USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 410 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 40 HIS : no HD1:sc= -0.517 X(o=-0.9,f=-0.68) USER MOD Set 1.2: A 44 GLN : amide:sc= -0.383 X(o=-0.9,f=-0.68) USER MOD Single : A 17 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.0066) USER MOD Single : A 22 SER OG : rot 95:sc= 1.06 USER MOD Single : A 25 THR OG1 : rot 75:sc= 0.537 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : 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= 0.0542 USER MOD Single : A 36 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.3!) USER MOD Single : A 37 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.047) USER MOD Single : A 61 GLN : amide:sc= -0.0424 K(o=-0.042,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 57.330 4.707 7.760 1.00 0.00 N ATOM 253 CA ILE A 15 56.684 3.825 6.742 1.00 0.00 C ATOM 254 C ILE A 15 55.181 3.762 7.010 1.00 0.00 C ATOM 255 O ILE A 15 54.685 2.802 7.573 1.00 0.00 O ATOM 256 CB ILE A 15 57.302 2.416 6.822 1.00 0.00 C ATOM 257 CG1 ILE A 15 58.765 2.477 6.350 1.00 0.00 C ATOM 258 CG2 ILE A 15 56.522 1.424 5.940 1.00 0.00 C ATOM 259 CD1 ILE A 15 58.837 2.904 4.874 1.00 0.00 C ATOM 0 HA ILE A 15 56.849 4.227 5.742 1.00 0.00 H new ATOM 0 HB ILE A 15 57.254 2.072 7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 15 59.323 3.182 6.966 1.00 0.00 H new ATOM 0 HG13 ILE A 15 59.235 1.502 6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 15 56.977 0.436 6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 15 55.487 1.372 6.278 1.00 0.00 H new ATOM 0 HG23 ILE A 15 56.549 1.760 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 15 59.879 2.942 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 15 58.297 2.183 4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 15 58.386 3.890 4.758 1.00 0.00 H new ATOM 271 N GLU A 16 54.452 4.762 6.587 1.00 0.00 N ATOM 272 CA GLU A 16 52.985 4.739 6.792 1.00 0.00 C ATOM 273 C GLU A 16 52.377 3.829 5.732 1.00 0.00 C ATOM 274 O GLU A 16 53.062 3.379 4.833 1.00 0.00 O ATOM 275 CB GLU A 16 52.399 6.155 6.690 1.00 0.00 C ATOM 276 CG GLU A 16 52.892 6.849 5.418 1.00 0.00 C ATOM 277 CD GLU A 16 52.021 8.078 5.110 1.00 0.00 C ATOM 278 OE1 GLU A 16 51.245 8.474 5.968 1.00 0.00 O ATOM 279 OE2 GLU A 16 52.149 8.605 4.017 1.00 0.00 O ATOM 0 H GLU A 16 54.813 5.588 6.111 1.00 0.00 H new ATOM 0 HA GLU A 16 52.753 4.363 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.310 6.105 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 16 52.687 6.738 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 16 53.932 7.153 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.860 6.153 4.580 1.00 0.00 H new ATOM 286 N ASN A 17 51.111 3.544 5.833 1.00 0.00 N ATOM 287 CA ASN A 17 50.467 2.656 4.826 1.00 0.00 C ATOM 288 C ASN A 17 50.386 3.395 3.489 1.00 0.00 C ATOM 289 O ASN A 17 50.371 2.787 2.436 1.00 0.00 O ATOM 290 CB ASN A 17 49.062 2.261 5.301 1.00 0.00 C ATOM 291 CG ASN A 17 49.077 0.813 5.797 1.00 0.00 C ATOM 292 OD1 ASN A 17 48.769 0.546 6.942 1.00 0.00 O ATOM 293 ND2 ASN A 17 49.429 -0.140 4.978 1.00 0.00 N ATOM 0 H ASN A 17 50.493 3.887 6.569 1.00 0.00 H new ATOM 0 HA ASN A 17 51.058 1.749 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 17 48.737 2.927 6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 17 48.347 2.369 4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 17 49.445 -1.108 5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 17 49.688 0.083 4.017 1.00 0.00 H new ATOM 300 N ARG A 18 50.347 4.703 3.527 1.00 0.00 N ATOM 301 CA ARG A 18 50.284 5.492 2.266 1.00 0.00 C ATOM 302 C ARG A 18 51.694 5.639 1.670 1.00 0.00 C ATOM 303 O ARG A 18 51.846 6.116 0.560 1.00 0.00 O ATOM 304 CB ARG A 18 49.705 6.880 2.574 1.00 0.00 C ATOM 305 CG ARG A 18 48.603 7.227 1.570 1.00 0.00 C ATOM 306 CD ARG A 18 47.909 8.519 2.007 1.00 0.00 C ATOM 307 NE ARG A 18 46.581 8.626 1.340 1.00 0.00 N ATOM 308 CZ ARG A 18 45.494 8.334 1.999 1.00 0.00 C ATOM 309 NH1 ARG A 18 44.924 9.237 2.749 1.00 0.00 N ATOM 310 NH2 ARG A 18 44.977 7.140 1.909 1.00 0.00 N ATOM 0 H ARG A 18 50.356 5.258 4.383 1.00 0.00 H new ATOM 0 HA ARG A 18 49.648 4.979 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 18 49.303 6.898 3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 18 50.495 7.630 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 18 49.028 7.348 0.574 1.00 0.00 H new ATOM 0 HG3 ARG A 18 47.879 6.414 1.511 1.00 0.00 H new ATOM 0 HD2 ARG A 18 47.785 8.528 3.090 1.00 0.00 H new ATOM 0 HD3 ARG A 18 48.526 9.380 1.750 1.00 0.00 H new ATOM 0 HE ARG A 18 46.522 8.928 0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 18 45.329 10.171 2.820 1.00 0.00 H new ATOM 0 HH12 ARG A 18 44.074 9.009 3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 18 45.423 6.434 1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 18 44.127 6.912 2.425 1.00 0.00 H new ATOM 324 N VAL A 19 52.723 5.228 2.383 1.00 0.00 N ATOM 325 CA VAL A 19 54.099 5.343 1.826 1.00 0.00 C ATOM 326 C VAL A 19 54.415 4.061 1.074 1.00 0.00 C ATOM 327 O VAL A 19 54.955 4.088 -0.009 1.00 0.00 O ATOM 328 CB VAL A 19 55.136 5.631 2.956 1.00 0.00 C ATOM 329 CG1 VAL A 19 55.888 4.374 3.449 1.00 0.00 C ATOM 330 CG2 VAL A 19 56.165 6.610 2.402 1.00 0.00 C ATOM 0 H VAL A 19 52.662 4.823 3.317 1.00 0.00 H new ATOM 0 HA VAL A 19 54.158 6.185 1.136 1.00 0.00 H new ATOM 0 HB VAL A 19 54.584 6.026 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 19 56.591 4.655 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 19 55.172 3.653 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 19 56.432 3.926 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 19 56.906 6.832 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 19 56.660 6.167 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 19 55.666 7.531 2.102 1.00 0.00 H new ATOM 340 N ARG A 20 54.099 2.940 1.666 1.00 0.00 N ATOM 341 CA ARG A 20 54.384 1.644 0.997 1.00 0.00 C ATOM 342 C ARG A 20 53.555 1.544 -0.276 1.00 0.00 C ATOM 343 O ARG A 20 54.050 1.129 -1.311 