USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=9 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= -0.0584 K(o=-0.058,f=-4.8!) USER MOD Set 1.2: A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -27:sc= 1.25 USER MOD Single : A 9 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.35) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.306 X(o=0.31,f=-0.099) USER MOD Single : A 16 SER OG : rot -55:sc= 1.22 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -180:sc= 1.87 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-7.6!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.2) USER MOD Single : A 34 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0739 X(o=-0.074,f=-0.074) USER MOD Single : A 43 GLN : amide:sc= 0.767 K(o=0.77,f=-8.9!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 56 CYS SG : rot 94:sc= 0.76 USER MOD Single : A 58 SER OG : rot -39:sc= 0.07 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -94:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 17.889 40.911 33.406 1.00 0.00 N ATOM 2 CA PRO A 1 19.127 41.632 33.038 1.00 0.00 C ATOM 3 C PRO A 1 19.716 41.134 31.706 1.00 0.00 C ATOM 4 O PRO A 1 19.046 40.410 30.966 1.00 0.00 O ATOM 5 CB PRO A 1 20.069 41.538 34.250 1.00 0.00 C ATOM 6 CG PRO A 1 19.169 41.084 35.405 1.00 0.00 C ATOM 7 CD PRO A 1 17.758 41.185 34.841 1.00 0.00 C ATOM 0 H2 PRO A 1 17.965 39.911 33.218 1.00 0.00 H new ATOM 0 H3 PRO A 1 17.084 41.253 32.882 1.00 0.00 H new ATOM 0 HA PRO A 1 18.936 42.685 32.831 1.00 0.00 H new ATOM 0 HB2 PRO A 1 20.875 40.826 34.072 1.00 0.00 H new ATOM 0 HB3 PRO A 1 20.535 42.499 34.465 1.00 0.00 H new ATOM 0 HG2 PRO A 1 19.402 40.065 35.715 1.00 0.00 H new ATOM 0 HG3 PRO A 1 19.294 41.720 36.281 1.00 0.00 H new ATOM 0 HD2 PRO A 1 17.092 40.466 35.319 1.00 0.00 H new ATOM 0 HD3 PRO A 1 17.336 42.175 35.015 1.00 0.00 H new ATOM 17 N LYS A 2 20.943 41.548 31.354 1.00 0.00 N ATOM 18 CA LYS A 2 21.586 41.197 30.073 1.00 0.00 C ATOM 19 C LYS A 2 23.119 41.164 30.112 1.00 0.00 C ATOM 20 O LYS A 2 23.777 41.939 30.815 1.00 0.00 O ATOM 21 CB LYS A 2 21.076 42.130 28.960 1.00 0.00 C ATOM 22 CG LYS A 2 21.526 43.595 29.123 1.00 0.00 C ATOM 23 CD LYS A 2 20.425 44.602 28.773 1.00 0.00 C ATOM 24 CE LYS A 2 19.297 44.563 29.816 1.00 0.00 C ATOM 25 NZ LYS A 2 18.400 45.731 29.691 1.00 0.00 N ATOM 0 H LYS A 2 21.522 42.139 31.951 1.00 0.00 H new ATOM 0 HA LYS A 2 21.295 40.168 29.860 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.426 41.757 27.997 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.987 42.094 28.939 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.847 43.759 30.152 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.392 43.776 28.487 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.847 45.606 28.724 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.021 44.378 27.786 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.720 43.646 29.695 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.727 44.539 30.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.651 45.672 30.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.946 46.605 29.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.971 45.739 28.744 1.00 0.00 H new ATOM 39 N SER A 3 23.683 40.247 29.342 1.00 0.00 N ATOM 40 CA SER A 3 25.116 40.012 29.181 1.00 0.00 C ATOM 41 C SER A 3 25.371 39.174 27.929 1.00 0.00 C ATOM 42 O SER A 3 24.455 38.583 27.353 1.00 0.00 O ATOM 43 CB SER A 3 25.670 39.283 30.413 1.00 0.00 C ATOM 44 OG SER A 3 25.214 37.948 30.498 1.00 0.00 O ATOM 0 H SER A 3 23.123 39.607 28.778 1.00 0.00 H new ATOM 0 HA SER A 3 25.621 40.973 29.077 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.759 39.291 30.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.377 39.822 31.314 1.00 0.00 H new ATOM 0 HG SER A 3 24.347 37.869 30.049 1.00 0.00 H new ATOM 50 N ARG A 4 26.632 39.077 27.524 1.00 0.00 N ATOM 51 CA ARG A 4 27.082 38.175 26.467 1.00 0.00 C ATOM 52 C ARG A 4 28.423 37.551 26.808 1.00 0.00 C ATOM 53 O ARG A 4 29.213 38.140 27.543 1.00 0.00 O ATOM 54 CB ARG A 4 27.081 38.910 25.124 1.00 0.00 C ATOM 55 CG ARG A 4 28.158 39.998 25.014 1.00 0.00 C ATOM 56 CD ARG A 4 27.869 40.963 23.863 1.00 0.00 C ATOM 57 NE ARG A 4 27.571 40.270 22.597 1.00 0.00 N ATOM 58 CZ ARG A 4 27.622 40.795 21.392 1.00 0.00 C ATOM 59 NH1 ARG A 4 27.969 42.024 21.179 1.00 0.00 N ATOM 60 NH2 ARG A 4 27.300 40.096 20.351 1.00 0.00 N ATOM 0 H ARG A 4 27.386 39.633 27.928 1.00 0.00 H new ATOM 0 HA ARG A 4 26.385 37.342 26.381 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.227 38.185 24.323 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.102 39.364 24.969 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.212 40.553 25.950 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.132 39.533 24.863 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.025 41.599 24.131 1.00 0.00 H new ATOM 0 HD3 ARG A 4 28.728 41.618 23.720 1.00 0.00 H new ATOM 0 HE ARG A 4 27.299 39.289 22.661 1.00 0.00 H new ATOM 0 HH11 ARG A 4 28.217 42.627 21.963 1.00 0.00 H new ATOM 0 HH12 ARG A 4 27.995 42.389 20.227 1.00 0.00 H new ATOM 0 HH21 ARG A 4 27.002 39.126 20.460 1.00 0.00 H new ATOM 0 HH22 ARG A 4 27.344 40.515 19.422 1.00 0.00 H new ATOM 74 N LEU A 5 28.661 36.369 26.257 1.00 0.00 N ATOM 75 CA LEU A 5 29.854 35.558 26.459 1.00 0.00 C ATOM 76 C LEU A 5 30.415 35.175 25.091 1.00 0.00 C ATOM 77 O LEU A 5 29.731 34.560 24.273 1.00 0.00 O ATOM 78 CB LEU A 5 29.465 34.356 27.331 1.00 0.00 C ATOM 79 CG LEU A 5 30.545 33.346 27.740 1.00 0.00 C ATOM 80 CD1 LEU A 5 31.115 32.496 26.607 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.685 34.006 28.505 1.00 0.00 C ATOM 0 H LEU A 5 27.993 35.927 25.625 1.00 0.00 H new ATOM 0 HA LEU A 5 30.646 36.094 26.983 1.00 0.00 H new ATOM 0 HB2 LEU A 5 29.017 34.745 28.245 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.685 33.807 26.803 1.00 0.00 H new ATOM 0 HG LEU A 5 30.007 32.658 28.392 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.869 31.817 27.005 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.313 31.918 26.147 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.570 33.145 25.859 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.426 33.253 28.774 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.151 34.767 27.879 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.295 34.471 29.410 1.00 0.00 H new ATOM 93 N PHE A 6 31.660 35.560 24.848 1.00 0.00 N ATOM 94 CA PHE A 6 32.358 35.340 23.589 1.00 0.00 C ATOM 95 C PHE A 6 33.313 34.145 23.683 1.00 0.00 C ATOM 96 O PHE A 6 34.083 34.053 24.641 1.00 0.00 O ATOM 97 CB PHE A 6 33.098 36.637 23.252 1.00 0.00 C ATOM 98 CG PHE A 6 34.017 36.574 22.052 1.00 0.00 C ATOM 99 CD1 PHE A 6 33.633 35.904 20.873 1.00 0.00 C ATOM 100 CD2 PHE A 6 35.267 37.211 22.117 1.00 0.00 C ATOM 101 CE1 PHE A 6 34.491 35.881 19.762 1.00 0.00 C ATOM 102 CE2 PHE A 6 36.120 37.189 21.005 1.00 0.00 C ATOM 103 CZ PHE A 6 35.730 36.534 19.826 1.00 0.00 C ATOM 0 H PHE A 6 32.228 36.048 25.541 1.00 0.00 H new ATOM 0 HA PHE A 6 31.653 35.094 22.795 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.360 37.421 23.081 1.00 0.00 H new ATOM 0 HB3 PHE A 6 33.685 36.935 24.121 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.676 35.407 20.824 1.00 0.00 H new ATOM 0 HD2 PHE A 6 35.570 37.717 23.022 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.198 35.362 18.861 1.00 0.00 H new ATOM 0 HE2 PHE A 6 37.082 37.678 21.055 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.385 36.533 18.967 1.00 0.00 H new ATOM 113 N ILE A 7 33.289 33.261 22.678 1.00 0.00 N ATOM 114 CA ILE A 7 34.309 32.222 22.480 1.00 0.00 C ATOM 115 C ILE A 7 35.418 32.782 21.581 1.00 0.00 C ATOM 116 O ILE A 7 35.277 32.814 20.356 1.00 0.00 O ATOM 117 CB ILE A 7 33.704 