USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot -90:sc= 1.56 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.739 K(o=2.3,f=-3.9!) USER MOD Set 2.1: A 7 THR OG1 : rot -163:sc= 0.571 USER MOD Set 2.2: A 9 THR OG1 : rot -25:sc= -1.23 USER MOD Single : A 1 MET CE :methyl -147:sc= -0.05 (180deg=-0.568) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.08 (180deg=0.173) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -0.112 (180deg=-0.593) USER MOD Single : A 11 LYS NZ :NH3+ -165:sc=-0.00493 (180deg=-0.29) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -68:sc= 1.74 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= -5.54! (180deg=-7.75!) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0654 (180deg=-0.544) USER MOD Single : A 31 GLN : amide:sc= -0.0709 K(o=-0.071,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.134) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 41 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.0511 (180deg=-0.472) USER MOD Single : A 49 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.5!) USER MOD Single : A 55 THR OG1 : rot 27:sc= 0.563 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.4!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.273 31.117 2.433 1.00 0.00 N ATOM 2 CA MET A 1 33.297 32.463 3.071 1.00 0.00 C ATOM 3 C MET A 1 34.022 32.374 4.408 1.00 0.00 C ATOM 4 O MET A 1 34.250 31.282 4.932 1.00 0.00 O ATOM 5 CB MET A 1 31.863 32.952 3.288 1.00 0.00 C ATOM 6 CG MET A 1 31.048 31.873 4.007 1.00 0.00 C ATOM 7 SD MET A 1 29.369 32.488 4.308 1.00 0.00 S ATOM 8 CE MET A 1 29.161 31.839 5.987 1.00 0.00 C ATOM 0 H1 MET A 1 32.437 31.038 1.819 1.00 0.00 H new ATOM 0 H2 MET A 1 34.134 30.987 1.864 1.00 0.00 H new ATOM 0 H3 MET A 1 33.232 30.384 3.170 1.00 0.00 H new ATOM 0 HA MET A 1 33.820 33.167 2.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.867 33.869 3.877 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.402 33.190 2.330 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.012 30.966 3.404 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.525 31.609 4.951 1.00 0.00 H new ATOM 0 HE1 MET A 1 28.116 31.573 6.147 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.785 30.954 6.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.457 32.599 6.710 1.00 0.00 H new ATOM 20 N GLN A 2 34.392 33.530 4.960 1.00 0.00 N ATOM 21 CA GLN A 2 35.096 33.582 6.238 1.00 0.00 C ATOM 22 C GLN A 2 34.252 34.312 7.281 1.00 0.00 C ATOM 23 O GLN A 2 33.411 35.145 6.944 1.00 0.00 O ATOM 24 CB GLN A 2 36.425 34.320 6.060 1.00 0.00 C ATOM 25 CG GLN A 2 37.336 33.527 5.119 1.00 0.00 C ATOM 26 CD GLN A 2 38.539 34.375 4.720 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.882 35.333 5.414 1.00 0.00 O ATOM 28 NE2 GLN A 2 39.205 34.081 3.636 1.00 0.00 N ATOM 0 H GLN A 2 34.215 34.443 4.540 1.00 0.00 H new ATOM 0 HA GLN A 2 35.279 32.563 6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.247 35.316 5.655 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.911 34.451 7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.671 32.613 5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.781 33.227 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.920 33.287 3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 2 40.010 34.645 3.363 1.00 0.00 H new ATOM 37 N ILE A 3 34.507 34.008 8.550 1.00 0.00 N ATOM 38 CA ILE A 3 33.794 34.656 9.650 1.00 0.00 C ATOM 39 C ILE A 3 34.650 34.645 10.902 1.00 0.00 C ATOM 40 O ILE A 3 35.694 33.999 10.949 1.00 0.00 O ATOM 41 CB ILE A 3 32.443 33.981 9.938 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.627 32.454 10.045 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.441 34.331 8.826 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.269 31.752 9.958 1.00 0.00 C ATOM 0 H ILE A 3 35.200 33.319 8.843 1.00 0.00 H new ATOM 0 HA ILE A 3 33.594 35.684 9.349 1.00 0.00 H new ATOM 0 HB ILE A 3 32.052 34.346 10.888 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.279 32.102 9.246 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.114 32.204 10.987 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.485 33.851 9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.304 35.412 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.823 33.979 7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.411 30.674 10.035 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.630 32.093 10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.797 31.989 9.004 1.00 0.00 H new ATOM 56 N PHE A 4 34.198 35.372 11.917 1.00 0.00 N ATOM 57 CA PHE A 4 34.924 35.461 13.184 1.00 0.00 C ATOM 58 C PHE A 4 34.141 34.782 14.299 1.00 0.00 C ATOM 59 O PHE A 4 32.918 34.914 14.381 1.00 0.00 O ATOM 60 CB PHE A 4 35.138 36.930 13.548 1.00 0.00 C ATOM 61 CG PHE A 4 35.985 37.602 12.494 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.376 38.218 11.394 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.379 37.618 12.622 1.00 0.00 C ATOM 64 CE1 PHE A 4 36.160 38.850 10.422 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.164 38.249 11.649 1.00 0.00 C ATOM 66 CZ PHE A 4 37.555 38.866 10.549 1.00 0.00 C ATOM 0 H PHE A 4 33.332 35.910 11.890 1.00 0.00 H new ATOM 0 HA PHE A 4 35.885 34.960 13.069 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.177 37.437 13.632 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.624 37.006 14.521 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.301 38.205 11.295 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.849 37.144 13.471 1.00 0.00 H new ATOM 0 HE1 PHE A 4 35.689 39.325 9.574 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.239 38.260 11.747 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.160 39.354 9.799 1.00 0.00 H new ATOM 76 N VAL A 5 34.855 34.071 15.173 1.00 0.00 N ATOM 77 CA VAL A 5 34.230 33.388 16.302 1.00 0.00 C ATOM 78 C VAL A 5 34.739 33.995 17.598 1.00 0.00 C ATOM 79 O VAL A 5 35.945 34.120 17.814 1.00 0.00 O ATOM 80 CB VAL A 5 34.546 31.889 16.254 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.140 31.225 17.578 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.748 31.252 15.114 1.00 0.00 C ATOM 0 H VAL A 5 35.867 33.954 15.119 1.00 0.00 H new ATOM 0 HA VAL A 5 33.148 33.511 16.248 1.00 0.00 H new ATOM 0 HB VAL A 5 35.615 31.749 16.094 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.368 30.160 17.536 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.693 31.682 18.399 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.071 31.361 17.740 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.965 30.185 15.070 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.682 31.399 15.290 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.028 31.718 14.169 1.00 0.00 H new ATOM 92 N LYS A 6 33.801 34.388 18.442 1.00 0.00 N ATOM 93 CA LYS A 6 34.124 35.012 19.723 1.00 0.00 C ATOM 94 C LYS A 6 33.825 34.058 20.876 1.00 0.00 C ATOM 95 O LYS A 6 32.744 33.473 20.939 1.00 0.00 O ATOM 96 CB LYS A 6 33.280 36.278 19.874 1.00 0.00 C ATOM 97 CG LYS A 6 33.854 37.162 20.976 1.00 0.00 C ATOM 98 CD LYS A 6 33.005 38.430 21.090 1.00 0.00 C ATOM 99 CE LYS A 6 33.354 39.178 22.378 1.00 0.00 C ATOM 100 NZ LYS A 6 32.913 38.375 23.553 1.00 0.00 N ATOM 0 H LYS A 6 32.801 34.287 18.266 1.00 0.00 H new ATOM 0 HA LYS A 6 35.186 35.258 19.748 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.260 36.825 18.932 1.00 0.00 H new ATOM 0 HB3 LYS A 6 32.250 36.012 20.110 1.00 0.00 H new ATOM 0 HG2 LYS A 6 33.859 36.626 21.925 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.889 37.421 20.751 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.179 39.073 20.227 1.00 0.00 H new ATOM 0 HD3 LYS A 6 31.946 38.171 21.086 1.00 0.00 H new ATOM 0 HE2 LYS A 6 34.428 39.356 22.428 1.00 0.00 H new ATOM 0 HE3 LYS A 6 32.868 40.154 22.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 32.765 39.004 24.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 32.023 37.888 23.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.643 37.672 23.786 1.00 0.00 H new ATOM 114 N THR A 7 34.785 33.906 21.793 1.00 0.00 N ATOM 115 CA THR A 7 34.604 33.022 22.949 1.00 0.00 C ATOM 116 C THR A 7 34.391 33.846 24.216 1.00 0.00 C ATOM 117 O THR A 7 34.400 35.078 24.183 1.00 0.00 O ATOM 118 CB THR A 7 35.829 32.122 23.129 1.00 0.00 C ATOM 119 OG1 THR A 7 36.877 32.863 23.739 1.00 0.00 O ATOM 120 CG2 THR A 7 36.293 31.601 21.768 1.00 0.00 C ATOM 0 H THR A 7 35.688 34.379 21.759 1.00 0.00 H new ATOM 0 HA THR A 7 33.726 32.401 22.771 1.00 0.00 H new ATOM 0 HB THR A 7 35.565 31.277 23.765 1.00 0.00 H new ATOM 0 HG1 THR A 7 37.727 32.392 23.613 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.165 30.961 21.901 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.490 31.028 21.305 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.555 32.442 21.126 1.00 0.00 H new ATOM 128 N LEU A 8 34.212 33.164 25.340 1.00 0.00 N ATOM 129 CA LEU A 8 34.006 33.856 26.604 1.00 0.00 C ATOM 130 C LEU A 8 35.307 34.487 27.098 1.00 0.00 C ATOM 131 O LEU A 8 35.285 35.428 27.893 1.00 0.00 O ATOM 132 CB LEU A 8 33.468 32.877 27.660 1.00 0.00 C ATOM 133 CG LEU A 8 32.836 33.657 28.832 1.00 0.00 C ATOM 134 CD1 LEU A 8 31.363 33.955 28.526 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.930 32.825 30.119 1.00 0.00 C ATOM 0 H LEU A 8 34.205 32.146 25.402 1.00 0.00 H new ATOM 0 HA LEU A 8 33.276 34.650 26.443 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.727 32.216 