USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -67:sc= 1.25 USER MOD Single : A 9 ASN : amide:sc= 0.00609 K(o=0.0061,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 1.07 (180deg=0.444) USER MOD Single : A 14 ASN : amide:sc= -0.0197 K(o=-0.02,f=-1.4) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 170:sc= 2.02 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0916 X(o=-0.092,f=-0.13) USER MOD Single : A 31 MET CE :methyl -175:sc= 0 (180deg=-0.0312) USER MOD Single : A 32 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.4!) USER MOD Single : A 34 ASN : amide:sc= -0.0441 X(o=-0.044,f=-0.044) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0268 K(o=-0.027,f=-2.5!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.159 K(o=0.16,f=-5.4!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 49 SER OG : rot -65:sc= 0.833 USER MOD Single : A 56 CYS SG : rot 83:sc= 0.718 USER MOD Single : A 58 SER OG : rot -37:sc= 0.0655 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 121:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.521 41.400 33.563 1.00 0.00 N ATOM 2 CA PRO A 1 19.791 41.901 33.011 1.00 0.00 C ATOM 3 C PRO A 1 20.149 41.331 31.629 1.00 0.00 C ATOM 4 O PRO A 1 19.447 40.490 31.066 1.00 0.00 O ATOM 5 CB PRO A 1 20.852 41.613 34.089 1.00 0.00 C ATOM 6 CG PRO A 1 20.058 41.637 35.402 1.00 0.00 C ATOM 7 CD PRO A 1 18.612 41.857 34.957 1.00 0.00 C ATOM 0 H2 PRO A 1 18.446 40.385 33.495 1.00 0.00 H new ATOM 0 H3 PRO A 1 17.711 41.792 33.082 1.00 0.00 H new ATOM 0 HA PRO A 1 19.720 42.968 32.802 1.00 0.00 H new ATOM 0 HB2 PRO A 1 21.332 40.647 33.930 1.00 0.00 H new ATOM 0 HB3 PRO A 1 21.641 42.365 34.085 1.00 0.00 H new ATOM 0 HG2 PRO A 1 20.168 40.702 35.952 1.00 0.00 H new ATOM 0 HG3 PRO A 1 20.399 42.436 36.060 1.00 0.00 H new ATOM 0 HD2 PRO A 1 17.923 41.300 35.592 1.00 0.00 H new ATOM 0 HD3 PRO A 1 18.339 42.909 35.037 1.00 0.00 H new ATOM 17 N LYS A 2 21.260 41.814 31.073 1.00 0.00 N ATOM 18 CA LYS A 2 21.821 41.448 29.771 1.00 0.00 C ATOM 19 C LYS A 2 23.308 41.117 29.916 1.00 0.00 C ATOM 20 O LYS A 2 24.006 41.694 30.749 1.00 0.00 O ATOM 21 CB LYS A 2 21.637 42.615 28.779 1.00 0.00 C ATOM 22 CG LYS A 2 20.181 42.904 28.364 1.00 0.00 C ATOM 23 CD LYS A 2 19.666 44.291 28.787 1.00 0.00 C ATOM 24 CE LYS A 2 19.488 44.400 30.302 1.00 0.00 C ATOM 25 NZ LYS A 2 18.761 45.628 30.697 1.00 0.00 N ATOM 0 H LYS A 2 21.828 42.515 31.549 1.00 0.00 H new ATOM 0 HA LYS A 2 21.299 40.569 29.392 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.057 43.517 29.224 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.218 42.402 27.881 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.099 42.814 27.281 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.534 42.141 28.797 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.365 45.056 28.448 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.714 44.489 28.295 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.946 43.527 30.665 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.467 44.390 30.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.665 45.657 31.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.290 46.463 30.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.816 45.627 30.262 1.00 0.00 H new ATOM 39 N SER A 3 23.796 40.210 29.078 1.00 0.00 N ATOM 40 CA SER A 3 25.218 39.928 28.871 1.00 0.00 C ATOM 41 C SER A 3 25.413 39.155 27.567 1.00 0.00 C ATOM 42 O SER A 3 24.472 38.523 27.081 1.00 0.00 O ATOM 43 CB SER A 3 25.792 39.111 30.039 1.00 0.00 C ATOM 44 OG SER A 3 25.406 37.755 29.989 1.00 0.00 O ATOM 0 H SER A 3 23.191 39.626 28.500 1.00 0.00 H new ATOM 0 HA SER A 3 25.747 40.879 28.817 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.880 39.177 30.025 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.459 39.546 30.981 1.00 0.00 H new ATOM 0 HG SER A 3 24.441 37.684 30.142 1.00 0.00 H new ATOM 50 N ARG A 4 26.638 39.145 27.043 1.00 0.00 N ATOM 51 CA ARG A 4 27.108 38.165 26.063 1.00 0.00 C ATOM 52 C ARG A 4 28.444 37.562 26.477 1.00 0.00 C ATOM 53 O ARG A 4 29.197 38.163 27.241 1.00 0.00 O ATOM 54 CB ARG A 4 27.084 38.721 24.627 1.00 0.00 C ATOM 55 CG ARG A 4 28.299 39.564 24.208 1.00 0.00 C ATOM 56 CD ARG A 4 28.027 40.158 22.820 1.00 0.00 C ATOM 57 NE ARG A 4 29.221 40.773 22.219 1.00 0.00 N ATOM 58 CZ ARG A 4 29.279 41.335 21.028 1.00 0.00 C ATOM 59 NH1 ARG A 4 28.243 41.462 20.255 1.00 0.00 N ATOM 60 NH2 ARG A 4 30.414 41.778 20.588 1.00 0.00 N ATOM 0 H ARG A 4 27.348 39.833 27.293 1.00 0.00 H new ATOM 0 HA ARG A 4 26.401 37.335 26.051 1.00 0.00 H new ATOM 0 HB2 ARG A 4 26.993 37.883 23.936 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.187 39.329 24.510 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.475 40.359 24.932 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.198 38.948 24.186 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.657 39.373 22.160 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.239 40.907 22.898 1.00 0.00 H new ATOM 0 HE ARG A 4 30.078 40.764 22.772 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.333 41.119 20.562 1.00 0.00 H new ATOM 0 HH12 ARG A 4 28.340 41.905 19.341 1.00 0.00 H new ATOM 0 HH21 ARG A 4 31.253 41.690 21.162 1.00 0.00 H new ATOM 0 HH22 ARG A 4 30.469 42.214 19.668 1.00 0.00 H new ATOM 74 N LEU A 5 28.705 36.371 25.962 1.00 0.00 N ATOM 75 CA LEU A 5 29.858 35.529 26.235 1.00 0.00 C ATOM 76 C LEU A 5 30.505 35.170 24.902 1.00 0.00 C ATOM 77 O LEU A 5 29.872 34.528 24.066 1.00 0.00 O ATOM 78 CB LEU A 5 29.356 34.294 26.994 1.00 0.00 C ATOM 79 CG LEU A 5 30.386 33.239 27.426 1.00 0.00 C ATOM 80 CD1 LEU A 5 30.882 32.322 26.310 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.589 33.850 28.137 1.00 0.00 C ATOM 0 H LEU A 5 28.069 35.936 25.293 1.00 0.00 H new ATOM 0 HA LEU A 5 30.610 36.027 26.848 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.839 34.641 27.889 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.614 33.798 26.369 1.00 0.00 H new ATOM 0 HG LEU A 5 29.821 32.618 28.122 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.604 31.614 26.715 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.039 31.777 25.885 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.357 32.920 25.532 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.284 33.060 28.420 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.089 34.551 27.469 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.255 34.376 29.031 1.00 0.00 H new ATOM 93 N PHE A 6 31.750 35.590 24.716 1.00 0.00 N ATOM 94 CA PHE A 6 32.548 35.320 23.527 1.00 0.00 C ATOM 95 C PHE A 6 33.538 34.172 23.763 1.00 0.00 C ATOM 96 O PHE A 6 34.065 34.016 24.868 1.00 0.00 O ATOM 97 CB PHE A 6 33.264 36.613 23.122 1.00 0.00 C ATOM 98 CG PHE A 6 34.164 36.468 21.913 1.00 0.00 C ATOM 99 CD1 PHE A 6 33.625 36.048 20.682 1.00 0.00 C ATOM 100 CD2 PHE A 6 35.539 36.749 22.017 1.00 0.00 C ATOM 101 CE1 PHE A 6 34.442 35.967 19.543 1.00 0.00 C ATOM 102 CE2 PHE A 6 36.361 36.652 20.881 1.00 0.00 C ATOM 103 CZ PHE A 6 35.807 36.281 19.641 1.00 0.00 C ATOM 0 H PHE A 6 32.248 36.146 25.411 1.00 0.00 H new ATOM 0 HA PHE A 6 31.897 34.997 22.714 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.517 37.380 22.916 1.00 0.00 H new ATOM 0 HB3 PHE A 6 33.859 36.965 23.964 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.579 35.787 20.614 1.00 0.00 H new ATOM 0 HD2 PHE A 6 35.962 37.039 22.968 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.022 35.664 18.595 1.00 0.00 H new ATOM 0 HE2 PHE A 6 37.417 36.862 20.959 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.434 36.238 18.763 1.00 0.00 H new ATOM 113 N ILE A 7 33.808 33.398 22.710 1.00 0.00 N ATOM 114 CA ILE A 7 34.832 32.345 22.683 1.00 0.00 C ATOM 115 C ILE A 7 36.055 32.854 21.913 1.00 0.00 C ATOM 116 O ILE