30.928 21.883 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.416 30.435 22.578 1.00 0.00 C ATOM 119 CG2 ILE A 7 34.765 29.811 21.861 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.537 30.169 24.081 1.00 0.00 C ATOM 0 H ILE A 7 32.553 33.246 21.972 1.00 0.00 H new ATOM 0 HA ILE A 7 34.728 31.948 23.449 1.00 0.00 H new ATOM 0 HB ILE A 7 33.401 31.185 20.868 1.00 0.00 H new ATOM 0 HG12 ILE A 7 31.633 31.176 22.420 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.089 29.517 22.090 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.330 28.905 21.439 1.00 0.00 H new ATOM 0 HG22 ILE A 7 35.612 30.125 21.251 1.00 0.00 H new ATOM 0 HG23 ILE A 7 35.105 29.612 22.877 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.577 29.828 24.469 1.00 0.00 H new ATOM 0 HD12 ILE A 7 33.292 29.402 24.255 1.00 0.00 H new ATOM 0 HD13 ILE A 7 32.828 31.087 24.591 1.00 0.00 H new ATOM 132 N GLY A 8 36.525 33.217 22.181 1.00 0.00 N ATOM 133 CA GLY A 8 37.693 33.707 21.446 1.00 0.00 C ATOM 134 C GLY A 8 38.364 32.613 20.605 1.00 0.00 C ATOM 135 O GLY A 8 38.246 31.422 20.900 1.00 0.00 O ATOM 0 H GLY A 8 36.639 33.240 23.194 1.00 0.00 H new ATOM 0 HA2 GLY A 8 37.390 34.526 20.794 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.418 34.113 22.152 1.00 0.00 H new ATOM 139 N ASN A 9 39.088 33.024 19.560 1.00 0.00 N ATOM 140 CA ASN A 9 39.744 32.163 18.569 1.00 0.00 C ATOM 141 C ASN A 9 40.619 31.062 19.213 1.00 0.00 C ATOM 142 O ASN A 9 41.777 31.293 19.581 1.00 0.00 O ATOM 143 CB ASN A 9 40.535 33.081 17.616 1.00 0.00 C ATOM 144 CG ASN A 9 41.264 32.335 16.515 1.00 0.00 C ATOM 145 OD1 ASN A 9 40.832 32.275 15.374 1.00 0.00 O ATOM 146 ND2 ASN A 9 42.378 31.724 16.821 1.00 0.00 N ATOM 0 H ASN A 9 39.241 34.015 19.372 1.00 0.00 H new ATOM 0 HA ASN A 9 38.995 31.605 18.007 1.00 0.00 H new ATOM 0 HB2 ASN A 9 39.849 33.798 17.164 1.00 0.00 H new ATOM 0 HB3 ASN A 9 41.259 33.654 18.195 1.00 0.00 H new ATOM 0 HD21 ASN A 9 42.884 31.199 16.108 1.00 0.00 H new ATOM 0 HD22 ASN A 9 42.741 31.772 17.773 1.00 0.00 H new ATOM 153 N LEU A 10 40.052 29.857 19.320 1.00 0.00 N ATOM 154 CA LEU A 10 40.674 28.675 19.921 1.00 0.00 C ATOM 155 C LEU A 10 40.171 27.356 19.288 1.00 0.00 C ATOM 156 O LEU A 10 41.016 26.615 18.777 1.00 0.00 O ATOM 157 CB LEU A 10 40.488 28.758 21.458 1.00 0.00 C ATOM 158 CG LEU A 10 41.245 27.758 22.352 1.00 0.00 C ATOM 159 CD1 LEU A 10 40.790 26.307 22.212 1.00 0.00 C ATOM 160 CD2 LEU A 10 42.751 27.825 22.126 1.00 0.00 C ATOM 0 H LEU A 10 39.110 29.671 18.976 1.00 0.00 H new ATOM 0 HA LEU A 10 41.743 28.665 19.710 1.00 0.00 H new ATOM 0 HB2 LEU A 10 40.773 29.762 21.771 1.00 0.00 H new ATOM 0 HB3 LEU A 10 39.424 28.649 21.668 1.00 0.00 H new ATOM 0 HG LEU A 10 41.000 28.075 23.365 1.00 0.00 H new ATOM 0 HD11 LEU A 10 41.378 25.675 22.878 1.00 0.00 H new ATOM 0 HD12 LEU A 10 39.735 26.229 22.476 1.00 0.00 H new ATOM 0 HD13 LEU A 10 40.932 25.979 21.182 1.00 0.00 H new ATOM 0 HD21 LEU A 10 43.249 27.105 22.775 1.00 0.00 H new ATOM 0 HD22 LEU A 10 42.974 27.590 21.085 1.00 0.00 H new ATOM 0 HD23 LEU A 10 43.109 28.828 22.356 1.00 0.00 H new ATOM 172 N PRO A 11 38.854 27.032 19.256 1.00 0.00 N ATOM 173 CA PRO A 11 38.414 25.684 18.883 1.00 0.00 C ATOM 174 C PRO A 11 38.564 25.388 17.384 1.00 0.00 C ATOM 175 O PRO A 11 39.125 24.350 17.044 1.00 0.00 O ATOM 176 CB PRO A 11 36.966 25.563 19.367 1.00 0.00 C ATOM 177 CG PRO A 11 36.462 27.005 19.335 1.00 0.00 C ATOM 178 CD PRO A 11 37.705 27.809 19.718 1.00 0.00 C ATOM 0 HA PRO A 11 39.049 24.933 19.354 1.00 0.00 H new ATOM 0 HB2 PRO A 11 36.377 24.917 18.716 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.911 25.140 20.370 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.090 27.281 18.348 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.645 27.163 20.039 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.689 28.794 19.253 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.750 27.966 20.796 1.00 0.00 H new ATOM 186 N LEU A 12 38.111 26.286 16.496 1.00 0.00 N ATOM 187 CA LEU A 12 38.261 26.263 15.023 1.00 0.00 C ATOM 188 C LEU A 12 37.729 25.026 14.259 1.00 0.00 C ATOM 189 O LEU A 12 37.584 25.106 13.038 1.00 0.00 O ATOM 190 CB LEU A 12 39.728 26.574 14.638 1.00 0.00 C ATOM 191 CG LEU A 12 40.090 28.070 14.574 1.00 0.00 C ATOM 192 CD1 LEU A 12 39.923 28.797 15.909 1.00 0.00 C ATOM 193 CD2 LEU A 12 41.545 28.230 14.135 1.00 0.00 C ATOM 0 H LEU A 12 37.592 27.108 16.805 1.00 0.00 H new ATOM 0 HA LEU A 12 37.585 27.047 14.683 1.00 0.00 H new ATOM 0 HB2 LEU A 12 40.386 26.089 15.359 1.00 0.00 H new ATOM 0 HB3 LEU A 12 39.934 26.126 13.666 1.00 0.00 H new ATOM 0 HG LEU A 12 39.398 28.515 13.860 1.00 0.00 H new ATOM 0 HD11 LEU A 12 40.196 29.846 15.789 1.00 0.00 H new ATOM 0 HD12 LEU A 12 38.885 28.727 16.234 1.00 0.00 H new ATOM 0 HD13 LEU A 12 40.569 28.337 16.657 1.00 0.00 H new ATOM 0 HD21 LEU A 12 41.797 29.289 14.091 1.00 0.00 H new ATOM 0 HD22 LEU A 12 42.198 27.731 14.851 1.00 0.00 H new ATOM 0 HD23 LEU A 12 41.679 27.784 13.150 1.00 0.00 H new ATOM 205 N LYS A 13 37.437 23.907 14.929 1.00 0.00 N ATOM 206 CA LYS A 13 37.090 22.606 14.338 1.00 0.00 C ATOM 207 C LYS A 13 35.816 22.030 14.949 1.00 0.00 C ATOM 208 O LYS A 13 35.588 22.156 16.154 1.00 0.00 O ATOM 209 CB LYS A 13 38.249 21.616 14.546 1.00 0.00 C ATOM 210 CG LYS A 13 39.578 22.022 13.889 1.00 0.00 C ATOM 211 CD LYS A 13 39.468 22.096 12.360 1.00 0.00 C ATOM 212 CE LYS A 13 40.841 22.254 11.709 1.00 0.00 C ATOM 213 NZ LYS A 13 41.460 23.571 11.980 1.00 0.00 N ATOM 0 H LYS A 13 37.435 23.880 15.949 1.00 0.00 H new ATOM 0 HA LYS A 13 36.915 22.761 13.273 1.00 0.00 H new ATOM 0 HB2 LYS A 13 38.413 21.493 15.616 1.00 0.00 H new ATOM 0 HB3 LYS A 13 37.950 20.643 14.155 1.00 0.00 H new ATOM 0 HG2 LYS A 13 39.892 22.991 14.277 1.00 0.00 H new ATOM 0 HG3 LYS A 13 40.351 21.304 14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 13 38.987 21.193 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 13 38.832 22.936 12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 13 41.502 21.466 12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 13 40.744 22.119 10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 42.388 23.621 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 40.847 24.325 11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 41.581 23.693 13.006 1.00 0.00 H new ATOM 227 N ASN A 14 35.027 21.360 14.108 1.00 0.00 N ATOM 228 CA ASN A 14 33.769 20.680 14.421 1.00 0.00 C ATOM 229 C ASN A 14 32.794 21.471 15.319 1.00 0.00 C ATOM 230 O ASN A 14 32.033 20.870 16.081 1.00 0.00 O ATOM 231 CB ASN A 14 34.068 19.240 14.880 1.00 0.00 C ATOM 232 CG ASN A 14 34.796 19.149 16.207 1.00 0.00 C ATOM 233 OD1 ASN A 14 35.971 18.828 16.283 1.00 0.00 O ATOM 234 ND2 ASN A 14 34.133 19.404 17.301 1.00 0.00 N ATOM 0 H ASN A 14 35.267 21.272 13.121 1.00 0.00 H new ATOM 0 HA ASN A 14 33.187 20.622 13.502 1.00 0.00 H new ATOM 0 HB2 ASN A 14 33.129 18.692 14.955 1.00 0.00 H new ATOM 0 HB3 ASN A 14 34.666 18.744 14.116 1.00 0.00 H new ATOM 0 HD21 ASN A 14 34.597 19.334 18.207 1.00 0.00 H new ATOM 0 HD22 ASN A 14 33.150 19.673 17.251 1.00 0.00 H new ATOM 241 N VAL A 15 32.818 22.809 15.267 1.00 0.00 N ATOM 242 CA VAL A 15 32.080 23.631 16.236 1.00 0.00 C ATOM 243 C VAL A 15 30.571 23.511 16.028 1.00 0.00 C ATOM 244 O VAL A 15 30.065 23.476 14.899 1.00 0.00 O ATOM 245 CB VAL A 15 32.552 25.098 16.297 1.00 0.00 C ATOM 246 CG1 VAL A 15 34.066 25.199 16.525 1.00 0.00 C ATOM 247 CG2 VAL A 15 32.178 25.919 15.064 1.00 0.00 C ATOM 0 H VAL A 15 33.337 23.343 14.570 1.00 0.00 H new ATOM 0 HA VAL A 15 32.313 23.223 17.220 1.00 0.00 H new ATOM 0 HB VAL A 15 32.020 25.523 17.149 1.00 0.00 H new ATOM 0 HG11 VAL A 15 34.359 26.248 16.562 1.00 0.00 H new ATOM 0 HG12 VAL A 15 34.325 