27.211 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.277 32.245 28.027 1.00 0.00 H new ATOM 0 HG LEU A 8 33.375 34.595 28.965 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.923 34.506 29.357 1.00 0.00 H new ATOM 0 HD12 LEU A 8 31.294 34.553 27.617 1.00 0.00 H new ATOM 0 HD13 LEU A 8 30.824 33.018 28.386 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.483 33.379 30.944 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.398 31.884 29.983 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.977 32.621 30.344 1.00 0.00 H new ATOM 147 N THR A 9 36.441 33.971 26.629 1.00 0.00 N ATOM 148 CA THR A 9 37.736 34.506 27.048 1.00 0.00 C ATOM 149 C THR A 9 38.118 35.725 26.212 1.00 0.00 C ATOM 150 O THR A 9 39.242 36.221 26.306 1.00 0.00 O ATOM 151 CB THR A 9 38.823 33.436 26.918 1.00 0.00 C ATOM 152 OG1 THR A 9 38.939 33.041 25.560 1.00 0.00 O ATOM 153 CG2 THR A 9 38.455 32.225 27.776 1.00 0.00 C ATOM 0 H THR A 9 36.491 33.195 25.969 1.00 0.00 H new ATOM 0 HA THR A 9 37.651 34.808 28.092 1.00 0.00 H new ATOM 0 HB THR A 9 39.775 33.843 27.259 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.093 33.213 25.096 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.230 31.464 27.683 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.370 32.530 28.819 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.502 31.816 27.439 1.00 0.00 H new ATOM 161 N GLY A 10 37.177 36.222 25.411 1.00 0.00 N ATOM 162 CA GLY A 10 37.439 37.396 24.588 1.00 0.00 C ATOM 163 C GLY A 10 38.414 37.076 23.464 1.00 0.00 C ATOM 164 O GLY A 10 39.061 37.971 22.918 1.00 0.00 O ATOM 0 H GLY A 10 36.238 35.834 25.316 1.00 0.00 H new ATOM 0 HA2 GLY A 10 36.503 37.764 24.167 1.00 0.00 H new ATOM 0 HA3 GLY A 10 37.845 38.195 25.209 1.00 0.00 H new ATOM 168 N LYS A 11 38.504 35.799 23.106 1.00 0.00 N ATOM 169 CA LYS A 11 39.388 35.376 22.025 1.00 0.00 C ATOM 170 C LYS A 11 38.649 35.457 20.700 1.00 0.00 C ATOM 171 O LYS A 11 37.518 34.984 20.587 1.00 0.00 O ATOM 172 CB LYS A 11 39.853 33.934 22.253 1.00 0.00 C ATOM 173 CG LYS A 11 40.675 33.844 23.550 1.00 0.00 C ATOM 174 CD LYS A 11 42.138 34.202 23.262 1.00 0.00 C ATOM 175 CE LYS A 11 42.981 33.982 24.516 1.00 0.00 C ATOM 176 NZ LYS A 11 42.533 34.917 25.586 1.00 0.00 N ATOM 0 H LYS A 11 37.979 35.043 23.545 1.00 0.00 H new ATOM 0 HA LYS A 11 40.256 36.034 22.006 1.00 0.00 H new ATOM 0 HB2 LYS A 11 38.990 33.270 22.313 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.454 33.599 21.408 1.00 0.00 H new ATOM 0 HG2 LYS A 11 40.266 34.522 24.299 1.00 0.00 H new ATOM 0 HG3 LYS A 11 40.612 32.837 23.963 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.518 33.589 22.445 1.00 0.00 H new ATOM 0 HD3 LYS A 11 42.211 35.241 22.941 1.00 0.00 H new ATOM 0 HE2 LYS A 11 42.885 32.951 24.856 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.035 34.147 24.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.250 34.953 26.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.404 35.868 25.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 41.632 34.584 25.983 1.00 0.00 H new ATOM 190 N THR A 12 39.288 36.052 19.695 1.00 0.00 N ATOM 191 CA THR A 12 38.682 36.182 18.369 1.00 0.00 C ATOM 192 C THR A 12 39.544 35.459 17.347 1.00 0.00 C ATOM 193 O THR A 12 40.733 35.744 17.203 1.00 0.00 O ATOM 194 CB THR A 12 38.556 37.656 17.977 1.00 0.00 C ATOM 195 OG1 THR A 12 37.780 38.339 18.953 1.00 0.00 O ATOM 196 CG2 THR A 12 37.866 37.761 16.610 1.00 0.00 C ATOM 0 H THR A 12 40.223 36.451 19.772 1.00 0.00 H new ATOM 0 HA THR A 12 37.686 35.740 18.394 1.00 0.00 H new ATOM 0 HB THR A 12 39.547 38.106 17.921 1.00 0.00 H new ATOM 0 HG1 THR A 12 37.700 39.284 18.705 1.00 0.00 H new ATOM 0 HG21 THR A 12 37.775 38.810 16.328 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.459 37.234 15.862 1.00 0.00 H new ATOM 0 HG23 THR A 12 36.874 37.313 16.668 1.00 0.00 H new ATOM 204 N ILE A 13 38.928 34.529 16.636 1.00 0.00 N ATOM 205 CA ILE A 13 39.629 33.760 15.611 1.00 0.00 C ATOM 206 C ILE A 13 38.782 33.657 14.358 1.00 0.00 C ATOM 207 O ILE A 13 37.556 33.573 14.428 1.00 0.00 O ATOM 208 CB ILE A 13 39.964 32.366 16.136 1.00 0.00 C ATOM 209 CG1 ILE A 13 38.698 31.717 16.690 1.00 0.00 C ATOM 210 CG2 ILE A 13 41.011 32.477 17.245 1.00 0.00 C ATOM 211 CD1 ILE A 13 38.969 30.244 16.993 1.00 0.00 C ATOM 0 H ILE A 13 37.944 34.285 16.747 1.00 0.00 H new ATOM 0 HA ILE A 13 40.557 34.275 15.363 1.00 0.00 H new ATOM 0 HB ILE A 13 40.361 31.755 15.325 1.00 0.00 H new ATOM 0 HG12 ILE A 13 38.379 32.233 17.596 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.885 31.807 15.969 1.00 0.00 H new ATOM 0 HG21 ILE A 13 41.250 31.482 17.620 1.00 0.00 H new ATOM 0 HG22 ILE A 13 41.913 32.942 16.848 1.00 0.00 H new ATOM 0 HG23 ILE A 13 40.616 33.086 18.058 1.00 0.00 H new ATOM 0 HD11 ILE A 13 38.065 29.782 17.388 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.267 29.733 16.078 1.00 0.00 H new ATOM 0 HD13 ILE A 13 39.769 30.165 17.729 1.00 0.00 H new ATOM 223 N THR A 14 39.443 33.668 13.210 1.00 0.00 N ATOM 224 CA THR A 14 38.738 33.577 11.934 1.00 0.00 C ATOM 225 C THR A 14 38.702 32.134 11.444 1.00 0.00 C ATOM 226 O THR A 14 39.696 31.410 11.518 1.00 0.00 O ATOM 227 CB THR A 14 39.415 34.467 10.893 1.00 0.00 C ATOM 228 OG1 THR A 14 39.651 35.748 11.462 1.00 0.00 O ATOM 229 CG2 THR A 14 38.496 34.611 9.674 1.00 0.00 C ATOM 0 H THR A 14 40.458 33.738 13.132 1.00 0.00 H new ATOM 0 HA THR A 14 37.714 33.920 12.081 1.00 0.00 H new ATOM 0 HB THR A 14 40.361 34.022 10.584 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.795 36.199 11.618 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.976 35.246 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.305 33.628 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.552 35.062 9.981 1.00 0.00 H new ATOM 237 N LEU A 15 37.534 31.727 10.957 1.00 0.00 N ATOM 238 CA LEU A 15 37.321 30.368 10.458 1.00 0.00 C ATOM 239 C LEU A 15 36.859 30.412 8.999 1.00 0.00 C ATOM 240 O LEU A 15 36.102 31.299 8.603 1.00 0.00 O ATOM 241 CB LEU A 15 36.240 29.684 11.336 1.00 0.00 C ATOM 242 CG LEU A 15 36.853 28.616 12.254 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.827 29.264 13.245 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.724 27.926 13.027 1.00 0.00 C ATOM 0 H LEU A 15 36.710 32.325 10.896 1.00 0.00 H new ATOM 0 HA LEU A 15 38.252 29.804 10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.731 30.436 11.940 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.486 29.226 10.696 1.00 0.00 H new ATOM 0 HG LEU A 15 37.398 27.889 11.652 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.254 28.496 13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.626 29.763 12.696 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.294 29.994 13.854 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.145 27.164 13.683 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.188 28.664 13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.035 27.458 12.324 1.00 0.00 H new ATOM 256 N GLU A 16 37.296 29.428 8.217 1.00 0.00 N ATOM 257 CA GLU A 16 36.899 29.335 6.807 1.00 0.00 C ATOM 258 C GLU A 16 35.857 28.234 6.663 1.00 0.00 C ATOM 259 O GLU A 16 36.113 27.082 7.010 1.00 0.00 O ATOM 260 CB GLU A 16 38.109 29.017 5.920 1.00 0.00 C ATOM 261 CG GLU A 16 37.740 29.232 4.448 1.00 0.00 C ATOM 262 CD GLU A 16 38.950 28.952 3.561 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.880 28.328 4.043 1.00 0.00 O ATOM 264 OE2 GLU A 16 38.928 29.366 2.413 1.00 0.00 O ATOM 0 H GLU A 16 37.922 28.686 8.530 1.00 0.00 H new ATOM 0 HA GLU A 16 36.485 30.292 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.949 29.656 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.428 27.987 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.916 28.575 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.396 30.255 4.296 1.00 0.00 H new ATOM 271 N VAL A 17 34.676 28.595 6.169 1.00 0.00 N ATOM 272 CA VAL A 17 33.600 27.615 6.011 1.00 0.00 C ATOM 273 C VAL A 17 32.742 27.918 4.788 1.00 0.00 C ATOM 274 O VAL A 17 32.781 29.018 4.235 1.00 0.00 O ATOM 275 CB VAL A 17 32.726 27.575 7.284 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.600 27.785 8.524 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.662 28.676 7.240 1.00 0.00 C ATOM 0 H VAL A 17 34.439 29.543 5.875 1.00 0.00 H new ATOM 0 HA VAL A 17 34.057 26.637 5.860 1.00 0.00 H new ATOM 0 HB VAL A 17 32.238 26.601 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.977 27.756 9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.350 26.996 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 17 34.096 28.753 8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 17 31.056 28.632 8.145 1.00 0.00 H new ATOM 0 HG22 VAL A 17 32.148 29.649 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 17 31.024 28.531 6.368 1.00 0.00 H new ATOM 287 N GLU A 18 31.944 26.931 4.392 1.00 0.00 N ATOM 288 CA GLU A 18 31.038 27.073 3.258 1.00 0.00 C ATOM 289 C GLU A 18 29.638 27.387 3.786 1.00 0.00 C ATOM 290 O GLU A 18 29.294 26.989 4.900 1.00 0.00 O ATOM 291 CB GLU A 18 31.008 25.768 2.453 1.00 0.00 C ATOM 292 CG GLU A 18 32.292 25.641 1.632 1.00 0.00 C ATOM 293 CD GLU A 18 32.253 26.604 0.451 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.621 26.272 -0.538 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.854 27.661 0.553 1.00 0.00 O ATOM 0 H GLU A 18 31.907 26.017 4.844 1.00 0.00 H new ATOM 0 HA GLU A 18 31.379 