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 22 GLN : amide:sc= 0.884 K(o=1.8,f=-0.3) USER MOD Set 1.2: A 62 SER OG : rot -149:sc= 0.866 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 176:sc= 0.863 (180deg=0) USER MOD Set 2.2: A 51 GLN : amide:sc= 0.93 K(o=1.8,f=-4.4!) USER MOD Set 3.1: A 16 LYS NZ :NH3+ -163:sc= 0.691 (180deg=0.502) USER MOD Set 3.2: A 30 GLN : amide:sc= 1.12 K(o=1.8,f=0.55) USER MOD Single : A 7 LYS NZ :NH3+ -123:sc= 1.34 (180deg=0.022) USER MOD Single : A 8 SER OG : rot 74:sc= 1.25 USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0214) USER MOD Single : A 13 TYR OH : rot -30:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.06 K(o=1.1,f=-0.1) USER MOD Single : A 24 SER OG : rot -88:sc= 1.03 USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.248 (180deg=-0.349) USER MOD Single : A 33 GLN : amide:sc= -0.0086 K(o=-0.0086,f=-2.6!) USER MOD Single : A 45 THR OG1 : rot 25:sc= 0.269 USER MOD Single : A 67 GLN : amide:sc= 1.02 K(o=1,f=-0.68) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0497) USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 3 4.781 15.092 -1.466 1.00 0.00 N ATOM 75 CA PRO A 3 6.152 14.737 -1.817 1.00 0.00 C ATOM 76 C PRO A 3 7.022 15.979 -2.054 1.00 0.00 C ATOM 77 O PRO A 3 8.090 16.126 -1.462 1.00 0.00 O ATOM 78 CB PRO A 3 6.042 13.863 -3.072 1.00 0.00 C ATOM 79 CG PRO A 3 4.657 13.235 -2.933 1.00 0.00 C ATOM 80 CD PRO A 3 3.833 14.343 -2.277 1.00 0.00 C ATOM 0 HA PRO A 3 6.645 14.202 -1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.128 14.454 -3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.826 13.107 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.247 12.948 -3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.683 12.335 -2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.364 14.981 -3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.032 13.929 -1.665 1.00 0.00 H new ATOM 88 N ALA A 4 6.552 16.887 -2.917 1.00 0.00 N ATOM 89 CA ALA A 4 7.264 18.118 -3.239 1.00 0.00 C ATOM 90 C ALA A 4 7.501 19.003 -2.020 1.00 0.00 C ATOM 91 O ALA A 4 8.513 19.691 -1.913 1.00 0.00 O ATOM 92 CB ALA A 4 6.531 18.876 -4.348 1.00 0.00 C ATOM 0 H ALA A 4 5.665 16.784 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 4 8.253 17.836 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.072 19.794 -4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.475 18.252 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.523 19.123 -4.015 1.00 0.00 H new ATOM 98 N GLU A 5 6.555 18.963 -1.093 1.00 0.00 N ATOM 99 CA GLU A 5 6.597 19.718 0.150 1.00 0.00 C ATOM 100 C GLU A 5 7.727 19.127 0.992 1.00 0.00 C ATOM 101 O GLU A 5 8.616 19.852 1.432 1.00 0.00 O ATOM 102 CB GLU A 5 5.231 19.648 0.846 1.00 0.00 C ATOM 103 CG GLU A 5 5.138 20.429 2.161 1.00 0.00 C ATOM 104 CD GLU A 5 3.833 20.119 2.898 1.00 0.00 C ATOM 105 OE1 GLU A 5 2.963 19.463 2.280 1.00 0.00 O ATOM 106 OE2 GLU A 5 3.742 20.523 4.077 1.00 0.00 O ATOM 0 H GLU A 5 5.716 18.390 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 5 6.797 20.776 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.471 20.025 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.993 18.603 1.043 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.987 20.177 2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.198 21.498 1.957 1.00 0.00 H new ATOM 113 N LEU A 6 7.700 17.804 1.192 1.00 0.00 N ATOM 114 CA LEU A 6 8.728 17.101 1.946 1.00 0.00 C ATOM 115 C LEU A 6 10.102 17.382 1.361 1.00 0.00 C ATOM 116 O LEU A 6 11.055 17.655 2.084 1.00 0.00 O ATOM 117 CB LEU A 6 8.440 15.596 2.024 1.00 0.00 C ATOM 118 CG LEU A 6 7.195 15.251 2.858 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.919 13.748 2.750 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.383 15.619 4.337 1.00 0.00 C ATOM 0 H LEU A 6 6.963 17.197 0.833 1.00 0.00 H new ATOM 0 HA LEU A 6 8.716 17.477 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.310 15.206 1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.306 15.090 2.452 1.00 0.00 H new ATOM 0 HG LEU A 6 6.357 15.828 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.037 13.497 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.746 13.484 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.778 13.192 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.482 15.360 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.232 15.069 4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.569 16.689 4.425 1.00 0.00 H new ATOM 132 N LYS A 7 10.180 17.326 0.039 1.00 0.00 N ATOM 133 CA LYS A 7 11.395 17.608 -0.713 1.00 0.00 C ATOM 134 C LYS A 7 11.860 19.037 -0.408 1.00 0.00 C ATOM 135 O LYS A 7 13.004 19.241 -0.007 1.00 0.00 O ATOM 136 CB LYS A 7 11.167 17.380 -2.215 1.00 0.00 C ATOM 137 CG LYS A 7 12.446 17.643 -3.026 1.00 0.00 C ATOM 138 CD LYS A 7 12.255 17.355 -4.522 1.00 0.00 C ATOM 139 CE LYS A 7 12.347 15.862 -4.866 1.00 0.00 C ATOM 140 NZ LYS A 7 13.721 15.349 -4.713 1.00 0.00 N ATOM 0 H LYS A 7 9.386 17.079 -0.552 1.00 0.00 H new ATOM 0 HA LYS A 7 12.185 16.922 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.833 16.356 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.371 18.036 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.751 18.681 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.254 17.022 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.283 17.735 -4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.010 17.899 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.674 15.298 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.012 15.704 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.039 14.934 -5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.356 16.129 -4.