 H THR A 17 -2.647 4.783 1.024 1.00 0.00 H new ATOM 0 HA THR A 17 -4.663 5.407 -0.986 1.00 0.00 H new ATOM 0 HB THR A 17 -4.104 3.042 -1.766 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.086 2.206 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.956 3.694 -2.772 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.146 5.015 -2.837 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.840 5.053 -1.629 1.00 0.00 H new ATOM 299 N LYS A 18 -6.268 3.363 -0.445 1.00 0.00 N ATOM 300 CA LYS A 18 -7.364 2.571 0.081 1.00 0.00 C ATOM 301 C LYS A 18 -6.861 1.181 0.443 1.00 0.00 C ATOM 302 O LYS A 18 -7.482 0.466 1.231 1.00 0.00 O ATOM 303 CB LYS A 18 -8.487 2.475 -0.952 1.00 0.00 C ATOM 304 CG LYS A 18 -8.030 1.929 -2.296 1.00 0.00 C ATOM 305 CD LYS A 18 -9.128 2.017 -3.346 1.00 0.00 C ATOM 306 CE LYS A 18 -10.301 1.112 -3.007 1.00 0.00 C ATOM 307 NZ LYS A 18 -9.883 -0.312 -2.881 1.00 0.00 N ATOM 0 H LYS A 18 -6.293 3.500 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.757 3.052 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.278 1.836 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.920 3.464 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.157 2.485 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.721 0.890 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.474 3.048 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.724 1.740 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.756 1.441 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.063 1.200 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.722 -0.925 -2.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.239 -0.555 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.395 -0.452 -1.973 1.00 0.00 H new ATOM 321 N TYR A 19 -5.721 0.811 -0.135 1.00 0.00 N ATOM 322 CA TYR A 19 -5.125 -0.496 0.116 1.00 0.00 C ATOM 323 C TYR A 19 -4.300 -0.486 1.400 1.00 0.00 C ATOM 324 O TYR A 19 -4.430 -1.379 2.239 1.00 0.00 O ATOM 325 CB TYR A 19 -4.245 -0.906 -1.064 1.00 0.00 C ATOM 326 CG TYR A 19 -4.266 -2.390 -1.347 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.283 -2.953 -2.105 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.271 -3.227 -0.857 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.309 -4.309 -2.368 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.289 -4.584 -1.117 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.311 -5.119 -1.872 1.00 0.00 C ATOM 332 OH TYR A 19 -4.334 -6.470 -2.134 1.00 0.00 O ATOM 0 H TYR A 19 -5.193 1.398 -0.780 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.932 -1.219 0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.573 -0.370 -1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.219 -0.597 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.067 -2.321 -2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.471 -2.810 -0.263 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.108 -4.732 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.507 -5.222 -0.731 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.559 -6.898 -1.714 1.00 0.00 H new ATOM 342 N GLN A 20 -3.450 0.528 1.547 1.00 0.00 N ATOM 343 CA GLN A 20 -2.598 0.646 2.724 1.00 0.00 C ATOM 344 C GLN A 20 -3.431 0.805 3.994 1.00 0.00 C ATOM 345 O GLN A 20 -3.046 0.329 5.063 1.00 0.00 O ATOM 346 CB GLN A 20 -1.628 1.823 2.567 1.00 0.00 C ATOM 347 CG GLN A 20 -2.284 3.185 2.625 1.00 0.00 C ATOM 348 CD GLN A 20 -1.260 4.307 2.663 1.00 0.00 C ATOM 349 OE1 GLN A 20 -0.887 4.782 3.736 1.00 0.00 O ATOM 350 NE2 GLN A 20 -0.786 4.721 1.495 1.00 0.00 N ATOM 0 H GLN A 20 -3.334 1.278 0.866 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.020 -0.274 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.873 1.763 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.107 1.724 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.931 3.313 1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.920 3.244 3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.123 4.300 0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.084 5.461 1.463 1.00 0.00 H new ATOM 359 N THR A 21 -4.574 1.474 3.872 1.00 0.00 N ATOM 360 CA THR A 21 -5.458 1.687 5.014 1.00 0.00 C ATOM 361 C THR A 21 -6.342 0.468 5.259 1.00 0.00 C ATOM 362 O THR A 21 -6.801 0.238 6.377 1.00 0.00 O ATOM 363 CB THR A 21 -6.351 2.927 4.815 1.00 0.00 C ATOM 364 OG1 THR A 21 -7.109 3.177 6.005 1.00 0.00 O ATOM 365 CG2 THR A 21 -7.297 2.735 3.639 1.00 0.00 C ATOM 0 H THR A 21 -4.909 1.877 2.997 1.00 0.00 H new ATOM 0 HA THR A 21 -4.819 1.849 5.882 1.00 0.00 H new ATOM 0 HB THR A 21 -5.706 3.780 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.674 3.967 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.916 3.625 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.719 2.572 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.935 1.871 3.823 1.00 0.00 H new ATOM 373 N LEU A 22 -6.578 -0.309 4.205 1.00 0.00 N ATOM 374 CA LEU A 22 -7.407 -1.502 4.298 1.00 0.00 C ATOM 375 C LEU A 22 -6.793 -2.520 5.256 1.00 0.00 C ATOM 376 O LEU A 22 -7.501 -3.174 6.020 1.00 0.00 O ATOM 377 CB LEU A 22 -7.589 -2.108 2.900 1.00 0.00 C ATOM 378 CG LEU A 22 -7.563 -3.635 2.825 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.826 -4.227 3.432 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.397 -4.091 1.383 1.00 0.00 C ATOM 0 H LEU A 22 -6.204 -0.130 3.273 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.383 -1.225 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.539 -1.760 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.804 -1.718 2.251 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.710 -3.993 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.786 -5.314 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.902 -3.928 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.697 -3.863 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.380 -5.180 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.230 -3.720 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.462 -3.700 0.983 1.00 0.00 H new ATOM 392 N GLU A 23 -5.473 -2.651 5.208 1.00 0.00 N ATOM 393 CA GLU A 23 -4.768 -3.594 6.069 1.00 0.00 C ATOM 394 C GLU A 23 -4.515 -3.000 7.455 1.00 0.00 C ATOM 395 O GLU A 23 -4.754 -3.651 8.475 1.00 0.00 O ATOM 396 CB GLU A 23 -3.447 -4.006 5.417 1.00 0.00 C ATOM 397 CG GLU A 23 -3.612 -5.034 4.310 1.00 0.00 C ATOM 398 CD GLU A 23 -4.193 -6.342 4.810 1.00 0.00 C ATOM 399 OE1 GLU A 23 -3.409 -7.227 5.209 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.436 -6.480 4.803 1.00 0.00 O ATOM 0 H GLU A 23 -4.869 -2.117 4.583 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.396 -4.476 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.960 -3.120 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.784 -4.411 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.260 -4.626 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.643 -5.224 3.849 1.00 0.00 H new ATOM 407 N LEU A 24 -4.038 -1.760 7.483 1.00 0.00 N ATOM 408 CA LEU A 24 -3.745 -1.082 8.743 1.00 0.00 C ATOM 409 C LEU A 24 -4.992 -0.954 9.614 1.00 0.00 C ATOM 410 O LEU A 24 -4.891 -0.871 10.838 1.00 0.00 O ATOM 411 CB LEU A 24 -3.145 0.301 8.477 1.00 0.00 C ATOM 412 CG LEU A 24 -1.613 0.358 8.480 1.00 0.00 C ATOM 413 CD1 LEU A 24 -1.036 -0.569 7.419 1.00 0.00 C ATOM 414 CD2 LEU A 24 -1.134 1.785 8.260 1.00 0.00 C ATOM 0 H LEU A 24 -3.846 -1.204 6.650 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.019 -1.689 9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.504 0.656 7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.520 0.994 9.231 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.260 0.021 9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.052 -0.512 7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.350 -1.593 7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.397 -0.266 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.044 1.808 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.500 2.148 7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.514 2.423 9.058 1.00 0.00 H new ATOM 426 N GLU A 25 -6.167 -0.940 8.986 1.00 0.00 N ATOM 427 CA GLU A 25 -7.417 -0.822 9.732 1.00 0.00 C ATOM 428 C GLU A 25 -7.828 -2.171 10.313 1.00 0.00 C ATOM 429 O GLU A 25 -8.408 -2.235 11.397 1.00 0.00 O ATOM 430 CB GLU A 25 -8.536 -0.263 8.845 1.00 0.00 C ATOM 431 CG GLU A 25 -9.038 -1.238 7.791 1.00 0.00 C ATOM 432 CD GLU A 25 -10.263 -0.724 7.059 1.00 0.00 C ATOM 433 OE1 GLU A 25 -11.355 -0.712 7.666 1.00 0.00 O ATOM 434 OE2 GLU A 25 -10.129 -0.332 5.880 1.00 0.00 O ATOM 0 H GLU A 25 -6.279 -1.008 7.974 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.251 -0.125 10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.372 0.034 9.478 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.176 0.638 8.349 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.243 -1.430 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.275 -2.190 8.265 1.00 0.00 H new ATOM 441 N LYS A 26 -7.523 -3.246 9.589 1.00 0.00 N ATOM 442 CA LYS A 26 -7.856 -4.592 10.044 1.00 0.00 C ATOM 443 C LYS A 26 -7.266 -4.850 11.423 1.00 0.00 C ATOM 444 O LYS A 26 -7.905 -5.461 12.281 1.00 0.00 O ATOM 445 CB LYS A 26 -7.343 -5.638 9.051 1.00 0.00 C ATOM 446 CG LYS A 26 -8.133 -5.688 7.754 1.00 0.00 C ATOM 447 CD LYS A 26 -9.523 -6.267 7.965 1.00 0.00 C ATOM 448 CE LYS A 26 -10.308 -6.315 6.665 1.00 0.00 C ATOM 449 NZ LYS A 26 -11.644 -6.949 6.844 1.00 0.00 N ATOM 0 H LYS A 26 -7.047 -3.210 8.687 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.941 -4.671 10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.298 -5.427 8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.374 -6.620 9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.216 -4.683 7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.595 -6.291 7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.441 -7.272 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.063 -5.664 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.435 -5.303 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.740 -6.870 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.147 -6.962 5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.523 -7.924 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.196 -6.405 7.537 1.00 0.00 H new ATOM 463 N GLU A 27 -6.039 -4.381 11.629 1.00 0.00 N ATOM 464 CA GLU A 27 -5.362 -4.550 12.911 1.00 0.00 C ATOM 465 C GLU A 27 -5.761 -3.441 13.876 1.00 0.00 C ATOM 466 O GLU A 27 -5.884 -3.667 15.079 1.00 0.00 O ATOM 467 CB GLU A 27 -3.844 -4.551 12.714 1.00 0.00 C ATOM 468 CG GLU A 27 -3.357 -5.604 11.734 1.00 0.00 C ATOM 469 CD GLU A 27 -1.901 -5.421 11.357 1.00 0.00 C ATOM 470 OE1 GLU A 27 -1.026 -5.878 12.123 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.633 -4.821 10.294 1.00 0.00 O ATOM 0 H GLU A 27 -5.494 -3.882 10.926 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.664 -5.508 13.335 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.531 -3.568 12.362 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.361 -4.713 13.678 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.493 -6.593 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.969 -5.567 10.833 1.00 0.00 H new ATOM 478 N PHE A 28 -5.965 -2.245 13.333 1.00 0.00 N ATOM 479 CA PHE A 28 -6.358 -1.085 14.127 1.00 0.00 C ATOM 480 C PHE A 28 -7.550 -1.406 15.028 1.00 0.00 C ATOM 481 O PHE A 28 -7.783 -0.730 16.030 1.00 0.00 O ATOM 482 CB PHE A 28 -6.697 0.093 13.209 1.00 0.00 C ATOM 483 CG PHE A 28 -7.083 1.345 13.945 1.00 0.00 C ATOM 484 CD1 PHE A 28 -6.113 2.176 14.481 1.00 0.00 C ATOM 485 CD2 PHE A 28 -8.416 1.689 14.100 1.00 0.00 C ATOM 486 CE1 PHE A 28 -6.466 3.328 15.159 1.00 0.00 C ATOM 487 CE2 PHE A 28 -8.775 2.839 14.777 1.00 0.00 C ATOM 488 CZ PHE A 28 -7.798 3.660 15.307 1.00 0.00 C ATOM 0 H PHE A 28 -5.863 -2.053 12.336 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.516 -0.814 14.764 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.837 0.306 12.575 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.515 -0.196 12.550 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.070 1.921 14.368 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -9.183 1.051 13.687 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.700 3.968 15.573 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.818 3.096 14.892 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.076 4.560 15.836 1.00 0.00 H new ATOM 498 N LEU A 29 -8.305 -2.436 14.662 1.00 0.00 N ATOM 499 CA LEU A 29 -9.479 -2.831 15.429 1.00 0.00 C ATOM 500 C LEU A 29 -9.090 -3.284 16.825 1.00 0.00 C ATOM 501 O LEU A 29 -9.523 -2.713 17.825 1.00 0.00 O ATOM 502 CB LEU A 29 -10.236 -3.951 14.708 1.00 0.00 C ATOM 503 CG LEU A 29 -10.405 -3.760 13.197 1.00 0.00 C ATOM 504 CD1 LEU A 29 -11.231 -4.891 12.604 1.00 0.00 C ATOM 505 CD2 LEU A 29 -11.048 -2.415 12.894 1.00 0.00 C ATOM 0 H LEU A 29 -8.125 -3.012 13.840 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.130 -1.961 15.518 