USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 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 Set 1.1: A 29 HIS : no HD1:sc= -0.217 K(o=0.55,f=-3.4!) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.264 K(o=0.55,f=-4.9) USER MOD Set 1.3: A 48 GLN : amide:sc= 0.498 K(o=0.55,f=-5.2) USER MOD Set 2.1: A 27 TYR OH : rot 179:sc= 0.192 USER MOD Set 2.2: A 56 CYS SG : rot -25:sc= 0.18 USER MOD Set 3.1: A 2 LYS NZ :NH3+ -117:sc= 0.479 (180deg=0) USER MOD Set 3.2: A 31 MET CE :methyl 170:sc= -0.26 (180deg=-0.767) USER MOD Single : A 3 SER OG : rot 70:sc= -0.0117 USER MOD Single : A 9 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.078) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00924) USER MOD Single : A 14 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.8) USER MOD Single : A 16 SER OG : rot -61:sc= 1.32 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 162:sc= 2.08 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 34 ASN : amide:sc= 0.635 K(o=0.63,f=-0.039) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 49 SER OG : rot 177:sc= 1.24 USER MOD Single : A 58 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 19.037 41.989 32.901 1.00 0.00 N ATOM 2 CA PRO A 1 20.387 42.458 32.532 1.00 0.00 C ATOM 3 C PRO A 1 20.873 41.827 31.226 1.00 0.00 C ATOM 4 O PRO A 1 20.377 40.772 30.838 1.00 0.00 O ATOM 5 CB PRO A 1 21.303 42.176 33.736 1.00 0.00 C ATOM 6 CG PRO A 1 20.338 41.856 34.886 1.00 0.00 C ATOM 7 CD PRO A 1 18.980 42.274 34.337 1.00 0.00 C ATOM 0 H2 PRO A 1 18.915 40.995 32.707 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.309 42.485 32.387 1.00 0.00 H new ATOM 0 HA PRO A 1 20.389 43.528 32.323 1.00 0.00 H new ATOM 0 HB2 PRO A 1 21.974 41.341 33.537 1.00 0.00 H new ATOM 0 HB3 PRO A 1 21.928 43.038 33.970 1.00 0.00 H new ATOM 0 HG2 PRO A 1 20.358 40.797 35.144 1.00 0.00 H new ATOM 0 HG3 PRO A 1 20.593 42.409 35.790 1.00 0.00 H new ATOM 0 HD2 PRO A 1 18.174 41.718 34.816 1.00 0.00 H new ATOM 0 HD3 PRO A 1 18.791 43.332 34.521 1.00 0.00 H new ATOM 17 N LYS A 2 21.840 42.449 30.544 1.00 0.00 N ATOM 18 CA LYS A 2 22.375 41.990 29.251 1.00 0.00 C ATOM 19 C LYS A 2 23.838 41.565 29.396 1.00 0.00 C ATOM 20 O LYS A 2 24.705 42.411 29.606 1.00 0.00 O ATOM 21 CB LYS A 2 22.263 43.117 28.208 1.00 0.00 C ATOM 22 CG LYS A 2 20.881 43.748 27.974 1.00 0.00 C ATOM 23 CD LYS A 2 19.826 42.865 27.302 1.00 0.00 C ATOM 24 CE LYS A 2 19.038 42.005 28.288 1.00 0.00 C ATOM 25 NZ LYS A 2 17.891 41.354 27.620 1.00 0.00 N ATOM 0 H LYS A 2 22.284 43.304 30.879 1.00 0.00 H new ATOM 0 HA LYS A 2 21.792 41.131 28.920 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.948 43.913 28.501 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.618 42.726 27.254 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.488 44.074 28.937 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.014 44.642 27.365 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.132 43.498 26.748 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.315 42.216 26.575 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.692 41.246 28.719 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.681 42.623 29.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.004 41.694 28.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.902 41.586 26.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.959 40.323 27.740 1.00 0.00 H new ATOM 39 N SER A 3 24.118 40.269 29.257 1.00 0.00 N ATOM 40 CA SER A 3 25.472 39.709 29.339 1.00 0.00 C ATOM 41 C SER A 3 25.799 38.874 28.103 1.00 0.00 C ATOM 42 O SER A 3 25.411 37.706 28.020 1.00 0.00 O ATOM 43 CB SER A 3 25.585 38.862 30.608 1.00 0.00 C ATOM 44 OG SER A 3 26.884 38.322 30.709 1.00 0.00 O ATOM 0 H SER A 3 23.401 39.566 29.081 1.00 0.00 H new ATOM 0 HA SER A 3 26.193 40.526 29.380 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.366 39.472 31.484 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.848 38.059 30.587 1.00 0.00 H new ATOM 0 HG SER A 3 27.522 39.039 30.905 1.00 0.00 H new ATOM 50 N ARG A 4 26.546 39.439 27.150 1.00 0.00 N ATOM 51 CA ARG A 4 27.113 38.674 26.030 1.00 0.00 C ATOM 52 C ARG A 4 28.421 37.990 26.426 1.00 0.00 C ATOM 53 O ARG A 4 29.141 38.444 27.313 1.00 0.00 O ATOM 54 CB ARG A 4 27.208 39.511 24.743 1.00 0.00 C ATOM 55 CG ARG A 4 28.304 40.586 24.770 1.00 0.00 C ATOM 56 CD ARG A 4 28.475 41.277 23.414 1.00 0.00 C ATOM 57 NE ARG A 4 27.252 41.986 23.002 1.00 0.00 N ATOM 58 CZ ARG A 4 26.805 42.132 21.770 1.00 0.00 C ATOM 59 NH1 ARG A 4 27.436 41.660 20.742 1.00 0.00 N ATOM 60 NH2 ARG A 4 25.718 42.790 21.510 1.00 0.00 N ATOM 0 H ARG A 4 26.775 40.433 27.130 1.00 0.00 H new ATOM 0 HA ARG A 4 26.419 37.869 25.790 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.391 38.843 23.901 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.247 39.993 24.565 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.060 41.332 25.527 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.249 40.130 25.065 1.00 0.00 H new ATOM 0 HD2 ARG A 4 29.303 41.983 23.468 1.00 0.00 H new ATOM 0 HD3 ARG A 4 28.737 40.536 22.659 1.00 0.00 H new ATOM 0 HE ARG A 4 26.694 42.407 23.745 1.00 0.00 H new ATOM 0 HH11 ARG A 4 28.312 41.154 20.870 1.00 0.00 H new ATOM 0 HH12 ARG A 4 27.057 41.794 19.805 1.00 0.00 H new ATOM 0 HH21 ARG A 4 25.183 43.212 22.269 1.00 0.00 H new ATOM 0 HH22 ARG A 4 25.398 42.886 20.546 1.00 0.00 H new ATOM 74 N LEU A 5 28.724 36.898 25.740 1.00 0.00 N ATOM 75 CA LEU A 5 29.893 36.056 25.953 1.00 0.00 C ATOM 76 C LEU A 5 30.530 35.742 24.601 1.00 0.00 C ATOM 77 O LEU A 5 29.850 35.216 23.718 1.00 0.00 O ATOM 78 CB LEU A 5 29.421 34.792 26.697 1.00 0.00 C ATOM 79 CG LEU A 5 30.472 33.731 27.069 1.00 0.00 C ATOM 80 CD1 LEU A 5 30.843 32.809 25.907 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.746 34.335 27.654 1.00 0.00 C ATOM 0 H LEU A 5 28.132 36.558 24.982 1.00 0.00 H new ATOM 0 HA LEU A 5 30.655 36.549 26.557 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.930 35.111 27.617 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.662 34.308 26.082 1.00 0.00 H new ATOM 0 HG LEU A 5 29.982 33.132 27.837 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.588 32.086 26.240 1.00 0.00 H new ATOM 0 HD12 LEU A 5 29.954 32.281 25.563 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.252 33.402 25.089 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.449 33.538 27.896 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.198 35.008 26.925 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.503 34.892 28.559 1.00 0.00 H new ATOM 93 N PHE A 6 31.825 36.023 24.468 1.00 0.00 N ATOM 94 CA PHE A 6 32.649 35.634 23.327 1.00 0.00 C ATOM 95 C PHE A 6 33.556 34.440 23.664 1.00 0.00 C ATOM 96 O PHE A 6 34.180 34.400 24.729 1.00 0.00 O ATOM 97 CB PHE A 6 33.479 36.839 22.859 1.00 0.00 C ATOM 98 CG PHE A 6 34.448 36.503 21.739 1.00 0.00 C ATOM 99 CD1 PHE A 6 33.972 35.962 20.530 1.00 0.00 C ATOM 100 CD2 PHE A 6 35.832 36.670 21.920 1.00 0.00 C ATOM 101 CE1 PHE A 6 34.861 35.635 19.494 1.00 0.00 C ATOM 102 CE2 PHE A 6 36.720 36.315 20.891 1.00 0.00 C ATOM 103 CZ PHE A 6 36.243 35.810 19.671 1.00 0.00 C ATOM 0 H PHE A 6 32.345 36.544 25.174 1.00 0.00 H new ATOM 0 HA PHE A 6 31.991 35.316 22.518 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.805 37.627 22.523 1.00 0.00 H new ATOM 0 HB3 PHE A 6 34.038 37.237 23.706 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.913 35.797 20.398 1.00 0.00 H new ATOM 0 HD2 PHE A 6 36.212 37.070 22.848 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.482 35.248 18.560 1.00 0.00 H new ATOM 0 HE2 PHE A 6 37.783 36.432 21.040 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.931 35.559 18.877 1.00 0.00 H new ATOM 113 N ILE A 7 33.661 33.496 22.723 1.00 0.00 N ATOM 114 CA ILE A 7 34.652 32.413 