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.739 14.622 -3.970 1.00 0.00 H new ATOM 154 N SER A 8 10.979 20.023 -0.590 1.00 0.00 N ATOM 155 CA SER A 8 11.295 21.423 -0.342 1.00 0.00 C ATOM 156 C SER A 8 11.815 21.622 1.082 1.00 0.00 C ATOM 157 O SER A 8 12.896 22.181 1.273 1.00 0.00 O ATOM 158 CB SER A 8 10.071 22.306 -0.606 1.00 0.00 C ATOM 159 OG SER A 8 9.659 22.186 -1.953 1.00 0.00 O ATOM 0 H SER A 8 10.025 19.868 -0.915 1.00 0.00 H new ATOM 0 HA SER A 8 12.085 21.721 -1.031 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.256 22.017 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.310 23.346 -0.383 1.00 0.00 H new ATOM 0 HG SER A 8 9.224 21.318 -2.086 1.00 0.00 H new ATOM 165 N ILE A 9 11.051 21.167 2.083 1.00 0.00 N ATOM 166 CA ILE A 9 11.454 21.311 3.476 1.00 0.00 C ATOM 167 C ILE A 9 12.808 20.628 3.650 1.00 0.00 C ATOM 168 O ILE A 9 13.734 21.252 4.151 1.00 0.00 O ATOM 169 CB ILE A 9 10.388 20.777 4.456 1.00 0.00 C ATOM 170 CG1 ILE A 9 9.057 21.535 4.287 1.00 0.00 C ATOM 171 CG2 ILE A 9 10.882 20.944 5.904 1.00 0.00 C ATOM 172 CD1 ILE A 9 7.887 20.834 4.985 1.00 0.00 C ATOM 0 H ILE A 9 10.155 20.699 1.949 1.00 0.00 H new ATOM 0 HA ILE A 9 11.549 22.369 3.721 1.00 0.00 H new ATOM 0 HB ILE A 9 10.223 19.722 4.237 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.164 22.543 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.833 21.637 3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.126 20.566 6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.808 20.385 6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.062 22.000 6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.975 21.411 4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.759 19.836 4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.094 20.756 6.052 1.00 0.00 H new ATOM 184 N PHE A 10 12.929 19.366 3.223 1.00 0.00 N ATOM 185 CA PHE A 10 14.163 18.594 3.298 1.00 0.00 C ATOM 186 C PHE A 10 15.346 19.406 2.772 1.00 0.00 C ATOM 187 O PHE A 10 16.350 19.520 3.464 1.00 0.00 O ATOM 188 CB PHE A 10 14.007 17.265 2.547 1.00 0.00 C ATOM 189 CG PHE A 10 15.293 16.488 2.362 1.00 0.00 C ATOM 190 CD1 PHE A 10 15.764 15.646 3.384 1.00 0.00 C ATOM 191 CD2 PHE A 10 16.034 16.623 1.172 1.00 0.00 C ATOM 192 CE1 PHE A 10 16.967 14.938 3.219 1.00 0.00 C ATOM 193 CE2 PHE A 10 17.221 15.893 0.996 1.00 0.00 C ATOM 194 CZ PHE A 10 17.683 15.045 2.017 1.00 0.00 C ATOM 0 H PHE A 10 12.154 18.848 2.809 1.00 0.00 H new ATOM 0 HA PHE A 10 14.369 18.364 4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.295 16.640 3.086 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.576 17.466 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.200 15.543 4.299 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.689 17.288 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.340 14.312 4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.779 15.983 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.590 14.475 1.876 1.00 0.00 H new ATOM 204 N GLU A 11 15.240 19.981 1.570 1.00 0.00 N ATOM 205 CA GLU A 11 16.307 20.792 0.994 1.00 0.00 C ATOM 206 C GLU A 11 16.625 21.982 1.910 1.00 0.00 C ATOM 207 O GLU A 11 17.781 22.207 2.269 1.00 0.00 O ATOM 208 CB GLU A 11 15.910 21.263 -0.410 1.00 0.00 C ATOM 209 CG GLU A 11 15.884 20.097 -1.409 1.00 0.00 C ATOM 210 CD GLU A 11 15.301 20.526 -2.752 1.00 0.00 C ATOM 211 OE1 GLU A 11 14.114 20.918 -2.755 1.00 0.00 O ATOM 212 OE2 GLU A 11 16.045 20.448 -3.753 1.00 0.00 O ATOM 0 H GLU A 11 14.416 19.896 0.975 1.00 0.00 H new ATOM 0 HA GLU A 11 17.209 20.186 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.927 21.733 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.614 22.022 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.896 19.718 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.293 19.278 -0.999 1.00 0.00 H new ATOM 219 N LYS A 12 15.597 22.745 2.297 1.00 0.00 N ATOM 220 CA LYS A 12 15.769 23.903 3.172 1.00 0.00 C ATOM 221 C LYS A 12 16.400 23.502 4.512 1.00 0.00 C ATOM 222 O LYS A 12 17.144 24.276 5.106 1.00 0.00 O ATOM 223 CB LYS A 12 14.425 24.613 3.390 1.00 0.00 C ATOM 224 CG LYS A 12 13.844 25.234 2.110 1.00 0.00 C ATOM 225 CD LYS A 12 14.654 26.448 1.629 1.00 0.00 C ATOM 226 CE LYS A 12 13.944 27.176 0.479 1.00 0.00 C ATOM 227 NZ LYS A 12 13.787 26.314 -0.706 1.00 0.00 N ATOM 0 H LYS A 12 14.632 22.577 2.014 1.00 0.00 H new ATOM 0 HA LYS A 12 16.452 24.597 2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.708 23.899 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.554 25.396 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.820 24.481 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.813 25.537 2.292 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.806 27.138 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.641 26.122 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.963 27.514 0.814 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.512 28.066 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.365 26.863 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.718 25.957 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.167 25.512 -0.472 1.00 0.00 H new ATOM 241 N TYR A 13 16.112 22.292 4.987 1.00 0.00 N ATOM 242 CA TYR A 13 16.644 21.768 6.234 1.00 0.00 C ATOM 243 C TYR A 13 18.115 21.412 6.026 1.00 0.00 C ATOM 244 O TYR A 13 18.995 21.868 6.753 1.00 0.00 O ATOM 245 CB TYR A 13 15.810 20.546 6.657 1.00 0.00 C ATOM 246 CG TYR A 13 15.304 20.642 8.069 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.180 21.436 8.352 1.00 0.00 C ATOM 248 CD2 TYR A 13 16.020 20.044 9.116 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.786 21.643 9.683 1.00 0.00 C ATOM 250 CE2 TYR A 13 15.724 20.384 10.435 1.00 0.00 C ATOM 251 CZ TYR A 13 14.586 21.156 10.732 1.00 0.00 C ATOM 252 OH TYR A 13 14.186 21.327 12.023 1.00 0.00 O ATOM 0 H TYR A 13 15.492 21.641 4.505 1.00 0.00 H new ATOM 0 HA TYR A 13 16.583 22.508 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.963 20.439 5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 13 16.416 19.646 6.554 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.620 21.887 7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.796 19.324 8.902 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.871 22.175 9.901 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.372 20.053 11.233 1.00 0.00 H new ATOM 0 HH TYR A 13 13.657 22.149 12.095 1.00 0.00 H new ATOM 262 N ALA A 14 18.378 20.597 5.005 1.00 0.00 N ATOM 263 CA ALA A 14 19.701 20.154 4.605 1.00 0.00 C ATOM 264 C ALA A 14 20.618 21.357 4.403 1.00 0.00 C ATOM 265 O ALA A 14 21.808 21.262 4.676 1.00 0.00 O ATOM 266 CB ALA A 14 19.580 19.338 3.323 1.00 0.00 C ATOM 0 H ALA A 14 17.640 20.215 4.413 1.00 0.00 H new ATOM 0 HA ALA A 14 20.137 19.530 5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.568 18.999 3.013 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.940 18.474 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.145 19.956 2.538 1.00 0.00 H new ATOM 272 N ALA A 15 20.073 22.493 3.941 1.00 0.00 N ATOM 273 CA ALA A 15 20.818 23.736 3.757 1.00 0.00 C ATOM 274 C ALA A 15 21.582 24.170 5.017 1.00 0.00 C ATOM 275 O ALA A 15 22.524 24.952 4.911 1.00 0.00 O ATOM 276 CB ALA A 15 19.884 24.852 3.286 1.00 0.00 C ATOM 0 H ALA A 15 19.089 22.569 3.683 1.00 0.00 H new ATOM 0 HA ALA A 15 21.567 23.542 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.454 25.772 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.427 24.568 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.104 25.012 4.031 1.00 0.00 H new ATOM 282 N LYS A 16 21.202 23.679 6.205 1.00 