USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 2 THR OG1 : rot 6:sc= 0.804 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= -0.273 (180deg=-0.522) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.72! C(o=-3.3!,f=-2.7!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 21 MET CE :methyl -159:sc= 0 (180deg=-0.64) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= -1.37 (180deg=-1.48) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -4.51! C(o=-4.5!,f=-4.4!) USER MOD Single : A 38 ASN : amide:sc= -3.32 K(o=-3.3,f=-6.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.82 X(o=-0.82,f=-0.65) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -6:sc= -1.46! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -3.27 K(o=-3.3,f=-6.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 71 GLN :FLIP amide:sc= -0.189 F(o=-1.6,f=-0.19) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0427 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.998 -13.020 19.581 1.00 0.00 N ATOM 21 CA THR A 2 51.413 -12.677 19.493 1.00 0.00 C ATOM 22 C THR A 2 52.096 -13.462 18.384 1.00 0.00 C ATOM 23 O THR A 2 51.755 -14.618 18.130 1.00 0.00 O ATOM 24 CB THR A 2 52.122 -13.002 20.816 1.00 0.00 C ATOM 25 OG1 THR A 2 51.157 -13.358 21.797 1.00 0.00 O ATOM 26 CG2 THR A 2 52.913 -11.785 21.297 1.00 0.00 C ATOM 0 HA THR A 2 51.479 -11.610 19.280 1.00 0.00 H new ATOM 0 HB THR A 2 52.808 -13.835 20.658 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.270 -13.404 21.382 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.413 -12.024 22.236 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.657 -11.516 20.548 1.00 0.00 H new ATOM 0 HG23 THR A 2 52.233 -10.947 21.451 1.00 0.00 H new ATOM 34 N VAL A 3 53.102 -12.854 17.763 1.00 0.00 N ATOM 35 CA VAL A 3 53.859 -13.520 16.744 1.00 0.00 C ATOM 36 C VAL A 3 55.289 -13.118 16.882 1.00 0.00 C ATOM 37 O VAL A 3 55.608 -11.947 17.074 1.00 0.00 O ATOM 38 CB VAL A 3 53.390 -13.160 15.362 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.292 -14.118 14.957 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.871 -11.723 15.351 1.00 0.00 C ATOM 0 H VAL A 3 53.402 -11.899 17.958 1.00 0.00 H new ATOM 0 HA VAL A 3 53.728 -14.595 16.872 1.00 0.00 H new ATOM 0 HB VAL A 3 54.217 -13.234 14.655 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.942 -13.868 13.955 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.678 -15.137 14.963 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.463 -14.040 15.661 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.532 -11.466 14.347 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.039 -11.631 16.049 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.671 -11.045 15.648 1.00 0.00 H new ATOM 50 N LYS A 4 56.138 -14.094 16.790 1.00 0.00 N ATOM 51 CA LYS A 4 57.535 -13.863 16.910 1.00 0.00 C ATOM 52 C LYS A 4 58.299 -14.906 16.147 1.00 0.00 C ATOM 53 O LYS A 4 57.971 -16.092 16.186 1.00 0.00 O ATOM 54 CB LYS A 4 57.937 -13.884 18.368 1.00 0.00 C ATOM 55 CG LYS A 4 57.458 -15.189 19.036 1.00 0.00 C ATOM 56 CD LYS A 4 56.244 -14.929 19.954 1.00 0.00 C ATOM 57 CE LYS A 4 54.923 -15.040 19.168 1.00 0.00 C ATOM 58 NZ LYS A 4 53.987 -15.932 19.909 1.00 0.00 N ATOM 0 H LYS A 4 55.879 -15.068 16.630 1.00 0.00 H new ATOM 0 HA LYS A 4 57.769 -12.884 16.493 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.020 -13.799 18.455 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.508 -13.025 18.883 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.190 -15.916 18.270 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.271 -15.624 19.617 1.00 0.00 H new ATOM 0 HD2 LYS A 4 56.244 -15.646 20.775 1.00 0.00 H new ATOM 0 HD3 LYS A 4 56.325 -13.937 20.398 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.479 -14.053 19.039 1.00 0.00 H new ATOM 0 HE3 LYS A 4 55.111 -15.438 18.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.015 -15.766 19.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 54.245 -16.925 19.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 54.047 -15.729 20.927 1.00 0.00 H new ATOM 72 N GLN A 5 59.296 -14.458 15.422 1.00 0.00 N ATOM 73 CA GLN A 5 60.069 -15.375 14.615 1.00 0.00 C ATOM 74 C GLN A 5 61.533 -14.985 14.554 1.00 0.00 C ATOM 75 O GLN A 5 61.898 -13.820 14.664 1.00 0.00 O ATOM 76 CB GLN A 5 59.486 -15.382 13.216 1.00 0.00 C ATOM 77 CG GLN A 5 57.959 -15.316 13.309 1.00 0.00 C ATOM 78 CD GLN A 5 57.345 -15.456 11.920 1.00 0.00 C ATOM 79 OE1 GLN A 5 58.068 -15.926 10.940 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.175 -15.127 11.722 1.00 0.00 N flip ATOM 0 H GLN A 5 59.589 -13.482 15.373 1.00 0.00 H new ATOM 0 HA GLN A 5 60.017 -16.365 15.067 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.865 -14.533 12.646 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.792 -16.284 12.686 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.591 -16.110 13.960 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.654 -14.370 13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.612 -14.760 12.489 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.769 -15.222 10.791 1.00 0.00 H new ATOM 89 N THR A 6 62.361 -15.982 14.360 1.00 0.00 N ATOM 90 CA THR A 6 63.780 -15.785 14.260 1.00 0.00 C ATOM 91 C THR A 6 64.199 -15.829 12.800 1.00 0.00 C ATOM 92 O THR A 6 64.199 -16.894 12.182 1.00 0.00 O ATOM 93 CB THR A 6 64.495 -16.879 15.046 1.00 0.00 C ATOM 94 OG1 THR A 6 63.730 -17.208 16.198 1.00 0.00 O ATOM 95 CG2 THR A 6 65.863 -16.378 15.470 1.00 0.00 C ATOM 0 H THR A 6 62.066 -16.954 14.267 1.00 0.00 H new ATOM 0 HA THR A 6 64.048 -14.813 14.674 1.00 0.00 H new ATOM 0 HB THR A 6 64.609 -17.765 14.422 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.187 -17.912 16.704 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.378 -17.157 16.032 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.447 -16.123 14.586 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.748 -15.494 16.097 1.00 0.00 H new ATOM 103 N VAL A 7 64.540 -14.672 12.242 1.00 0.00 N ATOM 104 CA VAL A 7 64.938 -14.626 10.838 1.00 0.00 C ATOM 105 C VAL A 7 66.459 -14.647 10.698 1.00 0.00 C ATOM 106 O VAL A 7 67.149 -13.729 11.137 1.00 0.00 O ATOM 107 CB VAL A 7 64.373 -13.359 10.171 1.00 0.00 C ATOM 108 CG1 VAL A 7 64.972 -13.178 8.762 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.846 -13.469 10.076 1.00 0.00 C ATOM 0 H VAL A 7 64.550 -13.774 12.725 1.00 0.00 H new ATOM 0 HA VAL A 7 64.534 -15.509 10.342 1.00 0.00 H new ATOM 0 HB VAL A 7 64.640 -12.492 10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 7 64.562 -12.278 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 7 66.056 -13.086 8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 7 64.723 -14.043 8.147 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.445 -12.572 9.604 1.00 0.00 H new ATOM 0 HG22 VAL A 7 62.580 -14.342 9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.426 -13.571 11.076 1.00 0.00 H new ATOM 119 N GLU A 8 66.968 -15.689 10.044 1.00 0.00 N ATOM 120 CA GLU A 8 68.402 -15.802 9.807 1.00 0.00 C ATOM 121 C GLU A 8 68.749 -14.924 8.615 1.00 0.00 C ATOM 122 O GLU A 8 68.311 -15.191 7.496 1.00 0.00 O ATOM 123 CB GLU A 8 68.785 -17.257 9.519 1.00 0.00 C ATOM 124 CG GLU A 8 68.066 -18.183 10.505 1.00 0.00 C ATOM 125 CD GLU A 8 66.620 -18.396 10.067 1.00 0.00 C ATOM 126 OE1 GLU A 8 65.913 -19.113 10.755 1.00 0.00 O ATOM 127 OE2 GLU A 8 66.242 -17.839 9.049 1.00 0.00 O ATOM 0 H GLU A 8 66.413 -16.460 9.672 1.00 0.00 H new ATOM 0 HA GLU A 8 68.954 -15.480 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.515 -17.519 8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.864 -17.384 9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.583 -19.141 10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 8 68.091 -17.751 11.505 1.00 0.00 H new ATOM 134 N ILE A 9 69.484 -13.847 8.859 1.00 0.00 N ATOM 135 CA ILE A 9 69.806 -12.919 7.783 1.00 0.00 C ATOM 136 C ILE A 9 71.127 -13.213 7.109 1.00 0.00 C ATOM 137 O ILE A 9 72.048 -13.782 7.695 1.00 0.00 O ATOM 138 CB ILE A 9 69.893 -11.473 8.302 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.219 -11.334 9.678 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.241 -10.540 7.288 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.333 -10.085 9.727 1.00 0.00 C ATOM 0 H ILE A 9 69.862 -13.597 9.773 1.00 0.00 H new ATOM 0 HA ILE A 9 68.996 -13.043 7.064 1.00 0.00 H new ATOM 0 HB ILE A 9 70.942 -11.203 8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.618 -12.220 9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.980 -11.276 10.456 