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 Set 1.1: A 46 ASN : amide:sc= -0.135 K(o=0.1,f=-3.5!) USER MOD Set 1.2: A 48 GLN : amide:sc= 0.0736 K(o=0.1,f=-2.5!) USER MOD Set 1.3: A 49 SER OG : rot -113:sc= 0.166 USER MOD Set 2.1: A 32 GLN : amide:sc= 0.492 K(o=2.6,f=-2.7) USER MOD Set 2.2: A 34 ASN : amide:sc= 1.58 K(o=2.6,f=-2.3!) USER MOD Set 2.3: A 43 GLN : amide:sc= 0.478 K(o=2.6,f=-2.9) USER MOD Set 3.1: A 3 SER OG : rot 68:sc= 0.955 USER MOD Set 3.2: A 73 SER OG : rot 180:sc= 0.818 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.27 K(o=0.27,f=0.9) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 SER OG : rot -50:sc= 1.27 USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00942) USER MOD Single : A 25 SER OG : rot 159:sc= 2.02 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0215 X(o=-0.021,f=-0.0076) USER MOD Single : A 31 MET CE :methyl -143:sc= -0.0139 (180deg=-0.243) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0821 K(o=-0.082,f=-3.2) USER MOD Single : A 56 CYS SG : rot 82:sc= 0.6 USER MOD Single : A 58 SER OG : rot -38:sc= 0.245 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.770 41.618 33.539 1.00 0.00 N ATOM 2 CA PRO A 1 20.091 42.279 33.604 1.00 0.00 C ATOM 3 C PRO A 1 20.909 42.277 32.292 1.00 0.00 C ATOM 4 O PRO A 1 21.467 43.313 31.955 1.00 0.00 O ATOM 5 CB PRO A 1 20.814 41.641 34.796 1.00 0.00 C ATOM 6 CG PRO A 1 19.691 41.098 35.694 1.00 0.00 C ATOM 7 CD PRO A 1 18.412 41.496 34.961 1.00 0.00 C ATOM 0 H2 PRO A 1 18.821 40.709 33.080 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.090 42.175 33.022 1.00 0.00 H new ATOM 0 HA PRO A 1 19.958 43.351 33.747 1.00 0.00 H new ATOM 0 HB2 PRO A 1 21.482 40.843 34.472 1.00 0.00 H new ATOM 0 HB3 PRO A 1 21.425 42.372 35.325 1.00 0.00 H new ATOM 0 HG2 PRO A 1 19.763 40.017 35.815 1.00 0.00 H new ATOM 0 HG3 PRO A 1 19.732 41.533 36.692 1.00 0.00 H new ATOM 0 HD2 PRO A 1 17.634 40.746 35.103 1.00 0.00 H new ATOM 0 HD3 PRO A 1 18.021 42.438 35.345 1.00 0.00 H new ATOM 17 N LYS A 2 20.953 41.158 31.546 1.00 0.00 N ATOM 18 CA LYS A 2 21.573 40.969 30.204 1.00 0.00 C ATOM 19 C LYS A 2 23.104 41.117 30.125 1.00 0.00 C ATOM 20 O LYS A 2 23.663 42.174 30.411 1.00 0.00 O ATOM 21 CB LYS A 2 20.928 41.896 29.150 1.00 0.00 C ATOM 22 CG LYS A 2 19.391 41.841 29.052 1.00 0.00 C ATOM 23 CD LYS A 2 18.761 43.228 28.873 1.00 0.00 C ATOM 24 CE LYS A 2 18.978 44.101 30.116 1.00 0.00 C ATOM 25 NZ LYS A 2 18.278 45.394 30.008 1.00 0.00 N ATOM 0 H LYS A 2 20.528 40.294 31.882 1.00 0.00 H new ATOM 0 HA LYS A 2 21.368 39.920 29.991 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.222 42.922 29.370 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.344 41.647 28.173 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.107 41.206 28.213 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.990 41.377 29.953 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.195 43.718 28.001 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.693 43.123 28.681 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.624 43.569 30.999 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.045 44.276 30.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.449 45.954 30.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.633 45.913 29.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.257 45.228 29.901 1.00 0.00 H new ATOM 39 N SER A 3 23.778 40.086 29.616 1.00 0.00 N ATOM 40 CA SER A 3 25.215 40.065 29.297 1.00 0.00 C ATOM 41 C SER A 3 25.509 39.158 28.091 1.00 0.00 C ATOM 42 O SER A 3 24.624 38.444 27.613 1.00 0.00 O ATOM 43 CB SER A 3 25.986 39.579 30.524 1.00 0.00 C ATOM 44 OG SER A 3 27.350 39.916 30.431 1.00 0.00 O ATOM 0 H SER A 3 23.321 39.199 29.403 1.00 0.00 H new ATOM 0 HA SER A 3 25.532 41.074 29.032 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.559 40.021 31.424 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.881 38.498 30.619 1.00 0.00 H new ATOM 0 HG SER A 3 27.451 40.889 30.487 1.00 0.00 H new ATOM 50 N ARG A 4 26.749 39.161 27.594 1.00 0.00 N ATOM 51 CA ARG A 4 27.219 38.316 26.488 1.00 0.00 C ATOM 52 C ARG A 4 28.578 37.671 26.756 1.00 0.00 C ATOM 53 O ARG A 4 29.340 38.116 27.610 1.00 0.00 O ATOM 54 CB ARG A 4 27.180 39.088 25.158 1.00 0.00 C ATOM 55 CG ARG A 4 28.340 40.065 24.928 1.00 0.00 C ATOM 56 CD ARG A 4 28.326 40.621 23.505 1.00 0.00 C ATOM 57 NE ARG A 4 27.177 41.510 23.269 1.00 0.00 N ATOM 58 CZ ARG A 4 26.994 42.242 22.187 1.00 0.00 C ATOM 59 NH1 ARG A 4 27.791 42.177 21.161 1.00 0.00 N ATOM 60 NH2 ARG A 4 25.987 43.056 22.118 1.00 0.00 N ATOM 0 H ARG A 4 27.479 39.771 27.961 1.00 0.00 H new ATOM 0 HA ARG A 4 26.524 37.480 26.407 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.167 38.368 24.340 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.244 39.644 25.108 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.273 40.886 25.642 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.287 39.558 25.113 1.00 0.00 H new ATOM 0 HD2 ARG A 4 29.251 41.168 23.321 1.00 0.00 H new ATOM 0 HD3 ARG A 4 28.297 39.795 22.794 1.00 0.00 H new ATOM 0 HE ARG A 4 26.467 41.564 23.999 1.00 0.00 H new ATOM 0 HH11 ARG A 4 28.590 41.544 21.176 1.00 0.00 H new ATOM 0 HH12 ARG A 4 27.616 42.759 20.342 1.00 0.00 H new ATOM 0 HH21 ARG A 4 25.337 43.130 22.900 1.00 0.00 H new ATOM 0 HH22 ARG A 4 25.845 43.622 21.281 1.00 0.00 H new ATOM 74 N LEU A 5 28.872 36.625 25.992 1.00 0.00 N ATOM 75 CA LEU A 5 30.017 35.737 26.160 1.00 0.00 C ATOM 76 C LEU A 5 30.670 35.448 24.803 1.00 0.00 C ATOM 77 O LEU A 5 29.989 35.045 23.857 1.00 0.00 O ATOM 78 CB LEU A 5 29.488 34.471 26.848 1.00 0.00 C ATOM 79 CG LEU A 5 30.475 33.370 27.265 1.00 0.00 C ATOM 80 CD1 LEU A 5 30.946 32.480 26.122 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.692 33.899 28.021 1.00 0.00 C ATOM 0 H LEU A 5 28.289 36.360 25.198 1.00 0.00 H new ATOM 0 HA LEU A 5 30.798 36.186 26.773 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.951 34.785 27.743 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.756 34.018 26.180 1.00 0.00 H new ATOM 0 HG LEU A 5 29.880 32.756 27.941 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.639 31.731 26.506 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.088 31.982 25.671 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.449 33.089 25.370 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.346 33.068 28.284 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.235 34.602 27.390 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.364 34.405 28.929 1.00 0.00 H new ATOM 93 N PHE A 6 31.989 35.626 24.738 1.00 0.00 N ATOM 94 CA PHE A 6 32.836 35.338 23.578 1.00 0.00 C ATOM 95 C PHE A 6 33.771 34.142 23.832 1.00 0.00 C ATOM 96 O PHE A 6 34.320 34.001 24.927 1.00 0.00 O ATOM 97 CB PHE A 6 33.638 36.602 23.230 1.00 0.00 C ATOM 98 CG PHE A 6 34.709 36.408 22.171 1.00 0.00 C ATOM 99 CD1 PHE A 6 34.410 35.753 20.959 1.00 0.00 C ATOM 100 CD2 PHE A 6 36.023 36.851 22.413 1.00 0.00 C ATOM 101 CE1 PHE A 6 35.418 35.523 20.008 1.00 0.00 C ATOM 102 CE2 PHE A 6 37.026 36.631 21.453 1.00 0.00 C ATOM 103 CZ PHE A 6 36.728 35.958 20.257 1.00 0.00 C ATOM 0 H PHE A 6 32.522 35.991 25.528 1.00 0.00 H new ATOM 0 HA PHE A 6 32.201 35.059 22.737 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.946 37.372 22.889 1.00 0.00 H new ATOM 0 HB3 PHE A 6 34.109 36.977 24.138 1.00 0.00 H new ATOM 0 HD1 PHE A 6 33.400 35.426 20.760 1.00 0.00 H new ATOM 0 HD2 PHE A 6 36.260 37.360 23.336 1.00 0.00 H new ATOM 0 HE1 PHE A 6 35.184 35.012 19.086 1.00 0.00 H new ATOM 0 HE2 PHE A 6 38.031 36.981 21.636 1.00 0.00 H new ATOM 0 HZ PHE A 6 37.506 35.776 19.530 1.00 0.00 H new ATOM 113 N ILE A 7 33.973 33.309 22.802 1.00 0.00 N ATOM 114 CA ILE A 7 34.900 32.169 22.790 1.00 0.00 C ATOM 115 C ILE A 7 36.189 32.537 22.033 1.00 0.00 