0.00 N ATOM 283 CA LYS A 16 21.931 23.977 7.435 1.00 0.00 C ATOM 284 C LYS A 16 23.352 23.394 7.331 1.00 0.00 C ATOM 285 O LYS A 16 24.291 23.934 7.911 1.00 0.00 O ATOM 286 CB LYS A 16 21.168 23.418 8.645 1.00 0.00 C ATOM 287 CG LYS A 16 19.813 24.123 8.832 1.00 0.00 C ATOM 288 CD LYS A 16 18.921 23.402 9.852 1.00 0.00 C ATOM 289 CE LYS A 16 19.390 23.602 11.299 1.00 0.00 C ATOM 290 NZ LYS A 16 18.577 22.803 12.234 1.00 0.00 N ATOM 0 H LYS A 16 20.392 23.073 6.335 1.00 0.00 H new ATOM 0 HA LYS A 16 22.014 25.055 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.007 22.348 8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.771 23.541 9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.981 25.149 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.297 24.175 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.898 23.765 9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.905 22.336 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.438 23.317 11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.323 24.657 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.709 23.160 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.573 22.877 11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.874 21.807 12.189 1.00 0.00 H new ATOM 304 N GLU A 17 23.504 22.299 6.577 1.00 0.00 N ATOM 305 CA GLU A 17 24.761 21.625 6.293 1.00 0.00 C ATOM 306 C GLU A 17 25.291 22.173 4.961 1.00 0.00 C ATOM 307 O GLU A 17 24.554 22.794 4.197 1.00 0.00 O ATOM 308 CB GLU A 17 24.538 20.107 6.201 1.00 0.00 C ATOM 309 CG GLU A 17 23.860 19.554 7.464 1.00 0.00 C ATOM 310 CD GLU A 17 23.723 18.034 7.457 1.00 0.00 C ATOM 311 OE1 GLU A 17 24.251 17.389 6.525 1.00 0.00 O ATOM 312 OE2 GLU A 17 23.091 17.530 8.411 1.00 0.00 O ATOM 0 H GLU A 17 22.709 21.842 6.129 1.00 0.00 H new ATOM 0 HA GLU A 17 25.483 21.807 7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.923 19.882 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.495 19.607 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.435 19.856 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.871 20.001 7.563 1.00 0.00 H new ATOM 319 N GLY A 18 26.568 21.942 4.653 1.00 0.00 N ATOM 320 CA GLY A 18 27.194 22.445 3.433 1.00 0.00 C ATOM 321 C GLY A 18 26.768 21.730 2.142 1.00 0.00 C ATOM 322 O GLY A 18 27.624 21.433 1.313 1.00 0.00 O ATOM 0 H GLY A 18 27.197 21.400 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.964 23.506 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 18 28.276 22.361 3.537 1.00 0.00 H new ATOM 326 N ASP A 19 25.469 21.470 1.959 1.00 0.00 N ATOM 327 CA ASP A 19 24.874 20.825 0.792 1.00 0.00 C ATOM 328 C ASP A 19 23.363 20.693 1.034 1.00 0.00 C ATOM 329 O ASP A 19 22.967 19.841 1.829 1.00 0.00 O ATOM 330 CB ASP A 19 25.477 19.434 0.524 1.00 0.00 C ATOM 331 CG ASP A 19 24.781 18.715 -0.634 1.00 0.00 C ATOM 332 OD1 ASP A 19 24.122 19.410 -1.439 1.00 0.00 O ATOM 333 OD2 ASP A 19 24.913 17.476 -0.700 1.00 0.00 O ATOM 0 H ASP A 19 24.771 21.718 2.660 1.00 0.00 H new ATOM 0 HA ASP A 19 25.081 21.439 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.539 19.537 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.399 18.826 1.426 1.00 0.00 H new ATOM 338 N PRO A 20 22.501 21.487 0.374 1.00 0.00 N ATOM 339 CA PRO A 20 21.056 21.437 0.572 1.00 0.00 C ATOM 340 C PRO A 20 20.416 20.214 -0.104 1.00 0.00 C ATOM 341 O PRO A 20 19.418 20.342 -0.810 1.00 0.00 O ATOM 342 CB PRO A 20 20.547 22.766 0.003 1.00 0.00 C ATOM 343 CG PRO A 20 21.514 23.026 -1.150 1.00 0.00 C ATOM 344 CD PRO A 20 22.844 22.518 -0.593 1.00 0.00 C ATOM 0 HA PRO A 20 20.788 21.320 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.516 22.691 -0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.578 23.563 0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 20 21.222 22.490 -2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.561 24.084 -1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 20 23.472 22.115 -1.387 1.00 0.00 H new ATOM 0 HD3 PRO A 20 23.404 23.325 -0.122 1.00 0.00 H new ATOM 352 N ASN A 21 20.979 19.019 0.109 1.00 0.00 N ATOM 353 CA ASN A 21 20.493 17.767 -0.463 1.00 0.00 C ATOM 354 C ASN A 21 20.669 16.589 0.500 1.00 0.00 C ATOM 355 O ASN A 21 20.334 15.465 0.121 1.00 0.00 O ATOM 356 CB ASN A 21 21.219 17.458 -1.782 1.00 0.00 C ATOM 357 CG ASN A 21 20.941 18.488 -2.872 1.00 0.00 C ATOM 358 OD1 ASN A 21 19.935 18.403 -3.568 1.00 0.00 O ATOM 359 ND2 ASN A 21 21.833 19.460 -3.043 1.00 0.00 N ATOM 0 H ASN A 21 21.803 18.897 0.697 1.00 0.00 H new ATOM 0 HA ASN A 21 19.427 17.897 -0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.292 17.413 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 21 20.915 16.473 -2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.690 20.162 -3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.660 19.504 -2.448 1.00 0.00 H new ATOM 366 N GLN A 22 21.187 16.818 1.718 1.00 0.00 N ATOM 367 CA GLN A 22 21.415 15.782 2.716 1.00 0.00 C ATOM 368 C GLN A 22 21.164 16.281 4.115 1.00 0.00 C ATOM 369 O GLN A 22 21.405 17.453 4.392 1.00 0.00 O ATOM 370 CB GLN A 22 22.892 15.335 2.783 1.00 0.00 C ATOM 371 CG GLN A 22 23.753 15.867 1.623 1.00 0.00 C ATOM 372 CD GLN A 22 25.220 15.445 1.696 1.00 0.00 C ATOM 373 OE1 GLN A 22 26.075 16.229 2.096 1.00 0.00 O ATOM 374 NE2 GLN A 22 25.526 14.218 1.288 1.00 0.00 N ATOM 0 H GLN A 22 21.461 17.748 2.034 1.00 0.00 H new ATOM 0 HA GLN A 22 20.742 14.981 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.322 15.671 3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.933 14.246 2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.331 15.518 0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 22 23.698 16.956 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 22 24.791 13.591 0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.496 13.903 1.302 1.00 0.00 H new ATOM 383 N LEU A 23 20.767 15.359 4.995 1.00 0.00 N ATOM 384 CA LEU A 23 20.696 15.635 6.409 1.00 0.00 C ATOM 385 C LEU A 23 21.439 14.556 7.202 1.00 0.00 C ATOM 386 O LEU A 23 21.341 13.379 6.862 1.00 0.00 O ATOM 387 CB LEU A 23 19.240 15.615 6.887 1.00 0.00 C ATOM 388 CG LEU A 23 18.462 16.857 6.472 1.00 0.00 C ATOM 389 CD1 LEU A 23 16.961 16.592 6.562 1.00 0.00 C ATOM 390 CD2 LEU A 23 18.829 18.009 7.399 1.00 0.00 C ATOM 0 H LEU A 23 20.490 14.411 4.738 1.00 0.00 H new ATOM 0 HA LEU A 23 21.144 16.615 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 23 18.744 14.731 6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.221 15.527 7.973 1.00 0.00 H new ATOM 0 HG LEU A 23 18.715 17.112 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.415 17.487 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.697 