27.879 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.909 24.916 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.140 25.756 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.157 25.856 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.405 24.618 1.274 1.00 0.00 H new ATOM 302 N PRO A 19 28.828 28.084 3.034 1.00 0.00 N ATOM 303 CA PRO A 19 27.447 28.439 3.478 1.00 0.00 C ATOM 304 C PRO A 19 26.566 27.200 3.601 1.00 0.00 C ATOM 305 O PRO A 19 25.476 27.254 4.170 1.00 0.00 O ATOM 306 CB PRO A 19 26.940 29.384 2.375 1.00 0.00 C ATOM 307 CG PRO A 19 27.744 29.026 1.167 1.00 0.00 C ATOM 308 CD PRO A 19 29.118 28.609 1.688 1.00 0.00 C ATOM 0 HA PRO A 19 27.428 28.900 4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.874 29.247 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.085 30.428 2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.274 28.215 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.825 29.873 0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.576 27.852 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.807 29.453 1.726 1.00 0.00 H new ATOM 316 N SER A 20 27.040 26.082 3.047 1.00 0.00 N ATOM 317 CA SER A 20 26.288 24.828 3.078 1.00 0.00 C ATOM 318 C SER A 20 26.877 23.851 4.093 1.00 0.00 C ATOM 319 O SER A 20 26.440 22.703 4.176 1.00 0.00 O ATOM 320 CB SER A 20 26.317 24.190 1.689 1.00 0.00 C ATOM 321 OG SER A 20 25.828 25.122 0.734 1.00 0.00 O ATOM 0 H SER A 20 27.941 26.020 2.572 1.00 0.00 H new ATOM 0 HA SER A 20 25.263 25.051 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 20 27.334 23.891 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 20 25.707 23.287 1.678 1.00 0.00 H new ATOM 0 HG SER A 20 25.847 24.717 -0.158 1.00 0.00 H new ATOM 327 N ASP A 21 27.859 24.302 4.870 1.00 0.00 N ATOM 328 CA ASP A 21 28.471 23.446 5.872 1.00 0.00 C ATOM 329 C ASP A 21 27.444 23.055 6.926 1.00 0.00 C ATOM 330 O ASP A 21 26.533 23.824 7.234 1.00 0.00 O ATOM 331 CB ASP A 21 29.648 24.188 6.523 1.00 0.00 C ATOM 332 CG ASP A 21 30.899 24.091 5.649 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.912 23.271 4.746 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.832 24.831 5.906 1.00 0.00 O ATOM 0 H ASP A 21 28.242 25.246 4.823 1.00 0.00 H new ATOM 0 HA ASP A 21 28.838 22.537 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.385 25.235 6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.852 23.765 7.506 1.00 0.00 H new ATOM 339 N THR A 22 27.595 21.855 7.482 1.00 0.00 N ATOM 340 CA THR A 22 26.673 21.375 8.508 1.00 0.00 C ATOM 341 C THR A 22 27.195 21.747 9.886 1.00 0.00 C ATOM 342 O THR A 22 28.404 21.856 10.089 1.00 0.00 O ATOM 343 CB THR A 22 26.521 19.854 8.415 1.00 0.00 C ATOM 344 OG1 THR A 22 27.793 19.242 8.566 1.00 0.00 O ATOM 345 CG2 THR A 22 25.926 19.475 7.057 1.00 0.00 C ATOM 0 H THR A 22 28.341 21.202 7.242 1.00 0.00 H new ATOM 0 HA THR A 22 25.701 21.841 8.349 1.00 0.00 H new ATOM 0 HB THR A 22 25.855 19.509 9.206 1.00 0.00 H new ATOM 0 HG1 THR A 22 28.217 19.149 7.688 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.820 18.392 6.996 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.948 19.942 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.586 19.820 6.261 1.00 0.00 H new ATOM 353 N ILE A 23 26.285 21.934 10.829 1.00 0.00 N ATOM 354 CA ILE A 23 26.690 22.285 12.182 1.00 0.00 C ATOM 355 C ILE A 23 27.756 21.311 12.666 1.00 0.00 C ATOM 356 O ILE A 23 28.529 21.617 13.567 1.00 0.00 O ATOM 357 CB ILE A 23 25.484 22.243 13.123 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.297 22.977 12.485 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.840 22.913 14.449 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.733 24.359 11.987 1.00 0.00 C ATOM 0 H ILE A 23 25.278 21.851 10.688 1.00 0.00 H new ATOM 0 HA ILE A 23 27.098 23.296 12.179 1.00 0.00 H new ATOM 0 HB ILE A 23 25.211 21.203 13.302 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.902 22.391 11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.492 23.082 13.212 1.00 0.00 H new ATOM 0 HG21 ILE A 23 24.978 22.881 15.116 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.676 22.386 14.910 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.120 23.951 14.269 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.881 24.869 11.537 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.106 24.947 12.826 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.522 24.246 11.244 1.00 0.00 H new ATOM 372 N GLU A 24 27.800 20.140 12.043 1.00 0.00 N ATOM 373 CA GLU A 24 28.785 19.130 12.406 1.00 0.00 C ATOM 374 C GLU A 24 30.145 19.485 11.806 1.00 0.00 C ATOM 375 O GLU A 24 31.142 19.585 12.519 1.00 0.00 O ATOM 376 CB GLU A 24 28.329 17.758 11.902 1.00 0.00 C ATOM 377 CG GLU A 24 27.072 17.327 12.662 1.00 0.00 C ATOM 378 CD GLU A 24 26.522 16.033 12.073 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.840 15.741 10.932 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.790 15.351 12.772 1.00 0.00 O ATOM 0 H GLU A 24 27.169 19.868 11.289 1.00 0.00 H new ATOM 0 HA GLU A 24 28.879 19.097 13.491 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.123 17.802 10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 24 29.122 17.024 12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.306 17.185 13.717 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.317 18.111 12.606 1.00 0.00 H new ATOM 387 N ASN A 25 30.173 19.681 10.490 1.00 0.00 N ATOM 388 CA ASN A 25 31.404 20.030 9.804 1.00 0.00 C ATOM 389 C ASN A 25 32.030 21.275 10.429 1.00 0.00 C ATOM 390 O ASN A 25 33.247 21.354 10.598 1.00 0.00 O ATOM 391 CB ASN A 25 31.101 20.296 8.329 1.00 0.00 C ATOM 392 CG ASN A 25 30.747 18.995 7.620 1.00 0.00 C ATOM 393 OD1 ASN A 25 29.698 18.900 6.982 1.00 0.00 O ATOM 394 ND2 ASN A 25 31.565 17.981 7.691 1.00 0.00 N ATOM 0 H ASN A 25 29.357 19.603 9.883 1.00 0.00 H new ATOM 0 HA ASN A 25 32.107 19.202 9.896 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.275 21.002 8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.966 20.756 7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 25 31.336 17.107 7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.433 18.062 8.220 1.00 0.00 H new ATOM 401 N VAL A 26 31.193 22.252 10.766 1.00 0.00 N ATOM 402 CA VAL A 26 31.690 23.486 11.364 1.00 0.00 C ATOM 403 C VAL A 26 32.233 23.220 12.766 1.00 0.00 C ATOM 404 O VAL A 26 33.263 23.770 13.157 1.00 0.00 O ATOM 405 CB VAL A 26 30.581 24.542 11.414 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.155 25.851 11.949 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.034 24.774 10.003 1.00 0.00 C ATOM 0 H VAL A 26 30.182 22.215 10.638 1.00 0.00 H new ATOM 0 HA VAL A 26 32.502 23.865 10.744 1.00 0.00 H new ATOM 0 HB VAL A 26 29.779 24.196 12.066 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.369 26.605 11.986 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.552 25.691 12.951 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.955 26.193 11.292 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.245 25.525 10.038 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.838 25.122 9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.629 23.841 9.612 1.00 0.00 H new ATOM 417 N LYS A 27 31.551 22.360 13.512 1.00 0.00 N ATOM 418 CA LYS A 27 32.002 22.020 14.853 1.00 0.00 C ATOM 419 C LYS A 27 33.356 21.344 14.762 1.00 0.00 C ATOM 420 O LYS A 27 34.245 21.578 15.580 1.00 0.00 O ATOM 421 CB LYS A 27 30.989 21.092 15.538 1.00 0.00 C ATOM 422 CG LYS A 27 29.848 21.921 16.139 1.00 0.00 C ATOM 423 CD LYS A 27 28.705 20.993 16.575 1.00 0.00 C ATOM 424 CE LYS A 27 27.842 21.699 17.624 1.00 0.00 C ATOM 425 NZ LYS A 27 27.684 23.133 17.253 1.00 0.00 N ATOM 0 H LYS A 27 30.695 21.891 13.216 1.00 0.00 H new ATOM 0 HA LYS A 27 32.087 22.929 15.449 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.591 20.378 14.817 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.482 20.515 16.320 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.212 22.491 16.994 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.484 22.641 15.406 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.096 20.719 15.713 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.110 20.068 16.986 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.865 21.219 17.690 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.305 21.615 18.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.755 23.474 17.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.433 23.694 17.