USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 583 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 25 TYR OH : rot -13:sc= 0.819 USER MOD Set 1.2: A 50 GLN : amide:sc= 0.824 K(o=1.6,f=-0.54) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0177 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 140:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.538 K(o=-0.54,f=-1.7) USER MOD Single : A 11 ASN : amide:sc= -0.009 X(o=-0.009,f=-0.009) USER MOD Single : A 12 GLN : amide:sc= 0.444 K(o=0.44,f=-0.9) USER MOD Single : A 18 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0.068 USER MOD Single : A 36 GLN : amide:sc= 0.811 K(o=0.81,f=-0.21) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.58 (180deg=-1.56!) USER MOD Single : A 39 ASN : amide:sc= -0.125 K(o=-0.12,f=-1.8!) USER MOD Single : A 46 GLN : amide:sc= -0.0866 X(o=-0.087,f=-0.069) USER MOD Single : A 51 ASN : amide:sc= 0.714 K(o=0.71,f=-0.07) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -60:sc= 1.21 USER MOD Single : A 60 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl 173:sc=-0.00212 (180deg=-0.0944) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.534 40.884 15.108 1.00 0.00 N ATOM 2 CA GLY A 1 32.029 39.513 15.263 1.00 0.00 C ATOM 3 C GLY A 1 30.547 39.511 15.582 1.00 0.00 C ATOM 4 O GLY A 1 30.061 40.388 16.299 1.00 0.00 O ATOM 0 H1 GLY A 1 32.670 41.092 14.098 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.848 41.554 15.510 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.442 40.978 15.606 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.208 38.950 14.347 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.576 39.008 16.059 1.00 0.00 H new ATOM 10 N ARG A 2 29.823 38.524 15.047 1.00 0.00 N ATOM 11 CA ARG A 2 28.360 38.346 15.133 1.00 0.00 C ATOM 12 C ARG A 2 27.961 36.900 15.490 1.00 0.00 C ATOM 13 O ARG A 2 28.823 36.104 15.847 1.00 0.00 O ATOM 14 CB ARG A 2 27.745 38.864 13.815 1.00 0.00 C ATOM 15 CG ARG A 2 27.392 40.351 13.948 1.00 0.00 C ATOM 16 CD ARG A 2 26.953 40.973 12.622 1.00 0.00 C ATOM 17 NE ARG A 2 26.295 42.265 12.865 1.00 0.00 N ATOM 18 CZ ARG A 2 25.011 42.558 12.783 1.00 0.00 C ATOM 19 NH1 ARG A 2 24.104 41.696 12.421 1.00 0.00 N ATOM 20 NH2 ARG A 2 24.597 43.752 13.086 1.00 0.00 N ATOM 0 H ARG A 2 30.264 37.779 14.508 1.00 0.00 H new ATOM 0 HA ARG A 2 27.955 38.931 15.959 1.00 0.00 H new ATOM 0 HB2 ARG A 2 28.449 38.721 12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 2 26.851 38.290 13.571 1.00 0.00 H new ATOM 0 HG2 ARG A 2 26.594 40.467 14.681 1.00 0.00 H new ATOM 0 HG3 ARG A 2 28.257 40.893 14.330 1.00 0.00 H new ATOM 0 HD2 ARG A 2 27.817 41.112 11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 2 26.270 40.300 12.104 1.00 0.00 H new ATOM 0 HE ARG A 2 26.910 43.034 13.131 1.00 0.00 H new ATOM 0 HH11 ARG A 2 24.374 40.741 12.184 1.00 0.00 H new ATOM 0 HH12 ARG A 2 23.124 41.976 12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 2 25.264 44.462 13.387 1.00 0.00 H new ATOM 0 HH22 ARG A 2 23.605 43.979 13.023 1.00 0.00 H new ATOM 34 N ARG A 3 26.645 36.617 15.523 1.00 0.00 N ATOM 35 CA ARG A 3 25.943 35.371 15.946 1.00 0.00 C ATOM 36 C ARG A 3 26.834 34.298 16.621 1.00 0.00 C ATOM 37 O ARG A 3 27.112 33.255 16.023 1.00 0.00 O ATOM 38 CB ARG A 3 25.154 34.803 14.746 1.00 0.00 C ATOM 39 CG ARG A 3 23.775 35.458 14.600 1.00 0.00 C ATOM 40 CD ARG A 3 23.091 34.956 13.323 1.00 0.00 C ATOM 41 NE ARG A 3 21.680 35.376 13.254 1.00 0.00 N ATOM 42 CZ ARG A 3 21.062 35.955 12.242 1.00 0.00 C ATOM 43 NH1 ARG A 3 21.688 36.455 11.220 1.00 0.00 N ATOM 44 NH2 ARG A 3 19.766 36.023 12.271 1.00 0.00 N ATOM 0 H ARG A 3 25.970 37.322 15.225 1.00 0.00 H new ATOM 0 HA ARG A 3 25.259 35.658 16.745 1.00 0.00 H new ATOM 0 HB2 ARG A 3 25.726 34.956 13.831 1.00 0.00 H new ATOM 0 HB3 ARG A 3 25.032 33.727 14.869 1.00 0.00 H new ATOM 0 HG2 ARG A 3 23.159 35.226 15.468 1.00 0.00 H new ATOM 0 HG3 ARG A 3 23.880 36.542 14.565 1.00 0.00 H new ATOM 0 HD2 ARG A 3 23.626 35.335 12.452 1.00 0.00 H new ATOM 0 HD3 ARG A 3 23.148 33.868 13.284 1.00 0.00 H new ATOM 0 HE ARG A 3 21.116 35.199 14.085 1.00 0.00 H new ATOM 0 HH11 ARG A 3 22.706 36.411 11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 3 21.162 36.892 10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 3 19.253 35.635 13.062 1.00 0.00 H new ATOM 0 HH22 ARG A 3 19.261 36.465 11.503 1.00 0.00 H new ATOM 58 N PRO A 4 27.235 34.486 17.898 1.00 0.00 N ATOM 59 CA PRO A 4 28.184 33.610 18.600 1.00 0.00 C ATOM 60 C PRO A 4 27.558 32.292 19.115 1.00 0.00 C ATOM 61 O PRO A 4 27.735 31.902 20.270 1.00 0.00 O ATOM 62 CB PRO A 4 28.760 34.498 19.714 1.00 0.00 C ATOM 63 CG PRO A 4 27.571 35.377 20.089 1.00 0.00 C ATOM 64 CD PRO A 4 26.926 35.644 18.729 1.00 0.00 C ATOM 0 HA PRO A 4 28.961 33.239 17.932 1.00 0.00 H new ATOM 0 HB2 PRO A 4 29.111 33.909 20.561 1.00 0.00 H new ATOM 0 HB3 PRO A 4 29.606 35.089 19.364 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.889 34.870 20.771 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.884 36.299 20.579 1.00 0.00 H new ATOM 0 HD2 PRO A 4 25.849 35.776 18.828 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.319 36.558 18.284 1.00 0.00 H new ATOM 72 N ARG A 5 26.824 31.572 18.256 1.00 0.00 N ATOM 73 CA ARG A 5 26.243 30.250 18.558 1.00 0.00 C ATOM 74 C ARG A 5 27.356 29.243 18.878 1.00 0.00 C ATOM 75 O ARG A 5 28.128 28.844 18.010 1.00 0.00 O ATOM 76 CB ARG A 5 25.244 29.804 17.465 1.00 0.00 C ATOM 77 CG ARG A 5 25.824 29.351 16.114 1.00 0.00 C ATOM 78 CD ARG A 5 25.915 27.817 16.019 1.00 0.00 C ATOM 79 NE ARG A 5 26.691 27.416 14.837 1.00 0.00 N ATOM 80 CZ ARG A 5 26.849 26.199 14.353 1.00 0.00 C ATOM 81 NH1 ARG A 5 26.240 25.146 14.820 1.00 0.00 N ATOM 82 NH2 ARG A 5 27.660 26.034 13.351 1.00 0.00 N ATOM 0 H ARG A 5 26.611 31.896 17.312 1.00 0.00 H new ATOM 0 HA ARG A 5 25.635 30.312 19.461 1.00 0.00 H new ATOM 0 HB2 ARG A 5 24.649 28.984 17.867 1.00 0.00 H new ATOM 0 HB3 ARG A 5 24.560 30.632 17.277 1.00 0.00 H new ATOM 0 HG2 ARG A 5 25.200 29.729 15.305 1.00 0.00 H new ATOM 0 HG3 ARG A 5 26.816 29.783 15.980 1.00 0.00 H new ATOM 0 HD2 ARG A 5 26.382 27.419 16.920 1.00 0.00 H new ATOM 0 HD3 ARG A 5 24.913 27.391 15.965 1.00 0.00 H new ATOM 0 HE ARG A 5 27.162 28.166 14.332 1.00 0.00 H new ATOM 0 HH11 ARG A 5 25.596 25.236 15.606 1.00 0.00 H new ATOM 0 HH12 ARG A 5 26.407 24.232 14.399 1.00 0.00 H new ATOM 0 HH21 ARG A 5 28.155 26.835 12.959 1.00 0.00 H new ATOM 0 HH22 ARG A 5 27.801 25.104 12.957 1.00 0.00 H new ATOM 96 N THR A 6 27.526 28.931 20.159 1.00 0.00 N ATOM 97 CA THR A 6 28.636 28.100 20.646 1.00 0.00 C ATOM 98 C THR A 6 28.451 26.637 20.228 1.00 0.00 C ATOM 99 O THR A 6 27.354 26.087 20.334 1.00 0.00 O ATOM 100 CB THR A 6 28.756 28.214 22.173 1.00 0.00 C ATOM 101 OG1 THR A 6 28.857 29.572 22.548 1.00 0.00 O ATOM 102 CG2 THR A 6 30.017 27.526 22.689 1.00 0.00 C ATOM 0 H THR A 6 26.897 29.247 20.897 1.00 0.00 H new ATOM 0 HA THR A 6 29.559 28.464 20.195 1.00 0.00 H new ATOM 0 HB THR A 6 27.869 27.742 22.596 1.00 0.00 H new ATOM 0 HG1 THR A 6 28.328 29.728 23.358 1.00 0.00 H new ATOM 0 HG21 THR A 6 30.069 27.627 23.773 1.00 0.00 H new ATOM 0 HG22 THR A 6 29.989 26.469 22.424 1.00 0.00 H new ATOM 0 HG23 THR A 6 30.895 27.990 22.239 1.00 0.00 H new ATOM 110 N ALA A 7 29.522 26.000 19.749 1.00 0.00 N ATOM 111 CA ALA A 7 29.541 24.607 19.302 1.00 0.00 C ATOM 112 C ALA A 7 30.742 23.863 19.909 1.00 0.00 C ATOM 113 O ALA A 7 31.889 24.286 19.758 1.00 0.00 O ATOM 114 CB ALA A 7 29.551 24.586 17.769 1.00 0.00 C ATOM 0 H ALA A 7 30.430 26.456 19.659 1.00 0.00 H new ATOM 0 HA ALA A 7 28.649 24.084 19.647 1.00 0.00 H new ATOM 0 HB1 ALA A 7 29.565 23.554 17.419 1.00 0.00 H new ATOM 0 HB2 ALA A 7 28.658 25.084 17.392 1.00 0.00 H new ATOM 0 HB3 ALA A 7 30.437 25.105 17.404 1.00 0.00 H new ATOM 120 N PHE A 8 30.474 22.777 20.632 1.00 0.00 N ATOM 121 CA PHE A 8 31.459 21.921 21.296 1.00 0.00 C ATOM 122 C PHE A 8 31.861 20.708 20.432 1.00 0.00 C ATOM 123 O PHE A 8 31.521 20.603 19.254 1.00 0.00 O ATOM 124 CB PHE A 8 30.867 21.461 22.640 1.00 0.00 C ATOM 125 CG PHE A 8 30.054 22.500 23.393 1.00 0.00 C ATOM 126 CD1 PHE A 8 30.672 23.660 23.899 1.00 0.00 C ATOM 127 CD2 PHE A 8 28.672 22.312 23.550 1.00 0.00 C ATOM 128 CE1 PHE A 8 29.898 24.628 24.560 1.00 0.00 C ATOM 129 CE2 PHE A 8 27.899 23.293 24.184 1.00 0.00 C ATOM 130 CZ PHE A 8 28.510 24.443 24.695 1.00 0.00 C ATOM 0 H PHE A 8 29.518 22.453 20.779 1.00 0.00 H new ATOM 0 HA PHE A 8 32.372 22.495 21.457 1.00 0.00 H new ATOM 0 HB2 PHE