15.767 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 23 16.698 16.332 7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 23 18.275 18.901 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 23 18.576 17.745 8.426 1.00 0.00 H new ATOM 0 HD23 LEU A 23 19.899 18.206 7.328 1.00 0.00 H new ATOM 402 N SER A 24 22.151 14.954 8.262 1.00 0.00 N ATOM 403 CA SER A 24 22.855 14.085 9.206 1.00 0.00 C ATOM 404 C SER A 24 21.835 13.470 10.170 1.00 0.00 C ATOM 405 O SER A 24 20.638 13.739 10.082 1.00 0.00 O ATOM 406 CB SER A 24 23.835 14.949 10.017 1.00 0.00 C ATOM 407 OG SER A 24 23.121 15.985 10.664 1.00 0.00 O ATOM 0 H SER A 24 22.256 15.942 8.495 1.00 0.00 H new ATOM 0 HA SER A 24 23.387 13.298 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.355 14.336 10.753 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.595 15.371 9.360 1.00 0.00 H new ATOM 0 HG SER A 24 23.050 16.757 10.065 1.00 0.00 H new ATOM 413 N LYS A 25 22.316 12.667 11.122 1.00 0.00 N ATOM 414 CA LYS A 25 21.496 12.050 12.155 1.00 0.00 C ATOM 415 C LYS A 25 20.717 13.136 12.914 1.00 0.00 C ATOM 416 O LYS A 25 19.483 13.152 12.953 1.00 0.00 O ATOM 417 CB LYS A 25 22.415 11.283 13.124 1.00 0.00 C ATOM 418 CG LYS A 25 23.310 10.238 12.443 1.00 0.00 C ATOM 419 CD LYS A 25 24.288 9.662 13.475 1.00 0.00 C ATOM 420 CE LYS A 25 25.140 8.546 12.858 1.00 0.00 C ATOM 421 NZ LYS A 25 25.901 7.830 13.895 1.00 0.00 N ATOM 0 H LYS A 25 23.305 12.426 11.194 1.00 0.00 H new ATOM 0 HA LYS A 25 20.783 11.360 11.704 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.046 11.998 13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.800 10.786 13.874 1.00 0.00 H new ATOM 0 HG2 LYS A 25 22.700 9.441 12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 25 23.859 10.693 11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 25 24.936 10.454 13.850 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.734 9.272 14.329 1.00 0.00 H new ATOM 0 HE2 LYS A 25 24.497 7.846 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.827 8.970 12.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 26.417 7.037 13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 26.578 8.481 14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.246 7.465 14.616 1.00 0.00 H new ATOM 435 N GLU A 26 21.468 14.060 13.521 1.00 0.00 N ATOM 436 CA GLU A 26 20.920 15.149 14.310 1.00 0.00 C ATOM 437 C GLU A 26 20.039 16.079 13.479 1.00 0.00 C ATOM 438 O GLU A 26 18.982 16.510 13.946 1.00 0.00 O ATOM 439 CB GLU A 26 22.024 15.873 15.087 1.00 0.00 C ATOM 440 CG GLU A 26 22.984 16.595 14.150 1.00 0.00 C ATOM 441 CD GLU A 26 24.191 17.150 14.895 1.00 0.00 C ATOM 442 OE1 GLU A 26 24.017 18.197 15.556 1.00 0.00 O ATOM 443 OE2 GLU A 26 25.259 16.507 14.802 1.00 0.00 O ATOM 0 H GLU A 26 22.487 14.066 13.473 1.00 0.00 H new ATOM 0 HA GLU A 26 20.250 14.722 15.056 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.576 16.591 15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.576 15.154 15.692 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.320 15.908 13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.460 17.409 13.649 1.00 0.00 H new ATOM 450 N GLU A 27 20.451 16.414 12.253 1.00 0.00 N ATOM 451 CA GLU A 27 19.628 17.292 11.438 1.00 0.00 C ATOM 452 C GLU A 27 18.350 16.561 11.008 1.00 0.00 C ATOM 453 O GLU A 27 17.293 17.188 10.943 1.00 0.00 O ATOM 454 CB GLU A 27 20.444 17.944 10.319 1.00 0.00 C ATOM 455 CG GLU A 27 21.606 18.799 10.860 1.00 0.00 C ATOM 456 CD GLU A 27 21.129 19.935 11.758 1.00 0.00 C ATOM 457 OE1 GLU A 27 20.149 20.598 11.359 1.00 0.00 O ATOM 458 OE2 GLU A 27 21.736 20.105 12.839 1.00 0.00 O ATOM 0 H GLU A 27 21.320 16.100 11.820 1.00 0.00 H new ATOM 0 HA GLU A 27 19.282 18.143 12.024 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.841 17.169 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.789 18.569 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 27 22.291 18.162 11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 27 22.168 19.214 10.023 1.00 0.00 H new ATOM 465 N LEU A 28 18.406 15.245 10.753 1.00 0.00 N ATOM 466 CA LEU A 28 17.199 14.484 10.451 1.00 0.00 C ATOM 467 C LEU A 28 16.272 14.575 11.656 1.00 0.00 C ATOM 468 O LEU A 28 15.103 14.914 11.491 1.00 0.00 O ATOM 469 CB LEU A 28 17.462 13.001 10.154 1.00 0.00 C ATOM 470 CG LEU A 28 17.698 12.634 8.686 1.00 0.00 C ATOM 471 CD1 LEU A 28 17.893 11.121 8.620 1.00 0.00 C ATOM 472 CD2 LEU A 28 16.505 12.978 7.782 1.00 0.00 C ATOM 0 H LEU A 28 19.266 14.697 10.751 1.00 0.00 H new ATOM 0 HA LEU A 28 16.762 14.915 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.332 12.686 10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.613 12.423 10.519 1.00 0.00 H new ATOM 0 HG LEU A 28 18.561 13.200 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 28 18.064 10.821 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 28 18.753 10.838 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.001 10.622 8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.733 12.694 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.623 12.435 8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.311 14.050 7.828 1.00 0.00 H new ATOM 484 N LYS A 29 16.770 14.287 12.867 1.00 0.00 N ATOM 485 CA LYS A 29 15.921 14.425 14.045 1.00 0.00 C ATOM 486 C LYS A 29 15.255 15.795 14.057 1.00 0.00 C ATOM 487 O LYS A 29 14.047 15.889 14.282 1.00 0.00 O ATOM 488 CB LYS A 29 16.575 13.955 15.352 1.00 0.00 C ATOM 489 CG LYS A 29 16.045 14.755 16.559 1.00 0.00 C ATOM 490 CD LYS A 29 16.893 16.004 16.670 1.00 0.00 C ATOM 491 CE LYS A 29 17.921 15.951 17.805 1.00 0.00 C ATOM 492 NZ LYS A 29 18.815 14.786 17.689 1.00 0.00 N ATOM 0 H LYS A 29 17.722 13.969 13.048 1.00 0.00 H new ATOM 0 HA LYS A 29 15.102 13.710 13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.376 12.894 15.500 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.657 14.070 15.283 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.995 15.013 16.420 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.109 14.163 17.472 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.415 16.164 15.726 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.240 16.863 16.823 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.515 16.865 17.799 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.402 15.915 18.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.647 14.925 18.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.308 13.928 17.