22.748 1.00 0.00 C ATOM 115 C ILE A 7 35.908 32.866 21.981 1.00 0.00 C ATOM 116 O ILE A 7 35.971 32.783 20.754 1.00 0.00 O ATOM 117 CB ILE A 7 34.044 31.108 22.178 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.731 30.661 22.858 1.00 0.00 C ATOM 119 CG2 ILE A 7 35.075 29.966 22.219 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.849 30.338 24.350 1.00 0.00 C ATOM 0 H ILE A 7 33.049 33.462 21.908 1.00 0.00 H new ATOM 0 HA ILE A 7 34.945 32.193 23.775 1.00 0.00 H new ATOM 0 HB ILE A 7 33.781 31.341 21.146 1.00 0.00 H new ATOM 0 HG12 ILE A 7 31.988 31.448 22.730 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.354 29.779 22.340 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.628 29.058 21.814 1.00 0.00 H new ATOM 0 HG22 ILE A 7 35.945 30.240 21.622 1.00 0.00 H new ATOM 0 HG23 ILE A 7 35.383 29.791 23.250 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.875 30.035 24.735 1.00 0.00 H new ATOM 0 HD12 ILE A 7 33.564 29.527 24.491 1.00 0.00 H new ATOM 0 HD13 ILE A 7 33.192 31.222 24.888 1.00 0.00 H new ATOM 132 N GLY A 8 36.924 33.322 22.713 1.00 0.00 N ATOM 133 CA GLY A 8 38.287 33.485 22.201 1.00 0.00 C ATOM 134 C GLY A 8 39.006 32.137 22.073 1.00 0.00 C ATOM 135 O GLY A 8 38.475 31.091 22.454 1.00 0.00 O ATOM 0 H GLY A 8 36.824 33.593 23.691 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.255 33.975 21.228 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.851 34.137 22.868 1.00 0.00 H new ATOM 139 N ASN A 9 40.233 32.140 21.542 1.00 0.00 N ATOM 140 CA ASN A 9 40.993 30.926 21.211 1.00 0.00 C ATOM 141 C ASN A 9 40.159 29.944 20.355 1.00 0.00 C ATOM 142 O ASN A 9 40.109 28.741 20.619 1.00 0.00 O ATOM 143 CB ASN A 9 41.591 30.353 22.511 1.00 0.00 C ATOM 144 CG ASN A 9 42.544 29.198 22.296 1.00 0.00 C ATOM 145 OD1 ASN A 9 42.313 28.071 22.711 1.00 0.00 O ATOM 146 ND2 ASN A 9 43.661 29.448 21.666 1.00 0.00 N ATOM 0 H ASN A 9 40.736 33.000 21.326 1.00 0.00 H new ATOM 0 HA ASN A 9 41.837 31.154 20.560 1.00 0.00 H new ATOM 0 HB2 ASN A 9 42.116 31.149 23.039 1.00 0.00 H new ATOM 0 HB3 ASN A 9 40.778 30.024 23.158 1.00 0.00 H new ATOM 0 HD21 ASN A 9 44.342 28.703 21.520 1.00 0.00 H new ATOM 0 HD22 ASN A 9 43.852 30.388 21.320 1.00 0.00 H new ATOM 153 N LEU A 10 39.396 30.496 19.405 1.00 0.00 N ATOM 154 CA LEU A 10 38.273 29.831 18.740 1.00 0.00 C ATOM 155 C LEU A 10 38.784 28.754 17.760 1.00 0.00 C ATOM 156 O LEU A 10 39.547 29.099 16.847 1.00 0.00 O ATOM 157 CB LEU A 10 37.421 30.920 18.046 1.00 0.00 C ATOM 158 CG LEU A 10 36.020 30.554 17.514 1.00 0.00 C ATOM 159 CD1 LEU A 10 35.984 29.426 16.495 1.00 0.00 C ATOM 160 CD2 LEU A 10 35.033 30.188 18.619 1.00 0.00 C ATOM 0 H LEU A 10 39.549 31.447 19.068 1.00 0.00 H new ATOM 0 HA LEU A 10 37.647 29.305 19.460 1.00 0.00 H new ATOM 0 HB2 LEU A 10 37.299 31.741 18.752 1.00 0.00 H new ATOM 0 HB3 LEU A 10 38.000 31.305 17.207 1.00 0.00 H new ATOM 0 HG LEU A 10 35.725 31.479 17.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 34.954 29.248 16.186 1.00 0.00 H new ATOM 0 HD12 LEU A 10 36.581 29.702 15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 10 36.391 28.519 16.942 1.00 0.00 H new ATOM 0 HD21 LEU A 10 34.067 29.941 18.177 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.409 29.328 19.173 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.916 31.033 19.297 1.00 0.00 H new ATOM 172 N PRO A 11 38.363 27.479 17.896 1.00 0.00 N ATOM 173 CA PRO A 11 38.584 26.443 16.892 1.00 0.00 C ATOM 174 C PRO A 11 37.517 26.543 15.789 1.00 0.00 C ATOM 175 O PRO A 11 36.366 26.163 15.986 1.00 0.00 O ATOM 176 CB PRO A 11 38.499 25.128 17.674 1.00 0.00 C ATOM 177 CG PRO A 11 37.470 25.428 18.766 1.00 0.00 C ATOM 178 CD PRO A 11 37.670 26.916 19.049 1.00 0.00 C ATOM 0 HA PRO A 11 39.542 26.532 16.380 1.00 0.00 H new ATOM 0 HB2 PRO A 11 38.180 24.302 17.038 1.00 0.00 H new ATOM 0 HB3 PRO A 11 39.464 24.850 18.097 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.455 25.217 18.429 1.00 0.00 H new ATOM 0 HG3 PRO A 11 37.643 24.824 19.657 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.711 27.412 19.203 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.253 27.061 19.958 1.00 0.00 H new ATOM 186 N LEU A 12 37.880 27.011 14.593 1.00 0.00 N ATOM 187 CA LEU A 12 36.956 27.116 13.451 1.00 0.00 C ATOM 188 C LEU A 12 36.615 25.741 12.828 1.00 0.00 C ATOM 189 O LEU A 12 35.956 25.674 11.785 1.00 0.00 O ATOM 190 CB LEU A 12 37.493 28.117 12.404 1.00 0.00 C ATOM 191 CG LEU A 12 37.444 29.598 12.818 1.00 0.00 C ATOM 192 CD1 LEU A 12 38.703 30.047 13.557 1.00 0.00 C ATOM 193 CD2 LEU A 12 37.307 30.501 11.589 1.00 0.00 C ATOM 0 H LEU A 12 38.826 27.330 14.384 1.00 0.00 H new ATOM 0 HA LEU A 12 36.012 27.506 13.832 1.00 0.00 H new ATOM 0 HB2 LEU A 12 38.526 27.856 12.174 1.00 0.00 H new ATOM 0 HB3 LEU A 12 36.921 27.996 11.484 1.00 0.00 H new ATOM 0 HG LEU A 12 36.582 29.687 13.479 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.612 31.100 13.824 1.00 0.00 H new ATOM 0 HD12 LEU A 12 38.825 29.452 14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 12 39.571 29.910 12.913 1.00 0.00 H new ATOM 0 HD21 LEU A 12 37.274 31.544 11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 12 38.161 30.349 10.929 1.00 0.00 H new ATOM 0 HD23 LEU A 12 36.388 30.254 11.057 1.00 0.00 H new ATOM 205 N LYS A 13 37.046 24.650 13.471 1.00 0.00 N ATOM 206 CA LYS A 13 36.816 23.251 13.105 1.00 0.00 C ATOM 207 C LYS A 13 35.960 22.544 14.161 1.00 0.00 C ATOM 208 O LYS A 13 36.258 22.594 15.357 1.00 0.00 O ATOM 209 CB LYS A 13 38.164 22.551 12.852 1.00 0.00 C ATOM 210 CG LYS A 13 39.098 22.469 14.078 1.00 0.00 C ATOM 211 CD LYS A 13 40.455 21.825 13.756 1.00 0.00 C ATOM 212 CE LYS A 13 41.360 22.672 12.853 1.00 0.00 C ATOM 213 NZ LYS A 13 41.833 23.905 13.523 1.00 0.00 N ATOM 0 H LYS A 13 37.604 24.729 14.321 1.00 0.00 H new ATOM 0 HA LYS A 13 36.248 23.204 12.176 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.969 21.540 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 13 38.685 23.077 12.052 1.00 0.00 H new ATOM 0 HG2 LYS A 13 39.262 23.472 14.471 1.00 0.00 H new ATOM 0 HG3 LYS A 13 38.607 21.895 14.864 1.00 0.00 H new ATOM 0 HD2 LYS A 13 40.979 21.625 14.690 1.00 0.00 H new ATOM 0 HD3 LYS A 13 40.282 20.862 13.275 1.00 0.00 H new ATOM 0 HE2 LYS A 13 42.220 22.077 12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 13 40.816 22.940 11.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 42.481 24.417 12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 41.019 24.511 13.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 42.332 23.654 14.400 1.00 0.00 H new ATOM 227 N ASN A 14 34.885 21.895 13.718 1.00 0.00 N ATOM 228 CA ASN A 14 33.942 21.135 14.548 1.00 0.00 C ATOM 229 C ASN A 14 33.442 21.851 15.832 1.00 0.00 C ATOM 230 O ASN A 14 33.224 21.226 16.878 1.00 0.00 O ATOM 231 CB ASN A 14 34.499 19.721 14.792 1.00 0.00 C ATOM 232 CG ASN A 14 33.417 18.797 15.318 1.00 0.00 C ATOM 233 OD1 ASN A 14 32.290 18.802 14.834 1.00 0.00 O ATOM 234 ND2 ASN A 14 33.708 18.011 16.319 1.00 0.00 N ATOM 0 H ASN A 14 34.633 21.882 12.730 1.00 0.00 H new ATOM 0 HA ASN A 14 33.016 21.054 13.978 1.00 0.00 H new ATOM 0 HB2 ASN A 14 34.905 19.320 13.863 1.00 0.00 H new ATOM 0 HB3 ASN A 14 35.322 19.768 15.506 1.00 0.00 H new ATOM 0 HD21 ASN A 14 32.995 17.393 16.706 1.00 0.00 H new ATOM 0 HD22 ASN A 14 34.648 18.015 16.714 1.00 0.00 H new ATOM 241 N VAL A 15 33.262 23.173 15.776 1.00 0.00 N ATOM 242 CA VAL A 15 32.582 23.932 16.836 1.00 0.00 C ATOM 243 C VAL A 15 31.072 23.911 16.592 1.00 0.00 C ATOM 244 O VAL A 15 30.609 24.108 15.465 1.00 0.00 O ATOM 245 CB VAL A 15 33.179 25.342 17.004 1.00 0.00 C ATOM 246 CG1 VAL A 15 32.929 26.273 15.811 1.00 0.00 C ATOM 247 CG2 VAL A 15 32.679 25.993 18.298 1.00 0.00 C ATOM 0 H VAL A 15 33.582 23.749 14.997 1.00 0.00 