24.716 17.467 1.00 0.00 H new ATOM 0 HG13 VAL A 15 34.591 24.704 15.708 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.544 26.939 15.181 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.629 25.471 14.178 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.094 25.933 14.951 1.00 0.00 H new ATOM 257 N SER A 16 29.844 23.414 17.136 1.00 0.00 N ATOM 258 CA SER A 16 28.404 23.166 17.163 1.00 0.00 C ATOM 259 C SER A 16 27.735 23.937 18.301 1.00 0.00 C ATOM 260 O SER A 16 28.386 24.291 19.285 1.00 0.00 O ATOM 261 CB SER A 16 28.168 21.657 17.282 1.00 0.00 C ATOM 262 OG SER A 16 28.658 21.129 18.506 1.00 0.00 O ATOM 0 H SER A 16 30.250 23.508 18.067 1.00 0.00 H new ATOM 0 HA SER A 16 27.951 23.524 16.238 1.00 0.00 H new ATOM 0 HB2 SER A 16 27.101 21.451 17.202 1.00 0.00 H new ATOM 0 HB3 SER A 16 28.654 21.149 16.449 1.00 0.00 H new ATOM 0 HG SER A 16 29.607 21.353 18.602 1.00 0.00 H new ATOM 268 N LYS A 17 26.431 24.210 18.202 1.00 0.00 N ATOM 269 CA LYS A 17 25.662 24.886 19.267 1.00 0.00 C ATOM 270 C LYS A 17 25.710 24.105 20.586 1.00 0.00 C ATOM 271 O LYS A 17 25.659 24.694 21.662 1.00 0.00 O ATOM 272 CB LYS A 17 24.218 25.123 18.795 1.00 0.00 C ATOM 273 CG LYS A 17 24.160 26.120 17.625 1.00 0.00 C ATOM 274 CD LYS A 17 22.719 26.514 17.293 1.00 0.00 C ATOM 275 CE LYS A 17 22.697 27.496 16.117 1.00 0.00 C ATOM 276 NZ LYS A 17 21.344 28.050 15.899 1.00 0.00 N ATOM 0 H LYS A 17 25.872 23.971 17.383 1.00 0.00 H new ATOM 0 HA LYS A 17 26.123 25.853 19.467 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.775 24.175 18.488 1.00 0.00 H new ATOM 0 HB3 LYS A 17 23.621 25.500 19.625 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.733 27.012 17.877 1.00 0.00 H new ATOM 0 HG3 LYS A 17 24.629 25.678 16.746 1.00 0.00 H new ATOM 0 HD2 LYS A 17 22.139 25.625 17.045 1.00 0.00 H new ATOM 0 HD3 LYS A 17 22.248 26.969 18.165 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.398 28.309 16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.034 26.990 15.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.365 28.711 15.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 20.681 27.276 15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.033 28.554 16.754 1.00 0.00 H new ATOM 290 N GLU A 18 25.917 22.794 20.503 1.00 0.00 N ATOM 291 CA GLU A 18 26.210 21.923 21.636 1.00 0.00 C ATOM 292 C GLU A 18 27.552 22.226 22.329 1.00 0.00 C ATOM 293 O GLU A 18 27.656 22.012 23.527 1.00 0.00 O ATOM 294 CB GLU A 18 26.157 20.481 21.127 1.00 0.00 C ATOM 295 CG GLU A 18 26.250 19.443 22.242 1.00 0.00 C ATOM 296 CD GLU A 18 25.850 18.094 21.662 1.00 0.00 C ATOM 297 OE1 GLU A 18 24.630 17.824 21.559 1.00 0.00 O ATOM 298 OE2 GLU A 18 26.748 17.352 21.196 1.00 0.00 O ATOM 0 H GLU A 18 25.884 22.292 19.615 1.00 0.00 H new ATOM 0 HA GLU A 18 25.463 22.098 22.411 1.00 0.00 H new ATOM 0 HB2 GLU A 18 25.228 20.331 20.577 1.00 0.00 H new ATOM 0 HB3 GLU A 18 26.973 20.321 20.423 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.264 19.401 22.640 1.00 0.00 H new ATOM 0 HG3 GLU A 18 25.593 19.712 23.069 1.00 0.00 H new ATOM 305 N ASP A 19 28.575 22.756 21.648 1.00 0.00 N ATOM 306 CA ASP A 19 29.794 23.247 22.319 1.00 0.00 C ATOM 307 C ASP A 19 29.505 24.489 23.169 1.00 0.00 C ATOM 308 O ASP A 19 29.929 24.560 24.319 1.00 0.00 O ATOM 309 CB ASP A 19 30.918 23.543 21.315 1.00 0.00 C ATOM 310 CG ASP A 19 31.380 22.272 20.616 1.00 0.00 C ATOM 311 OD1 ASP A 19 32.102 21.465 21.256 1.00 0.00 O ATOM 312 OD2 ASP A 19 30.961 22.033 19.460 1.00 0.00 O ATOM 0 H ASP A 19 28.587 22.858 20.633 1.00 0.00 H new ATOM 0 HA ASP A 19 30.131 22.448 22.979 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.568 24.262 20.574 1.00 0.00 H new ATOM 0 HB3 ASP A 19 31.760 24.003 21.833 1.00 0.00 H new ATOM 317 N LEU A 20 28.718 25.436 22.651 1.00 0.00 N ATOM 318 CA LEU A 20 28.295 26.621 23.407 1.00 0.00 C ATOM 319 C LEU A 20 27.461 26.193 24.631 1.00 0.00 C ATOM 320 O LEU A 20 27.720 26.636 25.749 1.00 0.00 O ATOM 321 CB LEU A 20 27.520 27.581 22.472 1.00 0.00 C ATOM 322 CG LEU A 20 28.340 28.435 21.477 1.00 0.00 C ATOM 323 CD1 LEU A 20 29.093 29.562 22.178 1.00 0.00 C ATOM 324 CD2 LEU A 20 29.364 27.647 20.656 1.00 0.00 C ATOM 0 H LEU A 20 28.356 25.404 21.698 1.00 0.00 H new ATOM 0 HA LEU A 20 29.166 27.158 23.783 1.00 0.00 H new ATOM 0 HB2 LEU A 20 26.809 26.988 21.897 1.00 0.00 H new ATOM 0 HB3 LEU A 20 26.938 28.260 23.096 1.00 0.00 H new ATOM 0 HG LEU A 20 27.583 28.828 20.799 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.656 30.137 21.442 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.382 30.216 22.682 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.780 29.140 22.911 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.892 28.325 19.986 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.079 27.170 21.327 1.00 0.00 H new ATOM 0 HD23 LEU A 20 28.851 26.884 20.070 1.00 0.00 H new ATOM 336 N PHE A 21 26.522 25.263 24.435 1.00 0.00 N ATOM 337 CA PHE A 21 25.645 24.736 25.483 1.00 0.00 C ATOM 338 C PHE A 21 26.374 23.855 26.519 1.00 0.00 C ATOM 339 O PHE A 21 26.059 23.930 27.710 1.00 0.00 O ATOM 340 CB PHE A 21 24.498 23.978 24.799 1.00 0.00 C ATOM 341 CG PHE A 21 23.395 23.510 25.727 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.554 22.320 26.464 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.199 24.244 25.845 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.537 21.885 27.328 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.166 23.778 26.679 1.00 0.00 C ATOM 346 CZ PHE A 21 21.336 22.600 27.421 1.00 0.00 C ATOM 0 H PHE A 21 26.347 24.846 23.521 1.00 0.00 H new ATOM 0 HA PHE A 21 25.260 25.573 26.065 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.061 24.622 24.036 1.00 0.00 H new ATOM 0 HB3 PHE A 21 24.912 23.111 24.285 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.460 21.741 26.364 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.075 25.165 25.295 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.681 20.996 27.923 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.240 24.329 26.748 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.543 22.245 28.062 1.00 0.00 H new ATOM 356 N ARG A 22 27.352 23.024 26.122 1.00 0.00 N ATOM 357 CA ARG A 22 28.150 22.205 27.061 1.00 0.00 C ATOM 358 C ARG A 22 29.119 23.064 27.872 1.00 0.00 C ATOM 359 O ARG A 22 29.366 22.763 29.040 1.00 0.00 O ATOM 360 CB ARG A 22 28.828 21.020 26.339 1.00 0.00 C ATOM 361 CG ARG A 22 30.159 21.335 25.628 1.00 0.00 C ATOM 362 CD ARG A 22 31.401 21.047 26.486 1.00 0.00 C ATOM 363 NE ARG A 22 31.619 19.598 26.646 1.00 0.00 N ATOM 364 CZ ARG A 22 32.053 18.962 27.720 1.00 0.00 C ATOM 365 NH1 ARG A 22 32.279 19.533 28.866 1.00 0.00 N ATOM 366 NH2 ARG A 22 32.276 17.688 27.673 1.00 0.00 N ATOM 0 H ARG A 22 27.614 22.898 25.144 1.00 0.00 H new ATOM 0 HA ARG A 22 27.470 21.761 27.788 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.007 20.230 27.068 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.130 20.622 25.602 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.218 20.749 24.711 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.165 22.385 25.336 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.278 21.500 26.023 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.283 21.509 27.466 1.00 0.00 H new ATOM 0 HE ARG A 22 31.411 19.019 25.833 1.00 0.00 H new ATOM 0 HH11 ARG A 22 32.121 20.535 28.977 1.00 0.00 H new ATOM 0 HH12 ARG A 22 32.614 18.979 29.654 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.117 17.174 26.806 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.611 17.198 28.502 1.00 0.00 H new ATOM 380 N ILE A 23 29.611 24.158 27.284 1.00 0.00 N ATOM 381 CA ILE A 23 30.371 25.201 27.977 1.00 0.00 C ATOM 382 C ILE A 23 29.457 25.871 29.013 1.00 0.00 C ATOM 