A 7 35.917 33.349 20.796 1.00 0.00 O ATOM 117 CB ILE A 7 34.291 31.042 22.045 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.875 30.637 22.517 1.00 0.00 C ATOM 119 CG2 ILE A 7 35.274 29.885 22.298 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.755 30.387 24.022 1.00 0.00 C ATOM 0 H ILE A 7 33.307 33.487 21.826 1.00 0.00 H new ATOM 0 HA ILE A 7 35.116 32.108 23.708 1.00 0.00 H new ATOM 0 HB ILE A 7 34.203 31.250 20.979 1.00 0.00 H new ATOM 0 HG12 ILE A 7 32.173 31.422 22.235 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.573 29.734 21.986 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.886 28.972 21.846 1.00 0.00 H new ATOM 0 HG22 ILE A 7 36.241 30.126 21.856 1.00 0.00 H new ATOM 0 HG23 ILE A 7 35.392 29.736 23.371 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.729 30.108 24.264 1.00 0.00 H new ATOM 0 HD12 ILE A 7 33.428 29.580 24.312 1.00 0.00 H new ATOM 0 HD13 ILE A 7 33.022 31.294 24.564 1.00 0.00 H new ATOM 132 N GLY A 8 37.254 32.688 22.477 1.00 0.00 N ATOM 133 CA GLY A 8 38.509 32.990 21.779 1.00 0.00 C ATOM 134 C GLY A 8 38.758 32.093 20.556 1.00 0.00 C ATOM 135 O GLY A 8 37.947 31.237 20.215 1.00 0.00 O ATOM 0 H GLY A 8 37.384 32.342 23.428 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.497 34.032 21.460 1.00 0.00 H new ATOM 0 HA3 GLY A 8 39.340 32.880 22.476 1.00 0.00 H new ATOM 139 N ASN A 9 39.910 32.251 19.905 1.00 0.00 N ATOM 140 CA ASN A 9 40.243 31.657 18.600 1.00 0.00 C ATOM 141 C ASN A 9 40.607 30.152 18.642 1.00 0.00 C ATOM 142 O ASN A 9 41.614 29.707 18.088 1.00 0.00 O ATOM 143 CB ASN A 9 41.315 32.533 17.936 1.00 0.00 C ATOM 144 CG ASN A 9 42.681 32.453 18.590 1.00 0.00 C ATOM 145 OD1 ASN A 9 42.835 32.414 19.806 1.00 0.00 O ATOM 146 ND2 ASN A 9 43.711 32.449 17.788 1.00 0.00 N ATOM 0 H ASN A 9 40.670 32.817 20.282 1.00 0.00 H new ATOM 0 HA ASN A 9 39.342 31.654 17.987 1.00 0.00 H new ATOM 0 HB2 ASN A 9 41.409 32.241 16.890 1.00 0.00 H new ATOM 0 HB3 ASN A 9 40.979 33.570 17.949 1.00 0.00 H new ATOM 0 HD21 ASN A 9 44.656 32.413 18.171 1.00 0.00 H new ATOM 0 HD22 ASN A 9 43.571 32.482 16.778 1.00 0.00 H new ATOM 153 N LEU A 10 39.784 29.367 19.336 1.00 0.00 N ATOM 154 CA LEU A 10 39.982 27.958 19.678 1.00 0.00 C ATOM 155 C LEU A 10 38.915 26.978 19.120 1.00 0.00 C ATOM 156 O LEU A 10 39.278 25.817 18.922 1.00 0.00 O ATOM 157 CB LEU A 10 40.085 27.843 21.213 1.00 0.00 C ATOM 158 CG LEU A 10 41.051 28.832 21.903 1.00 0.00 C ATOM 159 CD1 LEU A 10 40.989 28.608 23.410 1.00 0.00 C ATOM 160 CD2 LEU A 10 42.508 28.700 21.464 1.00 0.00 C ATOM 0 H LEU A 10 38.900 29.723 19.700 1.00 0.00 H new ATOM 0 HA LEU A 10 40.904 27.644 19.188 1.00 0.00 H new ATOM 0 HB2 LEU A 10 39.090 27.983 21.636 1.00 0.00 H new ATOM 0 HB3 LEU A 10 40.397 26.828 21.461 1.00 0.00 H new ATOM 0 HG LEU A 10 40.722 29.830 21.612 1.00 0.00 H new ATOM 0 HD11 LEU A 10 41.667 29.300 23.909 1.00 0.00 H new ATOM 0 HD12 LEU A 10 39.972 28.779 23.762 1.00 0.00 H new ATOM 0 HD13 LEU A 10 41.284 27.584 23.638 1.00 0.00 H new ATOM 0 HD21 LEU A 10 43.116 29.431 21.997 1.00 0.00 H new ATOM 0 HD22 LEU A 10 42.866 27.696 21.690 1.00 0.00 H new ATOM 0 HD23 LEU A 10 42.582 28.879 20.391 1.00 0.00 H new ATOM 172 N PRO A 11 37.646 27.344 18.809 1.00 0.00 N ATOM 173 CA PRO A 11 36.637 26.393 18.324 1.00 0.00 C ATOM 174 C PRO A 11 36.763 26.115 16.812 1.00 0.00 C ATOM 175 O PRO A 11 35.772 25.963 16.102 1.00 0.00 O ATOM 176 CB PRO A 11 35.291 26.990 18.744 1.00 0.00 C ATOM 177 CG PRO A 11 35.535 28.482 18.580 1.00 0.00 C ATOM 178 CD PRO A 11 36.994 28.635 19.007 1.00 0.00 C ATOM 0 HA PRO A 11 36.765 25.402 18.759 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.475 26.639 18.112 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.033 26.730 19.771 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.378 28.807 17.551 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.866 29.073 19.206 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.487 29.408 18.418 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.058 28.941 20.051 1.00 0.00 H new ATOM 186 N LEU A 12 37.994 26.023 16.302 1.00 0.00 N ATOM 187 CA LEU A 12 38.338 25.783 14.892 1.00 0.00 C ATOM 188 C LEU A 12 38.228 24.275 14.565 1.00 0.00 C ATOM 189 O LEU A 12 39.164 23.649 14.068 1.00 0.00 O ATOM 190 CB LEU A 12 39.732 26.390 14.609 1.00 0.00 C ATOM 191 CG LEU A 12 39.777 27.928 14.459 1.00 0.00 C ATOM 192 CD1 LEU A 12 39.298 28.715 15.681 1.00 0.00 C ATOM 193 CD2 LEU A 12 41.216 28.361 14.177 1.00 0.00 C ATOM 0 H LEU A 12 38.823 26.118 16.889 1.00 0.00 H new ATOM 0 HA LEU A 12 37.633 26.279 14.225 1.00 0.00 H new ATOM 0 HB2 LEU A 12 40.404 26.103 15.418 1.00 0.00 H new ATOM 0 HB3 LEU A 12 40.124 25.943 13.695 1.00 0.00 H new ATOM 0 HG LEU A 12 39.090 28.154 13.644 1.00 0.00 H new ATOM 0 HD11 LEU A 12 39.368 29.783 15.476 1.00 0.00 H new ATOM 0 HD12 LEU A 12 38.262 28.454 15.898 1.00 0.00 H new ATOM 0 HD13 LEU A 12 39.922 28.469 16.540 1.00 0.00 H new ATOM 0 HD21 LEU A 12 41.255 29.445 14.070 1.00 0.00 H new ATOM 0 HD22 LEU A 12 41.857 28.054 15.004 1.00 0.00 H new ATOM 0 HD23 LEU A 12 41.563 27.893 13.256 1.00 0.00 H new ATOM 205 N LYS A 13 37.092 23.677 14.950 1.00 0.00 N ATOM 206 CA LYS A 13 36.882 22.226 15.118 1.00 0.00 C ATOM 207 C LYS A 13 35.496 21.757 14.647 1.00 0.00 C ATOM 208 O LYS A 13 34.862 20.920 15.289 1.00 0.00 O ATOM 209 CB LYS A 13 37.210 21.834 16.575 1.00 0.00 C ATOM 210 CG LYS A 13 36.269 22.430 17.641 1.00 0.00 C ATOM 211 CD LYS A 13 36.706 22.013 19.052 1.00 0.00 C ATOM 212 CE LYS A 13 35.658 22.384 20.108 1.00 0.00 C ATOM 213 NZ LYS A 13 34.501 21.457 20.098 1.00 0.00 N ATOM 0 H LYS A 13 36.252 24.215 15.164 1.00 0.00 H new ATOM 0 HA LYS A 13 37.569 21.693 14.461 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.184 20.747 16.657 1.00 0.00 H new ATOM 0 HB3 LYS A 13 38.230 22.146 16.798 1.00 0.00 H new ATOM 0 HG2 LYS A 13 36.267 23.517 17.563 1.00 0.00 H new ATOM 0 HG3 LYS A 13 35.248 22.095 17.458 1.00 0.00 H new ATOM 0 HD2 LYS A 13 36.880 20.937 19.075 1.00 0.00 H new ATOM 0 HD3 LYS A 13 37.653 22.494 19.296 1.00 0.00 H new ATOM 0 HE2 LYS A 13 36.120 22.375 21.095 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.308 23.401 19.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 33.940 21.592 20.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 33.907 21.652 19.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.843 20.476 20.057 1.00 0.00 H new ATOM 227 N ASN A 14 35.013 22.353 13.554 1.00 0.00 N ATOM 228 CA ASN A 14 33.666 22.183 13.003 1.00 0.00 C ATOM 229 C ASN A 14 32.568 22.397 14.061 1.00 0.00 C ATOM 230 O ASN A 14 31.807 21.482 14.400 1.00 0.00 O ATOM 231 CB ASN A 14 33.580 20.851 12.247 1.00 0.00 C ATOM 232 CG ASN A 14 32.300 20.719 11.449 1.00 0.00 C ATOM 233 OD1 ASN A 14 31.488 21.632 11.339 1.00 0.00 O ATOM 234 ND2 ASN A 14 32.095 19.592 10.823 1.00 0.00 N ATOM 0 H ASN A 14 35.578 22.999 13.002 1.00 0.00 H new ATOM 0 HA ASN A 14 33.474 22.969 12.272 1.00 0.00 H new ATOM 0 HB2 ASN A 14 34.434 20.762 11.575 1.00 0.00 H new ATOM 0 HB3 ASN A 14 33.647 20.028 12.959 1.00 0.00 H new ATOM 0 HD21 ASN A 14 31.263 19.473 10.246 1.00 0.00 H new ATOM 0 HD22 ASN A 14 32.767 18.830 10.911 1.00 0.00 H new ATOM 241 N VAL A 15 32.531 23.607 14.620 1.00 0.00 N ATOM 242 CA VAL A 15 31.744 23.938 15.816 1.00 0.00 C ATOM 243 C VAL A 15 30.242 24.115 15.523 1.00 0.00 C ATOM 244 O VAL A 15 29.842 24.520 14.430 1.00 0.00 O ATOM 245 CB VAL A 15 32.391 25.112 16.578 1.00 0.00 C ATOM 246 CG1 VAL A 15 32.401 26.427 15.789 1.00 0.00 C ATOM 247 CG2 VAL A 15 31.758 25.307 17.958 1.00 0.00 C ATOM 0 H VAL A 15 33.055 24.400 14.251 1.00 0.00 H new ATOM 0 HA VAL A 15 31.770 23.080 16.488 1.00 0.00 H new ATOM 0 HB VAL A 15 33.435 24.830 16.713 1.00 0.00 H new ATOM 0 HG11 VAL A 15 32.871 27.207 16.388 1.00 0.00 H new ATOM 