H new ATOM 0 HA VAL A 15 32.753 23.451 17.799 1.00 0.00 H new ATOM 0 HB VAL A 15 34.258 25.199 17.056 1.00 0.00 H new ATOM 0 HG11 VAL A 15 33.381 27.245 16.007 1.00 0.00 H new ATOM 0 HG12 VAL A 15 33.373 25.842 14.914 1.00 0.00 H new ATOM 0 HG13 VAL A 15 31.856 26.395 15.663 1.00 0.00 H new ATOM 0 HG21 VAL A 15 33.113 26.988 18.396 1.00 0.00 H new ATOM 0 HG22 VAL A 15 31.592 26.073 18.269 1.00 0.00 H new ATOM 0 HG23 VAL A 15 32.975 25.382 19.151 1.00 0.00 H new ATOM 257 N SER A 16 30.301 23.622 17.635 1.00 0.00 N ATOM 258 CA SER A 16 28.855 23.392 17.581 1.00 0.00 C ATOM 259 C SER A 16 28.125 24.166 18.676 1.00 0.00 C ATOM 260 O SER A 16 28.735 24.576 19.665 1.00 0.00 O ATOM 261 CB SER A 16 28.575 21.887 17.701 1.00 0.00 C ATOM 262 OG SER A 16 28.875 21.395 18.997 1.00 0.00 O ATOM 0 H SER A 16 30.677 23.537 18.579 1.00 0.00 H new ATOM 0 HA SER A 16 28.480 23.755 16.624 1.00 0.00 H new ATOM 0 HB2 SER A 16 27.527 21.693 17.473 1.00 0.00 H new ATOM 0 HB3 SER A 16 29.167 21.347 16.962 1.00 0.00 H new ATOM 0 HG SER A 16 29.825 21.538 19.189 1.00 0.00 H new ATOM 268 N LYS A 17 26.803 24.337 18.557 1.00 0.00 N ATOM 269 CA LYS A 17 26.012 24.944 19.646 1.00 0.00 C ATOM 270 C LYS A 17 26.071 24.133 20.947 1.00 0.00 C ATOM 271 O LYS A 17 25.947 24.706 22.025 1.00 0.00 O ATOM 272 CB LYS A 17 24.568 25.205 19.200 1.00 0.00 C ATOM 273 CG LYS A 17 23.777 23.925 18.893 1.00 0.00 C ATOM 274 CD LYS A 17 22.326 24.298 18.601 1.00 0.00 C ATOM 275 CE LYS A 17 21.528 23.062 18.188 1.00 0.00 C ATOM 276 NZ LYS A 17 20.124 23.434 17.930 1.00 0.00 N ATOM 0 H LYS A 17 26.262 24.071 17.735 1.00 0.00 H new ATOM 0 HA LYS A 17 26.471 25.906 19.872 1.00 0.00 H new ATOM 0 HB2 LYS A 17 24.051 25.763 19.981 1.00 0.00 H new ATOM 0 HB3 LYS A 17 24.580 25.836 18.312 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.213 23.409 18.038 1.00 0.00 H new ATOM 0 HG3 LYS A 17 23.827 23.239 19.739 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.876 24.750 19.485 1.00 0.00 H new ATOM 0 HD3 LYS A 17 22.289 25.044 17.807 1.00 0.00 H new ATOM 0 HE2 LYS A 17 21.966 22.618 17.294 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.575 22.309 18.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.587 22.589 17.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.708 23.838 18.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 20.086 24.138 17.165 1.00 0.00 H new ATOM 290 N GLU A 18 26.342 22.831 20.850 1.00 0.00 N ATOM 291 CA GLU A 18 26.544 21.951 22.002 1.00 0.00 C ATOM 292 C GLU A 18 27.853 22.265 22.748 1.00 0.00 C ATOM 293 O GLU A 18 27.881 22.173 23.971 1.00 0.00 O ATOM 294 CB GLU A 18 26.487 20.492 21.528 1.00 0.00 C ATOM 295 CG GLU A 18 26.367 19.505 22.696 1.00 0.00 C ATOM 296 CD GLU A 18 26.229 18.060 22.207 1.00 0.00 C ATOM 297 OE1 GLU A 18 25.457 17.793 21.254 1.00 0.00 O ATOM 298 OE2 GLU A 18 26.875 17.159 22.786 1.00 0.00 O ATOM 0 H GLU A 18 26.429 22.350 19.955 1.00 0.00 H new ATOM 0 HA GLU A 18 25.746 22.123 22.724 1.00 0.00 H new ATOM 0 HB2 GLU A 18 25.637 20.363 20.857 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.384 20.264 20.953 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.246 19.590 23.336 1.00 0.00 H new ATOM 0 HG3 GLU A 18 25.502 19.767 23.306 1.00 0.00 H new ATOM 305 N ASP A 19 28.902 22.727 22.052 1.00 0.00 N ATOM 306 CA ASP A 19 30.115 23.248 22.700 1.00 0.00 C ATOM 307 C ASP A 19 29.784 24.495 23.533 1.00 0.00 C ATOM 308 O ASP A 19 30.138 24.577 24.706 1.00 0.00 O ATOM 309 CB ASP A 19 31.213 23.583 21.676 1.00 0.00 C ATOM 310 CG ASP A 19 31.725 22.357 20.926 1.00 0.00 C ATOM 311 OD1 ASP A 19 32.641 21.674 21.439 1.00 0.00 O ATOM 312 OD2 ASP A 19 31.256 22.084 19.797 1.00 0.00 O ATOM 0 H ASP A 19 28.934 22.750 21.033 1.00 0.00 H new ATOM 0 HA ASP A 19 30.494 22.464 23.355 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.824 24.305 20.958 1.00 0.00 H new ATOM 0 HB3 ASP A 19 32.047 24.062 22.189 1.00 0.00 H new ATOM 317 N LEU A 20 29.029 25.440 22.963 1.00 0.00 N ATOM 318 CA LEU A 20 28.576 26.633 23.685 1.00 0.00 C ATOM 319 C LEU A 20 27.703 26.252 24.892 1.00 0.00 C ATOM 320 O LEU A 20 27.887 26.812 25.967 1.00 0.00 O ATOM 321 CB LEU A 20 27.842 27.586 22.718 1.00 0.00 C ATOM 322 CG LEU A 20 28.728 28.569 21.928 1.00 0.00 C ATOM 323 CD1 LEU A 20 29.236 29.707 22.814 1.00 0.00 C ATOM 324 CD2 LEU A 20 29.931 27.900 21.256 1.00 0.00 C ATOM 0 H LEU A 20 28.716 25.400 21.993 1.00 0.00 H new ATOM 0 HA LEU A 20 29.445 27.159 24.080 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.279 26.984 22.005 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.116 28.163 23.291 1.00 0.00 H new ATOM 0 HG LEU A 20 28.079 28.964 21.147 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.857 30.379 22.222 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.388 30.259 23.219 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.826 29.295 23.633 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.511 28.650 20.718 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.558 27.432 22.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.581 27.141 20.556 1.00 0.00 H new ATOM 336 N PHE A 21 26.819 25.263 24.747 1.00 0.00 N ATOM 337 CA PHE A 21 25.933 24.783 25.812 1.00 0.00 C ATOM 338 C PHE A 21 26.681 24.050 26.945 1.00 0.00 C ATOM 339 O PHE A 21 26.383 24.279 28.116 1.00 0.00 O ATOM 340 CB PHE A 21 24.861 23.893 25.161 1.00 0.00 C ATOM 341 CG PHE A 21 23.702 23.498 26.056 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.824 22.405 26.932 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.473 24.180 25.971 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.728 22.005 27.711 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.374 23.775 26.748 1.00 0.00 C ATOM 346 CZ PHE A 21 21.500 22.679 27.616 1.00 0.00 C ATOM 0 H PHE A 21 26.696 24.762 23.867 1.00 0.00 H new ATOM 0 HA PHE A 21 25.471 25.640 26.302 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.463 24.414 24.290 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.341 22.985 24.797 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.761 21.873 27.005 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.374 25.022 25.302 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.830 21.171 28.390 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.436 24.305 26.677 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.656 22.356 28.208 1.00 0.00 H new ATOM 356 N ARG A 22 27.675 23.197 26.645 1.00 0.00 N ATOM 357 CA ARG A 22 28.458 22.489 27.685 1.00 0.00 C ATOM 358 C ARG A 22 29.443 23.398 28.424 1.00 0.00 C ATOM 359 O ARG A 22 29.830 23.084 29.548 1.00 0.00 O ATOM 360 CB ARG A 22 29.104 21.202 27.130 1.00 0.00 C ATOM 361 CG ARG A 22 30.242 21.407 26.115 1.00 0.00 C ATOM 362 CD ARG A 22 31.633 21.680 26.706 1.00 0.00 C ATOM 363 NE ARG A 22 32.202 20.484 27.346 1.00 0.00 N ATOM 364 CZ ARG A 22 32.979 20.436 28.409 1.00 0.00 C ATOM 365 NH1 ARG A 22 33.332 21.477 29.101 1.00 0.00 N ATOM 366 NH2 ARG A 22 33.438 19.289 28.799 1.00 0.00 N ATOM 0 H ARG A 22 27.959 22.977 25.690 1.00 0.00 H new ATOM 0 HA ARG A 22 27.750 22.174 28.452 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.490 20.622 27.968 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.326 20.602 26.658 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.305 20.519 25.486 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.976 22.240 25.465 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.302 22.022 25.916 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.565 22.485 27.437 1.00 0.00 H new ATOM 0 HE ARG A 22 31.968 19.588 26.917 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.004 22.404 28.831 1.00 0.00 H new ATOM 0 HH12 ARG A 22 33.937 21.367 29.915 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.197 18.442 28.285 