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.713 -4.891 14.882 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.224 -4.048 15.158 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.416 -3.778 12.738 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.340 -4.738 11.530 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.730 -5.842 12.786 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.216 -4.905 13.070 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.159 -2.299 11.816 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.029 -2.366 13.367 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.418 -1.615 13.282 1.00 0.00 H new ATOM 517 N PHE A 30 -8.266 -4.314 16.876 1.00 0.00 N ATOM 518 CA PHE A 30 -7.807 -4.873 18.142 1.00 0.00 C ATOM 519 C PHE A 30 -6.362 -4.479 18.422 1.00 0.00 C ATOM 520 O PHE A 30 -6.057 -3.885 19.455 1.00 0.00 O ATOM 521 CB PHE A 30 -7.944 -6.399 18.114 1.00 0.00 C ATOM 522 CG PHE A 30 -7.945 -7.044 19.473 1.00 0.00 C ATOM 523 CD1 PHE A 30 -8.803 -6.601 20.468 1.00 0.00 C ATOM 524 CD2 PHE A 30 -7.090 -8.098 19.753 1.00 0.00 C ATOM 525 CE1 PHE A 30 -8.809 -7.198 21.715 1.00 0.00 C ATOM 526 CE2 PHE A 30 -7.092 -8.699 20.997 1.00 0.00 C ATOM 527 CZ PHE A 30 -7.952 -8.248 21.979 1.00 0.00 C ATOM 0 H PHE A 30 -7.896 -4.786 16.051 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.427 -4.470 18.943 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.869 -6.660 17.600 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.125 -6.815 17.527 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.475 -5.780 20.266 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.414 -8.454 18.990 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.483 -6.844 22.481 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.422 -9.521 21.201 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.954 -8.716 22.952 1.00 0.00 H new ATOM 537 N ASN A 31 -5.490 -4.800 17.472 1.00 0.00 N ATOM 538 CA ASN A 31 -4.051 -4.518 17.570 1.00 0.00 C ATOM 539 C ASN A 31 -3.494 -4.743 18.978 1.00 0.00 C ATOM 540 O ASN A 31 -2.457 -4.183 19.334 1.00 0.00 O ATOM 541 CB ASN A 31 -3.744 -3.088 17.127 1.00 0.00 C ATOM 542 CG ASN A 31 -4.564 -2.058 17.874 1.00 0.00 C ATOM 543 OD1 ASN A 31 -4.154 -1.557 18.923 1.00 0.00 O ATOM 544 ND2 ASN A 31 -5.731 -1.737 17.336 1.00 0.00 N ATOM 0 H ASN A 31 -5.757 -5.266 16.605 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.560 -5.226 16.902 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.684 -2.884 17.280 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.936 -2.994 16.058 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.331 -1.049 17.792 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.030 -2.177 16.466 1.00 0.00 H new ATOM 551 N MET A 32 -4.170 -5.564 19.773 1.00 0.00 N ATOM 552 CA MET A 32 -3.721 -5.850 21.125 1.00 0.00 C ATOM 553 C MET A 32 -2.836 -7.087 21.138 1.00 0.00 C ATOM 554 O MET A 32 -2.145 -7.366 22.118 1.00 0.00 O ATOM 555 CB MET A 32 -4.924 -6.054 22.039 1.00 0.00 C ATOM 556 CG MET A 32 -5.594 -4.755 22.449 1.00 0.00 C ATOM 557 SD MET A 32 -6.832 -4.982 23.740 1.00 0.00 S ATOM 558 CE MET A 32 -5.825 -5.644 25.065 1.00 0.00 C ATOM 0 H MET A 32 -5.030 -6.042 19.503 1.00 0.00 H new ATOM 0 HA MET A 32 -3.139 -5.004 21.489 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.653 -6.687 21.533 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.605 -6.588 22.934 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.835 -4.055 22.799 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.065 -4.304 21.576 1.00 0.00 H new ATOM 0 HE1 MET A 32 -6.306 -5.444 26.022 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.712 -6.720 24.933 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.843 -5.171 25.047 1.00 0.00 H new ATOM 568 N TYR A 33 -2.865 -7.812 20.030 1.00 0.00 N ATOM 569 CA TYR A 33 -2.077 -9.029 19.877 1.00 0.00 C ATOM 570 C TYR A 33 -1.758 -9.279 18.406 1.00 0.00 C ATOM 571 O TYR A 33 -2.639 -9.199 17.549 1.00 0.00 O ATOM 572 CB TYR A 33 -2.831 -10.229 20.455 1.00 0.00 C ATOM 573 CG TYR A 33 -2.762 -10.330 21.963 1.00 0.00 C ATOM 574 CD1 TYR A 33 -1.643 -10.861 22.592 1.00 0.00 C ATOM 575 CD2 TYR A 33 -3.818 -9.898 22.758 1.00 0.00 C ATOM 576 CE1 TYR A 33 -1.576 -10.958 23.968 1.00 0.00 C ATOM 577 CE2 TYR A 33 -3.757 -9.992 24.136 1.00 0.00 C ATOM 578 CZ TYR A 33 -2.635 -10.523 24.736 1.00 0.00 C ATOM 579 OH TYR A 33 -2.570 -10.619 26.107 1.00 0.00 O ATOM 0 H TYR A 33 -3.431 -7.577 19.215 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.142 -8.901 20.423 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.876 -10.168 20.153 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.426 -11.143 20.021 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.811 -11.204 21.995 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.699 -9.483 22.292 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.698 -11.373 24.440 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.585 -9.651 24.740 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.397 -10.268 26.499 1.00 0.00 H new ATOM 589 N LEU A 34 -0.497 -9.581 18.119 1.00 0.00 N ATOM 590 CA LEU A 34 -0.071 -9.844 16.749 1.00 0.00 C ATOM 591 C LEU A 34 0.950 -10.976 16.707 1.00 0.00 C ATOM 592 O LEU A 34 1.787 -11.104 17.601 1.00 0.00 O ATOM 593 CB LEU A 34 0.526 -8.581 16.124 1.00 0.00 C ATOM 594 CG LEU A 34 0.487 -8.536 14.596 1.00 0.00 C ATOM 595 CD1 LEU A 34 -0.936 -8.316 14.105 1.00 0.00 C ATOM 596 CD2 LEU A 34 1.409 -7.447 14.073 1.00 0.00 C ATOM 0 H LEU A 34 0.246 -9.650 18.814 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.947 -10.145 16.174 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.009 -7.714 16.512 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.562 -8.488 16.449 1.00 0.00 H new ATOM 0 HG LEU A 34 0.836 -9.495 14.213 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.944 -8.287 13.015 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.571 -9.132 14.451 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.314 -7.371 14.496 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.369 -7.429 12.984 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.090 -6.481 14.464 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.430 -7.649 14.395 1.00 0.00 H new ATOM 608 N THR A 35 0.872 -11.797 15.665 1.00 0.00 N ATOM 609 CA THR A 35 1.786 -12.922 15.506 1.00 0.00 C ATOM 610 C THR A 35 2.580 -12.806 14.208 1.00 0.00 C ATOM 611 O THR A 35 2.309 -11.939 13.377 