C ATOM 116 O ILE A 7 36.263 32.435 20.809 1.00 0.00 O ATOM 117 CB ILE A 7 34.211 30.924 22.180 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.827 30.603 22.781 1.00 0.00 C ATOM 119 CG2 ILE A 7 35.128 29.692 22.296 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.820 30.366 24.290 1.00 0.00 C ATOM 0 H ILE A 7 33.475 33.415 21.918 1.00 0.00 H new ATOM 0 HA ILE A 7 35.179 31.923 23.815 1.00 0.00 H new ATOM 0 HB ILE A 7 34.036 31.172 21.133 1.00 0.00 H new ATOM 0 HG12 ILE A 7 32.149 31.426 22.554 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.429 29.717 22.287 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.629 28.825 21.863 1.00 0.00 H new ATOM 0 HG22 ILE A 7 36.059 29.880 21.761 1.00 0.00 H new ATOM 0 HG23 ILE A 7 35.346 29.498 23.346 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.804 30.148 24.619 1.00 0.00 H new ATOM 0 HD12 ILE A 7 33.468 29.523 24.529 1.00 0.00 H new ATOM 0 HD13 ILE A 7 33.183 31.258 24.800 1.00 0.00 H new ATOM 132 N GLY A 8 37.220 32.933 22.776 1.00 0.00 N ATOM 133 CA GLY A 8 38.543 33.306 22.264 1.00 0.00 C ATOM 134 C GLY A 8 39.525 32.143 22.068 1.00 0.00 C ATOM 135 O GLY A 8 40.631 32.356 21.578 1.00 0.00 O ATOM 0 H GLY A 8 37.158 33.007 23.791 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.414 33.815 21.309 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.990 34.025 22.951 1.00 0.00 H new ATOM 139 N ASN A 9 39.174 30.901 22.429 1.00 0.00 N ATOM 140 CA ASN A 9 40.037 29.723 22.218 1.00 0.00 C ATOM 141 C ASN A 9 39.999 29.179 20.778 1.00 0.00 C ATOM 142 O ASN A 9 39.841 27.976 20.569 1.00 0.00 O ATOM 143 CB ASN A 9 39.804 28.654 23.299 1.00 0.00 C ATOM 144 CG ASN A 9 38.363 28.225 23.473 1.00 0.00 C ATOM 145 OD1 ASN A 9 37.730 28.597 24.445 1.00 0.00 O ATOM 146 ND2 ASN A 9 37.824 27.447 22.565 1.00 0.00 N ATOM 0 H ASN A 9 38.284 30.681 22.876 1.00 0.00 H new ATOM 0 HA ASN A 9 41.066 30.061 22.339 1.00 0.00 H new ATOM 0 HB2 ASN A 9 40.402 27.776 23.055 1.00 0.00 H new ATOM 0 HB3 ASN A 9 40.171 29.036 24.252 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.856 27.141 22.665 1.00 0.00 H new ATOM 0 HD22 ASN A 9 38.373 27.148 21.759 1.00 0.00 H new ATOM 153 N LEU A 10 40.119 30.070 19.787 1.00 0.00 N ATOM 154 CA LEU A 10 40.143 29.775 18.347 1.00 0.00 C ATOM 155 C LEU A 10 39.119 28.690 17.918 1.00 0.00 C ATOM 156 O LEU A 10 39.499 27.654 17.364 1.00 0.00 O ATOM 157 CB LEU A 10 41.598 29.494 17.901 1.00 0.00 C ATOM 158 CG LEU A 10 42.537 30.711 17.752 1.00 0.00 C ATOM 159 CD1 LEU A 10 42.084 31.668 16.648 1.00 0.00 C ATOM 160 CD2 LEU A 10 42.740 31.515 19.035 1.00 0.00 C ATOM 0 H LEU A 10 40.207 31.068 19.976 1.00 0.00 H new ATOM 0 HA LEU A 10 39.800 30.658 17.808 1.00 0.00 H new ATOM 0 HB2 LEU A 10 42.045 28.808 18.620 1.00 0.00 H new ATOM 0 HB3 LEU A 10 41.564 28.974 16.943 1.00 0.00 H new ATOM 0 HG LEU A 10 43.493 30.260 17.486 1.00 0.00 H new ATOM 0 HD11 LEU A 10 42.778 32.506 16.585 1.00 0.00 H new ATOM 0 HD12 LEU A 10 42.065 31.140 15.694 1.00 0.00 H new ATOM 0 HD13 LEU A 10 41.086 32.041 16.877 1.00 0.00 H new ATOM 0 HD21 LEU A 10 43.413 32.350 18.839 1.00 0.00 H new ATOM 0 HD22 LEU A 10 41.779 31.897 19.381 1.00 0.00 H new ATOM 0 HD23 LEU A 10 43.173 30.873 19.802 1.00 0.00 H new ATOM 172 N PRO A 11 37.807 28.907 18.151 1.00 0.00 N ATOM 173 CA PRO A 11 36.726 27.956 17.845 1.00 0.00 C ATOM 174 C PRO A 11 36.428 27.786 16.338 1.00 0.00 C ATOM 175 O PRO A 11 35.327 27.395 15.961 1.00 0.00 O ATOM 176 CB PRO A 11 35.520 28.479 18.636 1.00 0.00 C ATOM 177 CG PRO A 11 35.742 29.984 18.587 1.00 0.00 C ATOM 178 CD PRO A 11 37.245 30.097 18.776 1.00 0.00 C ATOM 0 HA PRO A 11 37.008 26.944 18.135 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.574 28.190 18.177 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.507 28.101 19.658 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.418 30.412 17.638 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.193 30.502 19.374 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.632 31.004 18.311 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.505 30.145 19.833 1.00 0.00 H new ATOM 186 N LEU A 12 37.404 28.031 15.456 1.00 0.00 N ATOM 187 CA LEU A 12 37.255 27.997 13.996 1.00 0.00 C ATOM 188 C LEU A 12 36.907 26.594 13.451 1.00 0.00 C ATOM 189 O LEU A 12 36.556 26.476 12.275 1.00 0.00 O ATOM 190 CB LEU A 12 38.564 28.486 13.327 1.00 0.00 C ATOM 191 CG LEU A 12 38.970 29.971 13.432 1.00 0.00 C ATOM 192 CD1 LEU A 12 37.909 30.937 12.910 1.00 0.00 C ATOM 193 CD2 LEU A 12 39.343 30.405 14.847 1.00 0.00 C ATOM 0 H LEU A 12 38.352 28.267 15.749 1.00 0.00 H new ATOM 0 HA LEU A 12 36.421 28.655 13.753 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.381 27.895 13.741 1.00 0.00 H new ATOM 0 HB3 LEU A 12 38.499 28.241 12.267 1.00 0.00 H new ATOM 0 HG LEU A 12 39.851 30.027 12.793 1.00 0.00 H new ATOM 0 HD11 LEU A 12 38.266 31.961 13.017 1.00 0.00 H new ATOM 0 HD12 LEU A 12 37.713 30.729 11.858 1.00 0.00 H new ATOM 0 HD13 LEU A 12 36.990 30.812 13.482 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.617 31.460 14.844 1.00 0.00 H new ATOM 0 HD22 LEU A 12 38.492 30.253 15.510 1.00 0.00 H new ATOM 0 HD23 LEU A 12 40.187 29.812 15.199 1.00 0.00 H new ATOM 205 N LYS A 13 37.032 25.531 14.258 1.00 0.00 N ATOM 206 CA LYS A 13 36.991 24.120 13.838 1.00 0.00 C ATOM 207 C LYS A 13 36.000 23.298 14.662 1.00 0.00 C ATOM 208 O LYS A 13 36.009 23.375 15.890 1.00 0.00 O ATOM 209 CB LYS A 13 38.395 23.497 13.974 1.00 0.00 C ATOM 210 CG LYS A 13 39.514 24.212 13.200 1.00 0.00 C ATOM 211 CD LYS A 13 39.302 24.192 11.684 1.00 0.00 C ATOM 212 CE LYS A 13 40.460 24.932 11.017 1.00 0.00 C ATOM 213 NZ LYS A 13 40.328 24.909 9.547 1.00 0.00 N ATOM 0 H LYS A 13 37.170 25.633 15.263 1.00 0.00 H new ATOM 0 HA LYS A 13 36.661 24.101 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 13 38.664 23.476 15.030 1.00 0.00 H new ATOM 0 HB3 LYS A 13 38.348 22.462 13.637 1.00 0.00 H new ATOM 0 HG2 LYS A 13 39.578 25.246 13.538 1.00 0.00 H new ATOM 0 HG3 LYS A 13 40.468 23.740 13.434 1.00 0.00 H new ATOM 0 HD2 LYS A 13 39.252 23.165 11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 13 38.354 24.666 11.429 1.00 0.00 H new ATOM 0 HE2 LYS A 13 40.486 25.964 11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 13 41.405 24.473 11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 41.127 25.418 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 40.327 23.924 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 39.437 25.369 9.271 1.00 0.00 H new ATOM 227 N ASN A 14 35.229 22.437 13.993 1.00 0.00 N ATOM 228 CA ASN A 14 34.375 21.405 14.606 1.00 0.00 C ATOM 229 C ASN A 14 33.443 21.937 15.716 1.00 0.00 C ATOM 230 O ASN A 14 33.389 21.376 16.815 1.00 0.00 O ATOM 231 CB ASN A 14 35.239 20.217 15.079 1.00 0.00 C ATOM 232 CG ASN A 14 35.897 19.416 13.973 1.00 0.00 C ATOM 233 OD1 ASN A 14 36.131 19.871 12.861 1.00 0.00 O ATOM 234 ND2 ASN A 14 36.262 18.199 14.272 1.00 0.00 N ATOM 0 H ASN A 14 35.177 22.436 12.974 1.00 0.00 H new ATOM 0 HA ASN A 14 33.693 21.055 13.831 1.00 0.00 H new ATOM 0 HB2 ASN A 14 36.016 20.595 15.743 1.00 0.00 H new ATOM 0 HB3 ASN A 14 34.614 19.546 15.669 1.00 0.00 H new ATOM 0 HD21 ASN A 14 36.743 17.626 13.579 1.00 0.00 H new ATOM 0 HD22 ASN A 14 36.066 17.821 15.199 1.00 0.00 H new ATOM 241 N VAL A 15 32.722 23.030 15.460 1.00 0.00 N ATOM 242 CA VAL A 15 31.829 23.670 16.440 1.00 0.00 C ATOM 243 C VAL A 15 30.354 23.560 16.068 1.00 0.00 C ATOM 244 O VAL A 15 29.962 23.576 14.902 1.00 0.00 O ATOM 245 CB VAL A 15 32.219 25.123 16.754 1.00 0.00 C ATOM 246 CG1 VAL A 15 33.496 25.174 17.593 1.00 0.00 C ATOM 247 CG2 VAL A 15 32.368 26.000 15.506 1.00 0.00 C ATOM 0 H VAL A 15 32.739 23.505 14.557 1.00 0.00 H new ATOM 0 HA VAL A 15 31.968 23.099 17.358 1.00 0.00 H new ATOM 0 HB VAL A 15 31.390 