USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 ASN : amide:sc= 0.867 K(o=1.9,f=-7.9!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 165:sc= 1 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 38:sc= 1.22 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0.979 (180deg=0.814) USER MOD Single : A 14 ASN : amide:sc= -0.0426 K(o=-0.043,f=-1.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.344 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -95:sc= 1.22 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.01 X(o=-0.01,f=-0.01) USER MOD Single : A 31 MET CE :methyl 167:sc= -0.192 (180deg=-0.59) USER MOD Single : A 32 GLN : amide:sc=-0.00479 X(o=-0.0048,f=-0.42) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.9!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 49 SER OG : rot -52:sc= 1.08 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -46:sc= 0.0346 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.148 40.934 33.577 1.00 0.00 N ATOM 2 CA PRO A 1 19.432 41.543 33.156 1.00 0.00 C ATOM 3 C PRO A 1 19.966 40.893 31.876 1.00 0.00 C ATOM 4 O PRO A 1 19.501 39.826 31.490 1.00 0.00 O ATOM 5 CB PRO A 1 20.398 41.463 34.349 1.00 0.00 C ATOM 6 CG PRO A 1 19.664 40.606 35.382 1.00 0.00 C ATOM 7 CD PRO A 1 18.208 40.892 35.044 1.00 0.00 C ATOM 0 H2 PRO A 1 18.037 39.999 33.185 1.00 0.00 H new ATOM 0 H3 PRO A 1 17.354 41.488 33.256 1.00 0.00 H new ATOM 0 HA PRO A 1 19.301 42.592 32.891 1.00 0.00 H new ATOM 0 HB2 PRO A 1 21.347 41.011 34.061 1.00 0.00 H new ATOM 0 HB3 PRO A 1 20.624 42.454 34.744 1.00 0.00 H new ATOM 0 HG2 PRO A 1 19.907 39.548 35.283 1.00 0.00 H new ATOM 0 HG3 PRO A 1 19.911 40.895 36.403 1.00 0.00 H new ATOM 0 HD2 PRO A 1 17.553 40.117 35.442 1.00 0.00 H new ATOM 0 HD3 PRO A 1 17.883 41.838 35.478 1.00 0.00 H new ATOM 17 N LYS A 2 20.931 41.521 31.201 1.00 0.00 N ATOM 18 CA LYS A 2 21.488 41.040 29.928 1.00 0.00 C ATOM 19 C LYS A 2 23.014 41.110 29.921 1.00 0.00 C ATOM 20 O LYS A 2 23.604 42.109 30.327 1.00 0.00 O ATOM 21 CB LYS A 2 20.843 41.773 28.728 1.00 0.00 C ATOM 22 CG LYS A 2 20.911 43.319 28.746 1.00 0.00 C ATOM 23 CD LYS A 2 19.553 44.025 28.927 1.00 0.00 C ATOM 24 CE LYS A 2 18.884 43.667 30.259 1.00 0.00 C ATOM 25 NZ LYS A 2 17.615 44.391 30.486 1.00 0.00 N ATOM 0 H LYS A 2 21.356 42.390 31.525 1.00 0.00 H new ATOM 0 HA LYS A 2 21.235 39.985 29.822 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.323 41.421 27.815 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.795 41.478 28.671 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.576 43.630 29.552 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.360 43.660 27.813 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.697 45.104 28.874 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.891 43.751 28.105 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.693 42.594 30.285 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.572 43.888 31.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.212 44.106 31.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.796 45.415 30.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.944 44.161 29.726 1.00 0.00 H new ATOM 39 N SER A 3 23.651 40.045 29.455 1.00 0.00 N ATOM 40 CA SER A 3 25.097 39.936 29.255 1.00 0.00 C ATOM 41 C SER A 3 25.373 39.045 28.051 1.00 0.00 C ATOM 42 O SER A 3 24.562 38.177 27.722 1.00 0.00 O ATOM 43 CB SER A 3 25.745 39.340 30.506 1.00 0.00 C ATOM 44 OG SER A 3 27.139 39.171 30.373 1.00 0.00 O ATOM 0 H SER A 3 23.155 39.193 29.193 1.00 0.00 H new ATOM 0 HA SER A 3 25.518 40.925 29.075 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.542 39.988 31.358 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.286 38.375 30.723 1.00 0.00 H new ATOM 0 HG SER A 3 27.515 39.929 29.879 1.00 0.00 H new ATOM 50 N ARG A 4 26.535 39.217 27.424 1.00 0.00 N ATOM 51 CA ARG A 4 27.039 38.303 26.400 1.00 0.00 C ATOM 52 C ARG A 4 28.386 37.703 26.763 1.00 0.00 C ATOM 53 O ARG A 4 29.094 38.187 27.646 1.00 0.00 O ATOM 54 CB ARG A 4 26.996 38.953 25.015 1.00 0.00 C ATOM 55 CG ARG A 4 27.964 40.134 24.895 1.00 0.00 C ATOM 56 CD ARG A 4 27.928 40.706 23.481 1.00 0.00 C ATOM 57 NE ARG A 4 26.603 41.249 23.148 1.00 0.00 N ATOM 58 CZ ARG A 4 26.222 41.723 21.984 1.00 0.00 C ATOM 59 NH1 ARG A 4 26.996 41.767 20.944 1.00 0.00 N ATOM 60 NH2 ARG A 4 25.018 42.175 21.854 1.00 0.00 N ATOM 0 H ARG A 4 27.159 40.001 27.614 1.00 0.00 H new ATOM 0 HA ARG A 4 26.366 37.447 26.355 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.241 38.207 24.259 1.00 0.00 H new ATOM 0 HB3 ARG A 4 25.982 39.295 24.808 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.696 40.908 25.615 1.00 0.00 H new ATOM 0 HG3 ARG A 4 28.976 39.810 25.138 1.00 0.00 H new ATOM 0 HD2 ARG A 4 28.677 41.492 23.387 1.00 0.00 H new ATOM 0 HD3 ARG A 4 28.192 39.927 22.766 1.00 0.00 H new ATOM 0 HE ARG A 4 25.910 41.259 23.896 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.954 41.422 21.006 1.00 0.00 H new ATOM 0 HH12 ARG A 4 26.647 42.146 20.064 1.00 0.00 H new ATOM 0 HH21 ARG A 4 24.379 42.160 22.649 1.00 0.00 H new ATOM 0 HH22 ARG A 4 24.707 42.546 20.956 1.00 0.00 H new ATOM 74 N LEU A 5 28.681 36.607 26.084 1.00 0.00 N ATOM 75 CA LEU A 5 29.830 35.752 26.288 1.00 0.00 C ATOM 76 C LEU A 5 30.401 35.384 24.923 1.00 0.00 C ATOM 77 O LEU A 5 29.719 34.801 24.080 1.00 0.00 O ATOM 78 CB LEU A 5 29.358 34.537 27.094 1.00 0.00 C ATOM 79 CG LEU A 5 30.403 33.506 27.534 1.00 0.00 C ATOM 80 CD1 LEU A 5 30.883 32.571 26.430 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.622 34.136 28.202 1.00 0.00 C ATOM 0 H LEU A 5 28.084 36.273 25.328 1.00 0.00 H new ATOM 0 HA LEU A 5 30.629 36.238 26.848 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.858 34.906 27.989 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.606 34.016 26.501 1.00 0.00 H new ATOM 0 HG LEU A 5 29.855 32.907 28.262 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.620 31.878 26.835 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.036 32.010 26.034 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.337 33.156 25.630 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.324 33.354 28.490 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.106 34.819 27.505 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.307 34.686 29.089 1.00 0.00 H new ATOM 93 N PHE A 6 31.664 35.719 24.724 1.00 0.00 N ATOM 94 CA PHE A 6 32.422 35.449 23.517 1.00 0.00 C ATOM 95 C PHE A 6 33.388 34.284 23.762 1.00 0.00 C ATOM 96 O PHE A 6 34.058 34.231 24.797 1.00 0.00 O ATOM 97 CB PHE A 6 33.126 36.751 23.128 1.00 0.00 C ATOM 98 CG PHE A 6 34.173 36.626 22.047 1.00 0.00 C ATOM 99 CD1 PHE A 6 33.887 36.006 20.814 1.00 0.00 C ATOM 100 CD2 PHE A 6 35.452 37.150 22.284 1.00 0.00 C ATOM 101 CE1 PHE A 6 34.878 35.927 19.818 1.00 0.00 C ATOM 102 CE2 PHE A 6 36.437 37.063 21.294 1.00 0.00 C ATOM 103 CZ PHE A 6 36.158 36.455 20.057 1.00 0.00 C ATOM 0 H PHE A 6 32.212 36.208 25.431 1.00 0.00 H new ATOM 0 HA PHE A 6 31.785 35.138 22.689 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.373 37.467 22.799 1.00 0.00 H new ATOM 0 HB3 PHE A 6 33.596 37.170 24.018 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.906 35.591 20.633 1.00 0.00 H new ATOM 0 HD2 PHE A 6 35.677 37.620 23.230 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.655 35.461 18.870 1.00 0.00 H new ATOM 0 HE2 PHE A 6 37.421 37.467 21.482 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.922 36.394 19.296 1.00 0.00 H new ATOM 113 N ILE A 7 33.447 33.342 22.819 1.00 0.00 N ATOM 114 CA ILE A 7 34.389 32.218 22.848 1.00 0.00 C ATOM 115 C ILE A 7 35.664 32.620 22.092 1.00 0.00 C ATOM 116 O ILE A 7 35.574 33.085 20.955 1.00 0.00 O ATOM 117 CB ILE A 7 33.747 30.946 22.236 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.307 