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 Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 63:sc= 0.391 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=-0.00226 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0189 X(o=-0.019,f=-0.028) USER MOD Single : A 37 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.258 X(o=-0.26,f=-0.37) USER MOD Single : A 43 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.042) USER MOD Single : A 44 GLN : amide:sc=-0.000242 X(o=-0.00024,f=-0.096) 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= 0.0872 X(o=0.087,f=0) USER MOD Single : A 61 GLN : amide:sc= 0.0908 X(o=0.091,f=0) USER MOD ----------------------------------------------------------------- ATOM 252 N ILE A 15 60.873 -6.550 9.677 1.00 0.00 N ATOM 253 CA ILE A 15 60.409 -6.557 8.259 1.00 0.00 C ATOM 254 C ILE A 15 60.543 -7.981 7.718 1.00 0.00 C ATOM 255 O ILE A 15 61.512 -8.307 7.056 1.00 0.00 O ATOM 256 CB ILE A 15 61.280 -5.605 7.408 1.00 0.00 C ATOM 257 CG1 ILE A 15 61.025 -4.145 7.813 1.00 0.00 C ATOM 258 CG2 ILE A 15 60.952 -5.770 5.911 1.00 0.00 C ATOM 259 CD1 ILE A 15 59.558 -3.771 7.560 1.00 0.00 C ATOM 0 HA ILE A 15 59.373 -6.222 8.209 1.00 0.00 H new ATOM 0 HB ILE A 15 62.326 -5.857 7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 15 61.267 -4.005 8.867 1.00 0.00 H new ATOM 0 HG13 ILE A 15 61.679 -3.483 7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 15 61.574 -5.093 5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 15 61.149 -6.798 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 15 59.901 -5.536 5.741 1.00 0.00 H new ATOM 0 HD11 ILE A 15 59.391 -2.734 7.851 1.00 0.00 H new ATOM 0 HD12 ILE A 15 59.329 -3.892 6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 15 58.910 -4.421 8.148 1.00 0.00 H new ATOM 271 N GLU A 16 59.571 -8.824 7.963 1.00 0.00 N ATOM 272 CA GLU A 16 59.635 -10.211 7.428 1.00 0.00 C ATOM 273 C GLU A 16 59.713 -10.110 5.908 1.00 0.00 C ATOM 274 O GLU A 16 59.160 -9.205 5.323 1.00 0.00 O ATOM 275 CB GLU A 16 58.378 -10.983 7.837 1.00 0.00 C ATOM 276 CG GLU A 16 58.684 -11.842 9.066 1.00 0.00 C ATOM 277 CD GLU A 16 57.417 -12.578 9.503 1.00 0.00 C ATOM 278 OE1 GLU A 16 57.034 -13.515 8.822 1.00 0.00 O ATOM 279 OE2 GLU A 16 56.849 -12.191 10.512 1.00 0.00 O ATOM 0 H GLU A 16 58.738 -8.608 8.511 1.00 0.00 H new ATOM 0 HA GLU A 16 60.503 -10.739 7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 16 57.568 -10.288 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 16 58.042 -11.614 7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 16 59.472 -12.559 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 16 59.052 -11.215 9.878 1.00 0.00 H new ATOM 286 N ASN A 17 60.415 -10.999 5.270 1.00 0.00 N ATOM 287 CA ASN A 17 60.544 -10.920 3.782 1.00 0.00 C ATOM 288 C ASN A 17 59.163 -10.945 3.123 1.00 0.00 C ATOM 289 O ASN A 17 58.999 -10.494 2.004 1.00 0.00 O ATOM 290 CB ASN A 17 61.383 -12.094 3.273 1.00 0.00 C ATOM 291 CG ASN A 17 62.869 -11.792 3.479 1.00 0.00 C ATOM 292 OD1 ASN A 17 63.426 -10.939 2.818 1.00 0.00 O ATOM 293 ND2 ASN A 17 63.540 -12.465 4.375 1.00 0.00 N ATOM 0 H ASN A 17 60.906 -11.778 5.708 1.00 0.00 H new ATOM 0 HA ASN A 17 61.037 -9.983 3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 17 61.110 -13.006 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 17 61.180 -12.268 2.216 1.00 0.00 H new ATOM 0 HD21 ASN A 17 64.532 -12.274 4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 17 63.072 -13.182 4.930 1.00 0.00 H new ATOM 300 N ARG A 18 58.169 -11.448 3.808 1.00 0.00 N ATOM 301 CA ARG A 18 56.803 -11.476 3.221 1.00 0.00 C ATOM 302 C ARG A 18 56.093 -10.171 3.561 1.00 0.00 C ATOM 303 O ARG A 18 55.256 -9.705 2.814 1.00 0.00 O ATOM 304 CB ARG A 18 56.014 -12.654 3.796 1.00 0.00 C ATOM 305 CG ARG A 18 56.643 -13.970 3.333 1.00 0.00 C ATOM 306 CD ARG A 18 55.648 -15.118 3.532 1.00 0.00 C ATOM 307 NE ARG A 18 56.357 -16.286 4.124 1.00 0.00 N ATOM 308 CZ ARG A 18 56.236 -16.546 5.396 1.00 0.00 C ATOM 309 NH1 ARG A 18 57.012 -15.951 6.260 1.00 0.00 N ATOM 310 NH2 ARG A 18 55.341 -17.402 5.805 1.00 0.00 N ATOM 0 H ARG A 18 58.247 -11.839 4.747 1.00 0.00 H new ATOM 0 HA ARG A 18 56.872 -11.590 2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.010 -12.605 4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.975 -12.602 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 18 56.925 -13.899 2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 18 57.556 -14.166 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.836 -14.801 4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 18 55.199 -15.395 2.578 1.00 0.00 H new ATOM 0 HE ARG A 18 56.937 -16.883 3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 18 57.713 -15.283 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 18 56.917 -16.154 7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 18 54.735 -17.868 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 18 55.247 -17.605 6.800 1.00 0.00 H new ATOM 324 N VAL A 19 56.418 -9.579 4.684 1.00 0.00 N ATOM 325 CA VAL A 19 55.757 -8.301 5.069 1.00 0.00 C ATOM 326 C VAL A 19 56.160 -7.198 4.090 1.00 0.00 C ATOM 327 O VAL A 19 55.347 -6.390 3.696 1.00 0.00 O ATOM 328 CB VAL A 19 56.129 -7.920 6.528 1.00 0.00 C ATOM 329 CG1 VAL A 19 57.286 -6.903 6.600 1.00 0.00 C ATOM 330 CG2 VAL A 19 54.894 -7.306 7.188 1.00 0.00 C ATOM 0 H VAL A 19 57.111 -9.927 5.347 1.00 0.00 H new ATOM 0 HA VAL A 19 54.675 -8.425 5.023 1.00 0.00 H new ATOM 0 HB VAL A 19 56.458 -8.825 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 19 57.504 -6.673 7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 19 58.173 -7.327 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 19 57.000 -5.989 6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 19 55.130 -7.030 8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 19 54.589 -6.418 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 19 54.081 -8.032 7.185 1.00 0.00 H new ATOM 340 N ARG A 20 57.415 -7.146 3.726 1.00 0.00 N ATOM 341 CA ARG A 20 57.870 -6.078 2.795 1.00 0.00 C