25.538 17.328 1.00 0.00 H new ATOM 0 HG11 VAL A 15 33.752 26.212 17.803 1.00 0.00 H new ATOM 0 HG12 VAL A 15 33.336 24.643 18.531 1.00 0.00 H new ATOM 0 HG13 VAL A 15 34.311 24.703 17.044 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.644 27.012 15.803 1.00 0.00 H new ATOM 0 HG22 VAL A 15 33.144 25.587 14.861 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.422 26.026 14.965 1.00 0.00 H new ATOM 257 N SER A 16 29.529 23.446 17.102 1.00 0.00 N ATOM 258 CA SER A 16 28.085 23.227 17.071 1.00 0.00 C ATOM 259 C SER A 16 27.430 23.940 18.255 1.00 0.00 C ATOM 260 O SER A 16 28.118 24.303 19.212 1.00 0.00 O ATOM 261 CB SER A 16 27.818 21.720 17.164 1.00 0.00 C ATOM 262 OG SER A 16 28.199 21.211 18.437 1.00 0.00 O ATOM 0 H SER A 16 29.878 23.509 18.058 1.00 0.00 H new ATOM 0 HA SER A 16 27.668 23.624 16.145 1.00 0.00 H new ATOM 0 HB2 SER A 16 26.760 21.524 16.992 1.00 0.00 H new ATOM 0 HB3 SER A 16 28.370 21.200 16.381 1.00 0.00 H new ATOM 0 HG SER A 16 29.108 21.509 18.650 1.00 0.00 H new ATOM 268 N LYS A 17 26.099 24.088 18.260 1.00 0.00 N ATOM 269 CA LYS A 17 25.348 24.606 19.424 1.00 0.00 C ATOM 270 C LYS A 17 25.705 23.886 20.727 1.00 0.00 C ATOM 271 O LYS A 17 25.734 24.505 21.784 1.00 0.00 O ATOM 272 CB LYS A 17 23.841 24.459 19.154 1.00 0.00 C ATOM 273 CG LYS A 17 23.304 25.531 18.197 1.00 0.00 C ATOM 274 CD LYS A 17 23.089 26.875 18.907 1.00 0.00 C ATOM 275 CE LYS A 17 22.546 27.917 17.932 1.00 0.00 C ATOM 276 NZ LYS A 17 21.133 27.676 17.567 1.00 0.00 N ATOM 0 H LYS A 17 25.508 23.854 17.462 1.00 0.00 H new ATOM 0 HA LYS A 17 25.621 25.654 19.551 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.646 23.472 18.734 1.00 0.00 H new ATOM 0 HB3 LYS A 17 23.300 24.516 20.098 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.003 25.664 17.372 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.362 25.193 17.765 1.00 0.00 H new ATOM 0 HD2 LYS A 17 22.393 26.747 19.736 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.031 27.223 19.332 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.638 28.908 18.377 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.156 27.916 17.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 20.800 28.440 16.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.053 26.765 17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 20.551 27.654 18.429 1.00 0.00 H new ATOM 290 N GLU A 18 26.042 22.603 20.639 1.00 0.00 N ATOM 291 CA GLU A 18 26.436 21.770 21.777 1.00 0.00 C ATOM 292 C GLU A 18 27.797 22.155 22.374 1.00 0.00 C ATOM 293 O GLU A 18 28.056 21.833 23.526 1.00 0.00 O ATOM 294 CB GLU A 18 26.449 20.296 21.359 1.00 0.00 C ATOM 295 CG GLU A 18 25.169 19.881 20.623 1.00 0.00 C ATOM 296 CD GLU A 18 25.103 18.371 20.438 1.00 0.00 C ATOM 297 OE1 GLU A 18 25.707 17.864 19.462 1.00 0.00 O ATOM 298 OE2 GLU A 18 24.448 17.700 21.271 1.00 0.00 O ATOM 0 H GLU A 18 26.050 22.098 19.753 1.00 0.00 H new ATOM 0 HA GLU A 18 25.696 21.938 22.559 1.00 0.00 H new ATOM 0 HB2 GLU A 18 27.310 20.112 20.716 1.00 0.00 H new ATOM 0 HB3 GLU A 18 26.573 19.672 22.244 1.00 0.00 H new ATOM 0 HG2 GLU A 18 24.298 20.219 21.184 1.00 0.00 H new ATOM 0 HG3 GLU A 18 25.131 20.371 19.650 1.00 0.00 H new ATOM 305 N ASP A 19 28.668 22.852 21.638 1.00 0.00 N ATOM 306 CA ASP A 19 29.925 23.392 22.172 1.00 0.00 C ATOM 307 C ASP A 19 29.660 24.606 23.067 1.00 0.00 C ATOM 308 O ASP A 19 30.125 24.655 24.201 1.00 0.00 O ATOM 309 CB ASP A 19 30.880 23.770 21.034 1.00 0.00 C ATOM 310 CG ASP A 19 31.341 22.543 20.259 1.00 0.00 C ATOM 311 OD1 ASP A 19 30.636 22.119 19.311 1.00 0.00 O ATOM 312 OD2 ASP A 19 32.422 22.006 20.595 1.00 0.00 O ATOM 0 H ASP A 19 28.521 23.059 20.650 1.00 0.00 H new ATOM 0 HA ASP A 19 30.395 22.615 22.775 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.383 24.464 20.356 1.00 0.00 H new ATOM 0 HB3 ASP A 19 31.747 24.290 21.443 1.00 0.00 H new ATOM 317 N LEU A 20 28.851 25.562 22.607 1.00 0.00 N ATOM 318 CA LEU A 20 28.483 26.727 23.420 1.00 0.00 C ATOM 319 C LEU A 20 27.599 26.308 24.610 1.00 0.00 C ATOM 320 O LEU A 20 27.787 26.823 25.710 1.00 0.00 O ATOM 321 CB LEU A 20 27.850 27.807 22.512 1.00 0.00 C ATOM 322 CG LEU A 20 28.831 28.810 21.868 1.00 0.00 C ATOM 323 CD1 LEU A 20 29.275 29.878 22.866 1.00 0.00 C ATOM 324 CD2 LEU A 20 30.083 28.153 21.280 1.00 0.00 C ATOM 0 H LEU A 20 28.437 25.554 21.675 1.00 0.00 H new ATOM 0 HA LEU A 20 29.371 27.173 23.867 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.299 27.306 21.716 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.123 28.367 23.100 1.00 0.00 H new ATOM 0 HG LEU A 20 28.268 29.262 21.051 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.965 30.567 22.379 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.404 30.428 23.222 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.774 29.402 23.710 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.725 28.919 20.845 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.624 27.630 22.069 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.792 27.442 20.507 1.00 0.00 H new ATOM 336 N PHE A 21 26.718 25.315 24.429 1.00 0.00 N ATOM 337 CA PHE A 21 25.853 24.786 25.488 1.00 0.00 C ATOM 338 C PHE A 21 26.621 23.964 26.536 1.00 0.00 C ATOM 339 O PHE A 21 26.340 24.102 27.730 1.00 0.00 O ATOM 340 CB PHE A 21 24.727 23.959 24.849 1.00 0.00 C ATOM 341 CG PHE A 21 23.579 23.609 25.776 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.653 22.478 26.612 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.414 24.400 25.784 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.565 22.130 27.433 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.327 24.049 26.603 1.00 0.00 C ATOM 346 CZ PHE A 21 21.396 22.908 27.421 1.00 0.00 C ATOM 0 H PHE A 21 26.586 24.851 23.530 1.00 0.00 H new ATOM 0 HA PHE A 21 25.430 25.632 26.030 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.330 24.512 23.997 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.153 23.035 24.459 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.549 21.875 26.623 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.356 25.279 25.159 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.629 21.263 28.074 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.435 24.658 26.604 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.554 22.631 28.038 1.00 0.00 H new ATOM 356 N ARG A 22 27.600 23.129 26.140 1.00 0.00 N ATOM 357 CA ARG A 22 28.466 22.407 27.098 1.00 0.00 C ATOM 358 C ARG A 22 29.481 23.323 27.773 1.00 0.00 C ATOM 359 O ARG A 22 29.894 23.029 28.893 1.00 0.00 O ATOM 360 CB ARG A 22 29.125 21.169 26.463 1.00 0.00 C ATOM 361 CG ARG A 22 30.362 21.459 25.593 1.00 0.00 C ATOM 362 CD ARG A 22 31.701 21.385 26.335 1.00 0.00 C ATOM 363 NE ARG A 22 32.097 19.992 26.609 1.00 0.00 N ATOM 364 CZ ARG A 22 33.185 19.613 27.249 1.00 0.00 C ATOM 365 NH1 ARG A 22 33.976 20.459 27.835 1.00 0.00 N ATOM 366 NH2 ARG A 22 33.512 18.360 27.292 1.00 0.00 N ATOM 0 H ARG A 22 27.813 22.936 25.161 1.00 0.00 H new ATOM 0 HA ARG A 22 27.813 22.042 27.891 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.413 20.482 27.259 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.383 20.655 25.852 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.381 20.750 24.766 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.258 22.453 25.158 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.474 21.873 25.741 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.627 21.934 27.274 1.00 0.00 H new ATOM 0 HE ARG A 22 31.474 19.257 26.274 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.764 21.457 27.810 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.809 20.126 28.320 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.927 17.664 26.830 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.355 