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.299 -9.513 7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.762 -10.619 6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.196 -10.820 7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.867 -10.008 10.709 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.942 -9.200 9.544 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.559 -10.158 8.963 1.00 0.00 H new ATOM 311 N ALA A 20 62.367 -1.782 7.681 1.00 0.00 N ATOM 312 CA ALA A 20 62.326 -1.890 9.130 1.00 0.00 C ATOM 313 C ALA A 20 61.568 -0.700 9.701 1.00 0.00 C ATOM 314 O ALA A 20 61.103 -0.727 10.840 1.00 0.00 O ATOM 315 CB ALA A 20 63.757 -1.929 9.677 1.00 0.00 C ATOM 0 HA ALA A 20 61.814 -2.807 9.422 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.729 -2.010 10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.282 -2.790 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.279 -1.015 9.395 1.00 0.00 H new ATOM 321 N MET A 21 61.421 0.331 8.875 1.00 0.00 N ATOM 322 CA MET A 21 60.685 1.521 9.270 1.00 0.00 C ATOM 323 C MET A 21 59.228 1.348 8.885 1.00 0.00 C ATOM 324 O MET A 21 58.331 1.751 9.623 1.00 0.00 O ATOM 325 CB MET A 21 61.261 2.776 8.605 1.00 0.00 C ATOM 326 CG MET A 21 62.714 2.984 9.054 1.00 0.00 C ATOM 327 SD MET A 21 63.036 4.752 9.280 1.00 0.00 S ATOM 328 CE MET A 21 62.601 5.283 7.606 1.00 0.00 C ATOM 0 H MET A 21 61.802 0.364 7.930 1.00 0.00 H new ATOM 0 HA MET A 21 60.773 1.649 10.349 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.217 2.676 7.520 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.661 3.647 8.870 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.897 2.449 9.986 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.397 2.572 8.311 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.064 6.248 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.958 4.546 6.886 1.00 0.00 H new ATOM 0 HE3 MET A 21 61.518 5.375 7.523 1.00 0.00 H new ATOM 338 N LYS A 22 58.993 0.724 7.726 1.00 0.00 N ATOM 339 CA LYS A 22 57.624 0.495 7.288 1.00 0.00 C ATOM 340 C LYS A 22 56.827 -0.040 8.469 1.00 0.00 C ATOM 341 O LYS A 22 55.742 0.448 8.762 1.00 0.00 O ATOM 342 CB LYS A 22 57.579 -0.478 6.096 1.00 0.00 C ATOM 343 CG LYS A 22 57.892 -1.913 6.549 1.00 0.00 C ATOM 344 CD LYS A 22 56.602 -2.646 6.928 1.00 0.00 C ATOM 345 CE LYS A 22 56.098 -3.464 5.736 1.00 0.00 C ATOM 346 NZ LYS A 22 56.155 -2.631 4.501 1.00 0.00 N ATOM 0 H LYS A 22 59.715 0.379 7.094 1.00 0.00 H new ATOM 0 HA LYS A 22 57.185 1.432 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.593 -0.446 5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.298 -0.166 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.402 -2.451 5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.570 -1.892 7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 22 56.783 -3.302 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 22 55.842 -1.928 7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.707 -4.359 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.076 -3.797 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 55.734 -3.156 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 55.625 -1.749 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.146 -2.405 4.280 1.00 0.00 H new ATOM 360 N LEU A 23 57.421 -0.992 9.189 1.00 0.00 N ATOM 361 CA LEU A 23 56.823 -1.548 10.385 1.00 0.00 C ATOM 362 C LEU A 23 56.107 -0.439 11.125 1.00 0.00 C ATOM 363 O LEU A 23 54.989 -0.593 11.614 1.00 0.00 O ATOM 364 CB LEU A 23 57.960 -2.056 11.275 1.00 0.00 C ATOM 365 CG LEU A 23 58.243 -3.543 11.046 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.122 -3.749 9.799 1.00 0.00 C ATOM 367 CD2 LEU A 23 58.982 -4.067 12.273 1.00 0.00 C ATOM 0 H LEU A 23 58.329 -1.393 8.953 1.00 0.00 H new ATOM 0 HA LEU A 23 56.127 -2.349 10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.863 -1.479 11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.703 -1.892 12.321 1.00 0.00 H new ATOM 0 HG LEU A 23 57.305 -4.075 10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.309 -4.813 9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.610 -3.351 8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.070 -3.229 9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.199 -5.127 12.142 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.915 -3.518 12.398 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.360 -3.931 13.158 1.00 0.00 H new ATOM 379 N PHE A 24 56.810 0.675 11.211 1.00 0.00 N ATOM 380 CA PHE A 24 56.320 1.846 11.901 1.00 0.00 C ATOM 381 C PHE A 24 55.186 2.506 11.114 1.00 0.00 C ATOM 382 O PHE A 24 54.040 2.571 11.573 1.00 0.00 O ATOM 383 CB PHE A 24 57.474 2.836 12.059 1.00 0.00 C ATOM 384 CG PHE A 24 58.779 2.139 12.436 1.00 0.00 C ATOM 385 CD1 PHE A 24 59.953 2.899 12.479 1.00 0.00 C ATOM 386 CD2 PHE A 24 58.838 0.763 12.748 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.167 2.309 12.824 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.061 0.177 13.086 1.00 0.00 C ATOM 389 CZ PHE A 24 61.222 0.948 13.123 1.00 0.00 C ATOM 0 H PHE A 24 57.738 0.790 10.803 1.00 0.00 H new ATOM 0 HA PHE A 24 55.933 1.551 12.876 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.612 3.384 11.127 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.220 3.569 12.825 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.918 3.952 12.243 1.00 0.00 H new ATOM 0 HD2 PHE A 24 57.939 0.164 12.725 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.066 2.906 12.860 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.107 -0.877 13.319 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.165 0.491 13.384 1.00 0.00 H new ATOM 399 N GLU A 25 55.503 2.968 9.911 1.00 0.00 N ATOM 400 CA GLU A 25 54.506 3.594 9.064 1.00 0.00 C ATOM 401 C GLU A 25 53.373 2.613 8.850 1.00 0.00 C ATOM 402 O GLU A 25 52.210 2.991 8.722 1.00 0.00 O ATOM 403 CB GLU A 25 55.146 3.988 7.730 1.00 0.00 C ATOM 404 CG GLU A 25 54.106 3.935 6.615 1.00 0.00 C ATOM 405 CD GLU A 25 54.596 4.720 5.402 1.00 0.00 C ATOM 406 OE1 GLU A 25 54.436 4.226 4.298 1.00 0.00 O ATOM 407 OE2 GLU A 25 55.123 5.803 5.596 1.00 0.00 O ATOM 0 H GLU A 25 56.438 2.920 9.505 1.00 0.00 H new ATOM 0 HA GLU A 25 54.114 4.496 9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.564 4.992 7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.972 3.314 7.501 1.00 0.00 H new ATOM 0 HG2 GLU A 25 53.915 2.899 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 25 53.162 4.349 6.968 1.00 0.00 H new ATOM 414 N LEU A 26 53.733 1.345 8.846 1.00 0.00 N ATOM 415 CA LEU A 26 52.762 0.287 8.689 1.00 0.00 C ATOM 416 C LEU A 26 52.031 0.103 10.008 1.00 0.00 C ATOM 417 O LEU A 26 50.868 -0.288 10.035 1.00 0.00 O ATOM 418 CB LEU A 26 53.471 -0.995 8.239 1.00 0.00 C ATOM 419 CG LEU A 26 52.635 -2.220 8.574 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.701 -2.456 10.088 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.177 -2.021 8.096 1.00 0.00 C ATOM 0 H LEU A 26 54.696 1.024 8.950 1.00 0.00 H new ATOM 0 HA LEU A 26 52.029 0.540 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.654 -0.957 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.443 -1.068 8.726 1.00 0.00 H new ATOM 0 HG LEU A 26 53.028 -3.097 8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.106 -3.332 10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.737 -2.620 10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.307 -1.584 10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.589 -2.905 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.747 -1.150 8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.166 -1.867 7.017 1.00 0.00 H new ATOM 433 N MET A 27 52.712 0.418 11.106 1.00 0.00 N ATOM 434 CA MET A 27 52.087 0.310 12.415 1.00 0.00 C ATOM 435 C MET A 27 50.782 1.077 12.351 1.00 0.00 C ATOM 436 O MET A 27 49.793 0.717 12.987 1.00 0.00 O ATOM 437 CB MET A 27 53.007 0.866 13.517 1.00 0.00 C ATOM 438 CG MET A 27 52.639 2.314 13.872 1.00 0.00 C ATOM 439 SD MET A 27 51.202 2.320 14.973 1.00 0.00 S ATOM 440 CE MET A 27 51.159 4.102 15.282 1.00 0.00 C ATOM 0 H MET A 27 53.678 0.744 11.115 1.00 0.00 H new ATOM 0 HA MET A 27 51.903 -0.735 12.666 1.00 0.00 H new ATOM 0 HB2 MET A 27 52.932 0.241 14.407 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.044 0.823 13.184 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.483 2.807 14.355 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.418 2.877 12.965 1.00 0.00 H new ATOM 0 HE1 MET A 27 50.331 4.335 15.952 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.097 4.414 15.742 1.00 0.00 H new