0 HG12 VAL A 15 32.962 26.292 14.864 1.00 0.00 H new ATOM 0 HG13 VAL A 15 31.377 26.718 15.554 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.240 26.143 18.465 1.00 0.00 H new ATOM 0 HG22 VAL A 15 30.694 25.516 17.844 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.888 24.401 18.549 1.00 0.00 H new ATOM 257 N SER A 16 29.415 23.788 16.516 1.00 0.00 N ATOM 258 CA SER A 16 27.945 23.855 16.533 1.00 0.00 C ATOM 259 C SER A 16 27.477 24.393 17.891 1.00 0.00 C ATOM 260 O SER A 16 28.247 24.367 18.856 1.00 0.00 O ATOM 261 CB SER A 16 27.330 22.463 16.309 1.00 0.00 C ATOM 262 OG SER A 16 27.829 21.857 15.135 1.00 0.00 O ATOM 0 H SER A 16 29.780 23.441 17.403 1.00 0.00 H new ATOM 0 HA SER A 16 27.621 24.517 15.730 1.00 0.00 H new ATOM 0 HB2 SER A 16 27.546 21.827 17.167 1.00 0.00 H new ATOM 0 HB3 SER A 16 26.246 22.550 16.241 1.00 0.00 H new ATOM 0 HG SER A 16 27.419 20.974 15.023 1.00 0.00 H new ATOM 268 N LYS A 17 26.214 24.830 18.014 1.00 0.00 N ATOM 269 CA LYS A 17 25.619 25.333 19.276 1.00 0.00 C ATOM 270 C LYS A 17 25.849 24.395 20.466 1.00 0.00 C ATOM 271 O LYS A 17 26.054 24.856 21.581 1.00 0.00 O ATOM 272 CB LYS A 17 24.107 25.534 19.103 1.00 0.00 C ATOM 273 CG LYS A 17 23.759 26.701 18.166 1.00 0.00 C ATOM 274 CD LYS A 17 22.245 26.882 18.003 1.00 0.00 C ATOM 275 CE LYS A 17 21.564 25.643 17.414 1.00 0.00 C ATOM 276 NZ LYS A 17 20.142 25.908 17.122 1.00 0.00 N ATOM 0 H LYS A 17 25.561 24.847 17.230 1.00 0.00 H new ATOM 0 HA LYS A 17 26.118 26.278 19.492 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.667 24.617 18.711 1.00 0.00 H new ATOM 0 HB3 LYS A 17 23.656 25.712 20.079 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.193 27.621 18.558 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.210 26.527 17.189 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.803 27.108 18.973 1.00 0.00 H new ATOM 0 HD3 LYS A 17 22.053 27.739 17.358 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.076 25.342 16.500 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.646 24.811 18.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.704 25.053 16.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.651 26.172 18.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 20.068 26.686 16.436 1.00 0.00 H new ATOM 290 N GLU A 18 25.898 23.091 20.207 1.00 0.00 N ATOM 291 CA GLU A 18 26.210 22.040 21.180 1.00 0.00 C ATOM 292 C GLU A 18 27.480 22.311 22.006 1.00 0.00 C ATOM 293 O GLU A 18 27.502 22.012 23.198 1.00 0.00 O ATOM 294 CB GLU A 18 26.384 20.707 20.429 1.00 0.00 C ATOM 295 CG GLU A 18 25.194 20.327 19.537 1.00 0.00 C ATOM 296 CD GLU A 18 23.891 20.294 20.329 1.00 0.00 C ATOM 297 OE1 GLU A 18 23.662 19.307 21.066 1.00 0.00 O ATOM 298 OE2 GLU A 18 23.109 21.273 20.288 1.00 0.00 O ATOM 0 H GLU A 18 25.714 22.719 19.275 1.00 0.00 H new ATOM 0 HA GLU A 18 25.379 22.009 21.884 1.00 0.00 H new ATOM 0 HB2 GLU A 18 27.281 20.764 19.813 1.00 0.00 H new ATOM 0 HB3 GLU A 18 26.547 19.912 21.156 1.00 0.00 H new ATOM 0 HG2 GLU A 18 25.107 21.043 18.720 1.00 0.00 H new ATOM 0 HG3 GLU A 18 25.372 19.350 19.087 1.00 0.00 H new ATOM 305 N ASP A 19 28.515 22.905 21.406 1.00 0.00 N ATOM 306 CA ASP A 19 29.790 23.202 22.068 1.00 0.00 C ATOM 307 C ASP A 19 29.688 24.431 22.986 1.00 0.00 C ATOM 308 O ASP A 19 30.175 24.421 24.114 1.00 0.00 O ATOM 309 CB ASP A 19 30.837 23.418 20.973 1.00 0.00 C ATOM 310 CG ASP A 19 32.271 23.361 21.492 1.00 0.00 C ATOM 311 OD1 ASP A 19 32.687 22.316 22.047 1.00 0.00 O ATOM 312 OD2 ASP A 19 33.051 24.308 21.264 1.00 0.00 O ATOM 0 H ASP A 19 28.491 23.199 20.429 1.00 0.00 H new ATOM 0 HA ASP A 19 30.074 22.369 22.711 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.707 22.660 20.200 1.00 0.00 H new ATOM 0 HB3 ASP A 19 30.666 24.386 20.502 1.00 0.00 H new ATOM 317 N LEU A 20 28.962 25.462 22.549 1.00 0.00 N ATOM 318 CA LEU A 20 28.615 26.614 23.390 1.00 0.00 C ATOM 319 C LEU A 20 27.738 26.166 24.573 1.00 0.00 C ATOM 320 O LEU A 20 27.967 26.597 25.702 1.00 0.00 O ATOM 321 CB LEU A 20 27.923 27.684 22.514 1.00 0.00 C ATOM 322 CG LEU A 20 28.844 28.709 21.823 1.00 0.00 C ATOM 323 CD1 LEU A 20 29.323 29.762 22.817 1.00 0.00 C ATOM 324 CD2 LEU A 20 30.064 28.083 21.140 1.00 0.00 C ATOM 0 H LEU A 20 28.596 25.524 21.599 1.00 0.00 H new ATOM 0 HA LEU A 20 29.515 27.056 23.817 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.344 27.173 21.745 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.214 28.229 23.137 1.00 0.00 H new ATOM 0 HG LEU A 20 28.233 29.165 21.044 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.971 30.475 22.308 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.463 30.287 23.234 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.877 29.278 23.621 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.663 28.867 20.677 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.665 27.556 21.881 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.732 27.380 20.376 1.00 0.00 H new ATOM 336 N PHE A 21 26.803 25.242 24.335 1.00 0.00 N ATOM 337 CA PHE A 21 25.898 24.678 25.339 1.00 0.00 C ATOM 338 C PHE A 21 26.614 23.762 26.346 1.00 0.00 C ATOM 339 O PHE A 21 26.274 23.770 27.534 1.00 0.00 O ATOM 340 CB PHE A 21 24.789 23.919 24.595 1.00 0.00 C ATOM 341 CG PHE A 21 23.581 23.550 25.433 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.583 22.379 26.214 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.426 24.353 25.385 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.435 22.010 26.936 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.274 23.974 26.093 1.00 0.00 C ATOM 346 CZ PHE A 21 21.274 22.801 26.869 1.00 0.00 C ATOM 0 H PHE A 21 26.650 24.853 23.405 1.00 0.00 H new ATOM 0 HA PHE A 21 25.481 25.491 25.933 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.455 24.528 23.755 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.214 23.006 24.178 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.469 21.763 26.259 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.426 25.262 24.802 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.444 21.117 27.544 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.385 24.585 26.041 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.387 22.509 27.411 1.00 0.00 H new ATOM 356 N ARG A 22 27.618 22.980 25.907 1.00 0.00 N ATOM 357 CA ARG A 22 28.434 22.150 26.816 1.00 0.00 C ATOM 358 C ARG A 22 29.321 23.016 27.699 1.00 0.00 C ATOM 359 O ARG A 22 29.484 22.698 28.877 1.00 0.00 O ATOM 360 CB ARG A 22 29.171 21.010 26.072 1.00 0.00 C ATOM 361 CG ARG A 22 30.573 21.286 25.489 1.00 0.00 C ATOM 362 CD ARG A 22 31.705 21.089 26.510 1.00 0.00 C ATOM 363 NE ARG A 22 33.015 21.530 25.997 1.00 0.00 N ATOM 364 CZ ARG A 22 34.052 21.925 26.719 1.00 0.00 C ATOM 365 NH1 ARG A 22 34.029 21.996 28.014 1.00 0.00 N ATOM 366 NH2 ARG A 22 35.165 22.267 26.151 1.00 0.00 N ATOM 0 H ARG A 22 27.885 22.905 24.925 1.00 0.00 H new ATOM 0 HA ARG A 22 27.764 21.628 27.499 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.260 20.170 26.761 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.531 20.684 25.252 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.742 20.626 24.638 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.607 22.308 25.111 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.470 21.643 27.419 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.762 20.036 26.784 1.00 0.00 H new ATOM 0 HE ARG A 22 33.134 21.531 24.984 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.183 21.741 28.524 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.857 22.307 28.522 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.250 22.234 25.135 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.956 22.569 26.720 1.00 0.00 H new ATOM 380 N ILE A 23 29.835 24.124 27.160 1.00 0.00 N ATOM 381 CA