ATOM 342 C ARG A 20 57.239 -6.278 1.437 1.00 0.00 C ATOM 343 O ARG A 20 56.620 -5.371 0.903 1.00 0.00 O ATOM 344 CB ARG A 20 59.395 -6.103 2.670 1.00 0.00 C ATOM 345 CG ARG A 20 59.915 -4.670 2.546 1.00 0.00 C ATOM 346 CD ARG A 20 61.382 -4.694 2.118 1.00 0.00 C ATOM 347 NE ARG A 20 61.829 -3.307 1.818 1.00 0.00 N ATOM 348 CZ ARG A 20 63.098 -3.052 1.663 1.00 0.00 C ATOM 349 NH1 ARG A 20 63.895 -3.053 2.696 1.00 0.00 N ATOM 350 NH2 ARG A 20 63.570 -2.797 0.474 1.00 0.00 N ATOM 0 H ARG A 20 58.140 -7.795 4.033 1.00 0.00 H new ATOM 0 HA ARG A 20 57.565 -5.110 3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 20 59.835 -6.588 3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 20 59.690 -6.686 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.322 -4.119 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 20 59.812 -4.151 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.997 -5.123 2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.506 -5.327 1.239 1.00 0.00 H new ATOM 0 HE ARG A 20 61.143 -2.557 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.525 -3.253 3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 20 64.888 -2.853 2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 20 62.946 -2.797 -0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.563 -2.597 0.351 1.00 0.00 H new ATOM 364 N TRP A 21 57.373 -7.444 0.858 1.00 0.00 N ATOM 365 CA TRP A 21 56.751 -7.639 -0.474 1.00 0.00 C ATOM 366 C TRP A 21 55.230 -7.788 -0.304 1.00 0.00 C ATOM 367 O TRP A 21 54.496 -7.753 -1.271 1.00 0.00 O ATOM 368 CB TRP A 21 57.406 -8.811 -1.228 1.00 0.00 C ATOM 369 CG TRP A 21 58.290 -8.231 -2.309 1.00 0.00 C ATOM 370 CD1 TRP A 21 58.488 -8.760 -3.539 1.00 0.00 C ATOM 371 CD2 TRP A 21 59.070 -6.991 -2.272 1.00 0.00 C ATOM 372 NE1 TRP A 21 59.330 -7.921 -4.259 1.00 0.00 N ATOM 373 CE2 TRP A 21 59.714 -6.817 -3.516 1.00 0.00 C ATOM 374 CE3 TRP A 21 59.274 -6.010 -1.287 1.00 0.00 C ATOM 375 CZ2 TRP A 21 60.528 -5.701 -3.767 1.00 0.00 C ATOM 376 CZ3 TRP A 21 60.082 -4.897 -1.532 1.00 0.00 C ATOM 377 CH2 TRP A 21 60.708 -4.741 -2.772 1.00 0.00 C ATOM 0 H TRP A 21 57.873 -8.246 1.241 1.00 0.00 H new ATOM 0 HA TRP A 21 56.925 -6.763 -1.100 1.00 0.00 H new ATOM 0 HB2 TRP A 21 57.992 -9.425 -0.544 1.00 0.00 H new ATOM 0 HB3 TRP A 21 56.644 -9.458 -1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.061 -9.683 -3.902 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.629 -8.097 -5.218 1.00 0.00 H new ATOM 0 HE3 TRP A 21 58.798 -6.118 -0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.012 -5.587 -4.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 60.223 -4.154 -0.761 1.00 0.00 H new ATOM 0 HH2 TRP A 21 61.330 -3.878 -2.959 1.00 0.00 H new ATOM 388 N SER A 22 54.742 -7.843 0.927 1.00 0.00 N ATOM 389 CA SER A 22 53.276 -7.856 1.148 1.00 0.00 C ATOM 390 C SER A 22 52.838 -6.416 0.899 1.00 0.00 C ATOM 391 O SER A 22 51.850 -6.151 0.242 1.00 0.00 O ATOM 392 CB SER A 22 52.947 -8.265 2.586 1.00 0.00 C ATOM 393 OG SER A 22 51.623 -7.850 2.900 1.00 0.00 O ATOM 0 H SER A 22 55.308 -7.879 1.775 1.00 0.00 H new ATOM 0 HA SER A 22 52.770 -8.568 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 22 53.039 -9.345 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 22 53.657 -7.811 3.277 1.00 0.00 H new ATOM 0 HG SER A 22 51.408 -8.111 3.820 1.00 0.00 H new ATOM 399 N LEU A 23 53.638 -5.470 1.368 1.00 0.00 N ATOM 400 CA LEU A 23 53.357 -4.026 1.106 1.00 0.00 C ATOM 401 C LEU A 23 53.241 -3.871 -0.411 1.00 0.00 C ATOM 402 O LEU A 23 52.343 -3.246 -0.928 1.00 0.00 O ATOM 403 CB LEU A 23 54.547 -3.163 1.572 1.00 0.00 C ATOM 404 CG LEU A 23 54.782 -3.264 3.084 1.00 0.00 C ATOM 405 CD1 LEU A 23 56.281 -3.102 3.357 1.00 0.00 C ATOM 406 CD2 LEU A 23 54.034 -2.138 3.806 1.00 0.00 C ATOM 0 H LEU A 23 54.475 -5.648 1.923 1.00 0.00 H new ATOM 0 HA LEU A 23 52.454 -3.714 1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 23 55.448 -3.476 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 23 54.365 -2.122 1.303 1.00 0.00 H new ATOM 0 HG LEU A 23 54.423 -4.229 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.465 -3.171 4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 23 56.832 -3.889 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 23 56.614 -2.130 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 23 54.206 -2.217 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 23 54.397 -1.174 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 23 52.966 -2.222 3.603 1.00 0.00 H new ATOM 418 N GLU A 24 54.169 -4.470 -1.110 1.00 0.00 N ATOM 419 CA GLU A 24 54.172 -4.411 -2.602 1.00 0.00 C ATOM 420 C GLU A 24 52.885 -5.018 -3.165 1.00 0.00 C ATOM 421 O GLU A 24 52.366 -4.560 -4.161 1.00 0.00 O ATOM 422 CB GLU A 24 55.369 -5.210 -3.128 1.00 0.00 C ATOM 423 CG GLU A 24 55.506 -5.016 -4.644 1.00 0.00 C ATOM 424 CD GLU A 24 55.659 -6.376 -5.331 1.00 0.00 C ATOM 425 OE1 GLU A 24 54.713 -7.145 -5.295 1.00 0.00 O ATOM 426 OE2 GLU A 24 56.719 -6.624 -5.882 1.00 0.00 O ATOM 0 H GLU A 24 54.936 -5.006 -0.704 1.00 0.00 H new ATOM 0 HA GLU A 24 54.239 -3.369 -2.915 1.00 0.00 H new ATOM 0 HB2 GLU A 24 56.281 -4.885 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 24 55.239 -6.268 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 24 54.630 -4.498 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 24 56.370 -4.389 -4.863 1.00 0.00 H new ATOM 433 N THR A 25 52.376 -6.048 -2.546 1.00 0.00 N ATOM 434 CA THR A 25 51.129 -6.691 -3.055 1.00 0.00 C ATOM 435 C THR A 25 49.950 -5.730 -2.899 1.00 0.00 C ATOM 436 O THR A 25 48.976 -5.809 -3.624 1.00 0.00 O ATOM 437 CB THR A 25 50.853 -7.966 -2.254 1.00 0.00 C ATOM 438 OG1 THR A 25 52.042 -8.739 -2.173 1.00 0.00 O ATOM 439 CG2 THR A 25 49.759 -8.782 -2.947 1.00 0.00 C ATOM 0 H THR A 25 52.770 -6.474 -1.707 1.00 0.00 H new ATOM 0 HA THR A 25 51.255 -6.938 -4.109 1.00 0.00 H new ATOM 0 HB THR A 25 50.522 -7.699 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 25 52.727 -8.235 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 25 49.564 -9.689 