30.630 22.706 1.00 0.00 C ATOM 119 CG2 ILE A 7 34.646 29.724 22.489 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.146 30.335 24.196 1.00 0.00 C ATOM 0 H ILE A 7 32.835 33.337 22.003 1.00 0.00 H new ATOM 0 HA ILE A 7 34.646 31.981 23.880 1.00 0.00 H new ATOM 0 HB ILE A 7 33.663 31.166 21.172 1.00 0.00 H new ATOM 0 HG12 ILE A 7 31.668 31.475 22.451 1.00 0.00 H new ATOM 0 HG13 ILE A 7 31.941 29.772 22.143 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.185 28.837 22.055 1.00 0.00 H new ATOM 0 HG22 ILE A 7 35.621 29.888 22.030 1.00 0.00 H new ATOM 0 HG23 ILE A 7 34.770 29.580 23.562 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.099 30.127 24.415 1.00 0.00 H new ATOM 0 HD12 ILE A 7 32.751 29.468 24.463 1.00 0.00 H new ATOM 0 HD13 ILE A 7 32.473 31.198 24.775 1.00 0.00 H new ATOM 132 N GLY A 8 36.847 32.385 22.664 1.00 0.00 N ATOM 133 CA GLY A 8 38.136 32.521 21.973 1.00 0.00 C ATOM 134 C GLY A 8 38.430 31.361 21.014 1.00 0.00 C ATOM 135 O GLY A 8 37.520 30.681 20.533 1.00 0.00 O ATOM 0 H GLY A 8 36.940 32.090 23.636 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.145 33.457 21.415 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.934 32.583 22.713 1.00 0.00 H new ATOM 139 N ASN A 9 39.708 31.105 20.731 1.00 0.00 N ATOM 140 CA ASN A 9 40.143 29.988 19.889 1.00 0.00 C ATOM 141 C ASN A 9 39.918 28.629 20.587 1.00 0.00 C ATOM 142 O ASN A 9 40.821 28.059 21.204 1.00 0.00 O ATOM 143 CB ASN A 9 41.602 30.215 19.460 1.00 0.00 C ATOM 144 CG ASN A 9 42.075 29.143 18.498 1.00 0.00 C ATOM 145 OD1 ASN A 9 41.364 28.745 17.580 1.00 0.00 O ATOM 146 ND2 ASN A 9 43.276 28.648 18.653 1.00 0.00 N ATOM 0 H ASN A 9 40.479 31.673 21.083 1.00 0.00 H new ATOM 0 HA ASN A 9 39.532 29.952 18.987 1.00 0.00 H new ATOM 0 HB2 ASN A 9 41.695 31.194 18.989 1.00 0.00 H new ATOM 0 HB3 ASN A 9 42.244 30.223 20.341 1.00 0.00 H new ATOM 0 HD21 ASN A 9 43.620 27.933 18.012 1.00 0.00 H new ATOM 0 HD22 ASN A 9 43.869 28.977 19.415 1.00 0.00 H new ATOM 153 N LEU A 10 38.692 28.114 20.485 1.00 0.00 N ATOM 154 CA LEU A 10 38.248 26.831 21.037 1.00 0.00 C ATOM 155 C LEU A 10 37.312 26.010 20.115 1.00 0.00 C ATOM 156 O LEU A 10 37.498 24.792 20.064 1.00 0.00 O ATOM 157 CB LEU A 10 37.602 27.116 22.408 1.00 0.00 C ATOM 158 CG LEU A 10 37.073 25.882 23.158 1.00 0.00 C ATOM 159 CD1 LEU A 10 38.183 24.872 23.444 1.00 0.00 C ATOM 160 CD2 LEU A 10 36.452 26.329 24.481 1.00 0.00 C ATOM 0 H LEU A 10 37.945 28.603 19.992 1.00 0.00 H new ATOM 0 HA LEU A 10 39.122 26.187 21.137 1.00 0.00 H new ATOM 0 HB2 LEU A 10 38.336 27.617 23.039 1.00 0.00 H new ATOM 0 HB3 LEU A 10 36.777 27.814 22.264 1.00 0.00 H new ATOM 0 HG LEU A 10 36.330 25.397 22.526 1.00 0.00 H new ATOM 0 HD11 LEU A 10 37.768 24.015 23.975 1.00 0.00 H new ATOM 0 HD12 LEU A 10 38.622 24.538 22.504 1.00 0.00 H new ATOM 0 HD13 LEU A 10 38.952 25.341 24.058 1.00 0.00 H new ATOM 0 HD21 LEU A 10 36.075 25.459 25.018 1.00 0.00 H new ATOM 0 HD22 LEU A 10 37.207 26.830 25.087 1.00 0.00 H new ATOM 0 HD23 LEU A 10 35.630 27.017 24.283 1.00 0.00 H new ATOM 172 N PRO A 11 36.314 26.581 19.401 1.00 0.00 N ATOM 173 CA PRO A 11 35.214 25.799 18.831 1.00 0.00 C ATOM 174 C PRO A 11 35.438 25.349 17.374 1.00 0.00 C ATOM 175 O PRO A 11 34.479 24.970 16.707 1.00 0.00 O ATOM 176 CB PRO A 11 33.983 26.694 19.002 1.00 0.00 C ATOM 177 CG PRO A 11 34.561 28.073 18.709 1.00 0.00 C ATOM 178 CD PRO A 11 35.960 27.995 19.327 1.00 0.00 C ATOM 0 HA PRO A 11 35.107 24.844 19.345 1.00 0.00 H new ATOM 0 HB2 PRO A 11 33.185 26.429 18.309 1.00 0.00 H new ATOM 0 HB3 PRO A 11 33.567 26.630 20.007 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.603 28.275 17.639 1.00 0.00 H new ATOM 0 HG3 PRO A 11 33.964 28.866 19.160 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.681 28.542 18.720 1.00 0.00 H new ATOM 0 HD3 PRO A 11 35.970 28.448 20.319 1.00 0.00 H new ATOM 186 N LEU A 12 36.671 25.355 16.848 1.00 0.00 N ATOM 187 CA LEU A 12 36.983 25.010 15.444 1.00 0.00 C ATOM 188 C LEU A 12 36.841 23.510 15.086 1.00 0.00 C ATOM 189 O LEU A 12 37.439 23.043 14.112 1.00 0.00 O ATOM 190 CB LEU A 12 38.377 25.563 15.077 1.00 0.00 C ATOM 191 CG LEU A 12 38.466 27.098 15.019 1.00 0.00 C ATOM 192 CD1 LEU A 12 39.919 27.507 14.790 1.00 0.00 C ATOM 193 CD2 LEU A 12 37.633 27.664 13.867 1.00 0.00 C ATOM 0 H LEU A 12 37.498 25.603 17.392 1.00 0.00 H new ATOM 0 HA LEU A 12 36.219 25.490 14.833 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.101 25.198 15.806 1.00 0.00 H new ATOM 0 HB3 LEU A 12 38.669 25.159 14.108 1.00 0.00 H new ATOM 0 HG LEU A 12 38.085 27.490 15.962 1.00 0.00 H new ATOM 0 HD11 LEU A 12 39.989 28.594 14.748 1.00 0.00 H new ATOM 0 HD12 LEU A 12 40.535 27.135 15.609 1.00 0.00 H new ATOM 0 HD13 LEU A 12 40.272 27.084 13.849 1.00 0.00 H new ATOM 0 HD21 LEU A 12 37.719 28.751 13.856 1.00 0.00 H new ATOM 0 HD22 LEU A 12 37.998 27.261 12.922 1.00 0.00 H new ATOM 0 HD23 LEU A 12 36.588 27.384 14.002 1.00 0.00 H new ATOM 205 N LYS A 13 36.044 22.759 15.852 1.00 0.00 N ATOM 206 CA LYS A 13 35.802 21.317 15.736 1.00 0.00 C ATOM 207 C LYS A 13 34.329 20.995 15.973 1.00 0.00 C ATOM 208 O LYS A 13 33.747 21.439 16.964 1.00 0.00 O ATOM 209 CB LYS A 13 36.722 20.535 16.696 1.00 0.00 C ATOM 210 CG LYS A 13 36.396 20.586 18.205 1.00 0.00 C ATOM 211 CD LYS A 13 36.314 21.993 18.825 1.00 0.00 C ATOM 212 CE LYS A 13 36.168 21.927 20.347 1.00 0.00 C ATOM 213 NZ LYS A 13 34.775 21.641 20.767 1.00 0.00 N ATOM 0 H LYS A 13 35.515 23.170 16.621 1.00 0.00 H new ATOM 0 HA LYS A 13 36.043 21.003 14.721 1.00 0.00 H new ATOM 0 HB2 LYS A 13 36.718 19.490 16.387 1.00 0.00 H new ATOM 0 HB3 LYS A 13 37.739 20.903 16.560 1.00 0.00 H new ATOM 0 HG2 LYS A 13 35.444 20.081 18.369 1.00 0.00 H new ATOM 0 HG3 LYS A 13 37.155 20.017 18.741 1.00 0.00 H new ATOM 0 HD2 LYS A 13 37.210 22.558 18.568 1.00 0.00 H new ATOM 0 HD3 LYS A 13 35.466 22.530 18.400 1.00 0.00 H new ATOM 0 HE2 LYS A 13 36.829 21.155 20.740 1.00 0.00 H new ATOM 0 HE3 LYS A 13 36.489 22.873 20.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 34.759 21.405 21.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.182 22.479 20.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.405 20.838 20.219 1.00 0.00 H new ATOM 227 N ASN A 14 33.736 20.198 15.090 1.00 0.00 N ATOM 228 CA ASN A 14 32.334 19.777 15.136 1.00 0.00 C ATOM 229 C ASN A 14 31.361 20.900 15.562 1.00 0.00 C ATOM 230 O ASN A 14 30.570 20.736 16.498 1.00 0.00 O ATOM 231 CB ASN A 14 32.232 18.502 15.989 1.00 0.00 C ATOM 232 CG ASN A 14 30.922 17.780 15.778 1.00 0.00 C ATOM 233 OD1 ASN A 14 30.219 17.980 14.797 1.00 0.00 O ATOM 234 ND2 ASN A 14 30.569 16.884 16.658 1.00 0.00 N ATOM 0 H ASN A 14 34.236 19.811 14.290 1.00 0.00 H new ATOM 0 HA ASN A 14 32.003 19.543 14.124 1.00 0.00 H new ATOM 0 HB2 ASN A 14 33.057 17.834 15.742 1.00 0.00 H new ATOM 0 HB3 ASN A 14 32.337 18.762 17.042 1.00 0.00 H new ATOM 0 HD21 ASN A 14 29.709 16.352 16.527 1.00 0.00 H new ATOM 0 HD22 ASN A 14 31.153 16.715 17.477 1.00 0.00 H new ATOM 241 N VAL A 15 31.502 22.078 14.953 1.00 0.00 N ATOM 242 CA VAL A 15 30.969 23.335 15.482 1.00 0.00 C ATOM 243 C VAL A 15 29.437 23.316 15.501 1.00 0.00 C ATOM 244 O VAL A 15 28.789 22.987 14.501 1.00 0.00 O ATOM 245 CB VAL A 15 31.602 24.536 14.748 1.00 0.00 C ATOM 246 CG1 VAL A 15 31.067 24.768 13.333 1.00 0.00 C ATOM 247 CG2 VAL A 15 31.433 25.826 15.545 1.00 0.00 C ATOM 0 H VAL A 15 31.996 22.188 14.067 1.00 0.00 H new ATOM 0 HA VAL A 15 31.255 23.452 16.527 1.00 0.00 H new ATOM 0 HB VAL A 15 32.656 24.271 14.659 1.00 0.00 H new ATOM 0 HG11 VAL A 15 31.566 25.631 12.892 1.00 0.00 H new ATOM 0 HG12 VAL A 15 31.259 23.886 12.722 1.00 0.00 H new ATOM 0 HG13 VAL A 15 29.994 24.953 13.376 1.00 0.00 H new ATOM 0 HG21 VAL A 15 31.890 