ILE A 23 30.528 25.166 27.924 1.00 0.00 C ATOM 382 C ILE A 23 29.539 25.791 28.924 1.00 0.00 C ATOM 383 O ILE A 23 29.571 25.408 30.093 1.00 0.00 O ATOM 384 CB ILE A 23 31.249 26.157 26.973 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.419 25.437 26.256 1.00 0.00 C ATOM 386 CG2 ILE A 23 31.785 27.394 27.717 1.00 0.00 C ATOM 387 CD1 ILE A 23 32.974 26.199 25.044 1.00 0.00 C ATOM 0 H ILE A 23 29.781 24.327 26.162 1.00 0.00 H new ATOM 0 HA ILE A 23 31.336 24.751 28.526 1.00 0.00 H new ATOM 0 HB ILE A 23 30.515 26.502 26.245 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.226 25.276 26.971 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.081 24.453 25.930 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.281 28.058 27.009 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.957 27.922 28.190 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.497 27.079 28.480 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.789 25.629 24.598 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.183 26.337 24.307 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.345 27.172 25.365 1.00 0.00 H new ATOM 399 N PHE A 24 28.623 26.672 28.498 1.00 0.00 N ATOM 400 CA PHE A 24 27.644 27.320 29.384 1.00 0.00 C ATOM 401 C PHE A 24 26.195 27.015 28.974 1.00 0.00 C ATOM 402 O PHE A 24 25.725 27.398 27.908 1.00 0.00 O ATOM 403 CB PHE A 24 27.834 28.848 29.457 1.00 0.00 C ATOM 404 CG PHE A 24 29.109 29.435 30.044 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.119 28.652 30.635 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.275 30.831 29.995 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.329 29.237 31.034 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.468 31.423 30.444 1.00 0.00 C ATOM 409 CZ PHE A 24 31.512 30.619 30.915 1.00 0.00 C ATOM 0 H PHE A 24 28.540 26.957 27.522 1.00 0.00 H new ATOM 0 HA PHE A 24 27.829 26.897 30.371 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.738 29.234 28.442 1.00 0.00 H new ATOM 0 HB3 PHE A 24 26.999 29.250 30.031 1.00 0.00 H new ATOM 0 HD1 PHE A 24 29.961 27.594 30.782 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.480 31.452 29.610 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.121 28.620 31.434 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.579 32.497 30.426 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.458 31.065 31.186 1.00 0.00 H new ATOM 419 N SER A 25 25.449 26.418 29.900 1.00 0.00 N ATOM 420 CA SER A 25 23.984 26.308 29.861 1.00 0.00 C ATOM 421 C SER A 25 23.349 26.215 31.265 1.00 0.00 C ATOM 422 O SER A 25 22.337 26.885 31.500 1.00 0.00 O ATOM 423 CB SER A 25 23.577 25.123 28.979 1.00 0.00 C ATOM 424 OG SER A 25 22.186 25.148 28.745 1.00 0.00 O ATOM 0 H SER A 25 25.856 25.982 30.727 1.00 0.00 H new ATOM 0 HA SER A 25 23.596 27.228 29.424 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.114 25.164 28.031 1.00 0.00 H new ATOM 0 HB3 SER A 25 23.855 24.187 29.463 1.00 0.00 H new ATOM 0 HG SER A 25 21.959 24.491 28.054 1.00 0.00 H new ATOM 430 N PRO A 26 23.931 25.507 32.263 1.00 0.00 N ATOM 431 CA PRO A 26 23.389 25.468 33.625 1.00 0.00 C ATOM 432 C PRO A 26 23.846 26.675 34.468 1.00 0.00 C ATOM 433 O PRO A 26 24.281 26.518 35.609 1.00 0.00 O ATOM 434 CB PRO A 26 23.822 24.109 34.180 1.00 0.00 C ATOM 435 CG PRO A 26 25.195 23.912 33.553 1.00 0.00 C ATOM 436 CD PRO A 26 25.030 24.542 32.171 1.00 0.00 C ATOM 0 HA PRO A 26 22.303 25.558 33.647 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.871 24.114 35.269 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.130 23.317 33.896 1.00 0.00 H new ATOM 0 HG2 PRO A 26 25.978 24.404 34.131 1.00 0.00 H new ATOM 0 HG3 PRO A 26 25.462 22.857 33.487 1.00 0.00 H new ATOM 0 HD2 PRO A 26 25.951 25.036 31.861 1.00 0.00 H new ATOM 0 HD3 PRO A 26 24.811 23.779 31.424 1.00 0.00 H new ATOM 444 N TYR A 27 23.770 27.887 33.916 1.00 0.00 N ATOM 445 CA TYR A 27 24.194 29.129 34.575 1.00 0.00 C ATOM 446 C TYR A 27 23.149 30.236 34.412 1.00 0.00 C ATOM 447 O TYR A 27 22.490 30.325 33.373 1.00 0.00 O ATOM 448 CB TYR A 27 25.556 29.586 34.031 1.00 0.00 C ATOM 449 CG TYR A 27 26.667 28.579 34.253 1.00 0.00 C ATOM 450 CD1 TYR A 27 27.336 28.536 35.492 1.00 0.00 C ATOM 451 CD2 TYR A 27 27.006 27.669 33.234 1.00 0.00 C ATOM 452 CE1 TYR A 27 28.332 27.567 35.721 1.00 0.00 C ATOM 453 CE2 TYR A 27 27.999 26.695 33.458 1.00 0.00 C ATOM 454 CZ TYR A 27 28.652 26.639 34.708 1.00 0.00 C ATOM 455 OH TYR A 27 29.577 25.678 34.952 1.00 0.00 O ATOM 0 H TYR A 27 23.404 28.039 32.976 1.00 0.00 H new ATOM 0 HA TYR A 27 24.293 28.924 35.641 1.00 0.00 H new ATOM 0 HB2 TYR A 27 25.464 29.783 32.963 1.00 0.00 H new ATOM 0 HB3 TYR A 27 25.830 30.528 34.506 1.00 0.00 H new ATOM 0 HD1 TYR A 27 27.085 29.246 36.266 1.00 0.00 H new ATOM 0 HD2 TYR A 27 26.504 27.718 32.279 1.00 0.00 H new ATOM 0 HE1 TYR A 27 28.849 27.535 36.669 1.00 0.00 H new ATOM 0 HE2 TYR A 27 28.259 25.995 32.678 1.00 0.00 H new ATOM 0 HH TYR A 27 29.684 25.117 34.155 1.00 0.00 H new ATOM 465 N GLY A 28 23.019 31.076 35.436 1.00 0.00 N ATOM 466 CA GLY A 28 22.275 32.332 35.378 1.00 0.00 C ATOM 467 C GLY A 28 20.794 32.200 35.054 1.00 0.00 C ATOM 468 O GLY A 28 20.170 31.159 35.266 1.00 0.00 O ATOM 0 H GLY A 28 23.437 30.899 36.349 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.376 32.839 36.338 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.738 32.974 34.628 1.00 0.00 H new ATOM 472 N HIS A 29 20.239 33.280 34.507 1.00 0.00 N ATOM 473 CA HIS A 29 18.833 33.358 34.113 1.00 0.00 C ATOM 474 C HIS A 29 18.622 33.090 32.609 1.00 0.00 C ATOM 475 O HIS A 29 17.480 33.049 32.164 1.00 0.00 O ATOM 476 CB HIS A 29 18.260 34.680 34.649 1.00 0.00 C ATOM 477 CG HIS A 29 16.781 34.854 34.432 1.00 0.00 C ATOM 478 ND1 HIS A 29 16.192 35.754 33.542 1.00 0.00 N ATOM 479 CD2 HIS A 29 15.798 34.169 35.079 1.00 0.00 C ATOM 480 CE1 HIS A 29 14.866 35.568 33.655 1.00 0.00 C ATOM 481 NE2 HIS A 29 14.602 34.629 34.578 1.00 0.00 N ATOM 0 H HIS A 29 20.760 34.137 34.322 1.00 0.00 H new ATOM 0 HA HIS A 29 18.257 32.552 34.568 1.00 0.00 H new ATOM 0 HB2 HIS A 29 18.467 34.744 35.717 1.00 0.00 H new ATOM 0 HB3 HIS A 29 18.784 35.508 34.172 1.00 0.00 H new ATOM 0 HD2 HIS A 29 15.931 33.412 35.838 1.00 0.00 H new ATOM 0 HE1 HIS A 29 14.118 36.099 33.084 1.00 0.00 H new ATOM 0 HE2 HIS A 29 13.674 34.311 34.859 1.00 0.00 H new ATOM 489 N ILE A 30 19.698 32.807 31.854 1.00 0.00 N ATOM 490 CA ILE A 30 19.711 32.428 30.421 1.00 0.00 C ATOM 491 C ILE A 30 19.125 33.509 29.488 1.00 0.00 C ATOM 492 O ILE A 30 18.691 34.554 29.960 1.00 0.00 O ATOM 493 CB ILE A 30 19.116 30.999 30.243 1.00 0.00 C ATOM 494 CG1 ILE A 30 19.997 30.089 29.366 1.00 0.00 C ATOM 495 CG2 ILE A 30 17.686 30.959 29.676 1.00 0.00 C ATOM 496 CD1 ILE A 30 21.277 29.652 30.082 1.00 0.00 C ATOM 0 H ILE A 30 20.639 32.837 32.246 1.00 0.00 H new ATOM 0 HA ILE A 30 20.747 32.376 30.087 1.00 0.00 H new ATOM 0 HB ILE A 30 19.086 30.626 31.267 1.00 0.00 H new ATOM 0 HG12 ILE A 30 19.427 29.207 29.075 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.259 30.616 28.448 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.358 29.923 29.588 1.00 0.00 H new ATOM 0 HG22 ILE A 30 17.014 31.497 30.345 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.671 31.429 28.693 1.00 0.00 H new ATOM 0 HD11 ILE A 30 21.863 29.013 29.422 1.00 0.00 H new ATOM 0 HD12 ILE A 30 21.863 30.532 30.349 1.00 0.00 H new ATOM 0 HD13 ILE A 30 21.018 29.100 30.986 1.00 0.00 H new ATOM 508 N MET A 31 19.176 33.319 28.167 1.00 0.00 N ATOM 509 CA MET A 31 18.337 34.018 27.167 1.00 0.00 C ATOM 510 C MET A 31 18.446 33.283 25.817 1.00 0.00 C ATOM 511 O MET A 31 17.529 32.558 25.425 1.00 0.00 O ATOM 512 CB MET A 31 18.704 35.515 27.000 1.00 0.00 C ATOM 513 CG MET A 31 17.795 36.528 27.702 1.00 0.00 C ATOM 514 SD MET A 31 18.121 