383 O ILE A 23 29.587 25.574 30.200 1.00 0.00 O ATOM 384 CB ILE A 23 31.054 26.150 26.954 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.245 25.402 26.306 1.00 0.00 C ATOM 386 CG2 ILE A 23 31.545 27.473 27.573 1.00 0.00 C ATOM 387 CD1 ILE A 23 32.836 26.095 25.069 1.00 0.00 C ATOM 0 H ILE A 23 29.489 24.347 26.289 1.00 0.00 H new ATOM 0 HA ILE A 23 31.206 24.786 28.542 1.00 0.00 H new ATOM 0 HB ILE A 23 30.304 26.422 26.211 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.032 25.284 27.051 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.919 24.401 26.025 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.011 28.085 26.801 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.699 28.011 28.001 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.273 27.260 28.356 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.664 25.502 24.681 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.067 26.189 24.303 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.197 27.086 25.345 1.00 0.00 H new ATOM 399 N PHE A 24 28.512 26.728 28.615 1.00 0.00 N ATOM 400 CA PHE A 24 27.689 27.515 29.546 1.00 0.00 C ATOM 401 C PHE A 24 26.196 27.273 29.288 1.00 0.00 C ATOM 402 O PHE A 24 25.651 27.724 28.284 1.00 0.00 O ATOM 403 CB PHE A 24 28.009 29.016 29.404 1.00 0.00 C ATOM 404 CG PHE A 24 29.228 29.618 30.093 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.362 28.860 30.443 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.253 31.009 30.311 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.529 29.482 30.903 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.417 31.631 30.796 1.00 0.00 C ATOM 409 CZ PHE A 24 31.566 30.872 31.049 1.00 0.00 C ATOM 0 H PHE A 24 28.293 26.898 27.633 1.00 0.00 H new ATOM 0 HA PHE A 24 27.923 27.195 30.561 1.00 0.00 H new ATOM 0 HB2 PHE A 24 28.107 29.224 28.339 1.00 0.00 H new ATOM 0 HB3 PHE A 24 27.136 29.565 29.757 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.331 27.784 30.355 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.374 31.601 30.105 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.399 28.889 31.145 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.425 32.696 30.974 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.479 31.359 31.356 1.00 0.00 H new ATOM 419 N SER A 25 25.515 26.619 30.234 1.00 0.00 N ATOM 420 CA SER A 25 24.053 26.442 30.200 1.00 0.00 C ATOM 421 C SER A 25 23.399 26.212 31.583 1.00 0.00 C ATOM 422 O SER A 25 22.475 26.952 31.914 1.00 0.00 O ATOM 423 CB SER A 25 23.721 25.324 29.204 1.00 0.00 C ATOM 424 OG SER A 25 22.338 25.084 29.127 1.00 0.00 O ATOM 0 H SER A 25 25.960 26.195 31.048 1.00 0.00 H new ATOM 0 HA SER A 25 23.614 27.383 29.868 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.098 25.593 28.217 1.00 0.00 H new ATOM 0 HB3 SER A 25 24.232 24.409 29.502 1.00 0.00 H new ATOM 0 HG SER A 25 22.166 24.362 28.487 1.00 0.00 H new ATOM 430 N PRO A 26 23.865 25.290 32.456 1.00 0.00 N ATOM 431 CA PRO A 26 23.171 24.950 33.714 1.00 0.00 C ATOM 432 C PRO A 26 23.483 25.878 34.906 1.00 0.00 C ATOM 433 O PRO A 26 23.109 25.581 36.037 1.00 0.00 O ATOM 434 CB PRO A 26 23.580 23.503 34.008 1.00 0.00 C ATOM 435 CG PRO A 26 25.009 23.467 33.478 1.00 0.00 C ATOM 436 CD PRO A 26 24.928 24.321 32.221 1.00 0.00 C ATOM 0 HA PRO A 26 22.096 25.079 33.585 1.00 0.00 H new ATOM 0 HB2 PRO A 26 23.533 23.273 35.073 1.00 0.00 H new ATOM 0 HB3 PRO A 26 22.937 22.785 33.499 1.00 0.00 H new ATOM 0 HG2 PRO A 26 25.717 23.875 34.199 1.00 0.00 H new ATOM 0 HG3 PRO A 26 25.332 22.450 33.255 1.00 0.00 H new ATOM 0 HD2 PRO A 26 25.877 24.823 32.029 1.00 0.00 H new ATOM 0 HD3 PRO A 26 24.709 23.708 31.347 1.00 0.00 H new ATOM 444 N TYR A 27 24.188 26.990 34.691 1.00 0.00 N ATOM 445 CA TYR A 27 24.679 27.892 35.746 1.00 0.00 C ATOM 446 C TYR A 27 23.634 28.937 36.201 1.00 0.00 C ATOM 447 O TYR A 27 23.990 29.950 36.803 1.00 0.00 O ATOM 448 CB TYR A 27 25.950 28.584 35.234 1.00 0.00 C ATOM 449 CG TYR A 27 27.194 27.732 35.067 1.00 0.00 C ATOM 450 CD1 TYR A 27 27.417 27.011 33.876 1.00 0.00 C ATOM 451 CD2 TYR A 27 28.180 27.738 36.074 1.00 0.00 C ATOM 452 CE1 TYR A 27 28.626 26.311 33.686 1.00 0.00 C ATOM 453 CE2 TYR A 27 29.388 27.044 35.885 1.00 0.00 C ATOM 454 CZ TYR A 27 29.624 26.339 34.687 1.00 0.00 C ATOM 455 OH TYR A 27 30.805 25.692 34.516 1.00 0.00 O ATOM 0 H TYR A 27 24.443 27.301 33.753 1.00 0.00 H new ATOM 0 HA TYR A 27 24.891 27.291 36.630 1.00 0.00 H new ATOM 0 HB2 TYR A 27 25.721 29.037 34.269 1.00 0.00 H new ATOM 0 HB3 TYR A 27 26.189 29.397 35.919 1.00 0.00 H new ATOM 0 HD1 TYR A 27 26.659 26.995 33.107 1.00 0.00 H new ATOM 0 HD2 TYR A 27 28.007 28.277 36.994 1.00 0.00 H new ATOM 0 HE1 TYR A 27 28.790 25.753 32.776 1.00 0.00 H new ATOM 0 HE2 TYR A 27 30.139 27.051 36.661 1.00 0.00 H new ATOM 0 HH TYR A 27 31.368 25.823 35.308 1.00 0.00 H new ATOM 465 N GLY A 28 22.351 28.769 35.871 1.00 0.00 N ATOM 466 CA GLY A 28 21.306 29.754 36.174 1.00 0.00 C ATOM 467 C GLY A 28 21.259 30.972 35.240 1.00 0.00 C ATOM 468 O GLY A 28 20.244 31.673 35.223 1.00 0.00 O ATOM 0 H GLY A 28 22.005 27.942 35.384 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.338 29.254 36.140 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.447 30.106 37.196 1.00 0.00 H new ATOM 472 N HIS A 29 22.302 31.227 34.444 1.00 0.00 N ATOM 473 CA HIS A 29 22.288 32.201 33.344 1.00 0.00 C ATOM 474 C HIS A 29 21.707 31.600 32.063 1.00 0.00 C ATOM 475 O HIS A 29 22.084 30.496 31.677 1.00 0.00 O ATOM 476 CB HIS A 29 23.690 32.781 33.109 1.00 0.00 C ATOM 477 CG HIS A 29 24.852 31.822 33.010 1.00 0.00 C ATOM 478 ND1 HIS A 29 25.973 31.897 33.819 1.00 0.00 N ATOM 479 CD2 HIS A 29 25.097 30.903 32.029 1.00 0.00 C ATOM 480 CE1 HIS A 29 26.886 31.075 33.295 1.00 0.00 C ATOM 481 NE2 HIS A 29 26.388 30.455 32.215 1.00 0.00 N ATOM 0 H HIS A 29 23.199 30.753 34.547 1.00 0.00 H new ATOM 0 HA HIS A 29 21.632 33.021 33.636 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.659 33.363 32.188 1.00 0.00 H new ATOM 0 HB3 HIS A 29 23.902 33.478 33.920 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.411 30.588 31.256 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.883 30.930 33.685 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.877 29.774 31.635 1.00 0.00 H new ATOM 489 N ILE A 30 20.806 32.324 31.388 1.00 0.00 N ATOM 490 CA ILE A 30 20.258 31.920 30.082 1.00 0.00 C ATOM 491 C ILE A 30 19.597 33.095 29.339 1.00 0.00 C ATOM 492 O ILE A 30 19.106 34.033 29.968 1.00 0.00 O ATOM 493 CB ILE A 30 19.273 30.727 30.259 1.00 0.00 C ATOM 494 CG1 ILE A 30 19.074 29.895 28.975 1.00 0.00 C ATOM 495 CG2 ILE A 30 17.903 31.159 30.812 1.00 0.00 C ATOM 496 CD1 ILE A 30 20.347 29.204 28.472 1.00 0.00 C ATOM 0 H ILE A 30 20.434 33.210 31.731 1.00 0.00 H new ATOM 0 HA ILE A 30 21.090 31.593 29.458 1.00 0.00 H new ATOM 0 HB ILE A 30 19.759 30.089 30.997 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.312 29.138 29.160 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.692 30.546 28.189 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.260 30.285 30.914 1.00 0.00 H new ATOM 0 HG22 ILE A 30 18.036 31.627 31.787 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.442 31.871 30.127 1.00 0.00 H new ATOM 0 HD11 ILE A 30 20.122 28.640 27.567 1.00 0.00 H new ATOM 0 HD12 ILE A 30 21.106 29.955 28.252 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.720 28.525 29.239 1.00 0.00 H new ATOM 508 N MET A 31 19.578 33.035 28.004 1.00 0.00 N ATOM 509 CA MET A 31 18.576 33.644 27.106 1.00 0.00 C ATOM 510 C MET A 31 18.667 32.971 25.723 1.00 0.00 C ATOM 511 O MET A 31 17.757 32.236 25.333 1.00 0.00 O ATOM 512 CB MET A 31 18.718 35.177 26.946 1.00 0.00 C ATOM 513 CG MET A 31 17.756 36.013 27.790 1.00 0.00 C ATOM 514 SD MET A 31 17.717 37.768 27.327 1.00 