1.00 0.00 O ATOM 344 CB ARG A 20 54.044 0.483 1.938 1.00 0.00 C ATOM 345 CG ARG A 20 55.320 -0.002 2.632 1.00 0.00 C ATOM 346 CD ARG A 20 55.055 -1.348 3.309 1.00 0.00 C ATOM 347 NE ARG A 20 54.683 -1.122 4.734 1.00 0.00 N ATOM 348 CZ ARG A 20 55.229 -1.844 5.674 1.00 0.00 C ATOM 349 NH1 ARG A 20 56.529 -1.912 5.773 1.00 0.00 N ATOM 350 NH2 ARG A 20 54.475 -2.498 6.514 1.00 0.00 N ATOM 0 H ARG A 20 53.657 2.869 2.582 1.00 0.00 H new ATOM 0 HA ARG A 20 55.443 1.590 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 20 53.313 0.804 2.680 1.00 0.00 H new ATOM 0 HB3 ARG A 20 53.590 -0.333 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 20 56.126 -0.101 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 20 55.645 0.730 3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 20 54.254 -1.876 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 20 55.942 -1.978 3.249 1.00 0.00 H new ATOM 0 HE ARG A 20 54.001 -0.403 4.975 1.00 0.00 H new ATOM 0 HH11 ARG A 20 57.118 -1.401 5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 20 56.956 -2.476 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 20 53.459 -2.445 6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 20 54.901 -3.063 7.249 1.00 0.00 H new ATOM 364 N TRP A 21 52.309 1.940 -0.227 1.00 0.00 N ATOM 365 CA TRP A 21 51.481 1.869 -1.462 1.00 0.00 C ATOM 366 C TRP A 21 51.732 3.096 -2.345 1.00 0.00 C ATOM 367 O TRP A 21 51.252 3.176 -3.460 1.00 0.00 O ATOM 368 CB TRP A 21 50.016 1.603 -1.095 1.00 0.00 C ATOM 369 CG TRP A 21 50.013 0.349 -0.252 1.00 0.00 C ATOM 370 CD1 TRP A 21 49.272 0.147 0.864 1.00 0.00 C ATOM 371 CD2 TRP A 21 50.829 -0.863 -0.421 1.00 0.00 C ATOM 372 NE1 TRP A 21 49.585 -1.099 1.393 1.00 0.00 N ATOM 373 CE2 TRP A 21 50.541 -1.756 0.636 1.00 0.00 C ATOM 374 CE3 TRP A 21 51.784 -1.270 -1.378 1.00 0.00 C ATOM 375 CZ2 TRP A 21 51.186 -2.999 0.738 1.00 0.00 C ATOM 376 CZ3 TRP A 21 52.424 -2.504 -1.279 1.00 0.00 C ATOM 377 CH2 TRP A 21 52.133 -3.366 -0.220 1.00 0.00 C ATOM 0 H TRP A 21 51.838 2.303 0.601 1.00 0.00 H new ATOM 0 HA TRP A 21 51.776 1.022 -2.081 1.00 0.00 H new ATOM 0 HB2 TRP A 21 49.594 2.443 -0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 21 49.408 1.472 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 21 48.555 0.842 1.276 1.00 0.00 H new ATOM 0 HE1 TRP A 21 49.162 -1.484 2.237 1.00 0.00 H new ATOM 0 HE3 TRP A 21 52.023 -0.613 -2.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 50.951 -3.667 1.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 53.149 -2.795 -2.025 1.00 0.00 H new ATOM 0 HH2 TRP A 21 52.640 -4.316 -0.142 1.00 0.00 H new ATOM 388 N SER A 22 52.606 3.977 -1.906 1.00 0.00 N ATOM 389 CA SER A 22 53.038 5.099 -2.761 1.00 0.00 C ATOM 390 C SER A 22 54.155 4.495 -3.623 1.00 0.00 C ATOM 391 O SER A 22 54.238 4.721 -4.815 1.00 0.00 O ATOM 392 CB SER A 22 53.579 6.250 -1.908 1.00 0.00 C ATOM 393 OG SER A 22 52.578 7.253 -1.784 1.00 0.00 O ATOM 0 H SER A 22 53.034 3.953 -0.980 1.00 0.00 H new ATOM 0 HA SER A 22 52.224 5.515 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 22 53.867 5.884 -0.923 1.00 0.00 H new ATOM 0 HB3 SER A 22 54.475 6.668 -2.367 1.00 0.00 H new ATOM 0 HG SER A 22 52.077 7.114 -0.953 1.00 0.00 H new ATOM 399 N LEU A 23 54.979 3.649 -3.012 1.00 0.00 N ATOM 400 CA LEU A 23 56.057 2.929 -3.761 1.00 0.00 C ATOM 401 C LEU A 23 55.407 2.184 -4.917 1.00 0.00 C ATOM 402 O LEU A 23 55.852 2.235 -6.040 1.00 0.00 O ATOM 403 CB LEU A 23 56.683 1.829 -2.887 1.00 0.00 C ATOM 404 CG LEU A 23 57.374 2.359 -1.641 1.00 0.00 C ATOM 405 CD1 LEU A 23 57.361 1.229 -0.602 1.00 0.00 C ATOM 406 CD2 LEU A 23 58.825 2.724 -1.971 1.00 0.00 C ATOM 0 H LEU A 23 54.940 3.433 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 23 56.804 3.659 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 23 55.904 1.127 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.405 1.271 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 23 56.866 3.247 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 23 57.849 1.569 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 23 56.331 0.950 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 23 57.894 0.364 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.317 3.104 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.351 1.838 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.840 3.490 -2.746 1.00 0.00 H new ATOM 418 N GLU A 24 54.364 1.455 -4.606 1.00 0.00 N ATOM 419 CA GLU A 24 53.657 0.644 -5.641 1.00 0.00 C ATOM 420 C GLU A 24 53.173 1.537 -6.779 1.00 0.00 C ATOM 421 O GLU A 24 53.231 1.161 -7.931 1.00 0.00 O ATOM 422 CB GLU A 24 52.460 -0.060 -5.004 1.00 0.00 C ATOM 423 CG GLU A 24 52.062 -1.266 -5.857 1.00 0.00 C ATOM 424 CD GLU A 24 50.657 -1.725 -5.464 1.00 0.00 C ATOM 425 OE1 GLU A 24 50.547 -2.490 -4.521 1.00 0.00 O ATOM 426 OE2 GLU A 24 49.714 -1.302 -6.113 1.00 0.00 O ATOM 0 H GLU A 24 53.969 1.388 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 24 54.350 -0.094 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 24 52.710 -0.383 -3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 24 51.621 0.631 -4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 24 52.088 -1.002 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 52.775 -2.078 -5.714 1.00 0.00 H new ATOM 433 N THR A 25 52.701 2.716 -6.467 1.00 0.00 N ATOM 434 CA THR A 25 52.221 3.635 -7.540 1.00 0.00 C ATOM 435 C THR A 25 53.399 3.990 -8.450 1.00 0.00 C ATOM 436 O THR A 25 53.239 4.206 -9.636 1.00 0.00 O ATOM 437 CB THR A 25 51.659 4.911 -6.909 1.00 0.00 C ATOM 438 OG1 THR A 25 50.713 4.566 -5.906 1.00 0.00 O ATOM 439 CG2 THR A 25 50.980 5.758 -7.986 1.00 0.00 C ATOM 0 H THR A 25 52.627 3.081 -5.517 1.00 0.00 H new ATOM 0 HA THR A 25 51.437 3.148 -8.121 1.00 0.00 H new ATOM 0 HB THR A 25 52.471 5.483 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 25 51.184 4.239 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 25 50.580 6.667 -7.536 1.00 0.00 H new ATOM 0 HG22 THR A 25 51.708 6.023 -8.753 1.00 0.00 H new ATOM 0 HG23 THR A 25 50.168 