38.247 27.214 1.00 0.00 S ATOM 515 CE MET A 31 19.805 38.516 27.826 1.00 0.00 C ATOM 0 H MET A 31 19.821 32.654 27.741 1.00 0.00 H new ATOM 0 HA MET A 31 17.309 33.999 27.530 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.721 35.659 27.366 1.00 0.00 H new ATOM 0 HB3 MET A 31 18.713 35.747 25.935 1.00 0.00 H new ATOM 0 HG2 MET A 31 16.755 36.286 27.482 1.00 0.00 H new ATOM 0 HG3 MET A 31 17.922 36.434 28.780 1.00 0.00 H new ATOM 0 HE1 MET A 31 20.087 39.557 27.669 1.00 0.00 H new ATOM 0 HE2 MET A 31 19.846 38.286 28.891 1.00 0.00 H new ATOM 0 HE3 MET A 31 20.496 37.867 27.287 1.00 0.00 H new ATOM 525 N GLN A 32 19.581 33.414 25.121 1.00 0.00 N ATOM 526 CA GLN A 32 19.805 32.865 23.780 1.00 0.00 C ATOM 527 C GLN A 32 21.250 32.378 23.581 1.00 0.00 C ATOM 528 O GLN A 32 22.193 32.857 24.211 1.00 0.00 O ATOM 529 CB GLN A 32 19.385 33.930 22.744 1.00 0.00 C ATOM 530 CG GLN A 32 19.482 33.545 21.254 1.00 0.00 C ATOM 531 CD GLN A 32 18.659 32.339 20.804 1.00 0.00 C ATOM 532 OE1 GLN A 32 17.994 31.659 21.578 1.00 0.00 O ATOM 533 NE2 GLN A 32 18.699 32.014 19.535 1.00 0.00 N ATOM 0 H GLN A 32 20.390 33.918 25.485 1.00 0.00 H new ATOM 0 HA GLN A 32 19.192 31.974 23.644 1.00 0.00 H new ATOM 0 HB2 GLN A 32 18.354 34.215 22.952 1.00 0.00 H new ATOM 0 HB3 GLN A 32 19.999 34.816 22.904 1.00 0.00 H new ATOM 0 HG2 GLN A 32 19.178 34.406 20.659 1.00 0.00 H new ATOM 0 HG3 GLN A 32 20.529 33.350 21.020 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.249 32.573 18.883 1.00 0.00 H new ATOM 0 HE22 GLN A 32 18.180 31.202 19.200 1.00 0.00 H new ATOM 542 N ILE A 33 21.415 31.415 22.677 1.00 0.00 N ATOM 543 CA ILE A 33 22.687 30.802 22.285 1.00 0.00 C ATOM 544 C ILE A 33 22.891 30.972 20.775 1.00 0.00 C ATOM 545 O ILE A 33 21.977 30.681 20.004 1.00 0.00 O ATOM 546 CB ILE A 33 22.710 29.326 22.756 1.00 0.00 C ATOM 547 CG1 ILE A 33 24.016 28.633 22.322 1.00 0.00 C ATOM 548 CG2 ILE A 33 21.479 28.511 22.301 1.00 0.00 C ATOM 549 CD1 ILE A 33 24.243 27.302 23.045 1.00 0.00 C ATOM 0 H ILE A 33 20.624 31.018 22.170 1.00 0.00 H new ATOM 0 HA ILE A 33 23.529 31.297 22.768 1.00 0.00 H new ATOM 0 HB ILE A 33 22.666 29.357 23.845 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.991 28.459 21.246 1.00 0.00 H new ATOM 0 HG13 ILE A 33 24.858 29.297 22.517 1.00 0.00 H new ATOM 0 HG21 ILE A 33 21.564 27.488 22.667 1.00 0.00 H new ATOM 0 HG22 ILE A 33 20.573 28.966 22.702 1.00 0.00 H new ATOM 0 HG23 ILE A 33 21.430 28.504 21.212 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.177 26.856 22.702 1.00 0.00 H new ATOM 0 HD12 ILE A 33 24.297 27.476 24.120 1.00 0.00 H new ATOM 0 HD13 ILE A 33 23.417 26.625 22.829 1.00 0.00 H new ATOM 561 N ASN A 34 24.067 31.443 20.349 1.00 0.00 N ATOM 562 CA ASN A 34 24.414 31.656 18.944 1.00 0.00 C ATOM 563 C ASN A 34 25.814 31.109 18.597 1.00 0.00 C ATOM 564 O ASN A 34 26.746 31.128 19.405 1.00 0.00 O ATOM 565 CB ASN A 34 24.260 33.152 18.605 1.00 0.00 C ATOM 566 CG ASN A 34 24.666 33.458 17.178 1.00 0.00 C ATOM 567 OD1 ASN A 34 25.697 34.050 16.906 1.00 0.00 O ATOM 568 ND2 ASN A 34 23.885 33.016 16.225 1.00 0.00 N ATOM 0 H ASN A 34 24.821 31.692 20.989 1.00 0.00 H new ATOM 0 HA ASN A 34 23.724 31.087 18.320 1.00 0.00 H new ATOM 0 HB2 ASN A 34 23.224 33.453 18.759 1.00 0.00 H new ATOM 0 HB3 ASN A 34 24.869 33.743 19.289 1.00 0.00 H new ATOM 0 HD21 ASN A 34 24.137 33.166 15.248 1.00 0.00 H new ATOM 0 HD22 ASN A 34 23.024 32.522 16.459 1.00 0.00 H new ATOM 575 N ILE A 35 25.962 30.620 17.369 1.00 0.00 N ATOM 576 CA ILE A 35 27.196 30.046 16.835 1.00 0.00 C ATOM 577 C ILE A 35 27.421 30.491 15.386 1.00 0.00 C ATOM 578 O ILE A 35 26.466 30.692 14.629 1.00 0.00 O ATOM 579 CB ILE A 35 27.162 28.505 17.028 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.329 28.039 17.918 1.00 0.00 C ATOM 581 CG2 ILE A 35 27.051 27.690 15.728 1.00 0.00 C ATOM 582 CD1 ILE A 35 29.724 28.262 17.334 1.00 0.00 C ATOM 0 H ILE A 35 25.199 30.612 16.693 1.00 0.00 H new ATOM 0 HA ILE A 35 28.061 30.418 17.384 1.00 0.00 H new ATOM 0 HB ILE A 35 26.226 28.294 17.546 1.00 0.00 H new ATOM 0 HG12 ILE A 35 28.266 28.559 18.874 1.00 0.00 H new ATOM 0 HG13 ILE A 35 28.205 26.976 18.125 1.00 0.00 H new ATOM 0 HG21 ILE A 35 27.034 26.626 15.966 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.132 27.960 15.207 1.00 0.00 H new ATOM 0 HG23 ILE A 35 27.907 27.906 15.089 1.00 0.00 H new ATOM 0 HD11 ILE A 35 30.475 27.901 18.037 1.00 0.00 H new ATOM 0 HD12 ILE A 35 29.816 27.719 16.394 1.00 0.00 H new ATOM 0 HD13 ILE A 35 29.877 29.326 17.155 1.00 0.00 H new ATOM 594 N LYS A 36 28.687 30.617 14.985 1.00 0.00 N ATOM 595 CA LYS A 36 29.125 30.892 13.614 1.00 0.00 C ATOM 596 C LYS A 36 30.313 29.985 13.257 1.00 0.00 C ATOM 597 O LYS A 36 30.722 29.124 14.033 1.00 0.00 O ATOM 598 CB LYS A 36 29.451 32.398 13.484 1.00 0.00 C ATOM 599 CG LYS A 36 29.038 32.993 12.124 1.00 0.00 C ATOM 600 CD LYS A 36 27.525 33.210 11.968 1.00 0.00 C ATOM 601 CE LYS A 36 27.029 34.443 12.737 1.00 0.00 C ATOM 602 NZ LYS A 36 25.587 34.674 12.497 1.00 0.00 N ATOM 0 H LYS A 36 29.469 30.526 15.634 1.00 0.00 H new ATOM 0 HA LYS A 36 28.334 30.666 12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.944 32.943 14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 36 30.521 32.545 13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.547 33.947 11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.383 32.331 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.284 33.323 10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.995 32.326 12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.206 34.306 13.804 1.00 0.00 H new ATOM 0 HE3 LYS A 36 27.598 35.321 12.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 25.277 35.513 13.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 25.424 34.827 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 25.045 33.844 12.813 1.00 0.00 H new ATOM 616 N ASN A 37 30.870 30.169 12.066 1.00 0.00 N ATOM 617 CA ASN A 37 32.081 29.484 11.625 1.00 0.00 C ATOM 618 C ASN A 37 33.293 29.915 12.480 1.00 0.00 C ATOM 619 O ASN A 37 33.598 31.100 12.559 1.00 0.00 O ATOM 620 CB ASN A 37 32.255 29.786 10.127 1.00 0.00 C ATOM 621 CG ASN A 37 32.443 31.267 9.832 1.00 0.00 C ATOM 622 OD1 ASN A 37 31.503 32.051 9.860 1.00 0.00 O ATOM 623 ND2 ASN A 37 33.640 31.688 9.518 1.00 0.00 N ATOM 0 H ASN A 37 30.488 30.808 11.368 1.00 0.00 H new ATOM 0 HA ASN A 37 32.003 28.405 11.760 1.00 0.00 H new ATOM 0 HB2 ASN A 37 33.116 29.235 9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 37 31.382 29.422 9.586 1.00 0.00 H new ATOM 0 HD21 ASN A 37 33.793 32.672 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 37 34.421 31.033 9.495 1.00 0.00 H new ATOM 630 N ALA A 38 33.985 28.967 13.125 1.00 0.00 N ATOM 631 CA ALA A 38 35.192 29.206 13.936 1.00 0.00 C ATOM 632 C ALA A 38 35.085 30.241 15.093 1.00 0.00 C ATOM 633 O ALA A 38 36.104 30.598 15.691 1.00 0.00 O ATOM 634 CB ALA A 38 36.367 29.490 12.988 1.00 0.00 C ATOM 0 H ALA A 38 33.715 27.984 13.098 1.00 0.00 H new ATOM 0 HA ALA A 38 35.356 28.289 14.501 1.00 0.00 H new ATOM 0 HB1 ALA A 38 37.270 29.670 13.571 1.00 0.00 H new ATOM 0 HB2 ALA A 38 36.522 28.632 12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 38 36.144 30.370 12.385 1.00 0.00 H new ATOM 640 N PHE A 39 33.889 30.722 15.447 1.00 0.00 N ATOM 641 CA PHE A 39 33.618 31.554 16.630 1.00 0.00 C ATOM 642 C PHE A 39 32.142 31.453 17.044 1.00 0.00 C ATOM 643 O PHE A 39 31.285 31.130 16.225 1.00 0.00 O ATOM 644 CB PHE A 39 34.013 33.022 16.382 1.00 0.00 C ATOM 645 CG PHE A 39 33.229 33.760 15.308 1.00 0.00 C ATOM 646 CD1 PHE A 39 32.005 34.378 15.626 1.00 0.00 C ATOM 647 CD2 PHE A 39 33.732 33.853 13.996 1.00 0.00 C ATOM 648 CE1 PHE A 39 31.288 35.076 14.640 1.00 0.00 C ATOM 649 CE2 PHE A 39 33.020 34.561 13.011 1.00 0.00 C ATOM 650 CZ PHE A 39 31.800 35.179 13.335 1.00 0.00 C ATOM 0 H PHE A 39 33.049 30.537 14.898 1.00 0.00 H new ATOM 0 HA PHE A 39 34.230 31.175 17.448 1.00 0.00 H new ATOM 0 HB2 PHE A 39 33.906 33.568 17.319 1.00 0.00 H new ATOM 0 HB3 PHE A 39 35.069 33.051 16.115 1.00 0.00 H new ATOM 0 HD1 PHE A 39 31.616 34.315 16.631 1.00 0.00 H new ATOM 0 HD2 PHE A 39 34.669 33.378 13.745 1.00 0.00 H new ATOM 0 HE1 PHE A 39 30.341 35.534 14.885 1.00 0.00 H new ATOM 0 HE2 PHE A 39 33.411 34.630 12.006 1.00 0.00 H new ATOM 0 HZ PHE A 39 31.257 35.732 12.583 1.00 0.00 H new ATOM 660 N GLY A 40 31.824 31.752 18.305 1.00 0.00 N ATOM 661 CA GLY A 40 30.451 31.697 18.822 1.00 0.00 C ATOM 662 C GLY A 40 30.187 32.715 19.929 1.00 0.00 C ATOM 663 O GLY A 40 31.125 33.242 20.531 1.00 0.00 O ATOM 0 H GLY A 40 32.512 32.040 19.000 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.753 31.871 18.