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.754 23.234 16.220 1.00 0.00 H new ATOM 439 N ALA A 28 33.497 20.501 13.752 1.00 0.00 N ATOM 440 CA ALA A 28 34.738 19.782 13.529 1.00 0.00 C ATOM 441 C ALA A 28 35.878 20.770 13.291 1.00 0.00 C ATOM 442 O ALA A 28 36.998 20.560 13.756 1.00 0.00 O ATOM 443 CB ALA A 28 34.565 18.862 12.318 1.00 0.00 C ATOM 0 H ALA A 28 32.764 20.298 13.072 1.00 0.00 H new ATOM 0 HA ALA A 28 34.983 19.183 14.406 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.492 18.316 12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.758 18.155 12.511 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.322 19.459 11.439 1.00 0.00 H new ATOM 449 N LYS A 29 35.576 21.855 12.581 1.00 0.00 N ATOM 450 CA LYS A 29 36.582 22.879 12.309 1.00 0.00 C ATOM 451 C LYS A 29 37.001 23.544 13.618 1.00 0.00 C ATOM 452 O LYS A 29 38.184 23.790 13.864 1.00 0.00 O ATOM 453 CB LYS A 29 36.023 23.950 11.360 1.00 0.00 C ATOM 454 CG LYS A 29 35.877 23.383 9.945 1.00 0.00 C ATOM 455 CD LYS A 29 35.349 24.477 9.007 1.00 0.00 C ATOM 456 CE LYS A 29 35.227 23.917 7.589 1.00 0.00 C ATOM 457 NZ LYS A 29 34.238 22.803 7.580 1.00 0.00 N ATOM 0 H LYS A 29 34.655 22.047 12.188 1.00 0.00 H new ATOM 0 HA LYS A 29 37.442 22.402 11.839 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.055 24.297 11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.686 24.815 11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.839 23.016 9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 29 35.194 22.533 9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.379 24.832 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.023 25.334 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.913 24.703 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.197 23.560 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.912 22.636 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.685 21.939 7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 33.426 23.055 8.179 1.00 0.00 H new ATOM 471 N ILE A 30 36.013 23.812 14.464 1.00 0.00 N ATOM 472 CA ILE A 30 36.267 24.431 15.749 1.00 0.00 C ATOM 473 C ILE A 30 37.070 23.487 16.640 1.00 0.00 C ATOM 474 O ILE A 30 38.047 23.895 17.264 1.00 0.00 O ATOM 475 CB ILE A 30 34.931 24.793 16.407 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.291 25.952 15.633 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.169 25.220 17.857 1.00 0.00 C ATOM 478 CD1 ILE A 30 32.854 26.171 16.116 1.00 0.00 C ATOM 0 H ILE A 30 35.031 23.609 14.279 1.00 0.00 H new ATOM 0 HA ILE A 30 36.852 25.340 15.607 1.00 0.00 H new ATOM 0 HB ILE A 30 34.269 23.927 16.392 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.874 26.862 15.775 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.296 25.734 14.565 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.217 25.477 18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.632 24.400 18.406 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.828 26.088 17.877 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.406 26.996 15.562 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.272 25.264 15.951 1.00 0.00 H new ATOM 0 HD13 ILE A 30 32.860 26.409 17.180 1.00 0.00 H new ATOM 490 N GLN A 31 36.648 22.229 16.702 1.00 0.00 N ATOM 491 CA GLN A 31 37.340 21.246 17.529 1.00 0.00 C ATOM 492 C GLN A 31 38.786 21.091 17.073 1.00 0.00 C ATOM 493 O GLN A 31 39.705 21.048 17.888 1.00 0.00 O ATOM 494 CB GLN A 31 36.635 19.890 17.440 1.00 0.00 C ATOM 495 CG GLN A 31 37.182 18.962 18.528 1.00 0.00 C ATOM 496 CD GLN A 31 36.665 17.543 18.318 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.594 17.349 17.742 1.00 0.00 O ATOM 498 NE2 GLN A 31 37.367 16.532 18.755 1.00 0.00 N ATOM 0 H GLN A 31 35.839 21.868 16.196 1.00 0.00 H new ATOM 0 HA GLN A 31 37.324 21.596 18.561 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.559 20.018 17.562 1.00 0.00 H new ATOM 0 HB3 GLN A 31 36.794 19.449 16.456 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.272 18.967 18.506 1.00 0.00 H new ATOM 0 HG3 GLN A 31 36.881 19.325 19.511 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.254 16.695 19.232 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.028 15.579 18.619 1.00 0.00 H new ATOM 507 N ASP A 32 38.975 20.984 15.767 1.00 0.00 N ATOM 508 CA ASP A 32 40.310 20.810 15.208 1.00 0.00 C ATOM 509 C ASP A 32 41.249 21.939 15.632 1.00 0.00 C ATOM 510 O ASP A 32 42.437 21.708 15.857 1.00 0.00 O ATOM 511 CB ASP A 32 40.231 20.757 13.681 1.00 0.00 C ATOM 512 CG ASP A 32 41.595 20.399 13.099 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.192 19.451 13.581 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.022 21.079 12.180 1.00 0.00 O ATOM 0 H ASP A 32 38.226 21.014 15.076 1.00 0.00 H new ATOM 0 HA ASP A 32 40.712 19.872 15.592 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.490 20.019 13.373 1.00 0.00 H new ATOM 0 HB3 ASP A 32 39.902 21.721 13.292 1.00 0.00 H new ATOM 519 N LYS A 33 40.730 23.165 15.711 1.00 0.00 N ATOM 520 CA LYS A 33 41.569 24.313 16.078 1.00 0.00 C ATOM 521 C LYS A 33 41.624 24.556 17.593 1.00 0.00 C ATOM 522 O LYS A 33 42.658 24.981 18.110 1.00 0.00 O ATOM 523 CB LYS A 33 41.048 25.575 15.385 1.00 0.00 C ATOM 524 CG LYS A 33 41.087 25.379 13.867 1.00 0.00 C ATOM 525 CD LYS A 33 40.766 26.705 13.171 1.00 0.00 C ATOM 526 CE LYS A 33 40.579 26.466 11.670 1.00 0.00 C ATOM 527 NZ LYS A 33 41.879 26.062 11.064 1.00 0.00 N ATOM 0 H LYS A 33 39.752 23.390 15.530 1.00 0.00 H new ATOM 0 HA LYS A 33 42.582 24.081 15.749 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.029 25.786 15.709 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.656 26.435 15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.071 25.025 13.561 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.367 24.617 13.570 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.861 27.140 13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.572 27.419 13.338 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.832 25.689 11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.208 27.372 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.794 26.064 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 42.620 26.733 11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 42.131 25.107 11.389 1.00 0.00 H new ATOM 541 N GLU A 34 40.513 24.333 18.302 1.00 0.00 N ATOM 542 CA GLU A 34 40.473 24.587 19.753 1.00 0.00 C ATOM 543 C GLU A 34 40.558 23.299 20.575 1.00 0.00 C ATOM 544 O GLU A 34 40.769 23.347 21.787 1.00 0.00 O ATOM 545 CB GLU A 34 39.185 25.333 20.112 1.00 0.00 C ATOM 546 CG GLU A 34 38.958 26.478 19.121 1.00 0.00 C ATOM 547 CD GLU A 34 40.135 27.448 19.158 1.00 0.00 C ATOM 548 OE1 GLU A 34 40.540 27.816 20.249 1.00 0.00 O ATOM 549 OE2 GLU A 34 40.613 27.809 18.095 1.00 0.00 O ATOM 0 H GLU A 34 39.640 23.983 17.907 1.00 0.00 H new ATOM 0 HA GLU A 34 41.345 25.193 19.998 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.338 24.647 20.090 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.251 25.725 21.127 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.838 26.079 18.114 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.036 27.004 19.367 1.00 0.00 H new ATOM 556 N GLY A 35 40.438 22.151 19.919 1.00 0.00 N ATOM 557 CA GLY A 35 40.545 20.869 20.613 1.00 0.00 C ATOM 558 C GLY A 35 39.463 20.682 21.678 1.00 0.00 C ATOM 559 O GLY A 35 39.579 19.802 22.531 1.00 0.00 O ATOM 0 H GLY A 35 40.268 22.079 18.916 1.00 0.00 H new ATOM 0 HA2 GLY A 35 40.477 20.060 19.886 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.527 20.795 21.081 1.00 0.00 H new ATOM 563 N ILE A 36 38.416 21.504 21.636 1.00 0.00 N ATOM 564 CA ILE A 36 37.330 21.403 22.609 1.00 0.00 C ATOM 565 C ILE A 36 36.175 20.560 22.046 1.00 0.00 C ATOM 566 O ILE A 36 35.486 21.005 21.128 1.00 0.00 O ATOM 567 CB ILE A 36 36.822 22.809 22.931 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.010 23.734 23.217 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.924 22.755 24.161 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.931 23.099 24.268 1.00 0.00 C ATOM 0 H ILE A 36 38.297 22.243 20.943 1.00 0.00 H new ATOM 0 HA ILE A 36 37.704 20.920 23.511 1.00 0.00 H new ATOM 0 HB ILE A 36 36.259 23.191 22.080 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.567 23.919 22.298 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.652 24.700 23.572 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.562 23.757 24.391 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.076 22.099 23.964 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.491 22.371 25.009 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.772 23.764 24.464 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.373 22.937 25.190 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.303 22.144 23.897 1.00 0.00 H new ATOM 582 N PRO A 37 35.939 19.364 22.557 1.00 0.00 N ATOM 583 CA PRO A 37 34.831 18.494 22.054 1.00 0.00 C ATOM 584 C PRO A 37 33.518 19.275 21.880 1.00 0.00 C ATOM 585 O PRO A 37 33.234 20.199 22.646 1.00 0.00 O ATOM 586 CB PRO A 37 34.699 17.417 23.138 1.00 0.00 C ATOM 587 CG PRO A 37 36.067 17.301 23.728 1.00 0.00 C ATOM 588 CD PRO A 37 36.687 18.702 23.649 1.00 0.00 C ATOM 0 HA PRO A 37 35.043 18.083 21.067 1.00 0.00 H new ATOM 0 HB2 PRO A 37 33.966 17.702 23.892 1.00 0.00 H new ATOM 0 HB3 PRO A 37 34.369 16.468 22.715 1.00 0.00 H new ATOM 0 HG2 PRO A 37 36.018 16.955 24.760 1.00 0.00 H new ATOM 0 HG3 PRO A 37 36.668 16.578 23.178 1.00 0.00 H new ATOM 0 HD2 PRO A 37 36.578 19.240 24.591 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.754 18.655 23.430 1.00 0.00 H new ATOM 596 N PRO A 38 32.718 18.931 20.897 1.00 0.00 N ATOM 597 CA PRO A 38 31.425 19.630 20.627 1.00 0.00 C ATOM 598 C PRO A 38 30.374 19.340 21.694 1.00 0.00 C ATOM 599 O PRO A 38 29.341 20.006 21.757 1.00 0.00 O ATOM 600 CB PRO A 38 31.004 19.082 19.260 1.00 0.00 C ATOM 601 CG PRO A 38 31.594 17.719 19.220 1.00 0.00 C ATOM 602 CD PRO A 38 32.938 17.832 19.936 1.00 0.00 C ATOM 0 HA PRO A 38 31.530 20.715 20.640 1.00 0.00 H new ATOM 0 HB2 PRO A 38 29.919 19.050 19.160 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.381 19.704 18.448 1.00 0.00 H new ATOM 0 HG2 PRO A 38 30.945 16.996 19.715 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.724 17.378 18.193 1.00 0.00 H new ATOM 0 HD2 PRO A 38 33.205 16.903 20.441 