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 25 48.847 -8.189 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 25 50.086 -9.050 -3.952 1.00 0.00 H new ATOM 447 N MET A 26 50.019 -4.839 -1.942 1.00 0.00 N ATOM 448 CA MET A 26 48.888 -3.887 -1.717 1.00 0.00 C ATOM 449 C MET A 26 49.060 -2.596 -2.537 1.00 0.00 C ATOM 450 O MET A 26 48.088 -1.925 -2.834 1.00 0.00 O ATOM 451 CB MET A 26 48.824 -3.537 -0.230 1.00 0.00 C ATOM 452 CG MET A 26 48.478 -4.792 0.575 1.00 0.00 C ATOM 453 SD MET A 26 48.570 -4.420 2.344 1.00 0.00 S ATOM 454 CE MET A 26 46.886 -3.785 2.528 1.00 0.00 C ATOM 0 H MET A 26 50.809 -4.729 -1.307 1.00 0.00 H new ATOM 0 HA MET A 26 47.965 -4.369 -2.040 1.00 0.00 H new ATOM 0 HB2 MET A 26 49.780 -3.132 0.101 1.00 0.00 H new ATOM 0 HB3 MET A 26 48.074 -2.764 -0.059 1.00 0.00 H new ATOM 0 HG2 MET A 26 47.477 -5.138 0.317 1.00 0.00 H new ATOM 0 HG3 MET A 26 49.168 -5.598 0.326 1.00 0.00 H new ATOM 0 HE1 MET A 26 46.720 -3.490 3.564 1.00 0.00 H new ATOM 0 HE2 MET A 26 46.750 -2.921 1.878 1.00 0.00 H new ATOM 0 HE3 MET A 26 46.172 -4.562 2.253 1.00 0.00 H new ATOM 464 N PHE A 27 50.271 -2.224 -2.889 1.00 0.00 N ATOM 465 CA PHE A 27 50.462 -0.954 -3.667 1.00 0.00 C ATOM 466 C PHE A 27 50.408 -1.214 -5.174 1.00 0.00 C ATOM 467 O PHE A 27 50.134 -0.315 -5.948 1.00 0.00 O ATOM 468 CB PHE A 27 51.805 -0.307 -3.315 1.00 0.00 C ATOM 469 CG PHE A 27 51.678 0.395 -1.986 1.00 0.00 C ATOM 470 CD1 PHE A 27 50.973 1.601 -1.896 1.00 0.00 C ATOM 471 CD2 PHE A 27 52.257 -0.163 -0.842 1.00 0.00 C ATOM 472 CE1 PHE A 27 50.850 2.248 -0.661 1.00 0.00 C ATOM 473 CE2 PHE A 27 52.133 0.483 0.392 1.00 0.00 C ATOM 474 CZ PHE A 27 51.431 1.688 0.483 1.00 0.00 C ATOM 0 H PHE A 27 51.126 -2.738 -2.675 1.00 0.00 H new ATOM 0 HA PHE A 27 49.650 -0.279 -3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 27 52.587 -1.065 -3.267 1.00 0.00 H new ATOM 0 HB3 PHE A 27 52.096 0.403 -4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 27 50.524 2.032 -2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 27 52.800 -1.094 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 27 50.307 3.179 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 27 52.580 0.051 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 27 51.337 2.187 1.436 1.00 0.00 H new ATOM 484 N LEU A 28 50.669 -2.421 -5.602 1.00 0.00 N ATOM 485 CA LEU A 28 50.634 -2.716 -7.066 1.00 0.00 C ATOM 486 C LEU A 28 49.182 -2.827 -7.545 1.00 0.00 C ATOM 487 O LEU A 28 48.904 -2.698 -8.723 1.00 0.00 O ATOM 488 CB LEU A 28 51.393 -4.014 -7.350 1.00 0.00 C ATOM 489 CG LEU A 28 52.879 -3.807 -7.034 1.00 0.00 C ATOM 490 CD1 LEU A 28 53.636 -5.119 -7.238 1.00 0.00 C ATOM 491 CD2 LEU A 28 53.463 -2.734 -7.961 1.00 0.00 C ATOM 0 H LEU A 28 50.904 -3.213 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 28 51.115 -1.902 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 28 50.989 -4.825 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 28 51.267 -4.302 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 28 52.981 -3.485 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 28 54.692 -4.969 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 28 53.228 -5.881 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 28 53.529 -5.444 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 54.519 -2.591 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 28 53.356 -3.052 -8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 28 52.929 -1.795 -7.813 1.00 0.00 H new ATOM 503 N LYS A 29 48.254 -3.037 -6.644 1.00 0.00 N ATOM 504 CA LYS A 29 46.820 -3.124 -7.045 1.00 0.00 C ATOM 505 C LYS A 29 46.169 -1.769 -6.770 1.00 0.00 C ATOM 506 O LYS A 29 45.255 -1.361 -7.461 1.00 0.00 O ATOM 507 CB LYS A 29 46.119 -4.230 -6.218 1.00 0.00 C ATOM 508 CG LYS A 29 44.598 -3.967 -6.100 1.00 0.00 C ATOM 509 CD LYS A 29 43.844 -5.301 -6.094 1.00 0.00 C ATOM 510 CE LYS A 29 43.966 -5.966 -4.716 1.00 0.00 C ATOM 511 NZ LYS A 29 44.544 -7.330 -4.874 1.00 0.00 N ATOM 0 H LYS A 29 48.431 -3.152 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 29 46.731 -3.372 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 29 46.287 -5.199 -6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 29 46.560 -4.277 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 29 44.384 -3.413 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 29 44.260 -3.350 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.794 -5.136 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 29 44.248 -5.960 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 29 44.599 -5.364 -4.064 1.00 0.00 H new ATOM 0 HE3 LYS A 29 42.987 -6.027 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 44.627 -7.782 -3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 43.923 -7.902 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 45.486 -7.260 -5.310 1.00 0.00 H new ATOM 525 N CYS A 30 46.609 -1.099 -5.741 1.00 0.00 N ATOM 526 CA CYS A 30 45.995 0.204 -5.388 1.00 0.00 C ATOM 527 C CYS A 30 46.987 1.353 -5.636 1.00 0.00 C ATOM 528 O CYS A 30 47.751 1.690 -4.753 1.00 0.00 O ATOM 529 CB CYS A 30 45.594 0.182 -3.902 1.00 0.00 C ATOM 530 SG CYS A 30 43.833 0.582 -3.719 1.00 0.00 S ATOM 0 H CYS A 30 47.368 -1.401 -5.131 1.00 0.00 H new ATOM 0 HA CYS A 30 45.116 0.365 -6.012 1.00 0.00 H new ATOM 0 HB2 CYS A 30 45.796 -0.802 -3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 30 46.197 0.899 -3.345 1.00 0.00 H new ATOM 0 HG CYS A 30 43.511 0.557 -2.460 1.00 0.00 H new ATOM 536 N PRO A 31 46.917 1.974 -6.805 1.00 0.00 N ATOM 537 CA PRO A 31 47.770 3.128 -7.115 1.00 0.00 C ATOM 538 C PRO A 31 47.099 4.397 -6.557 1.00 0.00 C ATOM 539 O PRO A 31 47.514 5.504 -6.839 1.00 0.00 O ATOM 540 CB PRO A 31 47.774 3.181 -8.642 1.00 0.00 C ATOM 541 CG PRO A 31 46.484 2.463 -9.099 1.00 0.00 C ATOM 542 CD PRO A 31 46.012 1.599 -7.915 1.00 0.00 C ATOM 0 HA PRO A 31 48.773 3.056 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 31 47.793 4.212 -8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 31 48.658 2.689 -9.047 1.00 0.00 H new ATOM 0 HG2 PRO A 31 45.718 3.186 -9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 31 46.676 1.845 -9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 31 44.971 1.802 -7.665 1.00 0.00 H new ATOM 0 HD3 PRO A 31 46.084 0.536 -8.145 1.00 0.00 H new ATOM 550 N LYS A 32 46.042 4.236 -5.777 1.00 0.00 N ATOM 551 CA LYS A 32 45.322 5.398 -5.216 1.00 0.00 C ATOM 552 C LYS A 32 45.351 5.401 -3.659 1.00 0.00 C ATOM 553 O LYS A 32 44.333 5.669 -3.050 1.00 0.00 O ATOM 554 CB LYS A 32 43.857 5.322 -5.693 1.00 0.00 C ATOM 555 CG LYS A 32 43.299 3.886 -5.517 1.00 0.00 C ATOM 556 CD LYS A 32 41.816 3.950 -5.115 1.00 0.00 C ATOM 557 CE LYS A 32 40.970 3.134 -6.099 1.00 0.00 C ATOM 558 NZ LYS A 32 39.947 2.355 -5.346 1.00 0.00 N ATOM 0 H LYS A 32 45.657 3.329 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 32 45.809 6.312 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 32 43.248 6.027 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 32 43.794 5.616 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 32 43.410 3.326 -6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 32 43.869 3.355 -4.755 1.00 0.00 H new ATOM 0 HD2 LYS A 32 41.688 3.563 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.478 4.986 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 32 40.484 3.797 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 32 41.607 2.460 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 39.372 1.801 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.421 1.712 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 39.332 3.008 -4.819 1.00 0.00 H new ATOM 572 N PRO A 33 46.491 5.119 -3.030 1.00 0.00 N ATOM 573 CA PRO A 33 46.567 5.117 -1.554 1.00 0.00 C ATOM 574 C PRO A 33 46.638 6.546 -1.010 1.00 0.00 C ATOM 575 O PRO A 33 47.258 7.413 -1.596 1.00 0.00 O ATOM 576 CB PRO A 33 47.877 4.389 -1.251 1.00 0.00 C ATOM 577 CG PRO A 33 48.749 4.533 -2.514 1.00 0.00 C ATOM 578 CD PRO A 33 47.781 4.779 -3.683 1.00 0.00 C ATOM 0 HA PRO A 33 45.695 4.647 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 33 48.373 4.824 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 33 47.695 3.339 -1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 33 49.450 5.361 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 33 49.341 3.633 -2.682 1.00 0.00 H new ATOM 0 HD2 PRO A 33 48.129 5.590 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 33 47.686 3.895 -4.313 1.00 0.00 H new ATOM 586 N SER A 34 46.028 6.783 0.120 1.00 0.00 N ATOM 587 CA SER A 34 46.073 8.134 0.735 1.00 0.00 C ATOM 588 C SER A 34 47.270 8.201 1.665 1.00 0.00 C ATOM 589 O SER A 34 47.655 7.206 2.249 1.00 0.00 O ATOM 590 CB SER A 34 44.793 8.375 1.537 1.00 0.00 C ATOM 591 OG SER A 34 43.675 8.340 0.660 1.00 0.00 O ATOM 0 H SER A 34 45.496 6.089 0.646 1.00 0.00 H new ATOM 0 HA SER A 34 46.157 8.894 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 34 44.687 7.615 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 34 44.843 9.339 2.042 1.00 0.00 H new ATOM 0 HG SER A 34 42.853 8.492 1.172 1.00 0.00 H new ATOM 597 N LEU A 35 47.856 9.364 1.839 1.00 0.00 N ATOM 598 CA LEU A 35 49.009 9.465 2.784 1.00 0.00 C ATOM 599 C LEU A 35 48.511 9.037 4.182 1.00 0.00 C ATOM 600 O LEU A 35 49.274 8.601 5.024 1.00 0.00 O ATOM 601 CB LEU A 35 49.583 10.903 2.789 1.00 0.00 C ATOM 602 CG LEU A 35 48.693 11.872 3.583 1.00 0.00 C ATOM 603 CD1 LEU A 35 49.465 13.165 3.854 1.00 0.00 C ATOM 604 CD2 LEU A 35 47.436 12.202 2.775 1.00 0.00 C ATOM 0 H LEU A 35 47.589 10.232 1.375 1.00 0.00 H new ATOM 0 HA LEU A 35 49.822 8.809 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 35 50.584 10.893 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 35 49.682 11.258 1.763 1.00 0.00 H new ATOM 0 HG LEU A 35 48.408 11.405 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 35 48.835 13.854 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 35 50.362 12.939 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 35 49.749 13.625 2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 35 46.809 12.889 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 35 47.722 12.667 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 35 46.881 11.285 2.575 1.00 0.00 H new ATOM 616 N GLN A 36 47.211 9.126 4.407 1.00 0.00 N ATOM 617 CA GLN A 36 46.649 8.687 5.714 1.00 0.00 C ATOM 618 C GLN A 36 46.764 7.172 5.744 1.00 0.00 C ATOM 619 O GLN A 36 47.161 6.582 6.730 1.00 0.00 O ATOM 620 CB GLN A 36 45.180 9.107 5.823 1.00 0.00 C ATOM 621 CG GLN A 36 44.875 9.532 7.261 1.00 0.00 C ATOM 622 CD GLN A 36 45.317 10.982 7.472 1.00 0.00 C ATOM 623 OE1 GLN A 36 46.369 11.235 8.024 1.00 0.00 O ATOM 624 NE2 GLN A 36 44.552 11.952 7.052 1.00 0.00 N ATOM 0 H GLN A 36 46.528 9.483 3.739 1.00 0.00 H new ATOM 0 HA GLN A 36 47.185 9.140 6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 36 44.974 9.930 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 36 44.532 8.280 5.532 1.00 0.00 H new ATOM 0 HG2 GLN A 36 43.808 9.433 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.393 8.878 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 36 43.668 11.740 6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 36 44.838 12.922 7.187 1.00 0.00 H new ATOM 633 N GLN A 37 46.459 6.547 4.635 1.00 0.00 N ATOM 634 CA GLN A 37 46.592 5.071 4.541 1.00 0.00 C ATOM 635 C GLN A 37 48.076 4.711 4.695 1.00 0.00 C ATOM 636 O GLN A 37 48.409 3.613 5.093 1.00 0.00 O ATOM 637 CB GLN A 37 46.083 4.589 3.181 1.00 0.00 C ATOM 638 CG GLN A 37 46.040 3.057 3.166 1.00 0.00 C ATOM 639 CD GLN A 37 44.990 2.572 2.159 1.00 0.00 C ATOM 640 OE1 GLN A 37 44.314 3.364 1.530 1.00 0.00 O ATOM 641 NE2 GLN A 37 44.826 1.291 1.976 1.00 0.00 N ATOM 0 H GLN A 37 46.122 7.004 3.788 1.00 0.00 H new ATOM 0 HA GLN A 37 46.004 4.591 5.324 1.00 0.00 H new ATOM 0 HB2 GLN A 37 45.089 4.993 2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 37 46.735 4.953 2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 37 47.020 2.660 2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 37 45.802 2.682 4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 37 45.391 0.624 