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.252 30.695 19.203 1.00 0.00 H new ATOM 667 N PHE A 41 28.904 32.981 20.172 1.00 0.00 N ATOM 668 CA PHE A 41 28.425 33.980 21.123 1.00 0.00 C ATOM 669 C PHE A 41 27.201 33.463 21.888 1.00 0.00 C ATOM 670 O PHE A 41 26.132 33.245 21.324 1.00 0.00 O ATOM 671 CB PHE A 41 28.086 35.287 20.390 1.00 0.00 C ATOM 672 CG PHE A 41 29.283 36.141 20.009 1.00 0.00 C ATOM 673 CD1 PHE A 41 29.910 35.976 18.758 1.00 0.00 C ATOM 674 CD2 PHE A 41 29.739 37.140 20.894 1.00 0.00 C ATOM 675 CE1 PHE A 41 30.975 36.818 18.388 1.00 0.00 C ATOM 676 CE2 PHE A 41 30.791 37.994 20.517 1.00 0.00 C ATOM 677 CZ PHE A 41 31.401 37.837 19.258 1.00 0.00 C ATOM 0 H PHE A 41 28.146 32.491 19.697 1.00 0.00 H new ATOM 0 HA PHE A 41 29.218 34.176 21.845 1.00 0.00 H new ATOM 0 HB2 PHE A 41 27.530 35.044 19.485 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.424 35.879 21.022 1.00 0.00 H new ATOM 0 HD1 PHE A 41 29.573 35.203 18.083 1.00 0.00 H new ATOM 0 HD2 PHE A 41 29.279 37.250 21.865 1.00 0.00 H new ATOM 0 HE1 PHE A 41 31.465 36.681 17.435 1.00 0.00 H new ATOM 0 HE2 PHE A 41 31.130 38.767 21.191 1.00 0.00 H new ATOM 0 HZ PHE A 41 32.199 38.501 18.960 1.00 0.00 H new ATOM 687 N ILE A 42 27.320 33.316 23.202 1.00 0.00 N ATOM 688 CA ILE A 42 26.159 33.145 24.089 1.00 0.00 C ATOM 689 C ILE A 42 25.652 34.527 24.517 1.00 0.00 C ATOM 690 O ILE A 42 26.447 35.452 24.643 1.00 0.00 O ATOM 691 CB ILE A 42 26.532 32.172 25.233 1.00 0.00 C ATOM 692 CG1 ILE A 42 25.993 30.778 24.854 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.034 32.615 26.617 1.00 0.00 C ATOM 694 CD1 ILE A 42 26.546 29.638 25.710 1.00 0.00 C ATOM 0 H ILE A 42 28.217 33.311 23.688 1.00 0.00 H new ATOM 0 HA ILE A 42 25.313 32.675 23.587 1.00 0.00 H new ATOM 0 HB ILE A 42 27.617 32.156 25.333 1.00 0.00 H new ATOM 0 HG12 ILE A 42 24.906 30.786 24.938 1.00 0.00 H new ATOM 0 HG13 ILE A 42 26.231 30.581 23.809 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.335 31.881 27.364 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.466 33.584 26.866 1.00 0.00 H new ATOM 0 HG23 ILE A 42 24.947 32.694 26.604 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.117 28.693 25.378 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.631 29.600 25.608 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.285 29.808 26.755 1.00 0.00 H new ATOM 706 N GLN A 43 24.351 34.690 24.752 1.00 0.00 N ATOM 707 CA GLN A 43 23.754 35.951 25.201 1.00 0.00 C ATOM 708 C GLN A 43 22.725 35.662 26.299 1.00 0.00 C ATOM 709 O GLN A 43 21.607 35.256 26.000 1.00 0.00 O ATOM 710 CB GLN A 43 23.165 36.679 23.980 1.00 0.00 C ATOM 711 CG GLN A 43 22.679 38.097 24.304 1.00 0.00 C ATOM 712 CD GLN A 43 22.100 38.759 23.063 1.00 0.00 C ATOM 713 OE1 GLN A 43 20.938 38.578 22.724 1.00 0.00 O ATOM 714 NE2 GLN A 43 22.879 39.499 22.308 1.00 0.00 N ATOM 0 H GLN A 43 23.670 33.940 24.635 1.00 0.00 H new ATOM 0 HA GLN A 43 24.499 36.614 25.642 1.00 0.00 H new ATOM 0 HB2 GLN A 43 23.920 36.730 23.195 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.333 36.097 23.584 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.923 38.058 25.089 1.00 0.00 H new ATOM 0 HG3 GLN A 43 23.507 38.693 24.688 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.850 39.658 22.578 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.514 39.915 21.451 1.00 0.00 H new ATOM 723 N PHE A 44 23.110 35.818 27.571 1.00 0.00 N ATOM 724 CA PHE A 44 22.345 35.373 28.748 1.00 0.00 C ATOM 725 C PHE A 44 22.035 36.517 29.730 1.00 0.00 C ATOM 726 O PHE A 44 22.773 37.496 29.834 1.00 0.00 O ATOM 727 CB PHE A 44 23.090 34.239 29.481 1.00 0.00 C ATOM 728 CG PHE A 44 23.221 32.874 28.809 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.452 32.494 27.686 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.123 31.942 29.361 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.609 31.221 27.107 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.273 30.666 28.787 1.00 0.00 C ATOM 733 CZ PHE A 44 23.523 30.308 27.656 1.00 0.00 C ATOM 0 H PHE A 44 23.989 36.271 27.820 1.00 0.00 H new ATOM 0 HA PHE A 44 21.390 35.003 28.374 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.097 34.595 29.698 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.593 34.086 30.439 1.00 0.00 H new ATOM 0 HD1 PHE A 44 21.737 33.187 27.268 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.704 32.209 30.231 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.026 30.946 26.240 1.00 0.00 H new ATOM 0 HE2 PHE A 44 24.967 29.960 29.218 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.649 29.333 27.209 1.00 0.00 H new ATOM 743 N ASP A 45 20.955 36.373 30.495 1.00 0.00 N ATOM 744 CA ASP A 45 20.677 37.169 31.693 1.00 0.00 C ATOM 745 C ASP A 45 21.463 36.614 32.909 1.00 0.00 C ATOM 746 O ASP A 45 21.778 35.422 32.962 1.00 0.00 O ATOM 747 CB ASP A 45 19.150 37.204 31.878 1.00 0.00 C ATOM 748 CG ASP A 45 18.623 38.256 32.857 1.00 0.00 C ATOM 749 OD1 ASP A 45 19.359 38.721 33.757 1.00 0.00 O ATOM 750 OD2 ASP A 45 17.463 38.691 32.695 1.00 0.00 O ATOM 0 H ASP A 45 20.230 35.683 30.296 1.00 0.00 H new ATOM 0 HA ASP A 45 21.023 38.198 31.592 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.689 37.376 30.906 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.821 36.222 32.217 1.00 0.00 H new ATOM 755 N ASN A 46 21.755 37.481 33.884 1.00 0.00 N ATOM 756 CA ASN A 46 22.723 37.340 34.982 1.00 0.00 C ATOM 757 C ASN A 46 24.206 37.327 34.515 1.00 0.00 C ATOM 758 O ASN A 46 24.844 36.269 34.527 1.00 0.00 O ATOM 759 CB ASN A 46 22.305 36.176 35.903 1.00 0.00 C ATOM 760 CG ASN A 46 23.129 36.084 37.173 1.00 0.00 C ATOM 761 OD1 ASN A 46 24.150 36.730 37.348 1.00 0.00 O ATOM 762 ND2 ASN A 46 22.725 35.237 38.085 1.00 0.00 N ATOM 0 H ASN A 46 21.278 38.381 33.931 1.00 0.00 H new ATOM 0 HA ASN A 46 22.690 38.243 35.591 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.254 36.293 36.169 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.393 35.239 35.354 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.263 35.116 38.943 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.872 34.698 37.938 1.00 0.00 H new ATOM 769 N PRO A 47 24.793 38.492 34.150 1.00 0.00 N ATOM 770 CA PRO A 47 26.222 38.625 33.816 1.00 0.00 C ATOM 771 C PRO A 47 27.179 38.066 34.879 1.00 0.00 C ATOM 772 O PRO A 47 28.201 37.481 34.523 1.00 0.00 O ATOM 773 CB PRO A 47 26.480 40.132 33.630 1.00 0.00 C ATOM 774 CG PRO A 47 25.272 40.817 34.266 1.00 0.00 C ATOM 775 CD PRO A 47 24.157 39.800 34.050 1.00 0.00 C ATOM 0 HA PRO A 47 26.423 38.037 32.921 1.00 0.00 H new ATOM 0 HB2 PRO A 47 27.408 40.437 34.114 1.00 0.00 H new ATOM 0 HB3 PRO A 47 26.571 40.390 32.575 1.00 0.00 H new ATOM 0 HG2 PRO A 47 25.434 41.022 35.324 1.00 0.00 H new ATOM 0 HG3 PRO A 47 25.049 41.770 33.787 1.00 0.00 H new ATOM 0 HD2 PRO A 47 23.373 39.913 34.799 1.00 0.00 H new ATOM 0 HD3 PRO A 47 23.688 39.934 33.075 