0.00 S ATOM 515 CE MET A 31 19.365 38.334 27.828 1.00 0.00 C ATOM 0 H MET A 31 20.299 32.533 27.486 1.00 0.00 H new ATOM 0 HA MET A 31 17.602 33.478 27.567 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.739 35.460 27.202 1.00 0.00 H new ATOM 0 HB3 MET A 31 18.570 35.432 25.897 1.00 0.00 H new ATOM 0 HG2 MET A 31 16.752 35.599 27.697 1.00 0.00 H new ATOM 0 HG3 MET A 31 18.040 35.929 28.839 1.00 0.00 H new ATOM 0 HE1 MET A 31 19.471 39.394 27.599 1.00 0.00 H new ATOM 0 HE2 MET A 31 19.493 38.180 28.899 1.00 0.00 H new ATOM 0 HE3 MET A 31 20.124 37.769 27.287 1.00 0.00 H new ATOM 525 N GLN A 32 19.778 33.186 25.006 1.00 0.00 N ATOM 526 CA GLN A 32 19.973 32.786 23.608 1.00 0.00 C ATOM 527 C GLN A 32 21.442 32.439 23.286 1.00 0.00 C ATOM 528 O GLN A 32 22.365 32.927 23.939 1.00 0.00 O ATOM 529 CB GLN A 32 19.464 33.949 22.729 1.00 0.00 C ATOM 530 CG GLN A 32 19.524 33.725 21.207 1.00 0.00 C ATOM 531 CD GLN A 32 18.761 32.498 20.719 1.00 0.00 C ATOM 532 OE1 GLN A 32 17.976 31.884 21.431 1.00 0.00 O ATOM 533 NE2 GLN A 32 18.979 32.069 19.504 1.00 0.00 N ATOM 0 H GLN A 32 20.592 33.659 25.397 1.00 0.00 H new ATOM 0 HA GLN A 32 19.414 31.872 23.408 1.00 0.00 H new ATOM 0 HB2 GLN A 32 18.431 34.160 23.004 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.046 34.839 22.968 1.00 0.00 H new ATOM 0 HG2 GLN A 32 19.126 34.608 20.706 1.00 0.00 H new ATOM 0 HG3 GLN A 32 20.568 33.632 20.907 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.629 32.567 18.896 1.00 0.00 H new ATOM 0 HE22 GLN A 32 18.499 31.236 19.163 1.00 0.00 H new ATOM 542 N ILE A 33 21.663 31.614 22.254 1.00 0.00 N ATOM 543 CA ILE A 33 22.994 31.282 21.712 1.00 0.00 C ATOM 544 C ILE A 33 23.030 31.458 20.186 1.00 0.00 C ATOM 545 O ILE A 33 22.043 31.153 19.510 1.00 0.00 O ATOM 546 CB ILE A 33 23.451 29.861 22.138 1.00 0.00 C ATOM 547 CG1 ILE A 33 22.651 28.722 21.459 1.00 0.00 C ATOM 548 CG2 ILE A 33 23.391 29.723 23.669 1.00 0.00 C ATOM 549 CD1 ILE A 33 23.065 27.310 21.896 1.00 0.00 C ATOM 0 H ILE A 33 20.905 31.146 21.758 1.00 0.00 H new ATOM 0 HA ILE A 33 23.708 31.985 22.141 1.00 0.00 H new ATOM 0 HB ILE A 33 24.480 29.752 21.796 1.00 0.00 H new ATOM 0 HG12 ILE A 33 21.591 28.860 21.674 1.00 0.00 H new ATOM 0 HG13 ILE A 33 22.770 28.805 20.379 1.00 0.00 H new ATOM 0 HG21 ILE A 33 23.714 28.722 23.957 1.00 0.00 H new ATOM 0 HG22 ILE A 33 24.048 30.462 24.127 1.00 0.00 H new ATOM 0 HG23 ILE A 33 22.368 29.887 24.009 1.00 0.00 H new ATOM 0 HD11 ILE A 33 22.455 26.574 21.373 1.00 0.00 H new ATOM 0 HD12 ILE A 33 24.116 27.148 21.655 1.00 0.00 H new ATOM 0 HD13 ILE A 33 22.919 27.204 22.971 1.00 0.00 H new ATOM 561 N ASN A 34 24.167 31.893 19.643 1.00 0.00 N ATOM 562 CA ASN A 34 24.466 31.899 18.210 1.00 0.00 C ATOM 563 C ASN A 34 25.907 31.416 17.931 1.00 0.00 C ATOM 564 O ASN A 34 26.764 31.430 18.817 1.00 0.00 O ATOM 565 CB ASN A 34 24.126 33.275 17.599 1.00 0.00 C ATOM 566 CG ASN A 34 25.098 34.394 17.932 1.00 0.00 C ATOM 567 OD1 ASN A 34 26.203 34.459 17.412 1.00 0.00 O ATOM 568 ND2 ASN A 34 24.712 35.337 18.760 1.00 0.00 N ATOM 0 H ASN A 34 24.932 32.264 20.207 1.00 0.00 H new ATOM 0 HA ASN A 34 23.827 31.176 17.704 1.00 0.00 H new ATOM 0 HB2 ASN A 34 24.077 33.170 16.515 1.00 0.00 H new ATOM 0 HB3 ASN A 34 23.132 33.568 17.937 1.00 0.00 H new ATOM 0 HD21 ASN A 34 25.333 36.119 18.967 1.00 0.00 H new ATOM 0 HD22 ASN A 34 23.791 35.287 19.196 1.00 0.00 H new ATOM 575 N ILE A 35 26.171 30.929 16.715 1.00 0.00 N ATOM 576 CA ILE A 35 27.462 30.312 16.356 1.00 0.00 C ATOM 577 C ILE A 35 27.931 30.670 14.939 1.00 0.00 C ATOM 578 O ILE A 35 27.120 31.024 14.078 1.00 0.00 O ATOM 579 CB ILE A 35 27.388 28.786 16.593 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.798 28.172 16.715 1.00 0.00 C ATOM 581 CG2 ILE A 35 26.543 28.070 15.523 1.00 0.00 C ATOM 582 CD1 ILE A 35 28.780 26.722 17.178 1.00 0.00 C ATOM 0 H ILE A 35 25.499 30.949 15.948 1.00 0.00 H new ATOM 0 HA ILE A 35 28.228 30.729 17.010 1.00 0.00 H new ATOM 0 HB ILE A 35 26.877 28.633 17.544 1.00 0.00 H new ATOM 0 HG12 ILE A 35 29.299 28.232 15.749 1.00 0.00 H new ATOM 0 HG13 ILE A 35 29.386 28.764 17.416 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.521 27.001 15.732 1.00 0.00 H new ATOM 0 HG22 ILE A 35 25.527 28.464 15.538 1.00 0.00 H new ATOM 0 HG23 ILE A 35 26.982 28.238 14.540 1.00 0.00 H new ATOM 0 HD11 ILE A 35 29.802 26.348 17.244 1.00 0.00 H new ATOM 0 HD12 ILE A 35 28.307 26.659 18.158 1.00 0.00 H new ATOM 0 HD13 ILE A 35 28.218 26.119 16.464 1.00 0.00 H new ATOM 594 N LYS A 36 29.238 30.527 14.698 1.00 0.00 N ATOM 595 CA LYS A 36 29.934 30.682 13.417 1.00 0.00 C ATOM 596 C LYS A 36 30.895 29.506 13.167 1.00 0.00 C ATOM 597 O LYS A 36 31.184 28.737 14.076 1.00 0.00 O ATOM 598 CB LYS A 36 30.670 32.037 13.454 1.00 0.00 C ATOM 599 CG LYS A 36 30.696 32.776 12.108 1.00 0.00 C ATOM 600 CD LYS A 36 29.303 33.153 11.574 1.00 0.00 C ATOM 601 CE LYS A 36 28.535 34.024 12.569 1.00 0.00 C ATOM 602 NZ LYS A 36 27.151 34.253 12.129 1.00 0.00 N ATOM 0 H LYS A 36 29.884 30.282 15.448 1.00 0.00 H new ATOM 0 HA LYS A 36 29.227 30.672 12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 36 30.194 32.676 14.198 1.00 0.00 H new ATOM 0 HB3 LYS A 36 31.695 31.872 13.785 1.00 0.00 H new ATOM 0 HG2 LYS A 36 31.291 33.683 12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 36 31.199 32.150 11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.407 33.685 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 36 28.734 32.246 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 36 28.532 33.544 13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 36 29.044 34.981 12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 26.659 34.847 12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 27.155 34.733 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 26.659 33.341 12.042 1.00 0.00 H new ATOM 616 N ASN A 37 31.416 29.352 11.951 1.00 0.00 N ATOM 617 CA ASN A 37 32.207 28.182 11.533 1.00 0.00 C ATOM 618 C ASN A 37 33.519 27.912 12.327 1.00 0.00 C ATOM 619 O ASN A 37 34.051 26.797 12.253 1.00 0.00 O ATOM 620 CB ASN A 37 32.448 28.340 10.022 1.00 0.00 C ATOM 621 CG ASN A 37 33.290 27.228 9.430 1.00 0.00 C ATOM 622 OD1 ASN A 37 34.444 27.438 9.095 1.00 0.00 O ATOM 623 ND2 ASN A 37 32.764 26.036 9.291 1.00 0.00 N ATOM 0 H ASN A 37 31.302 30.045 11.211 1.00 0.00 H new ATOM 0 HA ASN A 37 31.634 27.285 11.767 1.00 0.00 H new ATOM 0 HB2 ASN A 37 31.487 28.371 9.509 1.00 0.00 H new ATOM 0 HB3 ASN A 37 32.939 29.296 9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 37 33.320 25.276 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 37 31.798 25.869 9.574 1.00 0.00 H new ATOM 630 N ALA A 38 34.046 28.877 13.090 1.00 0.00 N ATOM 631 CA ALA A 38 35.248 28.715 13.924 1.00 0.00 C ATOM 632 C ALA A 38 35.103 29.143 15.406 1.00 0.00 C ATOM 633 O ALA A 38 36.010 28.879 16.202 1.00 0.00 O ATOM 634 CB ALA A 38 36.388 29.483 13.240 1.00 0.00 C ATOM 0 H ALA A 38 33.642 29.812 13.148 1.00 0.00 H new ATOM 0 HA ALA A 38 35.450 27.646 13.991 1.00 0.00 H new ATOM 0 HB1 ALA A 38 37.298 29.386 13.831 1.00 0.00 H new ATOM 0 HB2 ALA A 38 36.557 29.073 12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 38 36.119 30.536 13.158 1.00 0.00 H new ATOM 640 N PHE A 39 34.003 29.806 15.783 1.00 0.00 N ATOM 641 CA PHE A 39 33.776 30.434 17.101 1.00 0.00 C ATOM 642 C PHE A 39 32.270 30.676 17.351 1.00 0.00 C ATOM 643 O PHE A 39 31.442 30.323 16.517 1.00 0.00 O ATOM 644 CB PHE A 39 34.588 31.743 17.184 1.00 0.00 C ATOM 645 CG PHE A 39 34.487 32.672 15.986 1.00 0.00 C ATOM 646 CD1 PHE A 39 33.308 33.401 15.739 1.00 0.00 C ATOM 647 CD2 PHE A 39 35.588 32.816 15.118 1.00 0.00 C ATOM 648 CE1 PHE A 39 33.227 34.252 14.625 1.00 0.00 C ATOM 649 CE2 PHE A 39 35.510 33.681 14.012 1.00 0.00 C ATOM 650 