USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 450 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 67 GLN : amide:sc= 1.86 K(o=2.5,f=-5.9!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 164:sc= 0.635 (180deg=-0.433) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00917) USER MOD Single : A 8 SER OG : rot 74:sc= 1.12 USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= -0.0059 (180deg=-0.0763) USER MOD Single : A 13 TYR OH : rot 2:sc= 1.18 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0827) USER MOD Single : A 21 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.19) USER MOD Single : A 22 GLN : amide:sc= 2.22 K(o=2.2,f=-2.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.293 USER MOD Single : A 25 LYS NZ :NH3+ 128:sc= 0.0342 (180deg=-0.106) USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.172) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 33 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.91) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot -90:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 3 6.842 14.002 -3.193 1.00 0.00 N ATOM 75 CA PRO A 3 8.261 14.148 -3.496 1.00 0.00 C ATOM 76 C PRO A 3 8.767 15.592 -3.599 1.00 0.00 C ATOM 77 O PRO A 3 9.623 15.993 -2.814 1.00 0.00 O ATOM 78 CB PRO A 3 8.488 13.334 -4.772 1.00 0.00 C ATOM 79 CG PRO A 3 7.492 12.188 -4.594 1.00 0.00 C ATOM 80 CD PRO A 3 6.295 12.865 -3.920 1.00 0.00 C ATOM 0 HA PRO A 3 8.856 13.776 -2.662 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.284 13.917 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.514 12.975 -4.851 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.217 11.742 -5.550 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.903 11.390 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.562 13.189 -4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.785 12.177 -3.245 1.00 0.00 H new ATOM 88 N ALA A 4 8.251 16.375 -4.552 1.00 0.00 N ATOM 89 CA ALA A 4 8.681 17.755 -4.763 1.00 0.00 C ATOM 90 C ALA A 4 8.599 18.614 -3.506 1.00 0.00 C ATOM 91 O ALA A 4 9.530 19.331 -3.138 1.00 0.00 O ATOM 92 CB ALA A 4 7.892 18.377 -5.918 1.00 0.00 C ATOM 0 H ALA A 4 7.524 16.067 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 4 9.738 17.724 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.218 19.406 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.067 17.804 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.828 18.365 -5.680 1.00 0.00 H new ATOM 98 N GLU A 5 7.453 18.520 -2.855 1.00 0.00 N ATOM 99 CA GLU A 5 7.144 19.255 -1.637 1.00 0.00 C ATOM 100 C GLU A 5 8.134 18.842 -0.544 1.00 0.00 C ATOM 101 O GLU A 5 8.749 19.684 0.105 1.00 0.00 O ATOM 102 CB GLU A 5 5.680 19.008 -1.240 1.00 0.00 C ATOM 103 CG GLU A 5 5.249 19.905 -0.072 1.00 0.00 C ATOM 104 CD GLU A 5 3.790 19.670 0.310 1.00 0.00 C ATOM 105 OE1 GLU A 5 2.918 20.111 -0.471 1.00 0.00 O ATOM 106 OE2 GLU A 5 3.573 19.056 1.376 1.00 0.00 O ATOM 0 H GLU A 5 6.692 17.916 -3.165 1.00 0.00 H new ATOM 0 HA GLU A 5 7.252 20.328 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.034 19.193 -2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.550 17.962 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.887 19.712 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.390 20.951 -0.345 1.00 0.00 H new ATOM 113 N LEU A 6 8.295 17.532 -0.356 1.00 0.00 N ATOM 114 CA LEU A 6 9.197 16.968 0.630 1.00 0.00 C ATOM 115 C LEU A 6 10.619 17.430 0.391 1.00 0.00 C ATOM 116 O LEU A 6 11.325 17.780 1.329 1.00 0.00 O ATOM 117 CB LEU A 6 9.079 15.441 0.669 1.00 0.00 C ATOM 118 CG LEU A 6 7.804 14.991 1.400 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.522 13.533 1.039 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.974 15.108 2.922 1.00 0.00 C ATOM 0 H LEU A 6 7.792 16.828 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 6 8.906 17.335 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.073 15.050 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.953 15.021 1.167 1.00 0.00 H new ATOM 0 HG LEU A 6 6.977 15.632 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.619 13.199 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.382 13.446 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.364 12.913 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.058 14.784 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.803 14.479 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.181 16.145 3.186 1.00 0.00 H new ATOM 132 N LYS A 7 11.020 17.442 -0.871 1.00 0.00 N ATOM 133 CA LYS A 7 12.335 17.905 -1.290 1.00 0.00 C ATOM 134 C LYS A 7 12.457 19.374 -0.878 1.00 0.00 C ATOM 135 O LYS A 7 13.409 19.755 -0.201 1.00 0.00 O ATOM 136 CB LYS A 7 12.542 17.684 -2.798 1.00 0.00 C ATOM 137 CG LYS A 7 14.018 17.535 -3.202 1.00 0.00 C ATOM 138 CD LYS A 7 14.857 18.798 -2.962 1.00 0.00 C ATOM 139 CE LYS A 7 16.255 18.675 -3.577 1.00 0.00 C ATOM 140 NZ LYS A 7 17.042 17.606 -2.936 1.00 0.00 N ATOM 0 H LYS A 7 10.434 17.126 -1.644 1.00 0.00 H new ATOM 0 HA LYS A 7 13.126 17.333 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.998 16.790 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.108 18.523 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.456 16.708 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.071 17.270 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.346 19.661 -3.389 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.945 18.978 -1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.166 18.471 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.781 19.624 -3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.998 17.587 -3.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.105 17.787 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.578 16.689 -3.098 1.00 0.00 H new ATOM 154 N SER A 8 11.482 20.198 -1.268 1.00 0.00 N ATOM 155 CA SER A 8 11.466 21.616 -0.934 1.00 0.00 C ATOM 156 C SER A 8 11.606 21.834 0.577 1.00 0.00 C ATOM 157 O SER A 8 12.388 22.675 1.004 1.00 0.00 O ATOM 158 CB SER A 8 10.196 22.279 -1.479 1.00 0.00 C ATOM 159 OG SER A 8 10.068 22.042 -2.868 1.00 0.00 O ATOM 0 H SER A 8 10.682 19.896 -1.825 1.00 0.00 H new ATOM 0 HA SER A 8 12.326 22.088 -1.409 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.323 21.889 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.229 23.352 -1.289 1.00 0.00 H new ATOM 0 HG SER A 8 9.800 21.111 -3.018 1.00 0.00 H new ATOM 165 N ILE A 9 10.861 21.088 1.395 1.00 0.00 N ATOM 166 CA ILE A 9 10.946 21.215 2.848 1.00 0.00 C ATOM 167 C ILE A 9 12.343 20.762 3.310 1.00 0.00 C ATOM 168 O ILE A 9 13.066 21.510 3.964 1.00 0.00 O ATOM 169 CB ILE A 9 9.789 20.435 3.508 1.00 0.00 C ATOM 170 CG1 ILE A 9 8.433 21.066 3.134 1.00 0.00 C ATOM 171 CG2 ILE A 9 9.941 20.439 5.035 1.00 0.00 C ATOM 172 CD1 ILE A 9 7.246 20.143 3.432 1.00 0.00 C ATOM 