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.121 14.681 16.701 1.00 0.00 H new ATOM 506 N GLN A 30 16.020 16.856 13.812 1.00 0.00 N ATOM 507 CA GLN A 30 15.420 18.169 13.849 1.00 0.00 C ATOM 508 C GLN A 30 14.340 18.297 12.763 1.00 0.00 C ATOM 509 O GLN A 30 13.275 18.863 13.010 1.00 0.00 O ATOM 510 CB GLN A 30 16.498 19.248 13.736 1.00 0.00 C ATOM 511 CG GLN A 30 17.301 19.354 15.028 1.00 0.00 C ATOM 512 CD GLN A 30 18.632 20.049 14.780 1.00 0.00 C ATOM 513 OE1 GLN A 30 18.744 21.267 14.872 1.00 0.00 O ATOM 514 NE2 GLN A 30 19.648 19.260 14.453 1.00 0.00 N ATOM 0 H GLN A 30 17.016 16.829 13.595 1.00 0.00 H new ATOM 0 HA GLN A 30 14.923 18.312 14.808 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.166 19.015 12.907 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.034 20.209 13.512 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.729 19.908 15.773 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.476 18.358 15.436 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.510 18.251 14.388 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.567 19.662 14.267 1.00 0.00 H new ATOM 523 N LEU A 31 14.594 17.783 11.553 1.00 0.00 N ATOM 524 CA LEU A 31 13.583 17.765 10.492 1.00 0.00 C ATOM 525 C LEU A 31 12.292 17.156 11.018 1.00 0.00 C ATOM 526 O LEU A 31 11.212 17.740 10.933 1.00 0.00 O ATOM 527 CB LEU A 31 14.079 17.020 9.236 1.00 0.00 C ATOM 528 CG LEU A 31 13.006 16.883 8.138 1.00 0.00 C ATOM 529 CD1 LEU A 31 12.716 18.223 7.459 1.00 0.00 C ATOM 530 CD2 LEU A 31 13.447 15.873 7.075 1.00 0.00 C ATOM 0 H LEU A 31 15.490 17.375 11.286 1.00 0.00 H new ATOM 0 HA LEU A 31 13.391 18.795 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.941 17.548 8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.421 16.026 9.524 1.00 0.00 H new ATOM 0 HG LEU A 31 12.096 16.534 8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.955 18.085 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.358 18.937 8.201 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.629 18.604 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.676 15.791 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.378 16.209 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.602 14.899 7.540 1.00 0.00 H new ATOM 542 N ILE A 32 12.433 15.961 11.567 1.00 0.00 N ATOM 543 CA ILE A 32 11.314 15.200 12.102 1.00 0.00 C ATOM 544 C ILE A 32 10.575 15.960 13.186 1.00 0.00 C ATOM 545 O ILE A 32 9.351 16.040 13.166 1.00 0.00 O ATOM 546 CB ILE A 32 11.710 13.777 12.520 1.00 0.00 C ATOM 547 CG1 ILE A 32 12.328 12.973 11.364 1.00 0.00 C ATOM 548 CG2 ILE A 32 10.490 13.020 13.068 1.00 0.00 C ATOM 549 CD1 ILE A 32 11.540 12.997 10.050 1.00 0.00 C ATOM 0 H ILE A 32 13.332 15.488 11.655 1.00 0.00 H new ATOM 0 HA ILE A 32 10.603 15.072 11.286 1.00 0.00 H new ATOM 0 HB ILE A 32 12.467 13.880 13.297 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.331 13.356 11.173 1.00 0.00 H new ATOM 0 HG13 ILE A 32 12.438 11.937 11.683 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.788 12.013 13.360 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.094 13.547 13.936 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.721 12.962 12.297 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.062 12.400 9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.545 12.583 10.215 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.452 14.025 9.697 1.00 0.00 H new ATOM 561 N GLN A 33 11.313 16.521 14.128 1.00 0.00 N ATOM 562 CA GLN A 33 10.712 17.272 15.223 1.00 0.00 C ATOM 563 C GLN A 33 9.956 18.493 14.685 1.00 0.00 C ATOM 564 O GLN A 33 8.918 18.864 15.223 1.00 0.00 O ATOM 565 CB GLN A 33 11.708 17.566 16.359 1.00 0.00 C ATOM 566 CG GLN A 33 12.387 18.940 16.315 1.00 0.00 C ATOM 567 CD GLN A 33 13.400 19.082 17.446 1.00 0.00 C ATOM 568 OE1 GLN A 33 14.605 19.014 17.229 1.00 0.00 O ATOM 569 NE2 GLN A 33 12.922 19.278 18.671 1.00 0.00 N ATOM 0 H GLN A 33 12.331 16.472 14.159 1.00 0.00 H new ATOM 0 HA GLN A 33 9.961 16.646 15.706 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.183 17.472 17.310 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.482 16.799 16.345 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.886 19.073 15.355 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.635 19.725 16.394 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.915 19.331 18.823 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.563 19.376 19.459 1.00 0.00 H new ATOM 578 N ALA A 34 10.461 19.120 13.617 1.00 0.00 N ATOM 579 CA ALA A 34 9.790 20.261 13.014 1.00 0.00 C ATOM 580 C ALA A 34 8.528 19.831 12.254 1.00 0.00 C ATOM 581 O ALA A 34 7.485 20.469 12.380 1.00 0.00 O ATOM 582 CB ALA A 34 10.761 21.006 12.095 1.00 0.00 C ATOM 0 H ALA A 34 11.331 18.852 13.158 1.00 0.00 H new ATOM 0 HA ALA A 34 9.471 20.935 13.809 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.254 21.860 11.646 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.615 21.355 12.675 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.106 20.334 11.309 1.00 0.00 H new ATOM 588 N GLU A 35 8.619 18.767 11.451 1.00 0.00 N ATOM 589 CA GLU A 35 7.515 18.286 10.626 1.00 0.00 C ATOM 590 C GLU A 35 6.451 17.496 11.398 1.00 0.00 C ATOM 591 O GLU A 35 5.261 17.788 11.292 1.00 0.00 O ATOM 592 CB GLU A 35 8.075 17.413 9.494 1.00 0.00 C ATOM 593 CG GLU A 35 8.871 18.220 8.460 1.00 0.00 C ATOM 594 CD GLU A 35 9.289 17.359 7.270 1.00 0.00 C ATOM 595 OE1 GLU A 35 9.664 16.190 7.505 1.00 0.00 O ATOM 596 OE2 GLU A 35 9.227 17.885 6.138 1.00 0.00 O ATOM 0 H GLU A 35 9.470 18.213 11.357 1.00 0.00 H new ATOM 0 HA GLU A 35 7.013 19.172 10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.718 16.642 9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.252 16.902 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.267 19.057 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.758 18.642 8.933 1.00 0.00 H new ATOM 603 N PHE A 36 6.870 16.467 12.137 1.00 0.00 N ATOM 604 CA PHE A 36 6.000 15.548 12.860 1.00 0.00 C ATOM 605 C PHE A 36 6.788 14.722 13.895 1.00 0.00 C ATOM 606 O PHE A 36 7.225 13.614 13.581 1.00 0.00 O ATOM 607 CB PHE A 36 5.221 14.648 11.871 1.00 0.00 C ATOM 608 CG PHE A 36 5.849 14.300 10.523 1.00 0.00 C ATOM 609 CD1 PHE A 36 7.243 14.168 10.356 1.00 0.00 C ATOM 610 CD2 PHE A 36 5.005 14.090 9.414 1.00 0.00 C ATOM 611 CE1 PHE A 36 7.789 13.989 9.073 1.00 0.00 C ATOM 612 CE2 PHE A 36 5.550 13.846 8.142 1.00 0.00 C ATOM 613 CZ PHE A 36 6.942 13.841 7.962 1.00 0.00 C ATOM 0 H PHE A 36 7.859 16.246 12.250 1.00 0.00 H new ATOM 0 HA PHE A 36 5.271 16.135 13.419 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.004 13.711 12.383 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.265 15.132 11.672 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.894 14.205 11.217 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.933 14.117 9.543 1.00 