1.00 0.00 O ATOM 612 CB THR A 35 1.031 -14.266 15.518 1.00 0.00 C ATOM 613 OG1 THR A 35 1.956 -15.352 15.380 1.00 0.00 O ATOM 614 CG2 THR A 35 0.004 -14.322 14.398 1.00 0.00 C ATOM 0 H THR A 35 0.184 -11.704 14.917 1.00 0.00 H new ATOM 0 HA THR A 35 2.473 -12.894 16.352 1.00 0.00 H new ATOM 0 HB THR A 35 0.510 -14.354 16.471 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.467 -16.201 15.390 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.515 -15.280 14.428 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.717 -13.514 14.525 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.507 -14.212 13.437 1.00 0.00 H new ATOM 622 N ARG A 36 3.563 -13.684 14.045 1.00 0.00 N ATOM 623 CA ARG A 36 4.400 -13.690 12.852 1.00 0.00 C ATOM 624 C ARG A 36 3.576 -13.994 11.606 1.00 0.00 C ATOM 625 O ARG A 36 3.842 -13.464 10.528 1.00 0.00 O ATOM 626 CB ARG A 36 5.512 -14.721 12.996 1.00 0.00 C ATOM 627 CG ARG A 36 6.664 -14.492 12.037 1.00 0.00 C ATOM 628 CD ARG A 36 7.764 -15.514 12.240 1.00 0.00 C ATOM 629 NE ARG A 36 8.348 -15.436 13.576 1.00 0.00 N ATOM 630 CZ ARG A 36 9.163 -16.361 14.078 1.00 0.00 C ATOM 631 NH1 ARG A 36 9.479 -17.431 13.360 1.00 0.00 N ATOM 632 NH2 ARG A 36 9.660 -16.216 15.300 1.00 0.00 N ATOM 0 H ARG A 36 3.800 -14.404 14.728 1.00 0.00 H new ATOM 0 HA ARG A 36 4.838 -12.698 12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.889 -14.700 14.019 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.100 -15.716 12.829 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.301 -14.545 11.011 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.066 -13.489 12.182 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.363 -16.514 12.078 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.544 -15.359 11.495 1.00 0.00 H new ATOM 0 HE ARG A 36 8.119 -14.629 14.156 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.097 -17.546 12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.104 -18.138 13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.417 -15.395 15.855 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.284 -16.925 15.684 1.00 0.00 H new ATOM 646 N ASP A 37 2.579 -14.857 11.765 1.00 0.00 N ATOM 647 CA ASP A 37 1.712 -15.243 10.658 1.00 0.00 C ATOM 648 C ASP A 37 0.955 -14.042 10.101 1.00 0.00 C ATOM 649 O ASP A 37 0.780 -13.915 8.888 1.00 0.00 O ATOM 650 CB ASP A 37 0.721 -16.319 11.109 1.00 0.00 C ATOM 651 CG ASP A 37 1.417 -17.575 11.595 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.793 -17.623 12.785 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.584 -18.512 10.786 1.00 0.00 O ATOM 0 H ASP A 37 2.351 -15.304 12.653 1.00 0.00 H new ATOM 0 HA ASP A 37 2.344 -15.645 9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.095 -15.921 11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.059 -16.571 10.280 1.00 0.00 H new ATOM 658 N ARG A 38 0.509 -13.159 10.990 1.00 0.00 N ATOM 659 CA ARG A 38 -0.231 -11.972 10.579 1.00 0.00 C ATOM 660 C ARG A 38 0.695 -10.964 9.907 1.00 0.00 C ATOM 661 O ARG A 38 0.393 -10.454 8.830 1.00 0.00 O ATOM 662 CB ARG A 38 -0.923 -11.326 11.782 1.00 0.00 C ATOM 663 CG ARG A 38 -1.906 -10.229 11.403 1.00 0.00 C ATOM 664 CD ARG A 38 -3.091 -10.783 10.629 1.00 0.00 C ATOM 665 NE ARG A 38 -3.860 -11.741 11.419 1.00 0.00 N ATOM 666 CZ ARG A 38 -4.958 -12.348 10.980 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.420 -12.095 9.762 1.00 0.00 N ATOM 668 NH2 ARG A 38 -5.597 -13.209 11.760 1.00 0.00 N ATOM 0 H ARG A 38 0.647 -13.243 11.997 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.991 -12.280 9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.451 -12.097 12.344 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.165 -10.910 12.446 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.261 -9.730 12.305 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.397 -9.476 10.801 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.740 -9.962 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.736 -11.266 9.719 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.536 -11.957 12.362 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.932 -11.433 9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.263 -12.563 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.246 -13.406 12.697 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.440 -13.675 11.423 1.00 0.00 H new ATOM 682 N ARG A 39 1.823 -10.682 10.551 1.00 0.00 N ATOM 683 CA ARG A 39 2.797 -9.737 10.015 1.00 0.00 C ATOM 684 C ARG A 39 3.218 -10.124 8.600 1.00 0.00 C ATOM 685 O ARG A 39 3.531 -9.263 7.780 1.00 0.00 O ATOM 686 CB ARG A 39 4.032 -9.678 10.917 1.00 0.00 C ATOM 687 CG ARG A 39 3.733 -9.237 12.340 1.00 0.00 C ATOM 688 CD ARG A 39 4.966 -9.334 13.224 1.00 0.00 C ATOM 689 NE ARG A 39 4.693 -8.907 14.594 1.00 0.00 N ATOM 690 CZ ARG A 39 5.413 -9.292 15.644 1.00 0.00 C ATOM 691 NH1 ARG A 39 6.444 -10.111 15.484 1.00 0.00 N ATOM 692 NH2 ARG A 39 5.100 -8.858 16.858 1.00 0.00 N ATOM 0 H ARG A 39 2.086 -11.095 11.446 1.00 0.00 H new ATOM 0 HA ARG A 39 2.324 -8.755 9.981 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.499 -10.663 10.942 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.758 -8.992 10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.368 -8.210 12.335 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.937 -9.856 12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.327 -10.362 13.230 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.762 -8.719 12.804 1.00 0.00 H new ATOM 0 HE ARG A 39 3.906 -8.278 14.754 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.688 -10.448 14.553 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.993 -10.403 16.292 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.307 -8.229 16.986 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.652 -9.153 17.663 1.00 0.00 H new ATOM 706 N TYR A 40 3.216 -11.423 8.320 1.00 0.00 N ATOM 707 CA TYR A 40 3.617 -11.926 7.008 1.00 0.00 C ATOM 708 C TYR A 40 2.548 -11.670 5.948 1.00 0.00 C ATOM 709 O TYR A 40 2.807 -11.007 4.944 1.00 0.00 O ATOM 710 CB TYR A 40 3.917 -13.423 7.086 1.00 0.00 C ATOM 711 CG TYR A 40 4.467 -13.993 5.798 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.749 -13.675 5.369 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.704 -14.846 5.010 1.00 0.00 C ATOM 714 CE1 TYR A 40 6.257 -14.191 4.191 1.00 0.00 C ATOM 715 CE2 TYR A 40 4.205 -15.367 3.832 1.00 0.00 C ATOM 716 CZ TYR A 40 5.480 -15.035 3.427 1.00 0.00 C ATOM 717 OH TYR A 40 