18.070 27.788 1.00 0.00 H new ATOM 380 N ILE A 23 29.856 24.434 27.135 1.00 0.00 N ATOM 381 CA ILE A 23 30.580 25.521 27.795 1.00 0.00 C ATOM 382 C ILE A 23 29.655 26.109 28.863 1.00 0.00 C ATOM 383 O ILE A 23 29.842 25.762 30.030 1.00 0.00 O ATOM 384 CB ILE A 23 31.179 26.518 26.773 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.370 25.834 26.062 1.00 0.00 C ATOM 386 CG2 ILE A 23 31.656 27.829 27.424 1.00 0.00 C ATOM 387 CD1 ILE A 23 32.839 26.565 24.800 1.00 0.00 C ATOM 0 H ILE A 23 29.666 24.605 26.147 1.00 0.00 H new ATOM 0 HA ILE A 23 31.471 25.164 28.312 1.00 0.00 H new ATOM 0 HB ILE A 23 30.393 26.784 26.066 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.204 25.761 26.760 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.086 24.816 25.797 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.066 28.487 26.658 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.814 28.320 27.912 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.426 27.609 28.163 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.676 26.026 24.357 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.020 26.615 24.083 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.155 27.575 25.061 1.00 0.00 H new ATOM 399 N PHE A 24 28.623 26.891 28.517 1.00 0.00 N ATOM 400 CA PHE A 24 27.681 27.481 29.486 1.00 0.00 C ATOM 401 C PHE A 24 26.219 27.108 29.175 1.00 0.00 C ATOM 402 O PHE A 24 25.698 27.448 28.116 1.00 0.00 O ATOM 403 CB PHE A 24 27.787 29.024 29.526 1.00 0.00 C ATOM 404 CG PHE A 24 29.068 29.720 29.966 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.222 29.030 30.381 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.092 31.128 29.964 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.408 29.716 30.668 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.264 31.819 30.319 1.00 0.00 C ATOM 409 CZ PHE A 24 31.433 31.112 30.624 1.00 0.00 C ATOM 0 H PHE A 24 28.414 27.136 27.549 1.00 0.00 H new ATOM 0 HA PHE A 24 27.962 27.068 30.455 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.559 29.384 28.523 1.00 0.00 H new ATOM 0 HB3 PHE A 24 26.992 29.380 30.181 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.192 27.955 30.480 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.206 31.680 29.688 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.302 29.167 30.923 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.262 32.898 30.356 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.351 31.644 30.825 1.00 0.00 H new ATOM 419 N SER A 25 25.508 26.537 30.154 1.00 0.00 N ATOM 420 CA SER A 25 24.033 26.488 30.153 1.00 0.00 C ATOM 421 C SER A 25 23.391 26.496 31.557 1.00 0.00 C ATOM 422 O SER A 25 22.593 27.396 31.832 1.00 0.00 O ATOM 423 CB SER A 25 23.547 25.313 29.293 1.00 0.00 C ATOM 424 OG SER A 25 22.135 25.198 29.331 1.00 0.00 O ATOM 0 H SER A 25 25.933 26.096 30.969 1.00 0.00 H new ATOM 0 HA SER A 25 23.691 27.420 29.704 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.875 25.453 28.263 1.00 0.00 H new ATOM 0 HB3 SER A 25 23.999 24.387 29.649 1.00 0.00 H new ATOM 0 HG SER A 25 21.827 24.691 28.551 1.00 0.00 H new ATOM 430 N PRO A 26 23.731 25.598 32.506 1.00 0.00 N ATOM 431 CA PRO A 26 23.019 25.470 33.784 1.00 0.00 C ATOM 432 C PRO A 26 23.474 26.478 34.863 1.00 0.00 C ATOM 433 O PRO A 26 23.335 26.218 36.057 1.00 0.00 O ATOM 434 CB PRO A 26 23.220 24.004 34.184 1.00 0.00 C ATOM 435 CG PRO A 26 24.635 23.726 33.691 1.00 0.00 C ATOM 436 CD PRO A 26 24.697 24.514 32.388 1.00 0.00 C ATOM 0 HA PRO A 26 21.963 25.721 33.681 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.128 23.860 35.261 1.00 0.00 H new ATOM 0 HB3 PRO A 26 22.488 23.349 33.711 1.00 0.00 H new ATOM 0 HG2 PRO A 26 25.386 24.064 34.405 1.00 0.00 H new ATOM 0 HG3 PRO A 26 24.806 22.662 33.529 1.00 0.00 H new ATOM 0 HD2 PRO A 26 25.700 24.906 32.221 1.00 0.00 H new ATOM 0 HD3 PRO A 26 24.459 23.875 31.538 1.00 0.00 H new ATOM 444 N TYR A 27 24.074 27.612 34.484 1.00 0.00 N ATOM 445 CA TYR A 27 24.678 28.564 35.431 1.00 0.00 C ATOM 446 C TYR A 27 23.730 29.662 35.935 1.00 0.00 C ATOM 447 O TYR A 27 23.887 30.096 37.073 1.00 0.00 O ATOM 448 CB TYR A 27 25.932 29.191 34.807 1.00 0.00 C ATOM 449 CG TYR A 27 27.124 28.259 34.736 1.00 0.00 C ATOM 450 CD1 TYR A 27 27.919 28.065 35.883 1.00 0.00 C ATOM 451 CD2 TYR A 27 27.475 27.640 33.521 1.00 0.00 C ATOM 452 CE1 TYR A 27 29.075 27.266 35.816 1.00 0.00 C ATOM 453 CE2 TYR A 27 28.630 26.836 33.452 1.00 0.00 C ATOM 454 CZ TYR A 27 29.435 26.657 34.598 1.00 0.00 C ATOM 455 OH TYR A 27 30.566 25.907 34.527 1.00 0.00 O ATOM 0 H TYR A 27 24.156 27.899 33.509 1.00 0.00 H new ATOM 0 HA TYR A 27 24.936 27.980 36.315 1.00 0.00 H new ATOM 0 HB2 TYR A 27 25.691 29.532 33.800 1.00 0.00 H new ATOM 0 HB3 TYR A 27 26.209 30.073 35.384 1.00 0.00 H new ATOM 0 HD1 TYR A 27 27.640 28.531 36.816 1.00 0.00 H new ATOM 0 HD2 TYR A 27 26.860 27.781 32.644 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.684 27.120 36.696 1.00 0.00 H new ATOM 0 HE2 TYR A 27 28.900 26.357 32.522 1.00 0.00 H new ATOM 0 HH TYR A 27 30.670 25.557 33.618 1.00 0.00 H new ATOM 465 N GLY A 28 22.779 30.127 35.117 1.00 0.00 N ATOM 466 CA GLY A 28 21.969 31.316 35.415 1.00 0.00 C ATOM 467 C GLY A 28 20.700 31.434 34.575 1.00 0.00 C ATOM 468 O GLY A 28 20.236 30.450 33.993 1.00 0.00 O ATOM 0 H GLY A 28 22.548 29.688 34.226 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.693 31.299 36.469 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.579 32.206 35.259 1.00 0.00 H new ATOM 472 N HIS A 29 20.134 32.643 34.506 1.00 0.00 N ATOM 473 CA HIS A 29 18.798 32.870 33.939 1.00 0.00 C ATOM 474 C HIS A 29 18.699 32.690 32.418 1.00 0.00 C ATOM 475 O HIS A 29 17.621 32.323 31.944 1.00 0.00 O ATOM 476 CB HIS A 29 18.259 34.237 34.380 1.00 0.00 C ATOM 477 CG HIS A 29 16.803 34.398 34.026 1.00 0.00 C ATOM 478 ND1 HIS A 29 15.760 33.698 34.634 1.00 0.00 N ATOM 479 CD2 HIS A 29 16.292 35.158 33.015 1.00 0.00 C ATOM 480 CE1 HIS A 29 14.644 34.062 33.983 1.00 0.00 C ATOM 481 NE2 HIS A 29 14.937 34.928 33.002 1.00 0.00 N ATOM 0 H HIS A 29 20.588 33.493 34.841 1.00 0.00 H new ATOM 0 HA HIS A 29 18.167 32.079 34.345 1.00 0.00 H new ATOM 0 HB2 HIS A 29 18.387 34.350 35.457 1.00 0.00 H new ATOM 0 HB3 HIS A 29 18.839 35.028 33.905 1.00 0.00 H new ATOM 0 HD2 HIS A 29 16.843 35.811 32.355 1.00 0.00 H new ATOM 0 HE1 HIS A 29 13.651 33.708 34.216 1.00 0.00 H new ATOM 0 HE2 HIS A 29 14.268 35.345 32.356 1.00 0.00 H new ATOM 489 N ILE A 30 19.804 32.845 31.669 1.00 0.00 N ATOM 490 CA ILE A 30 19.884 32.579 30.213 1.00 0.00 C ATOM 491 C ILE A 30 19.038 33.562 29.364 1.00 0.00 C ATOM 492 O ILE A 30 18.177 34.266 29.881 1.00 0.00 O ATOM 493 CB ILE A 30 19.651 31.051 29.958 1.00 0.00 C ATOM 494 CG1 ILE A 30 20.969 30.254 29.869 1.00 0.00 C ATOM 495 CG2 ILE A 30 18.820 30.705 28.711 1.00 0.00 C ATOM 496 CD1 ILE A 30 21.937 30.409 31.049 1.00 0.00 C ATOM 0 H ILE A 30 20.689 33.166 32.063 1.00 0.00 H new ATOM 0 HA ILE A 30 20.888 32.796 29.848 1.00 0.00 H new ATOM 0 HB ILE A 30 19.075 30.760 30.836 1.00 0.00 H new ATOM 0 HG12 ILE A 30 20.724 29.197 29.764 1.00 0.00 H new ATOM 0 HG13 ILE A 30 21.489 30.552 28.958 1.00 0.00 H new ATOM 0 HG21 ILE A 30 18.720 29.623 28.629 1.00 0.00 H new ATOM 0 HG22 ILE A 30 17.831 31.156 28.796 1.00 0.00 H new ATOM 0 HG23 ILE A 30 19.319 31.091 27.822 1.00 0.00 H new ATOM 0 HD11 ILE A 30 22.825 29.803 30.873 1.00 0.00 H new ATOM 0 HD12 ILE A 30 22.226 31.455 31.148 1.00 0.00 H new ATOM 0 HD13 ILE A 30 21.449 30.079 31.966 1.00 0.00 H new ATOM 508 N MET A 31 19.317 33.673 28.057 1.00 0.00 N ATOM 509 CA MET A 31 18.382 34.241 27.062 1.00 0.00 C ATOM 510 C MET A 31 18.550 33.559 25.696 1.00 0.00 C ATOM 511 O MET A 31 17.597 32.977 25.187 1.00 0.00 O ATOM 512 CB MET A 31 18.513 35.767 26.856 1.00 0.00 C ATOM 