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.041 19.233 29.620 1.00 0.00 H new ATOM 380 N ILE A 23 29.839 24.521 27.819 1.00 0.00 N ATOM 381 CA ILE A 23 30.625 25.568 28.491 1.00 0.00 C ATOM 382 C ILE A 23 29.680 26.504 29.279 1.00 0.00 C ATOM 383 O ILE A 23 29.962 26.839 30.425 1.00 0.00 O ATOM 384 CB ILE A 23 31.526 26.315 27.474 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.457 25.379 26.660 1.00 0.00 C ATOM 386 CG2 ILE A 23 32.440 27.323 28.191 1.00 0.00 C ATOM 387 CD1 ILE A 23 33.010 26.040 25.388 1.00 0.00 C ATOM 0 H ILE A 23 29.624 24.734 26.845 1.00 0.00 H new ATOM 0 HA ILE A 23 31.303 25.117 29.215 1.00 0.00 H new ATOM 0 HB ILE A 23 30.828 26.804 26.794 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.289 25.065 27.291 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.908 24.479 26.385 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.063 27.835 27.458 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.830 28.054 28.722 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.076 26.796 28.902 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.654 25.335 24.862 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.183 26.329 24.739 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.586 26.925 25.659 1.00 0.00 H new ATOM 399 N PHE A 24 28.521 26.868 28.714 1.00 0.00 N ATOM 400 CA PHE A 24 27.544 27.797 29.294 1.00 0.00 C ATOM 401 C PHE A 24 26.102 27.276 29.152 1.00 0.00 C ATOM 402 O PHE A 24 25.408 27.564 28.179 1.00 0.00 O ATOM 403 CB PHE A 24 27.667 29.165 28.604 1.00 0.00 C ATOM 404 CG PHE A 24 28.956 29.914 28.837 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.040 29.711 27.968 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.068 30.829 29.899 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.260 30.361 28.207 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.285 31.496 30.119 1.00 0.00 C ATOM 409 CZ PHE A 24 31.389 31.237 29.296 1.00 0.00 C ATOM 0 H PHE A 24 28.228 26.509 27.805 1.00 0.00 H new ATOM 0 HA PHE A 24 27.761 27.889 30.358 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.544 29.020 27.531 1.00 0.00 H new ATOM 0 HB3 PHE A 24 26.841 29.793 28.938 1.00 0.00 H new ATOM 0 HD1 PHE A 24 29.935 29.055 27.116 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.222 31.018 30.543 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.101 30.187 27.552 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.370 32.210 30.925 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.338 31.711 29.499 1.00 0.00 H new ATOM 419 N SER A 25 25.617 26.544 30.159 1.00 0.00 N ATOM 420 CA SER A 25 24.184 26.236 30.320 1.00 0.00 C ATOM 421 C SER A 25 23.775 25.868 31.759 1.00 0.00 C ATOM 422 O SER A 25 22.847 26.497 32.273 1.00 0.00 O ATOM 423 CB SER A 25 23.747 25.145 29.339 1.00 0.00 C ATOM 424 OG SER A 25 22.350 24.945 29.406 1.00 0.00 O ATOM 0 H SER A 25 26.205 26.145 30.890 1.00 0.00 H new ATOM 0 HA SER A 25 23.659 27.163 30.090 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.031 25.426 28.325 1.00 0.00 H new ATOM 0 HB3 SER A 25 24.264 24.214 29.569 1.00 0.00 H new ATOM 0 HG SER A 25 22.047 24.479 28.599 1.00 0.00 H new ATOM 430 N PRO A 26 24.446 24.944 32.484 1.00 0.00 N ATOM 431 CA PRO A 26 24.029 24.517 33.832 1.00 0.00 C ATOM 432 C PRO A 26 24.405 25.514 34.953 1.00 0.00 C ATOM 433 O PRO A 26 24.602 25.129 36.107 1.00 0.00 O ATOM 434 CB PRO A 26 24.649 23.127 34.013 1.00 0.00 C ATOM 435 CG PRO A 26 25.959 23.256 33.242 1.00 0.00 C ATOM 436 CD PRO A 26 25.541 24.087 32.032 1.00 0.00 C ATOM 0 HA PRO A 26 22.943 24.485 33.915 1.00 0.00 H new ATOM 0 HB2 PRO A 26 24.816 22.890 35.064 1.00 0.00 H new ATOM 0 HB3 PRO A 26 24.013 22.341 33.606 1.00 0.00 H new ATOM 0 HG2 PRO A 26 26.730 23.753 33.830 1.00 0.00 H new ATOM 0 HG3 PRO A 26 26.357 22.284 32.950 1.00 0.00 H new ATOM 0 HD2 PRO A 26 26.375 24.684 31.663 1.00 0.00 H new ATOM 0 HD3 PRO A 26 25.220 23.445 31.211 1.00 0.00 H new ATOM 444 N TYR A 27 24.515 26.805 34.634 1.00 0.00 N ATOM 445 CA TYR A 27 25.015 27.869 35.519 1.00 0.00 C ATOM 446 C TYR A 27 23.908 28.819 36.020 1.00 0.00 C ATOM 447 O TYR A 27 24.197 29.895 36.544 1.00 0.00 O ATOM 448 CB TYR A 27 26.186 28.587 34.830 1.00 0.00 C ATOM 449 CG TYR A 27 27.389 27.683 34.606 1.00 0.00 C ATOM 450 CD1 TYR A 27 27.505 26.918 33.429 1.00 0.00 C ATOM 451 CD2 TYR A 27 28.400 27.614 35.583 1.00 0.00 C ATOM 452 CE1 TYR A 27 28.615 26.071 33.234 1.00 0.00 C ATOM 453 CE2 TYR A 27 29.518 26.783 35.384 1.00 0.00 C ATOM 454 CZ TYR A 27 29.628 26.004 34.216 1.00 0.00 C ATOM 455 OH TYR A 27 30.707 25.195 34.058 1.00 0.00 O ATOM 0 H TYR A 27 24.248 27.157 33.714 1.00 0.00 H new ATOM 0 HA TYR A 27 25.389 27.414 36.436 1.00 0.00 H new ATOM 0 HB2 TYR A 27 25.850 28.980 33.870 1.00 0.00 H new ATOM 0 HB3 TYR A 27 26.488 29.441 35.436 1.00 0.00 H new ATOM 0 HD1 TYR A 27 26.738 26.981 32.671 1.00 0.00 H new ATOM 0 HD2 TYR A 27 28.317 28.200 36.487 1.00 0.00 H new ATOM 0 HE1 TYR A 27 28.691 25.475 32.336 1.00 0.00 H new ATOM 0 HE2 TYR A 27 30.296 26.742 36.132 1.00 0.00 H new ATOM 0 HH TYR A 27 31.306 25.294 34.827 1.00 0.00 H new ATOM 465 N GLY A 28 22.639 28.426 35.874 1.00 0.00 N ATOM 466 CA GLY A 28 21.478 29.196 36.320 1.00 0.00 C ATOM 467 C GLY A 28 20.968 30.186 35.277 1.00 0.00 C ATOM 468 O GLY A 28 20.230 29.802 34.368 1.00 0.00 O ATOM 0 H GLY A 28 22.386 27.542 35.432 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.674 28.508 36.580 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.739 29.739 37.228 1.00 0.00 H new ATOM 472 N HIS A 29 21.301 31.468 35.432 1.00 0.00 N ATOM 473 CA HIS A 29 20.717 32.564 34.648 1.00 0.00 C ATOM 474 C HIS A 29 21.050 32.467 33.152 1.00 0.00 C ATOM 475 O HIS A 29 22.188 32.177 32.781 1.00 0.00 O ATOM 476 CB HIS A 29 21.142 33.913 35.236 1.00 0.00 C ATOM 477 CG HIS A 29 21.057 33.988 36.739 1.00 0.00 C ATOM 478 ND1 HIS A 29 21.989 33.444 37.627 1.00 0.00 N ATOM 479 CD2 HIS A 29 20.070 34.598 37.455 1.00 0.00 C ATOM 480 CE1 HIS A 29 21.538 33.727 38.857 1.00 0.00 C ATOM 481 NE2 HIS A 29 20.392 34.426 38.782 1.00 0.00 N ATOM 0 H HIS A 29 21.992 31.781 36.113 1.00 0.00 H new ATOM 0 HA HIS A 29 19.633 32.477 34.717 1.00 0.00 H new ATOM 0 HB2 HIS A 29 22.167 34.123 34.931 1.00 0.00 H new ATOM 0 HB3 HIS A 29 20.516 34.696 34.809 1.00 0.00 H new ATOM 0 HD2 HIS A 29 19.207 35.114 37.060 1.00 0.00 H new ATOM 0 HE1 HIS A 29 22.025 33.436 39.776 1.00 0.00 H new ATOM 0 HE2 HIS A 29 19.852 34.771 39.575 1.00 0.00 H new ATOM 489 N ILE A 30 20.042 32.680 32.300 1.00 0.00 N ATOM 490 CA ILE A 30 20.045 32.259 30.887 1.00 0.00 C ATOM 491 C ILE A 30 19.406 33.319 29.967 1.00 0.00 C ATOM 492 O ILE A 30 18.677 34.186 30.440 1.00 0.00 O ATOM 493 CB ILE A 30 19.324 30.882 30.796 1.00 0.00 C ATOM 494 CG1 ILE A 30 19.919 29.956 29.716 1.00 0.00 C ATOM 495 CG2 ILE A 30 17.803 31.010 30.602 1.00 0.00 C ATOM 496 CD1 ILE A 30 21.181 29.248 30.224 1.00 0.00 C ATOM 0 H ILE A 30 19.184 33.158 32.574 1.00 0.00 H new ATOM 0 HA ILE A 30 21.071 32.156 30.533 1.00 0.00 H new ATOM 0 HB ILE A 30 19.500 30.418 31.766 1.00 0.00 H new ATOM 0 HG12 ILE A 30 19.177 29.214 29.421 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.159 30.538 28.826 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.358 30.016 30.546 1.00 0.00 H new ATOM 0 HG22 ILE A 30 17.373 31.553 31.444 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.598 31.552 29.679 1.00 0.00 H new ATOM 0 HD11 ILE A 30 21.577 28.603 29.440 1.00 0.00 H new ATOM 0 HD12 ILE A 30 21.931 29.991 30.495 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.934 28.646 31.099 1.00 0.00 H new ATOM 508 N MET A 31 19.630 33.229 28.653 1.00 0.00 N ATOM 509 CA MET A 31 18.706 33.723 27.611 1.00 0.00 C ATOM 510 C MET A 31 18.883 32.898 26.324 1.00 0.00 C ATOM 511 O MET A 31 18.055 32.034 26.046 1.00 0.00 O ATOM 512 CB MET A 