USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=9 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 22 GLN : amide:sc= 0.544 K(o=0.41,f=-2.8) USER MOD Set 1.2: A 62 SER OG : rot 180:sc= -0.131 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 158:sc= 0.534 (180deg=0) USER MOD Set 2.2: A 33 GLN : amide:sc= 0.397 K(o=0.93,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ -119:sc= 0.263 (180deg=-0.00166) USER MOD Single : A 8 SER OG : rot 74:sc= 1.21 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 148:sc= 1.21 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0182) USER MOD Single : A 21 ASN : amide:sc= 0.654 K(o=0.65,f=-1.3) USER MOD Single : A 24 SER OG : rot -72:sc= 1.18 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.721 K(o=0.72,f=-0.057) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.36) USER MOD Single : A 67 GLN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 0.799 (180deg=0.37) USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 3 5.360 15.376 -2.588 1.00 0.00 N ATOM 75 CA PRO A 3 6.682 15.129 -2.034 1.00 0.00 C ATOM 76 C PRO A 3 7.596 16.347 -2.230 1.00 0.00 C ATOM 77 O PRO A 3 8.551 16.515 -1.476 1.00 0.00 O ATOM 78 CB PRO A 3 7.210 13.877 -2.744 1.00 0.00 C ATOM 79 CG PRO A 3 6.378 13.806 -4.025 1.00 0.00 C ATOM 80 CD PRO A 3 5.032 14.372 -3.586 1.00 0.00 C ATOM 0 HA PRO A 3 6.648 14.967 -0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.275 13.960 -2.963 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.079 12.985 -2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.821 14.394 -4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.287 12.784 -4.392 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.494 14.811 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.392 13.594 -3.169 1.00 0.00 H new ATOM 88 N ALA A 4 7.303 17.215 -3.212 1.00 0.00 N ATOM 89 CA ALA A 4 8.070 18.430 -3.443 1.00 0.00 C ATOM 90 C ALA A 4 8.158 19.298 -2.191 1.00 0.00 C ATOM 91 O ALA A 4 9.145 19.996 -1.971 1.00 0.00 O ATOM 92 CB ALA A 4 7.492 19.210 -4.627 1.00 0.00 C ATOM 0 H ALA A 4 6.528 17.086 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 4 9.090 18.137 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.077 20.116 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.530 18.591 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.457 19.479 -4.415 1.00 0.00 H new ATOM 98 N GLU A 5 7.125 19.230 -1.361 1.00 0.00 N ATOM 99 CA GLU A 5 7.054 19.958 -0.103 1.00 0.00 C ATOM 100 C GLU A 5 8.158 19.427 0.812 1.00 0.00 C ATOM 101 O GLU A 5 8.962 20.189 1.354 1.00 0.00 O ATOM 102 CB GLU A 5 5.673 19.765 0.542 1.00 0.00 C ATOM 103 CG GLU A 5 4.529 20.337 -0.302 1.00 0.00 C ATOM 104 CD GLU A 5 4.519 21.861 -0.315 1.00 0.00 C ATOM 105 OE1 GLU A 5 3.923 22.425 0.628 1.00 0.00 O ATOM 106 OE2 GLU A 5 5.099 22.428 -1.266 1.00 0.00 O ATOM 0 H GLU A 5 6.301 18.658 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 5 7.195 21.026 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.500 18.701 0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.667 20.242 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.617 19.969 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.578 19.974 0.087 1.00 0.00 H new ATOM 113 N LEU A 6 8.196 18.097 0.959 1.00 0.00 N ATOM 114 CA LEU A 6 9.185 17.410 1.774 1.00 0.00 C ATOM 115 C LEU A 6 10.572 17.785 1.285 1.00 0.00 C ATOM 116 O LEU A 6 11.444 18.175 2.057 1.00 0.00 O ATOM 117 CB LEU A 6 8.986 15.884 1.750 1.00 0.00 C ATOM 118 CG LEU A 6 7.577 15.415 2.144 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.506 13.888 2.017 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.234 15.815 3.581 1.00 0.00 C ATOM 0 H LEU A 6 7.531 17.468 0.508 1.00 0.00 H new ATOM 0 HA LEU A 6 9.064 17.724 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.209 15.518 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.709 15.426 2.425 1.00 0.00 H new ATOM 0 HG LEU A 6 6.858 15.892 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.509 13.546 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.715 13.598 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.243 13.433 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.230 15.467 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.952 15.363 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.275 16.900 3.676 1.00 0.00 H new ATOM 132 N LYS A 7 10.728 17.664 -0.026 1.00 0.00 N ATOM 133 CA LYS A 7 11.950 17.977 -0.749 1.00 0.00 C ATOM 134 C LYS A 7 12.374 19.409 -0.417 1.00 0.00 C ATOM 135 O LYS A 7 13.529 19.639 -0.084 1.00 0.00 O ATOM 136 CB LYS A 7 11.767 17.754 -2.260 1.00 0.00 C ATOM 137 CG LYS A 7 13.043 17.275 -2.973 1.00 0.00 C ATOM 138 CD LYS A 7 14.240 18.224 -2.814 1.00 0.00 C ATOM 139 CE LYS A 7 15.426 17.803 -3.692 1.00 0.00 C ATOM 140 NZ LYS A 7 15.978 16.497 -3.286 1.00 0.00 N ATOM 0 H LYS A 7 9.980 17.333 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 7 12.748 17.304 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.976 17.020 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.433 18.685 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.317 16.293 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.829 17.151 -4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.937 19.238 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.551 18.244 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.107 17.754 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.207 18.561 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.971 16.614 -2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.428 16.121 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.925 15.834 -4.085 1.00 0.00 H new ATOM 154 N SER A 8 11.461 20.378 -0.489 1.00 0.00 N ATOM 155 CA SER A 8 11.775 21.768 -0.189 1.00 0.00 C ATOM 156 C SER A 8 12.273 21.935 1.250 1.00 0.00 C ATOM 157 O SER A 8 13.360 22.468 1.467 1.00 0.00 O ATOM 158 CB SER A 8 10.563 22.663 -0.467 1.00 0.00 C ATOM 159 OG SER A 8 10.175 22.550 -1.822 1.00 0.00 O ATOM 0 H SER A 8 10.489 20.219 -0.756 1.00 0.00 H new ATOM 0 HA SER A 8 12.587 22.079 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.734 22.378 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.806 23.700 -0.236 1.00 0.00 H new ATOM 0 HG SER A 8 9.734 21.687 -1.965 1.00 0.00 H new ATOM 165 N ILE A 9 11.501 21.485 2.245 1.00 0.00 N ATOM 166 CA ILE A 9 11.910 21.625 3.648 1.00 0.00 C ATOM 167 C ILE A 9 13.291 20.977 3.827 1.00 0.00 C ATOM 168 O ILE A 9 14.222 21.572 4.375 1.00 0.00 O ATOM 169 CB ILE A 9 10.841 21.028 4.585 1.00 0.00 C ATOM 170 CG1 ILE A 9 9.497 21.764 4.409 1.00 0.00 C ATOM 171 CG2 ILE A 9 11.298 21.139 6.048 1.00 0.00 C ATOM 172 CD1 ILE A 9 8.338 21.065 5.125 1.00 0.00 C ATOM 0 H ILE A 9 10.600 21.026 2.109 1.00 0.00 H new ATOM 0 HA ILE A 9 11.995 22.678 3.917 1.00 