26.653 15.001 1.00 0.00 H new ATOM 0 HG22 VAL A 15 30.372 26.029 15.689 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.917 25.720 16.516 1.00 0.00 H new ATOM 257 N SER A 16 28.859 23.587 16.673 1.00 0.00 N ATOM 258 CA SER A 16 27.439 23.380 16.989 1.00 0.00 C ATOM 259 C SER A 16 27.025 24.232 18.193 1.00 0.00 C ATOM 260 O SER A 16 27.835 24.461 19.096 1.00 0.00 O ATOM 261 CB SER A 16 27.212 21.900 17.330 1.00 0.00 C ATOM 262 OG SER A 16 25.892 21.686 17.797 1.00 0.00 O ATOM 0 H SER A 16 29.384 23.971 17.459 1.00 0.00 H new ATOM 0 HA SER A 16 26.841 23.671 16.125 1.00 0.00 H new ATOM 0 HB2 SER A 16 27.394 21.287 16.447 1.00 0.00 H new ATOM 0 HB3 SER A 16 27.927 21.584 18.090 1.00 0.00 H new ATOM 0 HG SER A 16 25.769 20.737 18.007 1.00 0.00 H new ATOM 268 N LYS A 17 25.749 24.633 18.272 1.00 0.00 N ATOM 269 CA LYS A 17 25.174 25.252 19.483 1.00 0.00 C ATOM 270 C LYS A 17 25.211 24.325 20.705 1.00 0.00 C ATOM 271 O LYS A 17 25.111 24.801 21.831 1.00 0.00 O ATOM 272 CB LYS A 17 23.759 25.793 19.204 1.00 0.00 C ATOM 273 CG LYS A 17 22.689 24.701 19.012 1.00 0.00 C ATOM 274 CD LYS A 17 21.288 25.272 18.726 1.00 0.00 C ATOM 275 CE LYS A 17 21.217 26.211 17.513 1.00 0.00 C ATOM 276 NZ LYS A 17 21.635 25.547 16.256 1.00 0.00 N ATOM 0 H LYS A 17 25.085 24.540 17.503 1.00 0.00 H new ATOM 0 HA LYS A 17 25.810 26.099 19.741 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.460 26.437 20.031 1.00 0.00 H new ATOM 0 HB3 LYS A 17 23.790 26.416 18.310 1.00 0.00 H new ATOM 0 HG2 LYS A 17 22.985 24.051 18.188 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.646 24.081 19.908 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.597 24.444 18.569 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.943 25.812 19.608 1.00 0.00 H new ATOM 0 HE2 LYS A 17 20.198 26.581 17.403 1.00 0.00 H new ATOM 0 HE3 LYS A 17 21.853 27.078 17.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.569 26.223 15.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.617 25.217 16.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.013 24.735 16.069 1.00 0.00 H new ATOM 290 N GLU A 18 25.409 23.019 20.508 1.00 0.00 N ATOM 291 CA GLU A 18 25.688 22.082 21.599 1.00 0.00 C ATOM 292 C GLU A 18 27.080 22.298 22.213 1.00 0.00 C ATOM 293 O GLU A 18 27.235 22.130 23.414 1.00 0.00 O ATOM 294 CB GLU A 18 25.540 20.640 21.102 1.00 0.00 C ATOM 295 CG GLU A 18 25.557 19.613 22.250 1.00 0.00 C ATOM 296 CD GLU A 18 25.440 18.166 21.761 1.00 0.00 C ATOM 297 OE1 GLU A 18 25.010 17.928 20.612 1.00 0.00 O ATOM 298 OE2 GLU A 18 25.773 17.230 22.532 1.00 0.00 O ATOM 0 H GLU A 18 25.380 22.581 19.587 1.00 0.00 H new ATOM 0 HA GLU A 18 24.959 22.271 22.387 1.00 0.00 H new ATOM 0 HB2 GLU A 18 24.606 20.545 20.548 1.00 0.00 H new ATOM 0 HB3 GLU A 18 26.348 20.415 20.406 1.00 0.00 H new ATOM 0 HG2 GLU A 18 26.481 19.725 22.817 1.00 0.00 H new ATOM 0 HG3 GLU A 18 24.736 19.827 22.934 1.00 0.00 H new ATOM 305 N ASP A 19 28.101 22.697 21.444 1.00 0.00 N ATOM 306 CA ASP A 19 29.451 22.927 21.993 1.00 0.00 C ATOM 307 C ASP A 19 29.504 24.174 22.890 1.00 0.00 C ATOM 308 O ASP A 19 30.140 24.172 23.939 1.00 0.00 O ATOM 309 CB ASP A 19 30.477 23.009 20.852 1.00 0.00 C ATOM 310 CG ASP A 19 31.913 22.853 21.365 1.00 0.00 C ATOM 311 OD1 ASP A 19 32.159 21.942 22.191 1.00 0.00 O ATOM 312 OD2 ASP A 19 32.821 23.579 20.909 1.00 0.00 O ATOM 0 H ASP A 19 28.022 22.868 20.442 1.00 0.00 H new ATOM 0 HA ASP A 19 29.706 22.079 22.628 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.267 22.231 20.118 1.00 0.00 H new ATOM 0 HB3 ASP A 19 30.376 23.966 20.340 1.00 0.00 H new ATOM 317 N LEU A 20 28.749 25.217 22.542 1.00 0.00 N ATOM 318 CA LEU A 20 28.565 26.382 23.410 1.00 0.00 C ATOM 319 C LEU A 20 27.684 26.050 24.626 1.00 0.00 C ATOM 320 O LEU A 20 28.016 26.455 25.737 1.00 0.00 O ATOM 321 CB LEU A 20 28.013 27.545 22.573 1.00 0.00 C ATOM 322 CG LEU A 20 29.097 28.469 22.003 1.00 0.00 C ATOM 323 CD1 LEU A 20 30.187 27.738 21.213 1.00 0.00 C ATOM 324 CD2 LEU A 20 28.418 29.496 21.104 1.00 0.00 C ATOM 0 H LEU A 20 28.250 25.279 21.655 1.00 0.00 H new ATOM 0 HA LEU A 20 29.527 26.685 23.824 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.425 27.140 21.750 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.335 28.134 23.190 1.00 0.00 H new ATOM 0 HG LEU A 20 29.604 28.936 22.848 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.915 28.460 20.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 30.687 27.019 21.862 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.736 27.214 20.370 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.169 30.166 20.686 1.00 0.00 H new ATOM 0 HD22 LEU A 20 27.898 28.984 20.295 1.00 0.00 H new ATOM 0 HD23 LEU A 20 27.701 30.073 21.688 1.00 0.00 H new ATOM 336 N PHE A 21 26.627 25.251 24.448 1.00 0.00 N ATOM 337 CA PHE A 21 25.783 24.751 25.540 1.00 0.00 C ATOM 338 C PHE A 21 26.566 23.874 26.531 1.00 0.00 C ATOM 339 O PHE A 21 26.354 23.980 27.745 1.00 0.00 O ATOM 340 CB PHE A 21 24.616 23.976 24.913 1.00 0.00 C ATOM 341 CG PHE A 21 23.592 23.393 25.867 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.839 22.169 26.521 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.356 24.043 26.048 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.864 21.613 27.369 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.381 23.480 26.888 1.00 0.00 C ATOM 346 CZ PHE A 21 21.636 22.270 27.554 1.00 0.00 C ATOM 0 H PHE A 21 26.329 24.928 23.528 1.00 0.00 H new ATOM 0 HA PHE A 21 25.411 25.594 26.123 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.097 24.642 24.223 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.030 23.161 24.319 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.778 21.657 26.371 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.157 24.975 25.540 1.00 0.00 H new ATOM 0 HE1 PHE A 21 23.060 20.681 27.878 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.433 23.979 27.022 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.889 21.845 28.208 1.00 0.00 H new ATOM 356 N ARG A 22 27.500 23.036 26.051 1.00 0.00 N ATOM 357 CA ARG A 22 28.388 22.227 26.904 1.00 0.00 C ATOM 358 C ARG A 22 29.349 23.114 27.685 1.00 0.00 C ATOM 359 O ARG A 22 29.588 22.829 28.855 1.00 0.00 O ATOM 360 CB ARG A 22 29.086 21.099 26.101 1.00 0.00 C ATOM 361 CG ARG A 22 30.550 21.332 25.680 1.00 0.00 C ATOM 362 CD ARG A 22 31.576 21.015 26.781 1.00 0.00 C ATOM 363 NE ARG A 22 31.739 19.569 26.944 1.00 0.00 N ATOM 364 CZ ARG A 22 32.501 18.785 26.216 1.00 0.00 C ATOM 365 NH1 ARG A 22 33.289 19.230 25.279 1.00 0.00 N ATOM 366 NH2 ARG A 22 32.448 17.509 26.426 1.00 0.00 N ATOM 0 H ARG A 22 27.661 22.900 25.053 1.00 0.00 H new ATOM 0 HA ARG A 22 27.779 21.713 27.648 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.048 20.187 26.697 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.501 20.915 25.200 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.768 20.717 24.807 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.669 22.372 25.376 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.536 21.467 26.530 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.252 21.457 27.723 1.00 0.00 H new ATOM 0 HE ARG A 22 31.209 19.128 27.696 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.334 20.230 25.083 1.00 0.00 H new ATOM 0 HH12 ARG A 22 33.861 18.579 24.742 1.00 0.00 H new ATOM 0 HH21 ARG A 22 31.825 17.135 27.142 1.00 0.00 H new ATOM 0 HH22 ARG A 22 33.029 16.877 25.875 1.00 0.00 H new ATOM 380 N ILE A 23 29.831 24.209 27.092 1.00 0.00 N ATOM 381 CA ILE A 23 30.627 25.223 27.793 1.00 0.00 C ATOM 382 C ILE A 23 29.743 25.876 28.866 1.00 0.00 C ATOM 383 O ILE A 23 29.882 25.517 30.037 1.00 0.00 O ATOM 384 CB ILE A 23 31.311 26.194 26.799 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.396 