5.981 -15.550 2.253 1.00 0.00 O ATOM 0 H TYR A 40 2.941 -12.148 8.983 1.00 0.00 H new ATOM 0 HA TYR A 40 4.517 -11.386 6.713 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.633 -13.601 7.888 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.003 -13.956 7.350 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.360 -13.013 5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.704 -15.106 5.323 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.256 -13.934 3.872 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.601 -16.031 3.232 1.00 0.00 H new ATOM 0 HH TYR A 40 5.308 -16.127 1.836 1.00 0.00 H new ATOM 727 N GLU A 41 1.353 -12.206 6.175 1.00 0.00 N ATOM 728 CA GLU A 41 0.249 -12.053 5.230 1.00 0.00 C ATOM 729 C GLU A 41 -0.009 -10.585 4.900 1.00 0.00 C ATOM 730 O GLU A 41 -0.255 -10.236 3.746 1.00 0.00 O ATOM 731 CB GLU A 41 -1.022 -12.698 5.788 1.00 0.00 C ATOM 732 CG GLU A 41 -1.502 -12.083 7.091 1.00 0.00 C ATOM 733 CD GLU A 41 -2.779 -12.723 7.601 1.00 0.00 C ATOM 734 OE1 GLU A 41 -3.872 -12.249 7.225 1.00 0.00 O ATOM 735 OE2 GLU A 41 -2.686 -13.699 8.375 1.00 0.00 O ATOM 0 H GLU A 41 1.123 -12.751 7.006 1.00 0.00 H new ATOM 0 HA GLU A 41 0.532 -12.559 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.815 -12.617 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.840 -13.761 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.722 -12.185 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.668 -11.016 6.946 1.00 0.00 H new ATOM 742 N VAL A 42 0.049 -9.730 5.914 1.00 0.00 N ATOM 743 CA VAL A 42 -0.188 -8.303 5.722 1.00 0.00 C ATOM 744 C VAL A 42 0.996 -7.633 5.031 1.00 0.00 C ATOM 745 O VAL A 42 0.849 -6.579 4.413 1.00 0.00 O ATOM 746 CB VAL A 42 -0.467 -7.593 7.061 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.580 -8.304 7.815 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.796 -7.519 7.908 1.00 0.00 C ATOM 0 H VAL A 42 0.258 -9.998 6.876 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.068 -8.212 5.086 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.790 -6.574 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.766 -7.791 8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.489 -8.297 7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.284 -9.334 8.014 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.575 -7.014 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.156 -8.527 8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.563 -6.963 7.369 1.00 0.00 H new ATOM 758 N ALA A 43 2.167 -8.253 5.137 1.00 0.00 N ATOM 759 CA ALA A 43 3.376 -7.713 4.525 1.00 0.00 C ATOM 760 C ALA A 43 3.452 -8.086 3.050 1.00 0.00 C ATOM 761 O ALA A 43 4.036 -7.364 2.244 1.00 0.00 O ATOM 762 CB ALA A 43 4.608 -8.218 5.259 1.00 0.00 C ATOM 0 H ALA A 43 2.304 -9.129 5.641 1.00 0.00 H new ATOM 0 HA ALA A 43 3.340 -6.626 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.503 -7.808 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.565 -7.903 6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.640 -9.306 5.210 1.00 0.00 H new ATOM 768 N ARG A 44 2.855 -9.221 2.709 1.00 0.00 N ATOM 769 CA ARG A 44 2.849 -9.704 1.339 1.00 0.00 C ATOM 770 C ARG A 44 1.847 -8.930 0.490 1.00 0.00 C ATOM 771 O ARG A 44 2.034 -8.764 -0.715 1.00 0.00 O ATOM 772 CB ARG A 44 2.509 -11.194 1.320 1.00 0.00 C ATOM 773 CG ARG A 44 3.604 -12.088 1.884 1.00 0.00 C ATOM 774 CD ARG A 44 4.854 -12.070 1.016 1.00 0.00 C ATOM 775 NE ARG A 44 5.666 -10.878 1.242 1.00 0.00 N ATOM 776 CZ ARG A 44 6.948 -10.783 0.903 1.00 0.00 C ATOM 777 NH1 ARG A 44 7.562 -11.805 0.320 1.00 0.00 N ATOM 778 NH2 ARG A 44 7.618 -9.663 1.144 1.00 0.00 N ATOM 0 H ARG A 44 2.366 -9.826 3.369 1.00 0.00 H new ATOM 0 HA ARG A 44 3.842 -9.551 0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.594 -11.354 1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.301 -11.495 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.857 -11.760 2.892 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.233 -13.110 1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.451 -12.958 1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.566 -12.117 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 44 5.225 -10.072 1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.050 -12.667 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.546 -11.729 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.149 -8.874 1.590 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.602 -9.591 0.884 1.00 0.00 H new ATOM 792 N VAL A 45 0.782 -8.455 1.129 1.00 0.00 N ATOM 793 CA VAL A 45 -0.256 -7.703 0.435 1.00 0.00 C ATOM 794 C VAL A 45 0.073 -6.213 0.386 1.00 0.00 C ATOM 795 O VAL A 45 -0.262 -5.526 -0.578 1.00 0.00 O ATOM 796 CB VAL A 45 -1.629 -7.902 1.108 1.00 0.00 C ATOM 797 CG1 VAL A 45 -1.947 -9.383 1.225 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.667 -7.239 2.476 1.00 0.00 C ATOM 0 H VAL A 45 0.616 -8.578 2.128 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.299 -8.086 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.387 -7.429 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.919 -9.510 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.969 -9.830 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.181 -9.873 1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.646 -7.394 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.899 -7.676 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.483 -6.170 2.368 1.00 0.00 H new ATOM 808 N LEU A 46 0.732 -5.722 1.431 1.00 0.00 N ATOM 809 CA LEU A 46 1.107 -4.313 1.508 1.00 0.00 C ATOM 810 C LEU A 46 2.477 -4.073 0.881 1.00 0.00 C ATOM 811 O LEU A 46 2.974 -2.946 0.867 1.00 0.00 O ATOM 812 CB LEU A 46 1.110 -3.841 2.965 1.00 0.00 C ATOM 813 CG LEU A 46 -0.254 -3.815 3.654 1.00 0.00 C ATOM 814 CD1 LEU A 46 -0.112 -3.297 5.077 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.236 -2.958 2.868 1.00 0.00 C ATOM 0 H LEU A 46 1.018 -6.279 2.237 1.00 0.00 H new ATOM 0 HA LEU A 46 0.368 -3.739 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.773 -4.490 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.535 -2.838 3.002 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.645 -4.832 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.090 -3.283 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.558 -3.949 5.637 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.297 -2.287 5.057 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.201 -2.952 