0 H ILE A 9 10.191 20.389 1.074 1.00 0.00 H new ATOM 0 HA ILE A 9 10.829 22.253 3.160 1.00 0.00 H new ATOM 0 HB ILE A 9 9.824 19.408 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.308 22.000 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.435 21.317 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.117 19.885 5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.886 19.969 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.928 21.466 5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.318 20.640 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.351 19.219 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.223 19.912 4.497 1.00 0.00 H new ATOM 184 N PHE A 10 12.723 19.535 2.949 1.00 0.00 N ATOM 185 CA PHE A 10 14.002 18.892 3.249 1.00 0.00 C ATOM 186 C PHE A 10 15.180 19.843 3.002 1.00 0.00 C ATOM 187 O PHE A 10 16.080 19.974 3.836 1.00 0.00 O ATOM 188 CB PHE A 10 14.101 17.629 2.380 1.00 0.00 C ATOM 189 CG PHE A 10 15.430 16.906 2.382 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.452 17.320 1.506 1.00 0.00 C ATOM 191 CD2 PHE A 10 15.582 15.719 3.120 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.628 16.564 1.391 1.00 0.00 C ATOM 193 CE2 PHE A 10 16.761 14.966 3.002 1.00 0.00 C ATOM 194 CZ PHE A 10 17.777 15.378 2.127 1.00 0.00 C ATOM 0 H PHE A 10 12.108 18.928 2.407 1.00 0.00 H new ATOM 0 HA PHE A 10 14.050 18.623 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.332 16.929 2.708 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.864 17.904 1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.330 18.220 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.792 15.387 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.420 16.895 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.886 14.067 3.587 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.672 14.784 2.020 1.00 0.00 H new ATOM 204 N GLU A 11 15.168 20.511 1.843 1.00 0.00 N ATOM 205 CA GLU A 11 16.219 21.433 1.449 1.00 0.00 C ATOM 206 C GLU A 11 16.459 22.515 2.506 1.00 0.00 C ATOM 207 O GLU A 11 17.592 22.955 2.665 1.00 0.00 O ATOM 208 CB GLU A 11 15.981 21.982 0.030 1.00 0.00 C ATOM 209 CG GLU A 11 15.408 23.402 0.007 1.00 0.00 C ATOM 210 CD GLU A 11 14.831 23.788 -1.352 1.00 0.00 C ATOM 211 OE1 GLU A 11 15.292 23.211 -2.359 1.00 0.00 O ATOM 212 OE2 GLU A 11 13.935 24.661 -1.356 1.00 0.00 O ATOM 0 H GLU A 11 14.421 20.421 1.154 1.00 0.00 H new ATOM 0 HA GLU A 11 17.155 20.877 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.924 21.971 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.299 21.316 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.628 23.486 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.192 24.109 0.277 1.00 0.00 H new ATOM 219 N LYS A 12 15.423 22.946 3.234 1.00 0.00 N ATOM 220 CA LYS A 12 15.572 23.994 4.234 1.00 0.00 C ATOM 221 C LYS A 12 16.509 23.548 5.357 1.00 0.00 C ATOM 222 O LYS A 12 17.349 24.329 5.801 1.00 0.00 O ATOM 223 CB LYS A 12 14.206 24.443 4.774 1.00 0.00 C ATOM 224 CG LYS A 12 13.193 24.826 3.682 1.00 0.00 C ATOM 225 CD LYS A 12 13.704 25.923 2.734 1.00 0.00 C ATOM 226 CE LYS A 12 12.693 26.227 1.621 1.00 0.00 C ATOM 227 NZ LYS A 12 11.425 26.760 2.149 1.00 0.00 N ATOM 0 H LYS A 12 14.475 22.581 3.145 1.00 0.00 H new ATOM 0 HA LYS A 12 16.028 24.860 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.785 23.640 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.352 25.297 5.435 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.945 23.939 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.271 25.165 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.903 26.831 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.650 25.610 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.126 26.947 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.495 25.317 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.826 27.077 1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.931 26.016 2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.622 27.564 2.778 1.00 0.00 H new ATOM 241 N TYR A 13 16.388 22.296 5.812 1.00 0.00 N ATOM 242 CA TYR A 13 17.268 21.807 6.864 1.00 0.00 C ATOM 243 C TYR A 13 18.620 21.464 6.234 1.00 0.00 C ATOM 244 O TYR A 13 19.657 21.870 6.751 1.00 0.00 O ATOM 245 CB TYR A 13 16.711 20.595 7.628 1.00 0.00 C ATOM 246 CG TYR A 13 15.229 20.542 7.932 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.372 20.089 6.915 1.00 0.00 C ATOM 248 CD2 TYR A 13 14.764 20.556 9.263 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.069 19.677 7.215 1.00 0.00 C ATOM 250 CE2 TYR A 13 13.402 20.328 9.529 1.00 0.00 C ATOM 251 CZ TYR A 13 12.552 19.879 8.504 1.00 0.00 C ATOM 252 OH TYR A 13 11.274 19.508 8.799 1.00 0.00 O ATOM 0 H TYR A 13 15.703 21.620 5.473 1.00 0.00 H new ATOM 0 HA TYR A 13 17.365 22.597 7.608 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.963 19.701 7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.245 20.529 8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.722 20.059 5.894 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.451 20.741 10.075 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.462 19.205 6.456 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.009 20.498 10.521 1.00 0.00 H new ATOM 0 HH TYR A 13 10.865 19.090 8.013 1.00 0.00 H new ATOM 262 N ALA A 14 18.623 20.725 5.116 1.00 0.00 N ATOM 263 CA ALA A 14 19.862 20.331 4.447 1.00 0.00 C ATOM 264 C ALA A 14 20.755 21.548 4.164 1.00 0.00 C ATOM 265 O ALA A 14 21.961 21.512 4.407 1.00 0.00 O ATOM 266 CB ALA A 14 19.553 19.508 3.185 1.00 0.00 C ATOM 0 H ALA A 14 17.776 20.389 4.658 1.00 0.00 H new ATOM 0 HA ALA A 14 20.433 19.687 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.486 19.223 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.999 18.611 3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.954 20.106 2.498 1.00 0.00 H new ATOM 272 N ALA A 15 20.158 22.642 3.678 1.00 0.00 N ATOM 273 CA ALA A 15 20.848 23.891 3.373 1.00 0.00 C ATOM 274 C ALA A 15 21.571 24.503 4.576 1.00 0.00 C ATOM 275 O ALA A 15 22.386 25.403 4.386 1.00 0.00 O ATOM 276 CB ALA A 15 19.872 24.901 2.762 1.00 0.00 C ATOM 0 H ALA A 15 19.158 22.680 3.483 1.00 0.00 H new ATOM 0 HA ALA A 15 21.624 23.644 2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.400 25.828 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.453 24.492 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.067 25.103 3.469 1.00 0.00 H new ATOM 282 N LYS A 16 21.309 24.040 5.806 1.00 0.00 N ATOM 283 CA LYS A 16 22.042 24.534 6.967 1.00 0.00 C ATOM 284 C LYS A 16 23.523 24.167 6.802 1.00 0.00 C ATOM 285 O LYS A 16 24.394 24.869 7.313 1.00 0.00 O ATOM 286 CB LYS A 16 21.457 23.958 8.263 1.00 0.00 C ATOM 287 CG LYS A 16 20.044 24.505 8.509 1.00 0.00 C ATOM 288 CD LYS A 16 19.400 23.812 9.716 1.00 