0.00 H new ATOM 0 HE1 PHE A 36 8.861 13.965 8.941 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.897 13.662 7.302 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.360 13.724 6.973 1.00 0.00 H new ATOM 753 N THR A 45 13.358 5.560 19.354 1.00 0.00 N ATOM 754 CA THR A 45 14.042 5.613 18.096 1.00 0.00 C ATOM 755 C THR A 45 14.485 7.001 17.660 1.00 0.00 C ATOM 756 O THR A 45 15.635 7.380 17.859 1.00 0.00 O ATOM 757 CB THR A 45 13.235 4.854 17.037 1.00 0.00 C ATOM 758 OG1 THR A 45 12.893 3.579 17.547 1.00 0.00 O ATOM 759 CG2 THR A 45 14.130 4.677 15.820 1.00 0.00 C ATOM 0 HA THR A 45 14.996 5.104 18.230 1.00 0.00 H new ATOM 0 HB THR A 45 12.327 5.397 16.776 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.878 3.612 18.526 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.586 4.139 15.044 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.428 5.655 15.442 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.018 4.110 16.101 1.00 0.00 H new ATOM 767 N LEU A 46 13.543 7.701 17.040 1.00 0.00 N ATOM 768 CA LEU A 46 13.615 8.969 16.332 1.00 0.00 C ATOM 769 C LEU A 46 14.743 8.988 15.303 1.00 0.00 C ATOM 770 O LEU A 46 14.459 9.145 14.124 1.00 0.00 O ATOM 771 CB LEU A 46 13.629 10.164 17.286 1.00 0.00 C ATOM 772 CG LEU A 46 13.498 11.504 16.540 1.00 0.00 C ATOM 773 CD1 LEU A 46 12.242 11.589 15.666 1.00 0.00 C ATOM 774 CD2 LEU A 46 13.435 12.622 17.587 1.00 0.00 C ATOM 0 H LEU A 46 12.588 7.344 17.021 1.00 0.00 H new ATOM 0 HA LEU A 46 12.695 9.072 15.756 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.812 10.066 18.000 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.556 10.158 17.859 1.00 0.00 H new ATOM 0 HG LEU A 46 14.358 11.599 15.877 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.210 12.558 15.168 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.265 10.797 14.917 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.356 11.472 16.290 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.342 13.585 17.086 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.573 12.465 18.235 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.346 12.611 18.186 1.00 0.00 H new ATOM 786 N ASP A 47 15.998 8.802 15.708 1.00 0.00 N ATOM 787 CA ASP A 47 17.137 8.729 14.827 1.00 0.00 C ATOM 788 C ASP A 47 18.162 7.732 15.351 1.00 0.00 C ATOM 789 O ASP A 47 19.125 8.040 16.044 1.00 0.00 O ATOM 790 CB ASP A 47 17.743 10.072 14.493 1.00 0.00 C ATOM 791 CG ASP A 47 18.424 10.798 15.653 1.00 0.00 C ATOM 792 OD1 ASP A 47 17.756 10.970 16.695 1.00 0.00 O ATOM 793 OD2 ASP A 47 19.593 11.199 15.461 1.00 0.00 O ATOM 0 H ASP A 47 16.246 8.696 16.692 1.00 0.00 H new ATOM 0 HA ASP A 47 16.767 8.358 13.871 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.474 9.932 13.697 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.958 10.716 14.096 1.00 0.00 H new ATOM 798 N ASP A 48 17.891 6.508 14.939 1.00 0.00 N ATOM 799 CA ASP A 48 18.657 5.294 15.193 1.00 0.00 C ATOM 800 C ASP A 48 18.642 4.461 13.922 1.00 0.00 C ATOM 801 O ASP A 48 19.695 4.280 13.328 1.00 0.00 O ATOM 802 CB ASP A 48 18.165 4.533 16.424 1.00 0.00 C ATOM 803 CG ASP A 48 18.971 3.253 16.625 1.00 0.00 C ATOM 804 OD1 ASP A 48 20.205 3.319 16.424 1.00 0.00 O ATOM 805 OD2 ASP A 48 18.336 2.231 16.959 1.00 0.00 O ATOM 0 H ASP A 48 17.064 6.318 14.373 1.00 0.00 H new ATOM 0 HA ASP A 48 19.687 5.550 15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.252 5.166 17.307 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.109 4.289 16.309 1.00 0.00 H new ATOM 810 N LEU A 49 17.479 3.991 13.451 1.00 0.00 N ATOM 811 CA LEU A 49 17.463 3.303 12.155 1.00 0.00 C ATOM 812 C LEU A 49 18.011 4.285 11.103 1.00 0.00 C ATOM 813 O LEU A 49 18.724 3.912 10.178 1.00 0.00 O ATOM 814 CB LEU A 49 16.087 2.692 11.842 1.00 0.00 C ATOM 815 CG LEU A 49 14.950 3.684 11.544 1.00 0.00 C ATOM 816 CD1 LEU A 49 14.854 3.985 10.041 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.611 3.077 11.984 1.00 0.00 C ATOM 0 H LEU A 49 16.577 4.068 13.922 1.00 0.00 H new ATOM 0 HA LEU A 49 18.114 2.429 12.159 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.195 2.028 10.984 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.788 2.073 12.688 1.00 0.00 H new ATOM 0 HG LEU A 49 15.163 4.605 12.087 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.041 4.689 9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.793 4.419 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.660 3.061 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.806 3.780 11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.435 2.150 11.439 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.640 2.869 13.054 1.00 0.00 H new ATOM 829 N PHE A 50 17.710 5.574 11.304 1.00 0.00 N ATOM 830 CA PHE A 50 18.206 6.710 10.534 1.00 0.00 C ATOM 831 C PHE A 50 19.732 6.638 10.390 1.00 0.00 C ATOM 832 O PHE A 50 20.281 6.995 9.349 1.00 0.00 O ATOM 833 CB PHE A 50 17.834 7.974 11.316 1.00 0.00 C ATOM 834 CG PHE A 50 16.394 8.447 11.219 1.00 0.00 C ATOM 835 CD1 PHE A 50 15.330 7.562 10.953 1.00 0.00 C ATOM 836 CD2 PHE A 50 16.118 9.805 11.447 1.00 0.00 C ATOM 837 CE1 PHE A 50 14.002 8.017 11.005 1.00 0.00 C ATOM 838 CE2 PHE A 50 14.797 10.280 11.400 1.00 0.00 C ATOM 839 CZ PHE A 50 13.735 9.380 11.206 1.00 0.00 C ATOM 0 H PHE A 50 17.078 5.863 12.051 1.00 0.00 H new ATOM 0 HA PHE A 50 17.770 6.710 9.535 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.064 7.801 12.367 1.00 0.00 H new ATOM 0 HB3 PHE A 50 18.480 8.784 10.977 1.00 0.00 H new ATOM 0 HD1 PHE A 50 15.536 6.531 10.708 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.927 10.488 11.660 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.187 7.318 10.890 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.598 11.335 11.513 1.00 0.00 H new ATOM 0 HZ PHE A 50 12.716 9.737 11.212 1.00 0.00 H new ATOM 849 N GLN A 51 20.432 6.171 11.429 1.00 0.00 N ATOM 850 CA GLN A 51 21.881 6.066 11.415 1.00 0.00 C ATOM 851 C GLN A 51 22.342 5.121 10.303 1.00 0.00 C ATOM 852 O GLN A 51 23.415 5.319 9.741 1.00 0.00 O ATOM 853 CB GLN A 51 22.410 5.638 12.793 1.00 0.00 C ATOM 854 CG GLN A 51 22.078 6.658 13.884 1.00 0.00 C ATOM 855 CD GLN A 51 22.781 6.303 15.193 1.00 0.00 C ATOM 856 OE1 GLN A 51 23.712 6.989 15.602 1.00 0.00 O ATOM 857 NE2 GLN A 51 22.366 5.229 15.859 1.00 0.00 N ATOM 0 H GLN A 51 20.003 5.857 12.300 1.00 0.00 H new ATOM 0 HA GLN A 51 22.301 7.049 11.201 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.982 4.672 13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 51 23.491 5.505 12.740 1.00 0.00 H new ATOM 0 HG2 GLN A 51 22.382 7.654 13.561 1.00 0.00 H new ATOM 0 HG3 GLN A 51 21.000 6.690 14.042 