1.00 0.00 H new ATOM 783 N GLN A 48 26.856 38.189 36.172 1.00 0.00 N ATOM 784 CA GLN A 48 27.724 37.697 37.246 1.00 0.00 C ATOM 785 C GLN A 48 27.865 36.169 37.212 1.00 0.00 C ATOM 786 O GLN A 48 28.972 35.659 37.370 1.00 0.00 O ATOM 787 CB GLN A 48 27.193 38.195 38.595 1.00 0.00 C ATOM 788 CG GLN A 48 28.122 37.817 39.758 1.00 0.00 C ATOM 789 CD GLN A 48 27.581 38.254 41.113 1.00 0.00 C ATOM 790 OE1 GLN A 48 26.702 39.101 41.240 1.00 0.00 O ATOM 791 NE2 GLN A 48 28.085 37.692 42.187 1.00 0.00 N ATOM 0 H GLN A 48 25.995 38.627 36.500 1.00 0.00 H new ATOM 0 HA GLN A 48 28.728 38.094 37.097 1.00 0.00 H new ATOM 0 HB2 GLN A 48 27.078 39.278 38.561 1.00 0.00 H new ATOM 0 HB3 GLN A 48 26.203 37.775 38.772 1.00 0.00 H new ATOM 0 HG2 GLN A 48 28.270 36.737 39.762 1.00 0.00 H new ATOM 0 HG3 GLN A 48 29.100 38.272 39.599 1.00 0.00 H new ATOM 0 HE21 GLN A 48 28.816 36.986 42.098 1.00 0.00 H new ATOM 0 HE22 GLN A 48 27.745 37.961 43.110 1.00 0.00 H new ATOM 800 N SER A 49 26.789 35.433 36.922 1.00 0.00 N ATOM 801 CA SER A 49 26.867 33.977 36.721 1.00 0.00 C ATOM 802 C SER A 49 27.720 33.585 35.509 1.00 0.00 C ATOM 803 O SER A 49 28.384 32.552 35.534 1.00 0.00 O ATOM 804 CB SER A 49 25.470 33.384 36.569 1.00 0.00 C ATOM 805 OG SER A 49 24.912 33.706 35.310 1.00 0.00 O ATOM 0 H SER A 49 25.850 35.819 36.820 1.00 0.00 H new ATOM 0 HA SER A 49 27.353 33.571 37.608 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.517 32.301 36.682 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.824 33.760 37.363 1.00 0.00 H new ATOM 0 HG SER A 49 24.767 34.674 35.254 1.00 0.00 H new ATOM 811 N VAL A 50 27.752 34.423 34.466 1.00 0.00 N ATOM 812 CA VAL A 50 28.579 34.213 33.270 1.00 0.00 C ATOM 813 C VAL A 50 30.051 34.472 33.601 1.00 0.00 C ATOM 814 O VAL A 50 30.896 33.649 33.256 1.00 0.00 O ATOM 815 CB VAL A 50 28.071 35.070 32.091 1.00 0.00 C ATOM 816 CG1 VAL A 50 28.884 34.856 30.810 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.614 34.735 31.741 1.00 0.00 C ATOM 0 H VAL A 50 27.197 35.278 34.428 1.00 0.00 H new ATOM 0 HA VAL A 50 28.496 33.174 32.951 1.00 0.00 H new ATOM 0 HB VAL A 50 28.172 36.101 32.430 1.00 0.00 H new ATOM 0 HG11 VAL A 50 28.482 35.484 30.015 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.925 35.122 30.991 1.00 0.00 H new ATOM 0 HG13 VAL A 50 28.824 33.809 30.511 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.288 35.356 30.907 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.539 33.684 31.461 1.00 0.00 H new ATOM 0 HG23 VAL A 50 25.979 34.926 32.606 1.00 0.00 H new ATOM 827 N ARG A 51 30.371 35.537 34.354 1.00 0.00 N ATOM 828 CA ARG A 51 31.715 35.760 34.923 1.00 0.00 C ATOM 829 C ARG A 51 32.152 34.595 35.814 1.00 0.00 C ATOM 830 O ARG A 51 33.275 34.115 35.685 1.00 0.00 O ATOM 831 CB ARG A 51 31.733 37.090 35.704 1.00 0.00 C ATOM 832 CG ARG A 51 33.046 37.364 36.459 1.00 0.00 C ATOM 833 CD ARG A 51 34.282 37.442 35.553 1.00 0.00 C ATOM 834 NE ARG A 51 35.498 37.662 36.355 1.00 0.00 N ATOM 835 CZ ARG A 51 35.954 38.806 36.825 1.00 0.00 C ATOM 836 NH1 ARG A 51 35.441 39.960 36.536 1.00 0.00 N ATOM 837 NH2 ARG A 51 36.971 38.801 37.626 1.00 0.00 N ATOM 0 H ARG A 51 29.704 36.272 34.588 1.00 0.00 H new ATOM 0 HA ARG A 51 32.430 35.818 34.103 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.550 37.909 35.008 1.00 0.00 H new ATOM 0 HB3 ARG A 51 30.910 37.089 36.419 1.00 0.00 H new ATOM 0 HG2 ARG A 51 32.950 38.302 37.006 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.199 36.578 37.198 1.00 0.00 H new ATOM 0 HD2 ARG A 51 34.379 36.520 34.981 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.162 38.252 34.834 1.00 0.00 H new ATOM 0 HE ARG A 51 36.051 36.833 36.572 1.00 0.00 H new ATOM 0 HH11 ARG A 51 34.637 40.019 35.911 1.00 0.00 H new ATOM 0 HH12 ARG A 51 35.841 40.810 36.933 1.00 0.00 H new ATOM 0 HH21 ARG A 51 37.410 37.918 37.887 1.00 0.00 H new ATOM 0 HH22 ARG A 51 37.333 39.680 37.996 1.00 0.00 H new ATOM 851 N ASP A 52 31.266 34.120 36.686 1.00 0.00 N ATOM 852 CA ASP A 52 31.529 32.991 37.577 1.00 0.00 C ATOM 853 C ASP A 52 31.801 31.692 36.805 1.00 0.00 C ATOM 854 O ASP A 52 32.712 30.938 37.144 1.00 0.00 O ATOM 855 CB ASP A 52 30.342 32.814 38.527 1.00 0.00 C ATOM 856 CG ASP A 52 30.666 31.775 39.590 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.621 31.995 40.362 1.00 0.00 O ATOM 858 OD2 ASP A 52 29.952 30.753 39.702 1.00 0.00 O ATOM 0 H ASP A 52 30.331 34.514 36.796 1.00 0.00 H new ATOM 0 HA ASP A 52 32.432 33.211 38.147 1.00 0.00 H new ATOM 0 HB2 ASP A 52 30.102 33.766 39.001 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.460 32.506 37.965 1.00 0.00 H new ATOM 863 N ALA A 53 31.056 31.452 35.726 1.00 0.00 N ATOM 864 CA ALA A 53 31.266 30.314 34.846 1.00 0.00 C ATOM 865 C ALA A 53 32.600 30.410 34.075 1.00 0.00 C ATOM 866 O ALA A 53 33.245 29.383 33.857 1.00 0.00 O ATOM 867 CB ALA A 53 30.045 30.207 33.933 1.00 0.00 C ATOM 0 H ALA A 53 30.282 32.052 35.440 1.00 0.00 H new ATOM 0 HA ALA A 53 31.360 29.397 35.428 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.169 29.361 33.257 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.150 30.060 34.538 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.944 31.124 33.352 1.00 0.00 H new ATOM 873 N ILE A 54 33.080 31.616 33.731 1.00 0.00 N ATOM 874 CA ILE A 54 34.410 31.810 33.121 1.00 0.00 C ATOM 875 C ILE A 54 35.510 31.357 34.083 1.00 0.00 C ATOM 876 O ILE A 54 36.340 30.534 33.703 1.00 0.00 O ATOM 877 CB ILE A 54 34.628 33.266 32.643 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.701 33.583 31.451 1.00 0.00 C ATOM 879 CG2 ILE A 54 36.089 33.520 32.227 1.00 0.00 C ATOM 880 CD1 ILE A 54 33.669 35.063 31.069 1.00 0.00 C ATOM 0 H ILE A 54 32.560 32.483 33.866 1.00 0.00 H new ATOM 0 HA ILE A 54 34.460 31.186 32.229 1.00 0.00 H new ATOM 0 HB ILE A 54 34.391 33.919 33.483 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.024 33.002 30.587 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.689 33.258 31.694 1.00 0.00 H new ATOM 0 HG21 ILE A 54 36.199 34.553 31.898 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.746 33.338 33.077 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.357 32.849 31.411 1.00 0.00 H new ATOM 0 HD11 ILE A 54 32.996 35.206 30.224 1.00 0.00 H new ATOM 0 HD12 ILE A 54 33.316 35.650 31.917 1.00 0.00 H new ATOM 0 HD13 ILE A 54 34.672 35.389 30.794 1.00 0.00 H new ATOM 892 N GLU A 55 35.506 31.818 35.335 1.00 0.00 N ATOM 893 CA GLU A 55 36.534 31.417 36.310 1.00 0.00 C ATOM 894 C GLU A 55 36.440 29.933 36.734 1.00 0.00 C ATOM 895 O GLU A 55 37.423 29.393 37.251 1.00 0.00 O ATOM 896 CB GLU A 55 36.569 32.393 37.500 1.00 0.00 C ATOM 897 CG GLU A 55 35.250 32.460 38.275 1.00 0.00 C ATOM 898 CD GLU A 55 35.321 33.339 39.527 1.00 0.00 C ATOM 899 OE1 GLU A 55 35.993 34.399 39.530 1.00 0.00 O ATOM 900 OE2 GLU A 55 34.634 33.014 40.526 1.00 0.00 O ATOM 0 H GLU A 55 34.808 32.466 35.701 1.00 0.00 H new ATOM 0 HA GLU A 55 37.498 31.487 35.806 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.366 32.095 38.181 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.818 33.390 37.135 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.470 32.842 37.616 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.957 31.451 38.565 1.00 0.00 H new ATOM 907 N CYS A 56 35.315 29.257 36.460 1.00 0.00 N ATOM 908 CA CYS A 56 35.129 27.806 36.628 1.00 0.00 C ATOM 909 C CYS A 56 35.570 26.967 35.408 1.00 0.00 C ATOM 910 O CYS A 56 36.120 25.876 35.579 1.00 0.00 O ATOM 911 CB CYS A 56 33.652 27.512 36.930 1.00 0.00 C ATOM 912 SG CYS A 56 33.155 28.207 38.530 1.00 0.00 S ATOM 0 H CYS A 56 34.480 29.720 36.103 1.00 0.00 H new ATOM 0 HA CYS A 56 35.773 27.512 37.457 1.00 0.00 H new ATOM 0 HB2 CYS A 56 33.027 27.929 36.140 1.00 0.00 H new ATOM 0 HB3 CYS A 56 33.487 26.435 36.932 1.00 