0.00 C ATOM 289 CE LYS A 16 18.012 24.391 10.021 1.00 0.00 C ATOM 290 NZ LYS A 16 18.088 25.779 10.509 1.00 0.00 N ATOM 0 H LYS A 16 20.604 23.334 6.016 1.00 0.00 H new ATOM 0 HA LYS A 16 21.949 25.618 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.426 22.870 8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.102 24.212 9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.089 25.580 8.682 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.429 24.350 7.623 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.315 22.743 9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.043 23.926 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.399 24.356 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.517 23.771 10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.155 26.074 10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.784 25.839 11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.378 26.405 9.731 1.00 0.00 H new ATOM 304 N GLU A 17 23.804 23.081 6.071 1.00 0.00 N ATOM 305 CA GLU A 17 25.147 22.630 5.763 1.00 0.00 C ATOM 306 C GLU A 17 25.450 23.032 4.320 1.00 0.00 C ATOM 307 O GLU A 17 24.534 23.251 3.526 1.00 0.00 O ATOM 308 CB GLU A 17 25.235 21.104 5.896 1.00 0.00 C ATOM 309 CG GLU A 17 24.601 20.578 7.188 1.00 0.00 C ATOM 310 CD GLU A 17 25.103 21.278 8.444 1.00 0.00 C ATOM 311 OE1 GLU A 17 26.341 21.360 8.592 1.00 0.00 O ATOM 312 OE2 GLU A 17 24.237 21.714 9.235 1.00 0.00 O ATOM 0 H GLU A 17 23.079 22.484 5.672 1.00 0.00 H new ATOM 0 HA GLU A 17 25.863 23.079 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.742 20.641 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 17 26.282 20.802 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.519 20.695 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 17 24.802 19.510 7.273 1.00 0.00 H new ATOM 319 N GLY A 18 26.730 23.102 3.944 1.00 0.00 N ATOM 320 CA GLY A 18 27.127 23.418 2.575 1.00 0.00 C ATOM 321 C GLY A 18 26.955 22.176 1.695 1.00 0.00 C ATOM 322 O GLY A 18 27.906 21.723 1.065 1.00 0.00 O ATOM 0 H GLY A 18 27.513 22.942 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.521 24.237 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 18 28.164 23.752 2.553 1.00 0.00 H new ATOM 326 N ASP A 19 25.739 21.625 1.671 1.00 0.00 N ATOM 327 CA ASP A 19 25.355 20.417 0.959 1.00 0.00 C ATOM 328 C ASP A 19 23.822 20.322 1.004 1.00 0.00 C ATOM 329 O ASP A 19 23.278 19.529 1.774 1.00 0.00 O ATOM 330 CB ASP A 19 26.020 19.214 1.648 1.00 0.00 C ATOM 331 CG ASP A 19 25.716 17.876 0.983 1.00 0.00 C ATOM 332 OD1 ASP A 19 24.887 17.851 0.048 1.00 0.00 O ATOM 333 OD2 ASP A 19 26.328 16.885 1.436 1.00 0.00 O ATOM 0 H ASP A 19 24.956 22.038 2.178 1.00 0.00 H new ATOM 0 HA ASP A 19 25.679 20.431 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.099 19.366 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.692 19.175 2.687 1.00 0.00 H new ATOM 338 N PRO A 20 23.098 21.117 0.200 1.00 0.00 N ATOM 339 CA PRO A 20 21.640 21.158 0.210 1.00 0.00 C ATOM 340 C PRO A 20 20.981 19.921 -0.426 1.00 0.00 C ATOM 341 O PRO A 20 19.966 20.045 -1.111 1.00 0.00 O ATOM 342 CB PRO A 20 21.289 22.465 -0.513 1.00 0.00 C ATOM 343 CG PRO A 20 22.424 22.605 -1.525 1.00 0.00 C ATOM 344 CD PRO A 20 23.631 22.087 -0.744 1.00 0.00 C ATOM 0 HA PRO A 20 21.249 21.135 1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.316 22.409 -1.001 1.00 0.00 H new ATOM 0 HB3 PRO A 20 21.253 23.310 0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 20 22.240 22.017 -2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 20 22.559 23.639 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 20 24.361 21.626 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 20 24.141 22.899 -0.226 1.00 0.00 H new ATOM 352 N ASN A 21 21.526 18.721 -0.199 1.00 0.00 N ATOM 353 CA ASN A 21 20.970 17.469 -0.703 1.00 0.00 C ATOM 354 C ASN A 21 21.090 16.338 0.325 1.00 0.00 C ATOM 355 O ASN A 21 20.830 15.177 -0.016 1.00 0.00 O ATOM 356 CB ASN A 21 21.513 17.108 -2.095 1.00 0.00 C ATOM 357 CG ASN A 21 22.938 16.564 -2.107 1.00 0.00 C ATOM 358 OD1 ASN A 21 23.847 17.208 -2.615 1.00 0.00 O ATOM 359 ND2 ASN A 21 23.143 15.365 -1.568 1.00 0.00 N ATOM 0 H ASN A 21 22.378 18.595 0.348 1.00 0.00 H new ATOM 0 HA ASN A 21 19.900 17.620 -0.848 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.853 16.367 -2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.473 17.996 -2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.078 14.958 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.365 14.853 -1.152 1.00 0.00 H new ATOM 366 N GLN A 22 21.456 16.657 1.575 1.00 0.00 N ATOM 367 CA GLN A 22 21.532 15.681 2.647 1.00 0.00 C ATOM 368 C GLN A 22 21.205 16.280 3.981 1.00 0.00 C ATOM 369 O GLN A 22 21.244 17.494 4.135 1.00 0.00 O ATOM 370 CB GLN A 22 22.942 15.144 2.912 1.00 0.00 C ATOM 371 CG GLN A 22 23.737 14.707 1.677 1.00 0.00 C ATOM 372 CD GLN A 22 24.859 13.757 2.079 1.00 0.00 C ATOM 373 OE1 GLN A 22 24.621 12.566 2.243 1.00 0.00 O ATOM 374 NE2 GLN A 22 26.078 14.256 2.241 1.00 0.00 N ATOM 0 H GLN A 22 21.706 17.604 1.861 1.00 0.00 H new ATOM 0 HA GLN A 22 20.840 14.913 2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.511 15.915 3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.864 14.293 3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.074 14.217 0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.153 15.581 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 22 26.245 15.252 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.848 13.644 2.509 1.00 0.00 H new ATOM 383 N LEU A 23 20.965 15.390 4.944 1.00 0.00 N ATOM 384 CA LEU A 23 20.779 15.788 6.306 1.00 0.00 C ATOM 385 C LEU A 23 21.714 15.021 7.235 1.00 0.00 C ATOM 386 O LEU A 23 21.777 13.793 7.173 1.00 0.00 O ATOM 387 CB LEU A 23 19.336 15.510 6.749 1.00 0.00 C ATOM 388 CG LEU A 23 18.211 16.157 5.943 1.00 0.00 C ATOM 389 CD1 LEU A 23 16.899 15.451 6.286 1.00 0.00 C ATOM 390 CD2 LEU A 23 18.068 17.616 6.333 1.00 0.00 C ATOM 0 H LEU A 23 20.898 14.385 4.786 1.00 0.00 H new ATOM 0 HA LEU A 23 20.997 16.854 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.182 14.431 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.235 15.832 7.785 1.00 0.00 H new ATOM 0 HG LEU A 23 18.439 16.076 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.084 15.901 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.977 14.394 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 23 16.698 15.554 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 23 17.264 18.070 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.835 17.687 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 23 19.002 18.140 6.130 1.00 0.00 H new ATOM 402 N SER A 24 22.420 15.748 8.106 1.00 0.00 N ATOM 403 CA SER A 24 23.259 15.160 9.134 1.00 0.00 C ATOM 404 C SER A 24 22.419 