CZ PHE A 39 34.328 34.396 13.763 1.00 0.00 C ATOM 0 H PHE A 39 33.209 29.928 15.154 1.00 0.00 H new ATOM 0 HA PHE A 39 34.118 29.760 17.887 1.00 0.00 H new ATOM 0 HB2 PHE A 39 34.266 32.290 18.070 1.00 0.00 H new ATOM 0 HB3 PHE A 39 35.637 31.487 17.331 1.00 0.00 H new ATOM 0 HD1 PHE A 39 32.465 33.306 16.407 1.00 0.00 H new ATOM 0 HD2 PHE A 39 36.495 32.260 15.303 1.00 0.00 H new ATOM 0 HE1 PHE A 39 32.316 34.798 14.430 1.00 0.00 H new ATOM 0 HE2 PHE A 39 36.359 33.795 13.354 1.00 0.00 H new ATOM 0 HZ PHE A 39 34.265 35.056 12.910 1.00 0.00 H new ATOM 660 N GLY A 40 31.882 31.281 18.481 1.00 0.00 N ATOM 661 CA GLY A 40 30.470 31.565 18.771 1.00 0.00 C ATOM 662 C GLY A 40 30.224 32.644 19.828 1.00 0.00 C ATOM 663 O GLY A 40 31.151 33.070 20.524 1.00 0.00 O ATOM 0 H GLY A 40 32.527 31.584 19.211 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.980 31.868 17.846 1.00 0.00 H new ATOM 0 HA3 GLY A 40 29.991 30.643 19.099 1.00 0.00 H new ATOM 667 N PHE A 41 28.958 33.053 19.955 1.00 0.00 N ATOM 668 CA PHE A 41 28.480 34.046 20.921 1.00 0.00 C ATOM 669 C PHE A 41 27.250 33.550 21.688 1.00 0.00 C ATOM 670 O PHE A 41 26.226 33.162 21.130 1.00 0.00 O ATOM 671 CB PHE A 41 28.167 35.378 20.222 1.00 0.00 C ATOM 672 CG PHE A 41 29.352 36.306 20.096 1.00 0.00 C ATOM 673 CD1 PHE A 41 30.224 36.198 18.997 1.00 0.00 C ATOM 674 CD2 PHE A 41 29.589 37.275 21.090 1.00 0.00 C ATOM 675 CE1 PHE A 41 31.326 37.062 18.890 1.00 0.00 C ATOM 676 CE2 PHE A 41 30.697 38.133 20.987 1.00 0.00 C ATOM 677 CZ PHE A 41 31.566 38.022 19.887 1.00 0.00 C ATOM 0 H PHE A 41 28.210 32.688 19.365 1.00 0.00 H new ATOM 0 HA PHE A 41 29.281 34.204 21.643 1.00 0.00 H new ATOM 0 HB2 PHE A 41 27.776 35.169 19.226 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.378 35.888 20.774 1.00 0.00 H new ATOM 0 HD1 PHE A 41 30.046 35.452 18.237 1.00 0.00 H new ATOM 0 HD2 PHE A 41 28.918 37.359 21.932 1.00 0.00 H new ATOM 0 HE1 PHE A 41 31.989 36.988 18.041 1.00 0.00 H new ATOM 0 HE2 PHE A 41 30.881 38.875 21.750 1.00 0.00 H new ATOM 0 HZ PHE A 41 32.421 38.677 19.808 1.00 0.00 H new ATOM 687 N ILE A 42 27.339 33.632 23.007 1.00 0.00 N ATOM 688 CA ILE A 42 26.241 33.438 23.949 1.00 0.00 C ATOM 689 C ILE A 42 25.691 34.812 24.346 1.00 0.00 C ATOM 690 O ILE A 42 26.458 35.743 24.574 1.00 0.00 O ATOM 691 CB ILE A 42 26.786 32.598 25.124 1.00 0.00 C ATOM 692 CG1 ILE A 42 26.565 31.099 24.854 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.174 32.983 26.475 1.00 0.00 C ATOM 694 CD1 ILE A 42 27.611 30.224 25.546 1.00 0.00 C ATOM 0 H ILE A 42 28.220 33.846 23.474 1.00 0.00 H new ATOM 0 HA ILE A 42 25.399 32.890 23.526 1.00 0.00 H new ATOM 0 HB ILE A 42 27.853 32.811 25.189 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.571 30.813 25.197 1.00 0.00 H new ATOM 0 HG13 ILE A 42 26.596 30.917 23.780 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.599 32.356 27.259 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.393 34.029 26.689 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.094 32.838 26.440 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.412 29.175 25.325 1.00 0.00 H new ATOM 0 HD12 ILE A 42 28.604 30.489 25.184 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.563 30.383 26.623 1.00 0.00 H new ATOM 706 N GLN A 43 24.371 34.939 24.457 1.00 0.00 N ATOM 707 CA GLN A 43 23.665 36.181 24.779 1.00 0.00 C ATOM 708 C GLN A 43 22.672 35.875 25.918 1.00 0.00 C ATOM 709 O GLN A 43 21.584 35.360 25.664 1.00 0.00 O ATOM 710 CB GLN A 43 22.949 36.677 23.505 1.00 0.00 C ATOM 711 CG GLN A 43 23.821 36.941 22.256 1.00 0.00 C ATOM 712 CD GLN A 43 24.803 38.106 22.363 1.00 0.00 C ATOM 713 OE1 GLN A 43 25.986 38.002 22.064 1.00 0.00 O ATOM 714 NE2 GLN A 43 24.354 39.289 22.714 1.00 0.00 N ATOM 0 H GLN A 43 23.738 34.151 24.320 1.00 0.00 H new ATOM 0 HA GLN A 43 24.343 36.967 25.111 1.00 0.00 H new ATOM 0 HB2 GLN A 43 22.191 35.942 23.237 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.425 37.600 23.751 1.00 0.00 H new ATOM 0 HG2 GLN A 43 24.385 36.035 22.032 1.00 0.00 H new ATOM 0 HG3 GLN A 43 23.161 37.124 21.408 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.373 39.407 22.969 1.00 0.00 H new ATOM 0 HE22 GLN A 43 24.986 40.090 22.732 1.00 0.00 H new ATOM 723 N PHE A 44 23.065 36.094 27.179 1.00 0.00 N ATOM 724 CA PHE A 44 22.424 35.543 28.389 1.00 0.00 C ATOM 725 C PHE A 44 22.055 36.603 29.436 1.00 0.00 C ATOM 726 O PHE A 44 22.696 37.643 29.561 1.00 0.00 O ATOM 727 CB PHE A 44 23.335 34.492 29.050 1.00 0.00 C ATOM 728 CG PHE A 44 23.419 33.097 28.448 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.655 32.680 27.339 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.306 32.182 29.040 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.784 31.380 26.825 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.427 30.875 28.533 1.00 0.00 C ATOM 733 CZ PHE A 44 23.671 30.473 27.423 1.00 0.00 C ATOM 0 H PHE A 44 23.869 36.682 27.397 1.00 0.00 H new ATOM 0 HA PHE A 44 21.494 35.091 28.044 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.345 34.901 29.072 1.00 0.00 H new ATOM 0 HB3 PHE A 44 23.013 34.383 30.086 1.00 0.00 H new ATOM 0 HD1 PHE A 44 21.962 33.369 26.879 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.899 32.484 29.890 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.200 31.078 25.968 1.00 0.00 H new ATOM 0 HE2 PHE A 44 25.106 30.178 29.001 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.771 29.472 27.031 1.00 0.00 H new ATOM 743 N ASP A 45 21.051 36.307 30.258 1.00 0.00 N ATOM 744 CA ASP A 45 20.802 37.026 31.513 1.00 0.00 C ATOM 745 C ASP A 45 21.809 36.606 32.613 1.00 0.00 C ATOM 746 O ASP A 45 22.412 35.539 32.517 1.00 0.00 O ATOM 747 CB ASP A 45 19.337 36.784 31.909 1.00 0.00 C ATOM 748 CG ASP A 45 18.767 37.866 32.818 1.00 0.00 C ATOM 749 OD1 ASP A 45 19.532 38.615 33.454 1.00 0.00 O ATOM 750 OD2 ASP A 45 17.526 38.014 32.880 1.00 0.00 O ATOM 0 H ASP A 45 20.382 35.559 30.075 1.00 0.00 H new ATOM 0 HA ASP A 45 20.958 38.097 31.382 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.730 36.722 31.006 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.259 35.820 32.412 1.00 0.00 H new ATOM 755 N ASN A 46 21.956 37.413 33.671 1.00 0.00 N ATOM 756 CA ASN A 46 22.864 37.250 34.816 1.00 0.00 C ATOM 757 C ASN A 46 24.381 37.244 34.476 1.00 0.00 C ATOM 758 O ASN A 46 25.023 36.189 34.530 1.00 0.00 O ATOM 759 CB ASN A 46 22.409 36.048 35.666 1.00 0.00 C ATOM 760 CG ASN A 46 23.174 35.905 36.970 1.00 0.00 C ATOM 761 OD1 ASN A 46 24.087 36.652 37.304 1.00 0.00 O ATOM 762 ND2 ASN A 46 22.815 34.942 37.777 1.00 0.00 N ATOM 0 H ASN A 46 21.400 38.264 33.756 1.00 0.00 H new ATOM 0 HA ASN A 46 22.779 38.156 35.416 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.346 36.150 35.886 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.527 35.135 35.083 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.293 34.820 38.670 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.057 34.312 37.514 1.00 0.00 H new ATOM 769 N PRO A 47 25.009 38.421 34.241 1.00 0.00 N ATOM 770 CA PRO A 47 26.459 38.527 34.018 1.00 0.00 C ATOM 771 C PRO A 47 27.327 37.948 35.148 1.00 0.00 C ATOM 772 O PRO A 47 28.465 37.564 34.900 1.00 0.00 O ATOM 773 CB PRO A 47 26.758 40.027 33.861 1.00 0.00 C ATOM 774 CG PRO A 47 25.551 40.725 34.483 1.00 0.00 C ATOM 775 CD PRO A 47 24.408 39.750 34.213 1.00 0.00 C ATOM 0 HA PRO A 47 26.714 37.936 33.138 1.00 0.00 H new ATOM 0 HB2 PRO A 47 27.682 40.303 34.370 1.00 0.00 H new ATOM 0 HB3 PRO A 47 26.878 40.300 32.813 1.00 0.00 H new ATOM 0 HG2 PRO A 47 25.691 40.896 35.550 1.00 0.00 H new ATOM 0 HG3 PRO A 47 25.368 41.697 34.025 1.00 0.00 H new ATOM 0 HD2 PRO A 47 23.627 39.843 34.968 1.00 0.00 H new ATOM 0 HD3 PRO A 47 23.943 39.949 33.248 1.00 0.00 H new ATOM 783 