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.746 18.061 19.241 1.00 0.00 H new ATOM 610 N ASP A 39 30.640 18.341 22.526 1.00 0.00 N ATOM 611 CA ASP A 39 29.703 17.975 23.578 1.00 0.00 C ATOM 612 C ASP A 39 29.757 18.975 24.727 1.00 0.00 C ATOM 613 O ASP A 39 28.831 19.048 25.535 1.00 0.00 O ATOM 614 CB ASP A 39 30.027 16.576 24.106 1.00 0.00 C ATOM 615 CG ASP A 39 29.093 16.226 25.260 1.00 0.00 C ATOM 616 OD1 ASP A 39 27.908 16.078 25.012 1.00 0.00 O ATOM 617 OD2 ASP A 39 29.576 16.111 26.374 1.00 0.00 O ATOM 0 H ASP A 39 31.488 17.775 22.493 1.00 0.00 H new ATOM 0 HA ASP A 39 28.699 17.983 23.154 1.00 0.00 H new ATOM 0 HB2 ASP A 39 29.921 15.843 23.306 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.064 16.535 24.441 1.00 0.00 H new ATOM 622 N GLN A 40 30.846 19.746 24.802 1.00 0.00 N ATOM 623 CA GLN A 40 31.008 20.737 25.867 1.00 0.00 C ATOM 624 C GLN A 40 30.764 22.147 25.343 1.00 0.00 C ATOM 625 O GLN A 40 30.742 23.105 26.116 1.00 0.00 O ATOM 626 CB GLN A 40 32.430 20.658 26.428 1.00 0.00 C ATOM 627 CG GLN A 40 32.658 19.286 27.065 1.00 0.00 C ATOM 628 CD GLN A 40 34.135 19.105 27.398 1.00 0.00 C ATOM 629 OE1 GLN A 40 34.898 18.588 26.581 1.00 0.00 O ATOM 630 NE2 GLN A 40 34.588 19.504 28.555 1.00 0.00 N ATOM 0 H GLN A 40 31.623 19.703 24.142 1.00 0.00 H new ATOM 0 HA GLN A 40 30.279 20.519 26.648 1.00 0.00 H new ATOM 0 HB2 GLN A 40 33.155 20.825 25.632 1.00 0.00 H new ATOM 0 HB3 GLN A 40 32.583 21.443 27.168 1.00 0.00 H new ATOM 0 HG2 GLN A 40 32.058 19.192 27.970 1.00 0.00 H new ATOM 0 HG3 GLN A 40 32.331 18.501 26.383 1.00 0.00 H new ATOM 0 HE21 GLN A 40 33.955 19.932 29.231 1.00 0.00 H new ATOM 0 HE22 GLN A 40 35.575 19.388 28.784 1.00 0.00 H new ATOM 639 N GLN A 41 30.608 22.277 24.023 1.00 0.00 N ATOM 640 CA GLN A 41 30.398 23.589 23.404 1.00 0.00 C ATOM 641 C GLN A 41 29.040 23.687 22.720 1.00 0.00 C ATOM 642 O GLN A 41 28.527 22.713 22.170 1.00 0.00 O ATOM 643 CB GLN A 41 31.489 23.845 22.363 1.00 0.00 C ATOM 644 CG GLN A 41 32.829 24.061 23.064 1.00 0.00 C ATOM 645 CD GLN A 41 33.915 24.317 22.025 1.00 0.00 C ATOM 646 OE1 GLN A 41 33.903 23.713 20.953 1.00 0.00 O ATOM 647 NE2 GLN A 41 34.859 25.181 22.280 1.00 0.00 N ATOM 0 H GLN A 41 30.623 21.497 23.366 1.00 0.00 H new ATOM 0 HA GLN A 41 30.437 24.334 24.198 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.558 22.999 21.679 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.236 24.720 21.764 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.760 24.906 23.749 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.083 23.186 23.662 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.867 25.680 23.169 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.589 25.357 21.590 1.00 0.00 H new ATOM 656 N ARG A 42 28.485 24.897 22.744 1.00 0.00 N ATOM 657 CA ARG A 42 27.198 25.188 22.113 1.00 0.00 C ATOM 658 C ARG A 42 27.356 26.436 21.250 1.00 0.00 C ATOM 659 O ARG A 42 28.014 27.394 21.661 1.00 0.00 O ATOM 660 CB ARG A 42 26.121 25.425 23.179 1.00 0.00 C ATOM 661 CG ARG A 42 26.064 24.225 24.157 1.00 0.00 C ATOM 662 CD ARG A 42 24.613 23.939 24.560 1.00 0.00 C ATOM 663 NE ARG A 42 24.041 25.087 25.260 1.00 0.00 N ATOM 664 CZ ARG A 42 22.832 25.025 25.813 1.00 0.00 C ATOM 665 NH1 ARG A 42 22.340 26.067 26.427 1.00 0.00 N ATOM 666 NH2 ARG A 42 22.138 23.922 25.745 1.00 0.00 N ATOM 0 H ARG A 42 28.913 25.702 23.200 1.00 0.00 H new ATOM 0 HA ARG A 42 26.890 24.341 21.499 1.00 0.00 H new ATOM 0 HB2 ARG A 42 26.338 26.341 23.728 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.150 25.561 22.702 1.00 0.00 H new ATOM 0 HG2 ARG A 42 26.499 23.343 23.687 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.660 24.441 25.044 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.021 23.714 23.673 1.00 0.00 H new ATOM 0 HD3 ARG A 42 24.574 23.058 25.201 1.00 0.00 H new ATOM 0 HE ARG A 42 24.578 25.952 25.326 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.882 26.929 26.483 1.00 0.00 H new ATOM 0 HH12 ARG A 42 21.413 26.019 26.851 1.00 0.00 H new ATOM 0 HH21 ARG A 42 22.522 23.106 25.268 1.00 0.00 H new ATOM 0 HH22 ARG A 42 21.212 23.875 26.169 1.00 0.00 H new ATOM 680 N LEU A 43 26.774 26.431 20.048 1.00 0.00 N ATOM 681 CA LEU A 43 26.886 27.579 19.142 1.00 0.00 C ATOM 682 C LEU A 43 25.566 28.341 19.079 1.00 0.00 C ATOM 683 O LEU A 43 24.536 27.783 18.692 1.00 0.00 O ATOM 684 CB LEU A 43 27.264 27.092 17.739 1.00 0.00 C ATOM 685 CG LEU A 43 28.433 26.101 17.823 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.782 25.607 16.416 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.658 26.791 18.436 1.00 0.00 C ATOM 0 H LEU A 43 26.225 25.653 19.681 1.00 0.00 H new ATOM 0 HA LEU A 43 27.660 28.248 19.519 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.405 26.614 17.268 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.540 27.940 17.113 1.00 0.00 H new ATOM 0 HG LEU A 43 28.144 25.257 18.449 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.612 24.903 16.473 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.915 25.111 15.979 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.067 26.455 15.793 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.484 26.082 18.493 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.948 27.638 17.814 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.413 27.144 19.438 1.00 0.00 H new ATOM 699 N ILE A 44 25.598 29.627 19.455 1.00 0.00 N ATOM 700 CA ILE A 44 24.394 30.466 19.442 1.00 0.00 C ATOM 701 C ILE A 44 24.516 31.603 18.426 1.00 0.00 C ATOM 702 O ILE A 44 25.529 32.313 18.369 1.00 0.00 O ATOM 703 CB ILE A 44 24.162 31.051 20.839 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.218 29.918 21.873 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.791 31.735 20.892 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.200 28.822 21.520 1.00 0.00 C ATOM 0 H ILE A 44 26.441 30.106 19.770 1.00 0.00 H new ATOM 0 HA ILE A 44 23.549 29.841 19.153 1.00 0.00 H new ATOM 0 HB ILE A 44 24.934 31.787 21.061 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.222 29.495 21.904 1.00 0.00 H new ATOM 0 HG13 ILE A 44 24.007 30.313 22.867 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.630 32.150 21.887 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.756 32.537 20.154 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.012 31.005 20.672 1.00 0.00 H new ATOM 0 HD11 ILE A 44 23.251 28.025 22.262 1.00 0.00 H new ATOM 0 HD12 ILE A 44 22.196 29.247 21.512 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.430 28.416 20.535 1.00 0.00 H new ATOM 718 N PHE A 45 23.454 31.776 17.633 1.00 0.00 N ATOM 719 CA PHE A 45 23.389 32.825 16.615 1.00 0.00 C ATOM 720 C PHE A 45 21.962 33.360 16.565 1.00 0.00 C ATOM 721 O PHE A 45 21.007 32.583 16.582 1.00 0.00 O ATOM 722 CB PHE A 45 23.763 32.254 15.244 1.00 0.00 C ATOM 723 CG PHE A 45 23.739 33.352 14.203 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.835 34.214 14.067 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.624 33.505 13.366 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.818 35.224 13.097 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.607 34.517 12.397 1.00 0.00 C ATOM 728 CZ PHE A 45 23.704 35.376 12.263 1.00 0.00 C ATOM 0 H PHE A 45 22.618 31.194 17.680 1.00 0.00 H new ATOM 0 HA PHE A 45 24.088 33.623 16.866 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.755 31.803 15.287 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.065 31.464 14.967 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.694 34.099 14.711 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.778 32.842 13.468 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.665 35.886 12.992 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.748 34.634 11.754 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.691 36.156 11.516 1.00 0.00 H new ATOM 738 N ALA A 46 21.802 34.678 16.518 1.00 0.00 N ATOM 739 CA ALA A 46 20.460 35.248 16.490 1.00 0.00 C ATOM 740 C ALA A 46 19.645 34.653 17.636 1.00 0.00 C ATOM 741 O ALA A 46 18.447 34.395 17.508 1.00 0.00 O ATOM 742 CB ALA A 46 19.783 34.953 15.151 1.00 0.00 C ATOM 0 H ALA A 46 22.563 35.357 16.499 1.00 0.00 H new ATOM 0 HA ALA A 46 20.522 36.330 16.608 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.782 35.385 15.146 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.370 35.389 14.343 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.713 33.875 15.008 1.00 0.00 H new ATOM 748 N GLY A 47 20.325 34.463 18.765 1.00 0.00 N ATOM 749 CA GLY A 47 19.708 33.926 19.974 1.00 0.00 C ATOM 750 C GLY A 47 19.203 32.489 19.813 1.00 0.00 C ATOM 751 O GLY A 47 18.498 31.991 20.690 1.00 0.00 O ATOM 0 H GLY A 47 21.317 34.677 18.866 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.432 33.960 20.788 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.874 34.566 20.262 1.00 0.00 H new ATOM 755 N LYS A 48 19.555 31.817 18.710 1.00 0.00 N ATOM 756 CA LYS A 48 19.104 30.427 18.490 1.00 0.00 C ATOM 757 C LYS A 48 20.279 29.457 18.412 1.00 0.00 C ATOM 758 O LYS A 48 21.316 29.756 17.818 1.00 0.00 O ATOM 759 CB LYS A 48 18.304 30.319 17.192 1.00 0.00 C ATOM 760 CG LYS A 48 16.960 31.029 17.342 1.00 0.00 C ATOM 761 CD LYS A 48 16.244 31.011 15.991 1.00 0.00 C ATOM 762 CE LYS A 48 14.937 31.799 16.085 1.00 0.00 C ATOM 763 NZ LYS A 48 15.243 33.242 16.298 1.00 0.00 N ATOM 0 H LYS A 48 20.139 32.199 17.966 1.00 0.00 H new ATOM 0 HA LYS A 48 18.478 30.162 19.342 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.868 30.761 16.371 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.144 29.271 16.941 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.352 30.532 18.099 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.110 32.055 17.677 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.886 31.444 15.224 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.039 29.983 15.692 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.355 31.670 15.172 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.329 31.420 16.