15.017 10.407 1.00 0.00 C ATOM 405 O SER A 24 21.212 15.259 10.399 1.00 0.00 O ATOM 406 CB SER A 24 24.536 15.976 9.372 1.00 0.00 C ATOM 407 OG SER A 24 25.446 15.192 10.121 1.00 0.00 O ATOM 0 H SER A 24 22.420 16.768 8.111 1.00 0.00 H new ATOM 0 HA SER A 24 23.601 14.177 8.810 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.982 16.265 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.302 16.896 9.907 1.00 0.00 H new ATOM 0 HG SER A 24 26.267 15.704 10.277 1.00 0.00 H new ATOM 413 N LYS A 25 23.063 14.625 11.504 1.00 0.00 N ATOM 414 CA LYS A 25 22.413 14.353 12.780 1.00 0.00 C ATOM 415 C LYS A 25 21.464 15.467 13.245 1.00 0.00 C ATOM 416 O LYS A 25 20.292 15.208 13.511 1.00 0.00 O ATOM 417 CB LYS A 25 23.453 14.015 13.859 1.00 0.00 C ATOM 418 CG LYS A 25 24.350 12.837 13.449 1.00 0.00 C ATOM 419 CD LYS A 25 25.277 12.374 14.584 1.00 0.00 C ATOM 420 CE LYS A 25 24.558 11.698 15.760 1.00 0.00 C ATOM 421 NZ LYS A 25 23.824 10.489 15.343 1.00 0.00 N ATOM 0 H LYS A 25 24.073 14.485 11.529 1.00 0.00 H new ATOM 0 HA LYS A 25 21.778 13.482 12.617 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.072 14.891 14.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 22.942 13.774 14.791 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.724 12.002 13.133 1.00 0.00 H new ATOM 0 HG3 LYS A 25 24.953 13.127 12.589 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.011 11.679 14.176 1.00 0.00 H new ATOM 0 HD3 LYS A 25 25.829 13.236 14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.287 11.432 16.525 1.00 0.00 H new ATOM 0 HE3 LYS A 25 23.863 12.405 16.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.096 9.691 15.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.801 10.657 15.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 24.056 10.266 14.354 1.00 0.00 H new ATOM 435 N GLU A 26 21.963 16.701 13.363 1.00 0.00 N ATOM 436 CA GLU A 26 21.179 17.832 13.843 1.00 0.00 C ATOM 437 C GLU A 26 19.961 18.088 12.950 1.00 0.00 C ATOM 438 O GLU A 26 18.825 18.147 13.421 1.00 0.00 O ATOM 439 CB GLU A 26 22.047 19.099 13.962 1.00 0.00 C ATOM 440 CG GLU A 26 23.385 18.874 14.684 1.00 0.00 C ATOM 441 CD GLU A 26 24.536 18.607 13.712 1.00 0.00 C ATOM 442 OE1 GLU A 26 24.596 17.470 13.196 1.00 0.00 O ATOM 443 OE2 GLU A 26 25.330 19.547 13.498 1.00 0.00 O ATOM 0 H GLU A 26 22.926 16.940 13.126 1.00 0.00 H new ATOM 0 HA GLU A 26 20.814 17.577 14.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.246 19.486 12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.483 19.865 14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.620 19.750 15.289 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.288 18.031 15.368 1.00 0.00 H new ATOM 450 N GLU A 27 20.212 18.246 11.651 1.00 0.00 N ATOM 451 CA GLU A 27 19.174 18.506 10.667 1.00 0.00 C ATOM 452 C GLU A 27 18.117 17.399 10.712 1.00 0.00 C ATOM 453 O GLU A 27 16.920 17.683 10.728 1.00 0.00 O ATOM 454 CB GLU A 27 19.780 18.663 9.266 1.00 0.00 C ATOM 455 CG GLU A 27 20.948 19.658 9.206 1.00 0.00 C ATOM 456 CD GLU A 27 22.280 18.951 9.405 1.00 0.00 C ATOM 457 OE1 GLU A 27 22.806 18.453 8.388 1.00 0.00 O ATOM 458 OE2 GLU A 27 22.708 18.842 10.574 1.00 0.00 O ATOM 0 H GLU A 27 21.150 18.196 11.254 1.00 0.00 H new ATOM 0 HA GLU A 27 18.681 19.447 10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.126 17.689 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.001 18.989 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.945 20.170 8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.820 20.421 9.974 1.00 0.00 H new ATOM 465 N LEU A 28 18.559 16.137 10.745 1.00 0.00 N ATOM 466 CA LEU A 28 17.648 15.009 10.827 1.00 0.00 C ATOM 467 C LEU A 28 16.824 15.118 12.103 1.00 0.00 C ATOM 468 O LEU A 28 15.604 15.089 12.027 1.00 0.00 O ATOM 469 CB LEU A 28 18.395 13.672 10.848 1.00 0.00 C ATOM 470 CG LEU A 28 18.923 13.222 9.488 1.00 0.00 C ATOM 471 CD1 LEU A 28 20.005 12.157 9.679 1.00 0.00 C ATOM 472 CD2 LEU A 28 17.775 12.664 8.633 1.00 0.00 C ATOM 0 H LEU A 28 19.545 15.879 10.716 1.00 0.00 H new ATOM 0 HA LEU A 28 17.010 15.036 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 28 19.232 13.749 11.542 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.728 12.903 11.237 1.00 0.00 H new ATOM 0 HG LEU A 28 19.356 14.080 8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.379 11.839 8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.825 12.573 10.264 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.583 11.300 10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 28 18.163 12.346 7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.324 11.811 9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.022 13.438 8.485 1.00 0.00 H new ATOM 484 N LYS A 29 17.471 15.241 13.268 1.00 0.00 N ATOM 485 CA LYS A 29 16.792 15.362 14.555 1.00 0.00 C ATOM 486 C LYS A 29 15.673 16.395 14.444 1.00 0.00 C ATOM 487 O LYS A 29 14.519 16.099 14.757 1.00 0.00 O ATOM 488 CB LYS A 29 17.812 15.751 15.641 1.00 0.00 C ATOM 489 CG LYS A 29 17.193 16.238 16.962 1.00 0.00 C ATOM 490 CD LYS A 29 16.460 15.141 17.747 1.00 0.00 C ATOM 491 CE LYS A 29 17.440 14.123 18.346 1.00 0.00 C ATOM 492 NZ LYS A 29 16.753 13.196 19.260 1.00 0.00 N ATOM 0 H LYS A 29 18.488 15.259 13.340 1.00 0.00 H new ATOM 0 HA LYS A 29 16.347 14.407 14.836 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.446 14.889 15.849 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.459 16.536 15.248 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.981 16.655 17.589 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.494 17.047 16.748 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.873 15.595 18.545 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.759 14.628 17.088 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.918 13.560 17.545 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.230 14.648 18.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.268 12.293 19.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.721 13.609 20.