0.00 H new ATOM 0 HG CYS A 56 32.857 29.464 38.383 1.00 0.00 H new ATOM 918 N GLU A 57 35.303 27.430 34.182 1.00 0.00 N ATOM 919 CA GLU A 57 35.396 26.620 32.951 1.00 0.00 C ATOM 920 C GLU A 57 36.512 27.064 31.997 1.00 0.00 C ATOM 921 O GLU A 57 37.134 26.232 31.346 1.00 0.00 O ATOM 922 CB GLU A 57 34.037 26.654 32.229 1.00 0.00 C ATOM 923 CG GLU A 57 33.793 25.489 31.257 1.00 0.00 C ATOM 924 CD GLU A 57 33.393 24.206 31.993 1.00 0.00 C ATOM 925 OE1 GLU A 57 34.114 23.735 32.904 1.00 0.00 O ATOM 926 OE2 GLU A 57 32.314 23.632 31.729 1.00 0.00 O ATOM 0 H GLU A 57 35.011 28.392 34.009 1.00 0.00 H new ATOM 0 HA GLU A 57 35.654 25.605 33.255 1.00 0.00 H new ATOM 0 HB2 GLU A 57 33.244 26.656 32.977 1.00 0.00 H new ATOM 0 HB3 GLU A 57 33.958 27.591 31.678 1.00 0.00 H new ATOM 0 HG2 GLU A 57 33.008 25.763 30.552 1.00 0.00 H new ATOM 0 HG3 GLU A 57 34.696 25.307 30.674 1.00 0.00 H new ATOM 933 N SER A 58 36.856 28.354 31.956 1.00 0.00 N ATOM 934 CA SER A 58 37.902 28.894 31.066 1.00 0.00 C ATOM 935 C SER A 58 39.330 28.441 31.443 1.00 0.00 C ATOM 936 O SER A 58 40.311 28.752 30.763 1.00 0.00 O ATOM 937 CB SER A 58 37.779 30.420 31.054 1.00 0.00 C ATOM 938 OG SER A 58 38.478 31.019 29.982 1.00 0.00 O ATOM 0 H SER A 58 36.416 29.063 32.542 1.00 0.00 H new ATOM 0 HA SER A 58 37.741 28.492 30.066 1.00 0.00 H new ATOM 0 HB2 SER A 58 36.726 30.694 30.993 1.00 0.00 H new ATOM 0 HB3 SER A 58 38.158 30.818 31.996 1.00 0.00 H new ATOM 0 HG SER A 58 39.315 30.534 29.826 1.00 0.00 H new ATOM 944 N GLN A 59 39.431 27.691 32.541 1.00 0.00 N ATOM 945 CA GLN A 59 40.637 27.104 33.123 1.00 0.00 C ATOM 946 C GLN A 59 40.599 25.559 33.099 1.00 0.00 C ATOM 947 O GLN A 59 41.438 24.910 33.729 1.00 0.00 O ATOM 948 CB GLN A 59 40.811 27.674 34.542 1.00 0.00 C ATOM 949 CG GLN A 59 40.977 29.207 34.520 1.00 0.00 C ATOM 950 CD GLN A 59 41.143 29.824 35.902 1.00 0.00 C ATOM 951 OE1 GLN A 59 41.398 29.164 36.897 1.00 0.00 O ATOM 952 NE2 GLN A 59 41.021 31.125 36.002 1.00 0.00 N ATOM 0 H GLN A 59 38.603 27.460 33.091 1.00 0.00 H new ATOM 0 HA GLN A 59 41.506 27.373 32.523 1.00 0.00 H new ATOM 0 HB2 GLN A 59 39.946 27.410 35.150 1.00 0.00 H new ATOM 0 HB3 GLN A 59 41.682 27.220 35.013 1.00 0.00 H new ATOM 0 HG2 GLN A 59 41.845 29.461 33.912 1.00 0.00 H new ATOM 0 HG3 GLN A 59 40.107 29.651 34.036 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.808 31.682 35.175 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.139 31.580 36.907 1.00 0.00 H new ATOM 1097 N ILE A 68 39.662 29.947 26.123 1.00 0.00 N ATOM 1098 CA ILE A 68 39.466 31.395 26.294 1.00 0.00 C ATOM 1099 C ILE A 68 37.975 31.750 26.191 1.00 0.00 C ATOM 1100 O ILE A 68 37.360 31.535 25.147 1.00 0.00 O ATOM 1101 CB ILE A 68 40.319 32.171 25.264 1.00 0.00 C ATOM 1102 CG1 ILE A 68 41.823 31.949 25.548 1.00 0.00 C ATOM 1103 CG2 ILE A 68 39.995 33.677 25.267 1.00 0.00 C ATOM 1104 CD1 ILE A 68 42.740 32.452 24.431 1.00 0.00 C ATOM 0 HA ILE A 68 39.801 31.689 27.289 1.00 0.00 H new ATOM 0 HB ILE A 68 40.074 31.785 24.274 1.00 0.00 H new ATOM 0 HG12 ILE A 68 42.087 32.454 26.477 1.00 0.00 H new ATOM 0 HG13 ILE A 68 42.002 30.885 25.701 1.00 0.00 H new ATOM 0 HG21 ILE A 68 40.616 34.184 24.529 1.00 0.00 H new ATOM 0 HG22 ILE A 68 38.944 33.824 25.018 1.00 0.00 H new ATOM 0 HG23 ILE A 68 40.195 34.090 26.256 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.779 32.263 24.700 1.00 0.00 H new ATOM 0 HD12 ILE A 68 42.504 31.930 23.504 1.00 0.00 H new ATOM 0 HD13 ILE A 68 42.591 33.523 24.292 1.00 0.00 H new ATOM 1116 N LEU A 69 37.432 32.328 27.266 1.00 0.00 N ATOM 1117 CA LEU A 69 36.054 32.811 27.392 1.00 0.00 C ATOM 1118 C LEU A 69 36.060 34.260 27.917 1.00 0.00 C ATOM 1119 O LEU A 69 36.862 34.584 28.797 1.00 0.00 O ATOM 1120 CB LEU A 69 35.266 31.906 28.363 1.00 0.00 C ATOM 1121 CG LEU A 69 35.238 30.395 28.069 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.462 29.647 29.154 1.00 0.00 C ATOM 1123 CD2 LEU A 69 34.549 30.085 26.749 1.00 0.00 C ATOM 0 H LEU A 69 37.971 32.480 28.118 1.00 0.00 H new ATOM 0 HA LEU A 69 35.574 32.784 26.414 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.679 32.046 29.362 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.236 32.261 28.392 1.00 0.00 H new ATOM 0 HG LEU A 69 36.280 30.076 28.033 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.455 28.581 28.927 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.940 29.809 30.120 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.438 30.018 29.190 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.552 29.008 26.581 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.521 30.444 26.782 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.080 30.580 25.936 1.00 0.00 H new ATOM 1135 N GLU A 70 35.167 35.124 27.427 1.00 0.00 N ATOM 1136 CA GLU A 70 35.063 36.523 27.879 1.00 0.00 C ATOM 1137 C GLU A 70 33.610 37.018 27.979 1.00 0.00 C ATOM 1138 O GLU A 70 32.827 36.812 27.055 1.00 0.00 O ATOM 1139 CB GLU A 70 35.875 37.428 26.934 1.00 0.00 C ATOM 1140 CG GLU A 70 35.923 38.901 27.367 1.00 0.00 C ATOM 1141 CD GLU A 70 36.774 39.115 28.621 1.00 0.00 C ATOM 1142 OE1 GLU A 70 36.429 38.612 29.715 1.00 0.00 O ATOM 1143 OE2 GLU A 70 37.829 39.783 28.527 1.00 0.00 O ATOM 0 H GLU A 70 34.492 34.877 26.703 1.00 0.00 H new ATOM 0 HA GLU A 70 35.472 36.570 28.888 1.00 0.00 H new ATOM 0 HB2 GLU A 70 36.894 37.046 26.868 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.447 37.368 25.933 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.325 39.503 26.552 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.909 39.254 27.555 1.00 0.00 H new ATOM 1150 N VAL A 71 33.260 37.715 29.070 1.00 0.00 N ATOM 1151 CA VAL A 71 31.915 38.281 29.301 1.00 0.00 C ATOM 1152 C VAL A 71 31.870 39.787 29.027 1.00 0.00 C ATOM 1153 O VAL A 71 32.760 40.540 29.436 1.00 0.00 O ATOM 1154 CB VAL A 71 31.367 37.923 30.700 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.222 38.450 31.856 1.00 0.00 C ATOM 1156 CG2 VAL A 71 29.924 38.401 30.907 1.00 0.00 C ATOM 0 H VAL A 71 33.911 37.907 29.831 1.00 0.00 H new ATOM 0 HA VAL A 71 31.247 37.813 28.577 1.00 0.00 H new ATOM 0 HB VAL A 71 31.401 36.834 30.720 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.771 38.158 32.804 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.226 38.031 31.787 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.278 39.537 31.801 1.00 0.00 H new ATOM 0 HG21 VAL A 71 29.589 38.123 31.906 1.00 0.00 H new ATOM 0 HG22 VAL A 71 29.880 39.485 30.798 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.276 37.935 30.164 1.00 0.00 H new ATOM 1166 N SER A 72 30.805 40.243 28.367 1.00 0.00 N ATOM 1167 CA SER A 72 30.585 41.647 28.008 1.00 0.00 C ATOM 1168 C SER A 72 29.118 42.059 28.096 1.00 0.00 C ATOM 1169 O SER A 72 28.229 41.310 27.692 1.00 0.00 O ATOM 1170 CB SER A 72 31.092 41.886 26.589 1.00 0.00 C ATOM 1171 OG SER A 72 31.195 43.274 26.351 1.00 0.00 O ATOM 0 H SER A 72 30.050 39.630 28.058 1.00 0.00 H new ATOM 0 HA SER A 72 31.133 42.256 28.727 1.00 0.00 H new ATOM 0 HB2 SER A 72 32.063 41.410 26.454 1.00 0.00 H new ATOM 0 HB3 SER A 72 30.412 41.432 25.868 1.00 0.00 H new ATOM 0 HG SER A 72 31.522 43.426 25.440 1.00 0.00 H new ATOM 1177 N SER A 73 28.848 43.272 28.573 1.00 0.00 N ATOM 1178 CA SER A 73 27.505 43.872 28.597 1.00 0.00 C ATOM 1179 C SER A 73 27.475 45.296 28.016 1.00 0.00 C ATOM 1180 O SER A 73 26.557 46.068 28.292 1.00 0.00 O ATOM 1181 CB SER A 73 26.888 43.761 29.997 1.00 0.00 C ATOM 1182 OG SER A 73 25.480 43.844 29.873 1.00 0.00 O ATOM 0 H SER A 73 29.567 43.882 28.963 1.00 0.00 H new ATOM 0 HA SER A 73 26.869 43.295 27.925 1.00 0.00 H new ATOM 0 HB2 SER A 73 27.173 42.818 30.463 1.00 0.00 H new ATOM 0 HB3 SER A 73 27.260 44.559 30.640 1.00 0.00 H new ATOM 0 HG SER A 73 25.071 43.028 30.231 1.00 0.00 H new