ATOM 0 HE3 MET A 27 51.023 4.632 14.339 1.00 0.00 H new ATOM 450 N GLN A 28 50.787 2.123 11.528 1.00 0.00 N ATOM 451 CA GLN A 28 49.587 2.916 11.333 1.00 0.00 C ATOM 452 C GLN A 28 48.614 2.082 10.503 1.00 0.00 C ATOM 453 O GLN A 28 47.412 2.347 10.464 1.00 0.00 O ATOM 454 CB GLN A 28 49.948 4.243 10.636 1.00 0.00 C ATOM 455 CG GLN A 28 48.889 4.632 9.598 1.00 0.00 C ATOM 456 CD GLN A 28 47.546 4.870 10.278 1.00 0.00 C ATOM 457 OE1 GLN A 28 47.490 5.469 11.352 1.00 0.00 O ATOM 458 NE2 GLN A 28 46.453 4.433 9.714 1.00 0.00 N ATOM 0 H GLN A 28 51.599 2.434 10.994 1.00 0.00 H new ATOM 0 HA GLN A 28 49.119 3.172 12.284 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.039 5.034 11.380 1.00 0.00 H new ATOM 0 HB3 GLN A 28 50.919 4.149 10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.201 5.532 9.069 1.00 0.00 H new ATOM 0 HG3 GLN A 28 48.792 3.842 8.853 1.00 0.00 H new ATOM 0 HE21 GLN A 28 46.502 3.937 8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 28 45.550 4.588 10.163 1.00 0.00 H new ATOM 467 N GLY A 29 49.160 1.046 9.864 1.00 0.00 N ATOM 468 CA GLY A 29 48.358 0.133 9.049 1.00 0.00 C ATOM 469 C GLY A 29 47.871 -1.034 9.901 1.00 0.00 C ATOM 470 O GLY A 29 46.673 -1.314 9.967 1.00 0.00 O ATOM 0 H GLY A 29 50.154 0.819 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.506 0.664 8.624 1.00 0.00 H new ATOM 0 HA3 GLY A 29 48.951 -0.238 8.213 1.00 0.00 H new ATOM 474 N PHE A 30 48.809 -1.688 10.582 1.00 0.00 N ATOM 475 CA PHE A 30 48.473 -2.800 11.468 1.00 0.00 C ATOM 476 C PHE A 30 48.603 -2.335 12.909 1.00 0.00 C ATOM 477 O PHE A 30 49.478 -1.533 13.230 1.00 0.00 O ATOM 478 CB PHE A 30 49.416 -3.989 11.284 1.00 0.00 C ATOM 479 CG PHE A 30 49.484 -4.455 9.844 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.330 -4.683 9.087 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.732 -4.692 9.284 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.449 -5.147 7.768 1.00 0.00 C ATOM 483 CE2 PHE A 30 50.859 -5.149 7.978 1.00 0.00 C ATOM 484 CZ PHE A 30 49.719 -5.380 7.212 1.00 0.00 C ATOM 0 H PHE A 30 49.804 -1.468 10.538 1.00 0.00 H new ATOM 0 HA PHE A 30 47.458 -3.115 11.227 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.415 -3.712 11.621 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.084 -4.814 11.915 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.355 -4.503 9.515 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.620 -4.518 9.874 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.562 -5.326 7.178 1.00 0.00 H new ATOM 0 HE2 PHE A 30 51.838 -5.325 7.558 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.810 -5.736 6.196 1.00 0.00 H new ATOM 494 N ASP A 31 47.769 -2.871 13.784 1.00 0.00 N ATOM 495 CA ASP A 31 47.844 -2.531 15.187 1.00 0.00 C ATOM 496 C ASP A 31 48.596 -3.648 15.860 1.00 0.00 C ATOM 497 O ASP A 31 48.068 -4.746 16.031 1.00 0.00 O ATOM 498 CB ASP A 31 46.446 -2.383 15.783 1.00 0.00 C ATOM 499 CG ASP A 31 46.541 -2.006 17.257 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.616 -1.381 17.749 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.536 -2.349 17.874 1.00 0.00 O ATOM 0 H ASP A 31 47.037 -3.540 13.545 1.00 0.00 H new ATOM 0 HA ASP A 31 48.351 -1.577 15.331 1.00 0.00 H new ATOM 0 HB2 ASP A 31 45.890 -1.619 15.240 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.895 -3.317 15.673 1.00 0.00 H new ATOM 506 N ALA A 32 49.850 -3.398 16.184 1.00 0.00 N ATOM 507 CA ALA A 32 50.651 -4.420 16.766 1.00 0.00 C ATOM 508 C ALA A 32 51.975 -3.854 17.204 1.00 0.00 C ATOM 509 O ALA A 32 52.458 -2.858 16.666 1.00 0.00 O ATOM 510 CB ALA A 32 50.861 -5.517 15.741 1.00 0.00 C ATOM 0 H ALA A 32 50.319 -2.502 16.050 1.00 0.00 H new ATOM 0 HA ALA A 32 50.148 -4.829 17.642 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.474 -6.307 16.174 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.896 -5.928 15.445 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.365 -5.106 14.866 1.00 0.00 H new ATOM 516 N GLU A 33 52.544 -4.492 18.192 1.00 0.00 N ATOM 517 CA GLU A 33 53.800 -4.073 18.735 1.00 0.00 C ATOM 518 C GLU A 33 54.889 -5.000 18.260 1.00 0.00 C ATOM 519 O GLU A 33 55.204 -6.008 18.890 1.00 0.00 O ATOM 520 CB GLU A 33 53.671 -4.099 20.232 1.00 0.00 C ATOM 521 CG GLU A 33 54.233 -2.808 20.804 1.00 0.00 C ATOM 522 CD GLU A 33 54.283 -2.881 22.327 1.00 0.00 C ATOM 523 OE1 GLU A 33 53.227 -2.852 22.937 1.00 0.00 O ATOM 524 OE2 GLU A 33 55.377 -2.966 22.860 1.00 0.00 O ATOM 0 H GLU A 33 52.146 -5.317 18.641 1.00 0.00 H new ATOM 0 HA GLU A 33 54.062 -3.067 18.407 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.625 -4.212 20.517 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.207 -4.956 20.640 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.233 -2.632 20.409 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.615 -1.965 20.494 1.00 0.00 H new ATOM 531 N VAL A 34 55.438 -4.635 17.131 1.00 0.00 N ATOM 532 CA VAL A 34 56.488 -5.416 16.507 1.00 0.00 C ATOM 533 C VAL A 34 57.812 -5.152 17.190 1.00 0.00 C ATOM 534 O VAL A 34 58.243 -4.005 17.291 1.00 0.00 O ATOM 535 CB VAL A 34 56.631 -5.043 15.031 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.512 -6.084 14.334 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.258 -4.980 14.353 1.00 0.00 C ATOM 0 H VAL A 34 55.176 -3.794 16.616 1.00 0.00 H new ATOM 0 HA VAL A 34 56.219 -6.468 16.599 1.00 0.00 H new ATOM 0 HB VAL A 34 57.093 -4.059 14.955 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.618 -5.824 13.281 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.495 -6.102 14.804 1.00 0.00 H new ATOM 0 HG13 VAL A 34 57.050 -7.068 14.420 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.382 -4.713 13.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.772 -5.953 14.425 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.642 -4.229 14.848 1.00 0.00 H new ATOM 547 N LEU A 35 58.463 -6.206 17.665 1.00 0.00 N ATOM 548 CA LEU A 35 59.739 -6.028 18.332 1.00 0.00 C ATOM 549 C LEU A 35 60.845 -6.827 17.636 1.00 0.00 C ATOM 550 O LEU A 35 60.692 -8.016 17.359 1.00 0.00 O ATOM 551 CB LEU A 35 59.618 -6.451 19.791 1.00 0.00 C ATOM 552 CG LEU A 35 60.999 -6.451 20.454 1.00 0.00 C ATOM 553 CD1 LEU A 35 60.823 -6.387 21.970 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.773 -7.729 20.083 1.00 0.00 C ATOM 0 H LEU A 35 58.136 -7.170 17.602 1.00 0.00 H new ATOM 0 HA LEU A 35 60.010 -4.973 18.283 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.951 -5.771 20.321 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.175 -7.445 19.854 1.00 0.00 H new ATOM 0 HG LEU A 35 61.563 -5.586 20.104 1.00 0.00 H new ATOM 0 HD11 LEU A 35 61.802 -6.387 22.450 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.288 -5.475 22.236 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.254 -7.253 22.307 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.752 -7.713 20.562 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.217 -8.603 20.423 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.899 -7.777 19.001 1.00 0.00 H new ATOM 566 N LEU A 36 61.953 -6.146 17.351 1.00 0.00 N ATOM 567 CA LEU A 36 63.101 -6.754 16.676 1.00 0.00 C ATOM 568 C LEU A 36 64.272 -6.969 17.637 1.00 0.00 C ATOM 569 O LEU A 36 64.677 -6.045 18.330 1.00 0.00 O ATOM 570 CB LEU A 36 63.563 -5.807 15.577 1.00 0.00 C ATOM 571 CG LEU A 36 62.724 -6.017 14.316 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.235 -5.985 14.670 1.00 0.00 C ATOM 573 CD2 LEU A 36 63.026 -4.898 13.323 1.00 0.00 C ATOM 0 H LEU A 36 62.082 -5.160 17.580 1.00 0.00 H new ATOM 0 HA LEU A 36 62.794 -7.722 16.280 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.474 -4.774 15.915 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.616 -5.980 15.356 1.00 0.00 H new ATOM 0 HG LEU A 36 62.969 -6.984 13.876 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.643 -6.135 13.767 1.00 0.00 H new ATOM 0 HD12 LEU A 36 61.014 -6.778 15.385 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.986 -5.019 15.110 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.431 -5.042 12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.778 -3.936 13.772 1.00 0.00 H new ATOM 0 HD23 LEU A 36 64.085 -4.916 13.066 1.00 0.00 H new ATOM 585 N ARG A 37 64.832 -8.179 17.661 1.00 0.00 N ATOM 586 CA ARG A 37 65.966 -8.462 18.519 1.00 0.00 C ATOM 587 C ARG A 37 66.889 -9.476 17.883 1.00 0.00 C ATOM 588 O ARG A 37 66.469 -10.290 17.069 1.00 0.00 O ATOM 589 CB ARG A 37 65.506 -9.024 19.853 1.00 0.00 C ATOM 590 CG ARG A 37 64.661 -10.281 19.627 1.00 0.00 C ATOM 591 CD ARG A 37 63.641 -10.467 20.763 1.00 0.00 C ATOM 592 