5.189 -8.438 1.00 0.00 H new ATOM 447 N MET A 26 54.581 4.055 -7.892 1.00 0.00 N ATOM 448 CA MET A 26 55.787 4.401 -8.705 1.00 0.00 C ATOM 449 C MET A 26 56.393 3.141 -9.350 1.00 0.00 C ATOM 450 O MET A 26 57.175 3.240 -10.278 1.00 0.00 O ATOM 451 CB MET A 26 56.834 5.057 -7.801 1.00 0.00 C ATOM 452 CG MET A 26 56.554 6.557 -7.699 1.00 0.00 C ATOM 453 SD MET A 26 57.455 7.246 -6.289 1.00 0.00 S ATOM 454 CE MET A 26 58.787 8.032 -7.230 1.00 0.00 C ATOM 0 H MET A 26 54.764 3.883 -6.903 1.00 0.00 H new ATOM 0 HA MET A 26 55.487 5.088 -9.496 1.00 0.00 H new ATOM 0 HB2 MET A 26 56.809 4.604 -6.810 1.00 0.00 H new ATOM 0 HB3 MET A 26 57.833 4.890 -8.203 1.00 0.00 H new ATOM 0 HG2 MET A 26 56.858 7.058 -8.618 1.00 0.00 H new ATOM 0 HG3 MET A 26 55.484 6.731 -7.580 1.00 0.00 H new ATOM 0 HE1 MET A 26 59.474 8.527 -6.544 1.00 0.00 H new ATOM 0 HE2 MET A 26 59.326 7.275 -7.799 1.00 0.00 H new ATOM 0 HE3 MET A 26 58.364 8.768 -7.914 1.00 0.00 H new ATOM 464 N PHE A 27 56.053 1.963 -8.875 1.00 0.00 N ATOM 465 CA PHE A 27 56.631 0.717 -9.476 1.00 0.00 C ATOM 466 C PHE A 27 55.741 0.210 -10.614 1.00 0.00 C ATOM 467 O PHE A 27 56.190 -0.528 -11.472 1.00 0.00 O ATOM 468 CB PHE A 27 56.758 -0.386 -8.413 1.00 0.00 C ATOM 469 CG PHE A 27 58.028 -0.179 -7.624 1.00 0.00 C ATOM 470 CD1 PHE A 27 59.272 -0.369 -8.239 1.00 0.00 C ATOM 471 CD2 PHE A 27 57.962 0.194 -6.278 1.00 0.00 C ATOM 472 CE1 PHE A 27 60.450 -0.184 -7.507 1.00 0.00 C ATOM 473 CE2 PHE A 27 59.140 0.380 -5.545 1.00 0.00 C ATOM 474 CZ PHE A 27 60.383 0.190 -6.160 1.00 0.00 C ATOM 0 H PHE A 27 55.405 1.812 -8.102 1.00 0.00 H new ATOM 0 HA PHE A 27 57.619 0.960 -9.866 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.896 -0.365 -7.747 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.769 -1.366 -8.890 1.00 0.00 H new ATOM 0 HD1 PHE A 27 59.322 -0.658 -9.278 1.00 0.00 H new ATOM 0 HD2 PHE A 27 57.002 0.339 -5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 27 61.410 -0.330 -7.981 1.00 0.00 H new ATOM 0 HE2 PHE A 27 59.090 0.670 -4.506 1.00 0.00 H new ATOM 0 HZ PHE A 27 61.292 0.332 -5.594 1.00 0.00 H new ATOM 484 N LEU A 28 54.484 0.583 -10.628 1.00 0.00 N ATOM 485 CA LEU A 28 53.571 0.102 -11.707 1.00 0.00 C ATOM 486 C LEU A 28 53.543 1.086 -12.881 1.00 0.00 C ATOM 487 O LEU A 28 52.540 1.221 -13.558 1.00 0.00 O ATOM 488 CB LEU A 28 52.162 -0.081 -11.140 1.00 0.00 C ATOM 489 CG LEU A 28 52.152 -1.297 -10.206 1.00 0.00 C ATOM 490 CD1 LEU A 28 50.778 -1.425 -9.540 1.00 0.00 C ATOM 491 CD2 LEU A 28 52.466 -2.575 -11.006 1.00 0.00 C ATOM 0 H LEU A 28 54.053 1.199 -9.939 1.00 0.00 H new ATOM 0 HA LEU A 28 53.942 -0.854 -12.077 1.00 0.00 H new ATOM 0 HB2 LEU A 28 51.856 0.813 -10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 28 51.446 -0.223 -11.950 1.00 0.00 H new ATOM 0 HG LEU A 28 52.913 -1.164 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 28 50.774 -2.290 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 28 50.568 -0.524 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 28 50.013 -1.552 -10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 28 52.457 -3.435 -10.336 1.00 0.00 H new ATOM 0 HD22 LEU A 28 51.714 -2.712 -11.783 1.00 0.00 H new ATOM 0 HD23 LEU A 28 53.450 -2.484 -11.466 1.00 0.00 H new ATOM 503 N LYS A 29 54.638 1.751 -13.144 1.00 0.00 N ATOM 504 CA LYS A 29 54.682 2.698 -14.295 1.00 0.00 C ATOM 505 C LYS A 29 55.370 1.986 -15.461 1.00 0.00 C ATOM 506 O LYS A 29 54.927 2.038 -16.592 1.00 0.00 O ATOM 507 CB LYS A 29 55.454 3.976 -13.909 1.00 0.00 C ATOM 508 CG LYS A 29 56.914 3.654 -13.546 1.00 0.00 C ATOM 509 CD LYS A 29 57.453 4.719 -12.587 1.00 0.00 C ATOM 510 CE LYS A 29 57.848 5.975 -13.371 1.00 0.00 C ATOM 511 NZ LYS A 29 57.960 7.143 -12.444 1.00 0.00 N ATOM 0 H LYS A 29 55.504 1.678 -12.610 1.00 0.00 H new ATOM 0 HA LYS A 29 53.673 2.996 -14.580 1.00 0.00 H new ATOM 0 HB2 LYS A 29 55.430 4.683 -14.738 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.964 4.459 -13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 29 56.975 2.669 -13.083 1.00 0.00 H new ATOM 0 HG3 LYS A 29 57.525 3.621 -14.448 1.00 0.00 H new ATOM 0 HD2 LYS A 29 56.696 4.967 -11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 29 58.316 4.331 -12.046 1.00 0.00 H new ATOM 0 HE2 LYS A 29 58.798 5.812 -13.880 1.00 0.00 H new ATOM 0 HE3 LYS A 29 57.105 6.182 -14.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 58.228 7.990 -12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 57.045 7.305 -11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 58.685 6.947 -11.725 1.00 0.00 H new ATOM 525 N CYS A 30 56.436 1.295 -15.167 1.00 0.00 N ATOM 526 CA CYS A 30 57.170 0.533 -16.196 1.00 0.00 C ATOM 527 C CYS A 30 57.674 -0.762 -15.532 1.00 0.00 C ATOM 528 O CYS A 30 58.011 -0.742 -14.364 1.00 0.00 O ATOM 529 CB CYS A 30 58.359 1.360 -16.703 1.00 0.00 C ATOM 530 SG CYS A 30 57.969 2.070 -18.323 1.00 0.00 S ATOM 0 H CYS A 30 56.833 1.230 -14.230 1.00 0.00 H new ATOM 0 HA CYS A 30 56.526 0.305 -17.045 1.00 0.00 H new ATOM 0 HB2 CYS A 30 58.589 2.155 -15.994 1.00 0.00 H new ATOM 0 HB3 CYS A 30 59.246 0.731 -16.776 1.00 0.00 H new ATOM 0 HG CYS A 30 58.980 2.771 -18.744 1.00 0.00 H new ATOM 536 N PRO A 31 57.740 -1.848 -16.274 1.00 0.00 N ATOM 537 CA PRO A 31 58.230 -3.128 -15.737 1.00 0.00 C ATOM 538 C PRO A 31 59.758 -3.184 -15.851 1.00 0.00 C ATOM 539 O PRO A 31 60.349 -4.243 -15.742 1.00 0.00 O ATOM 540 CB PRO A 31 57.627 -4.165 -16.681 1.00 0.00 C ATOM 541 CG PRO A 31 57.359 -3.424 -18.012 1.00 0.00 C ATOM 542 CD PRO A 31 57.337 -1.918 -17.687 1.00 0.00 C ATOM 0 HA PRO A 31 57.964 -3.280 -14.691 1.00 0.00 H new ATOM 0 HB2 PRO A 31 58.310 -5.001 -16.830 1.00 0.00 H new ATOM 0 HB3 PRO A 31 56.705 -4.577 -16.271 1.00 0.00 H new ATOM 0 HG2 PRO A 31 58.135 -3.650 -18.743 1.00 0.00 H new ATOM 0 HG3 PRO A 31 56.410 -3.740 -18.446 1.00 0.00 H new ATOM 0 HD2 PRO A 31 58.024 -1.363 -18.325 1.00 0.00 H new ATOM 0 HD3 PRO A 31 56.345 -1.492 -17.840 1.00 0.00 H new ATOM 550 N LYS A 32 60.403 -2.063 -16.105 1.00 0.00 N ATOM 551 CA LYS