31 18.844 35.231 27.290 1.00 0.00 C ATOM 513 CG MET A 31 18.058 36.205 28.166 1.00 0.00 C ATOM 514 SD MET A 31 18.063 37.902 27.515 1.00 0.00 S ATOM 515 CE MET A 31 19.773 38.420 27.812 1.00 0.00 C ATOM 0 H MET A 31 20.474 32.803 28.269 1.00 0.00 H new ATOM 0 HA MET A 31 17.704 33.598 28.020 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.900 35.495 27.354 1.00 0.00 H new ATOM 0 HB3 MET A 31 18.539 35.386 26.255 1.00 0.00 H new ATOM 0 HG2 MET A 31 17.029 35.858 28.254 1.00 0.00 H new ATOM 0 HG3 MET A 31 18.481 36.205 29.171 1.00 0.00 H new ATOM 0 HE1 MET A 31 19.960 39.366 27.304 1.00 0.00 H new ATOM 0 HE2 MET A 31 19.935 38.544 28.883 1.00 0.00 H new ATOM 0 HE3 MET A 31 20.455 37.661 27.428 1.00 0.00 H new ATOM 525 N GLN A 32 19.946 33.143 25.545 1.00 0.00 N ATOM 526 CA GLN A 32 20.102 32.661 24.163 1.00 0.00 C ATOM 527 C GLN A 32 21.544 32.252 23.806 1.00 0.00 C ATOM 528 O GLN A 32 22.523 32.728 24.381 1.00 0.00 O ATOM 529 CB GLN A 32 19.635 33.761 23.194 1.00 0.00 C ATOM 530 CG GLN A 32 18.110 33.958 23.199 1.00 0.00 C ATOM 531 CD GLN A 32 17.670 35.151 22.361 1.00 0.00 C ATOM 532 OE1 GLN A 32 18.418 35.719 21.571 1.00 0.00 O ATOM 533 NE2 GLN A 32 16.449 35.597 22.520 1.00 0.00 N ATOM 0 H GLN A 32 20.741 33.695 25.865 1.00 0.00 H new ATOM 0 HA GLN A 32 19.493 31.762 24.073 1.00 0.00 H new ATOM 0 HB2 GLN A 32 20.118 34.701 23.460 1.00 0.00 H new ATOM 0 HB3 GLN A 32 19.960 33.510 22.184 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.630 33.056 22.820 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.768 34.094 24.225 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.818 35.134 23.174 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.129 36.408 21.990 1.00 0.00 H new ATOM 542 N ILE A 33 21.654 31.386 22.795 1.00 0.00 N ATOM 543 CA ILE A 33 22.897 30.813 22.251 1.00 0.00 C ATOM 544 C ILE A 33 23.044 31.207 20.776 1.00 0.00 C ATOM 545 O ILE A 33 22.069 31.164 20.020 1.00 0.00 O ATOM 546 CB ILE A 33 22.929 29.275 22.454 1.00 0.00 C ATOM 547 CG1 ILE A 33 22.717 28.927 23.948 1.00 0.00 C ATOM 548 CG2 ILE A 33 24.242 28.678 21.908 1.00 0.00 C ATOM 549 CD1 ILE A 33 22.812 27.440 24.299 1.00 0.00 C ATOM 0 H ILE A 33 20.830 31.043 22.302 1.00 0.00 H new ATOM 0 HA ILE A 33 23.751 31.218 22.793 1.00 0.00 H new ATOM 0 HB ILE A 33 22.111 28.828 21.888 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.456 29.469 24.538 1.00 0.00 H new ATOM 0 HG13 ILE A 33 21.736 29.292 24.252 1.00 0.00 H new ATOM 0 HG21 ILE A 33 24.242 27.599 22.061 1.00 0.00 H new ATOM 0 HG22 ILE A 33 24.324 28.893 20.843 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.089 29.119 22.434 1.00 0.00 H new ATOM 0 HD11 ILE A 33 22.648 27.307 25.368 1.00 0.00 H new ATOM 0 HD12 ILE A 33 22.054 26.886 23.744 1.00 0.00 H new ATOM 0 HD13 ILE A 33 23.801 27.066 24.034 1.00 0.00 H new ATOM 561 N ASN A 34 24.254 31.590 20.363 1.00 0.00 N ATOM 562 CA ASN A 34 24.565 32.079 19.020 1.00 0.00 C ATOM 563 C ASN A 34 25.870 31.436 18.512 1.00 0.00 C ATOM 564 O ASN A 34 26.949 32.028 18.590 1.00 0.00 O ATOM 565 CB ASN A 34 24.611 33.621 19.094 1.00 0.00 C ATOM 566 CG ASN A 34 24.852 34.313 17.761 1.00 0.00 C ATOM 567 OD1 ASN A 34 23.991 34.988 17.223 1.00 0.00 O ATOM 568 ND2 ASN A 34 26.035 34.216 17.210 1.00 0.00 N ATOM 0 H ASN A 34 25.070 31.567 20.975 1.00 0.00 H new ATOM 0 HA ASN A 34 23.805 31.796 18.292 1.00 0.00 H new ATOM 0 HB2 ASN A 34 23.669 33.980 19.509 1.00 0.00 H new ATOM 0 HB3 ASN A 34 25.398 33.915 19.788 1.00 0.00 H new ATOM 0 HD21 ASN A 34 26.232 34.703 16.336 1.00 0.00 H new ATOM 0 HD22 ASN A 34 26.760 33.653 17.655 1.00 0.00 H new ATOM 575 N ILE A 35 25.782 30.231 17.949 1.00 0.00 N ATOM 576 CA ILE A 35 26.875 29.662 17.155 1.00 0.00 C ATOM 577 C ILE A 35 26.738 30.087 15.689 1.00 0.00 C ATOM 578 O ILE A 35 25.643 30.068 15.112 1.00 0.00 O ATOM 579 CB ILE A 35 27.046 28.142 17.409 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.465 27.851 17.939 1.00 0.00 C ATOM 581 CG2 ILE A 35 26.695 27.235 16.217 1.00 0.00 C ATOM 582 CD1 ILE A 35 29.619 28.072 16.953 1.00 0.00 C ATOM 0 H ILE A 35 24.964 29.627 18.027 1.00 0.00 H new ATOM 0 HA ILE A 35 27.828 30.076 17.485 1.00 0.00 H new ATOM 0 HB ILE A 35 26.306 27.885 18.167 1.00 0.00 H new ATOM 0 HG12 ILE A 35 28.638 28.478 18.814 1.00 0.00 H new ATOM 0 HG13 ILE A 35 28.498 26.815 18.277 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.848 26.192 16.496 1.00 0.00 H new ATOM 0 HG22 ILE A 35 25.652 27.387 15.939 1.00 0.00 H new ATOM 0 HG23 ILE A 35 27.336 27.482 15.371 1.00 0.00 H new ATOM 0 HD11 ILE A 35 30.565 27.835 17.441 1.00 0.00 H new ATOM 0 HD12 ILE A 35 29.486 27.425 16.086 1.00 0.00 H new ATOM 0 HD13 ILE A 35 29.628 29.113 16.631 1.00 0.00 H new ATOM 594 N LYS A 36 27.863 30.493 15.102 1.00 0.00 N ATOM 595 CA LYS A 36 28.033 30.874 13.701 1.00 0.00 C ATOM 596 C LYS A 36 29.281 30.176 13.158 1.00 0.00 C ATOM 597 O LYS A 36 30.234 29.967 13.905 1.00 0.00 O ATOM 598 CB LYS A 36 28.080 32.414 13.631 1.00 0.00 C ATOM 599 CG LYS A 36 28.303 32.950 12.212 1.00 0.00 C ATOM 600 CD LYS A 36 27.580 34.272 11.930 1.00 0.00 C ATOM 601 CE LYS A 36 27.970 35.423 12.854 1.00 0.00 C ATOM 602 NZ LYS A 36 26.907 36.456 12.896 1.00 0.00 N ATOM 0 H LYS A 36 28.735 30.569 15.626 1.00 0.00 H new ATOM 0 HA LYS A 36 27.205 30.555 13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.146 32.817 14.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.879 32.776 14.278 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.372 33.089 12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.967 32.202 11.494 1.00 0.00 H new ATOM 0 HD2 LYS A 36 27.780 34.567 10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.506 34.107 12.011 1.00 0.00 H new ATOM 0 HE2 LYS A 36 28.151 35.042 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.903 35.870 12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.197 37.227 13.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 26.753 36.835 11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 26.025 36.032 13.247 1.00 0.00 H new ATOM 616 N ASN A 37 29.308 29.819 11.876 1.00 0.00 N ATOM 617 CA ASN A 37 30.304 28.901 11.304 1.00 0.00 C ATOM 618 C ASN A 37 31.775 29.381 11.371 1.00 0.00 C ATOM 619 O ASN A 37 32.686 28.586 11.124 1.00 0.00 O ATOM 620 CB ASN A 37 29.861 28.548 9.869 1.00 0.00 C ATOM 621 CG ASN A 37 28.648 27.629 9.816 1.00 0.00 C ATOM 622 OD1 ASN A 37 28.147 27.124 10.814 1.00 0.00 O ATOM 623 ND2 ASN A 37 28.148 27.343 8.639 1.00 0.00 N ATOM 0 H ASN A 37 28.632 30.161 11.192 1.00 0.00 H new ATOM 0 HA ASN A 37 30.323 28.011 11.932 1.00 0.00 H new ATOM 0 HB2 ASN A 37 29.633 29.468 9.331 1.00 0.00 H new ATOM 0 HB3 ASN A 37 30.691 28.071 9.348 1.00 0.00 H new ATOM 0 HD21 ASN A 37 27.353 26.708 8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 37 28.554 27.755 7.799 1.00 0.00 H new ATOM 630 N ALA A 38 32.035 30.637 11.750 1.00 0.00 N ATOM 631 CA ALA A 38 33.369 31.138 12.096 1.00 0.00 C ATOM 632 C ALA A 38 33.602 31.395 13.602 1.00 0.00 C ATOM 633 O ALA A 38 34.753 31.384 14.029 1.00 0.00 O ATOM 634 CB ALA A 38 33.624 32.402 11.269 1.00 0.00 C ATOM 0 H ALA A 38 31.308 31.348 11.826 1.00 0.00 H new ATOM 0 HA ALA A 38 34.085 30.352 11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 38 34.611 32.798 11.506 1.00 0.00 H new ATOM 0 HB2 ALA A 38 33.575 32.158 10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 38 32.867 33.150 11.505 1.00 0.00 H new ATOM 640 N PHE A 39 32.564 31.642 14.416 1.00 0.00 N ATOM 641 CA PHE A 39 32.717 32.118 15.801 1.00 0.00 C ATOM 642 C PHE A 39 31.555 31.725 16.731 1.00 0.00 C ATOM 643 O PHE A 39 30.389 31.710 16.340 1.00 0.00 O ATOM 644 CB PHE A 39 32.889 33.647 15.815 1.00 0.00 C ATOM 645 CG PHE A 39 34.192 34.140 15.199 1.00 0.00 C ATOM 646 CD1 PHE A 39 35.394 34.040 15.927 1.00 0.00 C ATOM 647 