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.418 33.815 16.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.466 33.405 17.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.059 33.514 15.713 1.00 0.00 H new ATOM 777 N GLN A 49 20.089 28.279 19.004 1.00 0.00 N ATOM 778 CA GLN A 49 21.106 27.241 18.997 1.00 0.00 C ATOM 779 C GLN A 49 21.035 26.451 17.692 1.00 0.00 C ATOM 780 O GLN A 49 19.955 26.055 17.257 1.00 0.00 O ATOM 781 CB GLN A 49 20.883 26.297 20.182 1.00 0.00 C ATOM 782 CG GLN A 49 22.080 25.356 20.330 1.00 0.00 C ATOM 783 CD GLN A 49 21.732 24.213 21.280 1.00 0.00 C ATOM 784 OE1 GLN A 49 20.644 24.191 21.855 1.00 0.00 O ATOM 785 NE2 GLN A 49 22.598 23.256 21.478 1.00 0.00 N ATOM 0 H GLN A 49 19.233 28.023 19.496 1.00 0.00 H new ATOM 0 HA GLN A 49 22.089 27.703 19.081 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.747 26.874 21.097 1.00 0.00 H new ATOM 0 HB3 GLN A 49 19.971 25.719 20.031 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.362 24.957 19.356 1.00 0.00 H new ATOM 0 HG3 GLN A 49 22.941 25.906 20.710 1.00 0.00 H new ATOM 0 HE21 GLN A 49 23.499 23.277 21.000 1.00 0.00 H new ATOM 0 HE22 GLN A 49 22.373 22.488 22.110 1.00 0.00 H new ATOM 794 N LEU A 50 22.186 26.232 17.068 1.00 0.00 N ATOM 795 CA LEU A 50 22.225 25.493 15.807 1.00 0.00 C ATOM 796 C LEU A 50 22.003 23.998 16.037 1.00 0.00 C ATOM 797 O LEU A 50 22.686 23.374 16.850 1.00 0.00 O ATOM 798 CB LEU A 50 23.568 25.722 15.109 1.00 0.00 C ATOM 799 CG LEU A 50 23.891 27.220 15.103 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.210 27.458 14.364 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.765 27.991 14.400 1.00 0.00 C ATOM 0 H LEU A 50 23.094 26.549 17.406 1.00 0.00 H new ATOM 0 HA LEU A 50 21.420 25.861 15.171 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.356 25.171 15.623 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.529 25.343 14.088 1.00 0.00 H new ATOM 0 HG LEU A 50 23.982 27.571 16.131 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.438 28.524 14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.012 26.917 14.867 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.121 27.103 13.337 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.999 29.056 14.398 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.669 27.639 13.373 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.826 27.827 14.929 1.00 0.00 H new ATOM 813 N GLU A 51 21.026 23.439 15.321 1.00 0.00 N ATOM 814 CA GLU A 51 20.691 22.019 15.449 1.00 0.00 C ATOM 815 C GLU A 51 21.560 21.153 14.541 1.00 0.00 C ATOM 816 O GLU A 51 21.814 21.487 13.381 1.00 0.00 O ATOM 817 CB GLU A 51 19.212 21.798 15.095 1.00 0.00 C ATOM 818 CG GLU A 51 18.339 22.112 16.310 1.00 0.00 C ATOM 819 CD GLU A 51 16.867 21.911 15.963 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.551 20.892 15.371 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.077 22.781 16.293 1.00 0.00 O ATOM 0 H GLU A 51 20.453 23.947 14.647 1.00 0.00 H new ATOM 0 HA GLU A 51 20.877 21.726 16.482 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.929 22.436 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.054 20.767 14.778 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.616 21.466 17.143 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.508 23.139 16.633 1.00 0.00 H new ATOM 828 N ASP A 52 21.992 20.026 15.085 1.00 0.00 N ATOM 829 CA ASP A 52 22.816 19.095 14.341 1.00 0.00 C ATOM 830 C ASP A 52 22.062 18.550 13.133 1.00 0.00 C ATOM 831 O ASP A 52 20.904 18.148 13.244 1.00 0.00 O ATOM 832 CB ASP A 52 23.238 17.938 15.248 1.00 0.00 C ATOM 833 CG ASP A 52 24.240 18.428 16.288 1.00 0.00 C ATOM 834 OD1 ASP A 52 24.754 19.521 16.118 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.478 17.703 17.240 1.00 0.00 O ATOM 0 H ASP A 52 21.784 19.736 16.041 1.00 0.00 H new ATOM 0 HA ASP A 52 23.701 19.625 13.988 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.364 17.517 15.744 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.681 17.141 14.651 1.00 0.00 H new ATOM 840 N GLY A 53 22.728 18.527 11.979 1.00 0.00 N ATOM 841 CA GLY A 53 22.116 18.014 10.752 1.00 0.00 C ATOM 842 C GLY A 53 21.636 19.142 9.840 1.00 0.00 C ATOM 843 O GLY A 53 21.304 18.902 8.679 1.00 0.00 O ATOM 0 H GLY A 53 23.687 18.856 11.867 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.838 17.397 10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.274 17.371 11.008 1.00 0.00 H new ATOM 847 N ARG A 54 21.610 20.377 10.352 1.00 0.00 N ATOM 848 CA ARG A 54 21.176 21.518 9.536 1.00 0.00 C ATOM 849 C ARG A 54 22.373 22.215 8.896 1.00 0.00 C ATOM 850 O ARG A 54 23.495 22.122 9.388 1.00 0.00 O ATOM 851 CB ARG A 54 20.410 22.522 10.404 1.00 0.00 C ATOM 852 CG ARG A 54 19.182 21.837 11.028 1.00 0.00 C ATOM 853 CD ARG A 54 17.993 21.936 10.070 1.00 0.00 C ATOM 854 NE ARG A 54 17.470 23.297 10.056 1.00 0.00 N ATOM 855 CZ ARG A 54 16.498 23.647 9.221 1.00 0.00 C ATOM 856 NH1 ARG A 54 16.067 24.879 9.198 1.00 0.00 N ATOM 857 NH2 ARG A 54 15.969 22.755 8.429 1.00 0.00 N ATOM 0 H ARG A 54 21.878 20.611 11.308 1.00 0.00 H new ATOM 0 HA ARG A 54 20.525 21.142 8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.060 22.909 11.188 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.096 23.374 9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.405 20.791 11.239 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.935 22.308 11.979 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.301 21.647 9.065 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.211 21.241 10.376 1.00 0.00 H new ATOM 0 HE ARG A 54 17.856 23.990 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.477 25.574 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.321 25.146 8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.302 21.791 8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.223 23.022 7.787 1.00 0.00 H new ATOM 871 N THR A 55 22.121 22.923 7.794 1.00 0.00 N ATOM 872 CA THR A 55 23.178 23.651 7.085 1.00 0.00 C ATOM 873 C THR A 55 23.112 25.130 7.448 1.00 0.00 C ATOM 874 O THR A 55 22.083 25.608 7.921 1.00 0.00 O ATOM 875 CB THR A 55 22.997 23.491 5.573 1.00 0.00 C ATOM 876 OG1 THR A 55 21.638 23.737 5.235 1.00 0.00 O ATOM 877 CG2 THR A 55 23.380 22.070 5.154 1.00 0.00 C ATOM 0 H THR A 55 21.196 23.009 7.372 1.00 0.00 H new ATOM 0 HA THR A 55 24.147 23.246 7.377 1.00 0.00 H new ATOM 0 HB THR A 55 23.639 24.202 5.053 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.241 24.341 5.897 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.250 21.961 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.422 21.882 5.414 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.742 21.354 5.671 1.00 0.00 H new ATOM 885 N LEU A 56 24.201 25.863 7.224 1.00 0.00 N ATOM 886 CA LEU A 56 24.204 27.287 7.546 1.00 0.00 C ATOM 887 C LEU A 56 23.080 27.994 6.782 1.00 0.00 C ATOM 888 O LEU A 56 22.424 28.877 7.330 1.00 0.00 O ATOM 889 CB LEU A 56 25.577 27.928 7.222 1.00 0.00 C ATOM 890 CG LEU A 56 26.491 27.922 8.464 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.886 26.484 8.813 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.752 28.750 8.174 1.00 0.00 C ATOM 0 H LEU A 56 25.072 25.506 6.831 1.00 0.00 H new ATOM 0 HA LEU A 56 24.031 27.402 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 56 26.056 27.381 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.433 28.951 6.876 1.00 0.00 H new ATOM 0 HG LEU A 56 25.956 28.358 9.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.532 26.487 9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.989 25.901 9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.419 26.039 7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.399 28.747 9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.285 28.317 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.468 29.775 7.937 1.00 0.00 H new ATOM 904 N SER A 57 22.867 27.616 5.518 1.00 0.00 N ATOM 905 CA SER A 57 21.819 28.246 4.715 1.00 0.00 C ATOM 906 C SER A 57 20.533 28.360 5.520 1.00 0.00 C ATOM 907 O SER A 57 19.820 29.360 5.430 1.00 0.00 O ATOM 908 CB SER A 57 21.547 27.432 3.449 1.00 0.00 C ATOM 909 OG SER A 57 20.538 28.080 2.683 1.00 0.00 O ATOM 0 H SER A 57 23.397 26.889 5.037 1.00 0.00 H new ATOM 0 HA SER A 57 22.163 29.242 4.434 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.460 27.335 2.862 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.229 26.423 3.712 1.00 0.00 H new ATOM 0 HG SER A 57 20.362 27.562 1.870 1.00 0.00 H new ATOM 915 N ASP A 58 20.247 27.336 6.320 1.00 0.00 N ATOM 916 CA ASP A 58 19.050 27.348 7.146 1.00 0.00 C ATOM 917 C ASP A 58 19.054 28.604 8.004 1.00 0.00 C ATOM 918 O ASP A 58 18.043 29.295 8.131 1.00 0.00 O ATOM 919 CB ASP A 58 19.017 26.104 8.040 1.00 0.00 C ATOM 920 CG ASP A 58 19.014 24.840 7.184 1.00 0.00 C ATOM 921 OD1 ASP A 58 19.378 24.931 6.022 