25.439 25.991 1.00 0.00 C ATOM 386 CG2 ILE A 23 31.950 27.396 27.518 1.00 0.00 C ATOM 387 CD1 ILE A 23 32.813 26.161 24.703 1.00 0.00 C ATOM 0 H ILE A 23 29.680 24.420 26.106 1.00 0.00 H new ATOM 0 HA ILE A 23 31.470 24.773 28.318 1.00 0.00 H new ATOM 0 HB ILE A 23 30.541 26.575 26.128 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.275 25.299 26.620 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.024 24.446 25.738 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.419 28.052 26.784 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.181 27.947 28.059 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.704 27.041 28.221 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.575 25.576 24.188 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.945 26.277 24.054 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.215 27.143 24.950 1.00 0.00 H new ATOM 399 N PHE A 24 28.781 26.735 28.505 1.00 0.00 N ATOM 400 CA PHE A 24 27.840 27.354 29.451 1.00 0.00 C ATOM 401 C PHE A 24 26.376 27.050 29.080 1.00 0.00 C ATOM 402 O PHE A 24 25.884 27.462 28.033 1.00 0.00 O ATOM 403 CB PHE A 24 28.006 28.887 29.535 1.00 0.00 C ATOM 404 CG PHE A 24 29.304 29.532 30.001 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.432 28.797 30.410 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.367 30.937 30.033 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.634 29.447 30.718 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.557 31.592 30.399 1.00 0.00 C ATOM 409 CZ PHE A 24 31.703 30.844 30.691 1.00 0.00 C ATOM 0 H PHE A 24 28.632 27.024 27.538 1.00 0.00 H new ATOM 0 HA PHE A 24 28.077 26.916 30.421 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.798 29.281 28.540 1.00 0.00 H new ATOM 0 HB3 PHE A 24 27.218 29.253 30.194 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.370 27.722 30.487 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.494 31.518 29.774 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.509 28.869 30.977 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.586 32.670 30.455 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.638 31.344 30.895 1.00 0.00 H new ATOM 419 N SER A 25 25.646 26.419 29.998 1.00 0.00 N ATOM 420 CA SER A 25 24.173 26.419 30.050 1.00 0.00 C ATOM 421 C SER A 25 23.559 26.278 31.462 1.00 0.00 C ATOM 422 O SER A 25 22.515 26.892 31.687 1.00 0.00 O ATOM 423 CB SER A 25 23.581 25.369 29.104 1.00 0.00 C ATOM 424 OG SER A 25 24.144 24.096 29.343 1.00 0.00 O ATOM 0 H SER A 25 26.069 25.876 30.751 1.00 0.00 H new ATOM 0 HA SER A 25 23.895 27.418 29.715 1.00 0.00 H new ATOM 0 HB2 SER A 25 22.500 25.323 29.237 1.00 0.00 H new ATOM 0 HB3 SER A 25 23.763 25.662 28.070 1.00 0.00 H new ATOM 0 HG SER A 25 24.891 23.948 28.727 1.00 0.00 H new ATOM 430 N PRO A 26 24.163 25.601 32.472 1.00 0.00 N ATOM 431 CA PRO A 26 23.582 25.518 33.819 1.00 0.00 C ATOM 432 C PRO A 26 23.876 26.761 34.688 1.00 0.00 C ATOM 433 O PRO A 26 23.911 26.671 35.921 1.00 0.00 O ATOM 434 CB PRO A 26 24.115 24.199 34.391 1.00 0.00 C ATOM 435 CG PRO A 26 25.519 24.131 33.810 1.00 0.00 C ATOM 436 CD PRO A 26 25.332 24.723 32.417 1.00 0.00 C ATOM 0 HA PRO A 26 22.492 25.517 33.797 1.00 0.00 H new ATOM 0 HB2 PRO A 26 24.127 24.205 35.481 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.507 23.348 34.083 1.00 0.00 H new ATOM 0 HG2 PRO A 26 26.231 24.706 34.402 1.00 0.00 H new ATOM 0 HG3 PRO A 26 25.891 23.107 33.769 1.00 0.00 H new ATOM 0 HD2 PRO A 26 26.218 25.281 32.114 1.00 0.00 H new ATOM 0 HD3 PRO A 26 25.185 23.933 31.680 1.00 0.00 H new ATOM 444 N TYR A 27 24.100 27.917 34.059 1.00 0.00 N ATOM 445 CA TYR A 27 24.519 29.179 34.674 1.00 0.00 C ATOM 446 C TYR A 27 23.503 30.285 34.383 1.00 0.00 C ATOM 447 O TYR A 27 23.031 30.414 33.253 1.00 0.00 O ATOM 448 CB TYR A 27 25.910 29.575 34.163 1.00 0.00 C ATOM 449 CG TYR A 27 26.981 28.555 34.493 1.00 0.00 C ATOM 450 CD1 TYR A 27 27.531 28.515 35.787 1.00 0.00 C ATOM 451 CD2 TYR A 27 27.422 27.646 33.511 1.00 0.00 C ATOM 452 CE1 TYR A 27 28.508 27.556 36.106 1.00 0.00 C ATOM 453 CE2 TYR A 27 28.397 26.680 33.831 1.00 0.00 C ATOM 454 CZ TYR A 27 28.933 26.625 35.136 1.00 0.00 C ATOM 455 OH TYR A 27 29.835 25.663 35.469 1.00 0.00 O ATOM 0 H TYR A 27 23.987 28.002 33.049 1.00 0.00 H new ATOM 0 HA TYR A 27 24.569 29.042 35.754 1.00 0.00 H new ATOM 0 HB2 TYR A 27 25.868 29.711 33.082 1.00 0.00 H new ATOM 0 HB3 TYR A 27 26.188 30.537 34.594 1.00 0.00 H new ATOM 0 HD1 TYR A 27 27.203 29.221 36.535 1.00 0.00 H new ATOM 0 HD2 TYR A 27 27.013 27.690 32.513 1.00 0.00 H new ATOM 0 HE1 TYR A 27 28.935 27.532 37.098 1.00 0.00 H new ATOM 0 HE2 TYR A 27 28.734 25.982 33.079 1.00 0.00 H new ATOM 0 HH TYR A 27 30.020 25.103 34.686 1.00 0.00 H new ATOM 465 N GLY A 28 23.184 31.093 35.392 1.00 0.00 N ATOM 466 CA GLY A 28 22.313 32.253 35.238 1.00 0.00 C ATOM 467 C GLY A 28 20.864 31.914 34.908 1.00 0.00 C ATOM 468 O GLY A 28 20.378 30.809 35.168 1.00 0.00 O ATOM 0 H GLY A 28 23.525 30.959 36.344 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.336 32.834 36.160 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.713 32.890 34.449 1.00 0.00 H new ATOM 472 N HIS A 29 20.155 32.896 34.351 1.00 0.00 N ATOM 473 CA HIS A 29 18.724 32.806 34.038 1.00 0.00 C ATOM 474 C HIS A 29 18.436 32.522 32.552 1.00 0.00 C ATOM 475 O HIS A 29 17.308 32.163 32.221 1.00 0.00 O ATOM 476 CB HIS A 29 18.034 34.061 34.587 1.00 0.00 C ATOM 477 CG HIS A 29 16.532 34.043 34.492 1.00 0.00 C ATOM 478 ND1 HIS A 29 15.752 34.883 33.696 1.00 0.00 N ATOM 479 CD2 HIS A 29 15.713 33.218 35.198 1.00 0.00 C ATOM 480 CE1 HIS A 29 14.476 34.540 33.945 1.00 0.00 C ATOM 481 NE2 HIS A 29 14.427 33.543 34.843 1.00 0.00 N ATOM 0 H HIS A 29 20.565 33.795 34.099 1.00 0.00 H new ATOM 0 HA HIS A 29 18.299 31.933 34.533 1.00 0.00 H new ATOM 0 HB2 HIS A 29 18.317 34.188 35.632 1.00 0.00 H new ATOM 0 HB3 HIS A 29 18.409 34.931 34.048 1.00 0.00 H new ATOM 0 HD2 HIS A 29 16.015 32.456 35.901 1.00 0.00 H new ATOM 0 HE1 HIS A 29 13.613 35.001 33.488 1.00 0.00 H new ATOM 0 HE2 HIS A 29 13.579 33.102 35.200 1.00 0.00 H new ATOM 489 N ILE A 30 19.470 32.546 31.695 1.00 0.00 N ATOM 490 CA ILE A 30 19.449 32.174 30.260 1.00 0.00 C ATOM 491 C ILE A 30 18.639 33.118 29.343 1.00 0.00 C ATOM 492 O ILE A 30 17.590 33.633 29.722 1.00 0.00 O ATOM 493 CB ILE A 30 19.107 30.660 30.096 1.00 0.00 C ATOM 494 CG1 ILE A 30 20.277 29.847 29.511 1.00 0.00 C ATOM 495 CG2 ILE A 30 17.852 30.382 29.253 1.00 0.00 C ATOM 496 CD1 ILE A 30 21.490 29.791 30.445 1.00 0.00 C ATOM 0 H ILE A 30 20.398 32.842 31.997 1.00 0.00 H new ATOM 0 HA ILE A 30 20.462 32.324 29.886 1.00 0.00 H new ATOM 0 HB ILE A 30 18.906 30.336 31.117 1.00 0.00 H new ATOM 0 HG12 ILE A 30 19.939 28.832 29.302 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.577 30.285 28.559 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.687 29.306 29.190 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.988 30.855 29.720 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.990 30.788 28.251 1.00 0.00 H new ATOM 0 HD11 ILE A 30 22.282 29.205 29.978 1.00 0.00 H new ATOM 0 HD12 ILE A 30 21.851 30.802 30.634 1.00 0.00 H new ATOM 0 HD13 ILE A 30 21.202 29.326 31.388 1.00 0.00 H new ATOM 508 N MET A 31 19.140 33.342 28.119 1.00 0.00 N ATOM 509 CA MET A 31 18.430 34.042 27.029 1.00 0.00 C ATOM 510 C MET A 31 18.663 33.337 25.673 1.00 0.00 C ATOM 511 O MET A 31 17.810 32.555 25.260 1.00 0.00 O ATOM 512 CB MET A 31 18.772 35.550 26.965 1.00 0.00 C ATOM 513 CG MET A 31 18.332 36.428 28.141 1.00 0.00 C ATOM 514 SD MET A 31 16.707 37.216 27.979 1.00 0.00 S ATOM 515 CE MET A 31 15.599 35.917 28.567 1.00 0.00 C ATOM 0 H MET A 31 20.074 33.035 27.849 1.00 0.00 H new ATOM 0 HA MET A 31 17.365 33.986 27.255 