0.00 H new ATOM 0 HB ILE A 9 10.707 19.978 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.593 22.781 4.790 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.267 21.842 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.535 20.714 6.701 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.233 20.594 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.451 22.188 6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.419 21.629 4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.219 20.057 4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.550 21.011 6.193 1.00 0.00 H new ATOM 184 N PHE A 10 13.410 19.747 3.327 1.00 0.00 N ATOM 185 CA PHE A 10 14.629 18.961 3.338 1.00 0.00 C ATOM 186 C PHE A 10 15.789 19.771 2.746 1.00 0.00 C ATOM 187 O PHE A 10 16.846 19.872 3.363 1.00 0.00 O ATOM 188 CB PHE A 10 14.350 17.670 2.558 1.00 0.00 C ATOM 189 CG PHE A 10 15.538 16.784 2.272 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.343 17.035 1.145 1.00 0.00 C ATOM 191 CD2 PHE A 10 15.739 15.618 3.029 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.387 16.157 0.817 1.00 0.00 C ATOM 193 CE2 PHE A 10 16.758 14.723 2.675 1.00 0.00 C ATOM 194 CZ PHE A 10 17.606 15.011 1.597 1.00 0.00 C ATOM 0 H PHE A 10 12.628 19.259 2.889 1.00 0.00 H new ATOM 0 HA PHE A 10 14.929 18.704 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.616 17.087 3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.889 17.939 1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.157 17.904 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.110 15.412 3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.020 16.362 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.890 13.809 3.235 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.429 14.350 1.366 1.00 0.00 H new ATOM 204 N GLU A 11 15.598 20.354 1.557 1.00 0.00 N ATOM 205 CA GLU A 11 16.630 21.119 0.874 1.00 0.00 C ATOM 206 C GLU A 11 17.059 22.331 1.696 1.00 0.00 C ATOM 207 O GLU A 11 18.244 22.642 1.744 1.00 0.00 O ATOM 208 CB GLU A 11 16.271 21.423 -0.594 1.00 0.00 C ATOM 209 CG GLU A 11 15.807 22.859 -0.847 1.00 0.00 C ATOM 210 CD GLU A 11 15.258 23.061 -2.258 1.00 0.00 C ATOM 211 OE1 GLU A 11 15.667 22.290 -3.154 1.00 0.00 O ATOM 212 OE2 GLU A 11 14.437 23.990 -2.410 1.00 0.00 O ATOM 0 H GLU A 11 14.717 20.304 1.045 1.00 0.00 H new ATOM 0 HA GLU A 11 17.519 20.493 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.142 21.220 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.485 20.739 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.037 23.121 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.642 23.540 -0.686 1.00 0.00 H new ATOM 219 N LYS A 12 16.120 23.020 2.355 1.00 0.00 N ATOM 220 CA LYS A 12 16.471 24.167 3.184 1.00 0.00 C ATOM 221 C LYS A 12 17.362 23.719 4.351 1.00 0.00 C ATOM 222 O LYS A 12 18.353 24.376 4.673 1.00 0.00 O ATOM 223 CB LYS A 12 15.211 24.887 3.685 1.00 0.00 C ATOM 224 CG LYS A 12 14.365 25.505 2.561 1.00 0.00 C ATOM 225 CD LYS A 12 15.062 26.679 1.861 1.00 0.00 C ATOM 226 CE LYS A 12 14.125 27.299 0.817 1.00 0.00 C ATOM 227 NZ LYS A 12 14.770 28.421 0.115 1.00 0.00 N ATOM 0 H LYS A 12 15.124 22.803 2.328 1.00 0.00 H new ATOM 0 HA LYS A 12 17.033 24.879 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.597 24.180 4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.505 25.673 4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.133 24.736 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.416 25.847 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.350 27.431 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.978 26.335 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.828 26.538 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.215 27.648 1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.110 28.818 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.031 29.157 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.625 28.082 -0.370 1.00 0.00 H new ATOM 241 N TYR A 13 17.029 22.591 4.983 1.00 0.00 N ATOM 242 CA TYR A 13 17.811 22.098 6.113 1.00 0.00 C ATOM 243 C TYR A 13 19.177 21.637 5.611 1.00 0.00 C ATOM 244 O TYR A 13 20.206 21.931 6.212 1.00 0.00 O ATOM 245 CB TYR A 13 17.092 20.925 6.785 1.00 0.00 C ATOM 246 CG TYR A 13 15.873 21.238 7.629 1.00 0.00 C ATOM 247 CD1 TYR A 13 15.138 22.429 7.449 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.400 20.265 8.530 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.905 22.602 8.095 1.00 0.00 C ATOM 250 CE2 TYR A 13 14.156 20.434 9.146 1.00 0.00 C ATOM 251 CZ TYR A 13 13.394 21.590 8.919 1.00 0.00 C ATOM 252 OH TYR A 13 12.160 21.748 9.473 1.00 0.00 O ATOM 0 H TYR A 13 16.230 22.008 4.733 1.00 0.00 H new ATOM 0 HA TYR A 13 17.932 22.900 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.790 20.225 6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.813 20.406 7.417 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.526 23.210 6.812 1.00 0.00 H new ATOM 0 HD2 TYR A 13 15.996 19.391 8.745 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.348 23.517 7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 13 13.777 19.666 9.804 1.00 0.00 H new ATOM 0 HH TYR A 13 11.728 20.873 9.565 1.00 0.00 H new ATOM 262 N ALA A 14 19.185 20.917 4.496 1.00 0.00 N ATOM 263 CA ALA A 14 20.396 20.433 3.868 1.00 0.00 C ATOM 264 C ALA A 14 21.314 21.621 3.542 1.00 0.00 C ATOM 265 O ALA A 14 22.498 21.632 3.882 1.00 0.00 O ATOM 266 CB ALA A 14 19.967 19.611 2.650 1.00 0.00 C ATOM 0 H ALA A 14 18.334 20.652 3.999 1.00 0.00 H new ATOM 0 HA ALA A 14 20.985 19.786 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.851 19.224 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.341 18.779 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.403 20.244 1.965 1.00 0.00 H new ATOM 272 N ALA A 15 20.753 22.654 2.907 1.00 0.00 N ATOM 273 CA ALA A 15 21.458 23.880 2.562 1.00 0.00 C ATOM 274 C ALA A 15 22.075 24.516 3.809 1.00 0.00 C ATOM 275 O ALA A 15 23.180 25.045 3.736 1.00 0.00 O ATOM 276 CB ALA A 15 20.511 24.856 1.857 1.00 0.00 C ATOM 0 H ALA A 15 19.776 22.656 2.615 1.00 0.00 H new ATOM 0 HA ALA A 15 22.269 23.636 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 15 21.051 25.769 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 15 20.128 24.397 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.679 25.098 2.519 1.00 0.00 H new ATOM 282 N LYS A 16 21.376 24.457 4.952 1.00 0.00 N ATOM 283 CA LYS A 16 21.890 24.981 6.214 1.00 0.00 C ATOM 284 C LYS A 16 23.262 24.363 6.521 1.00 0.00 C ATOM 285 O LYS A 16 24.146 25.048 7.029 1.00 0.00 O ATOM 286 CB LYS A 16 20.900 24.705 7.355 1.00 0.00 C ATOM 287 CG LYS A 16 21.142 25.618 8.565 1.00 0.00 C ATOM 288 CD LYS A 16 20.422 25.107 9.822 1.00 0.00 C ATOM 289 CE LYS A 16 18.920 24.864 9.624 1.00 0.00 C ATOM 290 NZ LYS A 16 