A 32 61.873 -2.075 -16.264 1.00 0.00 C ATOM 552 C LYS A 32 62.535 -0.996 -15.373 1.00 0.00 C ATOM 553 O LYS A 32 63.237 -0.142 -15.880 1.00 0.00 O ATOM 554 CB LYS A 32 62.212 -1.809 -17.737 1.00 0.00 C ATOM 555 CG LYS A 32 61.549 -0.505 -18.206 1.00 0.00 C ATOM 556 CD LYS A 32 61.604 -0.434 -19.733 1.00 0.00 C ATOM 557 CE LYS A 32 63.048 -0.214 -20.186 1.00 0.00 C ATOM 558 NZ LYS A 32 63.299 1.247 -20.336 1.00 0.00 N ATOM 0 H LYS A 32 59.963 -1.148 -16.206 1.00 0.00 H new ATOM 0 HA LYS A 32 62.256 -3.048 -15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 32 63.293 -1.742 -17.863 1.00 0.00 H new ATOM 0 HB3 LYS A 32 61.870 -2.641 -18.353 1.00 0.00 H new ATOM 0 HG2 LYS A 32 60.514 -0.466 -17.865 1.00 0.00 H new ATOM 0 HG3 LYS A 32 62.060 0.354 -17.771 1.00 0.00 H new ATOM 0 HD2 LYS A 32 61.214 -1.356 -20.164 1.00 0.00 H new ATOM 0 HD3 LYS A 32 60.972 0.378 -20.092 1.00 0.00 H new ATOM 0 HE2 LYS A 32 63.739 -0.641 -19.459 1.00 0.00 H new ATOM 0 HE3 LYS A 32 63.226 -0.725 -21.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 64.280 1.401 -20.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 62.648 1.640 -21.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 63.144 1.721 -19.423 1.00 0.00 H new ATOM 572 N PRO A 33 62.324 -1.052 -14.067 1.00 0.00 N ATOM 573 CA PRO A 33 62.934 -0.071 -13.152 1.00 0.00 C ATOM 574 C PRO A 33 64.411 -0.419 -12.943 1.00 0.00 C ATOM 575 O PRO A 33 64.793 -1.573 -12.970 1.00 0.00 O ATOM 576 CB PRO A 33 62.134 -0.223 -11.856 1.00 0.00 C ATOM 577 CG PRO A 33 61.500 -1.630 -11.898 1.00 0.00 C ATOM 578 CD PRO A 33 61.482 -2.064 -13.381 1.00 0.00 C ATOM 0 HA PRO A 33 62.905 0.953 -13.526 1.00 0.00 H new ATOM 0 HB2 PRO A 33 62.781 -0.114 -10.985 1.00 0.00 H new ATOM 0 HB3 PRO A 33 61.366 0.547 -11.781 1.00 0.00 H new ATOM 0 HG2 PRO A 33 62.076 -2.332 -11.296 1.00 0.00 H new ATOM 0 HG3 PRO A 33 60.490 -1.612 -11.488 1.00 0.00 H new ATOM 0 HD2 PRO A 33 61.885 -3.069 -13.507 1.00 0.00 H new ATOM 0 HD3 PRO A 33 60.468 -2.075 -13.780 1.00 0.00 H new ATOM 586 N SER A 34 65.242 0.573 -12.759 1.00 0.00 N ATOM 587 CA SER A 34 66.697 0.317 -12.575 1.00 0.00 C ATOM 588 C SER A 34 67.029 0.144 -11.101 1.00 0.00 C ATOM 589 O SER A 34 66.396 0.723 -10.239 1.00 0.00 O ATOM 590 CB SER A 34 67.490 1.498 -13.138 1.00 0.00 C ATOM 591 OG SER A 34 66.918 2.713 -12.670 1.00 0.00 O ATOM 0 H SER A 34 64.971 1.556 -12.728 1.00 0.00 H new ATOM 0 HA SER A 34 66.963 -0.599 -13.102 1.00 0.00 H new ATOM 0 HB2 SER A 34 68.533 1.431 -12.829 1.00 0.00 H new ATOM 0 HB3 SER A 34 67.478 1.473 -14.228 1.00 0.00 H new ATOM 0 HG SER A 34 67.425 3.472 -13.027 1.00 0.00 H new ATOM 597 N LEU A 35 68.054 -0.621 -10.807 1.00 0.00 N ATOM 598 CA LEU A 35 68.478 -0.789 -9.386 1.00 0.00 C ATOM 599 C LEU A 35 68.871 0.589 -8.849 1.00 0.00 C ATOM 600 O LEU A 35 68.801 0.855 -7.662 1.00 0.00 O ATOM 601 CB LEU A 35 69.684 -1.725 -9.319 1.00 0.00 C ATOM 602 CG LEU A 35 69.203 -3.173 -9.440 1.00 0.00 C ATOM 603 CD1 LEU A 35 70.132 -3.949 -10.378 1.00 0.00 C ATOM 604 CD2 LEU A 35 69.212 -3.832 -8.058 1.00 0.00 C ATOM 0 H LEU A 35 68.612 -1.134 -11.490 1.00 0.00 H new ATOM 0 HA LEU A 35 67.668 -1.215 -8.794 1.00 0.00 H new ATOM 0 HB2 LEU A 35 70.384 -1.493 -10.121 1.00 0.00 H new ATOM 0 HB3 LEU A 35 70.218 -1.584 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 35 68.190 -3.183 -9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.787 -4.979 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.126 -3.483 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 35 71.146 -3.938 -9.977 1.00 0.00 H new ATOM 0 HD21 LEU A 35 68.869 -4.863 -8.144 1.00 0.00 H new ATOM 0 HD22 LEU A 35 70.225 -3.819 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 35 68.548 -3.284 -7.389 1.00 0.00 H new ATOM 616 N GLN A 36 69.242 1.480 -9.741 1.00 0.00 N ATOM 617 CA GLN A 36 69.596 2.861 -9.319 1.00 0.00 C ATOM 618 C GLN A 36 68.304 3.521 -8.857 1.00 0.00 C ATOM 619 O GLN A 36 68.266 4.212 -7.859 1.00 0.00 O ATOM 620 CB GLN A 36 70.190 3.627 -10.508 1.00 0.00 C ATOM 621 CG GLN A 36 70.536 5.061 -10.087 1.00 0.00 C ATOM 622 CD GLN A 36 70.627 5.961 -11.326 1.00 0.00 C ATOM 623 OE1 GLN A 36 70.331 5.539 -12.428 1.00 0.00 O ATOM 624 NE2 GLN A 36 71.026 7.196 -11.190 1.00 0.00 N ATOM 0 H GLN A 36 69.313 1.303 -10.743 1.00 0.00 H new ATOM 0 HA GLN A 36 70.337 2.857 -8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 36 71.085 3.119 -10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 36 69.478 3.643 -11.333 1.00 0.00 H new ATOM 0 HG2 GLN A 36 69.776 5.442 -9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 36 71.483 5.073 -9.548 1.00 0.00 H new ATOM 0 HE21 GLN A 36 71.275 7.553 -10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 36 71.089 7.804 -12.006 1.00 0.00 H new ATOM 633 N GLN A 37 67.235 3.278 -9.574 1.00 0.00 N ATOM 634 CA GLN A 37 65.921 3.849 -9.181 1.00 0.00 C ATOM 635 C GLN A 37 65.511 3.252 -7.834 1.00 0.00 C ATOM 636 O GLN A 37 64.803 3.880 -7.075 1.00 0.00 O ATOM 637 CB GLN A 37 64.859 3.517 -10.234 1.00 0.00 C ATOM 638 CG GLN A 37 63.534 4.210 -9.869 1.00 0.00 C ATOM 639 CD GLN A 37 63.218 5.308 -10.890 1.00 0.00 C ATOM 640 OE1 GLN A 37 62.109 5.398 -11.379 1.00 0.00 O ATOM 641 NE2 GLN A 37 64.152 6.152 -11.234 1.00 0.00 N ATOM 0 H GLN A 37 67.221 2.705 -10.418 1.00 0.00 H new ATOM 0 HA GLN A 37 66.005 4.933 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.193 3.845 -11.218 1.00 0.00 H new ATOM 0 HB3 GLN A 37 64.713 2.438 -10.290 1.00 0.00 H new ATOM 0 HG2 GLN A 37 62.726 3.479 -9.847 1.00 0.00 H new ATOM 0 HG3 GLN A 37 63.602 4.640 -8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 37 65.083 6.077 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 37 63.951 6.886 -11.913 1.00 0.00 H new ATOM 650 N ILE A 38 65.967 2.052 -7.518 1.00 0.00 N ATOM 651 CA ILE A 38 65.612 1.453 -6.195 1.00 0.00 C ATOM 652 C ILE A 38 66.362 2.240 -5.122 1.00 0.00 C ATOM 653 O ILE A 38 65.865 2.442 -4.036 1.00 0.00 O ATOM 654 CB ILE A 38 65.964 -0.057 -6.151 1.00 0.00 C ATOM 655 CG1 ILE A 38 64.896 -0.843 -6.933 