2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 37 44.133 0.956 1.307 1.00 0.00 H new ATOM 650 N ILE A 38 48.971 5.641 4.409 1.00 0.00 N ATOM 651 CA ILE A 38 50.422 5.354 4.577 1.00 0.00 C ATOM 652 C ILE A 38 50.703 5.306 6.080 1.00 0.00 C ATOM 653 O ILE A 38 51.499 4.519 6.546 1.00 0.00 O ATOM 654 CB ILE A 38 51.275 6.438 3.857 1.00 0.00 C ATOM 655 CG1 ILE A 38 51.399 6.063 2.369 1.00 0.00 C ATOM 656 CG2 ILE A 38 52.695 6.538 4.459 1.00 0.00 C ATOM 657 CD1 ILE A 38 52.066 4.682 2.218 1.00 0.00 C ATOM 0 H ILE A 38 48.750 6.577 4.069 1.00 0.00 H new ATOM 0 HA ILE A 38 50.692 4.400 4.125 1.00 0.00 H new ATOM 0 HB ILE A 38 50.779 7.401 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 38 50.412 6.050 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 38 51.986 6.817 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 38 53.261 7.305 3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 38 52.625 6.801 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 38 53.202 5.578 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 38 52.147 4.431 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 38 53.061 4.708 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 38 51.462 3.929 2.725 1.00 0.00 H new ATOM 669 N THR A 39 50.025 6.129 6.836 1.00 0.00 N ATOM 670 CA THR A 39 50.214 6.120 8.316 1.00 0.00 C ATOM 671 C THR A 39 49.734 4.763 8.841 1.00 0.00 C ATOM 672 O THR A 39 50.367 4.143 9.675 1.00 0.00 O ATOM 673 CB THR A 39 49.392 7.248 8.950 1.00 0.00 C ATOM 674 OG1 THR A 39 49.789 8.492 8.391 1.00 0.00 O ATOM 675 CG2 THR A 39 49.630 7.269 10.461 1.00 0.00 C ATOM 0 H THR A 39 49.347 6.809 6.491 1.00 0.00 H new ATOM 0 HA THR A 39 51.263 6.275 8.569 1.00 0.00 H new ATOM 0 HB THR A 39 48.333 7.080 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 39 49.263 9.214 8.794 1.00 0.00 H new ATOM 0 HG21 THR A 39 49.045 8.071 10.910 1.00 0.00 H new ATOM 0 HG22 THR A 39 49.326 6.314 10.890 1.00 0.00 H new ATOM 0 HG23 THR A 39 50.688 7.436 10.660 1.00 0.00 H new ATOM 683 N HIS A 40 48.632 4.290 8.318 1.00 0.00 N ATOM 684 CA HIS A 40 48.105 2.956 8.733 1.00 0.00 C ATOM 685 C HIS A 40 48.964 1.855 8.100 1.00 0.00 C ATOM 686 O HIS A 40 48.951 0.727 8.547 1.00 0.00 O ATOM 687 CB HIS A 40 46.650 2.812 8.275 1.00 0.00 C ATOM 688 CG HIS A 40 45.723 3.143 9.416 1.00 0.00 C ATOM 689 ND1 HIS A 40 46.089 3.996 10.446 1.00 0.00 N ATOM 690 CD2 HIS A 40 44.442 2.739 9.704 1.00 0.00 C ATOM 691 CE1 HIS A 40 45.049 4.078 11.297 1.00 0.00 C ATOM 692 NE2 HIS A 40 44.019 3.330 10.891 1.00 0.00 N ATOM 0 H HIS A 40 48.071 4.774 7.617 1.00 0.00 H new ATOM 0 HA HIS A 40 48.145 2.867 9.819 1.00 0.00 H new ATOM 0 HB2 HIS A 40 46.457 3.476 7.432 1.00 0.00 H new ATOM 0 HB3 HIS A 40 46.467 1.795 7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 40 43.852 2.065 9.101 1.00 0.00 H new ATOM 0 HE1 HIS A 40 45.047 4.675 12.197 1.00 0.00 H new ATOM 0 HE2 HIS A 40 43.116 3.216 11.352 1.00 0.00 H new ATOM 700 N ILE A 41 49.732 2.183 7.086 1.00 0.00 N ATOM 701 CA ILE A 41 50.621 1.175 6.446 1.00 0.00 C ATOM 702 C ILE A 41 51.739 0.885 7.445 1.00 0.00 C ATOM 703 O ILE A 41 52.132 -0.241 7.655 1.00 0.00 O ATOM 704 CB ILE A 41 51.159 1.781 5.115 1.00 0.00 C ATOM 705 CG1 ILE A 41 50.709 0.920 3.929 1.00 0.00 C ATOM 706 CG2 ILE A 41 52.694 1.904 5.078 1.00 0.00 C ATOM 707 CD1 ILE A 41 49.365 1.431 3.407 1.00 0.00 C ATOM 0 H ILE A 41 49.777 3.116 6.675 1.00 0.00 H new ATOM 0 HA ILE A 41 50.110 0.243 6.201 1.00 0.00 H new ATOM 0 HB ILE A 41 50.745 2.787 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 41 51.456 0.956 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 41 50.619 -0.122 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 41 53.002 2.333 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 41 53.027 2.550 5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 41 53.141 0.917 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 41 49.046 0.819 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 41 48.620 1.372 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 41 49.470 2.467 3.084 1.00 0.00 H new ATOM 719 N ALA A 42 52.234 1.924 8.060 1.00 0.00 N ATOM 720 CA ALA A 42 53.323 1.777 9.053 1.00 0.00 C ATOM 721 C ALA A 42 52.815 0.953 10.220 1.00 0.00 C ATOM 722 O ALA A 42 53.386 -0.064 10.563 1.00 0.00 O ATOM 723 CB ALA A 42 53.760 3.162 9.521 1.00 0.00 C ATOM 0 H ALA A 42 51.921 2.883 7.910 1.00 0.00 H new ATOM 0 HA ALA A 42 54.180 1.270 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 42 54.562 3.063 10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 42 54.117 3.739 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 42 52.914 3.676 9.978 1.00 0.00 H new ATOM 729 N ASN A 43 51.710 1.350 10.795 1.00 0.00 N ATOM 730 CA ASN A 43 51.115 0.550 11.902 1.00 0.00 C ATOM 731 C ASN A 43 50.780 -0.851 11.354 1.00 0.00 C ATOM 732 O ASN A 43 50.650 -1.807 12.094 1.00 0.00 O ATOM 733 CB ASN A 43 49.834 1.238 12.394 1.00 0.00 C ATOM 734 CG ASN A 43 50.062 1.825 13.789 1.00 0.00 C ATOM 735 OD1 ASN A 43 49.812 2.991 14.019 1.00 0.00 O ATOM 736 ND2 ASN A 43 50.531 1.059 14.736 1.00 0.00 N ATOM 0 H ASN A 43 51.195 2.194 10.545 1.00 0.00 H new ATOM 0 HA ASN A 43 51.813 0.468 12.735 1.00 0.00 H new ATOM 0 HB2 ASN A 43 49.545 2.028 11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 43 49.013 0.521 12.421 1.00 0.00 H new ATOM 0 HD21 ASN A 43 50.688 1.440 15.669 1.00 0.00 H new ATOM 0 HD22 ASN A 43 50.741 0.080 14.543 1.00 0.00 H new ATOM 743 N GLN A 44 50.649 -0.966 10.047 1.00 0.00 N ATOM 744 CA GLN A 44 50.337 -2.275 9.421 1.00 0.00 C ATOM 745 C GLN A 44 51.514 -3.231 9.615 1.00 0.00 C ATOM 746 O GLN A 44 51.329 -4.394 9.922 1.00 0.00 O ATOM 747 CB GLN A 44 50.068 -2.051 7.927 1.00 0.00 C ATOM 748 CG GLN A 44 48.715 -2.653 7.534 1.00 0.00 C ATOM 749 CD GLN A 44 48.784 -4.178 7.634 1.00 0.00 C ATOM 750 OE1 GLN A 44 48.384 -4.752 8.628 1.00 0.00 O ATOM 751 NE2 GLN A 44 49.278 -4.862 6.640 1.00 0.00 N ATOM 0 H GLN A 44 50.748 -0.192 9.390 1.00 0.00 H new ATOM 0 HA GLN A 44 49.455 -2.716 9.886 1.00 0.00 H new ATOM 0 HB2 GLN A 44 50.077 -0.984 