18.228 26.066 9.126 1.00 0.00 N ATOM 0 H LYS A 16 20.445 24.046 5.022 1.00 0.00 H new ATOM 0 HA LYS A 16 22.009 26.061 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.882 24.847 6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 16 20.986 23.663 7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.212 25.684 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.797 26.626 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.891 24.177 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.560 25.829 10.627 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.775 24.044 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.475 24.555 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.204 25.886 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.415 26.864 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.576 26.297 8.174 1.00 0.00 H new ATOM 304 N GLU A 17 23.438 23.073 6.209 1.00 0.00 N ATOM 305 CA GLU A 17 24.702 22.382 6.419 1.00 0.00 C ATOM 306 C GLU A 17 25.662 22.770 5.296 1.00 0.00 C ATOM 307 O GLU A 17 26.816 23.110 5.546 1.00 0.00 O ATOM 308 CB GLU A 17 24.495 20.863 6.446 1.00 0.00 C ATOM 309 CG GLU A 17 23.524 20.443 7.557 1.00 0.00 C ATOM 310 CD GLU A 17 23.363 18.930 7.645 1.00 0.00 C ATOM 311 OE1 GLU A 17 24.161 18.204 7.015 1.00 0.00 O ATOM 312 OE2 GLU A 17 22.435 18.503 8.364 1.00 0.00 O ATOM 0 H GLU A 17 22.707 22.487 5.806 1.00 0.00 H new ATOM 0 HA GLU A 17 25.121 22.675 7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.110 20.531 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.454 20.367 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.883 20.824 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.551 20.900 7.377 1.00 0.00 H new ATOM 319 N GLY A 18 25.178 22.712 4.054 1.00 0.00 N ATOM 320 CA GLY A 18 25.951 23.066 2.877 1.00 0.00 C ATOM 321 C GLY A 18 25.355 22.392 1.651 1.00 0.00 C ATOM 322 O GLY A 18 24.687 23.034 0.845 1.00 0.00 O ATOM 0 H GLY A 18 24.226 22.413 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.954 24.148 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.989 22.758 3.005 1.00 0.00 H new ATOM 326 N ASP A 19 25.595 21.085 1.510 1.00 0.00 N ATOM 327 CA ASP A 19 25.077 20.302 0.395 1.00 0.00 C ATOM 328 C ASP A 19 23.548 20.293 0.499 1.00 0.00 C ATOM 329 O ASP A 19 23.039 19.745 1.470 1.00 0.00 O ATOM 330 CB ASP A 19 25.646 18.875 0.476 1.00 0.00 C ATOM 331 CG ASP A 19 25.154 17.943 -0.632 1.00 0.00 C ATOM 332 OD1 ASP A 19 24.175 18.298 -1.323 1.00 0.00 O ATOM 333 OD2 ASP A 19 25.761 16.857 -0.752 1.00 0.00 O ATOM 0 H ASP A 19 26.155 20.544 2.169 1.00 0.00 H new ATOM 0 HA ASP A 19 25.372 20.731 -0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.734 18.926 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.382 18.444 1.442 1.00 0.00 H new ATOM 338 N PRO A 20 22.799 20.864 -0.459 1.00 0.00 N ATOM 339 CA PRO A 20 21.346 20.927 -0.387 1.00 0.00 C ATOM 340 C PRO A 20 20.649 19.581 -0.621 1.00 0.00 C ATOM 341 O PRO A 20 19.421 19.536 -0.588 1.00 0.00 O ATOM 342 CB PRO A 20 20.944 21.957 -1.446 1.00 0.00 C ATOM 343 CG PRO A 20 22.027 21.792 -2.509 1.00 0.00 C ATOM 344 CD PRO A 20 23.276 21.517 -1.670 1.00 0.00 C ATOM 0 HA PRO A 20 21.030 21.206 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.950 21.758 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.927 22.968 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.806 20.969 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 20 22.137 22.689 -3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 20 23.977 20.880 -2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 20 23.802 22.442 -1.435 1.00 0.00 H new ATOM 352 N ASN A 21 21.385 18.487 -0.866 1.00 0.00 N ATOM 353 CA ASN A 21 20.793 17.180 -1.135 1.00 0.00 C ATOM 354 C ASN A 21 20.802 16.216 0.056 1.00 0.00 C ATOM 355 O ASN A 21 20.344 15.085 -0.102 1.00 0.00 O ATOM 356 CB ASN A 21 21.481 16.560 -2.360 1.00 0.00 C ATOM 357 CG ASN A 21 20.786 15.281 -2.829 1.00 0.00 C ATOM 358 OD1 ASN A 21 19.599 15.291 -3.139 1.00 0.00 O ATOM 359 ND2 ASN A 21 21.514 14.169 -2.882 1.00 0.00 N ATOM 0 H ASN A 21 22.405 18.489 -0.882 1.00 0.00 H new ATOM 0 HA ASN A 21 19.735 17.349 -1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.491 17.285 -3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.520 16.338 -2.117 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.087 13.294 -3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.499 14.191 -2.618 1.00 0.00 H new ATOM 366 N GLN A 22 21.296 16.608 1.236 1.00 0.00 N ATOM 367 CA GLN A 22 21.318 15.719 2.399 1.00 0.00 C ATOM 368 C GLN A 22 21.188 16.485 3.692 1.00 0.00 C ATOM 369 O GLN A 22 21.599 17.638 3.739 1.00 0.00 O ATOM 370 CB GLN A 22 22.680 15.020 2.574 1.00 0.00 C ATOM 371 CG GLN A 22 23.629 15.080 1.368 1.00 0.00 C ATOM 372 CD GLN A 22 24.925 14.317 1.632 1.00 0.00 C ATOM 373 OE1 GLN A 22 24.951 13.375 2.420 1.00 0.00 O ATOM 374 NE2 GLN A 22 26.017 14.700 0.980 1.00 0.00 N ATOM 0 H GLN A 22 21.685 17.535 1.409 1.00 0.00 H new ATOM 0 HA GLN A 22 20.497 15.026 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.186 15.464 3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.500 13.973 2.817 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.132 14.662 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 22 23.859 16.120 1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 22 25.974 15.485 0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.899 14.209 1.129 1.00 0.00 H new ATOM 383 N LEU A 23 20.725 15.811 4.749 1.00 0.00 N ATOM 384 CA LEU A 23 20.762 16.349 6.083 1.00 0.00 C ATOM 385 C LEU A 23 21.352 15.299 7.022 1.00 0.00 C ATOM 386 O LEU A 23 21.123 14.100 6.837 1.00 0.00 O ATOM 387 CB LEU A 23 19.441 16.886 6.647 1.00 0.00 C ATOM 388 CG LEU A 23 18.152 16.587 5.894 1.00 0.00 C ATOM 389 CD1 LEU A 23 17.979 15.085 5.638 1.00 0.00 C ATOM 390 CD2 LEU A 23 16.949 17.091 6.698 1.00 0.00 C ATOM 0 H LEU A 23 20.317 14.878 4.688 1.00 0.00 H new ATOM 0 HA LEU A 23 21.388 17.238 6.014 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.331 16.497 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.532 17.969 6.730 1.00 0.00 H new ATOM 0 HG LEU A 23 18.210 17.099 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 23 17.048 14.913 5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.816 14.718 5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.950 14.555 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.030 16.874 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.923 16.591 7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.036 18.167 6.847 1.00 0.00 H new ATOM 402 N SER A 24 22.097 15.771 8.022 1.00 0.00 N ATOM 403 CA SER A 24 22.730 14.977 9.063 1.00 0.00 C ATOM 404 C SER A 24 21.661 14.567 10.082 1.00 0.00 C ATOM 405 O SER A 24 20.501 14.979 9.997 1.00 0.00 O ATOM 406 