CD2 PHE A 39 34.225 34.633 13.879 1.00 0.00 C ATOM 648 CE1 PHE A 39 36.619 34.382 15.328 1.00 0.00 C ATOM 649 CE2 PHE A 39 35.446 35.009 13.292 1.00 0.00 C ATOM 650 CZ PHE A 39 36.645 34.875 14.012 1.00 0.00 C ATOM 0 H PHE A 39 31.592 31.517 14.132 1.00 0.00 H new ATOM 0 HA PHE A 39 33.607 31.624 16.191 1.00 0.00 H new ATOM 0 HB2 PHE A 39 32.054 34.099 15.279 1.00 0.00 H new ATOM 0 HB3 PHE A 39 32.833 33.997 16.846 1.00 0.00 H new ATOM 0 HD1 PHE A 39 35.374 33.699 16.951 1.00 0.00 H new ATOM 0 HD2 PHE A 39 33.308 34.722 13.316 1.00 0.00 H new ATOM 0 HE1 PHE A 39 37.540 34.266 15.879 1.00 0.00 H new ATOM 0 HE2 PHE A 39 35.462 35.401 12.286 1.00 0.00 H new ATOM 0 HZ PHE A 39 37.584 35.150 13.555 1.00 0.00 H new ATOM 660 N GLY A 40 31.888 31.462 17.998 1.00 0.00 N ATOM 661 CA GLY A 40 30.937 31.142 19.064 1.00 0.00 C ATOM 662 C GLY A 40 30.596 32.347 19.944 1.00 0.00 C ATOM 663 O GLY A 40 31.496 33.025 20.443 1.00 0.00 O ATOM 0 H GLY A 40 32.856 31.466 18.319 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.021 30.752 18.621 1.00 0.00 H new ATOM 0 HA3 GLY A 40 31.352 30.350 19.687 1.00 0.00 H new ATOM 667 N PHE A 41 29.300 32.570 20.167 1.00 0.00 N ATOM 668 CA PHE A 41 28.752 33.601 21.048 1.00 0.00 C ATOM 669 C PHE A 41 27.584 33.070 21.898 1.00 0.00 C ATOM 670 O PHE A 41 26.871 32.140 21.517 1.00 0.00 O ATOM 671 CB PHE A 41 28.300 34.821 20.219 1.00 0.00 C ATOM 672 CG PHE A 41 29.284 35.972 20.215 1.00 0.00 C ATOM 673 CD1 PHE A 41 29.224 36.945 21.231 1.00 0.00 C ATOM 674 CD2 PHE A 41 30.258 36.076 19.205 1.00 0.00 C ATOM 675 CE1 PHE A 41 30.138 38.012 21.244 1.00 0.00 C ATOM 676 CE2 PHE A 41 31.162 37.154 19.211 1.00 0.00 C ATOM 677 CZ PHE A 41 31.102 38.118 20.229 1.00 0.00 C ATOM 0 H PHE A 41 28.573 32.013 19.719 1.00 0.00 H new ATOM 0 HA PHE A 41 29.543 33.904 21.734 1.00 0.00 H new ATOM 0 HB2 PHE A 41 28.127 34.503 19.191 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.345 35.176 20.608 1.00 0.00 H new ATOM 0 HD1 PHE A 41 28.473 36.871 22.003 1.00 0.00 H new ATOM 0 HD2 PHE A 41 30.312 35.330 18.426 1.00 0.00 H new ATOM 0 HE1 PHE A 41 30.099 38.749 22.033 1.00 0.00 H new ATOM 0 HE2 PHE A 41 31.904 37.240 18.431 1.00 0.00 H new ATOM 0 HZ PHE A 41 31.799 38.943 20.232 1.00 0.00 H new ATOM 687 N ILE A 42 27.345 33.720 23.035 1.00 0.00 N ATOM 688 CA ILE A 42 26.149 33.560 23.876 1.00 0.00 C ATOM 689 C ILE A 42 25.665 34.941 24.335 1.00 0.00 C ATOM 690 O ILE A 42 26.464 35.874 24.417 1.00 0.00 O ATOM 691 CB ILE A 42 26.448 32.554 25.025 1.00 0.00 C ATOM 692 CG1 ILE A 42 25.783 31.212 24.658 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.001 33.006 26.429 1.00 0.00 C ATOM 694 CD1 ILE A 42 26.219 30.019 25.505 1.00 0.00 C ATOM 0 H ILE A 42 28.002 34.401 23.415 1.00 0.00 H new ATOM 0 HA ILE A 42 25.321 33.124 23.317 1.00 0.00 H new ATOM 0 HB ILE A 42 27.532 32.472 25.103 1.00 0.00 H new ATOM 0 HG12 ILE A 42 24.702 31.324 24.746 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.997 30.993 23.612 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.255 32.236 27.157 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.509 33.934 26.691 1.00 0.00 H new ATOM 0 HG23 ILE A 42 24.923 33.168 26.433 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.696 29.124 25.169 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.294 29.872 25.400 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.979 30.209 26.551 1.00 0.00 H new ATOM 706 N GLN A 43 24.374 35.083 24.640 1.00 0.00 N ATOM 707 CA GLN A 43 23.831 36.254 25.340 1.00 0.00 C ATOM 708 C GLN A 43 22.853 35.782 26.416 1.00 0.00 C ATOM 709 O GLN A 43 21.815 35.230 26.069 1.00 0.00 O ATOM 710 CB GLN A 43 23.140 37.232 24.371 1.00 0.00 C ATOM 711 CG GLN A 43 24.053 37.763 23.255 1.00 0.00 C ATOM 712 CD GLN A 43 23.513 39.052 22.644 1.00 0.00 C ATOM 713 OE1 GLN A 43 24.097 40.120 22.762 1.00 0.00 O ATOM 714 NE2 GLN A 43 22.390 39.032 21.968 1.00 0.00 N ATOM 0 H GLN A 43 23.668 34.384 24.407 1.00 0.00 H new ATOM 0 HA GLN A 43 24.657 36.796 25.802 1.00 0.00 H new ATOM 0 HB2 GLN A 43 22.284 36.733 23.918 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.752 38.077 24.940 1.00 0.00 H new ATOM 0 HG2 GLN A 43 25.051 37.941 23.656 1.00 0.00 H new ATOM 0 HG3 GLN A 43 24.153 37.006 22.477 1.00 0.00 H new ATOM 0 HE21 GLN A 43 21.880 38.156 21.852 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.026 39.892 21.558 1.00 0.00 H new ATOM 723 N PHE A 44 23.178 35.979 27.698 1.00 0.00 N ATOM 724 CA PHE A 44 22.390 35.558 28.867 1.00 0.00 C ATOM 725 C PHE A 44 21.914 36.751 29.711 1.00 0.00 C ATOM 726 O PHE A 44 22.481 37.846 29.652 1.00 0.00 O ATOM 727 CB PHE A 44 23.183 34.552 29.725 1.00 0.00 C ATOM 728 CG PHE A 44 23.355 33.127 29.208 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.750 32.658 28.023 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.118 32.227 29.977 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.925 31.332 27.598 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.289 30.896 29.557 1.00 0.00 C ATOM 733 CZ PHE A 44 23.699 30.449 28.363 1.00 0.00 C ATOM 0 H PHE A 44 24.038 36.459 27.964 1.00 0.00 H new ATOM 0 HA PHE A 44 21.495 35.062 28.491 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.178 34.967 29.887 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.699 34.494 30.700 1.00 0.00 H new ATOM 0 HD1 PHE A 44 22.143 33.330 27.434 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.575 32.562 30.896 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.464 30.992 26.682 1.00 0.00 H new ATOM 0 HE2 PHE A 44 24.876 30.215 30.155 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.841 29.430 28.036 1.00 0.00 H new ATOM 743 N ASP A 45 20.859 36.534 30.500 1.00 0.00 N ATOM 744 CA ASP A 45 20.474 37.417 31.604 1.00 0.00 C ATOM 745 C ASP A 45 21.366 37.145 32.826 1.00 0.00 C ATOM 746 O ASP A 45 21.842 36.028 33.001 1.00 0.00 O ATOM 747 CB ASP A 45 18.979 37.228 31.906 1.00 0.00 C ATOM 748 CG ASP A 45 18.347 38.278 32.822 1.00 0.00 C ATOM 749 OD1 ASP A 45 19.027 39.176 33.372 1.00 0.00 O ATOM 750 OD2 ASP A 45 17.107 38.216 33.005 1.00 0.00 O ATOM 0 H ASP A 45 20.241 35.731 30.389 1.00 0.00 H new ATOM 0 HA ASP A 45 20.624 38.461 31.329 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.435 37.222 30.962 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.840 36.247 32.360 1.00 0.00 H new ATOM 755 N ASN A 46 21.570 38.168 33.657 1.00 0.00 N ATOM 756 CA ASN A 46 22.481 38.234 34.805 1.00 0.00 C ATOM 757 C ASN A 46 23.927 37.749 34.507 1.00 0.00 C ATOM 758 O ASN A 46 24.191 36.546 34.559 1.00 0.00 O ATOM 759 CB ASN A 46 21.857 37.512 36.011 1.00 0.00 C ATOM 760 CG ASN A 46 22.631 37.746 37.297 1.00 0.00 C ATOM 761 OD1 ASN A 46 23.541 38.562 37.372 1.00 0.00 O ATOM 762 ND2 ASN A 46 22.298 37.050 38.354 1.00 0.00 N ATOM 0 H ASN A 46 21.062 39.044 33.536 1.00 0.00 H new ATOM 0 HA ASN A 46 22.604 39.289 35.048 1.00 0.00 H new ATOM 0 HB2 ASN A 46 20.830 37.853 36.142 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.814 36.442 35.807 1.00 0.00 H new ATOM 0 HD21 ASN A 46 22.795 37.189 39.234 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.541 36.369 38.298 1.00 0.00 H new ATOM 769 N PRO A 47 24.913 38.652 34.305 1.00 0.00 N ATOM 770 CA PRO A 47 26.316 38.277 34.056 1.00 0.00 C ATOM 771 C PRO A 47 26.959 37.384 35.129 1.00 0.00 C ATOM 772 O PRO A 47 28.020 36.819 34.878 1.00 0.00 O ATOM 773 CB PRO A 47 27.092 39.596 33.923 1.00 0.00 C ATOM 774 CG PRO A 47 26.209 40.600 34.652 1.00 0.00 C ATOM 775 CD PRO A 47 24.804 40.105 34.337 1.00 0.00 C ATOM 0 HA PRO A 47 26.349 37.663 33.156 1.00 0.00 H new ATOM 0 HB2 PRO A 47 28.081 39.528 34.376 1.00 0.00 H new ATOM 0 HB3 PRO A 47 27.238 39.873 32.879 1.00 0.00 H new ATOM 0 HG2 PRO A 47 26.404 40.607 35.724 1.00 0.00 H new ATOM 0 HG3 PRO A 47 26.370 41.616 34.292 1.00 