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.853 35.645 26.861 1.00 0.00 H new ATOM 0 HB3 MET A 31 18.327 35.957 26.057 1.00 0.00 H new ATOM 0 HG2 MET A 31 18.329 35.817 29.044 1.00 0.00 H new ATOM 0 HG3 MET A 31 19.079 37.208 28.286 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.607 36.335 28.740 1.00 0.00 H new ATOM 0 HE2 MET A 31 15.534 35.128 27.818 1.00 0.00 H new ATOM 0 HE3 MET A 31 15.986 35.503 29.498 1.00 0.00 H new ATOM 525 N GLN A 32 19.788 33.579 24.987 1.00 0.00 N ATOM 526 CA GLN A 32 20.058 33.195 23.586 1.00 0.00 C ATOM 527 C GLN A 32 21.485 32.633 23.361 1.00 0.00 C ATOM 528 O GLN A 32 22.392 32.827 24.171 1.00 0.00 O ATOM 529 CB GLN A 32 19.822 34.418 22.675 1.00 0.00 C ATOM 530 CG GLN A 32 18.387 34.976 22.708 1.00 0.00 C ATOM 531 CD GLN A 32 17.322 33.994 22.226 1.00 0.00 C ATOM 532 OE1 GLN A 32 17.584 33.036 21.505 1.00 0.00 O ATOM 533 NE2 GLN A 32 16.072 34.200 22.566 1.00 0.00 N ATOM 0 H GLN A 32 20.575 34.071 25.410 1.00 0.00 H new ATOM 0 HA GLN A 32 19.372 32.386 23.336 1.00 0.00 H new ATOM 0 HB2 GLN A 32 20.512 35.210 22.966 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.067 34.143 21.649 1.00 0.00 H new ATOM 0 HG2 GLN A 32 18.151 35.279 23.728 1.00 0.00 H new ATOM 0 HG3 GLN A 32 18.344 35.873 22.091 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.830 34.990 23.164 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.342 33.570 22.232 1.00 0.00 H new ATOM 542 N ILE A 33 21.692 31.933 22.238 1.00 0.00 N ATOM 543 CA ILE A 33 22.950 31.235 21.901 1.00 0.00 C ATOM 544 C ILE A 33 23.165 31.192 20.379 1.00 0.00 C ATOM 545 O ILE A 33 22.319 30.668 19.653 1.00 0.00 O ATOM 546 CB ILE A 33 22.947 29.829 22.558 1.00 0.00 C ATOM 547 CG1 ILE A 33 24.239 29.046 22.250 1.00 0.00 C ATOM 548 CG2 ILE A 33 21.714 28.982 22.185 1.00 0.00 C ATOM 549 CD1 ILE A 33 24.423 27.835 23.174 1.00 0.00 C ATOM 0 H ILE A 33 20.976 31.831 21.519 1.00 0.00 H new ATOM 0 HA ILE A 33 23.800 31.785 22.304 1.00 0.00 H new ATOM 0 HB ILE A 33 22.897 30.017 23.631 1.00 0.00 H new ATOM 0 HG12 ILE A 33 24.218 28.709 21.214 1.00 0.00 H new ATOM 0 HG13 ILE A 33 25.097 29.711 22.352 1.00 0.00 H new ATOM 0 HG21 ILE A 33 21.776 28.012 22.678 1.00 0.00 H new ATOM 0 HG22 ILE A 33 20.808 29.496 22.508 1.00 0.00 H new ATOM 0 HG23 ILE A 33 21.684 28.838 21.105 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.347 27.318 22.916 1.00 0.00 H new ATOM 0 HD12 ILE A 33 24.472 28.172 24.210 1.00 0.00 H new ATOM 0 HD13 ILE A 33 23.580 27.154 23.054 1.00 0.00 H new ATOM 561 N ASN A 34 24.278 31.738 19.877 1.00 0.00 N ATOM 562 CA ASN A 34 24.503 32.004 18.450 1.00 0.00 C ATOM 563 C ASN A 34 25.837 31.402 17.965 1.00 0.00 C ATOM 564 O ASN A 34 26.917 31.944 18.214 1.00 0.00 O ATOM 565 CB ASN A 34 24.387 33.524 18.226 1.00 0.00 C ATOM 566 CG ASN A 34 24.318 33.904 16.756 1.00 0.00 C ATOM 567 OD1 ASN A 34 25.204 34.539 16.209 1.00 0.00 O ATOM 568 ND2 ASN A 34 23.258 33.552 16.070 1.00 0.00 N ATOM 0 H ASN A 34 25.066 32.014 20.464 1.00 0.00 H new ATOM 0 HA ASN A 34 23.745 31.510 17.841 1.00 0.00 H new ATOM 0 HB2 ASN A 34 23.496 33.893 18.733 1.00 0.00 H new ATOM 0 HB3 ASN A 34 25.243 34.020 18.684 1.00 0.00 H new ATOM 0 HD21 ASN A 34 23.179 33.809 15.086 1.00 0.00 H new ATOM 0 HD22 ASN A 34 22.513 33.021 16.520 1.00 0.00 H new ATOM 575 N ILE A 35 25.759 30.257 17.277 1.00 0.00 N ATOM 576 CA ILE A 35 26.929 29.547 16.744 1.00 0.00 C ATOM 577 C ILE A 35 27.296 30.018 15.330 1.00 0.00 C ATOM 578 O ILE A 35 26.431 30.142 14.460 1.00 0.00 O ATOM 579 CB ILE A 35 26.727 28.017 16.835 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.048 27.249 16.635 1.00 0.00 C ATOM 581 CG2 ILE A 35 25.690 27.478 15.838 1.00 0.00 C ATOM 582 CD1 ILE A 35 29.007 27.421 17.817 1.00 0.00 C ATOM 0 H ILE A 35 24.874 29.793 17.072 1.00 0.00 H new ATOM 0 HA ILE A 35 27.788 29.796 17.367 1.00 0.00 H new ATOM 0 HB ILE A 35 26.350 27.848 17.844 1.00 0.00 H new ATOM 0 HG12 ILE A 35 27.832 26.190 16.497 1.00 0.00 H new ATOM 0 HG13 ILE A 35 28.533 27.597 15.723 1.00 0.00 H new ATOM 0 HG21 ILE A 35 25.598 26.398 15.956 1.00 0.00 H new ATOM 0 HG22 ILE A 35 24.725 27.947 16.028 1.00 0.00 H new ATOM 0 HG23 ILE A 35 26.010 27.706 14.821 1.00 0.00 H new ATOM 0 HD11 ILE A 35 29.922 26.861 17.627 1.00 0.00 H new ATOM 0 HD12 ILE A 35 29.247 28.477 17.940 1.00 0.00 H new ATOM 0 HD13 ILE A 35 28.535 27.048 18.726 1.00 0.00 H new ATOM 594 N LYS A 36 28.594 30.227 15.086 1.00 0.00 N ATOM 595 CA LYS A 36 29.187 30.585 13.790 1.00 0.00 C ATOM 596 C LYS A 36 30.216 29.529 13.363 1.00 0.00 C ATOM 597 O LYS A 36 30.620 28.685 14.157 1.00 0.00 O ATOM 598 CB LYS A 36 29.774 32.009 13.888 1.00 0.00 C ATOM 599 CG LYS A 36 28.987 33.035 13.063 1.00 0.00 C ATOM 600 CD LYS A 36 27.553 33.241 13.570 1.00 0.00 C ATOM 601 CE LYS A 36 26.901 34.428 12.862 1.00 0.00 C ATOM 602 NZ LYS A 36 25.527 34.648 13.352 1.00 0.00 N ATOM 0 H LYS A 36 29.295 30.148 15.822 1.00 0.00 H new ATOM 0 HA LYS A 36 28.428 30.595 13.008 1.00 0.00 H new ATOM 0 HB2 LYS A 36 29.785 32.321 14.932 1.00 0.00 H new ATOM 0 HB3 LYS A 36 30.810 31.994 13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.514 33.989 13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 36 28.955 32.709 12.023 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.966 32.339 13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 36 27.563 33.412 14.646 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.497 35.326 13.026 1.00 0.00 H new ATOM 0 HE3 LYS A 36 26.883 34.249 11.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 25.199 35.589 13.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 24.897 33.921 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 25.515 34.588 14.390 1.00 0.00 H new ATOM 616 N ASN A 37 30.634 29.544 12.100 1.00 0.00 N ATOM 617 CA ASN A 37 31.441 28.455 11.541 1.00 0.00 C ATOM 618 C ASN A 37 32.933 28.492 11.937 1.00 0.00 C ATOM 619 O ASN A 37 33.626 27.472 11.837 1.00 0.00 O ATOM 620 CB ASN A 37 31.230 28.428 10.022 1.00 0.00 C ATOM 621 CG ASN A 37 31.530 27.060 9.455 1.00 0.00 C ATOM 622 OD1 ASN A 37 32.523 26.846 8.775 1.00 0.00 O ATOM 623 ND2 ASN A 37 30.683 26.100 9.720 1.00 0.00 N ATOM 0 H ASN A 37 30.429 30.296 11.442 1.00 0.00 H new ATOM 0 HA ASN A 37 31.094 27.520 11.981 1.00 0.00 H new ATOM 0 HB2 ASN A 37 30.201 28.704 9.790 1.00 0.00 H new ATOM 0 HB3 ASN A 37 31.873 29.170 9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 37 30.847 25.161 9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 37 29.858 26.290 10.289 1.00 0.00 H new ATOM 630 N ALA A 38 33.426 29.650 12.391 1.00 0.00 N ATOM 631 CA ALA A 38 34.807 29.855 12.845 1.00 0.00 C ATOM 632 C ALA A 38 34.937 30.347 14.307 1.00 0.00 C ATOM 633 O ALA A 38 36.057 30.481 14.810 1.00 0.00 O ATOM 634 CB ALA A 38 35.483 30.816 11.862 1.00 0.00 C ATOM 0 H ALA A 38 32.859 30.495 12.455 1.00 0.00 H new ATOM 0 HA ALA A 38 35.307 28.886 12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 38 36.513 30.989 12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 38 35.474 30.381 10.863 1.00 0.00 H new ATOM 0 HB3 ALA A 38 34.944 31.763 11.850 1.00 0.00 H new ATOM 640 N PHE A 39 33.824 30.637 14.988 1.00 0.00 N ATOM 641 CA PHE A 39 33.754 31.116 16.379 1.00 0.00 C ATOM 642 C PHE A 39 32.325 30.970 16.939 1.00 0.00 C ATOM 643 O PHE A 39 31.418 30.551 16.225 1.00 0.00 O ATOM 644 CB PHE A 39 34.219 32.587 16.450 1.00 0.00 C ATOM 645 CG PHE A 39 33.433 33.531 15.568 1.00 0.00 C ATOM 646 CD1 PHE A 39 32.186 34.020 15.996 1.00 0.00 C ATOM 647 CD2 PHE A 39 33.930 33.884 14.302 1.00 0.00 C ATOM 648 CE1 PHE A 39 31.413 34.818 15.141 1.00 0.00 C ATOM 649 CE2 PHE A 39 33.167 34.705 13.459 1.00 0.00 C ATOM 650 CZ PHE A 39 31.902 35.157 13.869 1.00 0.00 C ATOM 0 H PHE A 39 32.900 30.541 14.567 1.00 0.00 H