CB SER A 24 23.779 15.852 9.772 1.00 0.00 C ATOM 407 OG SER A 24 23.149 16.906 10.485 1.00 0.00 O ATOM 0 H SER A 24 22.282 16.768 8.129 1.00 0.00 H new ATOM 0 HA SER A 24 23.201 14.092 8.635 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.366 15.242 10.458 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.472 16.265 9.039 1.00 0.00 H new ATOM 0 HG SER A 24 22.807 17.571 9.851 1.00 0.00 H new ATOM 413 N LYS A 25 22.073 13.779 11.075 1.00 0.00 N ATOM 414 CA LYS A 25 21.211 13.325 12.152 1.00 0.00 C ATOM 415 C LYS A 25 20.503 14.486 12.863 1.00 0.00 C ATOM 416 O LYS A 25 19.341 14.349 13.236 1.00 0.00 O ATOM 417 CB LYS A 25 22.035 12.502 13.150 1.00 0.00 C ATOM 418 CG LYS A 25 22.610 11.242 12.488 1.00 0.00 C ATOM 419 CD LYS A 25 23.090 10.217 13.523 1.00 0.00 C ATOM 420 CE LYS A 25 24.204 10.762 14.421 1.00 0.00 C ATOM 421 NZ LYS A 25 24.712 9.718 15.327 1.00 0.00 N ATOM 0 H LYS A 25 23.031 13.436 11.150 1.00 0.00 H new ATOM 0 HA LYS A 25 20.429 12.703 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.848 13.112 13.545 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.409 12.218 13.996 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.850 10.787 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 25 23.442 11.520 11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.247 9.910 14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.448 9.326 13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.019 11.142 13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 25 23.827 11.602 15.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.466 10.114 15.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.937 9.374 15.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.092 8.928 14.768 1.00 0.00 H new ATOM 435 N GLU A 26 21.184 15.620 13.058 1.00 0.00 N ATOM 436 CA GLU A 26 20.615 16.775 13.744 1.00 0.00 C ATOM 437 C GLU A 26 19.435 17.336 12.946 1.00 0.00 C ATOM 438 O GLU A 26 18.300 17.383 13.424 1.00 0.00 O ATOM 439 CB GLU A 26 21.701 17.838 13.964 1.00 0.00 C ATOM 440 CG GLU A 26 22.803 17.326 14.900 1.00 0.00 C ATOM 441 CD GLU A 26 23.859 18.400 15.144 1.00 0.00 C ATOM 442 OE1 GLU A 26 23.626 19.229 16.050 1.00 0.00 O ATOM 443 OE2 GLU A 26 24.877 18.371 14.419 1.00 0.00 O ATOM 0 H GLU A 26 22.144 15.759 12.743 1.00 0.00 H new ATOM 0 HA GLU A 26 20.239 16.468 14.720 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.137 18.119 13.005 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.252 18.737 14.386 1.00 0.00 H new ATOM 0 HG2 GLU A 26 22.365 17.020 15.850 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.272 16.443 14.466 1.00 0.00 H new ATOM 450 N GLU A 27 19.705 17.756 11.709 1.00 0.00 N ATOM 451 CA GLU A 27 18.676 18.292 10.833 1.00 0.00 C ATOM 452 C GLU A 27 17.542 17.279 10.684 1.00 0.00 C ATOM 453 O GLU A 27 16.375 17.666 10.716 1.00 0.00 O ATOM 454 CB GLU A 27 19.286 18.711 9.495 1.00 0.00 C ATOM 455 CG GLU A 27 19.781 20.167 9.516 1.00 0.00 C ATOM 456 CD GLU A 27 20.662 20.495 10.718 1.00 0.00 C ATOM 457 OE1 GLU A 27 21.699 19.815 10.870 1.00 0.00 O ATOM 458 OE2 GLU A 27 20.265 21.414 11.470 1.00 0.00 O ATOM 0 H GLU A 27 20.636 17.733 11.294 1.00 0.00 H new ATOM 0 HA GLU A 27 18.243 19.191 11.272 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.118 18.049 9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.544 18.592 8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.340 20.365 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 27 18.920 20.835 9.514 1.00 0.00 H new ATOM 465 N LEU A 28 17.857 15.989 10.537 1.00 0.00 N ATOM 466 CA LEU A 28 16.808 14.991 10.466 1.00 0.00 C ATOM 467 C LEU A 28 15.979 14.966 11.742 1.00 0.00 C ATOM 468 O LEU A 28 14.760 15.058 11.657 1.00 0.00 O ATOM 469 CB LEU A 28 17.368 13.604 10.159 1.00 0.00 C ATOM 470 CG LEU A 28 17.003 13.254 8.724 1.00 0.00 C ATOM 471 CD1 LEU A 28 17.836 12.060 8.288 1.00 0.00 C ATOM 472 CD2 LEU A 28 15.517 12.904 8.581 1.00 0.00 C ATOM 0 H LEU A 28 18.808 15.626 10.467 1.00 0.00 H new ATOM 0 HA LEU A 28 16.153 15.275 9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.450 13.593 10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.956 12.866 10.847 1.00 0.00 H new ATOM 0 HG LEU A 28 17.204 14.124 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.585 11.797 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 28 18.894 12.313 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.627 11.212 8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.299 12.661 7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.283 12.046 9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.911 13.756 8.889 1.00 0.00 H new ATOM 484 N LYS A 29 16.609 14.849 12.916 1.00 0.00 N ATOM 485 CA LYS A 29 15.915 14.839 14.201 1.00 0.00 C ATOM 486 C LYS A 29 14.918 15.991 14.213 1.00 0.00 C ATOM 487 O LYS A 29 13.732 15.789 14.479 1.00 0.00 O ATOM 488 CB LYS A 29 16.944 14.982 15.342 1.00 0.00 C ATOM 489 CG LYS A 29 16.381 15.374 16.717 1.00 0.00 C ATOM 490 CD LYS A 29 15.649 14.211 17.396 1.00 0.00 C ATOM 491 CE LYS A 29 15.340 14.589 18.852 1.00 0.00 C ATOM 492 NZ LYS A 29 14.524 13.565 19.528 1.00 0.00 N ATOM 0 H LYS A 29 17.622 14.758 12.998 1.00 0.00 H new ATOM 0 HA LYS A 29 15.380 13.900 14.346 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.474 14.035 15.446 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.681 15.729 15.048 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.195 15.712 17.358 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.696 16.214 16.601 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.726 13.986 16.862 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.263 13.311 17.364 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.274 14.726 19.397 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.815 15.544 18.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.644 13.649 20.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.522 13.702 19.