513 CG MET A 31 18.411 36.646 28.102 1.00 0.00 C ATOM 514 SD MET A 31 18.575 38.425 27.793 1.00 0.00 S ATOM 515 CE MET A 31 20.299 38.537 27.219 1.00 0.00 C ATOM 0 H MET A 31 20.203 33.370 27.653 1.00 0.00 H new ATOM 0 HA MET A 31 17.394 34.050 27.480 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.474 35.963 26.380 1.00 0.00 H new ATOM 0 HB3 MET A 31 17.740 36.082 26.155 1.00 0.00 H new ATOM 0 HG2 MET A 31 17.450 36.462 28.582 1.00 0.00 H new ATOM 0 HG3 MET A 31 19.183 36.342 28.808 1.00 0.00 H new ATOM 0 HE1 MET A 31 20.750 39.455 27.597 1.00 0.00 H new ATOM 0 HE2 MET A 31 20.861 37.678 27.586 1.00 0.00 H new ATOM 0 HE3 MET A 31 20.320 38.545 26.129 1.00 0.00 H new ATOM 525 N GLN A 32 19.748 33.621 25.104 1.00 0.00 N ATOM 526 CA GLN A 32 20.001 33.226 23.715 1.00 0.00 C ATOM 527 C GLN A 32 21.395 32.592 23.542 1.00 0.00 C ATOM 528 O GLN A 32 22.383 33.063 24.109 1.00 0.00 O ATOM 529 CB GLN A 32 19.819 34.472 22.821 1.00 0.00 C ATOM 530 CG GLN A 32 19.476 34.166 21.355 1.00 0.00 C ATOM 531 CD GLN A 32 20.630 33.632 20.511 1.00 0.00 C ATOM 532 OE1 GLN A 32 21.802 33.858 20.768 1.00 0.00 O ATOM 533 NE2 GLN A 32 20.341 32.895 19.466 1.00 0.00 N ATOM 0 H GLN A 32 20.583 33.953 25.586 1.00 0.00 H new ATOM 0 HA GLN A 32 19.289 32.456 23.418 1.00 0.00 H new ATOM 0 HB2 GLN A 32 19.029 35.093 23.243 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.736 35.060 22.850 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.665 33.438 21.334 1.00 0.00 H new ATOM 0 HG3 GLN A 32 19.099 35.077 20.890 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.367 32.696 19.236 1.00 0.00 H new ATOM 0 HE22 GLN A 32 21.090 32.521 18.883 1.00 0.00 H new ATOM 542 N ILE A 33 21.471 31.527 22.742 1.00 0.00 N ATOM 543 CA ILE A 33 22.710 30.857 22.319 1.00 0.00 C ATOM 544 C ILE A 33 22.793 30.822 20.783 1.00 0.00 C ATOM 545 O ILE A 33 21.871 30.345 20.117 1.00 0.00 O ATOM 546 CB ILE A 33 22.827 29.458 22.981 1.00 0.00 C ATOM 547 CG1 ILE A 33 24.031 28.677 22.410 1.00 0.00 C ATOM 548 CG2 ILE A 33 21.530 28.623 22.895 1.00 0.00 C ATOM 549 CD1 ILE A 33 24.314 27.356 23.132 1.00 0.00 C ATOM 0 H ILE A 33 20.638 31.086 22.353 1.00 0.00 H new ATOM 0 HA ILE A 33 23.574 31.425 22.663 1.00 0.00 H new ATOM 0 HB ILE A 33 22.996 29.638 24.043 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.851 28.471 21.355 1.00 0.00 H new ATOM 0 HG13 ILE A 33 24.919 29.307 22.465 1.00 0.00 H new ATOM 0 HG21 ILE A 33 21.686 27.658 23.378 1.00 0.00 H new ATOM 0 HG22 ILE A 33 20.721 29.154 23.397 1.00 0.00 H new ATOM 0 HG23 ILE A 33 21.267 28.467 21.849 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.173 26.867 22.673 1.00 0.00 H new ATOM 0 HD12 ILE A 33 24.528 27.554 24.182 1.00 0.00 H new ATOM 0 HD13 ILE A 33 23.443 26.706 23.055 1.00 0.00 H new ATOM 561 N ASN A 34 23.905 31.293 20.208 1.00 0.00 N ATOM 562 CA ASN A 34 24.170 31.282 18.764 1.00 0.00 C ATOM 563 C ASN A 34 25.542 30.662 18.444 1.00 0.00 C ATOM 564 O ASN A 34 26.457 30.650 19.268 1.00 0.00 O ATOM 565 CB ASN A 34 23.956 32.680 18.151 1.00 0.00 C ATOM 566 CG ASN A 34 24.821 33.778 18.743 1.00 0.00 C ATOM 567 OD1 ASN A 34 25.864 34.127 18.207 1.00 0.00 O ATOM 568 ND2 ASN A 34 24.388 34.373 19.827 1.00 0.00 N ATOM 0 H ASN A 34 24.666 31.704 20.748 1.00 0.00 H new ATOM 0 HA ASN A 34 23.441 30.630 18.282 1.00 0.00 H new ATOM 0 HB2 ASN A 34 24.149 32.624 17.080 1.00 0.00 H new ATOM 0 HB3 ASN A 34 22.909 32.957 18.273 1.00 0.00 H new ATOM 0 HD21 ASN A 34 24.922 35.139 20.236 1.00 0.00 H new ATOM 0 HD22 ASN A 34 23.516 34.070 20.262 1.00 0.00 H new ATOM 575 N ILE A 35 25.684 30.089 17.251 1.00 0.00 N ATOM 576 CA ILE A 35 26.922 29.426 16.829 1.00 0.00 C ATOM 577 C ILE A 35 27.235 29.675 15.356 1.00 0.00 C ATOM 578 O ILE A 35 26.350 29.949 14.536 1.00 0.00 O ATOM 579 CB ILE A 35 26.893 27.935 17.240 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.084 27.609 18.161 1.00 0.00 C ATOM 581 CG2 ILE A 35 26.748 26.959 16.064 1.00 0.00 C ATOM 582 CD1 ILE A 35 29.473 27.565 17.515 1.00 0.00 C ATOM 0 H ILE A 35 24.946 30.070 16.547 1.00 0.00 H new ATOM 0 HA ILE A 35 27.765 29.873 17.356 1.00 0.00 H new ATOM 0 HB ILE A 35 25.977 27.782 17.810 1.00 0.00 H new ATOM 0 HG12 ILE A 35 28.106 28.349 18.961 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.897 26.642 18.627 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.736 25.936 16.440 1.00 0.00 H new ATOM 0 HG22 ILE A 35 25.817 27.162 15.535 1.00 0.00 H new ATOM 0 HG23 ILE A 35 27.588 27.085 15.381 1.00 0.00 H new ATOM 0 HD11 ILE A 35 30.219 27.325 18.273 1.00 0.00 H new ATOM 0 HD12 ILE A 35 29.488 26.802 16.737 1.00 0.00 H new ATOM 0 HD13 ILE A 35 29.701 28.536 17.076 1.00 0.00 H new ATOM 594 N LYS A 36 28.526 29.595 15.035 1.00 0.00 N ATOM 595 CA LYS A 36 29.095 29.952 13.745 1.00 0.00 C ATOM 596 C LYS A 36 30.324 29.102 13.438 1.00 0.00 C ATOM 597 O LYS A 36 31.119 28.836 14.333 1.00 0.00 O ATOM 598 CB LYS A 36 29.469 31.445 13.814 1.00 0.00 C ATOM 599 CG LYS A 36 29.845 32.089 12.480 1.00 0.00 C ATOM 600 CD LYS A 36 28.730 31.892 11.451 1.00 0.00 C ATOM 601 CE LYS A 36 28.953 32.842 10.290 1.00 0.00 C ATOM 602 NZ LYS A 36 27.781 32.847 9.401 1.00 0.00 N ATOM 0 H LYS A 36 29.229 29.266 15.697 1.00 0.00 H new ATOM 0 HA LYS A 36 28.376 29.770 12.946 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.628 31.993 14.239 1.00 0.00 H new ATOM 0 HB3 LYS A 36 30.306 31.561 14.503 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.030 33.154 12.624 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.772 31.652 12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 36 28.723 30.861 11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 36 27.759 32.079 11.909 1.00 0.00 H new ATOM 0 HE2 LYS A 36 29.137 33.849 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 36 29.840 32.543 9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.948 33.502 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 27.623 31.889 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 26.942 33.154 9.934 1.00 0.00 H new ATOM 616 N ASN A 37 30.534 28.806 12.160 1.00 0.00 N ATOM 617 CA ASN A 37 31.734 28.219 11.539 1.00 0.00 C ATOM 618 C ASN A 37 33.073 28.985 11.735 1.00 0.00 C ATOM 619 O ASN A 37 34.049 28.724 11.024 1.00 0.00 O ATOM 620 CB ASN A 37 31.410 28.070 10.042 1.00 0.00 C ATOM 621 CG ASN A 37 31.233 29.391 9.297 1.00 0.00 C ATOM 622 OD1 ASN A 37 31.292 30.492 9.831 1.00 0.00 O ATOM 623 ND2 ASN A 37 30.967 29.302 8.025 1.00 0.00 N ATOM 0 H ASN A 37 29.810 28.983 11.464 1.00 0.00 H new ATOM 0 HA ASN A 37 31.929 27.274 12.045 1.00 0.00 H new ATOM 0 HB2 ASN A 37 32.209 27.503 9.565 1.00 0.00 H new ATOM 0 HB3 ASN A 37 30.497 27.484 9.938 1.00 0.00 H new ATOM 0 HD21 ASN A 37 30.809 30.147 7.477 1.00 0.00 H new ATOM 0 HD22 ASN A 37 30.917 28.387 7.577 1.00 0.00 H new ATOM 630 N ALA A 38 33.117 29.940 12.664 1.00 0.00 N ATOM 631 CA ALA A 38 34.272 30.767 12.980 1.00 0.00 C ATOM 632 C ALA A 38 34.322 31.077 14.485 1.00 0.00 C ATOM 633 O ALA A 38 35.236 30.633 15.169 1.00 0.00 O ATOM 634 CB ALA A 38 34.225 32.040 12.121 1.00 0.00 C ATOM 0 H ALA A 38 32.307 30.165 13.242 1.00 0.00 H new ATOM 0 HA ALA A 38 35.191 30.231 12.745 1.00 0.00 H new ATOM 0 HB1 ALA A 38 35.087 32.666 12.351 1.00 0.00 H new ATOM 0 HB2 ALA A 38 34.246 31.768 11.066 1.00 0.00 H new ATOM 0 HB3 ALA A 38 33.309 32.590 12.336 1.00 0.00 H new ATOM 640 N PHE A 39 33.322 31.802 15.005 1.00 0.00 N ATOM 641 CA PHE A 39 33.252 32.212 16.411 1.00 0.00 C ATOM 642 C PHE A 39 31.812 32.135 16.934 1.00 0.00 C ATOM 643 O PHE A 39 30.949 32.897 16.501 1.00 0.00 O ATOM 644 CB PHE A 39 33.846 33.621 16.572 1.00 0.00 C ATOM 645 CG PHE A 39 35.298 33.736 16.134 1.00 0.00 C ATOM 646 CD1 PHE A 39 36.333 33.314 16.991 1.00 0.00 C ATOM 647 CD2 PHE A 39 35.616 34.200 14.843 1.00 0.00 C ATOM 648 CE1 PHE A 39 37.668 