N GLN A 48 26.822 37.860 36.384 1.00 0.00 N ATOM 784 CA GLN A 48 27.614 37.426 37.543 1.00 0.00 C ATOM 785 C GLN A 48 27.815 35.908 37.581 1.00 0.00 C ATOM 786 O GLN A 48 28.904 35.442 37.928 1.00 0.00 O ATOM 787 CB GLN A 48 26.939 37.879 38.837 1.00 0.00 C ATOM 788 CG GLN A 48 26.707 39.392 38.906 1.00 0.00 C ATOM 789 CD GLN A 48 25.951 39.803 40.159 1.00 0.00 C ATOM 790 OE1 GLN A 48 25.372 38.990 40.875 1.00 0.00 O ATOM 791 NE2 GLN A 48 25.893 41.079 40.440 1.00 0.00 N ATOM 0 H GLN A 48 25.854 38.087 36.610 1.00 0.00 H new ATOM 0 HA GLN A 48 28.597 37.888 37.447 1.00 0.00 H new ATOM 0 HB2 GLN A 48 25.982 37.367 38.937 1.00 0.00 H new ATOM 0 HB3 GLN A 48 27.553 37.574 39.684 1.00 0.00 H new ATOM 0 HG2 GLN A 48 27.668 39.906 38.879 1.00 0.00 H new ATOM 0 HG3 GLN A 48 26.149 39.712 38.026 1.00 0.00 H new ATOM 0 HE21 GLN A 48 26.374 41.754 39.846 1.00 0.00 H new ATOM 0 HE22 GLN A 48 25.367 41.399 41.253 1.00 0.00 H new ATOM 800 N SER A 49 26.797 35.135 37.182 1.00 0.00 N ATOM 801 CA SER A 49 26.958 33.698 36.924 1.00 0.00 C ATOM 802 C SER A 49 27.787 33.454 35.655 1.00 0.00 C ATOM 803 O SER A 49 28.596 32.527 35.623 1.00 0.00 O ATOM 804 CB SER A 49 25.601 32.990 36.845 1.00 0.00 C ATOM 805 OG SER A 49 25.014 32.890 38.135 1.00 0.00 O ATOM 0 H SER A 49 25.850 35.482 37.030 1.00 0.00 H new ATOM 0 HA SER A 49 27.503 33.270 37.765 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.936 33.539 36.178 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.728 31.995 36.419 1.00 0.00 H new ATOM 0 HG SER A 49 24.148 32.437 38.066 1.00 0.00 H new ATOM 811 N VAL A 50 27.689 34.328 34.642 1.00 0.00 N ATOM 812 CA VAL A 50 28.527 34.233 33.431 1.00 0.00 C ATOM 813 C VAL A 50 30.005 34.464 33.779 1.00 0.00 C ATOM 814 O VAL A 50 30.846 33.655 33.389 1.00 0.00 O ATOM 815 CB VAL A 50 28.006 35.158 32.311 1.00 0.00 C ATOM 816 CG1 VAL A 50 28.859 35.088 31.042 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.591 34.766 31.866 1.00 0.00 C ATOM 0 H VAL A 50 27.036 35.112 34.635 1.00 0.00 H new ATOM 0 HA VAL A 50 28.456 33.221 33.032 1.00 0.00 H new ATOM 0 HB VAL A 50 28.036 36.157 32.747 1.00 0.00 H new ATOM 0 HG11 VAL A 50 28.446 35.759 30.289 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.881 35.388 31.274 1.00 0.00 H new ATOM 0 HG13 VAL A 50 28.858 34.068 30.659 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.258 35.440 31.076 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.598 33.743 31.491 1.00 0.00 H new ATOM 0 HG23 VAL A 50 25.910 34.837 32.714 1.00 0.00 H new ATOM 827 N ARG A 51 30.331 35.472 34.604 1.00 0.00 N ATOM 828 CA ARG A 51 31.667 35.642 35.208 1.00 0.00 C ATOM 829 C ARG A 51 32.066 34.420 36.032 1.00 0.00 C ATOM 830 O ARG A 51 33.168 33.916 35.836 1.00 0.00 O ATOM 831 CB ARG A 51 31.713 36.929 36.061 1.00 0.00 C ATOM 832 CG ARG A 51 33.011 37.117 36.879 1.00 0.00 C ATOM 833 CD ARG A 51 34.268 37.291 36.013 1.00 0.00 C ATOM 834 NE ARG A 51 35.491 37.314 36.841 1.00 0.00 N ATOM 835 CZ ARG A 51 36.658 37.852 36.532 1.00 0.00 C ATOM 836 NH1 ARG A 51 36.861 38.510 35.431 1.00 0.00 N ATOM 837 NH2 ARG A 51 37.666 37.728 37.342 1.00 0.00 N ATOM 0 H ARG A 51 29.670 36.200 34.874 1.00 0.00 H new ATOM 0 HA ARG A 51 32.393 35.739 34.401 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.587 37.789 35.403 1.00 0.00 H new ATOM 0 HB3 ARG A 51 30.865 36.925 36.746 1.00 0.00 H new ATOM 0 HG2 ARG A 51 32.901 37.990 37.523 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.147 36.254 37.531 1.00 0.00 H new ATOM 0 HD2 ARG A 51 34.330 36.477 35.291 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.194 38.217 35.443 1.00 0.00 H new ATOM 0 HE ARG A 51 35.428 36.864 37.754 1.00 0.00 H new ATOM 0 HH11 ARG A 51 36.101 38.629 34.761 1.00 0.00 H new ATOM 0 HH12 ARG A 51 37.780 38.907 35.236 1.00 0.00 H new ATOM 0 HH21 ARG A 51 37.557 37.215 38.217 1.00 0.00 H new ATOM 0 HH22 ARG A 51 38.566 38.143 37.103 1.00 0.00 H new ATOM 851 N ASP A 52 31.182 33.928 36.907 1.00 0.00 N ATOM 852 CA ASP A 52 31.444 32.766 37.770 1.00 0.00 C ATOM 853 C ASP A 52 31.837 31.512 36.982 1.00 0.00 C ATOM 854 O ASP A 52 32.658 30.731 37.460 1.00 0.00 O ATOM 855 CB ASP A 52 30.219 32.433 38.639 1.00 0.00 C ATOM 856 CG ASP A 52 30.518 31.260 39.572 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.445 31.406 40.406 1.00 0.00 O ATOM 858 OD2 ASP A 52 29.881 30.189 39.465 1.00 0.00 O ATOM 0 H ASP A 52 30.253 34.329 37.039 1.00 0.00 H new ATOM 0 HA ASP A 52 32.286 33.053 38.399 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.935 33.307 39.226 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.370 32.188 38.000 1.00 0.00 H new ATOM 863 N ALA A 53 31.284 31.337 35.781 1.00 0.00 N ATOM 864 CA ALA A 53 31.590 30.218 34.908 1.00 0.00 C ATOM 865 C ALA A 53 32.900 30.405 34.111 1.00 0.00 C ATOM 866 O ALA A 53 33.565 29.413 33.821 1.00 0.00 O ATOM 867 CB ALA A 53 30.366 29.964 34.033 1.00 0.00 C ATOM 0 H ALA A 53 30.600 31.983 35.387 1.00 0.00 H new ATOM 0 HA ALA A 53 31.792 29.329 35.506 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.565 29.127 33.364 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.510 29.728 34.665 1.00 0.00 H new ATOM 0 HB3 ALA A 53 30.148 30.855 33.444 1.00 0.00 H new ATOM 873 N ILE A 54 33.352 31.635 33.813 1.00 0.00 N ATOM 874 CA ILE A 54 34.655 31.870 33.142 1.00 0.00 C ATOM 875 C ILE A 54 35.798 31.366 34.024 1.00 0.00 C ATOM 876 O ILE A 54 36.613 30.549 33.592 1.00 0.00 O ATOM 877 CB ILE A 54 34.849 33.362 32.767 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.868 33.730 31.636 1.00 0.00 C ATOM 879 CG2 ILE A 54 36.295 33.678 32.333 1.00 0.00 C ATOM 880 CD1 ILE A 54 33.934 35.189 31.189 1.00 0.00 C ATOM 0 H ILE A 54 32.836 32.489 34.025 1.00 0.00 H new ATOM 0 HA ILE A 54 34.661 31.307 32.208 1.00 0.00 H new ATOM 0 HB ILE A 54 34.646 33.959 33.656 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.068 33.091 30.776 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.853 33.510 31.967 1.00 0.00 H new ATOM 0 HG21 ILE A 54 36.376 34.735 32.081 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.979 33.446 33.149 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.553 33.077 31.461 1.00 0.00 H new ATOM 0 HD11 ILE A 54 33.211 35.358 30.391 1.00 0.00 H new ATOM 0 HD12 ILE A 54 33.702 35.839 32.033 1.00 0.00 H new ATOM 0 HD13 ILE A 54 34.936 35.413 30.824 1.00 0.00 H new ATOM 892 N GLU A 55 35.798 31.774 35.289 1.00 0.00 N ATOM 893 CA GLU A 55 36.738 31.319 36.322 1.00 0.00 C ATOM 894 C GLU A 55 36.537 29.842 36.735 1.00 0.00 C ATOM 895 O GLU A 55 37.314 29.322 37.537 1.00 0.00 O ATOM 896 CB GLU A 55 36.648 32.269 37.533 1.00 0.00 C ATOM 897 CG GLU A 55 35.228 32.263 38.108 1.00 0.00 C ATOM 898 CD GLU A 55 35.033 33.137 39.338 1.00 0.00 C ATOM 899 OE1 GLU A 55 35.352 34.345 39.310 1.00 0.00 O ATOM 900 OE2 GLU A 55 34.501 32.605 40.343 1.00 0.00 O ATOM 0 H GLU A 55 35.123 32.453 35.641 1.00 0.00 H new ATOM 0 HA GLU A 55 37.742 31.354 35.899 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.359 31.961 38.299 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.922 33.280 37.232 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.536 32.592 37.333 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.958 31.238 38.362 1.00 0.00 H new ATOM 907 N CYS A 56 35.516 29.154 36.207 1.00 0.00 N ATOM 908 CA CYS A 56 35.281 27.714 36.374 1.00 0.00 C ATOM 909 C CYS A 56 35.551 26.886 35.102 1.00 0.00 C ATOM 910 O CYS A 56 35.524 25.658 35.176 1.00 0.00 O ATOM 911 CB CYS A 56 33.842 27.481 36.853 1.00 0.00 C ATOM 912 SG CYS A 56 33.621 28.035 38.565 1.00 0.00 S ATOM 0 H CYS A 56 34.804 29.602 35.630 1.00 0.00 H new ATOM 0 HA CYS A 56 35.997 27.367 37.119 1.00 0.00 H new ATOM 0 HB2 CYS A 56 33.149 28.015 36.203 1.00 0.00 H new ATOM 0 HB3 CYS A 56 33.598 26.421 36.777 1.00 0.00 