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.649 23.798 7.703 1.00 0.00 O ATOM 0 H ASP A 58 20.822 26.498 6.411 1.00 0.00 H new ATOM 0 HA ASP A 58 18.166 27.342 6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.882 26.101 8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.130 26.125 8.673 1.00 0.00 H new ATOM 927 N TYR A 59 20.219 28.894 8.578 1.00 0.00 N ATOM 928 CA TYR A 59 20.411 30.071 9.421 1.00 0.00 C ATOM 929 C TYR A 59 21.122 31.167 8.626 1.00 0.00 C ATOM 930 O TYR A 59 22.322 31.070 8.420 1.00 0.00 O ATOM 931 CB TYR A 59 21.287 29.692 10.617 1.00 0.00 C ATOM 932 CG TYR A 59 20.653 28.554 11.381 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.121 27.243 11.214 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.598 28.812 12.261 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.532 26.193 11.929 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.008 27.762 12.975 1.00 0.00 C ATOM 937 CZ TYR A 59 19.475 26.453 12.809 1.00 0.00 C ATOM 938 OH TYR A 59 18.893 25.419 13.514 1.00 0.00 O ATOM 0 H TYR A 59 21.056 28.320 8.472 1.00 0.00 H new ATOM 0 HA TYR A 59 19.440 30.432 9.759 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.280 29.402 10.274 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.415 30.554 11.272 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.936 27.043 10.534 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.238 29.822 12.390 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.893 25.183 11.802 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.192 27.962 13.654 1.00 0.00 H new ATOM 0 HH TYR A 59 18.175 25.772 14.080 1.00 0.00 H new ATOM 948 N ASN A 60 20.362 32.152 8.127 1.00 0.00 N ATOM 949 CA ASN A 60 20.921 33.237 7.291 1.00 0.00 C ATOM 950 C ASN A 60 22.200 33.870 7.874 1.00 0.00 C ATOM 951 O ASN A 60 22.220 35.051 8.221 1.00 0.00 O ATOM 952 CB ASN A 60 19.868 34.332 7.079 1.00 0.00 C ATOM 953 CG ASN A 60 19.515 34.991 8.410 1.00 0.00 C ATOM 954 OD1 ASN A 60 19.397 34.311 9.428 1.00 0.00 O ATOM 955 ND2 ASN A 60 19.336 36.285 8.463 1.00 0.00 N ATOM 0 H ASN A 60 19.357 32.224 8.285 1.00 0.00 H new ATOM 0 HA ASN A 60 21.197 32.776 6.343 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.247 35.081 6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.973 33.903 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 60 19.098 36.731 9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 60 19.434 36.848 7.618 1.00 0.00 H new ATOM 962 N ILE A 61 23.262 33.070 7.949 1.00 0.00 N ATOM 963 CA ILE A 61 24.561 33.516 8.452 1.00 0.00 C ATOM 964 C ILE A 61 25.467 33.842 7.264 1.00 0.00 C ATOM 965 O ILE A 61 26.026 32.939 6.650 1.00 0.00 O ATOM 966 CB ILE A 61 25.207 32.390 9.271 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.385 32.115 10.534 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.633 32.787 9.670 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.898 30.832 11.195 1.00 0.00 C ATOM 0 H ILE A 61 23.246 32.091 7.662 1.00 0.00 H new ATOM 0 HA ILE A 61 24.427 34.397 9.079 1.00 0.00 H new ATOM 0 HB ILE A 61 25.237 31.488 8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.467 32.953 11.226 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.330 32.012 10.281 1.00 0.00 H new ATOM 0 HG21 ILE A 61 27.085 31.983 10.251 1.00 0.00 H new ATOM 0 HG22 ILE A 61 27.226 32.964 8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.603 33.696 10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.318 30.629 12.095 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.794 29.998 10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.948 30.954 11.460 1.00 0.00 H new ATOM 981 N GLN A 62 25.595 35.122 6.923 1.00 0.00 N ATOM 982 CA GLN A 62 26.425 35.509 5.776 1.00 0.00 C ATOM 983 C GLN A 62 27.889 35.686 6.155 1.00 0.00 C ATOM 984 O GLN A 62 28.274 35.537 7.315 1.00 0.00 O ATOM 985 CB GLN A 62 25.909 36.803 5.152 1.00 0.00 C ATOM 986 CG GLN A 62 24.411 36.675 4.879 1.00 0.00 C ATOM 987 CD GLN A 62 23.897 37.942 4.207 1.00 0.00 C ATOM 988 OE1 GLN A 62 24.685 38.807 3.824 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.613 38.103 4.038 1.00 0.00 N ATOM 0 H GLN A 62 25.146 35.898 7.410 1.00 0.00 H new ATOM 0 HA GLN A 62 26.358 34.695 5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 62 26.097 37.642 5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 62 26.442 37.010 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.221 35.812 4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.875 36.505 5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.963 37.385 4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 62 22.260 38.947 3.588 1.00 0.00 H new ATOM 998 N LYS A 63 28.701 35.982 5.143 1.00 0.00 N ATOM 999 CA LYS A 63 30.135 36.156 5.342 1.00 0.00 C ATOM 1000 C LYS A 63 30.442 37.314 6.285 1.00 0.00 C ATOM 1001 O LYS A 63 29.731 38.319 6.323 1.00 0.00 O ATOM 1002 CB LYS A 63 30.847 36.359 3.996 1.00 0.00 C ATOM 1003 CG LYS A 63 30.580 37.759 3.428 1.00 0.00 C ATOM 1004 CD LYS A 63 31.038 37.793 1.963 1.00 0.00 C ATOM 1005 CE LYS A 63 32.544 37.520 1.878 1.00 0.00 C ATOM 1006 NZ LYS A 63 33.061 37.988 0.561 1.00 0.00 N ATOM 0 H LYS A 63 28.390 36.106 4.179 1.00 0.00 H new ATOM 0 HA LYS A 63 30.511 35.245 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.920 36.215 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.507 35.605 3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.519 37.999 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.115 38.510 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.492 37.047 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.811 38.765 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 63 33.063 38.033 2.687 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.739 36.454 1.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 34.083 37.803 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 32.573 37.480 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.888 39.009 0.463 1.00 0.00 H new ATOM 1020 N GLU A 64 31.525 37.144 7.036 1.00 0.00 N ATOM 1021 CA GLU A 64 31.984 38.149 7.988 1.00 0.00 C ATOM 1022 C GLU A 64 30.910 38.503 9.016 1.00 0.00 C ATOM 1023 O GLU A 64 30.415 39.629 9.052 1.00 0.00 O ATOM 1024 CB GLU A 64 32.437 39.403 7.240 1.00 0.00 C ATOM 1025 CG GLU A 64 33.533 39.013 6.244 1.00 0.00 C ATOM 1026 CD GLU A 64 33.975 40.228 5.437 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.326 41.254 5.543 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.959 40.112 4.724 1.00 0.00 O ATOM 0 H GLU A 64 32.108 36.308 7.002 1.00 0.00 H new ATOM 0 HA GLU A 64 32.826 37.726 8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.595 39.855 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.813 40.147 7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.386 38.593 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.164 38.237 5.573 1.00 0.00 H new HETATM 1035 N SEP A 65 30.585 37.536 9.879 1.00 0.00 N HETATM 1036 CA SEP A 65 29.600 37.733 10.944 1.00 0.00 C HETATM 1037 CB SEP A 65 28.323 36.941 10.642 1.00 0.00 C HETATM 1038 OG SEP A 65 27.779 37.371 9.398 1.00 0.00 O HETATM 1039 C SEP A 65 30.209 37.241 12.254 1.00 0.00 C HETATM 1040 O SEP A 65 31.174 36.473 12.234 1.00 0.00 O HETATM 1041 P SEP A 65 26.842 38.590 9.341 1.00 0.00 P HETATM 1042 O1P SEP A 65 25.405 38.000 9.139 1.00 0.00 O HETATM 1043 O2P SEP A 65 27.341 39.437 8.120 1.00 0.00 O HETATM 1044 O3P SEP A 65 27.026 39.318 10.716 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.544 35.874 10.605 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.595 37.088 11.439 1.00 0.00 H new HETATM 0 HA SEP A 65 29.341 38.789 11.016 1.00 0.00 H new ATOM 1049 N THR A 66 29.669 37.672 13.394 1.00 0.00 N ATOM 1050 CA THR A 66 30.205 37.236 14.689 1.00 0.00 C ATOM 1051 C THR A 66 29.332 36.140 15.293 1.00 0.00 C ATOM 1052 O THR A 66 28.141 36.342 15.537 1.00 0.00 O ATOM 1053 CB THR A 66 30.279 38.419 15.656 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.117 39.425 15.105 1.00 0.00 O ATOM 1055 CG2 THR A 66 30.860 37.946 16.993 1.00 0.00 C ATOM 0 H THR A 66 28.876 38.311 13.451 1.00 0.00 H new ATOM 0 HA THR A 66 31.207 36.839 14.525 1.00 0.00 H new ATOM 0 HB THR A 66 29.280 38.825 15.816 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.165 40.185 15.722 1.00 0.00 H new ATOM 0 HG21 THR A 66 30.914 38.787 17.684 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.220 37.171 17.414 1.00 0.00 H new ATOM 0 HG23 THR A 66 31.860 37.543 16.833 1.00 0.00 H new ATOM 1063 N LEU A 67 29.942 34.979 15.539 1.00 0.00 N ATOM 1064 CA LEU A 67 29.231 33.838 16.126 1.00 0.00 C ATOM 1065 C LEU A 67 29.540 33.762 17.620 1.00 0.00 C ATOM 1066 O LEU A 67 30.651 34.091 18.040 1.00 0.00 O ATOM 1067 CB LEU A 67 29.676 32.539 15.440 1.00 0.00 C ATOM 1068 CG LEU A 67 28.840 31.353 15.947 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.364 31.529 15.532 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.401 30.051 15.354 1.00 0.00 C ATOM 0 H LEU A 67 30.927 34.803 15.341 1.00 0.00 H new ATOM 0 HA LEU A 67 28.158 33.968 15.982 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.566 32.634 14.360 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.733 32.359 15.638 1.00 0.00 H new ATOM 0 HG LEU A 67 28.892 31.311 17.035 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.780 30.683 15.896 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.973 32.451 15.961 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.295 