33.323 16.545 1.00 0.00 C ATOM 649 CE2 PHE A 39 36.950 34.213 14.397 1.00 0.00 C ATOM 650 CZ PHE A 39 37.974 33.758 15.244 1.00 0.00 C ATOM 0 H PHE A 39 32.528 32.124 14.451 1.00 0.00 H new ATOM 0 HA PHE A 39 33.844 31.523 17.014 1.00 0.00 H new ATOM 0 HB2 PHE A 39 33.247 34.325 15.994 1.00 0.00 H new ATOM 0 HB3 PHE A 39 33.768 33.919 17.618 1.00 0.00 H new ATOM 0 HD1 PHE A 39 36.102 32.983 17.993 1.00 0.00 H new ATOM 0 HD2 PHE A 39 34.829 34.549 14.190 1.00 0.00 H new ATOM 0 HE1 PHE A 39 38.459 32.995 17.204 1.00 0.00 H new ATOM 0 HE2 PHE A 39 37.186 34.572 13.406 1.00 0.00 H new ATOM 0 HZ PHE A 39 38.996 33.742 14.896 1.00 0.00 H new ATOM 660 N GLY A 40 31.550 31.199 17.851 1.00 0.00 N ATOM 661 CA GLY A 40 30.271 31.093 18.557 1.00 0.00 C ATOM 662 C GLY A 40 30.154 32.093 19.709 1.00 0.00 C ATOM 663 O GLY A 40 31.162 32.473 20.307 1.00 0.00 O ATOM 0 H GLY A 40 32.227 30.487 18.126 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.456 31.258 17.852 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.157 30.081 18.945 1.00 0.00 H new ATOM 667 N PHE A 41 28.924 32.506 20.024 1.00 0.00 N ATOM 668 CA PHE A 41 28.629 33.507 21.054 1.00 0.00 C ATOM 669 C PHE A 41 27.384 33.140 21.864 1.00 0.00 C ATOM 670 O PHE A 41 26.482 32.434 21.414 1.00 0.00 O ATOM 671 CB PHE A 41 28.442 34.899 20.427 1.00 0.00 C ATOM 672 CG PHE A 41 29.710 35.627 20.029 1.00 0.00 C ATOM 673 CD1 PHE A 41 30.352 35.326 18.815 1.00 0.00 C ATOM 674 CD2 PHE A 41 30.228 36.644 20.855 1.00 0.00 C ATOM 675 CE1 PHE A 41 31.502 36.033 18.429 1.00 0.00 C ATOM 676 CE2 PHE A 41 31.369 37.361 20.457 1.00 0.00 C ATOM 677 CZ PHE A 41 32.000 37.066 19.236 1.00 0.00 C ATOM 0 H PHE A 41 28.088 32.147 19.562 1.00 0.00 H new ATOM 0 HA PHE A 41 29.484 33.527 21.730 1.00 0.00 H new ATOM 0 HB2 PHE A 41 27.814 34.795 19.542 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.896 35.523 21.134 1.00 0.00 H new ATOM 0 HD1 PHE A 41 29.959 34.548 18.177 1.00 0.00 H new ATOM 0 HD2 PHE A 41 29.748 36.873 21.795 1.00 0.00 H new ATOM 0 HE1 PHE A 41 32.005 35.780 17.507 1.00 0.00 H new ATOM 0 HE2 PHE A 41 31.763 38.141 21.091 1.00 0.00 H new ATOM 0 HZ PHE A 41 32.864 37.632 18.921 1.00 0.00 H new ATOM 687 N ILE A 42 27.319 33.672 23.079 1.00 0.00 N ATOM 688 CA ILE A 42 26.170 33.530 23.972 1.00 0.00 C ATOM 689 C ILE A 42 25.714 34.916 24.430 1.00 0.00 C ATOM 690 O ILE A 42 26.541 35.791 24.677 1.00 0.00 O ATOM 691 CB ILE A 42 26.541 32.531 25.102 1.00 0.00 C ATOM 692 CG1 ILE A 42 25.968 31.142 24.748 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.097 32.990 26.497 1.00 0.00 C ATOM 694 CD1 ILE A 42 26.561 29.993 25.574 1.00 0.00 C ATOM 0 H ILE A 42 28.076 34.225 23.481 1.00 0.00 H new ATOM 0 HA ILE A 42 25.301 33.099 23.474 1.00 0.00 H new ATOM 0 HB ILE A 42 27.628 32.480 25.160 1.00 0.00 H new ATOM 0 HG12 ILE A 42 24.888 31.159 24.891 1.00 0.00 H new ATOM 0 HG13 ILE A 42 26.146 30.945 23.691 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.389 32.244 27.236 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.572 33.942 26.735 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.014 33.111 26.513 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.107 29.051 25.266 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.638 29.947 25.413 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.360 30.164 26.632 1.00 0.00 H new ATOM 706 N GLN A 43 24.404 35.109 24.577 1.00 0.00 N ATOM 707 CA GLN A 43 23.803 36.299 25.175 1.00 0.00 C ATOM 708 C GLN A 43 22.842 35.846 26.273 1.00 0.00 C ATOM 709 O GLN A 43 21.723 35.430 25.991 1.00 0.00 O ATOM 710 CB GLN A 43 23.104 37.154 24.101 1.00 0.00 C ATOM 711 CG GLN A 43 24.067 38.109 23.375 1.00 0.00 C ATOM 712 CD GLN A 43 24.897 37.523 22.233 1.00 0.00 C ATOM 713 OE1 GLN A 43 24.710 36.411 21.763 1.00 0.00 O ATOM 714 NE2 GLN A 43 25.807 38.292 21.676 1.00 0.00 N ATOM 0 H GLN A 43 23.713 34.422 24.275 1.00 0.00 H new ATOM 0 HA GLN A 43 24.570 36.934 25.618 1.00 0.00 H new ATOM 0 HB2 GLN A 43 22.633 36.496 23.370 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.308 37.734 24.567 1.00 0.00 H new ATOM 0 HG2 GLN A 43 23.484 38.940 22.978 1.00 0.00 H new ATOM 0 HG3 GLN A 43 24.753 38.524 24.113 1.00 0.00 H new ATOM 0 HE21 GLN A 43 25.983 39.225 22.048 1.00 0.00 H new ATOM 0 HE22 GLN A 43 26.336 37.955 20.872 1.00 0.00 H new ATOM 723 N PHE A 44 23.282 35.875 27.529 1.00 0.00 N ATOM 724 CA PHE A 44 22.562 35.315 28.676 1.00 0.00 C ATOM 725 C PHE A 44 22.263 36.381 29.730 1.00 0.00 C ATOM 726 O PHE A 44 23.005 37.344 29.910 1.00 0.00 O ATOM 727 CB PHE A 44 23.356 34.157 29.310 1.00 0.00 C ATOM 728 CG PHE A 44 23.410 32.810 28.597 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.647 32.511 27.446 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.262 31.822 29.124 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.758 31.255 26.822 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.355 30.560 28.513 1.00 0.00 C ATOM 733 CZ PHE A 44 23.612 30.277 27.357 1.00 0.00 C ATOM 0 H PHE A 44 24.173 36.300 27.787 1.00 0.00 H new ATOM 0 HA PHE A 44 21.612 34.931 28.303 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.383 34.498 29.443 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.946 33.985 30.305 1.00 0.00 H new ATOM 0 HD1 PHE A 44 21.973 33.252 27.042 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.849 32.035 30.005 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.186 31.043 25.931 1.00 0.00 H new ATOM 0 HE2 PHE A 44 25.001 29.805 28.935 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.696 29.311 26.881 1.00 0.00 H new ATOM 743 N ASP A 45 21.176 36.179 30.467 1.00 0.00 N ATOM 744 CA ASP A 45 20.884 36.957 31.661 1.00 0.00 C ATOM 745 C ASP A 45 21.567 36.365 32.910 1.00 0.00 C ATOM 746 O ASP A 45 21.942 35.190 32.932 1.00 0.00 O ATOM 747 CB ASP A 45 19.367 37.107 31.808 1.00 0.00 C ATOM 748 CG ASP A 45 19.036 38.076 32.936 1.00 0.00 C ATOM 749 OD1 ASP A 45 19.717 39.125 33.010 1.00 0.00 O ATOM 750 OD2 ASP A 45 18.152 37.786 33.769 1.00 0.00 O ATOM 0 H ASP A 45 20.474 35.471 30.252 1.00 0.00 H new ATOM 0 HA ASP A 45 21.306 37.956 31.557 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.939 37.468 30.873 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.917 36.135 32.011 1.00 0.00 H new ATOM 755 N ASN A 46 21.708 37.206 33.939 1.00 0.00 N ATOM 756 CA ASN A 46 22.624 37.085 35.076 1.00 0.00 C ATOM 757 C ASN A 46 24.115 37.164 34.658 1.00 0.00 C ATOM 758 O ASN A 46 24.788 36.138 34.524 1.00 0.00 O ATOM 759 CB ASN A 46 22.258 35.875 35.952 1.00 0.00 C ATOM 760 CG ASN A 46 22.931 35.920 37.313 1.00 0.00 C ATOM 761 OD1 ASN A 46 23.858 36.679 37.572 1.00 0.00 O ATOM 762 ND2 ASN A 46 22.468 35.122 38.241 1.00 0.00 N ATOM 0 H ASN A 46 21.142 38.052 34.003 1.00 0.00 H new ATOM 0 HA ASN A 46 22.492 37.959 35.713 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.177 35.840 36.085 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.545 34.958 35.438 1.00 0.00 H new ATOM 0 HD21 ASN A 46 22.878 35.133 39.175 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.697 34.489 38.031 1.00 0.00 H new ATOM 769 N PRO A 47 24.671 38.383 34.483 1.00 0.00 N ATOM 770 CA PRO A 47 26.088 38.605 34.170 1.00 0.00 C ATOM 771 C PRO A 47 27.054 37.890 35.123 1.00 0.00 C ATOM 772 O PRO A 47 28.112 37.429 34.705 1.00 0.00 O ATOM 773 CB PRO A 47 26.300 40.120 34.269 1.00 0.00 C ATOM 774 CG PRO A 47 24.916 40.742 34.109 1.00 0.00 C ATOM 775 CD PRO A 47 23.960 39.648 34.565 1.00 0.00 C ATOM 0 HA PRO A 47 26.305 38.198 33.182 1.00 0.00 H new ATOM 0 HB2 PRO A 47 26.743 40.392 35.227 1.00 0.00 H new ATOM 0 HB3 PRO A 47 26.979 40.472 33.493 1.00 0.00 H new ATOM 0 HG2 PRO A 47 24.811 41.641 34.716 1.00 0.00 H new ATOM 0 HG3 PRO A 47 24.726 41.031 33.075 1.00 0.00 H new ATOM 0 HD2 PRO A 47 23.624 39.833 35.585 1.00 