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.784 13.030 18.922 1.00 0.00 H new ATOM 506 N GLN A 30 16.028 17.600 13.992 1.00 0.00 N ATOM 507 CA GLN A 30 15.077 18.686 13.821 1.00 0.00 C ATOM 508 C GLN A 30 13.912 18.196 12.955 1.00 0.00 C ATOM 509 O GLN A 30 12.754 18.279 13.367 1.00 0.00 O ATOM 510 CB GLN A 30 15.781 19.895 13.194 1.00 0.00 C ATOM 511 CG GLN A 30 16.788 20.535 14.162 1.00 0.00 C ATOM 512 CD GLN A 30 17.785 21.447 13.450 1.00 0.00 C ATOM 513 OE1 GLN A 30 17.702 21.672 12.246 1.00 0.00 O ATOM 514 NE2 GLN A 30 18.747 21.990 14.191 1.00 0.00 N ATOM 0 H GLN A 30 16.985 17.844 13.736 1.00 0.00 H new ATOM 0 HA GLN A 30 14.679 19.000 14.786 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.297 19.584 12.286 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.038 20.636 12.900 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.249 21.110 14.915 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.331 19.750 14.688 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.796 21.789 15.190 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.435 22.608 13.760 1.00 0.00 H new ATOM 523 N LEU A 31 14.226 17.675 11.763 1.00 0.00 N ATOM 524 CA LEU A 31 13.237 17.119 10.848 1.00 0.00 C ATOM 525 C LEU A 31 12.281 16.157 11.535 1.00 0.00 C ATOM 526 O LEU A 31 11.068 16.307 11.450 1.00 0.00 O ATOM 527 CB LEU A 31 13.913 16.508 9.608 1.00 0.00 C ATOM 528 CG LEU A 31 12.924 16.249 8.455 1.00 0.00 C ATOM 529 CD1 LEU A 31 13.677 16.247 7.122 1.00 0.00 C ATOM 530 CD2 LEU A 31 12.197 14.904 8.567 1.00 0.00 C ATOM 0 H LEU A 31 15.182 17.630 11.409 1.00 0.00 H new ATOM 0 HA LEU A 31 12.615 17.944 10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.700 17.178 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.393 15.570 9.887 1.00 0.00 H new ATOM 0 HG LEU A 31 12.184 17.047 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.976 16.064 6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.159 17.214 6.975 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.434 15.462 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.517 14.787 7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.927 14.094 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 31 11.630 14.873 9.497 1.00 0.00 H new ATOM 542 N ILE A 32 12.835 15.172 12.219 1.00 0.00 N ATOM 543 CA ILE A 32 12.063 14.157 12.922 1.00 0.00 C ATOM 544 C ILE A 32 11.091 14.818 13.884 1.00 0.00 C ATOM 545 O ILE A 32 9.877 14.679 13.770 1.00 0.00 O ATOM 546 CB ILE A 32 12.950 13.101 13.622 1.00 0.00 C ATOM 547 CG1 ILE A 32 13.845 12.293 12.662 1.00 0.00 C ATOM 548 CG2 ILE A 32 12.079 12.131 14.438 1.00 0.00 C ATOM 549 CD1 ILE A 32 13.109 11.671 11.473 1.00 0.00 C ATOM 0 H ILE A 32 13.844 15.051 12.304 1.00 0.00 H new ATOM 0 HA ILE A 32 11.491 13.603 12.178 1.00 0.00 H new ATOM 0 HB ILE A 32 13.618 13.665 14.273 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.631 12.946 12.284 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.334 11.498 13.225 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.716 11.393 14.926 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.524 12.688 15.193 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.379 11.624 13.774 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.818 11.122 10.853 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.341 10.988 11.837 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.643 12.459 10.881 1.00 0.00 H new ATOM 561 N GLN A 33 11.665 15.536 14.834 1.00 0.00 N ATOM 562 CA GLN A 33 10.937 16.206 15.899 1.00 0.00 C ATOM 563 C GLN A 33 9.813 17.105 15.376 1.00 0.00 C ATOM 564 O GLN A 33 8.699 17.050 15.889 1.00 0.00 O ATOM 565 CB GLN A 33 11.903 16.997 16.792 1.00 0.00 C ATOM 566 CG GLN A 33 12.851 16.086 17.587 1.00 0.00 C ATOM 567 CD GLN A 33 12.120 15.126 18.521 1.00 0.00 C ATOM 568 OE1 GLN A 33 12.288 13.915 18.428 1.00 0.00 O ATOM 569 NE2 GLN A 33 11.302 15.650 19.427 1.00 0.00 N ATOM 0 H GLN A 33 12.674 15.673 14.888 1.00 0.00 H new ATOM 0 HA GLN A 33 10.457 15.430 16.495 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.491 17.676 16.174 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.330 17.613 17.485 1.00 0.00 H new ATOM 0 HG2 GLN A 33 13.461 15.511 16.890 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.532 16.704 18.172 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.182 16.661 19.481 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.794 15.041 20.068 1.00 0.00 H new ATOM 578 N ALA A 34 10.105 17.941 14.380 1.00 0.00 N ATOM 579 CA ALA A 34 9.133 18.883 13.843 1.00 0.00 C ATOM 580 C ALA A 34 8.152 18.260 12.845 1.00 0.00 C ATOM 581 O ALA A 34 6.945 18.475 12.941 1.00 0.00 O ATOM 582 CB ALA A 34 9.885 20.044 13.186 1.00 0.00 C ATOM 0 H ALA A 34 11.018 17.982 13.927 1.00 0.00 H new ATOM 0 HA ALA A 34 8.525 19.230 14.678 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.169 20.758 12.779 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.509 20.540 13.929 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.513 19.662 12.381 1.00 0.00 H new ATOM 588 N GLU A 35 8.672 17.524 11.865 1.00 0.00 N ATOM 589 CA GLU A 35 7.909 16.965 10.759 1.00 0.00 C ATOM 590 C GLU A 35 7.198 15.647 11.076 1.00 0.00 C ATOM 591 O GLU A 35 6.077 15.449 10.608 1.00 0.00 O ATOM 592 CB GLU A 35 8.837 16.836 9.539 1.00 0.00 C ATOM 593 CG GLU A 35 8.107 17.043 8.205 1.00 0.00 C ATOM 594 CD GLU A 35 9.078 17.009 7.028 1.00 0.00 C ATOM 595 OE1 GLU A 35 10.018 17.837 7.043 1.00 0.00 O ATOM 596 OE2 GLU A 35 8.864 16.168 6.129 1.00 0.00 O ATOM 0 H GLU A 35 9.665 17.295 11.820 1.00 0.00 H new ATOM 0 HA GLU A 35 7.093 17.655 10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.642 17.566 9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.300 15.849 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.351 16.268 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.584 17.999 8.219 1.00 0.00 H new ATOM 603 N PHE A 36 7.815 14.732 11.833 1.00 0.00 N ATOM 604 CA PHE A 36 7.190 13.444 12.130 1.00 0.00 C ATOM 605 C PHE A 36 7.823 12.720 13.326 1.00 0.00 C ATOM 606 O PHE A 36 8.566 11.757 13.139 1.00 0.00 O ATOM 607 CB PHE A 36 7.117 12.551 10.872 1.00 0.00 C ATOM 608 CG PHE A 36 8.293 12.592 9.906 1.00 0.00 C ATOM 609 CD1 PHE A 36 9.414 11.764 10.107 1.00 0.00 C ATOM 610 CD2 PHE A 36 8.172 13.311 8.701 1.00 0.00 C ATOM 611 CE1 PHE A 36 10.396 11.651 9.110 1.00 0.00 C ATOM 612 CE2 PHE A 36 9.135 13.163 7.686 1.00 0.00 C ATOM 613 CZ PHE A 36 10.242 12.322 7.886 1.00 0.00 C ATOM 0 H PHE A 36 8.739 14.860 12.247 1.00 0.00 H new ATOM 0 HA PHE A 36 6.167 13.662 12.438 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.988 11.520 11.200 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.219 12.824 10.318 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.519 11.214 11.031 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.336 13.979 8.555 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.273 11.046 9.285 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.023 13.696 6.753 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.972 12.192 7.101 1.00 0.00 H new ATOM 753 N THR A 45 13.076 4.294 17.907 1.00 0.00 N ATOM 754 CA THR A 45 14.355 4.210 17.222 1.00 0.00 C ATOM 755 C THR A 45 15.049 5.550 17.288 1.00 0.00 C ATOM 756 O THR A 45 16.145 5.687 17.825 1.00 0.00 O ATOM 757 CB THR A 45 14.186 3.767 15.747 1.00 0.00 C ATOM 758 OG1 THR A 45 14.522 2.401 15.645 1.00 0.00 O ATOM 759 CG2 THR A 45 15.002 4.556 14.690 1.00 0.00 C ATOM 0 HA THR A 45 14.962 3.455 17.722 1.00 0.00 H new ATOM 0 HB THR A 45 13.143 3.975 15.510 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.418 