NE ARG A 37 63.668 -11.845 21.240 1.00 0.00 N ATOM 593 CZ ARG A 37 63.104 -12.182 22.395 1.00 0.00 C ATOM 594 NH1 ARG A 37 63.142 -13.421 22.803 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.510 -11.275 23.121 1.00 0.00 N ATOM 0 H ARG A 37 64.516 -8.969 17.098 1.00 0.00 H new ATOM 0 HA ARG A 37 66.494 -7.520 18.669 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.370 -9.263 20.474 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.924 -8.276 20.391 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.139 -10.207 18.673 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.310 -11.155 19.569 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.870 -9.786 21.583 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.641 -10.216 20.409 1.00 0.00 H new ATOM 0 HE ARG A 37 64.127 -12.562 20.678 1.00 0.00 H new ATOM 0 HH11 ARG A 37 63.605 -14.131 22.235 1.00 0.00 H new ATOM 0 HH12 ARG A 37 62.709 -13.679 23.690 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.478 -10.307 22.802 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.077 -11.534 24.007 1.00 0.00 H new ATOM 609 N ASN A 38 68.139 -9.445 18.301 1.00 0.00 N ATOM 610 CA ASN A 38 69.116 -10.395 17.804 1.00 0.00 C ATOM 611 C ASN A 38 69.298 -11.491 18.825 1.00 0.00 C ATOM 612 O ASN A 38 69.449 -11.207 20.019 1.00 0.00 O ATOM 613 CB ASN A 38 70.486 -9.766 17.632 1.00 0.00 C ATOM 614 CG ASN A 38 70.494 -8.649 16.622 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.746 -8.665 15.649 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.331 -7.673 16.805 1.00 0.00 N ATOM 0 H ASN A 38 68.501 -8.776 18.980 1.00 0.00 H new ATOM 0 HA ASN A 38 68.746 -10.758 16.845 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.828 -9.383 18.593 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.197 -10.533 17.324 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.373 -6.905 16.135 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.946 -7.674 17.619 1.00 0.00 H new ATOM 623 N ASP A 39 69.345 -12.729 18.363 1.00 0.00 N ATOM 624 CA ASP A 39 69.569 -13.833 19.292 1.00 0.00 C ATOM 625 C ASP A 39 70.881 -13.592 20.025 1.00 0.00 C ATOM 626 O ASP A 39 71.265 -14.349 20.917 1.00 0.00 O ATOM 627 CB ASP A 39 69.621 -15.177 18.569 1.00 0.00 C ATOM 628 CG ASP A 39 69.699 -16.310 19.586 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.692 -17.019 19.579 1.00 0.00 O ATOM 630 OD2 ASP A 39 68.765 -16.452 20.357 1.00 0.00 O ATOM 0 H ASP A 39 69.236 -12.994 17.384 1.00 0.00 H new ATOM 0 HA ASP A 39 68.737 -13.871 19.995 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.736 -15.298 17.944 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.486 -15.211 17.907 1.00 0.00 H new ATOM 635 N GLU A 40 71.553 -12.511 19.639 1.00 0.00 N ATOM 636 CA GLU A 40 72.815 -12.131 20.251 1.00 0.00 C ATOM 637 C GLU A 40 72.555 -11.552 21.630 1.00 0.00 C ATOM 638 O GLU A 40 73.448 -11.498 22.477 1.00 0.00 O ATOM 639 CB GLU A 40 73.492 -11.054 19.398 1.00 0.00 C ATOM 640 CG GLU A 40 74.248 -11.691 18.232 1.00 0.00 C ATOM 641 CD GLU A 40 75.427 -12.509 18.750 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.561 -13.648 18.334 1.00 0.00 O ATOM 643 OE2 GLU A 40 76.179 -11.983 19.555 1.00 0.00 O ATOM 0 H GLU A 40 71.239 -11.882 18.900 1.00 0.00 H new ATOM 0 HA GLU A 40 73.454 -13.011 20.325 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.743 -10.359 19.017 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.181 -10.475 20.013 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.576 -12.331 17.660 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.604 -10.916 17.554 1.00 0.00 H new ATOM 650 N GLY A 41 71.326 -11.095 21.834 1.00 0.00 N ATOM 651 CA GLY A 41 70.944 -10.489 23.096 1.00 0.00 C ATOM 652 C GLY A 41 70.550 -9.043 22.855 1.00 0.00 C ATOM 653 O GLY A 41 70.210 -8.314 23.788 1.00 0.00 O ATOM 0 H GLY A 41 70.579 -11.134 21.140 1.00 0.00 H new ATOM 0 HA2 GLY A 41 70.112 -11.036 23.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.772 -10.540 23.803 1.00 0.00 H new ATOM 657 N THR A 42 70.584 -8.636 21.585 1.00 0.00 N ATOM 658 CA THR A 42 70.209 -7.267 21.234 1.00 0.00 C ATOM 659 C THR A 42 68.700 -7.200 21.042 1.00 0.00 C ATOM 660 O THR A 42 68.107 -8.105 20.464 1.00 0.00 O ATOM 661 CB THR A 42 70.950 -6.800 19.962 1.00 0.00 C ATOM 662 OG1 THR A 42 71.936 -5.845 20.326 1.00 0.00 O ATOM 663 CG2 THR A 42 69.973 -6.158 18.969 1.00 0.00 C ATOM 0 H THR A 42 70.861 -9.222 20.797 1.00 0.00 H new ATOM 0 HA THR A 42 70.499 -6.595 22.042 1.00 0.00 H new ATOM 0 HB THR A 42 71.413 -7.665 19.488 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.412 -5.545 19.524 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.516 -5.836 18.080 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.212 -6.885 18.686 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.496 -5.296 19.434 1.00 0.00 H new ATOM 671 N GLU A 43 68.086 -6.132 21.538 1.00 0.00 N ATOM 672 CA GLU A 43 66.637 -5.975 21.425 1.00 0.00 C ATOM 673 C GLU A 43 66.276 -4.625 20.826 1.00 0.00 C ATOM 674 O GLU A 43 66.792 -3.590 21.248 1.00 0.00 O ATOM 675 CB GLU A 43 65.988 -6.113 22.804 1.00 0.00 C ATOM 676 CG GLU A 43 66.786 -5.308 23.832 1.00 0.00 C ATOM 677 CD GLU A 43 66.176 -5.485 25.218 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.285 -4.567 26.013 1.00 0.00 O ATOM 679 OE2 GLU A 43 65.607 -6.536 25.463 1.00 0.00 O ATOM 0 H GLU A 43 68.561 -5.368 22.018 1.00 0.00 H new ATOM 0 HA GLU A 43 66.264 -6.757 20.763 1.00 0.00 H new ATOM 0 HB2 GLU A 43 64.958 -5.757 22.769 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.953 -7.162 23.097 1.00 0.00 H new ATOM 0 HG2 GLU A 43 67.825 -5.638 23.838 1.00 0.00 H new ATOM 0 HG3 GLU A 43 66.788 -4.253 23.558 1.00 0.00 H new ATOM 686 N ALA A 44 65.392 -4.643 19.828 1.00 0.00 N ATOM 687 CA ALA A 44 64.980 -3.415 19.171 1.00 0.00 C ATOM 688 C ALA A 44 63.465 -3.335 19.021 1.00 0.00 C ATOM 689 O ALA A 44 62.844 -4.202 18.407 1.00 0.00 O ATOM 690 CB ALA A 44 65.612 -3.354 17.783 1.00 0.00 C ATOM 0 H ALA A 44 64.954 -5.489 19.464 1.00 0.00 H new ATOM 0 HA ALA A 44 65.309 -2.579 19.788 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.307 -2.434 17.284 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.698 -3.373 17.876 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.284 -4.211 17.196 1.00 0.00 H new ATOM 696 N GLU A 45 62.885 -2.268 19.550 1.00 0.00 N ATOM 697 CA GLU A 45 61.450 -2.055 19.434 1.00 0.00 C ATOM 698 C GLU A 45 61.154 -1.397 18.098 1.00 0.00 C ATOM 699 O GLU A 45 61.532 -0.247 17.875 1.00 0.00 O ATOM 700 CB GLU A 45 60.957 -1.140 20.559 1.00 0.00 C ATOM 701 CG GLU A 45 59.970 -1.892 21.451 1.00 0.00 C ATOM 702 CD GLU A 45 60.693 -2.997 22.212 1.00 0.00 C ATOM 703 OE1 GLU A 45 61.732 -3.431 21.742 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.197 -3.394 23.254 1.00 0.00 O ATOM 0 H GLU A 45 63.383 -1.539 20.061 1.00 0.00 H new ATOM 0 HA GLU A 45 60.940 -3.016 19.505 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.803 -0.791 21.152 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.478 -0.257 20.137 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.502 -1.202 22.153 1.00 0.00 H new ATOM 0 HG3 GLU A 45 59.171 -2.319 20.844 1.00 0.00 H new ATOM 711 N ALA A 46 60.486 -2.119 17.212 1.00 0.00 N ATOM 712 CA ALA A 46 60.157 -1.576 15.904 1.00 0.00 C ATOM 713 C ALA A 46 59.968 -0.061 15.968 1.00 0.00 C ATOM 714 O ALA A 46 60.722 0.691 15.363 1.00 0.00 O ATOM 715 CB ALA A 46 58.877 -2.231 15.392 1.00 0.00 C ATOM 0 H ALA A 46 60.164 -3.073 17.372 1.00 0.00 H new ATOM 0 HA ALA A 46 60.982 -1.788 15.224 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.628 -1.826 14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.026 -3.308 15.312 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.062 -2.028 16.086 1.00 0.00 H new ATOM 721 N ASN A 47 58.953 0.374 16.701 1.00 0.00 N ATOM 722 CA ASN A 47 58.647 1.800 16.832 1.00 0.00 C ATOM 723 C ASN A 47 59.877 2.669 17.141 1.00 0.00 C ATOM 724 O ASN A 47 59.722 3.809 17.579 1.00 0.00 O ATOM 725 CB ASN A 47 57.607 1.996 17.936 1.00 0.00 C ATOM 726 CG ASN A 47 57.034 3.408 17.866 1.00 0.00 C ATOM 727 OD1 ASN A 47 56.317 3.742 16.923 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.309 4.261 18.813 1.00 0.00 N ATOM 0 H ASN A 47 58.323 -0.239 17.218 1.00 0.00 H new ATOM 0 HA ASN A 47 58.265 2.126 15.864 1.00 0.00 H new ATOM 0 HB2 ASN A 47 56.807 1.264 17.828 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.063 1.827 18.911 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.930 5.207 18.773 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.903 