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.590 4.674 15.499 1.00 0.00 H new ATOM 0 HE22 GLN A 51 22.824 4.960 16.730 1.00 0.00 H new ATOM 866 N GLU A 52 21.535 4.112 9.958 1.00 0.00 N ATOM 867 CA GLU A 52 21.868 3.196 8.875 1.00 0.00 C ATOM 868 C GLU A 52 21.802 3.954 7.544 1.00 0.00 C ATOM 869 O GLU A 52 22.544 3.654 6.613 1.00 0.00 O ATOM 870 CB GLU A 52 20.899 2.006 8.868 1.00 0.00 C ATOM 871 CG GLU A 52 20.870 1.262 10.210 1.00 0.00 C ATOM 872 CD GLU A 52 19.852 0.128 10.181 1.00 0.00 C ATOM 873 OE1 GLU A 52 20.250 -0.983 9.770 1.00 0.00 O ATOM 874 OE2 GLU A 52 18.691 0.397 10.560 1.00 0.00 O ATOM 0 H GLU A 52 20.646 3.913 10.417 1.00 0.00 H new ATOM 0 HA GLU A 52 22.876 2.808 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.896 2.360 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.187 1.312 8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.860 0.862 10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.622 1.958 11.011 1.00 0.00 H new ATOM 881 N LEU A 53 20.904 4.942 7.460 1.00 0.00 N ATOM 882 CA LEU A 53 20.712 5.755 6.272 1.00 0.00 C ATOM 883 C LEU A 53 21.810 6.818 6.153 1.00 0.00 C ATOM 884 O LEU A 53 22.119 7.229 5.037 1.00 0.00 O ATOM 885 CB LEU A 53 19.314 6.393 6.269 1.00 0.00 C ATOM 886 CG LEU A 53 18.159 5.393 6.448 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.830 6.158 6.457 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.123 4.346 5.328 1.00 0.00 C ATOM 0 H LEU A 53 20.286 5.196 8.230 1.00 0.00 H new ATOM 0 HA LEU A 53 20.784 5.106 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.264 7.134 7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.174 6.927 5.329 1.00 0.00 H new ATOM 0 HG LEU A 53 18.315 4.870 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.006 5.455 6.584 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.827 6.873 7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.710 6.691 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.291 3.662 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.994 4.845 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.058 3.786 5.323 1.00 0.00 H new ATOM 900 N ASP A 54 22.381 7.269 7.284 1.00 0.00 N ATOM 901 CA ASP A 54 23.465 8.261 7.391 1.00 0.00 C ATOM 902 C ASP A 54 24.741 7.673 6.768 1.00 0.00 C ATOM 903 O ASP A 54 25.717 7.394 7.462 1.00 0.00 O ATOM 904 CB ASP A 54 23.653 8.587 8.881 1.00 0.00 C ATOM 905 CG ASP A 54 24.571 9.782 9.110 1.00 0.00 C ATOM 906 OD1 ASP A 54 24.067 10.912 8.935 1.00 0.00 O ATOM 907 OD2 ASP A 54 25.733 9.560 9.507 1.00 0.00 O ATOM 0 H ASP A 54 22.081 6.932 8.199 1.00 0.00 H new ATOM 0 HA ASP A 54 23.229 9.180 6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 54 22.681 8.790 9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 54 24.064 7.715 9.390 1.00 0.00 H new ATOM 974 N GLU A 60 25.810 11.830 4.669 1.00 0.00 N ATOM 975 CA GLU A 60 24.712 11.636 5.602 1.00 0.00 C ATOM 976 C GLU A 60 23.551 10.904 4.910 1.00 0.00 C ATOM 977 O GLU A 60 23.753 9.882 4.262 1.00 0.00 O ATOM 978 CB GLU A 60 24.252 12.986 6.119 1.00 0.00 C ATOM 979 CG GLU A 60 25.320 13.877 6.771 1.00 0.00 C ATOM 980 CD GLU A 60 26.221 14.597 5.773 1.00 0.00 C ATOM 981 OE1 GLU A 60 25.712 14.927 4.683 1.00 0.00 O ATOM 982 OE2 GLU A 60 27.405 14.800 6.120 1.00 0.00 O ATOM 0 HA GLU A 60 25.050 11.026 6.440 1.00 0.00 H new ATOM 0 HB2 GLU A 60 23.811 13.536 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 60 23.458 12.819 6.847 1.00 0.00 H new ATOM 0 HG2 GLU A 60 24.826 14.618 7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 60 25.938 13.264 7.427 1.00 0.00 H new ATOM 989 N VAL A 61 22.328 11.431 5.046 1.00 0.00 N ATOM 990 CA VAL A 61 21.129 10.924 4.427 1.00 0.00 C ATOM 991 C VAL A 61 20.796 11.905 3.319 1.00 0.00 C ATOM 992 O VAL A 61 20.030 12.851 3.512 1.00 0.00 O ATOM 993 CB VAL A 61 20.001 10.792 5.473 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.837 9.998 4.880 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.527 10.050 6.700 1.00 0.00 C ATOM 0 H VAL A 61 22.155 12.258 5.618 1.00 0.00 H new ATOM 0 HA VAL A 61 21.259 9.923 4.014 1.00 0.00 H new ATOM 0 HB VAL A 61 19.661 11.788 5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.043 9.907 5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.454 10.515 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.182 9.004 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.730 9.957 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.867 9.057 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.359 10.606 7.132 1.00 0.00 H new ATOM 1005 N SER A 62 21.392 11.663 2.153 1.00 0.00 N ATOM 1006 CA SER A 62 21.147 12.450 0.961 1.00 0.00 C ATOM 1007 C SER A 62 19.744 12.104 0.472 1.00 0.00 C ATOM 1008 O SER A 62 19.190 11.100 0.918 1.00 0.00 O ATOM 1009 CB SER A 62 22.205 12.125 -0.084 1.00 0.00 C ATOM 1010 OG SER A 62 23.469 12.505 0.414 1.00 0.00 O ATOM 0 H SER A 62 22.063 10.907 2.015 1.00 0.00 H new ATOM 0 HA SER A 62 21.207 13.520 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.194 11.059 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 62 21.992 12.653 -1.014 1.00 0.00 H new ATOM 0 HG SER A 62 24.047 12.773 -0.331 1.00 0.00 H new ATOM 1016 N PHE A 63 19.157 12.899 -0.430 1.00 0.00 N ATOM 1017 CA PHE A 63 17.823 12.605 -0.964 1.00 0.00 C ATOM 1018 C PHE A 63 17.673 11.114 -1.321 1.00 0.00 C ATOM 1019 O PHE A 63 16.665 10.478 -1.013 1.00 0.00 O ATOM 1020 CB PHE A 63 17.476 13.499 -2.160 1.00 0.00 C ATOM 1021 CG PHE A 63 16.004 13.393 -2.519 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.050 14.059 -1.726 1.00 0.00 C ATOM 1023 CD2 PHE A 63 15.579 12.434 -3.458 1.00 0.00 C ATOM 1024 CE1 PHE A 63 13.684 13.747 -1.849 1.00 0.00 C ATOM 1025 CE2 PHE A 63 14.214 12.116 -3.577 1.00 0.00 C ATOM 1026 CZ PHE A 63 13.268 12.765 -2.764 1.00 0.00 C ATOM 0 H PHE A 63 19.583 13.747 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 63 17.108 12.830 -0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 63 17.722 14.535 -1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 63 18.084 13.213 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 63 15.368 14.812 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 63 16.303 11.941 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.955 14.262 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.893 11.374 -4.293 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.222 12.509 -2.843 1.00 0.00 H new ATOM 1036 N GLU A 64 18.716 10.570 -1.955 1.00 0.00 N ATOM 1037 CA GLU A 64 18.845 9.186 -2.390 1.00 0.00 C ATOM 1038 C GLU A 64 18.540 8.188 -1.264 1.00 0.00 C ATOM 1039 O GLU A 64 17.992 7.120 -1.532 1.00 0.00 O ATOM 1040 CB GLU A 64 20.257 8.950 -2.953 