A 8 30.234 20.593 22.459 1.00 0.00 H new ATOM 0 HB3 PHE A 8 31.684 21.131 23.282 1.00 0.00 H new ATOM 0 HD1 PHE A 8 31.736 23.805 23.779 1.00 0.00 H new ATOM 0 HD2 PHE A 8 28.204 21.411 23.182 1.00 0.00 H new ATOM 0 HE1 PHE A 8 30.368 25.513 24.964 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.831 23.162 24.278 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.914 25.192 25.195 1.00 0.00 H new ATOM 140 N THR A 9 32.578 19.757 21.031 1.00 0.00 N ATOM 141 CA THR A 9 32.687 18.392 20.488 1.00 0.00 C ATOM 142 C THR A 9 31.415 17.574 20.752 1.00 0.00 C ATOM 143 O THR A 9 30.728 17.811 21.748 1.00 0.00 O ATOM 144 CB THR A 9 33.914 17.671 21.057 1.00 0.00 C ATOM 145 OG1 THR A 9 34.074 16.479 20.324 1.00 0.00 O ATOM 146 CG2 THR A 9 33.837 17.360 22.556 1.00 0.00 C ATOM 0 H THR A 9 33.097 19.903 21.897 1.00 0.00 H new ATOM 0 HA THR A 9 32.808 18.483 19.409 1.00 0.00 H new ATOM 0 HB THR A 9 34.768 18.341 20.957 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.854 15.990 20.661 1.00 0.00 H new ATOM 0 HG21 THR A 9 34.748 16.850 22.869 1.00 0.00 H new ATOM 0 HG22 THR A 9 33.731 18.289 23.115 1.00 0.00 H new ATOM 0 HG23 THR A 9 32.977 16.719 22.751 1.00 0.00 H new ATOM 154 N GLN A 10 31.118 16.570 19.917 1.00 0.00 N ATOM 155 CA GLN A 10 29.932 15.718 20.053 1.00 0.00 C ATOM 156 C GLN A 10 29.817 15.077 21.442 1.00 0.00 C ATOM 157 O GLN A 10 28.751 15.113 22.037 1.00 0.00 O ATOM 158 CB GLN A 10 29.879 14.693 18.898 1.00 0.00 C ATOM 159 CG GLN A 10 30.830 13.474 18.977 1.00 0.00 C ATOM 160 CD GLN A 10 30.340 12.342 19.890 1.00 0.00 C ATOM 161 OE1 GLN A 10 29.158 12.133 20.098 1.00 0.00 O ATOM 162 NE2 GLN A 10 31.226 11.583 20.498 1.00 0.00 N ATOM 0 H GLN A 10 31.703 16.324 19.118 1.00 0.00 H new ATOM 0 HA GLN A 10 29.048 16.350 19.971 1.00 0.00 H new ATOM 0 HB2 GLN A 10 28.858 14.318 18.828 1.00 0.00 H new ATOM 0 HB3 GLN A 10 30.089 15.223 17.969 1.00 0.00 H new ATOM 0 HG2 GLN A 10 30.975 13.076 17.972 1.00 0.00 H new ATOM 0 HG3 GLN A 10 31.805 13.812 19.330 1.00 0.00 H new ATOM 0 HE21 GLN A 10 32.222 11.737 20.342 1.00 0.00 H new ATOM 0 HE22 GLN A 10 30.917 10.841 21.126 1.00 0.00 H new ATOM 171 N ASN A 11 30.924 14.620 22.035 1.00 0.00 N ATOM 172 CA ASN A 11 30.930 14.009 23.370 1.00 0.00 C ATOM 173 C ASN A 11 30.510 14.965 24.521 1.00 0.00 C ATOM 174 O ASN A 11 30.281 14.513 25.638 1.00 0.00 O ATOM 175 CB ASN A 11 32.318 13.380 23.575 1.00 0.00 C ATOM 176 CG ASN A 11 32.407 12.492 24.801 1.00 0.00 C ATOM 177 OD1 ASN A 11 33.213 12.726 25.693 1.00 0.00 O ATOM 178 ND2 ASN A 11 31.659 11.416 24.857 1.00 0.00 N ATOM 0 H ASN A 11 31.846 14.663 21.601 1.00 0.00 H new ATOM 0 HA ASN A 11 30.156 13.243 23.414 1.00 0.00 H new ATOM 0 HB2 ASN A 11 32.576 12.794 22.693 1.00 0.00 H new ATOM 0 HB3 ASN A 11 33.059 14.175 23.658 1.00 0.00 H new ATOM 0 HD21 ASN A 11 31.748 10.773 25.644 1.00 0.00 H new ATOM 0 HD22 ASN A 11 30.988 11.222 24.114 1.00 0.00 H new ATOM 185 N GLN A 12 30.376 16.269 24.249 1.00 0.00 N ATOM 186 CA GLN A 12 29.768 17.281 25.122 1.00 0.00 C ATOM 187 C GLN A 12 28.337 17.627 24.684 1.00 0.00 C ATOM 188 O GLN A 12 27.469 17.801 25.539 1.00 0.00 O ATOM 189 CB GLN A 12 30.673 18.520 25.098 1.00 0.00 C ATOM 190 CG GLN A 12 30.221 19.662 26.024 1.00 0.00 C ATOM 191 CD GLN A 12 31.454 20.298 26.643 1.00 0.00 C ATOM 192 OE1 GLN A 12 32.069 19.735 27.533 1.00 0.00 O ATOM 193 NE2 GLN A 12 31.906 21.434 26.169 1.00 0.00 N ATOM 0 H GLN A 12 30.705 16.667 23.370 1.00 0.00 H new ATOM 0 HA GLN A 12 29.686 16.892 26.137 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.683 18.221 25.378 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.724 18.897 24.076 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.654 20.404 25.461 1.00 0.00 H new ATOM 0 HG3 GLN A 12 29.561 19.280 26.802 1.00 0.00 H new ATOM 0 HE21 GLN A 12 31.400 21.914 25.425 1.00 0.00 H new ATOM 0 HE22 GLN A 12 32.764 21.838 26.545 1.00 0.00 H new ATOM 202 N ILE A 13 28.079 17.693 23.371 1.00 0.00 N ATOM 203 CA ILE A 13 26.730 17.848 22.801 1.00 0.00 C ATOM 204 C ILE A 13 25.801 16.749 23.299 1.00 0.00 C ATOM 205 O ILE A 13 24.746 17.062 23.820 1.00 0.00 O ATOM 206 CB ILE A 13 26.753 17.865 21.255 1.00 0.00 C ATOM 207 CG1 ILE A 13 27.629 19.002 20.694 1.00 0.00 C ATOM 208 CG2 ILE A 13 25.339 17.945 20.651 1.00 0.00 C ATOM 209 CD1 ILE A 13 27.021 20.390 20.867 1.00 0.00 C ATOM 0 H ILE A 13 28.811 17.640 22.663 1.00 0.00 H new ATOM 0 HA ILE A 13 26.351 18.812 23.139 1.00 0.00 H new ATOM 0 HB ILE A 13 27.198 16.915 20.958 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.600 18.977 21.188 1.00 0.00 H new ATOM 0 HG13 ILE A 13 27.806 18.823 19.633 1.00 0.00 H new ATOM 0 HG21 ILE A 13 25.408 17.954 19.563 1.00 0.00 H new ATOM 0 HG22 ILE A 13 24.757 17.080 20.970 1.00 0.00 H new ATOM 0 HG23 ILE A 13 24.849 18.857 20.991 1.00 0.00 H new ATOM 0 HD11 ILE A 13 27.695 21.137 20.448 1.00 0.00 H new ATOM 0 HD12 ILE A 13 26.063 20.435 20.349 1.00 0.00 H new ATOM 0 HD13 ILE A 13 26.870 20.591 21.928 1.00 0.00 H new ATOM 221 N GLU A 14 26.185 15.480 23.187 1.00 0.00 N ATOM 222 CA GLU A 14 25.349 14.340 23.569 1.00 0.00 C ATOM 223 C GLU A 14 24.953 14.332 25.053 1.00 0.00 C ATOM 224 O GLU A 14 23.871 13.855 25.380 1.00 0.00 O ATOM 225 CB GLU A 14 26.090 13.041 23.238 1.00 0.00 C ATOM 226 CG GLU A 14 26.419 12.851 21.753 1.00 0.00 C ATOM 227 CD GLU A 14 25.221 12.453 20.892 1.00 0.00 C ATOM 228 OE1 GLU A 14 25.000 11.232 20.727 1.00 0.00 O ATOM 229 OE2 GLU A 14 24.590 13.339 20.270 1.00 0.00 O ATOM 0 H GLU A 14 27.098 15.208 22.823 1.00 0.00 H new ATOM 0 HA GLU A 14 24.423 14.427 23.001 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.019 13.013 23.808 1.00 0.00 H new ATOM 0 HB3 GLU A 14 25.485 12.198 23.573 1.00 0.00 H new ATOM 0 HG2 GLU A 14 26.840 13.778 21.364 1.00 0.00 H new ATOM 0 HG3 GLU A 14 27.190 12.087 21.658 1.00 0.00 H new ATOM 236 N VAL A 15 25.779 14.881 25.955 1.00 0.00 N ATOM 237 CA VAL A 15 25.430 15.068 27.377 1.00 0.00 C ATOM 238 C VAL A 15 24.371 16.165 27.534 1.00 0.00 C ATOM 239 O VAL A 15 23.381 15.974 28.242 1.00 0.00 O ATOM 240 CB VAL A 15 26.685 15.398 28.214 1.00 0.00 C ATOM 241 CG1 VAL A 15 26.354 15.603 29.698 1.00 0.00 C ATOM 242 CG2 VAL A 15 27.717 14.264 28.128 1.00 0.00 C ATOM 0 H VAL A 15 26.715 15.211 25.720 1.00 0.00 H new ATOM 0 HA VAL A 15 25.012 14.132 27.749 1.00 0.00 H new ATOM 0 HB VAL A 15 27.087 16.321 27.797 1.00 0.00 H new ATOM 0 HG11 VAL A 15 27.268 15.833 30.246 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.650 16.429 29.803 1.00 0.00 H new ATOM 0 HG13 VAL A 15 25.908 14.693 30.100 1.00 0.00 H new ATOM 0 HG21 VAL A 15 28.591 14.521 28.726 1.00 0.00 H new ATOM 0 HG22 VAL A 15 27.277 13.342 28.507 1.00 0.00 H new ATOM 0 HG23 VAL A 15 28.017 14.123 27.090 1.00 0.00 H new ATOM 252 N LEU A 16 24.565 17.305 26.865 1.00 0.00 N ATOM 253 CA LEU A 16 23.636 18.437 26.863 1.00 0.00 C ATOM 254 C LEU A 16 22.285 18.061 26.215 1.00 0.00 C ATOM 255 O LEU A 16 21.231 18.281 26.813 1.00 0.00 O ATOM 256 CB LEU A 16 24.334 19.631 26.179 1.00 0.00 C ATOM 257 CG LEU A 16 25.538 20.188 26.950 1.00 0.00 C ATOM 258 CD1 LEU A 16 26.285 21.185 26.073 1.00 0.00 C ATOM 259 CD2 LEU A 16 25.078 20.925 28.202 1.00 0.00 C ATOM 0 H LEU A 16 25.395 17.470 26.295 1.00 0.00 H new ATOM 0 HA LEU A 16 23.384 18.724 27.884 1.00 0.00 H new ATOM 0 HB2 LEU A 16 24.664 19.323 25.187 1.00 0.00 H new ATOM 0 HB3 LEU A 16 23.606 20.430 26.039 1.00 0.00 H new ATOM 0 HG LEU A 16 26.181 19.352 27.227 1.00 0.00 H new ATOM 0 HD11 LEU A 16 27.141 21.581 26.620 1.00 0.00 H new ATOM 0 HD12 LEU A 16 26.632 20.685 25.169 1.00 0.00 H new ATOM 0 HD13 LEU A 16 25.617 22.003 25.802 1.00 0.00 H new ATOM 0 HD21 LEU A 16 25.946 21.313 28.735 1.00 0.00 H new ATOM 0 HD22 LEU A 16 24.427 21.752 27.919 1.00 0.00 H new ATOM 0 HD23 LEU A 16 24.532 20.238 28.849 1.00 0.00 H new ATOM 271 N GLU A 17 22.309 17.403 25.051 1.00 0.00 N ATOM 272 CA GLU A 17 21.174 16.710 24.429 1.00 0.00 C ATOM 273 C GLU A 17 20.496 15.732 25.387 1.00 0.00 C ATOM 274 O GLU A 17 19.297 15.829 25.596 1.00 0.00 O ATOM 275 CB GLU A 17 21.632 15.956 23.175 1.00 0.00 C ATOM 276 CG GLU A 17 21.886 16.864 21.967 1.00 0.00 C ATOM 277 CD GLU A 17 20.624 17.538 21.409 1.00 0.00 C ATOM 278 OE1 GLU A 17 19.506 17.035 21.658 1.00 0.00 O ATOM 279 OE2 GLU A 17 20.781 18.555 20.690 1.00 0.00 O ATOM 0 H GLU A 17 23.159 17.336 24.491 1.00 0.00 H new ATOM 0 HA GLU A 17 20.446 17.475 24.159 1.00 0.00 H new ATOM 0 HB2 GLU A 17 22.546 15.408 23.405 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.876 15.217 22.910 