3.982 19.594 1.00 0.00 H new ATOM 735 N SER A 48 61.090 2.162 16.909 1.00 0.00 N ATOM 736 CA SER A 48 62.288 2.954 17.173 1.00 0.00 C ATOM 737 C SER A 48 63.341 2.720 16.089 1.00 0.00 C ATOM 738 O SER A 48 63.620 1.580 15.719 1.00 0.00 O ATOM 739 CB SER A 48 62.860 2.585 18.542 1.00 0.00 C ATOM 740 OG SER A 48 62.429 3.540 19.503 1.00 0.00 O ATOM 0 H SER A 48 61.265 1.225 16.546 1.00 0.00 H new ATOM 0 HA SER A 48 62.015 4.009 17.166 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.530 1.587 18.830 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.949 2.560 18.500 1.00 0.00 H new ATOM 0 HG SER A 48 62.792 3.306 20.383 1.00 0.00 H new ATOM 746 N VAL A 49 63.927 3.807 15.589 1.00 0.00 N ATOM 747 CA VAL A 49 64.955 3.702 14.556 1.00 0.00 C ATOM 748 C VAL A 49 66.266 3.251 15.175 1.00 0.00 C ATOM 749 O VAL A 49 67.013 2.478 14.575 1.00 0.00 O ATOM 750 CB VAL A 49 65.145 5.049 13.858 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.831 4.836 12.507 1.00 0.00 C ATOM 752 CG2 VAL A 49 63.779 5.702 13.639 1.00 0.00 C ATOM 0 H VAL A 49 63.710 4.761 15.879 1.00 0.00 H new ATOM 0 HA VAL A 49 64.636 2.966 13.818 1.00 0.00 H new ATOM 0 HB VAL A 49 65.765 5.696 14.479 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.965 5.798 12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 49 66.804 4.369 12.662 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.214 4.190 11.883 1.00 0.00 H new ATOM 0 HG21 VAL A 49 63.911 6.663 13.141 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.161 5.053 13.018 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.291 5.856 14.601 1.00 0.00 H new ATOM 762 N ILE A 50 66.525 3.704 16.395 1.00 0.00 N ATOM 763 CA ILE A 50 67.714 3.312 17.097 1.00 0.00 C ATOM 764 C ILE A 50 67.715 1.799 17.162 1.00 0.00 C ATOM 765 O ILE A 50 68.740 1.140 16.989 1.00 0.00 O ATOM 766 CB ILE A 50 67.649 3.945 18.490 1.00 0.00 C ATOM 767 CG1 ILE A 50 68.901 4.786 18.744 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.496 2.881 19.567 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.130 3.880 18.881 1.00 0.00 C ATOM 0 H ILE A 50 65.919 4.344 16.909 1.00 0.00 H new ATOM 0 HA ILE A 50 68.631 3.641 16.609 1.00 0.00 H new ATOM 0 HB ILE A 50 66.773 4.593 18.531 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.048 5.489 17.924 1.00 0.00 H new ATOM 0 HG13 ILE A 50 68.773 5.377 19.651 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.452 3.358 20.546 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.578 2.319 19.396 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.348 2.202 19.532 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.014 4.491 19.061 1.00 0.00 H new ATOM 0 HD12 ILE A 50 69.986 3.195 19.716 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.265 3.309 17.963 1.00 0.00 H new ATOM 781 N ALA A 51 66.522 1.272 17.380 1.00 0.00 N ATOM 782 CA ALA A 51 66.314 -0.153 17.435 1.00 0.00 C ATOM 783 C ALA A 51 66.891 -0.781 16.175 1.00 0.00 C ATOM 784 O ALA A 51 67.797 -1.612 16.233 1.00 0.00 O ATOM 785 CB ALA A 51 64.805 -0.424 17.524 1.00 0.00 C ATOM 0 H ALA A 51 65.676 1.824 17.523 1.00 0.00 H new ATOM 0 HA ALA A 51 66.808 -0.583 18.306 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.630 -1.499 17.566 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.404 0.045 18.423 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.309 -0.010 16.646 1.00 0.00 H new ATOM 791 N LEU A 52 66.366 -0.347 15.036 1.00 0.00 N ATOM 792 CA LEU A 52 66.821 -0.834 13.749 1.00 0.00 C ATOM 793 C LEU A 52 68.329 -0.675 13.625 1.00 0.00 C ATOM 794 O LEU A 52 69.051 -1.646 13.401 1.00 0.00 O ATOM 795 CB LEU A 52 66.141 -0.040 12.632 1.00 0.00 C ATOM 796 CG LEU A 52 64.627 0.061 12.868 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.013 0.972 11.794 1.00 0.00 C ATOM 798 CD2 LEU A 52 63.974 -1.331 12.793 1.00 0.00 C ATOM 0 H LEU A 52 65.620 0.346 14.983 1.00 0.00 H new ATOM 0 HA LEU A 52 66.565 -1.890 13.665 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.571 0.960 12.579 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.331 -0.521 11.672 1.00 0.00 H new ATOM 0 HG LEU A 52 64.449 0.476 13.860 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.938 1.049 11.954 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.462 1.963 11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.204 0.550 10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.901 -1.239 12.963 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.150 -1.763 11.808 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.408 -1.978 13.555 1.00 0.00 H new ATOM 810 N LEU A 53 68.798 0.558 13.771 1.00 0.00 N ATOM 811 CA LEU A 53 70.226 0.834 13.673 1.00 0.00 C ATOM 812 C LEU A 53 71.016 -0.204 14.452 1.00 0.00 C ATOM 813 O LEU A 53 71.989 -0.772 13.957 1.00 0.00 O ATOM 814 CB LEU A 53 70.529 2.220 14.239 1.00 0.00 C ATOM 815 CG LEU A 53 71.945 2.647 13.830 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.000 2.918 12.319 1.00 0.00 C ATOM 817 CD2 LEU A 53 72.332 3.916 14.598 1.00 0.00 C ATOM 0 H LEU A 53 68.217 1.376 13.956 1.00 0.00 H new ATOM 0 HA LEU A 53 70.515 0.795 12.623 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.800 2.942 13.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.442 2.207 15.325 1.00 0.00 H new ATOM 0 HG LEU A 53 72.645 1.846 14.068 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.009 3.220 12.040 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.730 2.012 11.777 1.00 0.00 H new ATOM 0 HD13 LEU A 53 71.300 3.714 12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 53 73.338 4.223 14.310 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.628 4.713 14.361 1.00 0.00 H new ATOM 0 HD23 LEU A 53 72.306 3.715 15.669 1.00 0.00 H new ATOM 829 N MET A 54 70.586 -0.432 15.682 1.00 0.00 N ATOM 830 CA MET A 54 71.248 -1.392 16.553 1.00 0.00 C ATOM 831 C MET A 54 71.488 -2.722 15.838 1.00 0.00 C ATOM 832 O MET A 54 72.618 -3.205 15.784 1.00 0.00 O ATOM 833 CB MET A 54 70.400 -1.625 17.809 1.00 0.00 C ATOM 834 CG MET A 54 71.297 -2.097 18.956 1.00 0.00 C ATOM 835 SD MET A 54 72.222 -0.688 19.615 1.00 0.00 S ATOM 836 CE MET A 54 73.622 -1.622 20.279 1.00 0.00 C ATOM 0 H MET A 54 69.781 0.034 16.101 1.00 0.00 H new ATOM 0 HA MET A 54 72.217 -0.979 16.834 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.888 -0.705 18.090 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.630 -2.369 17.607 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.693 -2.549 19.742 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.985 -2.864 18.602 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.331 -0.935 20.741 1.00 0.00 H new ATOM 0 HE2 MET A 54 73.265 -2.332 21.025 1.00 0.00 H new ATOM 0 HE3 MET A 54 74.115 -2.163 19.471 1.00 0.00 H new ATOM 846 N LEU A 55 70.424 -3.319 15.298 1.00 0.00 N ATOM 847 CA LEU A 55 70.562 -4.601 14.605 1.00 0.00 C ATOM 848 C LEU A 55 70.903 -4.394 13.134 1.00 0.00 C ATOM 849 O LEU A 55 71.274 -5.337 12.439 1.00 0.00 O ATOM 850 CB LEU A 55 69.286 -5.455 14.726 1.00 0.00 C ATOM 851 CG LEU A 55 68.291 -4.837 15.725 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.190 -4.119 14.938 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.664 -5.937 16.604 1.00 0.00 C ATOM 0 H LEU A 55 69.475 -2.945 15.325 1.00 0.00 H new ATOM 0 HA LEU A 55 71.380 -5.136 15.088 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.813 -5.546 13.748 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.549 -6.462 15.048 1.00 0.00 H new ATOM 0 HG LEU A 55 68.814 -4.132 16.371 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.477 -3.675 15.633 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.634 -3.335 14.324 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.675 -4.835 14.297 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.962 -5.486 17.306 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.136 -6.651 15.972 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.449 -6.453 17.157 1.00 0.00 H new ATOM 865 N ASP A 56 70.788 -3.160 12.664 1.00 0.00 N ATOM 866 CA ASP A 56 71.106 -2.862 11.277 1.00 0.00 C ATOM 867 C ASP A 56 72.498 -3.379 10.993 1.00 0.00 C ATOM 868 O ASP A 56 72.784 -3.892 9.911 1.00 0.00 O ATOM 869 CB ASP A 56 71.044 -1.356 11.022 1.00 0.00 C ATOM 870 CG ASP A 56 71.325 -1.066 9.552 1.00 0.00 C ATOM 871 OD1 ASP A 56 70.506 -0.409 8.930 1.00 0.00 O ATOM 872 OD2 ASP A 56 72.356 -1.503 9.069 1.00 0.00 O ATOM 0 H ASP A 56 70.481 -2.359 13.215 1.00 0.00 H new ATOM 0 HA ASP A 56 70.381 -3.342 10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 56 70.061 -0.972 11.296 1.00 0.00 H