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.856 -1.939 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.355 -3.368 1.865 1.00 0.00 H new ATOM 827 N ASN A 47 3.081 -5.139 0.361 1.00 0.00 N ATOM 828 CA ASN A 47 4.396 -5.051 -0.269 1.00 0.00 C ATOM 829 C ASN A 47 5.432 -4.511 0.709 1.00 0.00 C ATOM 830 O ASN A 47 6.381 -3.830 0.315 1.00 0.00 O ATOM 831 CB ASN A 47 4.337 -4.165 -1.516 1.00 0.00 C ATOM 832 CG ASN A 47 3.471 -4.758 -2.609 1.00 0.00 C ATOM 833 OD1 ASN A 47 2.271 -4.490 -2.682 1.00 0.00 O ATOM 834 ND2 ASN A 47 4.077 -5.570 -3.467 1.00 0.00 N ATOM 0 H ASN A 47 2.679 -6.077 0.364 1.00 0.00 H new ATOM 0 HA ASN A 47 4.694 -6.056 -0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.950 -3.184 -1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.346 -4.014 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.546 -6.000 -4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.074 -5.764 -3.369 1.00 0.00 H new ATOM 841 N LEU A 48 5.247 -4.826 1.985 1.00 0.00 N ATOM 842 CA LEU A 48 6.163 -4.377 3.026 1.00 0.00 C ATOM 843 C LEU A 48 6.882 -5.561 3.662 1.00 0.00 C ATOM 844 O LEU A 48 6.647 -6.712 3.293 1.00 0.00 O ATOM 845 CB LEU A 48 5.405 -3.591 4.100 1.00 0.00 C ATOM 846 CG LEU A 48 4.453 -2.513 3.574 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.827 -1.746 4.727 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.181 -1.564 2.632 1.00 0.00 C ATOM 0 H LEU A 48 4.469 -5.392 2.324 1.00 0.00 H new ATOM 0 HA LEU A 48 6.906 -3.726 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.832 -4.294 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.131 -3.119 4.762 1.00 0.00 H new ATOM 0 HG LEU A 48 3.657 -3.004 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.154 -0.984 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.267 -2.434 5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.611 -1.269 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.486 -0.806 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.000 -1.080 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.579 -2.125 1.786 1.00 0.00 H new ATOM 860 N THR A 49 7.761 -5.270 4.616 1.00 0.00 N ATOM 861 CA THR A 49 8.510 -6.311 5.306 1.00 0.00 C ATOM 862 C THR A 49 7.825 -6.689 6.614 1.00 0.00 C ATOM 863 O THR A 49 7.201 -5.849 7.262 1.00 0.00 O ATOM 864 CB THR A 49 9.953 -5.861 5.602 1.00 0.00 C ATOM 865 OG1 THR A 49 10.541 -5.301 4.423 1.00 0.00 O ATOM 866 CG2 THR A 49 10.797 -7.032 6.085 1.00 0.00 C ATOM 0 H THR A 49 7.971 -4.322 4.928 1.00 0.00 H new ATOM 0 HA THR A 49 8.541 -7.179 4.647 1.00 0.00 H new ATOM 0 HB THR A 49 9.921 -5.107 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.458 -5.015 4.619 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.812 -6.690 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.363 -7.441 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.821 -7.805 5.316 1.00 0.00 H new ATOM 874 N GLU A 50 7.944 -7.957 6.997 1.00 0.00 N ATOM 875 CA GLU A 50 7.331 -8.444 8.228 1.00 0.00 C ATOM 876 C GLU A 50 7.804 -7.634 9.429 1.00 0.00 C ATOM 877 O GLU A 50 7.038 -7.375 10.358 1.00 0.00 O ATOM 878 CB GLU A 50 7.660 -9.924 8.442 1.00 0.00 C ATOM 879 CG GLU A 50 7.111 -10.841 7.360 1.00 0.00 C ATOM 880 CD GLU A 50 7.861 -10.718 6.046 1.00 0.00 C ATOM 881 OE1 GLU A 50 8.920 -11.363 5.905 1.00 0.00 O ATOM 882 OE2 GLU A 50 7.386 -9.977 5.160 1.00 0.00 O ATOM 0 H GLU A 50 8.459 -8.665 6.473 1.00 0.00 H new ATOM 0 HA GLU A 50 6.251 -8.328 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.743 -10.042 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.262 -10.238 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.161 -11.873 7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.058 -10.611 7.195 1.00 0.00 H new ATOM 889 N ARG A 51 9.070 -7.234 9.401 1.00 0.00 N ATOM 890 CA ARG A 51 9.651 -6.456 10.488 1.00 0.00 C ATOM 891 C ARG A 51 9.147 -5.019 10.463 1.00 0.00 C ATOM 892 O ARG A 51 8.847 -4.439 11.506 1.00 0.00 O ATOM 893 CB ARG A 51 11.180 -6.477 10.402 1.00 0.00 C ATOM 894 CG ARG A 51 11.802 -7.809 10.795 1.00 0.00 C ATOM 895 CD ARG A 51 11.514 -8.895 9.769 1.00 0.00 C ATOM 896 NE ARG A 51 12.201 -10.143 10.087 1.00 0.00 N ATOM 897 CZ ARG A 51 12.332 -11.152 9.230 1.00 0.00 C ATOM 898 NH1 ARG A 51 11.818 -11.063 8.009 1.00 0.00 N ATOM 899 NH2 ARG A 51 12.976 -12.253 9.593 1.00 0.00 N ATOM 0 H ARG A 51 9.714 -7.436 8.636 1.00 0.00 H new ATOM 0 HA ARG A 51 9.342 -6.911 11.429 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.480 -6.234 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.581 -5.695 11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.880 -7.688 10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.417 -8.117 11.767 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.440 -9.074 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.823 -8.552 8.782 1.00 0.00 H new ATOM 0 HE ARG A 51 12.603 -10.247 11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.321 -10.219 7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.921 -11.839 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.372 -12.327 10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.076 -13.026 8.935 1.00 0.00 H new ATOM 913 N GLN A 52 9.054 -4.449 9.264 1.00 0.00 N ATOM 914 CA GLN A 52 8.585 -3.077 9.104 1.00 0.00 C ATOM 915 C GLN A 52 7.196 -2.896 9.710 1.00 0.00 C ATOM 916 O GLN A 52 6.807 -1.786 10.071 1.00 0.00 O ATOM 917 CB GLN A 52 8.564 -2.692 7.623 1.00 0.00 C ATOM 918 CG GLN A 52 9.946 -2.599 6.992 1.00 0.00 C ATOM 919 CD GLN A 52 10.733 -1.392 7.470 1.00 0.00 C ATOM 920 OE1 GLN A 52 10.570 -0.934 8.600 1.00 0.00 O ATOM 921 NE2 GLN A 52 11.592 -0.868 6.604 1.00 0.00 N ATOM 0 H GLN A 52 9.297 -4.916 8.391 1.00 0.00 H new ATOM 0 HA GLN A 52 9.277 -2.422 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.973 -3.426 7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.060 -1.732 7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.506 -3.506 7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.843 -2.553 5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.696 -1.279 5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.148 -0.054 6.866 1.00 0.00 H new ATOM 930 N VAL A 53 6.451 -3.993 9.818 1.00 0.00 N ATOM 931 CA VAL A 53 5.103 -3.950 10.378 1.00 0.00 C ATOM 932 C VAL A 53 5.127 -3.655 11.876 1.00 0.00 C ATOM 933 O VAL A 53 4.599 -2.637 12.325 1.00 0.00 O ATOM 934 CB VAL A 53 4.354 -5.277 10.139 1.00 0.00 C ATOM 935 CG1 VAL A 53 2.957 -5.222 10.740 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.286 -5.594 8.653 1.00 0.00 C ATOM 0 H VAL A 53 6.757 -4.921 9.526 1.00 0.00 H new ATOM 0 HA VAL A 53 4.578 -3.144 9.866 1.00 0.00 H new ATOM 0 HB VAL A 53 4.907 -6.075 10.634 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.446 -6.168 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.029 -5.047 11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.394 -4.412 10.277 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.754 -6.534 8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.759 -4.793 8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.296 -5.682 8.253 1.00 0.00 H new ATOM 946 N LYS A 54 5.744 -4.548 12.645 1.00 0.00 N ATOM 947 CA LYS A 54 5.823 -4.389 14.095 1.00 0.00 C ATOM 948 C LYS A 54 6.586 -3.126 14.483 1.00 0.00 C ATOM 949 O LYS A 54 6.144 -2.366 15.344 1.00 0.00 O ATOM 950 CB LYS A 54 6.486 -5.615 14.726 1.00 0.00 C ATOM 951 CG LYS A 54 7.819 -5.976 14.103 1.00 0.00 C ATOM 952 CD LYS A 54 8.399 -7.228 14.739 1.00 0.00 C ATOM 953 CE LYS A 54 9.616 -7.713 13.980 1.00 0.00 C ATOM 954 NZ LYS A 54 10.220 -8.921 14.607 1.00 0.00 N ATOM 0 H LYS A 54 6.197 -5.390 12.289 1.00 0.00 H new ATOM 0 HA LYS A 54 4.805 -4.294 14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.631 -5.431 15.791 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.812 -6.467 14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.692 -6.134 13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.516 -5.147 14.223 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.671 -7.021 15.774 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.643 -8.013 14.759 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.335 -7.940 12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.359 -6.916 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.050 -9.220 14.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.512 -8.698 15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.520 -9.690 14.623 1.00 0.00 H new ATOM 968 N ILE A 55 7.732 -2.907 13.846 1.00 0.00 N ATOM 969 CA ILE A 55 8.553 -1.736 14.132 1.00 0.00 C ATOM 970 C ILE A 55 7.755 -0.448 13.956 1.00 0.00 C ATOM 971 O ILE A 55 7.952 0.520 14.689 1.00 0.00 O ATOM 972 CB ILE A 55 9.804 -1.692 13.231 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.668 -2.933 13.469 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.606 -0.423 13.490 1.00 0.00 C ATOM 975 CD1 ILE A 55 11.827 -3.061 12.504 1.00 0.00 C ATOM 0 H ILE A 55 8.113 -3.525 13.129 1.00 0.00 H new ATOM 0 HA ILE A 55 8.872 -1.817 15.171 1.00 0.00 H new ATOM 0 HB ILE A 55 9.484 -1.685 12.189 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.056 -2.905 14.487 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.042 -3.822 13.391 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.485 -0.410 12.845 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.987 0.448 13.277 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.921 -0.398 14.533 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.394 -3.963 12.734 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.447 -3.121 11.484 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.477 -2.191 12.598 1.00 0.00 H new ATOM 987 N TRP A 56 6.850 -0.444 12.983 1.00 0.00 N ATOM 988 CA TRP A 56 6.023 0.727 12.716 1.00 0.00 C ATOM 989 C TRP A 56 5.174 1.073 13.937 1.00 0.00 C ATOM 990 O TRP A 56 5.197 2.206 14.423 1.00 0.00 O ATOM 991 CB TRP A 56 5.124 0.479 11.504 1.00 0.00 C ATOM 992 CG TRP A 56 4.516 1.728 10.943 1.00 0.00 C ATOM 993 CD1 TRP A 56 3.403 2.375 11.397 1.00 0.00 C ATOM 994 CD2 TRP A 56 4.987 2.479 9.818 1.00 0.00 C ATOM 995 NE1 TRP A 56 3.152 3.481 10.622 1.00 0.00 N ATOM 996 CE2 TRP A 56 4.111 3.567 9.647 1.00 0.00 C ATOM 997 CE3 TRP A 56 6.065 2.336 8.938 1.00 0.00 C ATOM 998 CZ2 TRP A 56 4.280 4.507 8.634 1.00 0.00 C ATOM 999 CZ3 TRP A 56 6.230 3.271 7.932 1.00 0.00 C ATOM 1000 CH2 TRP A 56 5.342 4.344 7.787 1.00 0.00 C ATOM 0 H TRP A 56 6.671 -1.237 12.367 1.00 0.00 H new ATOM 0 HA TRP A 56 6.680 1.569 12.499 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.706 -0.013 10.725 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.326 -0.208 11.788 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.807 2.063 12.242 1.00 0.00 H new ATOM 0 HE1 TRP A 56 2.378 4.132 10.751 1.00 0.00 H new ATOM 0 HE3 TRP A 56 6.755 1.512 9.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 3.597 5.336 8.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 7.058 3.172 7.246 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.499 5.057 6.991 1.00 0.00 H new ATOM 1011 N PHE A 57 4.429 0.088 14.431 1.00 0.00 N ATOM 1012 CA PHE A 57 3.582 0.286 15.602 1.00 0.00 C ATOM 1013 C PHE A 57 4.427 0.652 16.815 1.00 0.00 C ATOM 1014 O PHE A 57 3.988 1.400 17.690 1.00 0.00 O ATOM 1015 CB PHE A 57 2.768 -0.975 15.899 1.00 0.00 C ATOM 1016 CG PHE A 57 1.734 -1.289 14.857 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.523 -0.615 14.839 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.971 -2.259 13.897 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.432 -0.903 13.883 1.00 0.00 C ATOM 1020 CE2 PHE A 57 1.021 -2.550 12.937 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.182 -1.872 12.930 1.00 0.00 C ATOM 0 H PHE A 57 4.395 -0.853 14.039 1.00 0.00 H new ATOM 0 HA PHE A 57 2.895 1.105 15.388 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.448 -1.822 15.989 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.274 -0.858 16.864 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.324 0.144 15.581 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.909 -2.794 13.899 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.372 -0.372 13.881 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.219 -3.307 12.193 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.926 -2.099 12.181 1.00 0.00 H new ATOM 1031 N GLN A 58 5.645 0.117 16.861 1.00 0.00 N ATOM 1032 CA GLN A 58 6.560 0.388 17.963 1.00 0.00 C ATOM 1033 C GLN A 58 6.826 1.882 18.099 1.00 0.00 C ATOM 1034 O GLN A 58 6.707 2.444 19.186 1.00 0.00 O ATOM 1035 CB GLN A 58 7.879 -0.356 17.759 1.00 0.00 C ATOM 1036 CG GLN A 58 7.801 -1.839 18.083 1.00 0.00 C ATOM 1037 CD GLN A 58 9.141 -2.537 17.937 1.00 0.00 C ATOM 1038 OE1 GLN A 58 10.195 -1.927 18.115 1.00 0.00 O ATOM 1039 NE2 GLN A 58 9.105 -3.825 17.612 1.00 0.00 N ATOM 0 H GLN A 58 6.020 -0.507 16.146 1.00 0.00 H new ATOM 0 HA GLN A 58 6.090 0.035 18.881 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.197 -0.236 16.723 