0.00 H new ATOM 0 HD2 PRO A 47 24.092 40.431 35.095 1.00 0.00 H new ATOM 0 HD3 PRO A 47 24.453 40.495 33.382 1.00 0.00 H new ATOM 783 N GLN A 48 26.336 37.202 36.295 1.00 0.00 N ATOM 784 CA GLN A 48 26.823 36.311 37.346 1.00 0.00 C ATOM 785 C GLN A 48 26.906 34.840 36.918 1.00 0.00 C ATOM 786 O GLN A 48 27.869 34.176 37.306 1.00 0.00 O ATOM 787 CB GLN A 48 25.937 36.460 38.585 1.00 0.00 C ATOM 788 CG GLN A 48 26.088 37.865 39.184 1.00 0.00 C ATOM 789 CD GLN A 48 25.106 38.188 40.296 1.00 0.00 C ATOM 790 OE1 GLN A 48 24.186 37.448 40.638 1.00 0.00 O ATOM 791 NE2 GLN A 48 25.279 39.333 40.914 1.00 0.00 N ATOM 0 H GLN A 48 25.467 37.677 36.538 1.00 0.00 H new ATOM 0 HA GLN A 48 27.846 36.611 37.571 1.00 0.00 H new ATOM 0 HB2 GLN A 48 24.895 36.281 38.319 1.00 0.00 H new ATOM 0 HB3 GLN A 48 26.210 35.710 39.327 1.00 0.00 H new ATOM 0 HG2 GLN A 48 27.102 37.974 39.570 1.00 0.00 H new ATOM 0 HG3 GLN A 48 25.969 38.600 38.388 1.00 0.00 H new ATOM 0 HE21 GLN A 48 26.040 39.953 40.636 1.00 0.00 H new ATOM 0 HE22 GLN A 48 24.652 39.603 41.672 1.00 0.00 H new ATOM 800 N SER A 49 25.977 34.338 36.091 1.00 0.00 N ATOM 801 CA SER A 49 26.068 32.968 35.553 1.00 0.00 C ATOM 802 C SER A 49 27.216 32.839 34.550 1.00 0.00 C ATOM 803 O SER A 49 27.971 31.868 34.580 1.00 0.00 O ATOM 804 CB SER A 49 24.750 32.544 34.896 1.00 0.00 C ATOM 805 OG SER A 49 24.483 33.306 33.736 1.00 0.00 O ATOM 0 H SER A 49 25.156 34.856 35.780 1.00 0.00 H new ATOM 0 HA SER A 49 26.268 32.304 36.394 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.795 31.486 34.636 1.00 0.00 H new ATOM 0 HB3 SER A 49 23.933 32.663 35.607 1.00 0.00 H new ATOM 0 HG SER A 49 23.665 32.976 33.309 1.00 0.00 H new ATOM 811 N VAL A 50 27.401 33.862 33.709 1.00 0.00 N ATOM 812 CA VAL A 50 28.480 33.935 32.718 1.00 0.00 C ATOM 813 C VAL A 50 29.839 34.042 33.413 1.00 0.00 C ATOM 814 O VAL A 50 30.746 33.287 33.082 1.00 0.00 O ATOM 815 CB VAL A 50 28.236 35.085 31.717 1.00 0.00 C ATOM 816 CG1 VAL A 50 29.318 35.144 30.633 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.887 34.904 31.003 1.00 0.00 C ATOM 0 H VAL A 50 26.792 34.680 33.698 1.00 0.00 H new ATOM 0 HA VAL A 50 28.487 33.013 32.137 1.00 0.00 H new ATOM 0 HB VAL A 50 28.251 36.005 32.301 1.00 0.00 H new ATOM 0 HG11 VAL A 50 29.106 35.968 29.951 1.00 0.00 H new ATOM 0 HG12 VAL A 50 30.291 35.300 31.098 1.00 0.00 H new ATOM 0 HG13 VAL A 50 29.328 34.206 30.077 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.733 35.724 30.302 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.886 33.958 30.461 1.00 0.00 H new ATOM 0 HG23 VAL A 50 26.083 34.901 31.739 1.00 0.00 H new ATOM 827 N ARG A 51 29.991 34.890 34.436 1.00 0.00 N ATOM 828 CA ARG A 51 31.225 34.980 35.233 1.00 0.00 C ATOM 829 C ARG A 51 31.508 33.682 35.992 1.00 0.00 C ATOM 830 O ARG A 51 32.657 33.248 36.008 1.00 0.00 O ATOM 831 CB ARG A 51 31.153 36.206 36.164 1.00 0.00 C ATOM 832 CG ARG A 51 32.367 36.368 37.100 1.00 0.00 C ATOM 833 CD ARG A 51 33.702 36.545 36.361 1.00 0.00 C ATOM 834 NE ARG A 51 34.843 36.423 37.289 1.00 0.00 N ATOM 835 CZ ARG A 51 36.060 36.019 36.974 1.00 0.00 C ATOM 836 NH1 ARG A 51 36.445 35.820 35.746 1.00 0.00 N ATOM 837 NH2 ARG A 51 36.933 35.806 37.908 1.00 0.00 N ATOM 0 H ARG A 51 29.261 35.536 34.737 1.00 0.00 H new ATOM 0 HA ARG A 51 32.070 35.118 34.559 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.057 37.105 35.554 1.00 0.00 H new ATOM 0 HB3 ARG A 51 30.250 36.134 36.770 1.00 0.00 H new ATOM 0 HG2 ARG A 51 32.203 37.231 37.746 1.00 0.00 H new ATOM 0 HG3 ARG A 51 32.434 35.493 37.747 1.00 0.00 H new ATOM 0 HD2 ARG A 51 33.788 35.796 35.574 1.00 0.00 H new ATOM 0 HD3 ARG A 51 33.726 37.521 35.876 1.00 0.00 H new ATOM 0 HE ARG A 51 34.676 36.674 38.263 1.00 0.00 H new ATOM 0 HH11 ARG A 51 35.795 35.977 34.976 1.00 0.00 H new ATOM 0 HH12 ARG A 51 37.397 35.507 35.554 1.00 0.00 H new ATOM 0 HH21 ARG A 51 36.680 35.950 38.885 1.00 0.00 H new ATOM 0 HH22 ARG A 51 37.873 35.494 37.666 1.00 0.00 H new ATOM 851 N ASP A 52 30.488 33.038 36.566 1.00 0.00 N ATOM 852 CA ASP A 52 30.635 31.761 37.278 1.00 0.00 C ATOM 853 C ASP A 52 31.074 30.606 36.361 1.00 0.00 C ATOM 854 O ASP A 52 31.863 29.747 36.770 1.00 0.00 O ATOM 855 CB ASP A 52 29.326 31.391 37.978 1.00 0.00 C ATOM 856 CG ASP A 52 29.551 30.208 38.910 1.00 0.00 C ATOM 857 OD1 ASP A 52 30.293 30.363 39.904 1.00 0.00 O ATOM 858 OD2 ASP A 52 28.957 29.126 38.721 1.00 0.00 O ATOM 0 H ASP A 52 29.530 33.388 36.551 1.00 0.00 H new ATOM 0 HA ASP A 52 31.426 31.907 38.013 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.953 32.245 38.544 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.566 31.142 37.238 1.00 0.00 H new ATOM 863 N ALA A 53 30.596 30.617 35.115 1.00 0.00 N ATOM 864 CA ALA A 53 31.032 29.716 34.058 1.00 0.00 C ATOM 865 C ALA A 53 32.437 30.061 33.543 1.00 0.00 C ATOM 866 O ALA A 53 33.242 29.151 33.377 1.00 0.00 O ATOM 867 CB ALA A 53 29.980 29.742 32.951 1.00 0.00 C ATOM 0 H ALA A 53 29.876 31.272 34.810 1.00 0.00 H new ATOM 0 HA ALA A 53 31.118 28.703 34.451 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.283 29.074 32.145 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.021 29.414 33.353 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.884 30.757 32.564 1.00 0.00 H new ATOM 873 N ILE A 54 32.799 31.342 33.376 1.00 0.00 N ATOM 874 CA ILE A 54 34.167 31.750 33.000 1.00 0.00 C ATOM 875 C ILE A 54 35.183 31.257 34.035 1.00 0.00 C ATOM 876 O ILE A 54 36.169 30.621 33.665 1.00 0.00 O ATOM 877 CB ILE A 54 34.276 33.277 32.769 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.534 33.670 31.472 1.00 0.00 C ATOM 879 CG2 ILE A 54 35.750 33.722 32.664 1.00 0.00 C ATOM 880 CD1 ILE A 54 33.311 35.174 31.295 1.00 0.00 C ATOM 0 H ILE A 54 32.156 32.124 33.497 1.00 0.00 H new ATOM 0 HA ILE A 54 34.403 31.276 32.047 1.00 0.00 H new ATOM 0 HB ILE A 54 33.820 33.777 33.624 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.100 33.297 30.618 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.566 33.168 31.457 1.00 0.00 H new ATOM 0 HG21 ILE A 54 35.794 34.799 32.502 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.272 33.472 33.588 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.226 33.209 31.828 1.00 0.00 H new ATOM 0 HD11 ILE A 54 32.784 35.356 30.358 1.00 0.00 H new ATOM 0 HD12 ILE A 54 32.716 35.554 32.126 1.00 0.00 H new ATOM 0 HD13 ILE A 54 34.274 35.685 31.274 1.00 0.00 H new ATOM 892 N GLU A 55 34.936 31.476 35.331 1.00 0.00 N ATOM 893 CA GLU A 55 35.849 31.006 36.381 1.00 0.00 C ATOM 894 C GLU A 55 35.865 29.475 36.549 1.00 0.00 C ATOM 895 O GLU A 55 36.779 28.949 37.189 1.00 0.00 O ATOM 896 CB GLU A 55 35.573 31.713 37.718 1.00 0.00 C ATOM 897 CG GLU A 55 34.245 31.314 38.367 1.00 0.00 C ATOM 898 CD GLU A 55 34.022 32.021 39.703 1.00 0.00 C ATOM 899 OE1 GLU A 55 33.929 33.273 39.739 1.00 0.00 O ATOM 900 OE2 GLU A 55 33.955 31.328 40.746 1.00 0.00 O ATOM 0 H GLU A 55 34.116 31.973 35.678 1.00 0.00 H new ATOM 0 HA GLU A 55 36.850 31.277 36.047 1.00 0.00 H new ATOM 0 HB2 GLU A 55 36.386 31.491 38.410 1.00 0.00 H new ATOM 0 HB3 GLU A 55 35.578 32.791 37.556 1.00 0.00 H new ATOM 0 HG2 GLU A 55 33.425 31.553 37.690 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.227 30.235 38.521 1.00 0.00 H new ATOM 907 N CYS A 56 34.882 28.759 35.992 1.00 0.00 N ATOM 908 CA CYS A 56 34.827 27.298 35.982 1.00 0.00 C ATOM 909 C CYS A 56 35.542 26.716 34.753 1.00 0.00 C ATOM 910 O CYS A 56 36.463 25.907 34.886 1.00 0.00 O ATOM 911 CB CYS A 56 33.356 26.863 36.052 1.00 0.00 C ATOM 912 SG CYS A 56 33.242 25.113 36.512 1.00 0.00 S ATOM 0 H CYS A 56 34.085 29.192 35.525 1.00 0.00 H new ATOM 0 HA CYS A 56 35.356 26.906 36.851 1.00 0.00 H new ATOM 0 HB2 CYS A 56 32.823 27.474 36.781 1.00 0.00 H new ATOM 0 HB3 CYS A 56 32.875 27.025 