new ATOM 0 HB3 ASP A 56 71.773 -0.842 11.649 1.00 0.00 H new ATOM 877 N SER A 57 73.352 -3.265 12.001 1.00 0.00 N ATOM 878 CA SER A 57 74.710 -3.751 11.886 1.00 0.00 C ATOM 879 C SER A 57 74.684 -5.269 11.782 1.00 0.00 C ATOM 880 O SER A 57 75.701 -5.890 11.477 1.00 0.00 O ATOM 881 CB SER A 57 75.528 -3.328 13.106 1.00 0.00 C ATOM 882 OG SER A 57 76.767 -4.026 13.105 1.00 0.00 O ATOM 0 H SER A 57 73.125 -2.842 12.901 1.00 0.00 H new ATOM 0 HA SER A 57 75.173 -3.327 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.703 -2.252 13.086 1.00 0.00 H new ATOM 0 HB3 SER A 57 74.976 -3.544 14.021 1.00 0.00 H new ATOM 0 HG SER A 57 76.773 -4.681 12.376 1.00 0.00 H new ATOM 888 N ALA A 58 73.499 -5.854 12.033 1.00 0.00 N ATOM 889 CA ALA A 58 73.327 -7.316 11.957 1.00 0.00 C ATOM 890 C ALA A 58 74.521 -7.949 11.244 1.00 0.00 C ATOM 891 O ALA A 58 75.580 -8.151 11.837 1.00 0.00 O ATOM 892 CB ALA A 58 72.041 -7.648 11.192 1.00 0.00 C ATOM 0 H ALA A 58 72.654 -5.343 12.288 1.00 0.00 H new ATOM 0 HA ALA A 58 73.262 -7.716 12.969 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.918 -8.730 11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.187 -7.211 11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.102 -7.240 10.183 1.00 0.00 H new ATOM 898 N LYS A 59 74.349 -8.215 9.957 1.00 0.00 N ATOM 899 CA LYS A 59 75.420 -8.773 9.142 1.00 0.00 C ATOM 900 C LYS A 59 75.896 -10.142 9.624 1.00 0.00 C ATOM 901 O LYS A 59 77.040 -10.289 10.054 1.00 0.00 O ATOM 902 CB LYS A 59 76.604 -7.806 9.127 1.00 0.00 C ATOM 903 CG LYS A 59 77.536 -8.154 7.965 1.00 0.00 C ATOM 904 CD LYS A 59 78.651 -7.112 7.880 1.00 0.00 C ATOM 905 CE LYS A 59 79.757 -7.619 6.953 1.00 0.00 C ATOM 906 NZ LYS A 59 80.656 -6.488 6.586 1.00 0.00 N ATOM 0 H LYS A 59 73.477 -8.053 9.454 1.00 0.00 H new ATOM 0 HA LYS A 59 75.014 -8.911 8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.248 -6.781 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.146 -7.864 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.961 -9.147 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.976 -8.181 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.253 -6.169 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.056 -6.916 8.873 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.328 -8.406 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.321 -8.057 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.408 -6.833 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.106 -5.752 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 81.082 -6.089 7.447 1.00 0.00 H new ATOM 920 N GLY A 60 75.036 -11.149 9.508 1.00 0.00 N ATOM 921 CA GLY A 60 75.414 -12.510 9.894 1.00 0.00 C ATOM 922 C GLY A 60 74.719 -12.967 11.168 1.00 0.00 C ATOM 923 O GLY A 60 74.851 -14.123 11.569 1.00 0.00 O ATOM 0 H GLY A 60 74.084 -11.054 9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 60 75.168 -13.196 9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.494 -12.558 10.035 1.00 0.00 H new ATOM 927 N ARG A 61 73.981 -12.071 11.803 1.00 0.00 N ATOM 928 CA ARG A 61 73.282 -12.420 13.026 1.00 0.00 C ATOM 929 C ARG A 61 71.881 -12.899 12.702 1.00 0.00 C ATOM 930 O ARG A 61 71.425 -12.794 11.564 1.00 0.00 O ATOM 931 CB ARG A 61 73.210 -11.202 13.947 1.00 0.00 C ATOM 932 CG ARG A 61 74.494 -10.392 13.795 1.00 0.00 C ATOM 933 CD ARG A 61 74.511 -9.239 14.802 1.00 0.00 C ATOM 934 NE ARG A 61 75.330 -8.143 14.298 1.00 0.00 N ATOM 935 CZ ARG A 61 75.260 -6.929 14.834 1.00 0.00 C ATOM 936 NH1 ARG A 61 76.002 -5.964 14.362 1.00 0.00 N ATOM 937 NH2 ARG A 61 74.452 -6.701 15.832 1.00 0.00 N ATOM 0 H ARG A 61 73.852 -11.107 11.495 1.00 0.00 H new ATOM 0 HA ARG A 61 73.825 -13.220 13.529 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.345 -10.589 13.694 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.084 -11.519 14.982 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.360 -11.035 13.952 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.568 -10.000 12.781 1.00 0.00 H new ATOM 0 HD2 ARG A 61 73.495 -8.890 14.983 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.904 -9.587 15.758 1.00 0.00 H new ATOM 0 HE ARG A 61 75.968 -8.311 13.520 1.00 0.00 H new ATOM 0 HH11 ARG A 61 76.635 -6.142 13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 61 75.949 -5.032 14.773 1.00 0.00 H new ATOM 0 HH21 ARG A 61 73.873 -7.455 16.202 1.00 0.00 H new ATOM 0 HH22 ARG A 61 74.399 -5.769 16.243 1.00 0.00 H new ATOM 951 N GLN A 62 71.194 -13.398 13.714 1.00 0.00 N ATOM 952 CA GLN A 62 69.831 -13.860 13.538 1.00 0.00 C ATOM 953 C GLN A 62 68.935 -12.986 14.386 1.00 0.00 C ATOM 954 O GLN A 62 69.236 -12.717 15.550 1.00 0.00 O ATOM 955 CB GLN A 62 69.693 -15.325 13.956 1.00 0.00 C ATOM 956 CG GLN A 62 69.774 -15.418 15.473 1.00 0.00 C ATOM 957 CD GLN A 62 70.125 -16.840 15.900 1.00 0.00 C ATOM 958 OE1 GLN A 62 69.578 -17.347 16.879 1.00 0.00 O ATOM 959 NE2 GLN A 62 71.010 -17.518 15.221 1.00 0.00 N ATOM 0 H GLN A 62 71.557 -13.493 14.663 1.00 0.00 H new ATOM 0 HA GLN A 62 69.548 -13.793 12.487 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.744 -15.729 13.604 1.00 0.00 H new ATOM 0 HB3 GLN A 62 70.482 -15.923 13.500 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.526 -14.723 15.847 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.821 -15.124 15.913 1.00 0.00 H new ATOM 0 HE21 GLN A 62 71.463 -17.097 14.410 1.00 0.00 H new ATOM 0 HE22 GLN A 62 71.249 -18.469 15.502 1.00 0.00 H new ATOM 968 N ILE A 63 67.857 -12.521 13.800 1.00 0.00 N ATOM 969 CA ILE A 63 66.949 -11.653 14.502 1.00 0.00 C ATOM 970 C ILE A 63 65.721 -12.410 14.927 1.00 0.00 C ATOM 971 O ILE A 63 65.275 -13.331 14.250 1.00 0.00 O ATOM 972 CB ILE A 63 66.546 -10.518 13.584 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.761 -9.470 14.367 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.681 -11.073 12.470 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.723 -8.429 14.930 1.00 0.00 C ATOM 0 H ILE A 63 67.589 -12.731 12.838 1.00 0.00 H new ATOM 0 HA ILE A 63 67.444 -11.262 15.391 1.00 0.00 H new ATOM 0 HB ILE A 63 67.438 -10.051 13.166 1.00 0.00 H new ATOM 0 HG12 ILE A 63 65.028 -8.990 13.719 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.208 -9.945 15.177 1.00 0.00 H new ATOM 0 HG21 ILE A 63 65.385 -10.264 11.802 1.00 0.00 H new ATOM 0 HG22 ILE A 63 66.244 -11.819 11.909 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.791 -11.536 12.897 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.162 -7.680 15.489 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.439 -8.916 15.592 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.256 -7.946 14.111 1.00 0.00 H new ATOM 987 N GLU A 64 65.171 -11.981 16.039 1.00 0.00 N ATOM 988 CA GLU A 64 63.967 -12.577 16.572 1.00 0.00 C ATOM 989 C GLU A 64 62.865 -11.538 16.508 1.00 0.00 C ATOM 990 O GLU A 64 62.840 -10.589 17.289 1.00 0.00 O ATOM 991 CB GLU A 64 64.209 -13.050 18.014 1.00 0.00 C ATOM 992 CG GLU A 64 63.757 -14.503 18.183 1.00 0.00 C ATOM 993 CD GLU A 64 62.234 -14.578 18.206 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.659 -14.872 17.172 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.666 -14.340 19.259 1.00 0.00 O ATOM 0 H GLU A 64 65.543 -11.213 16.598 1.00 0.00 H new ATOM 0 HA GLU A 64 63.676 -13.451 15.989 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.267 -12.961 18.260 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.665 -12.410 18.709 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.147 -15.111 17.366 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.163 -14.913 19.108 1.00 0.00 H new ATOM 1002 N VAL A 65 61.972 -11.699 15.549 1.00 0.00 N ATOM 1003 CA VAL A 65 60.903 -10.749 15.381 1.00 0.00 C ATOM 1004 C VAL A 65 59.767 -11.074 16.315 1.00 0.00 C ATOM 1005 O VAL A 65 59.414 -12.236 16.461 1.00 0.00 O ATOM 1006 CB VAL A 65 60.396 -10.823 13.944 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.634 -12.134 13.733 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.467 -9.642 13.681 1.00 0.00 C ATOM 0 H VAL A 65 61.970 -12.472 14.884 1.00 0.00 H new ATOM 0 HA VAL A 65 61.275 -9.749 15.603 1.00 0.00 H new ATOM 0 HB VAL A 65 61.240 -10.786 13.255 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.273 -12.184 12.706 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.299 -12.976 13.925 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.787 -12.177 14.418 1.00 0.00 H new ATOM 0 HG21 VAL A 65 59.101 -9.689 12.655 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.623 -9.682 14.370 1.00 0.00 H new ATOM 0 HG23 VAL A 65 60.012 -8.710 13.830 