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.601 17.636 22.251 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.350 16.275 21.176 1.00 0.00 H new ATOM 286 N ASN A 18 21.230 14.807 26.008 1.00 0.00 N ATOM 287 CA ASN A 18 20.676 13.842 26.963 1.00 0.00 C ATOM 288 C ASN A 18 19.913 14.491 28.138 1.00 0.00 C ATOM 289 O ASN A 18 18.956 13.894 28.622 1.00 0.00 O ATOM 290 CB ASN A 18 21.839 12.942 27.414 1.00 0.00 C ATOM 291 CG ASN A 18 21.532 11.981 28.540 1.00 0.00 C ATOM 292 OD1 ASN A 18 21.274 10.808 28.328 1.00 0.00 O ATOM 293 ND2 ASN A 18 21.681 12.409 29.770 1.00 0.00 N ATOM 0 H ASN A 18 22.234 14.705 25.862 1.00 0.00 H new ATOM 0 HA ASN A 18 19.904 13.246 26.477 1.00 0.00 H new ATOM 0 HB2 ASN A 18 22.182 12.366 26.554 1.00 0.00 H new ATOM 0 HB3 ASN A 18 22.668 13.579 27.722 1.00 0.00 H new ATOM 0 HD21 ASN A 18 21.581 11.761 30.551 1.00 0.00 H new ATOM 0 HD22 ASN A 18 21.897 13.390 29.946 1.00 0.00 H new ATOM 300 N VAL A 19 20.278 15.704 28.575 1.00 0.00 N ATOM 301 CA VAL A 19 19.438 16.508 29.491 1.00 0.00 C ATOM 302 C VAL A 19 18.210 17.068 28.763 1.00 0.00 C ATOM 303 O VAL A 19 17.083 16.811 29.183 1.00 0.00 O ATOM 304 CB VAL A 19 20.247 17.626 30.181 1.00 0.00 C ATOM 305 CG1 VAL A 19 19.368 18.511 31.076 1.00 0.00 C ATOM 306 CG2 VAL A 19 21.341 17.016 31.066 1.00 0.00 C ATOM 0 H VAL A 19 21.153 16.157 28.311 1.00 0.00 H new ATOM 0 HA VAL A 19 19.084 15.842 30.278 1.00 0.00 H new ATOM 0 HB VAL A 19 20.675 18.235 29.385 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.982 19.283 31.540 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.590 18.980 30.473 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.907 17.900 31.852 1.00 0.00 H new ATOM 0 HG21 VAL A 19 21.906 17.814 31.548 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.883 16.384 31.827 1.00 0.00 H new ATOM 0 HG23 VAL A 19 22.013 16.416 30.452 1.00 0.00 H new ATOM 316 N PHE A 20 18.402 17.795 27.657 1.00 0.00 N ATOM 317 CA PHE A 20 17.338 18.381 26.822 1.00 0.00 C ATOM 318 C PHE A 20 16.254 17.368 26.388 1.00 0.00 C ATOM 319 O PHE A 20 15.084 17.726 26.270 1.00 0.00 O ATOM 320 CB PHE A 20 18.020 19.040 25.605 1.00 0.00 C ATOM 321 CG PHE A 20 17.141 19.803 24.626 1.00 0.00 C ATOM 322 CD1 PHE A 20 16.286 20.832 25.069 1.00 0.00 C ATOM 323 CD2 PHE A 20 17.219 19.515 23.248 1.00 0.00 C ATOM 324 CE1 PHE A 20 15.509 21.554 24.142 1.00 0.00 C ATOM 325 CE2 PHE A 20 16.441 20.235 22.323 1.00 0.00 C ATOM 326 CZ PHE A 20 15.581 21.253 22.770 1.00 0.00 C ATOM 0 H PHE A 20 19.336 18.001 27.302 1.00 0.00 H new ATOM 0 HA PHE A 20 16.794 19.117 27.414 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.780 19.727 25.978 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.541 18.260 25.050 1.00 0.00 H new ATOM 0 HD1 PHE A 20 16.226 21.067 26.121 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.881 18.736 22.900 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.855 22.342 24.486 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.505 20.006 21.270 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.978 21.802 22.062 1.00 0.00 H new ATOM 336 N ARG A 21 16.631 16.097 26.194 1.00 0.00 N ATOM 337 CA ARG A 21 15.811 14.957 25.755 1.00 0.00 C ATOM 338 C ARG A 21 14.740 14.516 26.758 1.00 0.00 C ATOM 339 O ARG A 21 13.756 13.905 26.347 1.00 0.00 O ATOM 340 CB ARG A 21 16.791 13.817 25.428 1.00 0.00 C ATOM 341 CG ARG A 21 16.179 12.630 24.681 1.00 0.00 C ATOM 342 CD ARG A 21 17.312 11.774 24.098 1.00 0.00 C ATOM 343 NE ARG A 21 16.821 10.643 23.288 1.00 0.00 N ATOM 344 CZ ARG A 21 17.482 10.001 22.340 1.00 0.00 C ATOM 345 NH1 ARG A 21 18.648 10.396 21.913 1.00 0.00 N ATOM 346 NH2 ARG A 21 16.967 8.934 21.812 1.00 0.00 N ATOM 0 H ARG A 21 17.598 15.815 26.353 1.00 0.00 H new ATOM 0 HA ARG A 21 15.228 15.256 24.884 1.00 0.00 H new ATOM 0 HB2 ARG A 21 17.608 14.221 24.830 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.227 13.455 26.359 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.566 12.034 25.357 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.524 12.983 23.884 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.955 12.403 23.482 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.927 11.391 24.913 1.00 0.00 H new ATOM 0 HE ARG A 21 15.872 10.323 23.480 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.082 11.228 22.312 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.126 9.873 21.179 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.058 8.596 22.129 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.471 8.433 21.080 1.00 0.00 H new ATOM 360 N VAL A 22 14.913 14.825 28.043 1.00 0.00 N ATOM 361 CA VAL A 22 13.949 14.581 29.130 1.00 0.00 C ATOM 362 C VAL A 22 13.459 15.869 29.799 1.00 0.00 C ATOM 363 O VAL A 22 12.288 15.979 30.158 1.00 0.00 O ATOM 364 CB VAL A 22 14.552 13.641 30.189 1.00 0.00 C ATOM 365 CG1 VAL A 22 14.556 12.191 29.695 1.00 0.00 C ATOM 366 CG2 VAL A 22 15.970 14.000 30.655 1.00 0.00 C ATOM 0 H VAL A 22 15.767 15.273 28.376 1.00 0.00 H new ATOM 0 HA VAL A 22 13.082 14.109 28.668 1.00 0.00 H new ATOM 0 HB VAL A 22 13.899 13.766 31.053 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.987 11.547 30.461 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.534 11.874 29.488 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.150 12.119 28.784 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.302 13.277 31.400 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.649 13.981 29.803 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.967 14.998 31.094 1.00 0.00 H new ATOM 376 N ASN A 23 14.334 16.864 29.929 1.00 0.00 N ATOM 377 CA ASN A 23 14.073 18.179 30.503 1.00 0.00 C ATOM 378 C ASN A 23 14.216 19.251 29.409 1.00 0.00 C ATOM 379 O ASN A 23 15.213 19.971 29.342 1.00 0.00 O ATOM 380 CB ASN A 23 15.010 18.399 31.706 1.00 0.00 C ATOM 381 CG ASN A 23 14.599 17.604 32.933 1.00 0.00 C ATOM 382 OD1 ASN A 23 14.971 16.461 33.141 1.00 0.00 O ATOM 383 ND2 ASN A 23 13.833 18.192 33.816 1.00 0.00 N ATOM 0 H ASN A 23 15.300 16.766 29.618 1.00 0.00 H new ATOM 0 HA ASN A 23 13.052 18.251 30.879 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.026 18.121 31.424 1.00 0.00 H new ATOM 0 HB3 ASN A 23 15.027 19.460 31.956 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.556 17.695 34.662 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.513 19.147 33.658 1.00 0.00 H new ATOM 390 N CYS A 24 13.186 19.379 28.566 1.00 0.00 N ATOM 391 CA CYS A 24 13.143 20.271 27.396 1.00 0.00 C ATOM 392 C CYS A 24 13.413 21.759 27.705 1.00 0.00 C ATOM 393 O CYS A 24 13.788 22.515 26.810 1.00 0.00 O ATOM 394 CB CYS A 24 11.773 20.128 26.714 1.00 0.00 C ATOM 395 SG CYS A 24 11.391 18.390 26.337 1.00 0.00 S ATOM 0 H CYS A 24 12.325 18.845 28.682 1.00 0.00 H new ATOM 0 HA CYS A 24 13.957 19.957 26.743 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.999 20.539 27.362 1.00 0.00 H new ATOM 0 HB3 CYS A 24 11.761 20.712 25.793 1.00 0.00 H new ATOM 0 HG CYS A 24 10.226 18.316 25.765 1.00 0.00 H new ATOM 401 N TYR A 25 13.247 22.182 28.962 1.00 0.00 N ATOM 402 CA TYR A 25 13.748 23.458 29.474 1.00 0.00 C ATOM 403 C TYR A 25 14.213 23.285 30.936 1.00 0.00 C ATOM 404 O TYR A 25 13.372 23.230 31.838 1.00 0.00 O ATOM 405 CB TYR A 25 12.688 24.559 29.295 1.00 0.00 C ATOM 406 CG TYR A 25 13.303 25.904 28.965 1.00 0.00 C ATOM 407 CD1 TYR A 25 13.566 26.227 27.621 1.00 0.00 C ATOM 408 CD2 TYR A 25 13.626 26.818 29.987 1.00 0.00 C ATOM 409 CE1 TYR A 25 14.146 27.464 27.292 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.206 28.060 29.659 1.00 0.00 C ATOM 411 CZ TYR A 25 14.471 28.385 28.310 1.00 0.00 C ATOM 412 OH TYR A 25 15.053 29.570 27.987 1.00 0.00 O ATOM 0 H TYR A 25 12.750 21.635 29.665 1.00 0.00 H new ATOM 0 HA TYR A 25 14.618 23.778 28.901 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.000 24.272 28.499 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.100 24.646 30.209 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.321 25.522 26.840 1.00 0.00 H new ATOM 0 HD2 TYR A 25 13.430 26.568 31.019 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.343 27.710 26.259 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.448 28.765 30.441 1.00 0.00 H new ATOM 0 HH TYR A 25 15.363 29.540 27.058 1.00 0.00 H new ATOM 422 N PRO A 26 15.520 23.104 31.206 1.00 0.00 N ATOM 423 CA PRO A 26 16.026 22.945 32.572 1.00 0.00 C ATOM 424 C PRO A 26 15.951 24.269 33.361 1.00 0.00 C ATOM 425 O PRO A 26 15.716 25.335 32.790 1.00 0.00 O ATOM 426 CB PRO A 26 17.472 22.471 32.393 1.00 0.00 C ATOM 427 