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.645 0.103 18.383 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.438 -1.966 19.103 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.074 -2.314 17.424 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.208 -4.291 17.474 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.974 -4.347 17.501 1.00 0.00 H new ATOM 1048 N ASN A 59 7.193 2.518 16.989 1.00 0.00 N ATOM 1049 CA ASN A 59 7.474 3.951 16.985 1.00 0.00 C ATOM 1050 C ASN A 59 6.301 4.741 17.557 1.00 0.00 C ATOM 1051 O ASN A 59 6.492 5.664 18.349 1.00 0.00 O ATOM 1052 CB ASN A 59 7.785 4.435 15.566 1.00 0.00 C ATOM 1053 CG ASN A 59 9.172 4.030 15.106 1.00 0.00 C ATOM 1054 OD1 ASN A 59 10.151 4.733 15.358 1.00 0.00 O ATOM 1055 ND2 ASN A 59 9.263 2.898 14.421 1.00 0.00 N ATOM 0 H ASN A 59 7.303 2.064 16.082 1.00 0.00 H new ATOM 0 HA ASN A 59 8.346 4.120 17.616 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.044 4.030 14.877 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.696 5.521 15.528 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.170 2.579 14.081 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.426 2.346 14.235 1.00 0.00 H new ATOM 1062 N ARG A 60 5.088 4.373 17.152 1.00 0.00 N ATOM 1063 CA ARG A 60 3.885 5.050 17.629 1.00 0.00 C ATOM 1064 C ARG A 60 3.718 4.881 19.137 1.00 0.00 C ATOM 1065 O ARG A 60 3.037 5.671 19.789 1.00 0.00 O ATOM 1066 CB ARG A 60 2.647 4.508 16.909 1.00 0.00 C ATOM 1067 CG ARG A 60 2.640 4.784 15.415 1.00 0.00 C ATOM 1068 CD ARG A 60 1.344 4.315 14.771 1.00 0.00 C ATOM 1069 NE ARG A 60 1.268 4.682 13.360 1.00 0.00 N ATOM 1070 CZ ARG A 60 0.133 4.988 12.736 1.00 0.00 C ATOM 1071 NH1 ARG A 60 -1.017 4.969 13.398 1.00 0.00 N ATOM 1072 NH2 ARG A 60 0.148 5.314 11.451 1.00 0.00 N ATOM 0 H ARG A 60 4.912 3.612 16.496 1.00 0.00 H new ATOM 0 HA ARG A 60 3.993 6.112 17.410 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.585 3.432 17.071 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.756 4.949 17.355 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.770 5.852 15.240 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.485 4.279 14.946 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.262 3.232 14.869 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.497 4.748 15.304 1.00 0.00 H new ATOM 0 HE ARG A 60 2.134 4.705 12.822 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.032 4.720 14.387 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.886 5.204 12.918 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.030 5.330 10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.723 5.548 10.974 1.00 0.00 H new ATOM 1086 N ARG A 61 4.327 3.833 19.684 1.00 0.00 N ATOM 1087 CA ARG A 61 4.244 3.558 21.114 1.00 0.00 C ATOM 1088 C ARG A 61 5.285 4.346 21.906 1.00 0.00 C ATOM 1089 O ARG A 61 4.983 4.893 22.964 1.00 0.00 O ATOM 1090 CB ARG A 61 4.410 2.063 21.382 1.00 0.00 C ATOM 1091 CG ARG A 61 4.255 1.692 22.846 1.00 0.00 C ATOM 1092 CD ARG A 61 3.923 0.220 23.017 1.00 0.00 C ATOM 1093 NE ARG A 61 5.011 -0.645 22.573 1.00 0.00 N ATOM 1094 CZ ARG A 61 4.959 -1.974 22.611 1.00 0.00 C ATOM 1095 NH1 ARG A 61 3.874 -2.585 23.069 1.00 0.00 N ATOM 1096 NH2 ARG A 61 5.990 -2.692 22.190 1.00 0.00 N ATOM 0 H ARG A 61 4.884 3.160 19.158 1.00 0.00 H new ATOM 0 HA ARG A 61 3.257 3.877 21.448 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.674 1.512 20.795 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.394 1.747 21.037 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.177 1.922 23.380 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.467 2.298 23.294 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.705 0.018 24.066 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.021 -0.015 22.453 1.00 0.00 H new ATOM 0 HE ARG A 61 5.859 -0.206 22.213 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.078 -2.036 23.393 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.836 -3.604 23.097 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.825 -2.226 21.836 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.948 -3.711 22.220 1.00 0.00 H new ATOM 1110 N MET A 62 6.510 4.404 21.388 1.00 0.00 N ATOM 1111 CA MET A 62 7.595 5.102 22.071 1.00 0.00 C ATOM 1112 C MET A 62 7.593 6.603 21.786 1.00 0.00 C ATOM 1113 O MET A 62 8.293 7.363 22.455 1.00 0.00 O ATOM 1114 CB MET A 62 8.943 4.501 21.669 1.00 0.00 C ATOM 1115 CG MET A 62 9.123 4.367 20.166 1.00 0.00 C ATOM 1116 SD MET A 62 10.755 3.748 19.712 1.00 0.00 S ATOM 1117 CE MET A 62 11.809 5.023 20.400 1.00 0.00 C ATOM 0 H MET A 62 6.775 3.977 20.500 1.00 0.00 H new ATOM 0 HA MET A 62 7.436 4.972 23.141 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.743 5.124 22.069 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.045 3.518 22.128 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.361 3.694 19.772 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.964 5.338 19.697 1.00 0.00 H new ATOM 0 HE1 MET A 62 12.780 4.999 19.904 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.347 5.998 20.247 1.00 0.00 H new ATOM 0 HE3 MET A 62 11.942 4.848 21.468 1.00 0.00 H new ATOM 1127 N LYS A 63 6.811 7.033 20.798 1.00 0.00 N ATOM 1128 CA LYS A 63 6.747 8.451 20.453 1.00 0.00 C ATOM 1129 C LYS A 63 6.262 9.276 21.642 1.00 0.00 C ATOM 1130 O LYS A 63 6.769 10.368 21.902 1.00 0.00 O ATOM 1131 CB LYS A 63 5.831 8.677 19.246 1.00 0.00 C ATOM 1132 CG LYS A 63 4.364 8.395 19.532 1.00 0.00 C ATOM 1133 CD LYS A 63 3.494 8.615 18.303 1.00 0.00 C ATOM 1134 CE LYS A 63 3.190 10.090 18.082 1.00 0.00 C ATOM 1135 NZ LYS A 63 4.390 10.853 17.641 1.00 0.00 N ATOM 0 H LYS A 63 6.219 6.428 20.228 1.00 0.00 H new ATOM 0 HA LYS A 63 7.753 8.777 20.191 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.935 9.709 18.910 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.161 8.040 18.426 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.252 7.367 19.877 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.021 9.041 20.340 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.998 8.212 17.424 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.560 8.064 18.416 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.404 10.189 17.333 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.806 10.522 19.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.110 11.563 16.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.818 11.330 18.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.081 10.200 17.220 1.00 0.00 H new