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.829 12.619 19.220 1.00 0.00 H new ATOM 506 N GLN A 30 15.421 17.191 13.904 1.00 0.00 N ATOM 507 CA GLN A 30 14.607 18.388 13.847 1.00 0.00 C ATOM 508 C GLN A 30 13.419 18.128 12.906 1.00 0.00 C ATOM 509 O GLN A 30 12.272 18.232 13.338 1.00 0.00 O ATOM 510 CB GLN A 30 15.473 19.583 13.409 1.00 0.00 C ATOM 511 CG GLN A 30 16.536 19.943 14.464 1.00 0.00 C ATOM 512 CD GLN A 30 17.841 20.468 13.863 1.00 0.00 C ATOM 513 OE1 GLN A 30 18.923 20.145 14.342 1.00 0.00 O ATOM 514 NE2 GLN A 30 17.771 21.283 12.813 1.00 0.00 N ATOM 0 H GLN A 30 16.405 17.349 13.688 1.00 0.00 H new ATOM 0 HA GLN A 30 14.204 18.639 14.828 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.964 19.348 12.465 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.834 20.447 13.229 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.127 20.696 15.138 1.00 0.00 H new ATOM 0 HG3 GLN A 30 16.752 19.060 15.066 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.863 21.541 12.427 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.626 21.649 12.394 1.00 0.00 H new ATOM 523 N LEU A 31 13.687 17.772 11.640 1.00 0.00 N ATOM 524 CA LEU A 31 12.660 17.443 10.653 1.00 0.00 C ATOM 525 C LEU A 31 11.563 16.535 11.199 1.00 0.00 C ATOM 526 O LEU A 31 10.384 16.881 11.206 1.00 0.00 O ATOM 527 CB LEU A 31 13.309 16.853 9.384 1.00 0.00 C ATOM 528 CG LEU A 31 12.350 16.791 8.183 1.00 0.00 C ATOM 529 CD1 LEU A 31 12.196 18.156 7.506 1.00 0.00 C ATOM 530 CD2 LEU A 31 12.880 15.787 7.154 1.00 0.00 C ATOM 0 H LEU A 31 14.637 17.705 11.274 1.00 0.00 H new ATOM 0 HA LEU A 31 12.160 18.376 10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.178 17.454 9.116 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.671 15.849 9.603 1.00 0.00 H new ATOM 0 HG LEU A 31 11.374 16.481 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.511 18.069 6.663 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.800 18.875 8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.168 18.497 7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.200 15.744 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.867 16.101 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.951 14.800 7.612 1.00 0.00 H new ATOM 542 N ILE A 32 11.982 15.360 11.644 1.00 0.00 N ATOM 543 CA ILE A 32 11.106 14.316 12.154 1.00 0.00 C ATOM 544 C ILE A 32 10.193 14.853 13.239 1.00 0.00 C ATOM 545 O ILE A 32 8.971 14.883 13.108 1.00 0.00 O ATOM 546 CB ILE A 32 11.873 13.058 12.629 1.00 0.00 C ATOM 547 CG1 ILE A 32 12.781 12.417 11.563 1.00 0.00 C ATOM 548 CG2 ILE A 32 10.886 11.991 13.132 1.00 0.00 C ATOM 549 CD1 ILE A 32 12.160 12.345 10.166 1.00 0.00 C ATOM 0 H ILE A 32 12.968 15.099 11.661 1.00 0.00 H new ATOM 0 HA ILE A 32 10.488 13.993 11.316 1.00 0.00 H new ATOM 0 HB ILE A 32 12.524 13.412 13.428 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.710 12.984 11.506 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.042 11.409 11.884 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.438 11.112 13.463 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.310 12.393 13.966 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.209 11.712 12.324 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.866 11.880 9.478 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.246 11.752 10.204 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.925 13.352 9.820 1.00 0.00 H new ATOM 561 N GLN A 33 10.829 15.261 14.321 1.00 0.00 N ATOM 562 CA GLN A 33 10.165 15.726 15.525 1.00 0.00 C ATOM 563 C GLN A 33 9.231 16.905 15.253 1.00 0.00 C ATOM 564 O GLN A 33 8.108 16.920 15.747 1.00 0.00 O ATOM 565 CB GLN A 33 11.206 16.076 16.593 1.00 0.00 C ATOM 566 CG GLN A 33 12.093 14.886 16.989 1.00 0.00 C ATOM 567 CD GLN A 33 11.394 13.833 17.843 1.00 0.00 C ATOM 568 OE1 GLN A 33 11.612 13.770 19.047 1.00 0.00 O ATOM 569 NE2 GLN A 33 10.571 12.982 17.238 1.00 0.00 N ATOM 0 H GLN A 33 11.847 15.279 14.389 1.00 0.00 H new ATOM 0 HA GLN A 33 9.537 14.915 15.895 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.838 16.884 16.224 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.695 16.450 17.480 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.467 14.410 16.082 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.960 15.260 17.534 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.407 13.057 16.234 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.103 12.254 17.778 1.00 0.00 H new ATOM 578 N ALA A 34 9.696 17.894 14.488 1.00 0.00 N ATOM 579 CA ALA A 34 8.917 19.090 14.216 1.00 0.00 C ATOM 580 C ALA A 34 7.783 18.872 13.210 1.00 0.00 C ATOM 581 O ALA A 34 6.651 19.268 13.478 1.00 0.00 O ATOM 582 CB ALA A 34 9.853 20.211 13.756 1.00 0.00 C ATOM 0 H ALA A 34 10.615 17.884 14.046 1.00 0.00 H new ATOM 0 HA ALA A 34 8.425 19.372 15.147 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.271 21.110 13.551 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.582 20.421 14.539 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.374 19.901 12.850 1.00 0.00 H new ATOM 588 N GLU A 35 8.071 18.275 12.048 1.00 0.00 N ATOM 589 CA GLU A 35 7.080 18.128 10.986 1.00 0.00 C ATOM 590 C GLU A 35 6.241 16.849 11.053 1.00 0.00 C ATOM 591 O GLU A 35 5.079 16.887 10.650 1.00 0.00 O ATOM 592 CB GLU A 35 7.752 18.247 9.609 1.00 0.00 C ATOM 593 CG GLU A 35 8.125 19.687 9.223 1.00 0.00 C ATOM 594 CD GLU A 35 9.123 20.339 10.173 1.00 0.00 C ATOM 595 OE1 GLU A 35 10.306 19.936 10.123 1.00 0.00 O ATOM 596 OE2 GLU A 35 8.691 21.237 10.927 1.00 0.00 O ATOM 0 H GLU A 35 8.987 17.886 11.823 1.00 0.00 H new ATOM 0 HA GLU A 35 6.374 18.944 11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.653 17.634 9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.082 17.840 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.543 19.687 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.219 20.292 9.192 1.00 0.00 H new ATOM 603 N PHE A 36 6.783 15.716 11.511 1.00 0.00 N ATOM 604 CA PHE A 36 6.020 14.467 11.486 1.00 0.00 C ATOM 605 C PHE A 36 6.598 13.402 12.426 1.00 0.00 C ATOM 606 O PHE A 36 7.215 12.439 11.961 1.00 0.00 O ATOM 607 CB PHE A 36 5.875 13.967 10.032 1.00 0.00 C ATOM 608 CG PHE A 36 6.948 14.426 9.057 1.00 0.00 C ATOM 609 CD1 PHE A 36 8.296 14.080 9.264 1.00 0.00 C ATOM 610 CD2 PHE A 36 6.605 15.280 7.990 1.00 0.00 C ATOM 611 CE1 PHE A 36 9.287 14.550 8.386 1.00 0.00 C ATOM 612 CE2 PHE A 36 7.603 15.780 7.136 1.00 0.00 C ATOM 613 CZ PHE A 36 8.943 15.403 7.325 1.00 0.00 C ATOM 0 H PHE A 36 7.725 15.638 11.895 1.00 0.00 H new ATOM 0 HA PHE A 36 5.022 14.672 11.873 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.865 12.877 10.043 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.906 14.291 9.653 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.569 13.452 10.099 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.572 15.551 7.828 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.316 14.254 8.528 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.340 16.454 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.707 15.769 6.655 1.00 0.00 H new ATOM 753 N THR A 45 12.181 3.513 16.247 1.00 0.00 N ATOM 754 CA THR A 45 13.346 3.734 15.435 1.00 0.00 C ATOM 755 C THR A 45 13.994 5.007 15.909 1.00 0.00 C ATOM 756 O THR A 45 15.117 4.994 16.407 1.00 0.00 O ATOM 757 CB THR A 45 12.977 3.790 13.943 1.00 0.00 C ATOM 758 OG1 THR A 45 13.028 2.473 13.441 1.00 0.00 O ATOM 759 CG2 THR A 45 13.898 4.730 13.140 1.00 0.00 C ATOM 0 HA THR A 45 14.049 2.908 15.537 1.00 0.00 H new ATOM 0 HB THR A 45 11.974 4.204 13.836 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.795 2.476 12.489 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.593 4.732 