7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 44 50.862 -2.507 7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 44 47.932 -2.271 8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 44 48.455 -2.356 6.518 1.00 0.00 H new ATOM 0 HE21 GLN A 44 49.614 -4.380 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 44 49.329 -5.879 6.696 1.00 0.00 H new ATOM 760 N LEU A 45 52.723 -2.753 9.443 1.00 0.00 N ATOM 761 CA LEU A 45 53.910 -3.647 9.623 1.00 0.00 C ATOM 762 C LEU A 45 54.819 -3.130 10.758 1.00 0.00 C ATOM 763 O LEU A 45 55.974 -3.496 10.852 1.00 0.00 O ATOM 764 CB LEU A 45 54.673 -3.768 8.287 1.00 0.00 C ATOM 765 CG LEU A 45 55.453 -2.494 7.951 1.00 0.00 C ATOM 766 CD1 LEU A 45 56.607 -2.840 6.995 1.00 0.00 C ATOM 767 CD2 LEU A 45 54.518 -1.483 7.290 1.00 0.00 C ATOM 0 H LEU A 45 52.938 -1.789 9.188 1.00 0.00 H new ATOM 0 HA LEU A 45 53.572 -4.641 9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 45 55.362 -4.611 8.339 1.00 0.00 H new ATOM 0 HB3 LEU A 45 53.967 -3.982 7.485 1.00 0.00 H new ATOM 0 HG LEU A 45 55.859 -2.061 8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 45 57.164 -1.934 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 45 57.272 -3.559 7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 45 56.204 -3.272 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 45 55.073 -0.576 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 45 54.109 -1.910 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 45 53.703 -1.240 7.972 1.00 0.00 H new ATOM 779 N GLY A 46 54.293 -2.305 11.631 1.00 0.00 N ATOM 780 CA GLY A 46 55.095 -1.776 12.784 1.00 0.00 C ATOM 781 C GLY A 46 56.473 -1.249 12.345 1.00 0.00 C ATOM 782 O GLY A 46 57.419 -1.287 13.111 1.00 0.00 O ATOM 0 H GLY A 46 53.330 -1.970 11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 46 54.541 -0.974 13.272 1.00 0.00 H new ATOM 0 HA3 GLY A 46 55.229 -2.566 13.523 1.00 0.00 H new ATOM 786 N LEU A 47 56.601 -0.752 11.136 1.00 0.00 N ATOM 787 CA LEU A 47 57.933 -0.221 10.686 1.00 0.00 C ATOM 788 C LEU A 47 57.958 1.313 10.801 1.00 0.00 C ATOM 789 O LEU A 47 57.003 1.935 11.227 1.00 0.00 O ATOM 790 CB LEU A 47 58.238 -0.698 9.233 1.00 0.00 C ATOM 791 CG LEU A 47 57.890 0.357 8.149 1.00 0.00 C ATOM 792 CD1 LEU A 47 58.071 -0.233 6.749 1.00 0.00 C ATOM 793 CD2 LEU A 47 56.447 0.828 8.303 1.00 0.00 C ATOM 0 H LEU A 47 55.851 -0.690 10.447 1.00 0.00 H new ATOM 0 HA LEU A 47 58.717 -0.614 11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 47 59.296 -0.951 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 47 57.677 -1.611 9.033 1.00 0.00 H new ATOM 0 HG LEU A 47 58.565 1.203 8.278 1.00 0.00 H new ATOM 0 HD11 LEU A 47 57.823 0.521 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 47 59.107 -0.547 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 47 57.413 -1.094 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 47 56.222 1.567 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 47 55.773 -0.022 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 47 56.314 1.276 9.288 1.00 0.00 H new ATOM 805 N GLU A 48 59.046 1.912 10.398 1.00 0.00 N ATOM 806 CA GLU A 48 59.163 3.397 10.442 1.00 0.00 C ATOM 807 C GLU A 48 58.711 3.987 9.111 1.00 0.00 C ATOM 808 O GLU A 48 58.695 3.320 8.098 1.00 0.00 O ATOM 809 CB GLU A 48 60.621 3.805 10.671 1.00 0.00 C ATOM 810 CG GLU A 48 61.549 3.040 9.718 1.00 0.00 C ATOM 811 CD GLU A 48 62.257 1.914 10.477 1.00 0.00 C ATOM 812 OE1 GLU A 48 61.648 1.359 11.377 1.00 0.00 O ATOM 813 OE2 GLU A 48 63.395 1.626 10.145 1.00 0.00 O ATOM 0 H GLU A 48 59.868 1.429 10.036 1.00 0.00 H new ATOM 0 HA GLU A 48 58.539 3.768 11.256 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.733 4.878 10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 48 60.904 3.602 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 48 60.974 2.627 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 48 62.285 3.720 9.288 1.00 0.00 H new ATOM 820 N LYS A 49 58.387 5.249 9.096 1.00 0.00 N ATOM 821 CA LYS A 49 57.984 5.891 7.812 1.00 0.00 C ATOM 822 C LYS A 49 59.204 5.960 6.878 1.00 0.00 C ATOM 823 O LYS A 49 59.070 6.227 5.702 1.00 0.00 O ATOM 824 CB LYS A 49 57.458 7.301 8.073 1.00 0.00 C ATOM 825 CG LYS A 49 56.563 7.736 6.907 1.00 0.00 C ATOM 826 CD LYS A 49 56.805 9.215 6.592 1.00 0.00 C ATOM 827 CE LYS A 49 55.625 9.765 5.781 1.00 0.00 C ATOM 828 NZ LYS A 49 54.650 10.449 6.686 1.00 0.00 N ATOM 0 H LYS A 49 58.383 5.862 9.911 1.00 0.00 H new ATOM 0 HA LYS A 49 57.195 5.301 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 49 56.895 7.324 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 49 58.290 7.996 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 49 56.775 7.128 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 49 55.515 7.575 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 49 56.920 9.781 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 49 57.732 9.331 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 49 55.987 10.466 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 49 55.130 8.953 5.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 53.855 10.817 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 54.293 9.770 7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 55.123 11.236 7.175 1.00 0.00 H new ATOM 842 N ASP A 50 60.394 5.721 7.393 1.00 0.00 N ATOM 843 CA ASP A 50 61.613 5.766 6.538 1.00 0.00 C ATOM 844 C ASP A 50 61.744 4.446 5.764 1.00 0.00 C ATOM 845 O ASP A 50 62.324 4.405 4.700 1.00 0.00 O ATOM 846 CB ASP A 50 62.847 5.968 7.430 1.00 0.00 C ATOM 847 CG ASP A 50 63.777 7.008 6.801 1.00 0.00 C ATOM 848 OD1 ASP A 50 63.271 7.979 6.262 1.00 0.00 O ATOM 849 OD2 ASP A 50 64.980 6.817 6.870 1.00 0.00 O ATOM 0 H ASP A 50 60.565 5.497 8.373 1.00 0.00 H new ATOM 0 HA ASP A 50 61.536 6.591 5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 50 62.539 6.295 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 50 63.375 5.023 7.555 1.00 0.00 H new ATOM 854 N VAL A 51 61.189 3.372 6.276 1.00 0.00 N ATOM 855 CA VAL A 51 61.268 2.066 5.553 1.00 0.00 C ATOM 856 C VAL A 51 60.165 