1.00 0.00 H new ATOM 1018 N GLU A 66 59.172 -10.061 16.929 1.00 0.00 N ATOM 1019 CA GLU A 66 58.042 -10.320 17.795 1.00 0.00 C ATOM 1020 C GLU A 66 57.006 -9.203 17.693 1.00 0.00 C ATOM 1021 O GLU A 66 57.280 -8.070 18.079 1.00 0.00 O ATOM 1022 CB GLU A 66 58.474 -10.464 19.250 1.00 0.00 C ATOM 1023 CG GLU A 66 57.224 -10.446 20.135 1.00 0.00 C ATOM 1024 CD GLU A 66 57.552 -10.992 21.520 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.644 -11.084 22.330 1.00 0.00 O ATOM 1026 OE2 GLU A 66 58.707 -11.310 21.752 1.00 0.00 O ATOM 0 H GLU A 66 59.446 -9.082 16.845 1.00 0.00 H new ATOM 0 HA GLU A 66 57.598 -11.258 17.463 1.00 0.00 H new ATOM 0 HB2 GLU A 66 59.024 -11.394 19.391 1.00 0.00 H new ATOM 0 HB3 GLU A 66 59.146 -9.652 19.527 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.843 -9.428 20.218 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.437 -11.045 19.677 1.00 0.00 H new ATOM 1033 N ALA A 67 55.805 -9.524 17.205 1.00 0.00 N ATOM 1034 CA ALA A 67 54.751 -8.517 17.106 1.00 0.00 C ATOM 1035 C ALA A 67 53.583 -8.903 18.000 1.00 0.00 C ATOM 1036 O ALA A 67 53.409 -10.078 18.322 1.00 0.00 O ATOM 1037 CB ALA A 67 54.303 -8.354 15.655 1.00 0.00 C ATOM 0 H ALA A 67 55.543 -10.454 16.879 1.00 0.00 H new ATOM 0 HA ALA A 67 55.141 -7.557 17.444 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.518 -7.600 15.599 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.151 -8.041 15.046 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.921 -9.305 15.283 1.00 0.00 H new ATOM 1043 N THR A 68 52.805 -7.912 18.440 1.00 0.00 N ATOM 1044 CA THR A 68 51.696 -8.197 19.332 1.00 0.00 C ATOM 1045 C THR A 68 50.573 -7.162 19.222 1.00 0.00 C ATOM 1046 O THR A 68 50.674 -6.060 19.761 1.00 0.00 O ATOM 1047 CB THR A 68 52.212 -8.209 20.768 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.280 -9.136 20.882 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.080 -8.603 21.709 1.00 0.00 C ATOM 0 H THR A 68 52.923 -6.929 18.196 1.00 0.00 H new ATOM 0 HA THR A 68 51.283 -9.165 19.047 1.00 0.00 H new ATOM 0 HB THR A 68 52.573 -7.216 21.035 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.611 -9.142 21.804 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.447 -8.612 22.735 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.266 -7.883 21.621 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.716 -9.596 21.445 1.00 0.00 H new ATOM 1057 N GLY A 69 49.495 -7.541 18.546 1.00 0.00 N ATOM 1058 CA GLY A 69 48.333 -6.667 18.390 1.00 0.00 C ATOM 1059 C GLY A 69 47.353 -7.237 17.369 1.00 0.00 C ATOM 1060 O GLY A 69 47.603 -8.269 16.756 1.00 0.00 O ATOM 0 H GLY A 69 49.399 -8.451 18.095 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.833 -6.546 19.351 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.659 -5.676 18.073 1.00 0.00 H new ATOM 1064 N PRO A 70 46.244 -6.590 17.176 1.00 0.00 N ATOM 1065 CA PRO A 70 45.210 -7.041 16.207 1.00 0.00 C ATOM 1066 C PRO A 70 45.798 -7.600 14.916 1.00 0.00 C ATOM 1067 O PRO A 70 45.426 -8.689 14.477 1.00 0.00 O ATOM 1068 CB PRO A 70 44.430 -5.762 15.937 1.00 0.00 C ATOM 1069 CG PRO A 70 44.473 -5.027 17.234 1.00 0.00 C ATOM 1070 CD PRO A 70 45.835 -5.351 17.862 1.00 0.00 C ATOM 0 HA PRO A 70 44.610 -7.861 16.600 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.884 -5.181 15.134 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.405 -5.977 15.635 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.361 -3.954 17.078 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.658 -5.341 17.887 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.553 -4.547 17.700 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.756 -5.496 18.939 1.00 0.00 H new ATOM 1078 N GLN A 71 46.690 -6.836 14.296 1.00 0.00 N ATOM 1079 CA GLN A 71 47.294 -7.262 13.025 1.00 0.00 C ATOM 1080 C GLN A 71 48.822 -7.389 13.109 1.00 0.00 C ATOM 1081 O GLN A 71 49.536 -6.981 12.195 1.00 0.00 O ATOM 1082 CB GLN A 71 46.915 -6.261 11.928 1.00 0.00 C ATOM 1083 CG GLN A 71 45.477 -6.521 11.466 1.00 0.00 C ATOM 1084 CD GLN A 71 44.907 -5.274 10.796 1.00 0.00 C ATOM 1085 OE1 GLN A 71 45.171 -4.097 11.294 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 44.201 -5.376 9.793 1.00 0.00 N flip ATOM 0 H GLN A 71 47.012 -5.931 14.640 1.00 0.00 H new ATOM 0 HA GLN A 71 46.906 -8.253 12.791 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.008 -5.242 12.304 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.600 -6.353 11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.457 -7.359 10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.858 -6.800 12.319 1.00 0.00 H new ATOM 0 HE21 GLN A 71 43.996 -6.297 9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.821 -4.540 9.350 1.00 0.00 H new ATOM 1095 N GLU A 72 49.316 -7.973 14.196 1.00 0.00 N ATOM 1096 CA GLU A 72 50.757 -8.163 14.372 1.00 0.00 C ATOM 1097 C GLU A 72 51.325 -9.069 13.301 1.00 0.00 C ATOM 1098 O GLU A 72 52.438 -8.858 12.826 1.00 0.00 O ATOM 1099 CB GLU A 72 51.030 -8.776 15.754 1.00 0.00 C ATOM 1100 CG GLU A 72 49.845 -9.644 16.165 1.00 0.00 C ATOM 1101 CD GLU A 72 50.270 -10.674 17.203 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.457 -10.783 17.441 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.401 -11.338 17.742 1.00 0.00 O ATOM 0 H GLU A 72 48.746 -8.322 14.966 1.00 0.00 H new ATOM 0 HA GLU A 72 51.241 -7.190 14.292 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.941 -9.374 15.725 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.190 -7.987 16.489 1.00 0.00 H new ATOM 0 HG2 GLU A 72 49.051 -9.017 16.571 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.436 -10.149 15.290 1.00 0.00 H new ATOM 1110 N GLU A 73 50.566 -10.073 12.928 1.00 0.00 N ATOM 1111 CA GLU A 73 51.027 -11.000 11.916 1.00 0.00 C ATOM 1112 C GLU A 73 51.320 -10.255 10.624 1.00 0.00 C ATOM 1113 O GLU A 73 52.456 -10.214 10.174 1.00 0.00 O ATOM 1114 CB GLU A 73 49.975 -12.086 11.672 1.00 0.00 C ATOM 1115 CG GLU A 73 49.787 -12.923 12.951 1.00 0.00 C ATOM 1116 CD GLU A 73 49.903 -14.416 12.642 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.711 -14.784 11.495 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.175 -15.171 13.562 1.00 0.00 O ATOM 0 H GLU A 73 49.638 -10.269 13.303 1.00 0.00 H new ATOM 0 HA GLU A 73 51.943 -11.475 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 73 49.028 -11.630 11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.286 -12.728 10.848 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.537 -12.640 13.690 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.812 -12.712 13.390 1.00 0.00 H new ATOM 1125 N GLU A 74 50.298 -9.641 10.048 1.00 0.00 N ATOM 1126 CA GLU A 74 50.478 -8.890 8.810 1.00 0.00 C ATOM 1127 C GLU A 74 51.694 -7.977 8.920 1.00 0.00 C ATOM 1128 O GLU A 74 52.468 -7.826 7.976 1.00 0.00 O ATOM 1129 CB GLU A 74 49.232 -8.044 8.539 1.00 0.00 C ATOM 1130 CG GLU A 74 47.990 -8.784 9.036 1.00 0.00 C ATOM 1131 CD GLU A 74 46.737 -8.178 8.414 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.543 -6.983 8.565 1.00 0.00 O ATOM 1133 OE2 GLU A 74 45.989 -8.918 7.796 1.00 0.00 O ATOM 0 H GLU A 74 49.345 -9.646 10.411 1.00 0.00 H new ATOM 0 HA GLU A 74 50.632 -9.592 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.318 -7.080 9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.144 -7.841 7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.059 -9.841 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.932 -8.724 10.123 1.00 0.00 H new ATOM 1140 N ALA A 75 51.832 -7.369 10.084 1.00 0.00 N ATOM 1141 CA ALA A 75 52.933 -6.448 10.353 1.00 0.00 C ATOM 1142 C ALA A 75 54.265 -7.168 10.380 1.00 0.00 C ATOM 1143 O ALA A 75 55.149 -6.858 9.596 1.00 0.00 O ATOM 1144 CB ALA A 75 52.687 -5.752 11.705 1.00 0.00 C ATOM 0 H ALA A 75 51.192 -7.495 10.868 1.00 0.00 H new ATOM 0 HA ALA A 75 52.971 -5.711 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.505 -5.062 11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.748 -5.200 11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.634 -6.501 12.495 1.00 0.00 H new ATOM 1150 N LEU A 76 54.387 -8.127 11.273 1.00 0.00 N ATOM 1151 CA LEU A 76 55.604 -8.907 11.410 1.00 0.00 C ATOM 1152 C LEU A 76 55.750 -9.847 10.220 1.00 0.00 C ATOM 1153 O LEU A 76 56.856 -10.175 9.797 1.00 0.00 O ATOM 1154 CB LEU A 76 55.486 -9.672 12.729 1.00 0.00 C ATOM 1155 CG LEU A 76 56.116 -11.064 12.660 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.294 -11.564 14.095 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.197 -12.034 11.891 1.00 0.00 C ATOM 0 H LEU A 76 53.648 -8.390 11.925 1.00 0.00 H new