31.577 14.445 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.812 29.206 15.710 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.351 30.096 14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.438 29.927 15.665 1.00 0.00 H new ATOM 1082 N HIS A 68 28.563 33.339 18.432 1.00 0.00 N ATOM 1083 CA HIS A 68 28.777 33.243 19.875 1.00 0.00 C ATOM 1084 C HIS A 68 29.049 31.791 20.275 1.00 0.00 C ATOM 1085 O HIS A 68 28.234 30.907 20.008 1.00 0.00 O ATOM 1086 CB HIS A 68 27.541 33.755 20.617 1.00 0.00 C ATOM 1087 CG HIS A 68 27.264 35.179 20.214 1.00 0.00 C ATOM 1088 ND1 HIS A 68 28.149 36.212 20.486 1.00 0.00 N ATOM 1089 CD2 HIS A 68 26.204 35.758 19.559 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.611 37.346 20.000 1.00 0.00 C ATOM 1091 NE2 HIS A 68 26.426 37.126 19.425 1.00 0.00 N ATOM 0 H HIS A 68 27.633 33.063 18.118 1.00 0.00 H new ATOM 0 HA HIS A 68 29.640 33.853 20.142 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.680 33.127 20.387 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.700 33.695 21.694 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.331 35.232 19.202 1.00 0.00 H new ATOM 0 HE1 HIS A 68 28.081 38.316 20.067 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.815 37.813 18.983 1.00 0.00 H new ATOM 1100 N LEU A 69 30.193 31.543 20.924 1.00 0.00 N ATOM 1101 CA LEU A 69 30.554 30.212 21.361 1.00 0.00 C ATOM 1102 C LEU A 69 30.456 30.151 22.871 1.00 0.00 C ATOM 1103 O LEU A 69 31.235 30.775 23.591 1.00 0.00 O ATOM 1104 CB LEU A 69 31.979 29.886 20.909 1.00 0.00 C ATOM 1105 CG LEU A 69 32.384 28.463 21.380 1.00 0.00 C ATOM 1106 CD1 LEU A 69 33.139 27.745 20.257 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.285 28.555 22.622 1.00 0.00 C ATOM 0 H LEU A 69 30.881 32.260 21.154 1.00 0.00 H new ATOM 0 HA LEU A 69 29.876 29.480 20.922 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.046 29.949 19.823 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.673 30.622 21.315 1.00 0.00 H new ATOM 0 HG LEU A 69 31.483 27.904 21.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.422 26.746 20.590 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.497 27.667 19.379 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.035 28.310 20.002 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.564 27.552 22.945 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.184 29.121 22.378 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.747 29.058 23.425 1.00 0.00 H new ATOM 1119 N VAL A 70 29.478 29.399 23.332 1.00 0.00 N ATOM 1120 CA VAL A 70 29.231 29.231 24.762 1.00 0.00 C ATOM 1121 C VAL A 70 29.655 27.838 25.196 1.00 0.00 C ATOM 1122 O VAL A 70 29.490 26.871 24.453 1.00 0.00 O ATOM 1123 CB VAL A 70 27.746 29.441 25.053 1.00 0.00 C ATOM 1124 CG1 VAL A 70 27.500 29.359 26.560 1.00 0.00 C ATOM 1125 CG2 VAL A 70 27.322 30.820 24.542 1.00 0.00 C ATOM 0 H VAL A 70 28.830 28.886 22.734 1.00 0.00 H new ATOM 0 HA VAL A 70 29.811 29.967 25.319 1.00 0.00 H new ATOM 0 HB VAL A 70 27.164 28.668 24.551 1.00 0.00 H new ATOM 0 HG11 VAL A 70 26.440 29.509 26.764 1.00 0.00 H new ATOM 0 HG12 VAL A 70 27.805 28.378 26.926 1.00 0.00 H new ATOM 0 HG13 VAL A 70 28.080 30.131 27.066 1.00 0.00 H new ATOM 0 HG21 VAL A 70 26.263 30.974 24.748 1.00 0.00 H new ATOM 0 HG22 VAL A 70 27.905 31.590 25.046 1.00 0.00 H new ATOM 0 HG23 VAL A 70 27.495 30.879 23.468 1.00 0.00 H new ATOM 1135 N LEU A 71 30.218 27.740 26.396 1.00 0.00 N ATOM 1136 CA LEU A 71 30.681 26.456 26.920 1.00 0.00 C ATOM 1137 C LEU A 71 29.947 26.109 28.205 1.00 0.00 C ATOM 1138 O LEU A 71 29.286 26.955 28.808 1.00 0.00 O ATOM 1139 CB LEU A 71 32.191 26.506 27.189 1.00 0.00 C ATOM 1140 CG LEU A 71 32.567 27.856 27.839 1.00 0.00 C ATOM 1141 CD1 LEU A 71 33.776 27.664 28.760 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.911 28.888 26.748 1.00 0.00 C ATOM 0 H LEU A 71 30.365 28.530 27.024 1.00 0.00 H new ATOM 0 HA LEU A 71 30.474 25.688 26.175 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.479 25.684 27.845 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.740 26.377 26.256 1.00 0.00 H new ATOM 0 HG LEU A 71 31.720 28.219 28.420 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.040 28.617 29.218 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.529 26.943 29.540 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.621 27.294 28.179 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.175 29.837 27.215 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.754 28.527 26.158 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.048 29.031 26.098 1.00 0.00 H new ATOM 1154 N ARG A 72 30.071 24.856 28.618 1.00 0.00 N ATOM 1155 CA ARG A 72 29.421 24.394 29.837 1.00 0.00 C ATOM 1156 C ARG A 72 30.296 24.682 31.047 1.00 0.00 C ATOM 1157 O ARG A 72 29.868 25.345 31.990 1.00 0.00 O ATOM 1158 CB ARG A 72 29.152 22.890 29.743 1.00 0.00 C ATOM 1159 CG ARG A 72 28.228 22.603 28.546 1.00 0.00 C ATOM 1160 CD ARG A 72 26.766 22.703 28.991 1.00 0.00 C ATOM 1161 NE ARG A 72 26.432 21.587 29.867 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.221 21.474 30.401 1.00 0.00 C ATOM 1163 NH1 ARG A 72 24.943 20.464 31.180 1.00 0.00 N ATOM 1164 NH2 ARG A 72 24.311 22.373 30.149 1.00 0.00 N ATOM 0 H ARG A 72 30.613 24.143 28.130 1.00 0.00 H new ATOM 0 HA ARG A 72 28.476 24.926 29.952 1.00 0.00 H new ATOM 0 HB2 ARG A 72 30.091 22.349 29.628 1.00 0.00 H new ATOM 0 HB3 ARG A 72 28.691 22.535 30.664 1.00 0.00 H new ATOM 0 HG2 ARG A 72 28.424 23.314 27.744 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.430 21.609 28.147 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.600 23.646 29.511 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.111 22.700 28.119 1.00 0.00 H new ATOM 0 HE ARG A 72 27.139 20.882 30.073 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.656 19.762 31.379 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.013 20.377 31.590 1.00 0.00 H new ATOM 0 HH21 ARG A 72 24.529 23.163 29.542 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.381 22.286 30.559 1.00 0.00 H new ATOM 1178 N LEU A 73 31.524 24.177 31.011 1.00 0.00 N ATOM 1179 CA LEU A 73 32.454 24.384 32.111 1.00 0.00 C ATOM 1180 C LEU A 73 33.858 23.940 31.709 1.00 0.00 C ATOM 1181 O LEU A 73 34.141 22.745 31.625 1.00 0.00 O ATOM 1182 CB LEU A 73 31.989 23.595 33.343 1.00 0.00 C ATOM 1183 CG LEU A 73 32.883 23.926 34.553 1.00 0.00 C ATOM 1184 CD1 LEU A 73 32.593 25.352 35.053 1.00 0.00 C ATOM 1185 CD2 LEU A 73 32.611 22.925 35.680 1.00 0.00 C ATOM 0 H LEU A 73 31.895 23.626 30.237 1.00 0.00 H new ATOM 0 HA LEU A 73 32.479 25.446 32.354 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.951 23.839 33.570 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.027 22.526 33.135 1.00 0.00 H new ATOM 0 HG LEU A 73 33.928 23.862 34.249 1.00 0.00 H new ATOM 0 HD11 LEU A 73 33.231 25.574 35.908 1.00 0.00 H new ATOM 0 HD12 LEU A 73 32.795 26.066 34.254 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.547 25.427 35.351 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.244 23.160 36.536 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.564 22.986 35.976 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.832 21.916 35.332 1.00 0.00 H new ATOM 1197 N ARG A 74 34.731 24.912 31.472 1.00 0.00 N ATOM 1198 CA ARG A 74 36.106 24.619 31.086 1.00 0.00 C ATOM 1199 C ARG A 74 36.821 23.834 32.183 1.00 0.00 C ATOM 1200 O ARG A 74 37.454 22.812 31.916 1.00 0.00 O ATOM 1201 CB ARG A 74 36.857 25.926 30.823 1.00 0.00 C ATOM 1202 CG ARG A 74 38.292 25.615 30.394 1.00 0.00 C ATOM 1203 CD ARG A 74 38.960 26.893 29.884 1.00 0.00 C ATOM 1204 NE ARG A 74 38.269 27.385 28.697 1.00 0.00 N ATOM 1205 CZ ARG A 74 38.760 28.395 27.986 1.00 0.00 C ATOM 1206 NH1 ARG A 74 38.122 28.820 26.930 1.00 0.00 N ATOM 1207 NH2 ARG A 74 39.882 28.960 28.342 1.00 0.00 N ATOM 0 H ARG A 74 34.513 25.906 31.540 1.00 0.00 H new ATOM 0 HA ARG A 74 36.088 24.014 30.179 1.00 0.00 H new ATOM 0 HB2 ARG A 74 36.350 26.498 30.046 1.00 0.00 H new ATOM 0 HB3 ARG A 74 36.861 26.542 31.722 1.00 0.00 H new ATOM 0 HG2 ARG A 74 38.854 25.209 31.235 1.00 0.00 H new ATOM 0 HG3 ARG A 74 38.293 24.855 29.613 1.00 0.00 H new ATOM 0 HD2 ARG A 74 38.946 27.655 30.663 1.00 0.00 H new ATOM 0 HD3 ARG A 74 40.006 26.696 29.649 1.00 0.00 H new ATOM 0 HE ARG A 74 37.395 26.947 28.408 1.00 0.00 H new ATOM 0 HH11 ARG A 74 37.247 28.377 26.650 1.00 0.00 H new ATOM 0 HH12 ARG A 74 38.499 29.595 26.384 1.00 0.00 H new ATOM 0 HH21 ARG A 74 40.382 28.626 29.166 1.00 0.00 H new ATOM 0 HH22 ARG A 74 40.258 29.735 27.796 1.00 0.00 H new ATOM 1221 N GLY A 75 36.720 24.321 33.416 1.00 0.00 N ATOM 1222 CA GLY A 75 37.367 23.658 34.544 1.00 0.00 C ATOM 1223 C GLY A 75 36.860 24.217 35.869 1.00 0.00 C ATOM 1224 O GLY A 75 35.782 23.850 36.337 1.00 0.00 O ATOM 0 H GLY A 75 36.201 25.165 33.659 1.00 0.00 H new ATOM 0 HA2 GLY A 75 37.175 22.586 34.500 1.00 0.00 H new ATOM 0 HA3 GLY A 75 38.447 23.791 34.478 1.00 0.00 H new ATOM 1228 N GLY A 76 37.644 25.108 36.469 1.00 0.00 N ATOM 1229 CA GLY A 76 37.262 25.715 37.739 1.00 0.00 C ATOM 1230 C GLY A 76 38.446 26.434 38.376 1.00 0.00 C ATOM 1231 O GLY A 76 39.042 27.261 37.705 1.00 0.00 O ATOM 1232 OXT GLY A 76 38.740 26.149 39.525 1.00 0.00 O ATOM 0 H GLY A 76 38.541 25.424 36.099 1.00 0.00 H new ATOM 0 HA2 GLY A 76 36.446 26.420 37.579 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.890 24.947 38.417 1.00 0.00 H new TER 1236 GLY A 76