1.00 0.00 C ATOM 656 CG2 ILE A 38 65.997 -0.579 -4.695 1.00 0.00 C ATOM 657 CD1 ILE A 38 63.503 -0.606 -6.320 1.00 0.00 C ATOM 0 H ILE A 38 66.560 1.475 -8.114 1.00 0.00 H new ATOM 0 HA ILE A 38 64.538 1.518 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 38 66.950 -0.195 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 38 64.899 -0.533 -7.978 1.00 0.00 H new ATOM 0 HG13 ILE A 38 65.132 -1.907 -6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 38 66.246 -1.640 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 38 66.749 -0.029 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 38 65.019 -0.436 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 38 62.757 -1.168 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 38 63.501 -0.939 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 38 63.264 0.457 -6.361 1.00 0.00 H new ATOM 669 N THR A 39 67.541 2.714 -5.437 1.00 0.00 N ATOM 670 CA THR A 39 68.307 3.536 -4.450 1.00 0.00 C ATOM 671 C THR A 39 67.512 4.824 -4.219 1.00 0.00 C ATOM 672 O THR A 39 67.393 5.315 -3.112 1.00 0.00 O ATOM 673 CB THR A 39 69.690 3.876 -5.014 1.00 0.00 C ATOM 674 OG1 THR A 39 70.376 2.676 -5.341 1.00 0.00 O ATOM 675 CG2 THR A 39 70.493 4.656 -3.971 1.00 0.00 C ATOM 0 H THR A 39 68.006 2.568 -6.333 1.00 0.00 H new ATOM 0 HA THR A 39 68.444 2.990 -3.517 1.00 0.00 H new ATOM 0 HB THR A 39 69.575 4.485 -5.911 1.00 0.00 H new ATOM 0 HG1 THR A 39 71.260 2.893 -5.704 1.00 0.00 H new ATOM 0 HG21 THR A 39 71.477 4.897 -4.375 1.00 0.00 H new ATOM 0 HG22 THR A 39 69.967 5.578 -3.722 1.00 0.00 H new ATOM 0 HG23 THR A 39 70.608 4.050 -3.072 1.00 0.00 H new ATOM 683 N HIS A 40 66.936 5.340 -5.272 1.00 0.00 N ATOM 684 CA HIS A 40 66.098 6.568 -5.167 1.00 0.00 C ATOM 685 C HIS A 40 64.780 6.209 -4.469 1.00 0.00 C ATOM 686 O HIS A 40 64.131 7.055 -3.887 1.00 0.00 O ATOM 687 CB HIS A 40 65.823 7.098 -6.582 1.00 0.00 C ATOM 688 CG HIS A 40 64.965 8.336 -6.526 1.00 0.00 C ATOM 689 ND1 HIS A 40 65.147 9.324 -5.572 1.00 0.00 N ATOM 690 CD2 HIS A 40 63.916 8.756 -7.306 1.00 0.00 C ATOM 691 CE1 HIS A 40 64.228 10.282 -5.800 1.00 0.00 C ATOM 692 NE2 HIS A 40 63.452 9.985 -6.846 1.00 0.00 N ATOM 0 H HIS A 40 67.013 4.956 -6.214 1.00 0.00 H new ATOM 0 HA HIS A 40 66.611 7.336 -4.588 1.00 0.00 H new ATOM 0 HB2 HIS A 40 66.765 7.324 -7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 40 65.325 6.330 -7.174 1.00 0.00 H new ATOM 0 HD2 HIS A 40 63.512 8.215 -8.149 1.00 0.00 H new ATOM 0 HE1 HIS A 40 64.130 11.181 -5.209 1.00 0.00 H new ATOM 0 HE2 HIS A 40 62.685 10.539 -7.226 1.00 0.00 H new ATOM 700 N ILE A 41 64.394 4.955 -4.505 1.00 0.00 N ATOM 701 CA ILE A 41 63.139 4.537 -3.830 1.00 0.00 C ATOM 702 C ILE A 41 63.385 4.628 -2.316 1.00 0.00 C ATOM 703 O ILE A 41 62.573 5.133 -1.584 1.00 0.00 O ATOM 704 CB ILE A 41 62.776 3.091 -4.293 1.00 0.00 C ATOM 705 CG1 ILE A 41 61.589 3.140 -5.278 1.00 0.00 C ATOM 706 CG2 ILE A 41 62.397 2.169 -3.119 1.00 0.00 C ATOM 707 CD1 ILE A 41 62.090 2.970 -6.719 1.00 0.00 C ATOM 0 H ILE A 41 64.901 4.206 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 41 62.295 5.177 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 41 63.666 2.682 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 41 60.875 2.352 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 41 61.062 4.089 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 41 62.154 1.177 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 41 63.236 2.097 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 41 61.532 2.580 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 41 61.244 3.006 -7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 41 62.787 3.773 -6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 41 62.596 2.010 -6.817 1.00 0.00 H new ATOM 719 N ALA A 42 64.514 4.144 -1.858 1.00 0.00 N ATOM 720 CA ALA A 42 64.831 4.187 -0.400 1.00 0.00 C ATOM 721 C ALA A 42 64.859 5.631 0.072 1.00 0.00 C ATOM 722 O ALA A 42 64.161 6.002 0.996 1.00 0.00 O ATOM 723 CB ALA A 42 66.186 3.523 -0.150 1.00 0.00 C ATOM 0 H ALA A 42 65.235 3.717 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 42 64.065 3.647 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 42 66.416 3.555 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 42 66.150 2.485 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 42 66.959 4.054 -0.704 1.00 0.00 H new ATOM 729 N ASN A 43 65.628 6.458 -0.580 1.00 0.00 N ATOM 730 CA ASN A 43 65.658 7.896 -0.200 1.00 0.00 C ATOM 731 C ASN A 43 64.262 8.495 -0.438 1.00 0.00 C ATOM 732 O ASN A 43 63.925 9.538 0.089 1.00 0.00 O ATOM 733 CB ASN A 43 66.686 8.633 -1.058 1.00 0.00 C ATOM 734 CG ASN A 43 68.074 8.463 -0.443 1.00 0.00 C ATOM 735 OD1 ASN A 43 68.333 8.945 0.642 1.00 0.00 O ATOM 736 ND2 ASN A 43 68.982 7.789 -1.091 1.00 0.00 N ATOM 0 H ASN A 43 66.235 6.200 -1.358 1.00 0.00 H new ATOM 0 HA ASN A 43 65.934 7.998 0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 43 66.676 8.241 -2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 43 66.431 9.691 -1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 43 69.911 7.666 -0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 43 68.764 7.385 -2.002 1.00 0.00 H new ATOM 743 N GLN A 44 63.449 7.834 -1.239 1.00 0.00 N ATOM 744 CA GLN A 44 62.083 8.348 -1.526 1.00 0.00 C ATOM 745 C GLN A 44 61.144 8.094 -0.332 1.00 0.00 C ATOM 746 O GLN A 44 60.222 8.856 -0.107 1.00 0.00 O ATOM 747 CB GLN A 44 61.545 7.663 -2.789 1.00 0.00 C ATOM 748 CG GLN A 44 61.729 8.574 -4.013 1.00 0.00 C ATOM 749 CD GLN A 44 60.923 9.862 -3.830 1.00 0.00 C ATOM 750 OE1 GLN A 44 61.482 10.941 -3.782 1.00 0.00 O ATOM 751 NE2 GLN A 44 59.624 9.796 -3.731 1.00 0.00 N ATOM 0 H GLN A 44 63.684 6.957 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 44 62.130 9.425 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 44 62.067 6.719 -2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 44 60.489 7.426 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 44 62.785 8.811 -4.145 1.00 0.00 H new ATOM 0 HG3 GLN A 44 61.403 8.056 