new ATOM 0 HA PHE A 39 34.417 30.506 16.992 1.00 0.00 H new ATOM 0 HB2 PHE A 39 34.148 32.929 17.483 1.00 0.00 H new ATOM 0 HB3 PHE A 39 35.271 32.637 16.169 1.00 0.00 H new ATOM 0 HD1 PHE A 39 31.823 33.781 16.985 1.00 0.00 H new ATOM 0 HD2 PHE A 39 34.896 33.524 13.979 1.00 0.00 H new ATOM 0 HE1 PHE A 39 30.444 35.171 15.460 1.00 0.00 H new ATOM 0 HE2 PHE A 39 33.553 34.991 12.492 1.00 0.00 H new ATOM 0 HZ PHE A 39 31.305 35.766 13.206 1.00 0.00 H new ATOM 660 N GLY A 40 32.080 31.349 18.197 1.00 0.00 N ATOM 661 CA GLY A 40 30.721 31.370 18.756 1.00 0.00 C ATOM 662 C GLY A 40 30.472 32.466 19.795 1.00 0.00 C ATOM 663 O GLY A 40 31.411 32.975 20.409 1.00 0.00 O ATOM 0 H GLY A 40 32.805 31.646 18.850 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.009 31.494 17.940 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.516 30.402 19.213 1.00 0.00 H new ATOM 667 N PHE A 41 29.191 32.795 19.993 1.00 0.00 N ATOM 668 CA PHE A 41 28.700 33.741 21.000 1.00 0.00 C ATOM 669 C PHE A 41 27.494 33.184 21.778 1.00 0.00 C ATOM 670 O PHE A 41 26.670 32.430 21.259 1.00 0.00 O ATOM 671 CB PHE A 41 28.330 35.074 20.330 1.00 0.00 C ATOM 672 CG PHE A 41 29.508 35.956 19.958 1.00 0.00 C ATOM 673 CD1 PHE A 41 30.223 35.727 18.767 1.00 0.00 C ATOM 674 CD2 PHE A 41 29.876 37.028 20.794 1.00 0.00 C ATOM 675 CE1 PHE A 41 31.298 36.564 18.418 1.00 0.00 C ATOM 676 CE2 PHE A 41 30.932 37.882 20.426 1.00 0.00 C ATOM 677 CZ PHE A 41 31.640 37.655 19.234 1.00 0.00 C ATOM 0 H PHE A 41 28.438 32.393 19.434 1.00 0.00 H new ATOM 0 HA PHE A 41 29.503 33.904 21.719 1.00 0.00 H new ATOM 0 HB2 PHE A 41 27.755 34.862 19.428 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.676 35.631 21.001 1.00 0.00 H new ATOM 0 HD1 PHE A 41 29.946 34.908 18.121 1.00 0.00 H new ATOM 0 HD2 PHE A 41 29.346 37.195 21.720 1.00 0.00 H new ATOM 0 HE1 PHE A 41 31.863 36.367 17.519 1.00 0.00 H new ATOM 0 HE2 PHE A 41 31.199 38.714 21.061 1.00 0.00 H new ATOM 0 HZ PHE A 41 32.444 38.316 18.946 1.00 0.00 H new ATOM 687 N ILE A 42 27.366 33.606 23.031 1.00 0.00 N ATOM 688 CA ILE A 42 26.226 33.381 23.927 1.00 0.00 C ATOM 689 C ILE A 42 25.715 34.744 24.409 1.00 0.00 C ATOM 690 O ILE A 42 26.500 35.676 24.571 1.00 0.00 O ATOM 691 CB ILE A 42 26.663 32.432 25.077 1.00 0.00 C ATOM 692 CG1 ILE A 42 26.373 30.971 24.674 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.026 32.760 26.440 1.00 0.00 C ATOM 694 CD1 ILE A 42 26.984 29.921 25.612 1.00 0.00 C ATOM 0 H ILE A 42 28.101 34.150 23.482 1.00 0.00 H new ATOM 0 HA ILE A 42 25.397 32.888 23.419 1.00 0.00 H new ATOM 0 HB ILE A 42 27.734 32.581 25.218 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.294 30.824 24.638 1.00 0.00 H new ATOM 0 HG13 ILE A 42 26.751 30.803 23.665 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.382 32.052 27.188 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.303 33.772 26.737 1.00 0.00 H new ATOM 0 HG23 ILE A 42 24.941 32.689 26.361 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.731 28.923 25.255 1.00 0.00 H new ATOM 0 HD12 ILE A 42 28.068 30.036 25.630 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.588 30.057 26.618 1.00 0.00 H new ATOM 706 N GLN A 43 24.420 34.854 24.699 1.00 0.00 N ATOM 707 CA GLN A 43 23.837 35.996 25.404 1.00 0.00 C ATOM 708 C GLN A 43 22.920 35.469 26.504 1.00 0.00 C ATOM 709 O GLN A 43 21.907 34.862 26.189 1.00 0.00 O ATOM 710 CB GLN A 43 23.083 36.879 24.401 1.00 0.00 C ATOM 711 CG GLN A 43 22.573 38.179 25.042 1.00 0.00 C ATOM 712 CD GLN A 43 21.727 38.989 24.072 1.00 0.00 C ATOM 713 OE1 GLN A 43 20.506 39.049 24.169 1.00 0.00 O ATOM 714 NE2 GLN A 43 22.332 39.627 23.099 1.00 0.00 N ATOM 0 H GLN A 43 23.735 34.142 24.447 1.00 0.00 H new ATOM 0 HA GLN A 43 24.610 36.609 25.866 1.00 0.00 H new ATOM 0 HB2 GLN A 43 23.741 37.121 23.566 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.240 36.323 23.992 1.00 0.00 H new ATOM 0 HG2 GLN A 43 21.984 37.941 25.928 1.00 0.00 H new ATOM 0 HG3 GLN A 43 23.421 38.778 25.374 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.347 39.581 23.013 1.00 0.00 H new ATOM 0 HE22 GLN A 43 21.787 40.169 22.428 1.00 0.00 H new ATOM 723 N PHE A 44 23.233 35.680 27.782 1.00 0.00 N ATOM 724 CA PHE A 44 22.444 35.166 28.907 1.00 0.00 C ATOM 725 C PHE A 44 22.033 36.274 29.884 1.00 0.00 C ATOM 726 O PHE A 44 22.674 37.318 30.009 1.00 0.00 O ATOM 727 CB PHE A 44 23.190 34.031 29.643 1.00 0.00 C ATOM 728 CG PHE A 44 23.399 32.695 28.930 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.603 32.274 27.841 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.386 31.819 29.421 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.828 31.034 27.220 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.592 30.566 28.815 1.00 0.00 C ATOM 733 CZ PHE A 44 23.824 30.175 27.708 1.00 0.00 C ATOM 0 H PHE A 44 24.050 36.218 28.071 1.00 0.00 H new ATOM 0 HA PHE A 44 21.527 34.754 28.485 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.172 34.411 29.923 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.650 33.829 30.568 1.00 0.00 H new ATOM 0 HD1 PHE A 44 21.811 32.914 27.481 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.989 32.111 30.268 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.234 30.742 26.367 1.00 0.00 H new ATOM 0 HE2 PHE A 44 25.347 29.900 29.205 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.998 29.220 27.235 1.00 0.00 H new ATOM 743 N ASP A 45 20.946 36.018 30.607 1.00 0.00 N ATOM 744 CA ASP A 45 20.572 36.782 31.793 1.00 0.00 C ATOM 745 C ASP A 45 21.395 36.294 33.008 1.00 0.00 C ATOM 746 O ASP A 45 21.672 35.097 33.123 1.00 0.00 O ATOM 747 CB ASP A 45 19.044 36.684 31.948 1.00 0.00 C ATOM 748 CG ASP A 45 18.463 37.521 33.091 1.00 0.00 C ATOM 749 OD1 ASP A 45 18.957 37.446 34.232 1.00 0.00 O ATOM 750 OD2 ASP A 45 17.491 38.278 32.865 1.00 0.00 O ATOM 0 H ASP A 45 20.294 35.267 30.383 1.00 0.00 H new ATOM 0 HA ASP A 45 20.812 37.842 31.706 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.577 36.995 31.014 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.775 35.640 32.107 1.00 0.00 H new ATOM 755 N ASN A 46 21.754 37.229 33.899 1.00 0.00 N ATOM 756 CA ASN A 46 22.685 37.128 35.036 1.00 0.00 C ATOM 757 C ASN A 46 24.194 37.232 34.667 1.00 0.00 C ATOM 758 O ASN A 46 24.887 36.214 34.599 1.00 0.00 O ATOM 759 CB ASN A 46 22.309 35.924 35.924 1.00 0.00 C ATOM 760 CG ASN A 46 22.974 35.951 37.283 1.00 0.00 C ATOM 761 OD1 ASN A 46 23.965 36.633 37.505 1.00 0.00 O ATOM 762 ND2 ASN A 46 22.454 35.208 38.226 1.00 0.00 N ATOM 0 H ASN A 46 21.362 38.168 33.837 1.00 0.00 H new ATOM 0 HA ASN A 46 22.555 38.026 35.639 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.227 35.903 36.057 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.585 35.003 35.411 1.00 0.00 H new ATOM 0 HD21 ASN A 46 22.875 35.194 39.155 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.628 34.642 38.032 1.00 0.00 H new ATOM 769 N PRO A 47 24.744 38.457 34.494 1.00 0.00 N ATOM 770 CA PRO A 47 26.146 38.688 34.118 1.00 0.00 C ATOM 771 C PRO A 47 27.174 38.093 35.094 1.00 0.00 C ATOM 772 O PRO A 47 28.200 37.556 34.666 1.00 0.00 O ATOM 773 CB PRO A 47 26.319 40.213 34.043 1.00 0.00 C ATOM 774 CG PRO A 47 24.903 40.777 33.935 1.00 0.00 C ATOM 775 CD PRO A 47 24.041 39.724 34.616 1.00 0.00 C ATOM 0 HA PRO A 47 26.340 38.184 33.171 1.00 0.00 H new ATOM 0 HB2 PRO A 47 26.827 40.595 34.928 1.00 0.00 H new ATOM 0 HB3 PRO A 47 26.922 40.498 33.181 1.00 0.00 H new ATOM 0 HG2 PRO A 47 24.819 41.744 34.430 1.00 0.00 H new ATOM 0 HG3 PRO A 47 24.609 40.924 32.896 1.00 0.00 H new ATOM 0 HD2 PRO A 47 23.880 39.976 35.664 1.00 0.00 H new ATOM 0 HD3 PRO A 47 23.059 39.667 34.147 1.00 0.00 H new ATOM 783 N GLN A 48 26.923 38.150 36.406 1.00 0.00 N ATOM 784 CA GLN A 48 27.867 