0.00 H new ATOM 0 HD3 PRO A 47 23.071 39.629 33.935 1.00 0.00 H new ATOM 783 N GLN A 48 26.683 37.748 36.396 1.00 0.00 N ATOM 784 CA GLN A 48 27.501 37.094 37.413 1.00 0.00 C ATOM 785 C GLN A 48 27.474 35.564 37.309 1.00 0.00 C ATOM 786 O GLN A 48 28.429 34.910 37.730 1.00 0.00 O ATOM 787 CB GLN A 48 27.047 37.548 38.801 1.00 0.00 C ATOM 788 CG GLN A 48 27.223 39.054 39.055 1.00 0.00 C ATOM 789 CD GLN A 48 26.162 39.968 38.436 1.00 0.00 C ATOM 790 OE1 GLN A 48 25.106 39.558 37.965 1.00 0.00 O ATOM 791 NE2 GLN A 48 26.419 41.254 38.408 1.00 0.00 N ATOM 0 H GLN A 48 25.791 38.090 36.753 1.00 0.00 H new ATOM 0 HA GLN A 48 28.535 37.393 37.244 1.00 0.00 H new ATOM 0 HB2 GLN A 48 25.996 37.288 38.931 1.00 0.00 H new ATOM 0 HB3 GLN A 48 27.608 36.995 39.554 1.00 0.00 H new ATOM 0 HG2 GLN A 48 27.235 39.222 40.132 1.00 0.00 H new ATOM 0 HG3 GLN A 48 28.199 39.355 38.675 1.00 0.00 H new ATOM 0 HE21 GLN A 48 27.293 41.608 38.796 1.00 0.00 H new ATOM 0 HE22 GLN A 48 25.745 41.900 37.998 1.00 0.00 H new ATOM 800 N SER A 49 26.438 34.972 36.709 1.00 0.00 N ATOM 801 CA SER A 49 26.483 33.575 36.260 1.00 0.00 C ATOM 802 C SER A 49 27.421 33.415 35.068 1.00 0.00 C ATOM 803 O SER A 49 28.206 32.473 35.041 1.00 0.00 O ATOM 804 CB SER A 49 25.103 33.071 35.850 1.00 0.00 C ATOM 805 OG SER A 49 24.201 33.144 36.926 1.00 0.00 O ATOM 0 H SER A 49 25.552 35.441 36.521 1.00 0.00 H new ATOM 0 HA SER A 49 26.846 32.989 37.104 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.728 33.664 35.016 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.177 32.041 35.501 1.00 0.00 H new ATOM 0 HG SER A 49 23.950 32.239 37.204 1.00 0.00 H new ATOM 811 N VAL A 50 27.383 34.349 34.108 1.00 0.00 N ATOM 812 CA VAL A 50 28.287 34.342 32.943 1.00 0.00 C ATOM 813 C VAL A 50 29.746 34.494 33.392 1.00 0.00 C ATOM 814 O VAL A 50 30.601 33.742 32.930 1.00 0.00 O ATOM 815 CB VAL A 50 27.890 35.419 31.906 1.00 0.00 C ATOM 816 CG1 VAL A 50 28.750 35.346 30.637 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.435 35.252 31.445 1.00 0.00 C ATOM 0 H VAL A 50 26.727 35.130 34.114 1.00 0.00 H new ATOM 0 HA VAL A 50 28.189 33.377 32.446 1.00 0.00 H new ATOM 0 HB VAL A 50 28.036 36.371 32.416 1.00 0.00 H new ATOM 0 HG11 VAL A 50 28.434 36.121 29.939 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.797 35.497 30.898 1.00 0.00 H new ATOM 0 HG13 VAL A 50 28.630 34.368 30.172 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.193 36.026 30.717 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.309 34.271 30.987 1.00 0.00 H new ATOM 0 HG23 VAL A 50 25.769 35.340 32.303 1.00 0.00 H new ATOM 827 N ARG A 51 30.048 35.394 34.340 1.00 0.00 N ATOM 828 CA ARG A 51 31.411 35.557 34.870 1.00 0.00 C ATOM 829 C ARG A 51 31.860 34.390 35.747 1.00 0.00 C ATOM 830 O ARG A 51 32.983 33.925 35.571 1.00 0.00 O ATOM 831 CB ARG A 51 31.571 36.900 35.605 1.00 0.00 C ATOM 832 CG ARG A 51 33.010 37.138 36.120 1.00 0.00 C ATOM 833 CD ARG A 51 34.029 37.160 34.970 1.00 0.00 C ATOM 834 NE ARG A 51 35.427 37.203 35.421 1.00 0.00 N ATOM 835 CZ ARG A 51 36.451 37.557 34.666 1.00 0.00 C ATOM 836 NH1 ARG A 51 36.298 37.967 33.440 1.00 0.00 N ATOM 837 NH2 ARG A 51 37.663 37.507 35.114 1.00 0.00 N ATOM 0 H ARG A 51 29.363 36.023 34.757 1.00 0.00 H new ATOM 0 HA ARG A 51 32.073 35.560 34.004 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.293 37.712 34.933 1.00 0.00 H new ATOM 0 HB3 ARG A 51 30.879 36.932 36.447 1.00 0.00 H new ATOM 0 HG2 ARG A 51 33.051 38.083 36.661 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.277 36.354 36.828 1.00 0.00 H new ATOM 0 HD2 ARG A 51 33.883 36.275 34.350 1.00 0.00 H new ATOM 0 HD3 ARG A 51 33.833 38.027 34.339 1.00 0.00 H new ATOM 0 HE ARG A 51 35.620 36.940 36.387 1.00 0.00 H new ATOM 0 HH11 ARG A 51 35.364 38.023 33.034 1.00 0.00 H new ATOM 0 HH12 ARG A 51 37.112 38.233 32.886 1.00 0.00 H new ATOM 0 HH21 ARG A 51 37.842 37.190 36.067 1.00 0.00 H new ATOM 0 HH22 ARG A 51 38.440 37.785 34.515 1.00 0.00 H new ATOM 851 N ASP A 52 31.015 33.886 36.649 1.00 0.00 N ATOM 852 CA ASP A 52 31.389 32.724 37.466 1.00 0.00 C ATOM 853 C ASP A 52 31.644 31.478 36.601 1.00 0.00 C ATOM 854 O ASP A 52 32.548 30.691 36.877 1.00 0.00 O ATOM 855 CB ASP A 52 30.337 32.443 38.537 1.00 0.00 C ATOM 856 CG ASP A 52 30.785 31.310 39.462 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.909 31.370 40.013 1.00 0.00 O ATOM 858 OD2 ASP A 52 29.983 30.374 39.690 1.00 0.00 O ATOM 0 H ASP A 52 30.082 34.255 36.832 1.00 0.00 H new ATOM 0 HA ASP A 52 32.325 32.968 37.968 1.00 0.00 H new ATOM 0 HB2 ASP A 52 30.158 33.345 39.122 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.392 32.178 38.063 1.00 0.00 H new ATOM 863 N ALA A 53 30.911 31.331 35.497 1.00 0.00 N ATOM 864 CA ALA A 53 31.160 30.276 34.529 1.00 0.00 C ATOM 865 C ALA A 53 32.506 30.444 33.786 1.00 0.00 C ATOM 866 O ALA A 53 33.134 29.435 33.462 1.00 0.00 O ATOM 867 CB ALA A 53 29.948 30.208 33.604 1.00 0.00 C ATOM 0 H ALA A 53 30.131 31.941 35.254 1.00 0.00 H new ATOM 0 HA ALA A 53 31.275 29.319 35.038 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.100 29.424 32.862 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.056 29.985 34.189 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.821 31.166 33.099 1.00 0.00 H new ATOM 873 N ILE A 54 33.023 31.670 33.587 1.00 0.00 N ATOM 874 CA ILE A 54 34.392 31.889 33.068 1.00 0.00 C ATOM 875 C ILE A 54 35.428 31.342 34.050 1.00 0.00 C ATOM 876 O ILE A 54 36.251 30.521 33.657 1.00 0.00 O ATOM 877 CB ILE A 54 34.684 33.371 32.722 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.818 33.796 31.520 1.00 0.00 C ATOM 879 CG2 ILE A 54 36.177 33.612 32.412 1.00 0.00 C ATOM 880 CD1 ILE A 54 33.946 35.262 31.111 1.00 0.00 C ATOM 0 H ILE A 54 32.512 32.532 33.778 1.00 0.00 H new ATOM 0 HA ILE A 54 34.463 31.339 32.129 1.00 0.00 H new ATOM 0 HB ILE A 54 34.434 33.975 33.594 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.081 33.173 30.665 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.774 33.591 31.755 1.00 0.00 H new ATOM 0 HG21 ILE A 54 36.334 34.664 32.175 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.777 33.342 33.281 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.475 33.000 31.561 1.00 0.00 H new ATOM 0 HD11 ILE A 54 33.298 35.460 30.257 1.00 0.00 H new ATOM 0 HD12 ILE A 54 33.652 35.899 31.945 1.00 0.00 H new ATOM 0 HD13 ILE A 54 34.980 35.475 30.838 1.00 0.00 H new ATOM 892 N GLU A 55 35.382 31.732 35.324 1.00 0.00 N ATOM 893 CA GLU A 55 36.355 31.248 36.319 1.00 0.00 C ATOM 894 C GLU A 55 36.217 29.744 36.629 1.00 0.00 C ATOM 895 O GLU A 55 37.160 29.147 37.158 1.00 0.00 O ATOM 896 CB GLU A 55 36.331 32.123 37.586 1.00 0.00 C ATOM 897 CG GLU A 55 34.946 32.166 38.227 1.00 0.00 C ATOM 898 CD GLU A 55 34.889 33.040 39.475 1.00 0.00 C ATOM 899 OE1 GLU A 55 35.256 32.551 40.566 1.00 0.00 O ATOM 900 OE2 GLU A 55 34.390 34.190 39.417 1.00 0.00 O ATOM 0 H GLU A 55 34.687 32.379 35.696 1.00 0.00 H new ATOM 0 HA GLU A 55 37.343 31.350 35.869 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.052 31.737 38.307 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.645 33.136 37.333 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.226 32.538 37.498 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.641 31.152 38.487 1.00 0.00 H new ATOM 907 N CYS A 56 35.092 29.114 36.260 1.00 0.00 N ATOM 908 CA CYS A 56 34.908 27.660 36.275 1.00 0.00 C ATOM 909 C CYS A 56 35.437 26.956 35.010 1.00 0.00 C ATOM 910 O CYS A 56 36.098 25.927 35.135 1.00 0.00 O ATOM 911 CB CYS A 56 33.424 27.325 36.489 1.00 0.00 C ATOM 912 SG CYS A 56 32.881 27.872 38.130 1.00 0.00 S ATOM 0 H CYS A 56 34.266 29.616 35.935 1.00 0.00 H new ATOM 0 HA CYS A 56 35.504 27.280 37.104 1.00 0.00 H new ATOM 0 HB2 CYS A 56 32.821 27.808 35.720 1.00 0.00 H new ATOM 0 