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 44 59.155 8.891 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 44 59.077 10.649 -3.613 1.00 0.00 H new ATOM 760 N LEU A 45 61.363 7.046 0.440 1.00 0.00 N ATOM 761 CA LEU A 45 60.459 6.791 1.617 1.00 0.00 C ATOM 762 C LEU A 45 61.264 6.616 2.927 1.00 0.00 C ATOM 763 O LEU A 45 60.747 6.141 3.919 1.00 0.00 O ATOM 764 CB LEU A 45 59.542 5.577 1.335 1.00 0.00 C ATOM 765 CG LEU A 45 60.268 4.244 1.510 1.00 0.00 C ATOM 766 CD1 LEU A 45 59.233 3.120 1.632 1.00 0.00 C ATOM 767 CD2 LEU A 45 61.144 3.999 0.292 1.00 0.00 C ATOM 0 H LEU A 45 62.114 6.368 0.309 1.00 0.00 H new ATOM 0 HA LEU A 45 59.825 7.666 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 45 58.683 5.610 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 45 59.155 5.646 0.318 1.00 0.00 H new ATOM 0 HG LEU A 45 60.885 4.268 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 45 59.745 2.166 1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 45 58.595 3.305 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 58.622 3.088 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 45 61.668 3.050 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 45 60.522 3.966 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 45 61.871 4.806 0.199 1.00 0.00 H new ATOM 779 N GLY A 46 62.505 7.035 2.944 1.00 0.00 N ATOM 780 CA GLY A 46 63.339 6.947 4.188 1.00 0.00 C ATOM 781 C GLY A 46 63.322 5.545 4.823 1.00 0.00 C ATOM 782 O GLY A 46 63.511 5.412 6.018 1.00 0.00 O ATOM 0 H GLY A 46 62.984 7.440 2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 46 64.367 7.220 3.950 1.00 0.00 H new ATOM 0 HA3 GLY A 46 62.976 7.674 4.915 1.00 0.00 H new ATOM 786 N LEU A 47 63.127 4.503 4.053 1.00 0.00 N ATOM 787 CA LEU A 47 63.139 3.123 4.654 1.00 0.00 C ATOM 788 C LEU A 47 64.507 2.472 4.402 1.00 0.00 C ATOM 789 O LEU A 47 65.360 3.029 3.737 1.00 0.00 O ATOM 790 CB LEU A 47 61.985 2.246 4.075 1.00 0.00 C ATOM 791 CG LEU A 47 62.436 1.363 2.892 1.00 0.00 C ATOM 792 CD1 LEU A 47 61.235 0.608 2.315 1.00 0.00 C ATOM 793 CD2 LEU A 47 63.066 2.222 1.801 1.00 0.00 C ATOM 0 H LEU A 47 62.962 4.541 3.047 1.00 0.00 H new ATOM 0 HA LEU A 47 62.974 3.202 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 47 61.588 1.610 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 47 61.172 2.894 3.748 1.00 0.00 H new ATOM 0 HG LEU A 47 63.174 0.648 3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 47 61.562 -0.013 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 47 60.797 -0.024 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 47 60.490 1.323 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 47 63.379 1.586 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 47 62.337 2.949 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 47 63.933 2.745 2.205 1.00 0.00 H new ATOM 805 N GLU A 48 64.697 1.283 4.908 1.00 0.00 N ATOM 806 CA GLU A 48 65.978 0.566 4.683 1.00 0.00 C ATOM 807 C GLU A 48 65.838 -0.277 3.418 1.00 0.00 C ATOM 808 O GLU A 48 64.780 -0.795 3.122 1.00 0.00 O ATOM 809 CB GLU A 48 66.276 -0.348 5.872 1.00 0.00 C ATOM 810 CG GLU A 48 67.779 -0.625 5.939 1.00 0.00 C ATOM 811 CD GLU A 48 68.055 -1.695 6.996 1.00 0.00 C ATOM 812 OE1 GLU A 48 68.152 -1.339 8.159 1.00 0.00 O ATOM 813 OE2 GLU A 48 68.165 -2.853 6.625 1.00 0.00 O ATOM 0 H GLU A 48 64.013 0.777 5.471 1.00 0.00 H new ATOM 0 HA GLU A 48 66.793 1.282 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 48 65.940 0.120 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 48 65.727 -1.284 5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.142 -0.958 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 48 68.318 0.290 6.184 1.00 0.00 H new ATOM 820 N LYS A 49 66.897 -0.429 2.674 1.00 0.00 N ATOM 821 CA LYS A 49 66.831 -1.247 1.424 1.00 0.00 C ATOM 822 C LYS A 49 66.354 -2.670 1.746 1.00 0.00 C ATOM 823 O LYS A 49 65.901 -3.385 0.874 1.00 0.00 O ATOM 824 CB LYS A 49 68.216 -1.315 0.778 1.00 0.00 C ATOM 825 CG LYS A 49 68.073 -1.616 -0.721 1.00 0.00 C ATOM 826 CD LYS A 49 69.127 -2.647 -1.148 1.00 0.00 C ATOM 827 CE LYS A 49 68.504 -3.651 -2.121 1.00 0.00 C ATOM 828 NZ LYS A 49 69.511 -4.038 -3.149 1.00 0.00 N ATOM 0 H LYS A 49 67.810 -0.022 2.876 1.00 0.00 H new ATOM 0 HA LYS A 49 66.127 -0.779 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 49 68.741 -0.371 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 49 68.815 -2.089 1.259 1.00 0.00 H new ATOM 0 HG2 LYS A 49 67.073 -1.996 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 49 68.193 -0.699 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 49 69.971 -2.144 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 49 69.516 -3.168 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 49 68.163 -4.534 -1.580 1.00 0.00 H new ATOM 0 HE3 LYS A 49 67.629 -3.213 -2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 69.088 -4.720 -3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 69.816 -3.192 -3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 70.333 -4.472 -2.683 1.00 0.00 H new ATOM 842 N ASP A 50 66.461 -3.088 2.985 1.00 0.00 N ATOM 843 CA ASP A 50 66.024 -4.462 3.359 1.00 0.00 C ATOM 844 C ASP A 50 64.494 -4.557 3.337 1.00 0.00 C ATOM 845 O ASP A 50 63.943 -5.557 2.908 1.00 0.00 O ATOM 846 CB ASP A 50 66.540 -4.791 4.763 1.00 0.00 C ATOM 847 CG ASP A 50 66.546 -6.307 4.970 1.00 0.00 C ATOM 848 OD1 ASP A 50 65.495 -6.847 5.274 1.00 0.00 O ATOM 849 OD2 ASP A 50 67.600 -6.903 4.824 1.00 0.00 O ATOM 0 H ASP A 50 66.834 -2.531 3.753 1.00 0.00 H new ATOM 0 HA ASP A 50 66.430 -5.174 2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 50 67.546 -4.393 4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 50 65.909 -4.315 5.513 1.00 0.00 H new ATOM 854 N VAL A 51 63.797 -3.532 3.779 1.00 0.00 N ATOM 855 CA VAL A 51 62.306 -3.597 3.759 1.00 0.00 C ATOM 856 C VAL A 51 61.809 -3.225 2.355 1.00 0.00 C ATOM 857 O VAL A 51 60.716 -3.586 1.965 1.00 0.00 O ATOM 858 CB VAL A 51 61.724 -2.641 4.812 1.00 0.00 C ATOM 859 CG1 VAL A 51 62.152 -1.202 4.506 1.00 0.00 