37.629 37.402 1.00 0.00 C ATOM 785 C GLN A 48 27.961 36.097 37.354 1.00 0.00 C ATOM 786 O GLN A 48 29.034 35.548 37.605 1.00 0.00 O ATOM 787 CB GLN A 48 27.485 38.111 38.805 1.00 0.00 C ATOM 788 CG GLN A 48 27.549 39.645 38.931 1.00 0.00 C ATOM 789 CD GLN A 48 27.160 40.137 40.321 1.00 0.00 C ATOM 790 OE1 GLN A 48 26.737 39.385 41.195 1.00 0.00 O ATOM 791 NE2 GLN A 48 27.264 41.419 40.578 1.00 0.00 N ATOM 0 H GLN A 48 26.074 38.552 36.804 1.00 0.00 H new ATOM 0 HA GLN A 48 28.855 38.019 37.157 1.00 0.00 H new ATOM 0 HB2 GLN A 48 26.477 37.770 39.042 1.00 0.00 H new ATOM 0 HB3 GLN A 48 28.155 37.660 39.537 1.00 0.00 H new ATOM 0 HG2 GLN A 48 28.559 39.983 38.700 1.00 0.00 H new ATOM 0 HG3 GLN A 48 26.886 40.094 38.192 1.00 0.00 H new ATOM 0 HE21 GLN A 48 27.614 42.056 39.862 1.00 0.00 H new ATOM 0 HE22 GLN A 48 26.995 41.779 41.494 1.00 0.00 H new ATOM 800 N SER A 49 26.887 35.405 36.953 1.00 0.00 N ATOM 801 CA SER A 49 26.923 33.959 36.684 1.00 0.00 C ATOM 802 C SER A 49 27.746 33.600 35.443 1.00 0.00 C ATOM 803 O SER A 49 28.451 32.594 35.439 1.00 0.00 O ATOM 804 CB SER A 49 25.508 33.399 36.542 1.00 0.00 C ATOM 805 OG SER A 49 24.958 33.671 35.269 1.00 0.00 O ATOM 0 H SER A 49 25.971 35.829 36.806 1.00 0.00 H new ATOM 0 HA SER A 49 27.416 33.503 37.543 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.526 32.322 36.707 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.869 33.829 37.313 1.00 0.00 H new ATOM 0 HG SER A 49 25.030 34.630 35.080 1.00 0.00 H new ATOM 811 N VAL A 50 27.721 34.452 34.409 1.00 0.00 N ATOM 812 CA VAL A 50 28.529 34.275 33.194 1.00 0.00 C ATOM 813 C VAL A 50 30.013 34.450 33.531 1.00 0.00 C ATOM 814 O VAL A 50 30.833 33.647 33.095 1.00 0.00 O ATOM 815 CB VAL A 50 28.061 35.233 32.078 1.00 0.00 C ATOM 816 CG1 VAL A 50 28.875 35.066 30.794 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.595 34.987 31.695 1.00 0.00 C ATOM 0 H VAL A 50 27.137 35.288 34.392 1.00 0.00 H new ATOM 0 HA VAL A 50 28.392 33.264 32.811 1.00 0.00 H new ATOM 0 HB VAL A 50 28.195 36.233 32.489 1.00 0.00 H new ATOM 0 HG11 VAL A 50 28.509 35.761 30.038 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.925 35.273 30.999 1.00 0.00 H new ATOM 0 HG13 VAL A 50 28.772 34.044 30.428 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.304 35.681 30.907 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.479 33.963 31.339 1.00 0.00 H new ATOM 0 HG23 VAL A 50 25.960 35.142 32.567 1.00 0.00 H new ATOM 827 N ARG A 51 30.365 35.419 34.390 1.00 0.00 N ATOM 828 CA ARG A 51 31.729 35.532 34.937 1.00 0.00 C ATOM 829 C ARG A 51 32.098 34.352 35.843 1.00 0.00 C ATOM 830 O ARG A 51 33.213 33.852 35.724 1.00 0.00 O ATOM 831 CB ARG A 51 31.914 36.885 35.645 1.00 0.00 C ATOM 832 CG ARG A 51 33.298 37.068 36.298 1.00 0.00 C ATOM 833 CD ARG A 51 34.515 36.879 35.381 1.00 0.00 C ATOM 834 NE ARG A 51 35.752 36.837 36.180 1.00 0.00 N ATOM 835 CZ ARG A 51 36.886 36.264 35.827 1.00 0.00 C ATOM 836 NH1 ARG A 51 37.159 35.909 34.610 1.00 0.00 N ATOM 837 NH2 ARG A 51 37.798 36.008 36.705 1.00 0.00 N ATOM 0 H ARG A 51 29.723 36.138 34.723 1.00 0.00 H new ATOM 0 HA ARG A 51 32.425 35.491 34.099 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.756 37.686 34.923 1.00 0.00 H new ATOM 0 HB3 ARG A 51 31.146 36.990 36.411 1.00 0.00 H new ATOM 0 HG2 ARG A 51 33.344 38.070 36.726 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.381 36.364 37.126 1.00 0.00 H new ATOM 0 HD2 ARG A 51 34.410 35.956 34.811 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.567 37.695 34.660 1.00 0.00 H new ATOM 0 HE ARG A 51 35.729 37.294 37.092 1.00 0.00 H new ATOM 0 HH11 ARG A 51 36.479 36.070 33.867 1.00 0.00 H new ATOM 0 HH12 ARG A 51 38.054 35.469 34.396 1.00 0.00 H new ATOM 0 HH21 ARG A 51 37.645 36.249 37.684 1.00 0.00 H new ATOM 0 HH22 ARG A 51 38.671 35.564 36.419 1.00 0.00 H new ATOM 851 N ASP A 52 31.180 33.863 36.684 1.00 0.00 N ATOM 852 CA ASP A 52 31.428 32.678 37.524 1.00 0.00 C ATOM 853 C ASP A 52 31.747 31.447 36.666 1.00 0.00 C ATOM 854 O ASP A 52 32.640 30.665 36.985 1.00 0.00 O ATOM 855 CB ASP A 52 30.241 32.375 38.449 1.00 0.00 C ATOM 856 CG ASP A 52 30.622 31.336 39.509 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.658 31.512 40.192 1.00 0.00 O ATOM 858 OD2 ASP A 52 29.842 30.383 39.754 1.00 0.00 O ATOM 0 H ASP A 52 30.252 34.270 36.804 1.00 0.00 H new ATOM 0 HA ASP A 52 32.293 32.909 38.145 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.911 33.293 38.936 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.401 32.007 37.860 1.00 0.00 H new ATOM 863 N ALA A 53 31.064 31.307 35.532 1.00 0.00 N ATOM 864 CA ALA A 53 31.322 30.255 34.565 1.00 0.00 C ATOM 865 C ALA A 53 32.667 30.441 33.826 1.00 0.00 C ATOM 866 O ALA A 53 33.341 29.446 33.558 1.00 0.00 O ATOM 867 CB ALA A 53 30.105 30.182 33.645 1.00 0.00 C ATOM 0 H ALA A 53 30.306 31.933 35.260 1.00 0.00 H new ATOM 0 HA ALA A 53 31.448 29.294 35.064 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.258 29.401 32.900 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.217 29.953 34.234 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.970 31.140 33.143 1.00 0.00 H new ATOM 873 N ILE A 54 33.137 31.676 33.574 1.00 0.00 N ATOM 874 CA ILE A 54 34.503 31.921 33.058 1.00 0.00 C ATOM 875 C ILE A 54 35.548 31.452 34.072 1.00 0.00 C ATOM 876 O ILE A 54 36.423 30.667 33.714 1.00 0.00 O ATOM 877 CB ILE A 54 34.739 33.396 32.643 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.874 33.743 31.415 1.00 0.00 C ATOM 879 CG2 ILE A 54 36.219 33.677 32.302 1.00 0.00 C ATOM 880 CD1 ILE A 54 34.013 35.186 30.932 1.00 0.00 C ATOM 0 H ILE A 54 32.591 32.525 33.719 1.00 0.00 H new ATOM 0 HA ILE A 54 34.610 31.333 32.146 1.00 0.00 H new ATOM 0 HB ILE A 54 34.460 34.015 33.496 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.139 33.072 30.598 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.828 33.553 31.657 1.00 0.00 H new ATOM 0 HG21 ILE A 54 36.335 34.723 32.017 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.839 33.468 33.173 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.529 33.039 31.474 1.00 0.00 H new ATOM 0 HD11 ILE A 54 33.371 35.343 30.066 1.00 0.00 H new ATOM 0 HD12 ILE A 54 33.718 35.867 31.731 1.00 0.00 H new ATOM 0 HD13 ILE A 54 35.049 35.379 30.655 1.00 0.00 H new ATOM 892 N GLU A 55 35.450 31.848 35.341 1.00 0.00 N ATOM 893 CA GLU A 55 36.406 31.384 36.358 1.00 0.00 C ATOM 894 C GLU A 55 36.262 29.882 36.696 1.00 0.00 C ATOM 895 O GLU A 55 37.159 29.310 37.317 1.00 0.00 O ATOM 896 CB GLU A 55 36.374 32.288 37.603 1.00 0.00 C ATOM 897 CG GLU A 55 35.041 32.260 38.348 1.00 0.00 C ATOM 898 CD GLU A 55 35.133 32.914 39.724 1.00 0.00 C ATOM 899 OE1 GLU A 55 35.319 34.148 39.834 1.00 0.00 O ATOM 900 OE2 GLU A 55 35.015 32.188 40.741 1.00 0.00 O ATOM 0 H GLU A 55 34.730 32.480 35.691 1.00 0.00 H new ATOM 0 HA GLU A 55 37.400 31.473 35.920 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.167 31.981 38.284 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.591 33.313 37.302 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.285 32.773 37.754 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.712 31.227 38.460 1.00 0.00 H new ATOM 907 N CYS A 56 35.178 29.224 36.260 1.00 0.00 N ATOM 908 CA CYS A 56 34.938 27.788 36.434 1.00 0.00 C ATOM 909 C CYS A 56 35.327 26.914 35.219 1.00 0.00 C ATOM 910 O CYS A 56 35.695 25.754 35.404 1.00 0.00 O ATOM 911 CB CYS A 56 33.468 27.585 36.822 1.00 0.00 C ATOM 912 SG CYS A 56 33.312 25.991 37.669 1.00 0.00 S ATOM 0 H CYS A 56 34.422 29.693 35.761 1.00 0.00 H new ATOM 0 HA CYS A 56 35.600 27.444 37.228 1.00 0.00 H new ATOM 0 HB2 CYS A 56 33.133 28.394 37.472 1.00 0.00 H new ATOM 0 HB3 CYS A 56 32.836 27.606 35.934 1.00 0.00 H new ATOM 0 HG CYS A 56 32.072 25.800 38.009 1.00 0.00 H new ATOM 918 N GLU A 57 35.277 27.437 33.990 1.00 0.00 N ATOM 919 CA GLU A 57 35.674 26.743 32.748 1.00 0.00 C ATOM 920 C GLU A 57 36.976 27.300 32.172 1.00 0.00 C ATOM 921 O GLU A 57 37.950 26.567 31.998 1.00 0.00 O ATOM 922 CB GLU A 57 34.588 26.890 31.668 1.00 0.00 C ATOM 923 CG GLU A 57 33.292 26.122 31.941 1.00 0.00 C ATOM 924 CD GLU A 57 33.470 24.603 31.889 1.00 0.00 C ATOM 925 OE1 GLU A 57 34.417 24.085 31.249 1.00 0.00 O ATOM 926 OE2 GLU A 57 32.630 23.894 32.491 1.00 0.00 O ATOM 0 H GLU A 57 34.949 28.388 33.820 1.00 0.00 H new ATOM 0 HA GLU A 57 35.813 25.696 33.016 1.00 0.00 H new ATOM 0 HB2 GLU A 57 34.349 27.948 31.557 1.00 0.00 H new ATOM 0 HB3 GLU A 57 34.997 26.554 30.