2.107 14.716 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.799 4.152 13.698 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.716 5.607 14.720 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.066 4.464 14.908 1.00 0.00 H new ATOM 767 N LEU A 46 14.361 6.492 16.651 1.00 0.00 N ATOM 768 CA LEU A 46 14.756 7.835 16.278 1.00 0.00 C ATOM 769 C LEU A 46 16.088 7.802 15.527 1.00 0.00 C ATOM 770 O LEU A 46 16.112 8.134 14.345 1.00 0.00 O ATOM 771 CB LEU A 46 14.734 8.822 17.447 1.00 0.00 C ATOM 772 CG LEU A 46 14.916 10.269 16.939 1.00 0.00 C ATOM 773 CD1 LEU A 46 14.114 11.229 17.822 1.00 0.00 C ATOM 774 CD2 LEU A 46 16.384 10.718 16.929 1.00 0.00 C ATOM 0 H LEU A 46 13.404 6.305 16.352 1.00 0.00 H new ATOM 0 HA LEU A 46 14.003 8.226 15.594 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.790 8.736 17.985 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.527 8.576 18.153 1.00 0.00 H new ATOM 0 HG LEU A 46 14.556 10.289 15.910 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.244 12.249 17.462 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.058 10.962 17.784 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.468 11.160 18.850 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.449 11.743 16.563 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.787 10.668 17.941 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.961 10.062 16.277 1.00 0.00 H new ATOM 786 N ASP A 47 17.178 7.405 16.191 1.00 0.00 N ATOM 787 CA ASP A 47 18.518 7.384 15.641 1.00 0.00 C ATOM 788 C ASP A 47 18.990 6.094 14.965 1.00 0.00 C ATOM 789 O ASP A 47 19.831 6.179 14.079 1.00 0.00 O ATOM 790 CB ASP A 47 19.516 7.856 16.705 1.00 0.00 C ATOM 791 CG ASP A 47 20.930 7.994 16.146 1.00 0.00 C ATOM 792 OD1 ASP A 47 21.193 9.040 15.516 1.00 0.00 O ATOM 793 OD2 ASP A 47 21.725 7.057 16.370 1.00 0.00 O ATOM 0 H ASP A 47 17.140 7.081 17.157 1.00 0.00 H new ATOM 0 HA ASP A 47 18.473 8.076 14.800 1.00 0.00 H new ATOM 0 HB2 ASP A 47 19.190 8.816 17.106 1.00 0.00 H new ATOM 0 HB3 ASP A 47 19.522 7.149 17.535 1.00 0.00 H new ATOM 798 N ASP A 48 18.499 4.912 15.338 1.00 0.00 N ATOM 799 CA ASP A 48 18.967 3.660 14.738 1.00 0.00 C ATOM 800 C ASP A 48 18.929 3.658 13.198 1.00 0.00 C ATOM 801 O ASP A 48 19.969 3.688 12.536 1.00 0.00 O ATOM 802 CB ASP A 48 18.186 2.479 15.331 1.00 0.00 C ATOM 803 CG ASP A 48 18.621 1.161 14.697 1.00 0.00 C ATOM 804 OD1 ASP A 48 19.682 0.654 15.118 1.00 0.00 O ATOM 805 OD2 ASP A 48 17.893 0.699 13.793 1.00 0.00 O ATOM 0 H ASP A 48 17.779 4.794 16.051 1.00 0.00 H new ATOM 0 HA ASP A 48 20.022 3.556 14.990 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.345 2.438 16.409 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.118 2.628 15.172 1.00 0.00 H new ATOM 810 N LEU A 49 17.729 3.615 12.613 1.00 0.00 N ATOM 811 CA LEU A 49 17.586 3.580 11.156 1.00 0.00 C ATOM 812 C LEU A 49 18.162 4.852 10.525 1.00 0.00 C ATOM 813 O LEU A 49 18.831 4.805 9.500 1.00 0.00 O ATOM 814 CB LEU A 49 16.146 3.240 10.735 1.00 0.00 C ATOM 815 CG LEU A 49 15.093 4.341 10.950 1.00 0.00 C ATOM 816 CD1 LEU A 49 14.948 5.233 9.712 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.726 3.703 11.223 1.00 0.00 C ATOM 0 H LEU A 49 16.846 3.604 13.124 1.00 0.00 H new ATOM 0 HA LEU A 49 18.184 2.761 10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.153 2.975 9.678 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.830 2.353 11.284 1.00 0.00 H new ATOM 0 HG LEU A 49 15.424 4.945 11.795 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.196 5.999 9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.904 5.709 9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.641 4.626 8.860 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.983 4.486 11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.436 3.087 10.372 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.786 3.082 12.117 1.00 0.00 H new ATOM 829 N PHE A 50 17.918 5.990 11.172 1.00 0.00 N ATOM 830 CA PHE A 50 18.418 7.313 10.806 1.00 0.00 C ATOM 831 C PHE A 50 19.928 7.218 10.555 1.00 0.00 C ATOM 832 O PHE A 50 20.425 7.685 9.534 1.00 0.00 O ATOM 833 CB PHE A 50 18.023 8.205 11.990 1.00 0.00 C ATOM 834 CG PHE A 50 18.549 9.615 12.206 1.00 0.00 C ATOM 835 CD1 PHE A 50 19.921 9.825 12.464 1.00 0.00 C ATOM 836 CD2 PHE A 50 17.622 10.568 12.680 1.00 0.00 C ATOM 837 CE1 PHE A 50 20.352 10.972 13.151 1.00 0.00 C ATOM 838 CE2 PHE A 50 18.046 11.664 13.451 1.00 0.00 C ATOM 839 CZ PHE A 50 19.415 11.881 13.670 1.00 0.00 C ATOM 0 H PHE A 50 17.336 6.015 12.009 1.00 0.00 H new ATOM 0 HA PHE A 50 18.006 7.727 9.886 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.937 8.287 11.960 1.00 0.00 H new ATOM 0 HB3 PHE A 50 18.276 7.645 12.890 1.00 0.00 H new ATOM 0 HD1 PHE A 50 20.646 9.097 12.130 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.574 10.454 12.447 1.00 0.00 H new ATOM 0 HE1 PHE A 50 21.408 11.156 13.281 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.318 12.340 13.875 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.746 12.741 14.234 1.00 0.00 H new ATOM 849 N GLN A 51 20.656 6.594 11.486 1.00 0.00 N ATOM 850 CA GLN A 51 22.091 6.398 11.388 1.00 0.00 C ATOM 851 C GLN A 51 22.393 5.413 10.259 1.00 0.00 C ATOM 852 O GLN A 51 23.265 5.671 9.435 1.00 0.00 O ATOM 853 CB GLN A 51 22.639 5.934 12.745 1.00 0.00 C ATOM 854 CG GLN A 51 24.168 5.829 12.741 1.00 0.00 C ATOM 855 CD GLN A 51 24.702 5.523 14.136 1.00 0.00 C ATOM 856 OE1 GLN A 51 25.426 6.321 14.722 1.00 0.00 O ATOM 857 NE2 GLN A 51 24.349 4.364 14.684 1.00 0.00 N ATOM 0 H GLN A 51 20.251 6.208 12.339 1.00 0.00 H new ATOM 0 HA GLN A 51 22.592 7.335 11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.326 6.633 13.521 1.00 0.00 H new ATOM 0 HB3 GLN A 51 22.210 4.964 12.997 1.00 0.00 H new ATOM 0 HG2 GLN A 51 24.480 5.046 12.049 1.00 0.00 H new ATOM 0 HG3 GLN A 51 24.599 6.763 12.380 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.745 3.721 14.172 1.00 0.00 H new ATOM 0 HE22 GLN A 51 24.682 4.118 15.616 1.00 0.00 H new ATOM 866 N GLU A 52 21.673 4.287 10.206 1.00 0.00 N ATOM 867 CA GLU A 52 21.855 3.288 9.152 1.00 0.00 C ATOM 868 C GLU A 52 21.795 3.947 7.764 1.00 0.00 C ATOM 869 O GLU A 52 22.584 3.615 6.883 1.00 0.00 O ATOM 870 CB GLU A 52 20.819 2.163 9.325 1.00 0.00 C ATOM 871 CG GLU A 52 21.069 0.940 8.426 1.00 0.00 C ATOM 872 CD GLU A 52 20.677 1.147 6.961 1.00 0.00 C ATOM 873 OE1 GLU A 52 19.677 1.859 6.725 1.00 0.00 O ATOM 874 OE2 GLU A 52 21.375 0.565 6.103 1.00 0.00 O ATOM 0 H GLU A 52 20.954 4.045 10.888 1.00 0.00 H new ATOM 0 HA GLU A 52 22.844 2.838 9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.817 1.841 10.366 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.827 2.561 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.126 0.678 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.512 