2.061 4.511 1.00 0.00 C ATOM 857 O VAL A 51 60.333 1.607 3.395 1.00 0.00 O ATOM 858 CB VAL A 51 61.021 0.902 6.539 1.00 0.00 C ATOM 859 CG1 VAL A 51 60.860 -0.431 5.791 1.00 0.00 C ATOM 860 CG2 VAL A 51 62.184 0.770 7.511 1.00 0.00 C ATOM 0 H VAL A 51 60.686 3.346 7.163 1.00 0.00 H new ATOM 0 HA VAL A 51 62.251 1.943 5.098 1.00 0.00 H new ATOM 0 HB VAL A 51 60.104 1.127 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 51 60.687 -1.233 6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 51 60.012 -0.366 5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 51 61.766 -0.641 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 51 61.993 -0.055 8.198 1.00 0.00 H new ATOM 0 HG22 VAL A 51 63.102 0.575 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 51 62.292 1.695 8.077 1.00 0.00 H new ATOM 870 N VAL A 52 59.028 2.539 4.904 1.00 0.00 N ATOM 871 CA VAL A 52 57.861 2.553 3.993 1.00 0.00 C ATOM 872 C VAL A 52 58.054 3.617 2.891 1.00 0.00 C ATOM 873 O VAL A 52 57.530 3.489 1.798 1.00 0.00 O ATOM 874 CB VAL A 52 56.604 2.797 4.877 1.00 0.00 C ATOM 875 CG1 VAL A 52 55.911 4.136 4.580 1.00 0.00 C ATOM 876 CG2 VAL A 52 55.620 1.642 4.674 1.00 0.00 C ATOM 0 H VAL A 52 58.854 2.927 5.831 1.00 0.00 H new ATOM 0 HA VAL A 52 57.742 1.608 3.463 1.00 0.00 H new ATOM 0 HB VAL A 52 56.936 2.843 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 52 55.042 4.248 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 52 56.607 4.954 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 52 55.591 4.157 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 52 54.736 1.805 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 52 55.328 1.593 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 52 56.095 0.704 4.962 1.00 0.00 H new ATOM 886 N ARG A 53 58.786 4.662 3.177 1.00 0.00 N ATOM 887 CA ARG A 53 58.992 5.734 2.158 1.00 0.00 C ATOM 888 C ARG A 53 60.173 5.390 1.246 1.00 0.00 C ATOM 889 O ARG A 53 60.172 5.742 0.082 1.00 0.00 O ATOM 890 CB ARG A 53 59.249 7.070 2.863 1.00 0.00 C ATOM 891 CG ARG A 53 58.954 8.225 1.901 1.00 0.00 C ATOM 892 CD ARG A 53 60.243 8.647 1.192 1.00 0.00 C ATOM 893 NE ARG A 53 60.924 9.709 1.986 1.00 0.00 N ATOM 894 CZ ARG A 53 62.217 9.665 2.159 1.00 0.00 C ATOM 895 NH1 ARG A 53 62.774 8.591 2.648 1.00 0.00 N ATOM 896 NH2 ARG A 53 62.954 10.695 1.842 1.00 0.00 N ATOM 0 H ARG A 53 59.250 4.820 4.072 1.00 0.00 H new ATOM 0 HA ARG A 53 58.094 5.813 1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 53 58.620 7.152 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 53 60.284 7.121 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 53 58.208 7.919 1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 53 58.535 9.069 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 53 60.903 7.788 1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 53 60.016 9.015 0.192 1.00 0.00 H new ATOM 0 HE ARG A 53 60.380 10.469 2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 53 62.199 7.786 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 53 63.784 8.557 2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 53 62.519 11.535 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 53 63.964 10.660 1.977 1.00 0.00 H new ATOM 910 N VAL A 54 61.177 4.704 1.746 1.00 0.00 N ATOM 911 CA VAL A 54 62.338 4.352 0.870 1.00 0.00 C ATOM 912 C VAL A 54 61.916 3.243 -0.089 1.00 0.00 C ATOM 913 O VAL A 54 62.310 3.236 -1.242 1.00 0.00 O ATOM 914 CB VAL A 54 63.528 3.899 1.727 1.00 0.00 C ATOM 915 CG1 VAL A 54 64.709 3.516 0.827 1.00 0.00 C ATOM 916 CG2 VAL A 54 63.954 5.050 2.640 1.00 0.00 C ATOM 0 H VAL A 54 61.241 4.377 2.710 1.00 0.00 H new ATOM 0 HA VAL A 54 62.646 5.227 0.297 1.00 0.00 H new ATOM 0 HB VAL A 54 63.232 3.035 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 54 65.548 3.196 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 54 64.413 2.701 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 54 65.006 4.378 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 54 64.799 4.735 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 54 64.245 5.907 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 54 63.122 5.329 3.286 1.00 0.00 H new ATOM 926 N TRP A 55 61.106 2.318 0.363 1.00 0.00 N ATOM 927 CA TRP A 55 60.655 1.235 -0.549 1.00 0.00 C ATOM 928 C TRP A 55 59.628 1.826 -1.526 1.00 0.00 C ATOM 929 O TRP A 55 59.603 1.452 -2.684 1.00 0.00 O ATOM 930 CB TRP A 55 60.038 0.064 0.251 1.00 0.00 C ATOM 931 CG TRP A 55 59.289 -0.855 -0.680 1.00 0.00 C ATOM 932 CD1 TRP A 55 59.830 -1.819 -1.478 1.00 0.00 C ATOM 933 CD2 TRP A 55 57.862 -0.865 -0.949 1.00 0.00 C ATOM 934 NE1 TRP A 55 58.810 -2.411 -2.200 1.00 0.00 N ATOM 935 CE2 TRP A 55 57.587 -1.862 -1.907 1.00 0.00 C ATOM 936 CE3 TRP A 55 56.786 -0.114 -0.451 1.00 0.00 C ATOM 937 CZ2 TRP A 55 56.299 -2.105 -2.359 1.00 0.00 C ATOM 938 CZ3 TRP A 55 55.483 -0.356 -0.907 1.00 0.00 C ATOM 939 CH2 TRP A 55 55.239 -1.350 -1.862 1.00 0.00 C ATOM 0 H TRP A 55 60.743 2.270 1.315 1.00 0.00 H new ATOM 0 HA TRP A 55 61.507 0.838 -1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 55 60.823 -0.488 0.768 1.00 0.00 H new ATOM 0 HB3 TRP A 55 59.364 0.450 1.016 1.00 0.00 H new ATOM 0 HD1 TRP A 55 60.877 -2.077 -1.536 1.00 0.00 H new ATOM 0 HE1 TRP A 55 58.950 -3.166 -2.871 1.00 0.00 H new ATOM 0 HE3 TRP A 55 56.963 0.654 0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 56.118 -2.876 -3.