12.094 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.825 5.741 13.541 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.928 4.383 13.217 1.00 0.00 H new ATOM 767 N LEU A 46 13.231 6.074 15.692 1.00 0.00 N ATOM 768 CA LEU A 46 13.532 7.489 15.835 1.00 0.00 C ATOM 769 C LEU A 46 14.829 7.832 15.101 1.00 0.00 C ATOM 770 O LEU A 46 14.793 8.590 14.137 1.00 0.00 O ATOM 771 CB LEU A 46 13.498 7.946 17.297 1.00 0.00 C ATOM 772 CG LEU A 46 13.735 9.461 17.452 1.00 0.00 C ATOM 773 CD1 LEU A 46 12.710 10.323 16.705 1.00 0.00 C ATOM 774 CD2 LEU A 46 13.680 9.806 18.944 1.00 0.00 C ATOM 0 H LEU A 46 12.271 5.947 15.373 1.00 0.00 H new ATOM 0 HA LEU A 46 12.741 8.065 15.355 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.533 7.687 17.732 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.257 7.404 17.861 1.00 0.00 H new ATOM 0 HG LEU A 46 14.708 9.683 17.014 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.940 11.377 16.860 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.750 10.095 15.640 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.710 10.110 17.084 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.846 10.875 19.077 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.702 9.538 19.344 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.453 9.251 19.475 1.00 0.00 H new ATOM 786 N ASP A 47 15.952 7.263 15.541 1.00 0.00 N ATOM 787 CA ASP A 47 17.273 7.452 14.981 1.00 0.00 C ATOM 788 C ASP A 47 17.906 6.191 14.378 1.00 0.00 C ATOM 789 O ASP A 47 18.886 6.324 13.660 1.00 0.00 O ATOM 790 CB ASP A 47 18.164 8.003 16.099 1.00 0.00 C ATOM 791 CG ASP A 47 19.613 8.233 15.672 1.00 0.00 C ATOM 792 OD1 ASP A 47 19.848 9.227 14.954 1.00 0.00 O ATOM 793 OD2 ASP A 47 20.465 7.419 16.089 1.00 0.00 O ATOM 0 H ASP A 47 15.955 6.627 16.339 1.00 0.00 H new ATOM 0 HA ASP A 47 17.179 8.140 14.141 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.745 8.945 16.455 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.148 7.309 16.940 1.00 0.00 H new ATOM 798 N ASP A 48 17.403 4.982 14.629 1.00 0.00 N ATOM 799 CA ASP A 48 18.023 3.758 14.107 1.00 0.00 C ATOM 800 C ASP A 48 18.217 3.743 12.577 1.00 0.00 C ATOM 801 O ASP A 48 19.325 3.936 12.076 1.00 0.00 O ATOM 802 CB ASP A 48 17.238 2.534 14.601 1.00 0.00 C ATOM 803 CG ASP A 48 17.822 1.228 14.070 1.00 0.00 C ATOM 804 OD1 ASP A 48 19.059 1.073 14.169 1.00 0.00 O ATOM 805 OD2 ASP A 48 17.016 0.409 13.579 1.00 0.00 O ATOM 0 H ASP A 48 16.567 4.821 15.191 1.00 0.00 H new ATOM 0 HA ASP A 48 19.038 3.724 14.503 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.242 2.516 15.691 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.198 2.620 14.288 1.00 0.00 H new ATOM 810 N LEU A 49 17.136 3.508 11.828 1.00 0.00 N ATOM 811 CA LEU A 49 17.180 3.429 10.354 1.00 0.00 C ATOM 812 C LEU A 49 17.791 4.717 9.825 1.00 0.00 C ATOM 813 O LEU A 49 18.707 4.737 9.010 1.00 0.00 O ATOM 814 CB LEU A 49 15.788 3.253 9.720 1.00 0.00 C ATOM 815 CG LEU A 49 14.878 2.291 10.479 1.00 0.00 C ATOM 816 CD1 LEU A 49 13.493 2.252 9.826 1.00 0.00 C ATOM 817 CD2 LEU A 49 15.461 0.876 10.546 1.00 0.00 C ATOM 0 H LEU A 49 16.205 3.367 12.219 1.00 0.00 H new ATOM 0 HA LEU A 49 17.772 2.553 10.088 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.301 4.227 9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.908 2.893 8.698 1.00 0.00 H new ATOM 0 HG LEU A 49 14.794 2.661 11.501 1.00 0.00 H new ATOM 0 HD11 LEU A 49 12.851 1.563 10.375 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.054 3.249 9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.587 1.916 8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.779 0.227 11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.595 0.489 9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.425 0.903 11.055 1.00 0.00 H new ATOM 829 N PHE A 50 17.233 5.797 10.357 1.00 0.00 N ATOM 830 CA PHE A 50 17.630 7.181 10.139 1.00 0.00 C ATOM 831 C PHE A 50 19.168 7.293 10.131 1.00 0.00 C ATOM 832 O PHE A 50 19.750 7.848 9.202 1.00 0.00 O ATOM 833 CB PHE A 50 16.951 7.946 11.281 1.00 0.00 C ATOM 834 CG PHE A 50 17.190 9.425 11.505 1.00 0.00 C ATOM 835 CD1 PHE A 50 18.447 9.844 11.985 1.00 0.00 C ATOM 836 CD2 PHE A 50 16.056 10.213 11.794 1.00 0.00 C ATOM 837 CE1 PHE A 50 18.546 10.965 12.823 1.00 0.00 C ATOM 838 CE2 PHE A 50 16.147 11.283 12.698 1.00 0.00 C ATOM 839 CZ PHE A 50 17.395 11.655 13.217 1.00 0.00 C ATOM 0 H PHE A 50 16.439 5.724 10.994 1.00 0.00 H new ATOM 0 HA PHE A 50 17.325 7.591 9.176 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.876 7.816 11.152 1.00 0.00 H new ATOM 0 HB3 PHE A 50 17.224 7.439 12.206 1.00 0.00 H new ATOM 0 HD1 PHE A 50 19.338 9.300 11.707 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.113 9.992 11.317 1.00 0.00 H new ATOM 0 HE1 PHE A 50 19.515 11.296 13.165 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.257 11.819 12.993 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.467 12.472 13.919 1.00 0.00 H new ATOM 849 N GLN A 51 19.838 6.755 11.159 1.00 0.00 N ATOM 850 CA GLN A 51 21.288 6.779 11.285 1.00 0.00 C ATOM 851 C GLN A 51 21.916 5.881 10.231 1.00 0.00 C ATOM 852 O GLN A 51 22.889 6.287 9.598 1.00 0.00 O ATOM 853 CB GLN A 51 21.726 6.386 12.705 1.00 0.00 C ATOM 854 CG GLN A 51 23.250 6.431 12.914 1.00 0.00 C ATOM 855 CD GLN A 51 23.949 5.092 12.681 1.00 0.00 C ATOM 856 OE1 GLN A 51 24.105 4.303 13.606 1.00 0.00 O ATOM 857 NE2 GLN A 51 24.387 4.817 11.455 1.00 0.00 N ATOM 0 H GLN A 51 19.373 6.285 11.936 1.00 0.00 H new ATOM 0 HA GLN A 51 21.640 7.797 11.115 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.249 7.055 13.421 1.00 0.00 H new ATOM 0 HB3 GLN A 51 21.367 5.380 12.921 1.00 0.00 H new ATOM 0 HG2 GLN A 51 23.677 7.174 12.241 1.00 0.00 H new ATOM 0 HG3 GLN A 51 23.457 6.765 13.930 1.00 0.00 H new ATOM 0 HE21 GLN A 51 24.246 5.489 10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 51 24.864 3.934 11.270 1.00 0.00 H new ATOM 866 N GLU A 52 21.392 4.670 10.031 1.00 0.00 N ATOM 867 CA GLU A 52 21.935 3.767 9.019 1.00 0.00 C ATOM 868 C GLU A 52 21.959 4.467 7.651 1.00 0.00 C ATOM 869 O GLU A 52 22.896 4.305 6.875 1.00 0.00 O ATOM 870 CB GLU A 52 21.133 2.459 8.974 1.00 0.00 C ATOM 871 CG GLU A 52 21.261 1.670 10.284 1.00 0.00 C ATOM 872 CD GLU A 52 20.358 0.441 10.278 1.00 0.00 C ATOM 873 OE1 GLU A 52 20.797 -0.582 9.710 1.00 0.00 O ATOM 874 OE2 GLU A 52 19.239 0.553 10.825 1.00 0.00 O ATOM 0 H GLU A 52 20.599 4.296 10.552 1.00 0.00 H new ATOM 0 HA GLU A 52 22.960 3.509 9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.083 2.682 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.483 1.846 8.144 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.297 1.363 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 52 21.000 2.312 11.125 1.00 0.00 H new ATOM 881 N LEU A 53 20.922 5.258 