0.091 8.823 1.00 0.00 H new ATOM 881 N LEU A 53 20.866 4.887 7.573 1.00 0.00 N ATOM 882 CA LEU A 53 20.680 5.617 6.323 1.00 0.00 C ATOM 883 C LEU A 53 21.831 6.579 5.979 1.00 0.00 C ATOM 884 O LEU A 53 21.784 7.215 4.925 1.00 0.00 O ATOM 885 CB LEU A 53 19.325 6.344 6.363 1.00 0.00 C ATOM 886 CG LEU A 53 18.104 5.408 6.356 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.843 6.241 6.617 1.00 0.00 C ATOM 888 CD2 LEU A 53 17.934 4.649 5.036 1.00 0.00 C ATOM 0 H LEU A 53 20.209 5.166 8.302 1.00 0.00 H new ATOM 0 HA LEU A 53 20.687 4.885 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.286 6.966 7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.260 7.014 5.505 1.00 0.00 H new ATOM 0 HG LEU A 53 18.262 4.663 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.969 5.589 6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.926 6.733 7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.736 6.994 5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.055 4.007 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.808 5.361 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.818 4.039 4.851 1.00 0.00 H new ATOM 900 N ASP A 54 22.862 6.712 6.819 1.00 0.00 N ATOM 901 CA ASP A 54 24.002 7.577 6.538 1.00 0.00 C ATOM 902 C ASP A 54 24.775 7.040 5.336 1.00 0.00 C ATOM 903 O ASP A 54 25.483 6.044 5.457 1.00 0.00 O ATOM 904 CB ASP A 54 24.939 7.641 7.750 1.00 0.00 C ATOM 905 CG ASP A 54 24.363 8.394 8.940 1.00 0.00 C ATOM 906 OD1 ASP A 54 23.525 9.289 8.700 1.00 0.00 O ATOM 907 OD2 ASP A 54 24.852 8.140 10.064 1.00 0.00 O ATOM 0 H ASP A 54 22.926 6.222 7.711 1.00 0.00 H new ATOM 0 HA ASP A 54 23.630 8.578 6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 54 25.184 6.625 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 54 25.873 8.117 7.450 1.00 0.00 H new ATOM 974 N GLU A 60 24.877 11.427 7.436 1.00 0.00 N ATOM 975 CA GLU A 60 24.763 11.853 6.046 1.00 0.00 C ATOM 976 C GLU A 60 23.598 11.152 5.345 1.00 0.00 C ATOM 977 O GLU A 60 23.811 10.319 4.465 1.00 0.00 O ATOM 978 CB GLU A 60 26.066 11.534 5.294 1.00 0.00 C ATOM 979 CG GLU A 60 27.223 12.481 5.655 1.00 0.00 C ATOM 980 CD GLU A 60 28.347 12.470 4.622 1.00 0.00 C ATOM 981 OE1 GLU A 60 28.023 12.634 3.425 1.00 0.00 O ATOM 982 OE2 GLU A 60 29.511 12.312 5.045 1.00 0.00 O ATOM 0 HA GLU A 60 24.579 12.927 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 60 26.363 10.508 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.881 11.589 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.837 13.496 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.627 12.198 6.627 1.00 0.00 H new ATOM 989 N VAL A 61 22.360 11.474 5.710 1.00 0.00 N ATOM 990 CA VAL A 61 21.204 10.881 5.058 1.00 0.00 C ATOM 991 C VAL A 61 20.898 11.753 3.851 1.00 0.00 C ATOM 992 O VAL A 61 20.285 12.815 3.969 1.00 0.00 O ATOM 993 CB VAL A 61 20.023 10.773 6.032 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.750 10.273 5.331 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.368 9.811 7.172 1.00 0.00 C ATOM 0 H VAL A 61 22.136 12.139 6.450 1.00 0.00 H new ATOM 0 HA VAL A 61 21.401 9.859 4.734 1.00 0.00 H new ATOM 0 HB VAL A 61 19.834 11.773 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.937 10.210 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.476 10.967 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 61 18.933 9.287 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.523 9.741 7.858 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.585 8.824 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.241 10.181 7.709 1.00 0.00 H new ATOM 1005 N SER A 62 21.351 11.304 2.683 1.00 0.00 N ATOM 1006 CA SER A 62 21.119 12.016 1.443 1.00 0.00 C ATOM 1007 C SER A 62 19.653 11.884 1.050 1.00 0.00 C ATOM 1008 O SER A 62 18.976 10.971 1.527 1.00 0.00 O ATOM 1009 CB SER A 62 22.056 11.470 0.368 1.00 0.00 C ATOM 1010 OG SER A 62 21.571 10.253 -0.155 1.00 0.00 O ATOM 0 H SER A 62 21.885 10.442 2.576 1.00 0.00 H new ATOM 0 HA SER A 62 21.333 13.078 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.158 12.200 -0.435 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.050 11.318 0.790 1.00 0.00 H new ATOM 0 HG SER A 62 21.930 9.506 0.368 1.00 0.00 H new ATOM 1016 N PHE A 63 19.147 12.767 0.182 1.00 0.00 N ATOM 1017 CA PHE A 63 17.758 12.665 -0.265 1.00 0.00 C ATOM 1018 C PHE A 63 17.464 11.247 -0.789 1.00 0.00 C ATOM 1019 O PHE A 63 16.392 10.688 -0.557 1.00 0.00 O ATOM 1020 CB PHE A 63 17.433 13.750 -1.300 1.00 0.00 C ATOM 1021 CG PHE A 63 15.944 13.937 -1.533 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.139 14.470 -0.508 1.00 0.00 C ATOM 1023 CD2 PHE A 63 15.348 13.536 -2.743 1.00 0.00 C ATOM 1024 CE1 PHE A 63 13.751 14.595 -0.686 1.00 0.00 C ATOM 1025 CE2 PHE A 63 13.960 13.678 -2.929 1.00 0.00 C ATOM 1026 CZ PHE A 63 13.160 14.206 -1.899 1.00 0.00 C ATOM 0 H PHE A 63 19.669 13.546 -0.218 1.00 0.00 H new ATOM 0 HA PHE A 63 17.101 12.838 0.587 1.00 0.00 H new ATOM 0 HB2 PHE A 63 17.863 14.696 -0.971 1.00 0.00 H new ATOM 0 HB3 PHE A 63 17.912 13.494 -2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 63 15.591 14.785 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 63 15.957 13.118 -3.531 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.138 14.990 0.111 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.508 13.381 -3.864 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.095 14.312 -2.041 1.00 0.00 H new ATOM 1036 N GLU A 64 18.452 10.659 -1.473 1.00 0.00 N ATOM 1037 CA GLU A 64 18.404 9.312 -2.024 1.00 0.00 C ATOM 1038 C GLU A 64 18.066 8.265 -0.952 1.00 0.00 C ATOM 1039 O GLU A 64 17.427 7.263 -1.264 1.00 0.00 O ATOM 1040 CB GLU A 64 19.732 8.959 -2.713 1.00 0.00 C ATOM 1041 CG GLU A 64 20.210 10.003 -3.739 1.00 0.00 C ATOM 1042 CD GLU A 64 21.116 11.069 -3.122 1.00 0.00 C ATOM 1043 OE1 GLU A 64 20.557 12.063 -2.605 1.00 0.00 O ATOM 1044 OE2 GLU A 64 22.349 10.866 -3.168 1.00 0.00 O ATOM 0 H GLU A 64 19.337 11.131 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 64 17.605 9.296 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.502 8.836 -1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.623 7.997 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.746 9.497 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.343 10.486 -4.190 1.00 0.00 H new ATOM 1051 N GLU A 65 18.483 8.486 0.300 1.00 0.00 N ATOM 1052 CA GLU A 65 18.206 7.587 1.418 1.00 0.00 C ATOM 1053 C GLU A 65 16.973 8.073 2.191 1.00 0.00 C ATOM 1054 O GLU A 65 16.177 7.261 2.659 1.00 0.00 O ATOM 1055 CB GLU A 65 19.434 7.461 2.332 1.00 0.00 C ATOM 1056 CG GLU A 65 20.462 6.454 1.793 1.00 0.00 C ATOM 1057 CD GLU A 65 21.205 6.973 0.571 1.00 0.00 C ATOM 1058 OE1 GLU A 65 22.094 7.825 0.782 1.00 0.00 O ATOM 1059 OE2 GLU A 65 20.876 6.523 -0.547 1.00 0.00 O ATOM 0 H GLU A 65 19.029 