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 32.910 26.403 32.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 32.540 26.419 31.210 1.00 0.00 H new ATOM 933 N SER A 58 37.014 28.611 31.909 1.00 0.00 N ATOM 934 CA SER A 58 38.140 29.304 31.269 1.00 0.00 C ATOM 935 C SER A 58 39.415 29.282 32.110 1.00 0.00 C ATOM 936 O SER A 58 40.483 29.591 31.595 1.00 0.00 O ATOM 937 CB SER A 58 37.783 30.767 30.993 1.00 0.00 C ATOM 938 OG SER A 58 38.350 31.200 29.778 1.00 0.00 O ATOM 0 H SER A 58 36.243 29.237 32.141 1.00 0.00 H new ATOM 0 HA SER A 58 38.330 28.764 30.342 1.00 0.00 H new ATOM 0 HB2 SER A 58 36.700 30.881 30.955 1.00 0.00 H new ATOM 0 HB3 SER A 58 38.141 31.394 31.810 1.00 0.00 H new ATOM 0 HG SER A 58 39.288 30.920 29.737 1.00 0.00 H new ATOM 944 N GLN A 59 39.307 28.929 33.392 1.00 0.00 N ATOM 945 CA GLN A 59 40.406 28.858 34.356 1.00 0.00 C ATOM 946 C GLN A 59 40.524 27.472 35.025 1.00 0.00 C ATOM 947 O GLN A 59 41.274 27.310 35.987 1.00 0.00 O ATOM 948 CB GLN A 59 40.211 30.013 35.352 1.00 0.00 C ATOM 949 CG GLN A 59 41.509 30.499 36.015 1.00 0.00 C ATOM 950 CD GLN A 59 41.277 31.764 36.836 1.00 0.00 C ATOM 951 OE1 GLN A 59 40.155 32.157 37.136 1.00 0.00 O ATOM 952 NE2 GLN A 59 42.315 32.455 37.228 1.00 0.00 N ATOM 0 H GLN A 59 38.410 28.673 33.805 1.00 0.00 H new ATOM 0 HA GLN A 59 41.365 28.976 33.851 1.00 0.00 H new ATOM 0 HB2 GLN A 59 39.746 30.851 34.833 1.00 0.00 H new ATOM 0 HB3 GLN A 59 39.517 29.694 36.129 1.00 0.00 H new ATOM 0 HG2 GLN A 59 41.906 29.714 36.658 1.00 0.00 H new ATOM 0 HG3 GLN A 59 42.260 30.694 35.249 1.00 0.00 H new ATOM 0 HE21 GLN A 59 43.256 32.143 36.988 1.00 0.00 H new ATOM 0 HE22 GLN A 59 42.184 33.306 37.774 1.00 0.00 H new ATOM 1097 N ILE A 68 40.241 30.603 26.586 1.00 0.00 N ATOM 1098 CA ILE A 68 39.812 32.000 26.452 1.00 0.00 C ATOM 1099 C ILE A 68 38.291 32.039 26.267 1.00 0.00 C ATOM 1100 O ILE A 68 37.756 31.616 25.243 1.00 0.00 O ATOM 1101 CB ILE A 68 40.573 32.718 25.306 1.00 0.00 C ATOM 1102 CG1 ILE A 68 42.059 33.042 25.611 1.00 0.00 C ATOM 1103 CG2 ILE A 68 39.913 34.067 24.948 1.00 0.00 C ATOM 1104 CD1 ILE A 68 42.964 31.876 26.032 1.00 0.00 C ATOM 0 HA ILE A 68 40.060 32.549 27.361 1.00 0.00 H new ATOM 0 HB ILE A 68 40.526 31.998 24.489 1.00 0.00 H new ATOM 0 HG12 ILE A 68 42.493 33.501 24.723 1.00 0.00 H new ATOM 0 HG13 ILE A 68 42.085 33.791 26.402 1.00 0.00 H new ATOM 0 HG21 ILE A 68 40.472 34.543 24.142 1.00 0.00 H new ATOM 0 HG22 ILE A 68 38.886 33.895 24.626 1.00 0.00 H new ATOM 0 HG23 ILE A 68 39.915 34.717 25.823 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.973 32.246 26.213 1.00 0.00 H new ATOM 0 HD12 ILE A 68 42.574 31.424 26.944 1.00 0.00 H new ATOM 0 HD13 ILE A 68 42.988 31.129 25.238 1.00 0.00 H new ATOM 1116 N LEU A 69 37.610 32.606 27.256 1.00 0.00 N ATOM 1117 CA LEU A 69 36.208 33.025 27.241 1.00 0.00 C ATOM 1118 C LEU A 69 36.153 34.479 27.744 1.00 0.00 C ATOM 1119 O LEU A 69 36.990 34.862 28.569 1.00 0.00 O ATOM 1120 CB LEU A 69 35.377 32.087 28.144 1.00 0.00 C ATOM 1121 CG LEU A 69 35.464 30.576 27.842 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.658 29.780 28.872 1.00 0.00 C ATOM 1123 CD2 LEU A 69 34.883 30.216 26.478 1.00 0.00 C ATOM 0 H LEU A 69 38.052 32.800 28.155 1.00 0.00 H new ATOM 0 HA LEU A 69 35.789 32.970 26.236 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.688 32.246 29.177 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.332 32.388 28.076 1.00 0.00 H new ATOM 0 HG LEU A 69 36.526 30.330 27.870 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.729 28.716 28.646 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.057 29.967 29.869 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.614 30.090 28.835 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.970 29.141 26.318 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.832 30.504 26.442 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.431 30.745 25.698 1.00 0.00 H new ATOM 1135 N GLU A 70 35.208 35.297 27.272 1.00 0.00 N ATOM 1136 CA GLU A 70 35.113 36.710 27.677 1.00 0.00 C ATOM 1137 C GLU A 70 33.675 37.225 27.839 1.00 0.00 C ATOM 1138 O GLU A 70 32.860 37.107 26.923 1.00 0.00 O ATOM 1139 CB GLU A 70 35.889 37.586 26.677 1.00 0.00 C ATOM 1140 CG GLU A 70 35.869 39.085 27.017 1.00 0.00 C ATOM 1141 CD GLU A 70 36.639 39.408 28.300 1.00 0.00 C ATOM 1142 OE1 GLU A 70 36.312 38.880 29.387 1.00 0.00 O ATOM 1143 OE2 GLU A 70 37.606 40.200 28.238 1.00 0.00 O ATOM 0 H GLU A 70 34.493 35.007 26.605 1.00 0.00 H new ATOM 0 HA GLU A 70 35.558 36.777 28.670 1.00 0.00 H new ATOM 0 HB2 GLU A 70 36.924 37.246 26.638 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.469 37.443 25.681 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.299 39.647 26.188 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.836 39.416 27.125 1.00 0.00 H new ATOM 1150 N VAL A 71 33.386 37.871 28.974 1.00 0.00 N ATOM 1151 CA VAL A 71 32.049 38.362 29.362 1.00 0.00 C ATOM 1152 C VAL A 71 31.904 39.874 29.190 1.00 0.00 C ATOM 1153 O VAL A 71 32.790 40.647 29.565 1.00 0.00 O ATOM 1154 CB VAL A 71 31.687 37.920 30.796 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.632 38.477 31.870 1.00 0.00 C ATOM 1156 CG2 VAL A 71 30.252 38.285 31.180 1.00 0.00 C ATOM 0 H VAL A 71 34.098 38.076 29.675 1.00 0.00 H new ATOM 0 HA VAL A 71 31.336 37.904 28.677 1.00 0.00 H new ATOM 0 HB VAL A 71 31.795 36.836 30.770 1.00 0.00 H new ATOM 0 HG11 VAL A 71 32.315 38.124 32.852 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.648 38.136 31.672 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.604 39.566 31.850 1.00 0.00 H new ATOM 0 HG21 VAL A 71 30.052 37.951 32.198 1.00 0.00 H new ATOM 0 HG22 VAL A 71 30.123 39.366 31.121 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.557 37.799 30.495 1.00 0.00 H new ATOM 1166 N SER A 72 30.752 40.314 28.688 1.00 0.00 N ATOM 1167 CA SER A 72 30.427 41.726 28.472 1.00 0.00 C ATOM 1168 C SER A 72 29.018 42.087 28.941 1.00 0.00 C ATOM 1169 O SER A 72 28.087 41.278 28.861 1.00 0.00 O ATOM 1170 CB SER A 72 30.584 42.054 26.987 1.00 0.00 C ATOM 1171 OG SER A 72 30.570 43.453 26.763 1.00 0.00 O ATOM 0 H SER A 72 29.998 39.684 28.413 1.00 0.00 H new ATOM 0 HA SER A 72 31.118 42.320 29.070 1.00 0.00 H new ATOM 0 HB2 SER A 72 31.519 41.634 26.617 1.00 0.00 H new ATOM 0 HB3 SER A 72 29.778 41.585 26.422 1.00 0.00 H new ATOM 0 HG SER A 72 30.674 43.632 25.805 1.00 0.00 H new ATOM 1177 N SER A 73 28.855 43.331 29.387 1.00 0.00 N ATOM 1178 CA SER A 73 27.559 43.976 29.642 1.00 0.00 C ATOM 1179 C SER A 73 27.486 45.399 29.063 1.00 0.00 C ATOM 1180 O SER A 73 26.626 46.201 29.435 1.00 0.00 O ATOM 1181 CB SER A 73 27.248 43.948 31.139 1.00 0.00 C ATOM 1182 OG SER A 73 28.188 44.738 31.843 1.00 0.00 O ATOM 0 H SER A 73 29.646 43.943 29.589 1.00 0.00 H new ATOM 0 HA SER A 73 26.791 43.406 29.120 1.00 0.00 H new ATOM 0 HB2 SER A 73 26.240 44.323 31.317 1.00 0.00 H new ATOM 0 HB3 SER A 73 27.276 42.922 31.506 1.00 0.00 H new ATOM 0 HG SER A 73 27.981 44.717 32.801 1.00 0.00 H new