ATOM 0 HA LEU A 76 56.494 -8.277 11.424 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.967 -9.099 13.522 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.434 -9.766 12.997 1.00 0.00 H new ATOM 0 HG LEU A 76 57.073 -11.015 12.140 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.742 -12.557 14.081 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.944 -10.880 14.641 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.322 -11.611 14.587 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.660 -13.020 11.851 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.236 -12.105 12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.044 -11.664 10.877 1.00 0.00 H new ATOM 1169 N ALA A 77 54.613 -10.259 9.685 1.00 0.00 N ATOM 1170 CA ALA A 77 54.587 -11.149 8.533 1.00 0.00 C ATOM 1171 C ALA A 77 54.944 -10.383 7.263 1.00 0.00 C ATOM 1172 O ALA A 77 55.436 -10.963 6.294 1.00 0.00 O ATOM 1173 CB ALA A 77 53.188 -11.747 8.380 1.00 0.00 C ATOM 0 H ALA A 77 53.692 -9.991 10.031 1.00 0.00 H new ATOM 0 HA ALA A 77 55.317 -11.944 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.169 -12.413 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.932 -12.309 9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.464 -10.946 8.235 1.00 0.00 H new ATOM 1179 N ALA A 78 54.698 -9.075 7.276 1.00 0.00 N ATOM 1180 CA ALA A 78 55.004 -8.246 6.116 1.00 0.00 C ATOM 1181 C ALA A 78 56.500 -7.972 6.071 1.00 0.00 C ATOM 1182 O ALA A 78 57.132 -8.032 5.012 1.00 0.00 O ATOM 1183 CB ALA A 78 54.219 -6.929 6.181 1.00 0.00 C ATOM 0 H ALA A 78 54.293 -8.573 8.066 1.00 0.00 H new ATOM 0 HA ALA A 78 54.710 -8.773 5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.457 -6.320 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.150 -7.143 6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.491 -6.387 7.087 1.00 0.00 H new ATOM 1189 N VAL A 79 57.069 -7.712 7.239 1.00 0.00 N ATOM 1190 CA VAL A 79 58.495 -7.471 7.335 1.00 0.00 C ATOM 1191 C VAL A 79 59.215 -8.745 6.954 1.00 0.00 C ATOM 1192 O VAL A 79 60.194 -8.729 6.218 1.00 0.00 O ATOM 1193 CB VAL A 79 58.876 -7.079 8.770 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.627 -6.689 9.539 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.536 -8.267 9.469 1.00 0.00 C ATOM 0 H VAL A 79 56.567 -7.663 8.125 1.00 0.00 H new ATOM 0 HA VAL A 79 58.776 -6.656 6.668 1.00 0.00 H new ATOM 0 HB VAL A 79 59.569 -6.238 8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.899 -6.411 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.147 -5.843 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.937 -7.533 9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.805 -7.986 10.487 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.840 -9.106 9.496 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.434 -8.558 8.923 1.00 0.00 H new ATOM 1205 N ILE A 80 58.710 -9.851 7.483 1.00 0.00 N ATOM 1206 CA ILE A 80 59.289 -11.146 7.222 1.00 0.00 C ATOM 1207 C ILE A 80 59.510 -11.302 5.752 1.00 0.00 C ATOM 1208 O ILE A 80 60.633 -11.502 5.305 1.00 0.00 O ATOM 1209 CB ILE A 80 58.373 -12.217 7.780 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.588 -12.226 9.297 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.703 -13.584 7.162 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.538 -13.350 9.690 1.00 0.00 C ATOM 0 H ILE A 80 57.896 -9.869 8.098 1.00 0.00 H new ATOM 0 HA ILE A 80 60.257 -11.244 7.712 1.00 0.00 H new ATOM 0 HB ILE A 80 57.330 -12.011 7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 80 58.995 -11.267 9.619 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.633 -12.354 9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.035 -14.340 7.574 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.573 -13.536 6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.736 -13.847 7.392 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.681 -13.344 10.771 1.00 0.00 H new ATOM 0 HD12 ILE A 80 59.115 -14.307 9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.498 -13.204 9.196 1.00 0.00 H new ATOM 1224 N ALA A 81 58.455 -11.146 4.993 1.00 0.00 N ATOM 1225 CA ALA A 81 58.603 -11.216 3.563 1.00 0.00 C ATOM 1226 C ALA A 81 59.780 -10.349 3.182 1.00 0.00 C ATOM 1227 O ALA A 81 60.441 -10.581 2.169 1.00 0.00 O ATOM 1228 CB ALA A 81 57.358 -10.697 2.874 1.00 0.00 C ATOM 0 H ALA A 81 57.508 -10.974 5.330 1.00 0.00 H new ATOM 0 HA ALA A 81 58.759 -12.250 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.488 -10.758 1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.500 -11.300 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.189 -9.659 3.161 1.00 0.00 H new ATOM 1234 N LEU A 82 60.062 -9.359 4.033 1.00 0.00 N ATOM 1235 CA LEU A 82 61.195 -8.492 3.791 1.00 0.00 C ATOM 1236 C LEU A 82 62.406 -9.065 4.499 1.00 0.00 C ATOM 1237 O LEU A 82 63.501 -9.118 3.939 1.00 0.00 O ATOM 1238 CB LEU A 82 60.911 -7.068 4.276 1.00 0.00 C ATOM 1239 CG LEU A 82 61.626 -6.071 3.358 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.122 -6.408 3.313 1.00 0.00 C ATOM 1241 CD2 LEU A 82 61.032 -6.149 1.940 1.00 0.00 C ATOM 0 H LEU A 82 59.528 -9.148 4.876 1.00 0.00 H new ATOM 0 HA LEU A 82 61.386 -8.439 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.838 -6.878 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.254 -6.946 5.303 1.00 0.00 H new ATOM 0 HG LEU A 82 61.491 -5.060 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.635 -5.701 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.540 -6.344 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.256 -7.419 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.544 -5.438 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.161 -7.157 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.970 -5.907 1.977 1.00 0.00 H new ATOM 1253 N PHE A 83 62.195 -9.529 5.726 1.00 0.00 N ATOM 1254 CA PHE A 83 63.275 -10.129 6.469 1.00 0.00 C ATOM 1255 C PHE A 83 63.731 -11.357 5.711 1.00 0.00 C ATOM 1256 O PHE A 83 64.910 -11.712 5.703 1.00 0.00 O ATOM 1257 CB PHE A 83 62.838 -10.499 7.881 1.00 0.00 C ATOM 1258 CG PHE A 83 62.944 -9.308 8.804 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.186 -9.522 10.165 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.805 -7.997 8.314 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.294 -8.440 11.033 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.913 -6.917 9.192 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.158 -7.145 10.548 1.00 0.00 C ATOM 0 H PHE A 83 61.299 -9.498 6.213 1.00 0.00 H new ATOM 0 HA PHE A 83 64.094 -9.417 6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.810 -10.862 7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.458 -11.313 8.257 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.289 -10.529 10.543 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.616 -7.827 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.483 -8.607 12.083 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.807 -5.907 8.823 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.242 -6.308 11.225 1.00 0.00 H new ATOM 1273 N ASN A 84 62.770 -11.971 5.035 1.00 0.00 N ATOM 1274 CA ASN A 84 63.029 -13.131 4.216 1.00 0.00 C ATOM 1275 C ASN A 84 63.420 -12.646 2.843 1.00 0.00 C ATOM 1276 O ASN A 84 63.937 -13.387 2.006 1.00 0.00 O ATOM 1277 CB ASN A 84 61.759 -13.978 4.133 1.00 0.00 C ATOM 1278 CG ASN A 84 62.074 -15.453 4.362 1.00 0.00 C ATOM 1279 OD1 ASN A 84 63.024 -15.984 3.787 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.325 -16.147 5.174 1.00 0.00 N ATOM 0 H ASN A 84 61.794 -11.675 5.043 1.00 0.00 H new ATOM 0 HA ASN A 84 63.828 -13.739 4.639 1.00 0.00 H new ATOM 0 HB2 ASN A 84 61.039 -13.636 4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.294 -13.849 3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.526 -17.134 5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.539 -15.702 5.648 1.00 0.00 H new ATOM 1287 N SER A 85 63.152 -11.374 2.648 1.00 0.00 N ATOM 1288 CA SER A 85 63.453 -10.706 1.387 1.00 0.00 C ATOM 1289 C SER A 85 62.553 -11.234 0.273 1.00 0.00 C ATOM 1290 O SER A 85 62.758 -10.841 -0.863 1.00 0.00 O ATOM 1291 CB SER A 85 64.919 -10.930 1.014 1.00 0.00 C ATOM 1292 OG SER A 85 65.716 -10.874 2.189 1.00 0.00 O ATOM 1293 OXT SER A 85 61.673 -12.024 0.573 1.00 0.00 O ATOM 0 H SER A 85 62.722 -10.771 3.349 1.00 0.00 H new ATOM 0 HA SER A 85 63.270 -9.638 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.038 -11.897 0.526 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.245 -10.171 0.303 1.00 0.00 H new ATOM 0 HG SER A 85 66.656 -11.019 1.954 1.00 0.00 H new