CG PRO A 26 17.897 23.134 31.087 1.00 0.00 C ATOM 428 CD PRO A 26 16.622 23.086 30.250 1.00 0.00 C ATOM 0 HA PRO A 26 15.434 22.237 33.151 1.00 0.00 H new ATOM 0 HB2 PRO A 26 18.103 22.781 33.226 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.535 21.385 32.332 1.00 0.00 H new ATOM 0 HG2 PRO A 26 18.238 24.157 31.246 1.00 0.00 H new ATOM 0 HG3 PRO A 26 18.715 22.596 30.608 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.566 23.938 29.573 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.592 22.187 29.635 1.00 0.00 H new ATOM 436 N GLY A 27 16.179 24.211 34.676 1.00 0.00 N ATOM 437 CA GLY A 27 16.357 25.401 35.514 1.00 0.00 C ATOM 438 C GLY A 27 17.821 25.845 35.594 1.00 0.00 C ATOM 439 O GLY A 27 18.725 25.100 35.217 1.00 0.00 O ATOM 0 H GLY A 27 16.246 23.334 35.192 1.00 0.00 H new ATOM 0 HA2 GLY A 27 15.754 26.217 35.115 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.988 25.193 36.518 1.00 0.00 H new ATOM 443 N ILE A 28 18.071 27.057 36.105 1.00 0.00 N ATOM 444 CA ILE A 28 19.421 27.647 36.098 1.00 0.00 C ATOM 445 C ILE A 28 20.391 26.871 36.995 1.00 0.00 C ATOM 446 O ILE A 28 21.551 26.808 36.655 1.00 0.00 O ATOM 447 CB ILE A 28 19.429 29.157 36.440 1.00 0.00 C ATOM 448 CG1 ILE A 28 18.674 30.059 35.429 1.00 0.00 C ATOM 449 CG2 ILE A 28 20.859 29.732 36.489 1.00 0.00 C ATOM 450 CD1 ILE A 28 17.169 29.829 35.263 1.00 0.00 C ATOM 0 H ILE A 28 17.358 27.650 36.529 1.00 0.00 H new ATOM 0 HA ILE A 28 19.773 27.560 35.070 1.00 0.00 H new ATOM 0 HB ILE A 28 18.928 29.181 37.408 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.825 31.097 35.726 1.00 0.00 H new ATOM 0 HG13 ILE A 28 19.143 29.936 34.453 1.00 0.00 H new ATOM 0 HG21 ILE A 28 20.816 30.794 36.732 1.00 0.00 H new ATOM 0 HG22 ILE A 28 21.436 29.208 37.251 1.00 0.00 H new ATOM 0 HG23 ILE A 28 21.337 29.601 35.518 1.00 0.00 H new ATOM 0 HD11 ILE A 28 16.773 30.528 34.527 1.00 0.00 H new ATOM 0 HD12 ILE A 28 16.992 28.808 34.926 1.00 0.00 H new ATOM 0 HD13 ILE A 28 16.669 29.987 36.219 1.00 0.00 H new ATOM 462 N ASP A 29 19.951 26.227 38.077 1.00 0.00 N ATOM 463 CA ASP A 29 20.787 25.312 38.883 1.00 0.00 C ATOM 464 C ASP A 29 21.330 24.125 38.072 1.00 0.00 C ATOM 465 O ASP A 29 22.500 23.786 38.211 1.00 0.00 O ATOM 466 CB ASP A 29 19.950 24.862 40.098 1.00 0.00 C ATOM 467 CG ASP A 29 20.320 23.485 40.657 1.00 0.00 C ATOM 468 OD1 ASP A 29 21.264 23.383 41.468 1.00 0.00 O ATOM 469 OD2 ASP A 29 19.604 22.512 40.325 1.00 0.00 O ATOM 0 H ASP A 29 18.998 26.321 38.428 1.00 0.00 H new ATOM 0 HA ASP A 29 21.680 25.839 39.220 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.059 25.602 40.891 1.00 0.00 H new ATOM 0 HB3 ASP A 29 18.898 24.853 39.813 1.00 0.00 H new ATOM 474 N ILE A 30 20.529 23.537 37.181 1.00 0.00 N ATOM 475 CA ILE A 30 20.991 22.495 36.260 1.00 0.00 C ATOM 476 C ILE A 30 21.937 23.080 35.199 1.00 0.00 C ATOM 477 O ILE A 30 22.920 22.439 34.840 1.00 0.00 O ATOM 478 CB ILE A 30 19.774 21.793 35.622 1.00 0.00 C ATOM 479 CG1 ILE A 30 18.775 21.246 36.667 1.00 0.00 C ATOM 480 CG2 ILE A 30 20.186 20.687 34.635 1.00 0.00 C ATOM 481 CD1 ILE A 30 19.325 20.157 37.602 1.00 0.00 C ATOM 0 H ILE A 30 19.541 23.770 37.077 1.00 0.00 H new ATOM 0 HA ILE A 30 21.562 21.751 36.815 1.00 0.00 H new ATOM 0 HB ILE A 30 19.258 22.570 35.058 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.421 22.078 37.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.909 20.845 36.141 1.00 0.00 H new ATOM 0 HG21 ILE A 30 19.293 20.224 34.214 1.00 0.00 H new ATOM 0 HG22 ILE A 30 20.784 21.120 33.833 1.00 0.00 H new ATOM 0 HG23 ILE A 30 20.773 19.932 35.158 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.544 19.844 38.295 1.00 0.00 H new ATOM 0 HD12 ILE A 30 19.651 19.301 37.011 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.171 20.553 38.164 1.00 0.00 H new ATOM 493 N LEU A 31 21.670 24.290 34.691 1.00 0.00 N ATOM 494 CA LEU A 31 22.558 24.979 33.743 1.00 0.00 C ATOM 495 C LEU A 31 23.907 25.377 34.378 1.00 0.00 C ATOM 496 O LEU A 31 24.944 25.137 33.767 1.00 0.00 O ATOM 497 CB LEU A 31 21.852 26.205 33.135 1.00 0.00 C ATOM 498 CG LEU A 31 20.622 25.910 32.258 1.00 0.00 C ATOM 499 CD1 LEU A 31 19.860 27.205 31.967 1.00 0.00 C ATOM 500 CD2 LEU A 31 21.031 25.307 30.915 1.00 0.00 C ATOM 0 H LEU A 31 20.831 24.820 34.926 1.00 0.00 H new ATOM 0 HA LEU A 31 22.785 24.272 32.945 1.00 0.00 H new ATOM 0 HB2 LEU A 31 21.544 26.862 33.948 1.00 0.00 H new ATOM 0 HB3 LEU A 31 22.577 26.757 32.536 1.00 0.00 H new ATOM 0 HG LEU A 31 19.998 25.204 32.806 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.992 26.985 31.346 1.00 0.00 H new ATOM 0 HD12 LEU A 31 19.531 27.652 32.905 1.00 0.00 H new ATOM 0 HD13 LEU A 31 20.514 27.902 31.443 1.00 0.00 H new ATOM 0 HD21 LEU A 31 20.140 25.110 30.318 1.00 0.00 H new ATOM 0 HD22 LEU A 31 21.676 26.006 30.384 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.569 24.374 31.084 1.00 0.00 H new ATOM 512 N GLU A 32 23.899 25.945 35.586 1.00 0.00 N ATOM 513 CA GLU A 32 25.048 26.133 36.477 1.00 0.00 C ATOM 514 C GLU A 32 25.810 24.839 36.724 1.00 0.00 C ATOM 515 O GLU A 32 26.998 24.786 36.428 1.00 0.00 O ATOM 516 CB GLU A 32 24.552 26.715 37.814 1.00 0.00 C ATOM 517 CG GLU A 32 24.328 28.229 37.755 1.00 0.00 C ATOM 518 CD GLU A 32 25.618 29.067 37.752 1.00 0.00 C ATOM 519 OE1 GLU A 32 26.744 28.519 37.794 1.00 0.00 O ATOM 520 OE2 GLU A 32 25.489 30.316 37.744 1.00 0.00 O ATOM 0 H GLU A 32 23.038 26.308 35.994 1.00 0.00 H new ATOM 0 HA GLU A 32 25.741 26.821 35.993 1.00 0.00 H new ATOM 0 HB2 GLU A 32 23.620 26.225 38.095 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.278 26.490 38.595 1.00 0.00 H new ATOM 0 HG2 GLU A 32 23.756 28.464 36.858 1.00 0.00 H new ATOM 0 HG3 GLU A 32 23.719 28.527 38.609 1.00 0.00 H new ATOM 527 N ASP A 33 25.180 23.788 37.249 1.00 0.00 N ATOM 528 CA ASP A 33 25.911 22.548 37.517 1.00 0.00 C ATOM 529 C ASP A 33 26.486 21.904 36.241 1.00 0.00 C ATOM 530 O ASP A 33 27.616 21.422 36.276 1.00 0.00 O ATOM 531 CB ASP A 33 25.035 21.563 38.301 1.00 0.00 C ATOM 532 CG ASP A 33 25.896 20.434 38.862 1.00 0.00 C ATOM 533 OD1 ASP A 33 26.610 20.657 39.862 1.00 0.00 O ATOM 534 OD2 ASP A 33 25.950 19.327 38.274 1.00 0.00 O ATOM 0 H ASP A 33 24.190 23.767 37.492 1.00 0.00 H new ATOM 0 HA ASP A 33 26.771 22.811 38.134 1.00 0.00 H new ATOM 0 HB2 ASP A 33 24.527 22.082 39.113 1.00 0.00 H new ATOM 0 HB3 ASP A 33 24.262 21.154 37.651 1.00 0.00 H new ATOM 539 N LEU A 34 25.788 21.962 35.095 1.00 0.00 N ATOM 540 CA LEU A 34 26.344 21.586 33.791 1.00 0.00 C ATOM 541 C LEU A 34 27.556 22.449 33.414 1.00 0.00 C ATOM 542 O LEU A 34 28.585 21.905 33.023 1.00 0.00 O ATOM 543 CB LEU A 34 25.260 21.684 32.702 1.00 0.00 C ATOM 544 CG LEU A 34 24.237 20.535 32.690 1.00 0.00 C ATOM 545 CD1 LEU A 34 23.064 20.907 31.779 1.00 0.00 C ATOM 546 CD2 LEU A 34 24.859 19.238 32.161 1.00 0.00 C ATOM 0 H LEU A 34 24.818 22.273 35.050 1.00 0.00 H new ATOM 0 HA LEU A 34 26.687 20.554 33.866 1.00 0.00 H new ATOM 0 HB2 LEU A 34 24.724 22.625 32.829 1.00 0.00 H new ATOM 0 HB3 LEU A 34 25.748 21.724 31.728 1.00 0.00 H new ATOM 0 HG LEU A 34 23.902 20.377 33.715 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.338 20.094 31.770 1.00 0.00 H new ATOM 0 HD12 LEU A 34 22.588 21.814 32.151 1.00 0.00 H new ATOM 0 HD13 LEU A 34 23.430 21.079 30.767 1.00 0.00 H new ATOM 0 HD21 LEU A 34 24.109 18.447 32.166 1.00 0.00 H new ATOM 0 HD22 LEU A 34 25.215 19.394 31.143 1.00 0.00 H new ATOM 0 HD23 LEU A 34 25.695 18.949 32.798 1.00 0.00 H new ATOM 558 N ALA A 35 27.467 23.776 33.537 1.00 0.00 N ATOM 559 CA ALA A 35 28.561 24.714 33.280 1.00 0.00 C ATOM 560 C ALA A 35 29.781 24.359 34.140 1.00 0.00 C ATOM 561 O ALA A 35 30.848 24.014 33.626 1.00 0.00 O ATOM 562 CB ALA A 35 28.035 26.142 33.499 1.00 0.00 C ATOM 0 H ALA A 35 26.606 24.240 33.827 1.00 0.00 H new ATOM 0 HA ALA A 35 28.907 24.648 32.248 1.00 0.00 H new ATOM 0 HB1 ALA A 35 28.836 26.857 33.312 1.00 0.00 H new ATOM 0 HB2 ALA A 35 27.209 26.335 32.814 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.686 26.248 34.526 1.00 0.00 H new ATOM 568 N GLN A 36 29.573 24.305 35.453 1.00 0.00 N ATOM 569 CA GLN A 36 30.547 23.922 36.474 1.00 0.00 C ATOM 570 C GLN A 36 31.056 22.463 36.393 1.00 0.00 C ATOM 571 O GLN A 36 31.929 22.097 37.187 1.00 0.00 O ATOM 572 CB GLN A 36 29.941 24.226 37.855 1.00 0.00 C ATOM 573 CG GLN A 36 29.659 25.732 38.037 1.00 0.00 C ATOM 574 CD GLN A 36 29.235 26.080 39.455 1.00 0.00 C ATOM 575 OE1 GLN A 36 29.845 25.644 40.423 1.00 0.00 O ATOM 576 NE2 GLN