HB3 CYS A 56 33.269 26.251 36.387 1.00 0.00 H new ATOM 0 HG CYS A 56 32.600 29.141 38.093 1.00 0.00 H new ATOM 918 N GLU A 57 35.149 27.467 33.808 1.00 0.00 N ATOM 919 CA GLU A 57 35.362 26.751 32.536 1.00 0.00 C ATOM 920 C GLU A 57 36.586 27.230 31.744 1.00 0.00 C ATOM 921 O GLU A 57 37.238 26.421 31.088 1.00 0.00 O ATOM 922 CB GLU A 57 34.083 26.858 31.689 1.00 0.00 C ATOM 923 CG GLU A 57 34.048 25.938 30.459 1.00 0.00 C ATOM 924 CD GLU A 57 34.253 24.469 30.841 1.00 0.00 C ATOM 925 OE1 GLU A 57 33.486 23.953 31.689 1.00 0.00 O ATOM 926 OE2 GLU A 57 35.214 23.818 30.375 1.00 0.00 O ATOM 0 H GLU A 57 34.757 28.400 33.685 1.00 0.00 H new ATOM 0 HA GLU A 57 35.576 25.711 32.781 1.00 0.00 H new ATOM 0 HB2 GLU A 57 33.225 26.629 32.321 1.00 0.00 H new ATOM 0 HB3 GLU A 57 33.969 27.890 31.357 1.00 0.00 H new ATOM 0 HG2 GLU A 57 33.092 26.051 29.948 1.00 0.00 H new ATOM 0 HG3 GLU A 57 34.823 26.242 29.756 1.00 0.00 H new ATOM 933 N SER A 58 36.976 28.504 31.870 1.00 0.00 N ATOM 934 CA SER A 58 38.292 29.004 31.432 1.00 0.00 C ATOM 935 C SER A 58 39.410 28.571 32.393 1.00 0.00 C ATOM 936 O SER A 58 40.568 28.937 32.205 1.00 0.00 O ATOM 937 CB SER A 58 38.256 30.536 31.251 1.00 0.00 C ATOM 938 OG SER A 58 39.401 31.050 30.585 1.00 0.00 O ATOM 0 H SER A 58 36.385 29.226 32.282 1.00 0.00 H new ATOM 0 HA SER A 58 38.518 28.557 30.464 1.00 0.00 H new ATOM 0 HB2 SER A 58 37.364 30.807 30.687 1.00 0.00 H new ATOM 0 HB3 SER A 58 38.171 31.009 32.229 1.00 0.00 H new ATOM 0 HG SER A 58 40.198 30.563 30.882 1.00 0.00 H new ATOM 944 N GLN A 59 39.092 27.810 33.445 1.00 0.00 N ATOM 945 CA GLN A 59 40.067 27.237 34.369 1.00 0.00 C ATOM 946 C GLN A 59 40.950 26.201 33.658 1.00 0.00 C ATOM 947 O GLN A 59 40.441 25.268 33.030 1.00 0.00 O ATOM 948 CB GLN A 59 39.315 26.609 35.551 1.00 0.00 C ATOM 949 CG GLN A 59 40.295 26.131 36.625 1.00 0.00 C ATOM 950 CD GLN A 59 39.640 25.597 37.890 1.00 0.00 C ATOM 951 OE1 GLN A 59 38.427 25.599 38.083 1.00 0.00 O ATOM 952 NE2 GLN A 59 40.446 25.109 38.801 1.00 0.00 N ATOM 0 H GLN A 59 38.128 27.572 33.680 1.00 0.00 H new ATOM 0 HA GLN A 59 40.728 28.021 34.739 1.00 0.00 H new ATOM 0 HB2 GLN A 59 38.627 27.338 35.979 1.00 0.00 H new ATOM 0 HB3 GLN A 59 38.714 25.770 35.201 1.00 0.00 H new ATOM 0 HG2 GLN A 59 40.925 25.349 36.201 1.00 0.00 H new ATOM 0 HG3 GLN A 59 40.951 26.959 36.893 1.00 0.00 H new ATOM 0 HE21 GLN A 59 41.454 25.107 38.642 1.00 0.00 H new ATOM 0 HE22 GLN A 59 40.066 24.731 39.669 1.00 0.00 H new ATOM 1097 N ILE A 68 39.376 29.900 26.585 1.00 0.00 N ATOM 1098 CA ILE A 68 39.630 31.339 26.689 1.00 0.00 C ATOM 1099 C ILE A 68 38.306 32.037 26.430 1.00 0.00 C ATOM 1100 O ILE A 68 37.797 32.021 25.312 1.00 0.00 O ATOM 1101 CB ILE A 68 40.757 31.770 25.728 1.00 0.00 C ATOM 1102 CG1 ILE A 68 42.102 31.054 26.002 1.00 0.00 C ATOM 1103 CG2 ILE A 68 40.942 33.294 25.766 1.00 0.00 C ATOM 1104 CD1 ILE A 68 42.732 31.294 27.383 1.00 0.00 C ATOM 0 HA ILE A 68 39.990 31.618 27.679 1.00 0.00 H new ATOM 0 HB ILE A 68 40.444 31.467 24.729 1.00 0.00 H new ATOM 0 HG12 ILE A 68 41.951 29.982 25.877 1.00 0.00 H new ATOM 0 HG13 ILE A 68 42.817 31.366 25.241 1.00 0.00 H new ATOM 0 HG21 ILE A 68 41.741 33.581 25.082 1.00 0.00 H new ATOM 0 HG22 ILE A 68 40.014 33.781 25.465 1.00 0.00 H new ATOM 0 HG23 ILE A 68 41.202 33.604 26.778 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.669 30.741 27.457 1.00 0.00 H new ATOM 0 HD12 ILE A 68 42.927 32.358 27.514 1.00 0.00 H new ATOM 0 HD13 ILE A 68 42.047 30.953 28.159 1.00 0.00 H new ATOM 1116 N LEU A 69 37.725 32.588 27.491 1.00 0.00 N ATOM 1117 CA LEU A 69 36.343 33.056 27.528 1.00 0.00 C ATOM 1118 C LEU A 69 36.311 34.509 28.022 1.00 0.00 C ATOM 1119 O LEU A 69 37.050 34.847 28.948 1.00 0.00 O ATOM 1120 CB LEU A 69 35.524 32.128 28.449 1.00 0.00 C ATOM 1121 CG LEU A 69 35.642 30.609 28.192 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.839 29.836 29.240 1.00 0.00 C ATOM 1123 CD2 LEU A 69 35.096 30.200 26.829 1.00 0.00 C ATOM 0 H LEU A 69 38.216 32.725 28.374 1.00 0.00 H new ATOM 0 HA LEU A 69 35.902 33.029 26.531 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.823 32.322 29.479 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.474 32.406 28.364 1.00 0.00 H new ATOM 0 HG LEU A 69 36.706 30.377 28.240 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.928 28.766 29.051 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.225 30.062 30.234 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.790 30.128 29.183 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.204 29.123 26.702 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.042 30.469 26.764 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.651 30.715 26.045 1.00 0.00 H new ATOM 1135 N GLU A 70 35.467 35.360 27.438 1.00 0.00 N ATOM 1136 CA GLU A 70 35.305 36.756 27.874 1.00 0.00 C ATOM 1137 C GLU A 70 33.838 37.144 28.042 1.00 0.00 C ATOM 1138 O GLU A 70 33.010 36.825 27.191 1.00 0.00 O ATOM 1139 CB GLU A 70 36.010 37.718 26.902 1.00 0.00 C ATOM 1140 CG GLU A 70 35.938 39.207 27.302 1.00 0.00 C ATOM 1141 CD GLU A 70 36.647 39.515 28.628 1.00 0.00 C ATOM 1142 OE1 GLU A 70 36.198 39.041 29.699 1.00 0.00 O ATOM 1143 OE2 GLU A 70 37.690 40.213 28.627 1.00 0.00 O ATOM 0 H GLU A 70 34.874 35.105 26.648 1.00 0.00 H new ATOM 0 HA GLU A 70 35.775 36.839 28.854 1.00 0.00 H new ATOM 0 HB2 GLU A 70 37.058 37.428 26.821 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.569 37.600 25.912 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.384 39.810 26.511 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.892 39.505 27.379 1.00 0.00 H new ATOM 1150 N VAL A 71 33.537 37.881 29.116 1.00 0.00 N ATOM 1151 CA VAL A 71 32.203 38.421 29.404 1.00 0.00 C ATOM 1152 C VAL A 71 32.150 39.907 29.074 1.00 0.00 C ATOM 1153 O VAL A 71 32.998 40.706 29.489 1.00 0.00 O ATOM 1154 CB VAL A 71 31.728 38.105 30.834 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.663 38.633 31.923 1.00 0.00 C ATOM 1156 CG2 VAL A 71 30.314 38.628 31.109 1.00 0.00 C ATOM 0 H VAL A 71 34.229 38.124 29.825 1.00 0.00 H new ATOM 0 HA VAL A 71 31.490 37.914 28.754 1.00 0.00 H new ATOM 0 HB VAL A 71 31.731 37.016 30.880 1.00 0.00 H new ATOM 0 HG11 VAL A 71 32.264 38.373 32.903 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.650 38.186 31.803 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.743 39.717 31.840 1.00 0.00 H new ATOM 0 HG21 VAL A 71 30.026 38.379 32.131 1.00 0.00 H new ATOM 0 HG22 VAL A 71 30.295 39.710 30.980 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.614 38.167 30.413 1.00 0.00 H new ATOM 1166 N SER A 72 31.126 40.298 28.330 1.00 0.00 N ATOM 1167 CA SER A 72 30.898 41.670 27.891 1.00 0.00 C ATOM 1168 C SER A 72 29.440 42.044 28.118 1.00 0.00 C ATOM 1169 O SER A 72 28.565 41.194 28.018 1.00 0.00 O ATOM 1170 CB SER A 72 31.300 41.799 26.418 1.00 0.00 C ATOM 1171 OG SER A 72 31.381 43.155 26.021 1.00 0.00 O ATOM 0 H SER A 72 30.408 39.651 28.004 1.00 0.00 H new ATOM 0 HA SER A 72 31.509 42.362 28.470 1.00 0.00 H new ATOM 0 HB2 SER A 72 32.263 41.314 26.258 1.00 0.00 H new ATOM 0 HB3 SER A 72 30.573 41.279 25.794 1.00 0.00 H new ATOM 0 HG SER A 72 31.641 43.205 25.077 1.00 0.00 H new ATOM 1177 N SER A 73 29.165 43.313 28.393 1.00 0.00 N ATOM 1178 CA SER A 73 27.794 43.828 28.474 1.00 0.00 C ATOM 1179 C SER A 73 27.690 45.124 27.674 1.00 0.00 C ATOM 1180 O SER A 73 28.572 45.986 27.758 1.00 0.00 O ATOM 1181 CB SER A 73 27.343 43.999 29.932 1.00 0.00 C ATOM 1182 OG SER A 73 27.274 42.741 30.582 1.00 0.00 O ATOM 0 H SER A 73 29.882 44.018 28.567 1.00 0.00 H new ATOM 0 HA SER A 73 27.111 43.102 28.033 1.00 0.00 H new ATOM 0 HB2 SER A 73 28.040 44.650 30.460 1.00 0.00 H new ATOM 0 HB3 SER A 73 26.368 44.484 29.962 1.00 0.00 H new ATOM 0 HG SER A 73 26.987 42.868 31.510 1.00 0.00 H new