9.306 0.565 1.00 0.00 H new ATOM 0 HA GLU A 65 17.989 6.593 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.907 8.437 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.113 7.152 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.181 6.219 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 65 19.954 5.524 1.537 1.00 0.00 H new ATOM 1066 N PHE A 66 16.809 9.393 2.319 1.00 0.00 N ATOM 1067 CA PHE A 66 15.699 10.047 3.011 1.00 0.00 C ATOM 1068 C PHE A 66 14.352 9.420 2.659 1.00 0.00 C ATOM 1069 O PHE A 66 13.497 9.259 3.529 1.00 0.00 O ATOM 1070 CB PHE A 66 15.687 11.536 2.658 1.00 0.00 C ATOM 1071 CG PHE A 66 14.594 12.334 3.341 1.00 0.00 C ATOM 1072 CD1 PHE A 66 14.622 12.512 4.735 1.00 0.00 C ATOM 1073 CD2 PHE A 66 13.514 12.843 2.593 1.00 0.00 C ATOM 1074 CE1 PHE A 66 13.551 13.149 5.386 1.00 0.00 C ATOM 1075 CE2 PHE A 66 12.472 13.529 3.240 1.00 0.00 C ATOM 1076 CZ PHE A 66 12.481 13.668 4.638 1.00 0.00 C ATOM 0 H PHE A 66 17.474 10.060 1.927 1.00 0.00 H new ATOM 0 HA PHE A 66 15.849 9.915 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.653 11.967 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 66 15.575 11.640 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.467 12.159 5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.487 12.706 1.522 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.551 13.239 6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 66 11.663 13.950 2.662 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.667 14.173 5.137 1.00 0.00 H new ATOM 1086 N GLN A 67 14.161 9.062 1.384 1.00 0.00 N ATOM 1087 CA GLN A 67 12.933 8.428 0.925 1.00 0.00 C ATOM 1088 C GLN A 67 12.488 7.245 1.806 1.00 0.00 C ATOM 1089 O GLN A 67 11.292 6.971 1.891 1.00 0.00 O ATOM 1090 CB GLN A 67 12.972 8.124 -0.583 1.00 0.00 C ATOM 1091 CG GLN A 67 14.210 7.370 -1.085 1.00 0.00 C ATOM 1092 CD GLN A 67 14.287 5.915 -0.633 1.00 0.00 C ATOM 1093 OE1 GLN A 67 13.275 5.289 -0.336 1.00 0.00 O ATOM 1094 NE2 GLN A 67 15.492 5.362 -0.584 1.00 0.00 N ATOM 0 H GLN A 67 14.854 9.205 0.649 1.00 0.00 H new ATOM 0 HA GLN A 67 12.134 9.158 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.087 7.541 -0.839 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.900 9.067 -1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.222 7.401 -2.175 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.103 7.892 -0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.315 5.909 -0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.596 4.390 -0.293 1.00 0.00 H new ATOM 1103 N VAL A 68 13.411 6.556 2.490 1.00 0.00 N ATOM 1104 CA VAL A 68 13.043 5.464 3.386 1.00 0.00 C ATOM 1105 C VAL A 68 12.116 5.989 4.494 1.00 0.00 C ATOM 1106 O VAL A 68 11.194 5.292 4.908 1.00 0.00 O ATOM 1107 CB VAL A 68 14.298 4.757 3.928 1.00 0.00 C ATOM 1108 CG1 VAL A 68 13.929 3.678 4.957 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.054 4.088 2.770 1.00 0.00 C ATOM 0 H VAL A 68 14.413 6.738 2.437 1.00 0.00 H new ATOM 0 HA VAL A 68 12.485 4.707 2.835 1.00 0.00 H new ATOM 0 HB VAL A 68 14.922 5.509 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.837 3.197 5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.402 4.138 5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.286 2.933 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.942 3.588 3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.406 3.356 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.350 4.845 2.044 1.00 0.00 H new ATOM 1119 N LEU A 69 12.322 7.224 4.965 1.00 0.00 N ATOM 1120 CA LEU A 69 11.442 7.822 5.963 1.00 0.00 C ATOM 1121 C LEU A 69 10.118 8.136 5.265 1.00 0.00 C ATOM 1122 O LEU A 69 9.045 7.787 5.757 1.00 0.00 O ATOM 1123 CB LEU A 69 12.060 9.099 6.557 1.00 0.00 C ATOM 1124 CG LEU A 69 13.285 8.828 7.447 1.00 0.00 C ATOM 1125 CD1 LEU A 69 14.053 10.132 7.682 1.00 0.00 C ATOM 1126 CD2 LEU A 69 12.880 8.229 8.798 1.00 0.00 C ATOM 0 H LEU A 69 13.091 7.825 4.668 1.00 0.00 H new ATOM 0 HA LEU A 69 11.289 7.133 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.351 9.765 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.303 9.622 7.142 1.00 0.00 H new ATOM 0 HG LEU A 69 13.918 8.107 6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.920 9.935 8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.385 10.536 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.402 10.854 8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.772 8.051 9.399 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.222 8.923 9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.358 7.286 8.636 1.00 0.00 H new ATOM 1138 N VAL A 70 10.203 8.788 4.099 1.00 0.00 N ATOM 1139 CA VAL A 70 9.037 9.152 3.294 1.00 0.00 C ATOM 1140 C VAL A 70 8.143 7.932 3.041 1.00 0.00 C ATOM 1141 O VAL A 70 6.923 8.072 2.951 1.00 0.00 O ATOM 1142 CB VAL A 70 9.457 9.816 1.972 1.00 0.00 C ATOM 1143 CG1 VAL A 70 8.233 10.201 1.132 1.00 0.00 C ATOM 1144 CG2 VAL A 70 10.317 11.061 2.239 1.00 0.00 C ATOM 0 H VAL A 70 11.090 9.078 3.687 1.00 0.00 H new ATOM 0 HA VAL A 70 8.457 9.882 3.859 1.00 0.00 H new ATOM 0 HB VAL A 70 10.047 9.090 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.561 10.668 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.653 9.307 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.614 10.902 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.603 11.516 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.745 11.779 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.213 10.773 2.789 1.00 0.00 H new ATOM 1154 N LYS A 71 8.744 6.743 2.936 1.00 0.00 N ATOM 1155 CA LYS A 71 8.057 5.476 2.737 1.00 0.00 C ATOM 1156 C LYS A 71 6.838 5.324 3.656 1.00 0.00 C ATOM 1157 O LYS A 71 5.824 4.793 3.214 1.00 0.00 O ATOM 1158 CB LYS A 71 9.043 4.316 2.946 1.00 0.00 C ATOM 1159 CG LYS A 71 8.658 3.040 2.185 1.00 0.00 C ATOM 1160 CD LYS A 71 8.803 3.122 0.654 1.00 0.00 C ATOM 1161 CE LYS A 71 10.227 3.456 0.180 1.00 0.00 C ATOM 1162 NZ LYS A 71 10.460 4.905 0.031 1.00 0.00 N ATOM 0 H LYS A 71 9.757 6.639 2.990 1.00 0.00 H new ATOM 0 HA LYS A 71 7.682 5.456 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.037 4.633 2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.105 4.090 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.275 2.219 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.624 2.792 2.423 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.500 2.170 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.117 3.879 0.274 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.946 3.049 0.892 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.411 2.964 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.482 5.089 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.002 5.243 -0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.060 5.407 0.850 1.00 0.00 H new