A 36 28.221 26.893 39.650 1.00 0.00 N ATOM 0 H GLN A 36 28.667 24.541 35.858 1.00 0.00 H new ATOM 0 HA GLN A 36 31.444 24.515 36.294 1.00 0.00 H new ATOM 0 HB2 GLN A 36 29.014 23.665 37.977 1.00 0.00 H new ATOM 0 HB3 GLN A 36 30.624 23.887 38.634 1.00 0.00 H new ATOM 0 HG2 GLN A 36 30.554 26.299 37.780 1.00 0.00 H new ATOM 0 HG3 GLN A 36 28.877 26.038 37.342 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.704 27.264 38.853 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.951 27.153 40.599 1.00 0.00 H new ATOM 585 N LYS A 37 30.570 21.616 35.470 1.00 0.00 N ATOM 586 CA LYS A 37 30.947 20.186 35.337 1.00 0.00 C ATOM 587 C LYS A 37 31.371 19.757 33.921 1.00 0.00 C ATOM 588 O LYS A 37 32.081 18.768 33.774 1.00 0.00 O ATOM 589 CB LYS A 37 29.781 19.359 35.895 1.00 0.00 C ATOM 590 CG LYS A 37 30.127 17.923 36.312 1.00 0.00 C ATOM 591 CD LYS A 37 28.968 17.250 37.078 1.00 0.00 C ATOM 592 CE LYS A 37 28.933 17.505 38.597 1.00 0.00 C ATOM 593 NZ LYS A 37 28.612 18.904 38.957 1.00 0.00 N ATOM 0 H LYS A 37 29.885 21.909 34.773 1.00 0.00 H new ATOM 0 HA LYS A 37 31.856 20.007 35.912 1.00 0.00 H new ATOM 0 HB2 LYS A 37 29.370 19.880 36.760 1.00 0.00 H new ATOM 0 HB3 LYS A 37 28.994 19.320 35.142 1.00 0.00 H new ATOM 0 HG2 LYS A 37 30.366 17.335 35.426 1.00 0.00 H new ATOM 0 HG3 LYS A 37 31.019 17.932 36.938 1.00 0.00 H new ATOM 0 HD2 LYS A 37 28.026 17.593 36.649 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.022 16.174 36.910 1.00 0.00 H new ATOM 0 HE2 LYS A 37 28.195 16.844 39.051 1.00 0.00 H new ATOM 0 HE3 LYS A 37 29.901 17.242 39.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 28.259 18.939 39.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 29.469 19.488 38.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 27.882 19.270 38.312 1.00 0.00 H new ATOM 607 N LEU A 38 31.024 20.536 32.896 1.00 0.00 N ATOM 608 CA LEU A 38 31.583 20.510 31.530 1.00 0.00 C ATOM 609 C LEU A 38 32.678 21.587 31.331 1.00 0.00 C ATOM 610 O LEU A 38 33.226 21.752 30.241 1.00 0.00 O ATOM 611 CB LEU A 38 30.429 20.705 30.525 1.00 0.00 C ATOM 612 CG LEU A 38 29.373 19.580 30.527 1.00 0.00 C ATOM 613 CD1 LEU A 38 28.183 20.002 29.668 1.00 0.00 C ATOM 614 CD2 LEU A 38 29.915 18.251 29.996 1.00 0.00 C ATOM 0 H LEU A 38 30.301 21.248 32.996 1.00 0.00 H new ATOM 0 HA LEU A 38 32.065 19.547 31.363 1.00 0.00 H new ATOM 0 HB2 LEU A 38 29.932 21.651 30.742 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.849 20.788 29.523 1.00 0.00 H new ATOM 0 HG LEU A 38 29.078 19.424 31.565 1.00 0.00 H new ATOM 0 HD11 LEU A 38 27.435 19.209 29.668 1.00 0.00 H new ATOM 0 HD12 LEU A 38 27.745 20.913 30.075 1.00 0.00 H new ATOM 0 HD13 LEU A 38 28.518 20.185 28.647 1.00 0.00 H new ATOM 0 HD21 LEU A 38 29.126 17.500 30.022 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.257 18.382 28.969 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.748 17.924 30.617 1.00 0.00 H new ATOM 626 N ASN A 39 32.979 22.333 32.396 1.00 0.00 N ATOM 627 CA ASN A 39 33.824 23.524 32.463 1.00 0.00 C ATOM 628 C ASN A 39 33.584 24.524 31.314 1.00 0.00 C ATOM 629 O ASN A 39 34.477 24.856 30.527 1.00 0.00 O ATOM 630 CB ASN A 39 35.289 23.119 32.701 1.00 0.00 C ATOM 631 CG ASN A 39 36.080 24.222 33.383 1.00 0.00 C ATOM 632 OD1 ASN A 39 35.539 25.160 33.949 1.00 0.00 O ATOM 633 ND2 ASN A 39 37.383 24.116 33.425 1.00 0.00 N ATOM 0 H ASN A 39 32.603 22.097 33.314 1.00 0.00 H new ATOM 0 HA ASN A 39 33.526 24.111 33.332 1.00 0.00 H new ATOM 0 HB2 ASN A 39 35.321 22.218 33.313 1.00 0.00 H new ATOM 0 HB3 ASN A 39 35.757 22.873 31.748 1.00 0.00 H new ATOM 0 HD21 ASN A 39 37.935 24.812 33.926 1.00 0.00 H new ATOM 0 HD22 ASN A 39 37.847 23.338 32.957 1.00 0.00 H new ATOM 640 N LEU A 40 32.340 24.997 31.262 1.00 0.00 N ATOM 641 CA LEU A 40 31.814 26.105 30.460 1.00 0.00 C ATOM 642 C LEU A 40 31.259 27.170 31.422 1.00 0.00 C ATOM 643 O LEU A 40 31.156 26.920 32.622 1.00 0.00 O ATOM 644 CB LEU A 40 30.684 25.575 29.548 1.00 0.00 C ATOM 645 CG LEU A 40 31.079 24.466 28.553 1.00 0.00 C ATOM 646 CD1 LEU A 40 29.841 23.911 27.855 1.00 0.00 C ATOM 647 CD2 LEU A 40 32.044 25.005 27.495 1.00 0.00 C ATOM 0 H LEU A 40 31.606 24.577 31.832 1.00 0.00 H new ATOM 0 HA LEU A 40 32.597 26.539 29.838 1.00 0.00 H new ATOM 0 HB2 LEU A 40 29.881 25.198 30.181 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.277 26.414 28.983 1.00 0.00 H new ATOM 0 HG LEU A 40 31.569 23.672 29.117 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.137 23.129 27.156 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.160 23.495 28.598 1.00 0.00 H new ATOM 0 HD13 LEU A 40 29.340 24.712 27.312 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.309 24.205 26.803 1.00 0.00 H new ATOM 0 HD22 LEU A 40 31.566 25.816 26.946 1.00 0.00 H new ATOM 0 HD23 LEU A 40 32.945 25.378 27.981 1.00 0.00 H new ATOM 659 N GLU A 41 30.838 28.333 30.929 1.00 0.00 N ATOM 660 CA GLU A 41 30.005 29.258 31.690 1.00 0.00 C ATOM 661 C GLU A 41 28.505 29.107 31.369 1.00 0.00 C ATOM 662 O GLU A 41 28.101 28.530 30.344 1.00 0.00 O ATOM 663 CB GLU A 41 30.483 30.693 31.436 1.00 0.00 C ATOM 664 CG GLU A 41 30.251 31.179 29.998 1.00 0.00 C ATOM 665 CD GLU A 41 31.435 30.974 29.057 1.00 0.00 C ATOM 666 OE1 GLU A 41 31.884 29.824 28.855 1.00 0.00 O ATOM 667 OE2 GLU A 41 31.865 31.972 28.444 1.00 0.00 O ATOM 0 H GLU A 41 31.066 28.660 29.990 1.00 0.00 H new ATOM 0 HA GLU A 41 30.112 29.017 32.748 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.969 31.364 32.124 1.00 0.00 H new ATOM 0 HB3 GLU A 41 31.547 30.757 31.664 1.00 0.00 H new ATOM 0 HG2 GLU A 41 29.385 30.659 29.589 1.00 0.00 H new ATOM 0 HG3 GLU A 41 30.004 32.240 30.023 1.00 0.00 H new ATOM 674 N LEU A 42 27.679 29.721 32.227 1.00 0.00 N ATOM 675 CA LEU A 42 26.226 29.751 32.076 1.00 0.00 C ATOM 676 C LEU A 42 25.792 30.244 30.690 1.00 0.00 C ATOM 677 O LEU A 42 24.959 29.595 30.071 1.00 0.00 O ATOM 678 CB LEU A 42 25.589 30.587 33.203 1.00 0.00 C ATOM 679 CG LEU A 42 24.049 30.509 33.176 1.00 0.00 C ATOM 680 CD1 LEU A 42 23.545 29.148 33.642 1.00 0.00 C ATOM 681 CD2 LEU A 42 23.413 31.570 34.062 1.00 0.00 C ATOM 0 H LEU A 42 28.010 30.216 33.055 1.00 0.00 H new ATOM 0 HA LEU A 42 25.864 28.726 32.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 25.954 30.234 34.168 1.00 0.00 H new ATOM 0 HB3 LEU A 42 25.902 31.627 33.105 1.00 0.00 H new ATOM 0 HG LEU A 42 23.762 30.675 32.138 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.456 29.133 33.609 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.939 28.370 32.988 1.00 0.00 H new ATOM 0 HD13 LEU A 42 23.879 28.966 34.663 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.328 31.481 34.015 1.00 0.00 H new ATOM 0 HD22 LEU A 42 23.744 31.431 35.091 1.00 0.00 H new ATOM 0 HD23 LEU A 42 23.711 32.560 33.716 1.00 0.00 H new ATOM 693 N ASP A 43 26.354 31.350 30.188 1.00 0.00 N ATOM 694 CA ASP A 43 26.061 31.876 28.848 1.00 0.00 C ATOM 695 C ASP A 43 26.269 30.825 27.757 1.00 0.00 C ATOM 696 O ASP A 43 25.376 30.620 26.945 1.00 0.00 O ATOM 697 CB ASP A 43 26.982 33.059 28.493 1.00 0.00 C ATOM 698 CG ASP A 43 26.617 34.398 29.124 1.00 0.00 C ATOM 699 OD1 ASP A 43 26.605 34.481 30.371 1.00 0.00 O ATOM 700 OD2 ASP A 43 26.490 35.380 28.353 1.00 0.00 O ATOM 0 H ASP A 43 27.031 31.911 30.705 1.00 0.00 H new ATOM 0 HA ASP A 43 25.017 32.187 28.884 1.00 0.00 H new ATOM 0 HB2 ASP A 43 27.999 32.804 28.790 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.987 33.179 27.410 1.00 0.00 H new ATOM 705 N ARG A 44 27.437 30.176 27.675 1.00 0.00 N ATOM 706 CA ARG A 44 27.732 29.261 26.559 1.00 0.00 C ATOM 707 C ARG A 44 26.824 28.031 26.560 1.00 0.00 C ATOM 708 O ARG A 44 26.481 27.544 25.479 1.00 0.00 O ATOM 709 CB ARG A 44 29.226 28.892 26.524 1.00 0.00 C ATOM 710 CG ARG A 44 30.082 30.062 26.002 1.00 0.00 C ATOM 711 CD ARG A 44 31.538 29.642 25.744 1.00 0.00 C ATOM 712 NE ARG A 44 32.416 30.805 25.490 1.00 0.00 N ATOM 713 CZ ARG A 44 33.530 31.128 26.131 1.00 0.00 C ATOM 714 NH1 ARG A 44 33.992 30.478 27.157 1.00 0.00 N ATOM 715 NH2 ARG A 44 34.232 32.150 25.745 1.00 0.00 N ATOM 0 H ARG A 44 28.188 30.264 28.359 1.00 0.00 H new ATOM 0 HA ARG A 44 27.510 29.793 25.634 1.00 0.00 H new ATOM 0 HB2 ARG A 44 29.557 28.615 27.525 1.00 0.00 H new ATOM 0 HB3 ARG A 44 29.372 28.020 25.887 1.00 0.00 H new ATOM 0 HG2 ARG A 44 29.647 30.446 25.079 1.00 0.00 H new ATOM 0 HG3 ARG A 44 30.063 30.876 26.726 1.00 0.00 H new ATOM 0 HD2 ARG A 44 31.912 29.087 26.604 1.00 0.00 H new ATOM 0 HD3 ARG A 44 31.574 28.967 24.889 1.00 0.00 H new ATOM 0 