C ATOM 860 CG2 VAL A 51 60.193 -2.740 4.802 1.00 0.00 C ATOM 0 H VAL A 51 64.194 -2.667 4.147 1.00 0.00 H new ATOM 0 HA VAL A 51 61.976 -4.608 3.999 1.00 0.00 H new ATOM 0 HB VAL A 51 62.099 -2.920 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 51 61.735 -0.531 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 51 63.240 -1.135 4.523 1.00 0.00 H new ATOM 0 HG13 VAL A 51 61.786 -0.915 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 51 59.780 -2.062 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 51 59.817 -2.467 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 51 59.893 -3.762 5.034 1.00 0.00 H new ATOM 870 N VAL A 52 62.611 -2.515 1.591 1.00 0.00 N ATOM 871 CA VAL A 52 62.194 -2.136 0.213 1.00 0.00 C ATOM 872 C VAL A 52 62.394 -3.349 -0.719 1.00 0.00 C ATOM 873 O VAL A 52 61.717 -3.491 -1.719 1.00 0.00 O ATOM 874 CB VAL A 52 63.010 -0.895 -0.252 1.00 0.00 C ATOM 875 CG1 VAL A 52 64.259 -1.280 -1.067 1.00 0.00 C ATOM 876 CG2 VAL A 52 62.103 0.006 -1.097 1.00 0.00 C ATOM 0 H VAL A 52 63.535 -2.185 1.869 1.00 0.00 H new ATOM 0 HA VAL A 52 61.140 -1.861 0.187 1.00 0.00 H new ATOM 0 HB VAL A 52 63.358 -0.372 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 52 64.791 -0.377 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 52 64.914 -1.902 -0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 52 63.957 -1.834 -1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 52 62.665 0.879 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 52 61.747 -0.548 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 52 61.251 0.328 -0.499 1.00 0.00 H new ATOM 886 N ARG A 53 63.321 -4.218 -0.386 1.00 0.00 N ATOM 887 CA ARG A 53 63.572 -5.418 -1.233 1.00 0.00 C ATOM 888 C ARG A 53 62.499 -6.466 -0.942 1.00 0.00 C ATOM 889 O ARG A 53 61.932 -7.055 -1.843 1.00 0.00 O ATOM 890 CB ARG A 53 64.952 -5.994 -0.901 1.00 0.00 C ATOM 891 CG ARG A 53 65.342 -7.042 -1.951 1.00 0.00 C ATOM 892 CD ARG A 53 65.058 -8.446 -1.410 1.00 0.00 C ATOM 893 NE ARG A 53 66.142 -8.844 -0.470 1.00 0.00 N ATOM 894 CZ ARG A 53 65.929 -8.829 0.817 1.00 0.00 C ATOM 895 NH1 ARG A 53 65.210 -9.766 1.371 1.00 0.00 N ATOM 896 NH2 ARG A 53 66.434 -7.875 1.552 1.00 0.00 N ATOM 0 H ARG A 53 63.914 -4.143 0.440 1.00 0.00 H new ATOM 0 HA ARG A 53 63.539 -5.141 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 53 65.694 -5.196 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 53 64.939 -6.446 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 53 64.781 -6.876 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 53 66.399 -6.945 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 53 64.095 -8.463 -0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 53 64.995 -9.159 -2.232 1.00 0.00 H new ATOM 0 HE ARG A 53 67.052 -9.129 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 53 64.814 -10.511 0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 53 65.044 -9.754 2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.995 -7.141 1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 53 66.267 -7.864 2.558 1.00 0.00 H new ATOM 910 N VAL A 54 62.213 -6.693 0.315 1.00 0.00 N ATOM 911 CA VAL A 54 61.169 -7.695 0.683 1.00 0.00 C ATOM 912 C VAL A 54 59.783 -7.136 0.341 1.00 0.00 C ATOM 913 O VAL A 54 58.854 -7.880 0.088 1.00 0.00 O ATOM 914 CB VAL A 54 61.255 -7.983 2.184 1.00 0.00 C ATOM 915 CG1 VAL A 54 60.265 -9.089 2.556 1.00 0.00 C ATOM 916 CG2 VAL A 54 62.676 -8.434 2.533 1.00 0.00 C ATOM 0 H VAL A 54 62.659 -6.226 1.104 1.00 0.00 H new ATOM 0 HA VAL A 54 61.331 -8.618 0.126 1.00 0.00 H new ATOM 0 HB VAL A 54 61.010 -7.078 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 54 60.330 -9.291 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 54 59.253 -8.770 2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 54 60.506 -9.995 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 54 62.740 -8.640 3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 54 62.918 -9.338 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 54 63.382 -7.646 2.272 1.00 0.00 H new ATOM 926 N TRP A 55 59.640 -5.833 0.330 1.00 0.00 N ATOM 927 CA TRP A 55 58.318 -5.220 0.002 1.00 0.00 C ATOM 928 C TRP A 55 58.103 -5.263 -1.519 1.00 0.00 C ATOM 929 O TRP A 55 56.993 -5.463 -1.978 1.00 0.00 O ATOM 930 CB TRP A 55 58.285 -3.768 0.530 1.00 0.00 C ATOM 931 CG TRP A 55 57.051 -3.056 0.052 1.00 0.00 C ATOM 932 CD1 TRP A 55 55.895 -2.911 0.751 1.00 0.00 C ATOM 933 CD2 TRP A 55 56.835 -2.400 -1.231 1.00 0.00 C ATOM 934 NE1 TRP A 55 55.002 -2.198 -0.016 1.00 0.00 N ATOM 935 CE2 TRP A 55 55.527 -1.874 -1.255 1.00 0.00 C ATOM 936 CE3 TRP A 55 57.644 -2.215 -2.365 1.00 0.00 C ATOM 937 CZ2 TRP A 55 55.039 -1.194 -2.374 1.00 0.00 C ATOM 938 CZ3 TRP A 55 57.160 -1.532 -3.486 1.00 0.00 C ATOM 939 CH2 TRP A 55 55.860 -1.029 -3.493 1.00 0.00 C ATOM 0 H TRP A 55 60.385 -5.167 0.535 1.00 0.00 H new ATOM 0 HA TRP A 55 57.512 -5.778 0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 55 58.310 -3.772 1.620 1.00 0.00 H new ATOM 0 HB3 TRP A 55 59.173 -3.233 0.193 1.00 0.00 H new ATOM 0 HD1 TRP A 55 55.708 -3.292 1.744 1.00 0.00 H new ATOM 0 HE1 TRP A 55 54.065 -1.939 0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 55 58.651 -2.605 -2.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 54.034 -0.799 -2.