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 54.662 0.228 -0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 55 54.233 -1.531 -2.212 1.00 0.00 H new ATOM 950 N PHE A 56 58.773 2.727 -1.080 1.00 0.00 N ATOM 951 CA PHE A 56 57.765 3.286 -2.029 1.00 0.00 C ATOM 952 C PHE A 56 58.356 4.423 -2.855 1.00 0.00 C ATOM 953 O PHE A 56 57.747 4.861 -3.812 1.00 0.00 O ATOM 954 CB PHE A 56 56.485 3.750 -1.308 1.00 0.00 C ATOM 955 CG PHE A 56 55.275 3.373 -2.154 1.00 0.00 C ATOM 956 CD1 PHE A 56 55.164 2.076 -2.671 1.00 0.00 C ATOM 957 CD2 PHE A 56 54.278 4.314 -2.436 1.00 0.00 C ATOM 958 CE1 PHE A 56 54.078 1.718 -3.459 1.00 0.00 C ATOM 959 CE2 PHE A 56 53.180 3.952 -3.231 1.00 0.00 C ATOM 960 CZ PHE A 56 53.085 2.650 -3.741 1.00 0.00 C ATOM 0 H PHE A 56 58.734 3.087 -0.126 1.00 0.00 H new ATOM 0 HA PHE A 56 57.486 2.477 -2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 56 56.417 3.284 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 56 56.512 4.828 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 56 55.931 1.347 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 56 54.354 5.317 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 56 54.004 0.715 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 56 52.409 4.676 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 56 52.240 2.370 -4.353 1.00 0.00 H new ATOM 970 N CYS A 57 59.549 4.868 -2.550 1.00 0.00 N ATOM 971 CA CYS A 57 60.167 5.922 -3.401 1.00 0.00 C ATOM 972 C CYS A 57 60.612 5.231 -4.691 1.00 0.00 C ATOM 973 O CYS A 57 60.569 5.800 -5.764 1.00 0.00 O ATOM 974 CB CYS A 57 61.368 6.552 -2.688 1.00 0.00 C ATOM 975 SG CYS A 57 61.811 8.107 -3.501 1.00 0.00 S ATOM 0 H CYS A 57 60.112 4.551 -1.761 1.00 0.00 H new ATOM 0 HA CYS A 57 59.459 6.725 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 57 61.127 6.733 -1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 57 62.215 5.866 -2.706 1.00 0.00 H new ATOM 0 HG CYS A 57 62.829 8.640 -2.893 1.00 0.00 H new ATOM 981 N ASN A 58 61.003 3.982 -4.585 1.00 0.00 N ATOM 982 CA ASN A 58 61.408 3.212 -5.788 1.00 0.00 C ATOM 983 C ASN A 58 60.165 2.520 -6.372 1.00 0.00 C ATOM 984 O ASN A 58 60.107 2.238 -7.554 1.00 0.00 O ATOM 985 CB ASN A 58 62.448 2.159 -5.399 1.00 0.00 C ATOM 986 CG ASN A 58 63.795 2.840 -5.143 1.00 0.00 C ATOM 987 OD1 ASN A 58 64.624 2.924 -6.027 1.00 0.00 O ATOM 988 ND2 ASN A 58 64.050 3.333 -3.962 1.00 0.00 N ATOM 0 H ASN A 58 61.057 3.466 -3.707 1.00 0.00 H new ATOM 0 HA ASN A 58 61.843 3.883 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 58 62.123 1.625 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 58 62.548 1.420 -6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 58 64.945 3.788 -3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 58 63.355 3.263 -3.219 1.00 0.00 H new ATOM 995 N ARG A 59 59.163 2.255 -5.554 1.00 0.00 N ATOM 996 CA ARG A 59 57.924 1.596 -6.075 1.00 0.00 C ATOM 997 C ARG A 59 57.082 2.631 -6.834 1.00 0.00 C ATOM 998 O ARG A 59 56.273 2.278 -7.671 1.00 0.00 O ATOM 999 CB ARG A 59 57.088 0.989 -4.917 1.00 0.00 C ATOM 1000 CG ARG A 59 56.715 -0.466 -5.235 1.00 0.00 C ATOM 1001 CD ARG A 59 55.970 -0.549 -6.576 1.00 0.00 C ATOM 1002 NE ARG A 59 54.832 0.419 -6.580 1.00 0.00 N ATOM 1003 CZ ARG A 59 54.118 0.600 -7.663 1.00 0.00 C ATOM 1004 NH1 ARG A 59 54.682 0.569 -8.841 1.00 0.00 N ATOM 1005 NH2 ARG A 59 52.836 0.821 -7.563 1.00 0.00 N ATOM 0 H ARG A 59 59.155 2.467 -4.556 1.00 0.00 H new ATOM 0 HA ARG A 59 58.214 0.787 -6.746 1.00 0.00 H new ATOM 0 HB2 ARG A 59 57.657 1.031 -3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 59 56.184 1.578 -4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 59 57.616 -1.078 -5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 59 56.089 -0.870 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 59 56.652 -0.327 -7.396 1.00 0.00 H new ATOM 0 HD3 ARG A 59 55.599 -1.562 -6.735 1.00 0.00 H new ATOM 0 HE ARG A 59 54.610 0.943 -5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 59 55.685 0.403 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 59 54.119 0.711 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 59 52.394 0.852 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 59 52.276 0.963 -8.404 1.00 0.00 H new ATOM 1019 N ARG A 60 57.265 3.906 -6.559 1.00 0.00 N ATOM 1020 CA ARG A 60 56.468 4.943 -7.281 1.00 0.00 C ATOM 1021 C ARG A 60 57.146 5.268 -8.617 1.00 0.00 C ATOM 1022 O ARG A 60 56.489 5.534 -9.606 1.00 0.00 O ATOM 1023 CB ARG A 60 56.347 6.211 -6.420 1.00 0.00 C ATOM 1024 CG ARG A 60 57.733 6.808 -6.146 1.00 0.00 C ATOM 1025 CD ARG A 60 57.594 8.014 -5.215 1.00 0.00 C ATOM 1026 NE ARG A 60 56.738 9.050 -5.860 1.00 0.00 N ATOM 1027 CZ ARG A 60 56.531 10.193 -5.262 1.00 0.00 C ATOM 1028 NH1 ARG A 60 56.334 10.229 -3.971 1.00 0.00 N ATOM 1029 NH2 ARG A 60 56.522 11.301 -5.953 1.00 0.00 N ATOM 0 H ARG A 60 57.927 4.266 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 60 55.466 4.560 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 60 55.722 6.945 -6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 60 55.854 5.972 -5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 60 58.381 6.058 -5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 60 58.202 7.110 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 60 57.155 7.705 -4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 60 58.577 8.428 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 60 56.313 8.866 -6.769 1.00 0.00 H new ATOM 0 HH11 ARG A 60 56.342 9.365 -3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 60 56.172 11.122 -3.504 1.00 0.00 H new ATOM 0 HH21 ARG A 60 56.677 11.275 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 60 56.360 12.193 -5.485 1.00 0.00 H new ATOM 1043 N GLN A 61 58.456 5.240 -8.651 1.00 0.00 N ATOM 1044 CA GLN A 61 59.182 5.539 -9.922 1.00 0.00 C ATOM 1045 C GLN A 61 60.036 4.331 -10.321 1.00 0.00 C ATOM 1046 O GLN A 61 61.248 4.414 -10.415 1.00 0.00 O ATOM 1047 CB GLN A 61 60.076 6.771 -9.730 1.00 0.00 C ATOM 1048 CG GLN A 61 60.952 6.585 -8.489 1.00 0.00 C ATOM 1049 CD GLN A 61 62.311 7.254 -8.715 1.00 0.00 C ATOM 1050 OE1 GLN A 61 62.617 8.256 -8.100 1.00 0.00 O ATOM 1051 NE2 GLN A 61 63.145 6.739 -9.578 1.00 0.00 N ATOM 0 H GLN A 61 59.053 5.023 -7.853 1.00 0.00 H new ATOM 0 HA GLN A 61 58.460 5.744 -10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 61 60.702 6.919 -10.610 1.00 0.00 H new ATOM 0 HB3 GLN A 61 59.462 7.665 -9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 61 60.462 7.019 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 61 61.088 5.523 -8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 61 62.889 5.898 -10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 61 64.052 7.178 -9.735 1.00 0.00 H new