HE ARG A 44 32.132 31.430 24.735 1.00 0.00 H new ATOM 0 HH11 ARG A 44 33.490 29.665 27.514 1.00 0.00 H new ATOM 0 HH12 ARG A 44 34.857 30.780 27.605 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.926 32.706 24.947 1.00 0.00 H new ATOM 0 HH22 ARG A 44 35.089 32.396 26.240 1.00 0.00 H new ATOM 729 N ILE A 45 26.358 27.570 27.725 1.00 0.00 N ATOM 730 CA ILE A 45 25.296 26.544 27.789 1.00 0.00 C ATOM 731 C ILE A 45 23.898 27.125 27.540 1.00 0.00 C ATOM 732 O ILE A 45 23.146 26.520 26.778 1.00 0.00 O ATOM 733 CB ILE A 45 25.409 25.707 29.081 1.00 0.00 C ATOM 734 CG1 ILE A 45 26.809 25.055 29.146 1.00 0.00 C ATOM 735 CG2 ILE A 45 24.328 24.617 29.075 1.00 0.00 C ATOM 736 CD1 ILE A 45 26.969 24.063 30.296 1.00 0.00 C ATOM 0 H ILE A 45 26.693 27.885 28.635 1.00 0.00 H new ATOM 0 HA ILE A 45 25.452 25.850 26.963 1.00 0.00 H new ATOM 0 HB ILE A 45 25.269 26.349 29.951 1.00 0.00 H new ATOM 0 HG12 ILE A 45 27.006 24.542 28.205 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.561 25.838 29.245 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.405 24.024 29.986 1.00 0.00 H new ATOM 0 HG22 ILE A 45 23.343 25.082 29.026 1.00 0.00 H new ATOM 0 HG23 ILE A 45 24.468 23.971 28.208 1.00 0.00 H new ATOM 0 HD11 ILE A 45 27.976 23.645 30.279 1.00 0.00 H new ATOM 0 HD12 ILE A 45 26.805 24.575 31.244 1.00 0.00 H new ATOM 0 HD13 ILE A 45 26.241 23.259 30.187 1.00 0.00 H new ATOM 748 N GLN A 46 23.552 28.307 28.051 1.00 0.00 N ATOM 749 CA GLN A 46 22.319 29.014 27.687 1.00 0.00 C ATOM 750 C GLN A 46 22.180 29.217 26.172 1.00 0.00 C ATOM 751 O GLN A 46 21.180 28.799 25.588 1.00 0.00 O ATOM 752 CB GLN A 46 22.237 30.363 28.431 1.00 0.00 C ATOM 753 CG GLN A 46 21.535 30.241 29.793 1.00 0.00 C ATOM 754 CD GLN A 46 20.860 31.549 30.202 1.00 0.00 C ATOM 755 OE1 GLN A 46 20.020 32.076 29.485 1.00 0.00 O ATOM 756 NE2 GLN A 46 21.159 32.109 31.353 1.00 0.00 N ATOM 0 H GLN A 46 24.122 28.806 28.734 1.00 0.00 H new ATOM 0 HA GLN A 46 21.484 28.385 27.995 1.00 0.00 H new ATOM 0 HB2 GLN A 46 23.243 30.755 28.578 1.00 0.00 H new ATOM 0 HB3 GLN A 46 21.701 31.083 27.813 1.00 0.00 H new ATOM 0 HG2 GLN A 46 20.790 29.446 29.748 1.00 0.00 H new ATOM 0 HG3 GLN A 46 22.262 29.954 30.553 1.00 0.00 H new ATOM 0 HE21 GLN A 46 21.857 31.682 31.962 1.00 0.00 H new ATOM 0 HE22 GLN A 46 20.693 32.971 31.637 1.00 0.00 H new ATOM 765 N ILE A 47 23.180 29.801 25.510 1.00 0.00 N ATOM 766 CA ILE A 47 23.235 29.959 24.054 1.00 0.00 C ATOM 767 C ILE A 47 23.215 28.596 23.358 1.00 0.00 C ATOM 768 O ILE A 47 22.556 28.500 22.326 1.00 0.00 O ATOM 769 CB ILE A 47 24.428 30.866 23.634 1.00 0.00 C ATOM 770 CG1 ILE A 47 24.111 32.372 23.832 1.00 0.00 C ATOM 771 CG2 ILE A 47 24.801 30.722 22.143 1.00 0.00 C ATOM 772 CD1 ILE A 47 24.191 32.901 25.268 1.00 0.00 C ATOM 0 H ILE A 47 23.996 30.188 25.984 1.00 0.00 H new ATOM 0 HA ILE A 47 22.338 30.479 23.717 1.00 0.00 H new ATOM 0 HB ILE A 47 25.247 30.535 24.273 1.00 0.00 H new ATOM 0 HG12 ILE A 47 24.800 32.950 23.216 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.107 32.563 23.453 1.00 0.00 H new ATOM 0 HG21 ILE A 47 25.639 31.380 21.912 1.00 0.00 H new ATOM 0 HG22 ILE A 47 25.082 29.689 21.936 1.00 0.00 H new ATOM 0 HG23 ILE A 47 23.945 30.995 21.526 1.00 0.00 H new ATOM 0 HD11 ILE A 47 23.949 33.964 25.278 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.481 32.361 25.895 1.00 0.00 H new ATOM 0 HD13 ILE A 47 25.200 32.755 25.654 1.00 0.00 H new ATOM 784 N TRP A 48 23.837 27.533 23.883 1.00 0.00 N ATOM 785 CA TRP A 48 23.611 26.192 23.328 1.00 0.00 C ATOM 786 C TRP A 48 22.127 25.792 23.389 1.00 0.00 C ATOM 787 O TRP A 48 21.513 25.619 22.334 1.00 0.00 O ATOM 788 CB TRP A 48 24.526 25.131 23.952 1.00 0.00 C ATOM 789 CG TRP A 48 24.355 23.786 23.311 1.00 0.00 C ATOM 790 CD1 TRP A 48 24.991 23.356 22.196 1.00 0.00 C ATOM 791 CD2 TRP A 48 23.414 22.726 23.669 1.00 0.00 C ATOM 792 NE1 TRP A 48 24.504 22.112 21.844 1.00 0.00 N ATOM 793 CE2 TRP A 48 23.530 21.679 22.712 1.00 0.00 C ATOM 794 CE3 TRP A 48 22.449 22.555 24.683 1.00 0.00 C ATOM 795 CZ2 TRP A 48 22.726 20.534 22.746 1.00 0.00 C ATOM 796 CZ3 TRP A 48 21.605 21.430 24.709 1.00 0.00 C ATOM 797 CH2 TRP A 48 21.740 20.422 23.739 1.00 0.00 C ATOM 0 H TRP A 48 24.484 27.571 24.670 1.00 0.00 H new ATOM 0 HA TRP A 48 23.885 26.242 22.274 1.00 0.00 H new ATOM 0 HB2 TRP A 48 25.565 25.448 23.856 1.00 0.00 H new ATOM 0 HB3 TRP A 48 24.314 25.053 25.018 1.00 0.00 H new ATOM 0 HD1 TRP A 48 25.758 23.900 21.665 1.00 0.00 H new ATOM 0 HE1 TRP A 48 24.828 21.579 21.037 1.00 0.00 H new ATOM 0 HE3 TRP A 48 22.356 23.304 25.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 22.862 19.748 22.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 20.851 21.341 25.477 1.00 0.00 H new ATOM 0 HH2 TRP A 48 21.086 19.563 23.757 1.00 0.00 H new ATOM 808 N PHE A 49 21.524 25.702 24.585 1.00 0.00 N ATOM 809 CA PHE A 49 20.118 25.273 24.735 1.00 0.00 C ATOM 810 C PHE A 49 19.157 26.134 23.902 1.00 0.00 C ATOM 811 O PHE A 49 18.354 25.602 23.132 1.00 0.00 O ATOM 812 CB PHE A 49 19.678 25.274 26.215 1.00 0.00 C ATOM 813 CG PHE A 49 19.935 23.991 26.989 1.00 0.00 C ATOM 814 CD1 PHE A 49 21.137 23.825 27.693 1.00 0.00 C ATOM 815 CD2 PHE A 49 18.951 22.983 27.062 1.00 0.00 C ATOM 816 CE1 PHE A 49 21.374 22.664 28.450 1.00 0.00 C ATOM 817 CE2 PHE A 49 19.179 21.825 27.832 1.00 0.00 C ATOM 818 CZ PHE A 49 20.396 21.660 28.519 1.00 0.00 C ATOM 0 H PHE A 49 21.987 25.921 25.467 1.00 0.00 H new ATOM 0 HA PHE A 49 20.069 24.252 24.358 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.189 26.091 26.725 1.00 0.00 H new ATOM 0 HB3 PHE A 49 18.611 25.492 26.256 1.00 0.00 H new ATOM 0 HD1 PHE A 49 21.890 24.599 27.653 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.020 23.099 26.526 1.00 0.00 H new ATOM 0 HE1 PHE A 49 22.308 22.545 28.978 1.00 0.00 H new ATOM 0 HE2 PHE A 49 18.417 21.062 27.895 1.00 0.00 H new ATOM 0 HZ PHE A 49 20.576 20.765 29.096 1.00 0.00 H new ATOM 828 N GLN A 50 19.253 27.463 24.007 1.00 0.00 N ATOM 829 CA GLN A 50 18.442 28.406 23.234 1.00 0.00 C ATOM 830 C GLN A 50 18.662 28.260 21.722 1.00 0.00 C ATOM 831 O GLN A 50 17.683 28.372 20.984 1.00 0.00 O ATOM 832 CB GLN A 50 18.727 29.855 23.675 1.00 0.00 C ATOM 833 CG GLN A 50 18.272 30.201 25.107 1.00 0.00 C ATOM 834 CD GLN A 50 16.758 30.348 25.232 1.00 0.00 C ATOM 835 OE1 GLN A 50 16.021 29.384 25.372 1.00 0.00 O ATOM 836 NE2 GLN A 50 16.219 31.545 25.208 1.00 0.00 N ATOM 0 H GLN A 50 19.907 27.920 24.642 1.00 0.00 H new ATOM 0 HA GLN A 50 17.398 28.168 23.437 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.798 30.039 23.596 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.235 30.534 22.979 1.00 0.00 H new ATOM 0 HG2 GLN A 50 18.614 29.422 25.789 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.749 31.130 25.419 1.00 0.00 H new ATOM 0 HE21 GLN A 50 16.810 32.368 25.092 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.209 31.652 25.305 1.00 0.00 H new ATOM 845 N ASN A 51 19.877 27.951 21.228 1.00 0.00 N ATOM 846 CA ASN A 51 20.038 27.629 19.809 1.00 0.00 C ATOM 847 C ASN A 51 19.284 26.352 19.432 1.00 0.00 C ATOM 848 O ASN A 51 18.481 26.420 18.507 1.00 0.00 O ATOM 849 CB ASN A 51 21.513 27.569 19.385 1.00 0.00 C ATOM 850 CG ASN A 51 22.013 28.938 18.971 1.00 0.00 C ATOM 851 OD1 ASN A 51 21.721 29.441 17.896 1.00 0.00 O ATOM 852 ND2 ASN A 51 22.750 29.603 19.818 1.00 0.00 N ATOM 0 H ASN A 51 20.735 27.919 21.778 1.00 0.00 H new ATOM 0 HA ASN A 51 19.589 28.449 19.248 1.00 0.00 H new ATOM 0 HB2 ASN A 51 22.117 27.191 20.209 1.00 0.00 H new ATOM 0 HB3 ASN A 51 21.629 26.869 18.557 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.080 30.539 19.582 1.00 0.00 H new ATOM 0 HD22 ASN A 51 22.996 29.187 20.716 1.00 0.00 H new ATOM 859 N ARG A 52 19.463 25.222 20.132 1.00 0.00 N ATOM 860 CA ARG A 52 18.745 23.974 19.788 1.00 0.00 C ATOM 861 C ARG A 52 17.227 24.165 19.844 1.00 0.00 C ATOM 862 O ARG A 52 16.512 23.832 18.899 1.00 0.00 O ATOM 863 CB ARG A 52 19.178 22.800 20.688 1.00 0.00 C ATOM 864 CG ARG A 52 20.694 22.597 20.835 1.00 0.00 C ATOM 865 CD ARG A 52 21.476 22.304 19.548 1.00 0.00 C ATOM 866 NE ARG A 52 21.524 20.855 19.272 1.00 0.00 N ATOM 867 CZ ARG A 52 22.272 20.203 18.401 1.00 0.00 C ATOM 868 NH1 ARG A 52 23.032 20.784 17.516 1.00 0.00 N ATOM 869 NH2 ARG A 52 22.269 18.908 18.434 1.00 0.00 N ATOM 0 H ARG A 52 20.090 25.141 20.932 1.00 0.00 H new ATOM 0 HA ARG A 52 19.016 23.726 18.762 1.00 0.00 H new ATOM 0 HB2 ARG A 52 18.752 22.951 21.680 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.744 