H new ATOM 0 HG CYS A 56 33.181 29.258 38.572 1.00 0.00 H new ATOM 918 N GLU A 57 35.804 27.521 33.952 1.00 0.00 N ATOM 919 CA GLU A 57 35.890 26.844 32.648 1.00 0.00 C ATOM 920 C GLU A 57 37.064 27.349 31.797 1.00 0.00 C ATOM 921 O GLU A 57 37.947 26.570 31.445 1.00 0.00 O ATOM 922 CB GLU A 57 34.547 27.020 31.917 1.00 0.00 C ATOM 923 CG GLU A 57 34.410 26.176 30.646 1.00 0.00 C ATOM 924 CD GLU A 57 34.057 24.712 30.933 1.00 0.00 C ATOM 925 OE1 GLU A 57 34.701 24.067 31.790 1.00 0.00 O ATOM 926 OE2 GLU A 57 33.109 24.178 30.311 1.00 0.00 O ATOM 0 H GLU A 57 35.957 28.528 33.897 1.00 0.00 H new ATOM 0 HA GLU A 57 36.085 25.785 32.816 1.00 0.00 H new ATOM 0 HB2 GLU A 57 33.738 26.762 32.600 1.00 0.00 H new ATOM 0 HB3 GLU A 57 34.422 28.071 31.657 1.00 0.00 H new ATOM 0 HG2 GLU A 57 33.640 26.611 30.009 1.00 0.00 H new ATOM 0 HG3 GLU A 57 35.345 26.216 30.088 1.00 0.00 H new ATOM 933 N SER A 58 37.156 28.660 31.537 1.00 0.00 N ATOM 934 CA SER A 58 38.298 29.254 30.816 1.00 0.00 C ATOM 935 C SER A 58 39.610 29.127 31.593 1.00 0.00 C ATOM 936 O SER A 58 40.684 29.202 30.999 1.00 0.00 O ATOM 937 CB SER A 58 38.052 30.737 30.526 1.00 0.00 C ATOM 938 OG SER A 58 38.806 31.150 29.400 1.00 0.00 O ATOM 0 H SER A 58 36.447 29.338 31.817 1.00 0.00 H new ATOM 0 HA SER A 58 38.387 28.696 29.884 1.00 0.00 H new ATOM 0 HB2 SER A 58 36.991 30.908 30.344 1.00 0.00 H new ATOM 0 HB3 SER A 58 38.327 31.335 31.395 1.00 0.00 H new ATOM 0 HG SER A 58 39.690 30.727 29.425 1.00 0.00 H new ATOM 944 N GLN A 59 39.517 28.927 32.911 1.00 0.00 N ATOM 945 CA GLN A 59 40.636 28.688 33.821 1.00 0.00 C ATOM 946 C GLN A 59 40.629 27.263 34.419 1.00 0.00 C ATOM 947 O GLN A 59 41.364 26.978 35.365 1.00 0.00 O ATOM 948 CB GLN A 59 40.650 29.815 34.869 1.00 0.00 C ATOM 949 CG GLN A 59 42.034 30.004 35.502 1.00 0.00 C ATOM 950 CD GLN A 59 42.073 31.194 36.446 1.00 0.00 C ATOM 951 OE1 GLN A 59 42.650 32.233 36.146 1.00 0.00 O ATOM 952 NE2 GLN A 59 41.480 31.075 37.609 1.00 0.00 N ATOM 0 H GLN A 59 38.618 28.928 33.392 1.00 0.00 H new ATOM 0 HA GLN A 59 41.576 28.721 33.271 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.337 30.748 34.400 1.00 0.00 H new ATOM 0 HB3 GLN A 59 39.923 29.591 35.650 1.00 0.00 H new ATOM 0 HG2 GLN A 59 42.310 29.101 36.046 1.00 0.00 H new ATOM 0 HG3 GLN A 59 42.776 30.141 34.716 1.00 0.00 H new ATOM 0 HE21 GLN A 59 41.002 30.207 37.851 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.497 31.850 38.272 1.00 0.00 H new ATOM 1097 N ILE A 68 39.011 30.135 25.473 1.00 0.00 N ATOM 1098 CA ILE A 68 39.141 31.587 25.639 1.00 0.00 C ATOM 1099 C ILE A 68 37.729 32.147 25.794 1.00 0.00 C ATOM 1100 O ILE A 68 36.985 32.178 24.815 1.00 0.00 O ATOM 1101 CB ILE A 68 39.868 32.231 24.435 1.00 0.00 C ATOM 1102 CG1 ILE A 68 41.258 31.606 24.192 1.00 0.00 C ATOM 1103 CG2 ILE A 68 40.002 33.747 24.664 1.00 0.00 C ATOM 1104 CD1 ILE A 68 41.961 32.170 22.955 1.00 0.00 C ATOM 0 HA ILE A 68 39.745 31.817 26.517 1.00 0.00 H new ATOM 0 HB ILE A 68 39.269 32.042 23.544 1.00 0.00 H new ATOM 0 HG12 ILE A 68 41.884 31.776 25.068 1.00 0.00 H new ATOM 0 HG13 ILE A 68 41.150 30.527 24.081 1.00 0.00 H new ATOM 0 HG21 ILE A 68 40.514 34.199 23.815 1.00 0.00 H new ATOM 0 HG22 ILE A 68 39.011 34.188 24.767 1.00 0.00 H new ATOM 0 HG23 ILE A 68 40.576 33.928 25.573 1.00 0.00 H new ATOM 0 HD11 ILE A 68 42.933 31.691 22.839 1.00 0.00 H new ATOM 0 HD12 ILE A 68 41.353 31.977 22.071 1.00 0.00 H new ATOM 0 HD13 ILE A 68 42.098 33.245 23.073 1.00 0.00 H new ATOM 1116 N LEU A 69 37.350 32.548 27.009 1.00 0.00 N ATOM 1117 CA LEU A 69 36.010 33.061 27.313 1.00 0.00 C ATOM 1118 C LEU A 69 36.084 34.500 27.850 1.00 0.00 C ATOM 1119 O LEU A 69 36.887 34.788 28.741 1.00 0.00 O ATOM 1120 CB LEU A 69 35.287 32.127 28.306 1.00 0.00 C ATOM 1121 CG LEU A 69 35.328 30.613 28.008 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.567 29.845 29.091 1.00 0.00 C ATOM 1123 CD2 LEU A 69 34.672 30.245 26.681 1.00 0.00 C ATOM 0 H LEU A 69 37.970 32.526 27.819 1.00 0.00 H new ATOM 0 HA LEU A 69 35.430 33.084 26.390 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.716 32.288 29.295 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.242 32.433 28.358 1.00 0.00 H new ATOM 0 HG LEU A 69 36.385 30.350 27.974 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.601 28.778 28.872 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.028 30.032 30.061 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.529 30.178 29.112 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.734 29.167 26.531 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.626 30.550 26.696 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.187 30.755 25.867 1.00 0.00 H new ATOM 1135 N GLU A 70 35.230 35.390 27.343 1.00 0.00 N ATOM 1136 CA GLU A 70 35.113 36.789 27.794 1.00 0.00 C ATOM 1137 C GLU A 70 33.642 37.185 27.982 1.00 0.00 C ATOM 1138 O GLU A 70 32.838 36.988 27.071 1.00 0.00 O ATOM 1139 CB GLU A 70 35.792 37.718 26.770 1.00 0.00 C ATOM 1140 CG GLU A 70 35.730 39.224 27.101 1.00 0.00 C ATOM 1141 CD GLU A 70 36.770 39.692 28.126 1.00 0.00 C ATOM 1142 OE1 GLU A 70 37.113 38.941 29.067 1.00 0.00 O ATOM 1143 OE2 GLU A 70 37.305 40.819 27.992 1.00 0.00 O ATOM 0 H GLU A 70 34.583 35.159 26.589 1.00 0.00 H new ATOM 0 HA GLU A 70 35.611 36.889 28.758 1.00 0.00 H new ATOM 0 HB2 GLU A 70 36.838 37.426 26.678 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.329 37.558 25.796 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.865 39.792 26.180 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.735 39.460 27.478 1.00 0.00 H new ATOM 1150 N VAL A 71 33.296 37.780 29.131 1.00 0.00 N ATOM 1151 CA VAL A 71 31.957 38.345 29.396 1.00 0.00 C ATOM 1152 C VAL A 71 31.917 39.857 29.158 1.00 0.00 C ATOM 1153 O VAL A 71 32.875 40.572 29.467 1.00 0.00 O ATOM 1154 CB VAL A 71 31.414 37.948 30.785 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.273 38.451 31.945 1.00 0.00 C ATOM 1156 CG2 VAL A 71 29.972 38.413 31.032 1.00 0.00 C ATOM 0 H VAL A 71 33.941 37.886 29.914 1.00 0.00 H new ATOM 0 HA VAL A 71 31.278 37.898 28.670 1.00 0.00 H new ATOM 0 HB VAL A 71 31.445 36.859 30.761 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.830 38.134 32.889 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.278 38.038 31.859 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.324 39.539 31.915 1.00 0.00 H new ATOM 0 HG21 VAL A 71 29.654 38.100 32.027 1.00 0.00 H new ATOM 0 HG22 VAL A 71 29.923 39.500 30.960 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.314 37.970 30.285 1.00 0.00 H new ATOM 1166 N SER A 72 30.794 40.348 28.634 1.00 0.00 N ATOM 1167 CA SER A 72 30.469 41.769 28.461 1.00 0.00 C ATOM 1168 C SER A 72 28.993 42.035 28.785 1.00 0.00 C ATOM 1169 O SER A 72 28.145 41.159 28.615 1.00 0.00 O ATOM 1170 CB SER A 72 30.776 42.184 27.015 1.00 0.00 C ATOM 1171 OG SER A 72 30.455 43.544 26.784 1.00 0.00 O ATOM 0 H SER A 72 30.048 39.738 28.301 1.00 0.00 H new ATOM 0 HA SER A 72 31.076 42.358 29.149 1.00 0.00 H new ATOM 0 HB2 SER A 72 31.833 42.018 26.805 1.00 0.00 H new ATOM 0 HB3 SER A 72 30.211 41.554 26.327 1.00 0.00 H new ATOM 0 HG SER A 72 30.664 43.776 25.855 1.00 0.00 H new ATOM 1177 N SER A 73 28.673 43.264 29.190 1.00 0.00 N ATOM 1178 CA SER A 73 27.304 43.801 29.276 1.00 0.00 C ATOM 1179 C SER A 73 27.204 45.160 28.561 1.00 0.00 C ATOM 1180 O SER A 73 26.408 46.020 28.941 1.00 0.00 O ATOM 1181 CB SER A 73 26.817 43.864 30.730 1.00 0.00 C ATOM 1182 OG SER A 73 26.617 42.560 31.250 1.00 0.00 O ATOM 0 H SER A 73 29.380 43.941 29.478 1.00 0.00 H new ATOM 0 HA SER A 73 26.634 43.116 28.756 1.00 0.00 H new ATOM 0 HB2 SER A 73 27.547 44.396 31.340 1.00 0.00 H new ATOM 0 HB3 SER A 73 25.886 44.428 30.782 1.00 0.00 H new ATOM 0 HG SER A 73 25.679 42.301 31.132 1.00 0.00 H new