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 57.795 -1.394 -4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 55 55.487 -0.511 -4.364 1.00 0.00 H new ATOM 950 N PHE A 56 59.143 -5.089 -2.303 1.00 0.00 N ATOM 951 CA PHE A 56 58.958 -5.139 -3.784 1.00 0.00 C ATOM 952 C PHE A 56 59.075 -6.581 -4.281 1.00 0.00 C ATOM 953 O PHE A 56 58.725 -6.872 -5.408 1.00 0.00 O ATOM 954 CB PHE A 56 59.991 -4.265 -4.506 1.00 0.00 C ATOM 955 CG PHE A 56 59.475 -3.949 -5.898 1.00 0.00 C ATOM 956 CD1 PHE A 56 58.194 -3.407 -6.061 1.00 0.00 C ATOM 957 CD2 PHE A 56 60.266 -4.208 -7.025 1.00 0.00 C ATOM 958 CE1 PHE A 56 57.701 -3.128 -7.335 1.00 0.00 C ATOM 959 CE2 PHE A 56 59.771 -3.924 -8.306 1.00 0.00 C ATOM 960 CZ PHE A 56 58.485 -3.385 -8.457 1.00 0.00 C ATOM 0 H PHE A 56 60.097 -4.917 -1.985 1.00 0.00 H new ATOM 0 HA PHE A 56 57.963 -4.753 -4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 56 60.162 -3.344 -3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 56 60.948 -4.783 -4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 56 57.584 -3.204 -5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 56 61.255 -4.626 -6.907 1.00 0.00 H new ATOM 0 HE1 PHE A 56 56.711 -2.713 -7.452 1.00 0.00 H new ATOM 0 HE2 PHE A 56 60.380 -4.120 -9.176 1.00 0.00 H new ATOM 0 HZ PHE A 56 58.103 -3.169 -9.444 1.00 0.00 H new ATOM 970 N CYS A 57 59.543 -7.493 -3.457 1.00 0.00 N ATOM 971 CA CYS A 57 59.644 -8.912 -3.900 1.00 0.00 C ATOM 972 C CYS A 57 58.228 -9.441 -4.090 1.00 0.00 C ATOM 973 O CYS A 57 57.935 -10.149 -5.035 1.00 0.00 O ATOM 974 CB CYS A 57 60.371 -9.735 -2.836 1.00 0.00 C ATOM 975 SG CYS A 57 60.804 -11.358 -3.512 1.00 0.00 S ATOM 0 H CYS A 57 59.856 -7.311 -2.503 1.00 0.00 H new ATOM 0 HA CYS A 57 60.204 -8.984 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 57 61.271 -9.213 -2.511 1.00 0.00 H new ATOM 0 HB3 CYS A 57 59.737 -9.853 -1.958 1.00 0.00 H new ATOM 0 HG CYS A 57 61.424 -12.054 -2.606 1.00 0.00 H new ATOM 981 N ASN A 58 57.340 -9.068 -3.204 1.00 0.00 N ATOM 982 CA ASN A 58 55.925 -9.505 -3.331 1.00 0.00 C ATOM 983 C ASN A 58 55.257 -8.631 -4.394 1.00 0.00 C ATOM 984 O ASN A 58 54.466 -9.097 -5.192 1.00 0.00 O ATOM 985 CB ASN A 58 55.211 -9.337 -1.987 1.00 0.00 C ATOM 986 CG ASN A 58 55.495 -10.554 -1.104 1.00 0.00 C ATOM 987 OD1 ASN A 58 55.928 -10.415 0.023 1.00 0.00 O ATOM 988 ND2 ASN A 58 55.269 -11.751 -1.572 1.00 0.00 N ATOM 0 H ASN A 58 57.539 -8.477 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 58 55.872 -10.555 -3.620 1.00 0.00 H new ATOM 0 HB2 ASN A 58 55.553 -8.428 -1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 58 54.138 -9.230 -2.144 1.00 0.00 H new ATOM 0 HD21 ASN A 58 55.456 -12.569 -0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 58 54.906 -11.869 -2.518 1.00 0.00 H new ATOM 995 N ARG A 59 55.596 -7.363 -4.421 1.00 0.00 N ATOM 996 CA ARG A 59 55.011 -6.442 -5.447 1.00 0.00 C ATOM 997 C ARG A 59 55.547 -6.811 -6.841 1.00 0.00 C ATOM 998 O ARG A 59 55.034 -6.349 -7.844 1.00 0.00 O ATOM 999 CB ARG A 59 55.401 -4.988 -5.118 1.00 0.00 C ATOM 1000 CG ARG A 59 54.167 -4.079 -5.118 1.00 0.00 C ATOM 1001 CD ARG A 59 53.114 -4.577 -4.115 1.00 0.00 C ATOM 1002 NE ARG A 59 53.767 -4.920 -2.817 1.00 0.00 N ATOM 1003 CZ ARG A 59 53.232 -5.815 -2.028 1.00 0.00 C ATOM 1004 NH1 ARG A 59 51.933 -5.905 -1.919 1.00 0.00 N ATOM 1005 NH2 ARG A 59 53.998 -6.615 -1.338 1.00 0.00 N ATOM 0 H ARG A 59 56.254 -6.926 -3.775 1.00 0.00 H new ATOM 0 HA ARG A 59 53.925 -6.539 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 59 55.887 -4.949 -4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 59 56.124 -4.627 -5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 59 54.462 -3.060 -4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 59 53.735 -4.047 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 59 52.357 -3.809 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 59 52.602 -5.452 -4.517 1.00 0.00 H new ATOM 0 HE ARG A 59 54.633 -4.455 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 59 51.332 -5.276 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 59 51.520 -6.605 -1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 59 55.012 -6.542 -1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 59 53.582 -7.314 -0.722 1.00 0.00 H new ATOM 1019 N ARG A 60 56.571 -7.634 -6.917 1.00 0.00 N ATOM 1020 CA ARG A 60 57.125 -8.019 -8.247 1.00 0.00 C ATOM 1021 C ARG A 60 56.339 -9.210 -8.791 1.00 0.00 C ATOM 1022 O ARG A 60 55.945 -9.232 -9.941 1.00 0.00 O ATOM 1023 CB ARG A 60 58.598 -8.408 -8.094 1.00 0.00 C ATOM 1024 CG ARG A 60 59.468 -7.146 -8.094 1.00 0.00 C ATOM 1025 CD ARG A 60 60.714 -7.371 -7.227 1.00 0.00 C ATOM 1026 NE ARG A 60 61.938 -7.242 -8.068 1.00 0.00 N ATOM 1027 CZ ARG A 60 63.111 -7.153 -7.501 1.00 0.00 C ATOM 1028 NH1 ARG A 60 63.527 -8.104 -6.711 1.00 0.00 N ATOM 1029 NH2 ARG A 60 63.867 -6.113 -7.724 1.00 0.00 N ATOM 0 H ARG A 60 57.042 -8.052 -6.114 1.00 0.00 H new ATOM 0 HA ARG A 60 57.043 -7.178 -8.936 1.00 0.00 H new ATOM 0 HB2 ARG A 60 58.743 -8.962 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 60 58.897 -9.067 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 60 59.764 -6.897 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 60 58.897 -6.300 -7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 60 60.740 -6.645 -6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 60 60.677 -8.360 -6.769 1.00 0.00 H new ATOM 0 HE ARG A 60 61.859 -7.223 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 60 62.936 -8.917 -6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 60 64.443 -8.035 -6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 60 63.542 -5.369 -8.341 1.00 0.00 H new ATOM 0 HH22 ARG A 60 64.783 -6.044 -7.281 1.00 0.00 H new ATOM 1043 N GLN A 61 56.104 -10.199 -7.965 1.00 0.00 N ATOM 1044 CA GLN A 61 55.336 -11.394 -8.421 1.00 0.00 C ATOM 1045 C GLN A 61 53.898 -11.291 -7.921 1.00 0.00 C ATOM 1046 O GLN A 61 53.385 -12.176 -7.261 1.00 0.00 O ATOM 1047 CB GLN A 61 55.993 -12.671 -7.883 1.00 0.00 C ATOM 1048 CG GLN A 61 56.155 -12.566 -6.365 1.00 0.00 C ATOM 1049 CD GLN A 61 56.558 -13.927 -5.795 1.00 0.00 C ATOM 1050 OE1 GLN A 61 56.269 -14.953 -6.378 1.00 0.00 O ATOM 1051 NE2 GLN A 61 57.218 -13.980 -4.669 1.00 0.00 N ATOM 0 H GLN A 61 56.412 -10.229 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 61 55.335 -11.434 -9.510 1.00 0.00 H new ATOM 0 HB2 GLN A 61 55.384 -13.539 -8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 61 56.965 -12.817 -8.353 1.00 0.00 H new ATOM 0 HG2 GLN A 61 56.911 -11.820 -6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 61 55.221 -12.233 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 61 57.461 -13.119 -4.179 1.00 0.00 H new ATOM 0 HE22 GLN A 61 57.491 -14.882 -4.280 1.00 0.00 H new