21.882 20.291 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.115 23.492 21.293 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.862 21.774 21.530 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.009 22.821 18.710 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.490 22.694 19.639 1.00 0.00 H new ATOM 0 HE ARG A 52 20.894 20.279 19.830 1.00 0.00 H new ATOM 0 HH11 ARG A 52 23.073 21.802 17.468 1.00 0.00 H new ATOM 0 HH12 ARG A 52 23.586 20.221 16.871 1.00 0.00 H new ATOM 0 HH21 ARG A 52 21.698 18.417 19.122 1.00 0.00 H new ATOM 0 HH22 ARG A 52 22.838 18.380 17.772 1.00 0.00 H new ATOM 883 N ARG A 53 16.723 24.778 20.918 1.00 0.00 N ATOM 884 CA ARG A 53 15.295 25.066 21.132 1.00 0.00 C ATOM 885 C ARG A 53 14.712 26.033 20.090 1.00 0.00 C ATOM 886 O ARG A 53 13.569 25.837 19.679 1.00 0.00 O ATOM 887 CB ARG A 53 15.117 25.517 22.598 1.00 0.00 C ATOM 888 CG ARG A 53 13.727 25.259 23.201 1.00 0.00 C ATOM 889 CD ARG A 53 12.714 26.376 22.928 1.00 0.00 C ATOM 890 NE ARG A 53 11.417 26.080 23.561 1.00 0.00 N ATOM 891 CZ ARG A 53 10.436 25.334 23.091 1.00 0.00 C ATOM 892 NH1 ARG A 53 10.492 24.752 21.928 1.00 0.00 N ATOM 893 NH2 ARG A 53 9.347 25.139 23.768 1.00 0.00 N ATOM 0 H ARG A 53 17.311 25.099 21.687 1.00 0.00 H new ATOM 0 HA ARG A 53 14.704 24.163 20.975 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.861 25.007 23.210 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.330 26.584 22.661 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.337 24.323 22.802 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.828 25.129 24.278 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.100 27.322 23.307 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.579 26.495 21.853 1.00 0.00 H new ATOM 0 HE ARG A 53 11.258 26.504 24.475 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.318 24.864 21.341 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.709 24.184 21.604 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.234 25.567 24.687 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.603 24.558 23.381 1.00 0.00 H new ATOM 907 N ALA A 54 15.476 27.020 19.608 1.00 0.00 N ATOM 908 CA ALA A 54 15.105 27.830 18.435 1.00 0.00 C ATOM 909 C ALA A 54 15.151 27.044 17.104 1.00 0.00 C ATOM 910 O ALA A 54 14.184 27.056 16.339 1.00 0.00 O ATOM 911 CB ALA A 54 16.014 29.065 18.374 1.00 0.00 C ATOM 0 H ALA A 54 16.372 27.283 20.019 1.00 0.00 H new ATOM 0 HA ALA A 54 14.065 28.132 18.559 1.00 0.00 H new ATOM 0 HB1 ALA A 54 15.747 29.671 17.508 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.889 29.654 19.282 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.053 28.748 18.288 1.00 0.00 H new ATOM 917 N LYS A 55 16.253 26.326 16.836 1.00 0.00 N ATOM 918 CA LYS A 55 16.501 25.469 15.658 1.00 0.00 C ATOM 919 C LYS A 55 15.405 24.413 15.468 1.00 0.00 C ATOM 920 O LYS A 55 15.099 24.047 14.337 1.00 0.00 O ATOM 921 CB LYS A 55 17.892 24.823 15.823 1.00 0.00 C ATOM 922 CG LYS A 55 18.532 24.229 14.557 1.00 0.00 C ATOM 923 CD LYS A 55 19.764 23.396 14.953 1.00 0.00 C ATOM 924 CE LYS A 55 20.714 23.101 13.784 1.00 0.00 C ATOM 925 NZ LYS A 55 21.748 24.152 13.626 1.00 0.00 N ATOM 0 H LYS A 55 17.048 26.326 17.475 1.00 0.00 H new ATOM 0 HA LYS A 55 16.479 26.079 14.755 1.00 0.00 H new ATOM 0 HB2 LYS A 55 18.570 25.574 16.227 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.813 24.031 16.568 1.00 0.00 H new ATOM 0 HG2 LYS A 55 17.811 23.605 14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 55 18.823 25.027 13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 55 20.314 23.925 15.731 1.00 0.00 H new ATOM 0 HD3 LYS A 55 19.430 22.452 15.384 1.00 0.00 H new ATOM 0 HE2 LYS A 55 21.198 22.138 13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 55 20.139 23.018 12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.367 23.912 12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 21.288 25.067 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 22.315 24.215 14.496 1.00 0.00 H new ATOM 939 N LEU A 56 14.769 23.970 16.557 1.00 0.00 N ATOM 940 CA LEU A 56 13.574 23.123 16.554 1.00 0.00 C ATOM 941 C LEU A 56 12.400 23.778 15.799 1.00 0.00 C ATOM 942 O LEU A 56 11.845 23.146 14.901 1.00 0.00 O ATOM 943 CB LEU A 56 13.249 22.748 18.016 1.00 0.00 C ATOM 944 CG LEU A 56 12.298 21.546 18.190 1.00 0.00 C ATOM 945 CD1 LEU A 56 12.485 20.953 19.589 1.00 0.00 C ATOM 946 CD2 LEU A 56 10.823 21.928 18.059 1.00 0.00 C ATOM 0 H LEU A 56 15.085 24.200 17.499 1.00 0.00 H new ATOM 0 HA LEU A 56 13.763 22.204 15.999 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.183 22.530 18.534 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.807 23.615 18.507 1.00 0.00 H new ATOM 0 HG LEU A 56 12.547 20.837 17.400 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.815 20.103 19.716 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.517 20.623 19.709 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.257 21.711 20.339 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.204 21.040 18.191 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.569 22.664 18.821 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.643 22.352 17.071 1.00 0.00 H new ATOM 958 N LYS A 57 12.035 25.038 16.106 1.00 0.00 N ATOM 959 CA LYS A 57 10.933 25.755 15.418 1.00 0.00 C ATOM 960 C LYS A 57 11.209 25.923 13.919 1.00 0.00 C ATOM 961 O LYS A 57 10.324 25.688 13.101 1.00 0.00 O ATOM 962 CB LYS A 57 10.609 27.108 16.099 1.00 0.00 C ATOM 963 CG LYS A 57 9.163 27.586 15.813 1.00 0.00 C ATOM 964 CD LYS A 57 8.979 28.803 14.884 1.00 0.00 C ATOM 965 CE LYS A 57 9.148 30.150 15.610 1.00 0.00 C ATOM 966 NZ LYS A 57 8.577 31.281 14.835 1.00 0.00 N ATOM 0 H LYS A 57 12.491 25.589 16.834 1.00 0.00 H new ATOM 0 HA LYS A 57 10.043 25.132 15.511 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.750 27.012 17.176 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.313 27.864 15.751 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.613 26.750 15.382 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.692 27.819 16.768 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.701 28.743 14.070 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.987 28.762 14.434 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.663 30.099 16.585 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.207 30.333 15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.714 32.167 15.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.056 31.348 13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.560 31.121 14.685 1.00 0.00 H new ATOM 980 N ARG A 58 12.458 26.226 13.547 1.00 0.00 N ATOM 981 CA ARG A 58 12.976 26.144 12.165 1.00 0.00 C ATOM 982 C ARG A 58 13.344 24.698 11.766 1.00 0.00 C ATOM 983 O ARG A 58 14.460 24.423 11.333 1.00 0.00 O ATOM 984 CB ARG A 58 14.126 27.169 11.982 1.00 0.00 C ATOM 985 CG ARG A 58 13.587 28.578 11.671 1.00 0.00 C ATOM 986 CD ARG A 58 13.239 28.721 10.178 1.00 0.00 C ATOM 987 NE ARG A 58 12.226 29.764 9.941 1.00 0.00 N ATOM 988 CZ ARG A 58 11.492 29.934 8.857 1.00 0.00 C ATOM 989 NH1 ARG A 58 11.714 29.278 7.756 1.00 0.00 N ATOM 990 NH2 ARG A 58 10.485 30.752 8.869 1.00 0.00 N ATOM 0 H ARG A 58 13.161 26.545 14.214 1.00 0.00 H new ATOM 0 HA ARG A 58 12.187 26.420 11.465 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.732 27.202 12.888 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.780 26.842 11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.701 28.773 12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.331 29.325 11.947 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.143 28.960 9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.872 27.767 9.799 1.00 0.00 H new ATOM 0 HE ARG A 58 12.075 30.429 10.699 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.478 28.604 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.124 29.438 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.257 31.268 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.921 30.879 8.028 1.00 0.00 H new ATOM 1004 N SER A 59 12.397 23.768 11.880 1.00 0.00 N ATOM 1005 CA SER A 59 12.444 22.438 11.247 1.00 0.00 C ATOM 1006 C SER A 59 11.031 21.927 10.933 1.00 0.00 C ATOM 1007 O SER A 59 10.052 22.544 11.351 1.00 0.00 O ATOM 1008 CB SER A 59 13.227 21.445 12.115 1.00 0.00 C ATOM 1009 OG SER A 59 12.526 21.046 13.277 1.00 0.00 O ATOM 0 H SER A 59 11.550 23.917 12.429 1.00 0.00 H new ATOM 0 HA SER A 59 12.974 22.531 10.299 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.465 20.562 