7.366 1.00 0.00 N ATOM 882 CA LEU A 53 20.788 6.019 6.133 1.00 0.00 C ATOM 883 C LEU A 53 21.725 7.239 6.076 1.00 0.00 C ATOM 884 O LEU A 53 21.956 7.761 4.986 1.00 0.00 O ATOM 885 CB LEU A 53 19.317 6.423 5.953 1.00 0.00 C ATOM 886 CG LEU A 53 18.371 5.222 5.755 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.922 5.686 5.931 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.519 4.572 4.374 1.00 0.00 C ATOM 0 H LEU A 53 20.137 5.386 8.004 1.00 0.00 H new ATOM 0 HA LEU A 53 21.095 5.382 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.994 6.990 6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.233 7.087 5.093 1.00 0.00 H new ATOM 0 HG LEU A 53 18.639 4.474 6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.249 4.840 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.790 6.094 6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.694 6.456 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.829 3.732 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.292 5.306 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.541 4.215 4.247 1.00 0.00 H new ATOM 900 N ASP A 54 22.277 7.707 7.208 1.00 0.00 N ATOM 901 CA ASP A 54 23.201 8.851 7.328 1.00 0.00 C ATOM 902 C ASP A 54 24.591 8.366 6.875 1.00 0.00 C ATOM 903 O ASP A 54 25.555 8.499 7.627 1.00 0.00 O ATOM 904 CB ASP A 54 23.194 9.285 8.805 1.00 0.00 C ATOM 905 CG ASP A 54 23.765 10.679 9.022 1.00 0.00 C ATOM 906 OD1 ASP A 54 22.997 11.636 8.791 1.00 0.00 O ATOM 907 OD2 ASP A 54 24.935 10.777 9.452 1.00 0.00 O ATOM 0 H ASP A 54 22.082 7.276 8.112 1.00 0.00 H new ATOM 0 HA ASP A 54 22.915 9.703 6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 54 22.171 9.256 9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 54 23.770 8.568 9.391 1.00 0.00 H new ATOM 974 N GLU A 60 25.570 12.177 4.784 1.00 0.00 N ATOM 975 CA GLU A 60 24.377 12.113 5.595 1.00 0.00 C ATOM 976 C GLU A 60 23.241 11.441 4.822 1.00 0.00 C ATOM 977 O GLU A 60 23.478 10.713 3.859 1.00 0.00 O ATOM 978 CB GLU A 60 23.967 13.507 6.008 1.00 0.00 C ATOM 979 CG GLU A 60 25.105 14.410 6.517 1.00 0.00 C ATOM 980 CD GLU A 60 25.948 15.018 5.398 1.00 0.00 C ATOM 981 OE1 GLU A 60 25.380 15.832 4.639 1.00 0.00 O ATOM 982 OE2 GLU A 60 27.138 14.650 5.306 1.00 0.00 O ATOM 0 HA GLU A 60 24.588 11.521 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 60 23.493 13.995 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 60 23.212 13.428 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 60 24.679 15.214 7.118 1.00 0.00 H new ATOM 0 HG3 GLU A 60 25.752 13.829 7.174 1.00 0.00 H new ATOM 989 N VAL A 61 21.992 11.695 5.226 1.00 0.00 N ATOM 990 CA VAL A 61 20.839 11.102 4.580 1.00 0.00 C ATOM 991 C VAL A 61 20.564 11.849 3.281 1.00 0.00 C ATOM 992 O VAL A 61 19.663 12.683 3.193 1.00 0.00 O ATOM 993 CB VAL A 61 19.641 11.060 5.542 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.476 10.303 4.896 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.021 10.321 6.829 1.00 0.00 C ATOM 0 H VAL A 61 21.763 12.313 6.004 1.00 0.00 H new ATOM 0 HA VAL A 61 21.034 10.062 4.319 1.00 0.00 H new ATOM 0 HB VAL A 61 19.352 12.087 5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.632 10.278 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.179 10.808 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 61 18.787 9.284 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.164 10.298 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.320 9.301 6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.849 10.837 7.314 1.00 0.00 H new ATOM 1005 N SER A 62 21.366 11.529 2.265 1.00 0.00 N ATOM 1006 CA SER A 62 21.200 12.069 0.928 1.00 0.00 C ATOM 1007 C SER A 62 19.797 11.693 0.451 1.00 0.00 C ATOM 1008 O SER A 62 19.311 10.620 0.812 1.00 0.00 O ATOM 1009 CB SER A 62 22.276 11.485 0.016 1.00 0.00 C ATOM 1010 OG SER A 62 23.549 11.972 0.389 1.00 0.00 O ATOM 0 H SER A 62 22.151 10.884 2.354 1.00 0.00 H new ATOM 0 HA SER A 62 21.307 13.154 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.263 10.397 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 62 22.067 11.749 -1.021 1.00 0.00 H new ATOM 0 HG SER A 62 24.231 11.590 -0.201 1.00 0.00 H new ATOM 1016 N PHE A 63 19.139 12.557 -0.330 1.00 0.00 N ATOM 1017 CA PHE A 63 17.772 12.339 -0.805 1.00 0.00 C ATOM 1018 C PHE A 63 17.502 10.884 -1.210 1.00 0.00 C ATOM 1019 O PHE A 63 16.512 10.286 -0.792 1.00 0.00 O ATOM 1020 CB PHE A 63 17.405 13.320 -1.921 1.00 0.00 C ATOM 1021 CG PHE A 63 15.920 13.303 -2.222 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.026 13.958 -1.352 1.00 0.00 C ATOM 1023 CD2 PHE A 63 15.417 12.482 -3.249 1.00 0.00 C ATOM 1024 CE1 PHE A 63 13.639 13.800 -1.514 1.00 0.00 C ATOM 1025 CE2 PHE A 63 14.030 12.321 -3.408 1.00 0.00 C ATOM 1026 CZ PHE A 63 13.141 12.982 -2.543 1.00 0.00 C ATOM 0 H PHE A 63 19.546 13.435 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 63 17.116 12.540 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 63 17.705 14.327 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 63 17.961 13.068 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 63 15.408 14.583 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 63 16.098 11.975 -3.916 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.956 14.307 -0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.647 11.689 -4.195 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.075 12.861 -2.669 1.00 0.00 H new ATOM 1036 N GLU A 64 18.406 10.316 -2.010 1.00 0.00 N ATOM 1037 CA GLU A 64 18.345 8.936 -2.469 1.00 0.00 C ATOM 1038 C GLU A 64 18.007 7.987 -1.309 1.00 0.00 C ATOM 1039 O GLU A 64 17.104 7.157 -1.427 1.00 0.00 O ATOM 1040 CB GLU A 64 19.669 8.524 -3.135 1.00 0.00 C ATOM 1041 CG GLU A 64 20.138 9.472 -4.251 1.00 0.00 C ATOM 1042 CD GLU A 64 21.012 10.608 -3.722 1.00 0.00 C ATOM 1043 OE1 GLU A 64 20.429 11.650 -3.351 1.00 0.00 O ATOM 1044 OE2 GLU A 64 22.243 10.408 -3.662 1.00 0.00 O ATOM 0 H GLU A 64 19.220 10.820 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 64 17.550 8.863 -3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.445 8.469 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.558 7.522 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.696 8.904 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.268 9.892 -4.757 1.00 0.00 H new ATOM 1051 N GLU A 65 18.728 8.133 -0.192 1.00 0.00 N ATOM 1052 CA GLU A 65 18.566 7.338 1.016 1.00 0.00 C ATOM 1053 C GLU A 65 17.323 7.814 1.777 1.00 0.00 C ATOM 1054 O GLU A 65 16.540 6.990 2.247 1.00 0.00 O ATOM 1055 CB GLU A 65 19.843 7.417 1.880 1.00 0.00 C ATOM 1056 CG GLU A 65 20.963 6.510 1.349 1.00 0.00 C ATOM 1057 CD GLU A 65 21.408 6.877 -0.061 1.00 0.00 C ATOM 1058 OE1 GLU A 65 21.892 8.017 -0.221 1.00 0.00 O ATOM 1059 OE2 GLU A 65 21.237 6.024 -0.958 1.00 0.00 O ATOM 0 H GLU A 65 19.464 8.834 