35.087 1.00 0.00 H new ATOM 0 HG CYS A 56 34.335 24.501 36.164 1.00 0.00 H new ATOM 918 N GLU A 57 35.142 27.142 33.557 1.00 0.00 N ATOM 919 CA GLU A 57 35.550 26.591 32.264 1.00 0.00 C ATOM 920 C GLU A 57 36.832 27.209 31.707 1.00 0.00 C ATOM 921 O GLU A 57 37.632 26.470 31.140 1.00 0.00 O ATOM 922 CB GLU A 57 34.419 26.768 31.246 1.00 0.00 C ATOM 923 CG GLU A 57 33.243 25.811 31.478 1.00 0.00 C ATOM 924 CD GLU A 57 33.561 24.381 31.028 1.00 0.00 C ATOM 925 OE1 GLU A 57 33.910 24.163 29.846 1.00 0.00 O ATOM 926 OE2 GLU A 57 33.498 23.453 31.868 1.00 0.00 O ATOM 0 H GLU A 57 34.491 27.921 33.457 1.00 0.00 H new ATOM 0 HA GLU A 57 35.760 25.535 32.435 1.00 0.00 H new ATOM 0 HB2 GLU A 57 34.057 27.795 31.289 1.00 0.00 H new ATOM 0 HB3 GLU A 57 34.814 26.611 30.242 1.00 0.00 H new ATOM 0 HG2 GLU A 57 32.983 25.807 32.537 1.00 0.00 H new ATOM 0 HG3 GLU A 57 32.369 26.174 30.937 1.00 0.00 H new ATOM 933 N SER A 58 37.084 28.513 31.881 1.00 0.00 N ATOM 934 CA SER A 58 38.306 29.129 31.330 1.00 0.00 C ATOM 935 C SER A 58 39.570 28.612 32.026 1.00 0.00 C ATOM 936 O SER A 58 40.643 28.623 31.426 1.00 0.00 O ATOM 937 CB SER A 58 38.247 30.662 31.369 1.00 0.00 C ATOM 938 OG SER A 58 39.022 31.199 30.311 1.00 0.00 O ATOM 0 H SER A 58 36.474 29.154 32.388 1.00 0.00 H new ATOM 0 HA SER A 58 38.358 28.829 30.283 1.00 0.00 H new ATOM 0 HB2 SER A 58 37.214 30.998 31.282 1.00 0.00 H new ATOM 0 HB3 SER A 58 38.620 31.025 32.326 1.00 0.00 H new ATOM 0 HG SER A 58 38.980 32.178 30.339 1.00 0.00 H new ATOM 944 N GLN A 59 39.437 28.097 33.254 1.00 0.00 N ATOM 945 CA GLN A 59 40.492 27.381 33.968 1.00 0.00 C ATOM 946 C GLN A 59 40.879 26.068 33.262 1.00 0.00 C ATOM 947 O GLN A 59 40.018 25.312 32.803 1.00 0.00 O ATOM 948 CB GLN A 59 40.039 27.123 35.415 1.00 0.00 C ATOM 949 CG GLN A 59 41.145 26.519 36.302 1.00 0.00 C ATOM 950 CD GLN A 59 40.690 26.256 37.734 1.00 0.00 C ATOM 951 OE1 GLN A 59 39.505 26.152 38.041 1.00 0.00 O ATOM 952 NE2 GLN A 59 41.604 26.100 38.662 1.00 0.00 N ATOM 0 H GLN A 59 38.571 28.170 33.788 1.00 0.00 H new ATOM 0 HA GLN A 59 41.388 28.002 33.975 1.00 0.00 H new ATOM 0 HB2 GLN A 59 39.702 28.061 35.855 1.00 0.00 H new ATOM 0 HB3 GLN A 59 39.182 26.449 35.405 1.00 0.00 H new ATOM 0 HG2 GLN A 59 41.487 25.584 35.859 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.999 27.196 36.318 1.00 0.00 H new ATOM 0 HE21 GLN A 59 42.592 26.183 38.424 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.326 25.896 39.622 1.00 0.00 H new ATOM 1097 N ILE A 68 39.472 30.270 25.752 1.00 0.00 N ATOM 1098 CA ILE A 68 39.508 31.644 26.277 1.00 0.00 C ATOM 1099 C ILE A 68 38.094 32.222 26.267 1.00 0.00 C ATOM 1100 O ILE A 68 37.434 32.199 25.232 1.00 0.00 O ATOM 1101 CB ILE A 68 40.477 32.497 25.426 1.00 0.00 C ATOM 1102 CG1 ILE A 68 41.959 32.095 25.593 1.00 0.00 C ATOM 1103 CG2 ILE A 68 40.310 34.001 25.675 1.00 0.00 C ATOM 1104 CD1 ILE A 68 42.553 32.373 26.975 1.00 0.00 C ATOM 0 HA ILE A 68 39.872 31.648 27.305 1.00 0.00 H new ATOM 0 HB ILE A 68 40.196 32.285 24.395 1.00 0.00 H new ATOM 0 HG12 ILE A 68 42.057 31.031 25.379 1.00 0.00 H new ATOM 0 HG13 ILE A 68 42.550 32.626 24.847 1.00 0.00 H new ATOM 0 HG21 ILE A 68 41.014 34.553 25.053 1.00 0.00 H new ATOM 0 HG22 ILE A 68 39.292 34.300 25.425 1.00 0.00 H new ATOM 0 HG23 ILE A 68 40.505 34.220 26.725 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.596 32.057 26.993 1.00 0.00 H new ATOM 0 HD12 ILE A 68 42.494 33.440 27.189 1.00 0.00 H new ATOM 0 HD13 ILE A 68 41.993 31.820 27.730 1.00 0.00 H new ATOM 1116 N LEU A 69 37.629 32.747 27.403 1.00 0.00 N ATOM 1117 CA LEU A 69 36.237 33.176 27.582 1.00 0.00 C ATOM 1118 C LEU A 69 36.167 34.643 28.041 1.00 0.00 C ATOM 1119 O LEU A 69 36.827 35.023 29.014 1.00 0.00 O ATOM 1120 CB LEU A 69 35.543 32.230 28.585 1.00 0.00 C ATOM 1121 CG LEU A 69 35.698 30.720 28.318 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.999 29.897 29.398 1.00 0.00 C ATOM 1123 CD2 LEU A 69 35.099 30.300 26.979 1.00 0.00 C ATOM 0 H LEU A 69 38.209 32.888 28.230 1.00 0.00 H new ATOM 0 HA LEU A 69 35.713 33.120 26.628 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.931 32.443 29.581 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.479 32.468 28.600 1.00 0.00 H new ATOM 0 HG LEU A 69 36.772 30.533 28.315 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.124 28.835 29.185 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.436 30.126 30.370 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.937 30.141 29.411 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.235 29.227 26.840 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.035 30.536 26.967 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.599 30.837 26.173 1.00 0.00 H new ATOM 1135 N GLU A 70 35.364 35.473 27.370 1.00 0.00 N ATOM 1136 CA GLU A 70 35.213 36.894 27.720 1.00 0.00 C ATOM 1137 C GLU A 70 33.755 37.358 27.776 1.00 0.00 C ATOM 1138 O GLU A 70 33.004 37.215 26.813 1.00 0.00 O ATOM 1139 CB GLU A 70 36.052 37.774 26.777 1.00 0.00 C ATOM 1140 CG GLU A 70 36.015 39.274 27.125 1.00 0.00 C ATOM 1141 CD GLU A 70 36.709 39.614 28.452 1.00 0.00 C ATOM 1142 OE1 GLU A 70 36.270 39.145 29.528 1.00 0.00 O ATOM 1143 OE2 GLU A 70 37.720 40.358 28.442 1.00 0.00 O ATOM 0 H GLU A 70 34.800 35.183 26.571 1.00 0.00 H new ATOM 0 HA GLU A 70 35.593 37.007 28.735 1.00 0.00 H new ATOM 0 HB2 GLU A 70 37.086 37.431 26.801 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.695 37.639 25.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.490 39.837 26.321 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.977 39.602 27.173 1.00 0.00 H new ATOM 1150 N VAL A 71 33.381 37.970 28.904 1.00 0.00 N ATOM 1151 CA VAL A 71 32.069 38.596 29.121 1.00 0.00 C ATOM 1152 C VAL A 71 32.087 40.067 28.696 1.00 0.00 C ATOM 1153 O VAL A 71 33.081 40.772 28.880 1.00 0.00 O ATOM 1154 CB VAL A 71 31.594 38.400 30.578 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.536 39.004 31.627 1.00 0.00 C ATOM 1156 CG2 VAL A 71 30.182 38.942 30.817 1.00 0.00 C ATOM 0 H VAL A 71 33.997 38.047 29.713 1.00 0.00 H new ATOM 0 HA VAL A 71 31.337 38.096 28.486 1.00 0.00 H new ATOM 0 HB VAL A 71 31.595 37.317 30.706 1.00 0.00 H new ATOM 0 HG11 VAL A 71 32.133 38.825 32.624 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.519 38.540 31.544 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.626 40.077 31.460 1.00 0.00 H new ATOM 0 HG21 VAL A 71 29.900 38.777 31.857 1.00 0.00 H new ATOM 0 HG22 VAL A 71 30.161 40.010 30.600 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.479 38.425 30.164 1.00 0.00 H new ATOM 1166 N SER A 72 30.972 40.547 28.156 1.00 0.00 N ATOM 1167 CA SER A 72 30.706 41.963 27.884 1.00 0.00 C ATOM 1168 C SER A 72 29.232 42.262 28.159 1.00 0.00 C ATOM 1169 O SER A 72 28.382 41.381 28.039 1.00 0.00 O ATOM 1170 CB SER A 72 31.103 42.284 26.442 1.00 0.00 C ATOM 1171 OG SER A 72 30.819 43.621 26.082 1.00 0.00 O ATOM 0 H SER A 72 30.197 39.942 27.884 1.00 0.00 H new ATOM 0 HA SER A 72 31.300 42.599 28.540 1.00 0.00 H new ATOM 0 HB2 SER A 72 32.169 42.096 26.313 1.00 0.00 H new ATOM 0 HB3 SER A 72 30.576 41.610 25.766 1.00 0.00 H new ATOM 0 HG SER A 72 31.093 43.775 25.154 1.00 0.00 H new ATOM 1177 N SER A 73 28.913 43.491 28.553 1.00 0.00 N ATOM 1178 CA SER A 73 27.560 43.868 28.970 1.00 0.00 C ATOM 1179 C SER A 73 27.122 45.227 28.439 1.00 0.00 C ATOM 1180 O SER A 73 27.948 46.108 28.169 1.00 0.00 O ATOM 1181 CB SER A 73 27.445 43.814 30.500 1.00 0.00 C ATOM 1182 OG SER A 73 28.403 44.645 31.134 1.00 0.00 O ATOM 0 H SER A 73 29.585 44.258 28.593 1.00 0.00 H new ATOM 0 HA SER A 73 26.879 43.140 28.529 1.00 0.00 H new ATOM 0 HB2 SER A 73 26.443 44.122 30.799 1.00 0.00 H new ATOM 0 HB3 SER A 73 27.577 42.786 30.837 1.00 0.00 H new ATOM 0 HG SER A 73 28.296 44.584 32.106 1.00 0.00 H new