11.521 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.175 21.897 12.408 1.00 0.00 H new ATOM 0 HG SER A 59 12.340 21.832 13.832 1.00 0.00 H new ATOM 1015 N HIS A 60 10.906 20.827 10.183 1.00 0.00 N ATOM 1016 CA HIS A 60 9.613 20.308 9.715 1.00 0.00 C ATOM 1017 C HIS A 60 9.548 18.769 9.690 1.00 0.00 C ATOM 1018 O HIS A 60 9.703 18.145 8.641 1.00 0.00 O ATOM 1019 CB HIS A 60 9.234 20.961 8.366 1.00 0.00 C ATOM 1020 CG HIS A 60 10.315 21.074 7.306 1.00 0.00 C ATOM 1021 ND1 HIS A 60 10.396 22.088 6.373 1.00 0.00 N ATOM 1022 CD2 HIS A 60 11.369 20.227 7.076 1.00 0.00 C ATOM 1023 CE1 HIS A 60 11.482 21.870 5.613 1.00 0.00 C ATOM 1024 NE2 HIS A 60 12.109 20.754 6.013 1.00 0.00 N ATOM 0 H HIS A 60 11.703 20.267 9.881 1.00 0.00 H new ATOM 0 HA HIS A 60 8.855 20.594 10.445 1.00 0.00 H new ATOM 0 HB2 HIS A 60 8.406 20.394 7.941 1.00 0.00 H new ATOM 0 HB3 HIS A 60 8.861 21.964 8.573 1.00 0.00 H new ATOM 0 HD2 HIS A 60 11.588 19.318 7.617 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.804 22.502 4.798 1.00 0.00 H new ATOM 0 HE2 HIS A 60 12.964 20.364 5.617 1.00 0.00 H new ATOM 1032 N ARG A 61 9.275 18.152 10.847 1.00 0.00 N ATOM 1033 CA ARG A 61 8.896 16.731 10.987 1.00 0.00 C ATOM 1034 C ARG A 61 7.815 16.589 12.066 1.00 0.00 C ATOM 1035 O ARG A 61 7.611 17.506 12.862 1.00 0.00 O ATOM 1036 CB ARG A 61 10.157 15.872 11.267 1.00 0.00 C ATOM 1037 CG ARG A 61 10.234 14.564 10.449 1.00 0.00 C ATOM 1038 CD ARG A 61 9.685 13.307 11.139 1.00 0.00 C ATOM 1039 NE ARG A 61 10.635 12.730 12.109 1.00 0.00 N ATOM 1040 CZ ARG A 61 10.351 12.064 13.214 1.00 0.00 C ATOM 1041 NH1 ARG A 61 9.152 11.881 13.665 1.00 0.00 N ATOM 1042 NH2 ARG A 61 11.303 11.531 13.911 1.00 0.00 N ATOM 0 H ARG A 61 9.312 18.639 11.742 1.00 0.00 H new ATOM 0 HA ARG A 61 8.466 16.359 10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.043 16.470 11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.185 15.624 12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.690 14.709 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.276 14.384 10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.755 13.555 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.444 12.559 10.384 1.00 0.00 H new ATOM 0 HE ARG A 61 11.625 12.860 11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.353 12.262 13.159 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.006 11.355 14.527 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.272 11.625 13.607 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.084 11.017 14.764 1.00 0.00 H new ATOM 1056 N GLU A 62 7.132 15.453 12.091 1.00 0.00 N ATOM 1057 CA GLU A 62 6.044 15.116 13.016 1.00 0.00 C ATOM 1058 C GLU A 62 6.216 13.663 13.495 1.00 0.00 C ATOM 1059 O GLU A 62 6.704 12.825 12.733 1.00 0.00 O ATOM 1060 CB GLU A 62 4.725 15.317 12.251 1.00 0.00 C ATOM 1061 CG GLU A 62 3.454 15.078 13.078 1.00 0.00 C ATOM 1062 CD GLU A 62 2.194 15.308 12.231 1.00 0.00 C ATOM 1063 OE1 GLU A 62 2.172 14.918 11.039 1.00 0.00 O ATOM 1064 OE2 GLU A 62 1.188 15.847 12.735 1.00 0.00 O ATOM 0 H GLU A 62 7.328 14.698 11.434 1.00 0.00 H new ATOM 0 HA GLU A 62 6.049 15.750 13.903 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.700 16.334 11.860 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.714 14.645 11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.455 14.059 13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.445 15.747 13.939 1.00 0.00 H new ATOM 1071 N SER A 63 5.836 13.349 14.737 1.00 0.00 N ATOM 1072 CA SER A 63 5.967 12.002 15.323 1.00 0.00 C ATOM 1073 C SER A 63 4.614 11.318 15.492 1.00 0.00 C ATOM 1074 O SER A 63 3.633 11.938 15.904 1.00 0.00 O ATOM 1075 CB SER A 63 6.680 12.056 16.674 1.00 0.00 C ATOM 1076 OG SER A 63 8.023 12.456 16.494 1.00 0.00 O ATOM 0 H SER A 63 5.423 14.028 15.376 1.00 0.00 H new ATOM 0 HA SER A 63 6.563 11.416 14.624 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.169 12.755 17.337 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.644 11.078 17.153 1.00 0.00 H new ATOM 0 HG SER A 63 8.474 12.490 17.364 1.00 0.00 H new ATOM 1082 N GLN A 64 4.557 10.022 15.187 1.00 0.00 N ATOM 1083 CA GLN A 64 3.325 9.238 15.265 1.00 0.00 C ATOM 1084 C GLN A 64 3.006 8.830 16.715 1.00 0.00 C ATOM 1085 O GLN A 64 3.875 8.356 17.452 1.00 0.00 O ATOM 1086 CB GLN A 64 3.430 8.051 14.300 1.00 0.00 C ATOM 1087 CG GLN A 64 2.107 7.285 14.150 1.00 0.00 C ATOM 1088 CD GLN A 64 2.068 6.495 12.847 1.00 0.00 C ATOM 1089 OE1 GLN A 64 3.002 5.807 12.464 1.00 0.00 O ATOM 1090 NE2 GLN A 64 1.006 6.585 12.080 1.00 0.00 N ATOM 0 H GLN A 64 5.367 9.485 14.878 1.00 0.00 H new ATOM 0 HA GLN A 64 2.475 9.845 14.952 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.748 8.411 13.322 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.202 7.368 14.655 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.980 6.606 14.993 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.273 7.987 14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.211 7.152 12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.976 6.088 11.190 1.00 0.00 H new ATOM 1099 N PHE A 65 1.755 9.063 17.120 1.00 0.00 N ATOM 1100 CA PHE A 65 1.233 8.849 18.475 1.00 0.00 C ATOM 1101 C PHE A 65 1.124 7.353 18.861 1.00 0.00 C ATOM 1102 O PHE A 65 1.268 6.472 18.014 1.00 0.00 O ATOM 1103 CB PHE A 65 -0.121 9.578 18.559 1.00 0.00 C ATOM 1104 CG PHE A 65 -0.492 10.075 19.942 1.00 0.00 C ATOM 1105 CD1 PHE A 65 0.054 11.281 20.425 1.00 0.00 C ATOM 1106 CD2 PHE A 65 -1.394 9.352 20.741 1.00 0.00 C ATOM 1107 CE1 PHE A 65 -0.299 11.755 21.700 1.00 0.00 C ATOM 1108 CE2 PHE A 65 -1.721 9.807 22.030 1.00 0.00 C ATOM 1109 CZ PHE A 65 -1.180 11.013 22.507 1.00 0.00 C ATOM 0 H PHE A 65 1.044 9.423 16.483 1.00 0.00 H new ATOM 0 HA PHE A 65 1.932 9.257 19.204 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.103 10.427 17.876 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.903 8.904 18.209 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.745 11.842 19.814 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.838 8.443 20.363 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.106 12.689 22.060 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.388 9.230 22.654 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.441 11.370 23.493 1.00 0.00 H new ATOM 1119 N LEU A 66 0.843 7.065 20.138 1.00 0.00 N ATOM 1120 CA LEU A 66 0.767 5.711 20.716 1.00 0.00 C ATOM 1121 C LEU A 66 -0.446 5.561 21.664 1.00 0.00 C ATOM 1122 O LEU A 66 -1.205 6.510 21.854 1.00 0.00 O ATOM 1123 CB LEU A 66 2.114 5.413 21.418 1.00 0.00 C ATOM 1124 CG LEU A 66 2.529 3.928 21.421 1.00 0.00 C ATOM 1125 CD1 LEU A 66 3.002 3.468 20.041 1.00 0.00 C ATOM 1126 CD2 LEU A 66 3.670 3.703 22.411 1.00 0.00 C ATOM 0 H LEU A 66 0.655 7.794 20.826 1.00 0.00 H new ATOM 0 HA LEU A 66 0.606 4.976 19.928 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.897 5.993 20.931 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.055 5.761 22.449 1.00 0.00 H new ATOM 0 HG LEU A 66 1.649 3.352 21.707 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.285 2.416 20.085 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.196 3.596 19.319 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.862 4.063 19.734 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.955 2.651 22.405 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.527 4.313 22.124 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.344 3.985 23.412 1.00 0.00 H new ATOM 1138 N MET A 67 -0.642 4.375 22.254 1.00 0.00 N ATOM 1139 CA MET A 67 -1.736 4.048 23.185 1.00 0.00 C ATOM 1140 C MET A 67 -1.215 3.406 24.465 1.00 0.00 C ATOM 1141 O MET A 67 -1.540 3.935 25.549 1.00 0.00 O ATOM 1142 CB MET A 67 -2.779 3.152 22.490 1.00 0.00 C ATOM 1143 CG MET A 67 -3.570 3.915 21.419 1.00 0.00 C ATOM 1144 SD MET A 67 -4.715 2.910 20.430 1.00 0.00 S ATOM 1145 CE MET A 67 -5.841 2.287 21.711 1.00 0.00 C ATOM 1146 OXT MET A 67 -0.504 2.378 24.392 1.00 0.00 O ATOM 0 H MET A 67 -0.019 3.584 22.091 1.00 0.00 H new ATOM 0 HA MET A 67 -2.222 4.980 23.475 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.277 2.300 22.032 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.468 2.753 23.234 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.138 4.707 21.907 1.00 0.00 H new ATOM 0 HG3 MET A 67 -2.863 4.398 20.745 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.669 1.757 21.241 1.00 0.00 H new ATOM 0 HE2 MET A 67 -5.302 1.606 22.370 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.229 3.123 22.292 1.00 0.00 H new TER 1156 MET A 67