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 65 18.419 6.290 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 65 20.196 8.448 1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.604 7.133 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.819 6.568 2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 65 20.620 5.475 1.358 1.00 0.00 H new ATOM 1066 N PHE A 66 17.139 9.137 1.887 1.00 0.00 N ATOM 1067 CA PHE A 66 16.003 9.755 2.573 1.00 0.00 C ATOM 1068 C PHE A 66 14.694 9.071 2.204 1.00 0.00 C ATOM 1069 O PHE A 66 13.891 8.784 3.087 1.00 0.00 O ATOM 1070 CB PHE A 66 15.911 11.251 2.249 1.00 0.00 C ATOM 1071 CG PHE A 66 14.809 12.015 2.967 1.00 0.00 C ATOM 1072 CD1 PHE A 66 14.663 11.931 4.365 1.00 0.00 C ATOM 1073 CD2 PHE A 66 13.933 12.831 2.226 1.00 0.00 C ATOM 1074 CE1 PHE A 66 13.615 12.616 5.006 1.00 0.00 C ATOM 1075 CE2 PHE A 66 12.917 13.554 2.873 1.00 0.00 C ATOM 1076 CZ PHE A 66 12.743 13.429 4.261 1.00 0.00 C ATOM 0 H PHE A 66 17.789 9.817 1.493 1.00 0.00 H new ATOM 0 HA PHE A 66 16.170 9.634 3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.867 11.716 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 66 15.765 11.363 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.356 11.340 4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.043 12.902 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.480 12.517 6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.270 14.205 2.304 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.941 13.957 4.755 1.00 0.00 H new ATOM 1086 N GLN A 67 14.491 8.799 0.912 1.00 0.00 N ATOM 1087 CA GLN A 67 13.304 8.113 0.410 1.00 0.00 C ATOM 1088 C GLN A 67 12.910 6.922 1.298 1.00 0.00 C ATOM 1089 O GLN A 67 11.732 6.747 1.609 1.00 0.00 O ATOM 1090 CB GLN A 67 13.555 7.635 -1.024 1.00 0.00 C ATOM 1091 CG GLN A 67 13.668 8.812 -2.003 1.00 0.00 C ATOM 1092 CD GLN A 67 14.104 8.366 -3.393 1.00 0.00 C ATOM 1093 OE1 GLN A 67 13.451 8.681 -4.382 1.00 0.00 O ATOM 1094 NE2 GLN A 67 15.211 7.634 -3.493 1.00 0.00 N ATOM 0 H GLN A 67 15.155 9.053 0.180 1.00 0.00 H new ATOM 0 HA GLN A 67 12.476 8.822 0.426 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.471 7.046 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.743 6.979 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.705 9.319 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.383 9.537 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.736 7.386 -2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.535 7.321 -4.408 1.00 0.00 H new ATOM 1103 N VAL A 68 13.883 6.110 1.721 1.00 0.00 N ATOM 1104 CA VAL A 68 13.626 4.942 2.555 1.00 0.00 C ATOM 1105 C VAL A 68 12.999 5.384 3.879 1.00 0.00 C ATOM 1106 O VAL A 68 12.054 4.760 4.352 1.00 0.00 O ATOM 1107 CB VAL A 68 14.923 4.141 2.769 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.660 2.879 3.603 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.546 3.722 1.429 1.00 0.00 C ATOM 0 H VAL A 68 14.868 6.247 1.493 1.00 0.00 H new ATOM 0 HA VAL A 68 12.919 4.281 2.053 1.00 0.00 H new ATOM 0 HB VAL A 68 15.615 4.794 3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.593 2.332 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.261 3.163 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.940 2.245 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.460 3.158 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.841 3.100 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.780 4.611 0.843 1.00 0.00 H new ATOM 1119 N LEU A 69 13.504 6.468 4.472 1.00 0.00 N ATOM 1120 CA LEU A 69 12.963 6.987 5.719 1.00 0.00 C ATOM 1121 C LEU A 69 11.571 7.558 5.441 1.00 0.00 C ATOM 1122 O LEU A 69 10.654 7.339 6.229 1.00 0.00 O ATOM 1123 CB LEU A 69 13.912 8.024 6.335 1.00 0.00 C ATOM 1124 CG LEU A 69 13.547 8.418 7.779 1.00 0.00 C ATOM 1125 CD1 LEU A 69 13.665 7.245 8.762 1.00 0.00 C ATOM 1126 CD2 LEU A 69 14.494 9.533 8.226 1.00 0.00 C ATOM 0 H LEU A 69 14.291 7.002 4.102 1.00 0.00 H new ATOM 0 HA LEU A 69 12.870 6.188 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.927 7.627 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.911 8.919 5.713 1.00 0.00 H new ATOM 0 HG LEU A 69 12.506 8.743 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.396 7.581 9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.992 6.444 8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.691 6.876 8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.253 9.828 9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.523 9.175 8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.382 10.392 7.565 1.00 0.00 H new ATOM 1138 N VAL A 70 11.402 8.269 4.319 1.00 0.00 N ATOM 1139 CA VAL A 70 10.113 8.832 3.923 1.00 0.00 C ATOM 1140 C VAL A 70 9.049 7.729 3.937 1.00 0.00 C ATOM 1141 O VAL A 70 7.956 7.939 4.459 1.00 0.00 O ATOM 1142 CB VAL A 70 10.188 9.571 2.573 1.00 0.00 C ATOM 1143 CG1 VAL A 70 8.805 10.062 2.122 1.00 0.00 C ATOM 1144 CG2 VAL A 70 11.101 10.799 2.681 1.00 0.00 C ATOM 0 H VAL A 70 12.157 8.468 3.663 1.00 0.00 H new ATOM 0 HA VAL A 70 9.825 9.593 4.648 1.00 0.00 H new ATOM 0 HB VAL A 70 10.582 8.859 1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.896 10.579 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.135 9.210 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.401 10.747 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.142 11.308 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.707 11.480 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.104 10.483 2.967 1.00 0.00 H new ATOM 1154 N LYS A 71 9.357 6.546 3.391 1.00 0.00 N ATOM 1155 CA LYS A 71 8.417 5.426 3.397 1.00 0.00 C ATOM 1156 C LYS A 71 7.910 5.078 4.810 1.00 0.00 C ATOM 1157 O LYS A 71 6.838 4.492 4.942 1.00 0.00 O ATOM 1158 CB LYS A 71 9.029 4.182 2.734 1.00 0.00 C ATOM 1159 CG LYS A 71 9.431 4.308 1.256 1.00 0.00 C ATOM 1160 CD LYS A 71 8.343 4.839 0.305 1.00 0.00 C ATOM 1161 CE LYS A 71 8.319 6.367 0.129 1.00 0.00 C ATOM 1162 NZ LYS A 71 9.608 6.902 -0.346 1.00 0.00 N ATOM 0 H LYS A 71 10.249 6.343 2.941 1.00 0.00 H new ATOM 0 HA LYS A 71 7.555 5.752 2.814 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.913 3.895 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.314 3.364 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.297 4.967 1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.749 3.328 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.481 4.378 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.370 4.516 0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.535 6.635 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.064 6.835 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.472 7.869 -0.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.289 6.917 0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.974 6.298 -1.110 1.00 0.00 H new