1.00 0.00 C ATOM 1041 CG GLU A 64 20.520 9.653 -4.298 1.00 0.00 C ATOM 1042 CD GLU A 64 20.537 11.181 -4.228 1.00 0.00 C ATOM 1043 OE1 GLU A 64 20.923 11.703 -3.157 1.00 0.00 O ATOM 1044 OE2 GLU A 64 20.134 11.801 -5.233 1.00 0.00 O ATOM 0 H GLU A 64 19.541 11.123 -2.190 1.00 0.00 H new ATOM 0 HA GLU A 64 18.105 9.014 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.990 9.296 -2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.413 7.878 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.477 9.310 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.755 9.344 -5.010 1.00 0.00 H new ATOM 1051 N GLU A 65 18.883 8.527 -0.018 1.00 0.00 N ATOM 1052 CA GLU A 65 18.617 7.702 1.153 1.00 0.00 C ATOM 1053 C GLU A 65 17.306 8.168 1.797 1.00 0.00 C ATOM 1054 O GLU A 65 16.452 7.353 2.135 1.00 0.00 O ATOM 1055 CB GLU A 65 19.782 7.776 2.153 1.00 0.00 C ATOM 1056 CG GLU A 65 21.087 7.152 1.641 1.00 0.00 C ATOM 1057 CD GLU A 65 21.895 8.094 0.758 1.00 0.00 C ATOM 1058 OE1 GLU A 65 22.214 9.194 1.256 1.00 0.00 O ATOM 1059 OE2 GLU A 65 22.183 7.697 -0.391 1.00 0.00 O ATOM 0 H GLU A 65 19.362 9.400 0.204 1.00 0.00 H new ATOM 0 HA GLU A 65 18.520 6.659 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.965 8.821 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.488 7.273 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.697 6.850 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 65 20.854 6.248 1.079 1.00 0.00 H new ATOM 1066 N PHE A 66 17.142 9.486 1.965 1.00 0.00 N ATOM 1067 CA PHE A 66 15.969 10.110 2.572 1.00 0.00 C ATOM 1068 C PHE A 66 14.671 9.573 1.976 1.00 0.00 C ATOM 1069 O PHE A 66 13.719 9.319 2.712 1.00 0.00 O ATOM 1070 CB PHE A 66 16.034 11.630 2.406 1.00 0.00 C ATOM 1071 CG PHE A 66 14.840 12.381 2.966 1.00 0.00 C ATOM 1072 CD1 PHE A 66 14.546 12.320 4.341 1.00 0.00 C ATOM 1073 CD2 PHE A 66 14.018 13.141 2.110 1.00 0.00 C ATOM 1074 CE1 PHE A 66 13.435 13.010 4.856 1.00 0.00 C ATOM 1075 CE2 PHE A 66 12.922 13.851 2.631 1.00 0.00 C ATOM 1076 CZ PHE A 66 12.626 13.780 4.002 1.00 0.00 C ATOM 0 H PHE A 66 17.845 10.164 1.672 1.00 0.00 H new ATOM 0 HA PHE A 66 15.975 9.862 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.938 11.997 2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.127 11.862 1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.175 11.742 5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.230 13.178 1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.203 12.949 5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.307 14.451 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 66 11.777 14.317 4.400 1.00 0.00 H new ATOM 1086 N GLN A 67 14.620 9.386 0.656 1.00 0.00 N ATOM 1087 CA GLN A 67 13.438 8.842 0.005 1.00 0.00 C ATOM 1088 C GLN A 67 12.955 7.551 0.688 1.00 0.00 C ATOM 1089 O GLN A 67 11.755 7.308 0.749 1.00 0.00 O ATOM 1090 CB GLN A 67 13.666 8.674 -1.501 1.00 0.00 C ATOM 1091 CG GLN A 67 14.772 7.667 -1.831 1.00 0.00 C ATOM 1092 CD GLN A 67 15.071 7.616 -3.326 1.00 0.00 C ATOM 1093 OE1 GLN A 67 14.256 8.015 -4.153 1.00 0.00 O ATOM 1094 NE2 GLN A 67 16.249 7.124 -3.691 1.00 0.00 N ATOM 0 H GLN A 67 15.387 9.605 0.020 1.00 0.00 H new ATOM 0 HA GLN A 67 12.628 9.562 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.736 8.351 -1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.922 9.641 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.679 7.934 -1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.475 6.676 -1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.908 6.799 -2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.495 7.071 -4.679 1.00 0.00 H new ATOM 1103 N VAL A 68 13.865 6.729 1.227 1.00 0.00 N ATOM 1104 CA VAL A 68 13.487 5.507 1.928 1.00 0.00 C ATOM 1105 C VAL A 68 12.703 5.894 3.187 1.00 0.00 C ATOM 1106 O VAL A 68 11.666 5.304 3.486 1.00 0.00 O ATOM 1107 CB VAL A 68 14.728 4.656 2.257 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.325 3.342 2.940 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.520 4.321 0.984 1.00 0.00 C ATOM 0 H VAL A 68 14.871 6.894 1.188 1.00 0.00 H new ATOM 0 HA VAL A 68 12.852 4.890 1.292 1.00 0.00 H new ATOM 0 HB VAL A 68 15.351 5.244 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.218 2.759 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.795 3.561 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.675 2.772 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.391 3.720 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.885 3.761 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.847 5.244 0.505 1.00 0.00 H new ATOM 1119 N LEU A 69 13.187 6.903 3.919 1.00 0.00 N ATOM 1120 CA LEU A 69 12.519 7.396 5.115 1.00 0.00 C ATOM 1121 C LEU A 69 11.132 7.897 4.709 1.00 0.00 C ATOM 1122 O LEU A 69 10.143 7.528 5.339 1.00 0.00 O ATOM 1123 CB LEU A 69 13.379 8.456 5.827 1.00 0.00 C ATOM 1124 CG LEU A 69 12.751 9.030 7.110 1.00 0.00 C ATOM 1125 CD1 LEU A 69 12.369 7.939 8.111 1.00 0.00 C ATOM 1126 CD2 LEU A 69 13.736 10.007 7.758 1.00 0.00 C ATOM 0 H LEU A 69 14.051 7.396 3.695 1.00 0.00 H new ATOM 0 HA LEU A 69 12.389 6.600 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.344 8.015 6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.572 9.275 5.134 1.00 0.00 H new ATOM 0 HG LEU A 69 11.832 9.544 6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.931 8.396 8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.645 7.264 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.259 7.378 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.297 10.417 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.659 9.483 8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.954 10.818 7.063 1.00 0.00 H new ATOM 1138 N VAL A 70 11.064 8.711 3.648 1.00 0.00 N ATOM 1139 CA VAL A 70 9.812 9.246 3.118 1.00 0.00 C ATOM 1140 C VAL A 70 8.818 8.113 2.821 1.00 0.00 C ATOM 1141 O VAL A 70 7.672 8.152 3.264 1.00 0.00 O ATOM 1142 CB VAL A 70 10.069 10.115 1.873 1.00 0.00 C ATOM 1143 CG1 VAL A 70 8.756 10.584 1.230 1.00 0.00 C ATOM 1144 CG2 VAL A 70 10.895 11.354 2.238 1.00 0.00 C ATOM 0 H VAL A 70 11.888 9.018 3.131 1.00 0.00 H new ATOM 0 HA VAL A 70 9.364 9.887 3.877 1.00 0.00 H new ATOM 0 HB VAL A 70 10.615 9.494 1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.977 11.195 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.168 9.717 0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.189 11.174 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.065 11.954 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.355 11.947 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.853 11.043 2.654 1.00 0.00 H new ATOM 1154 N LYS A 71 9.254 7.105 2.058 1.00 0.00 N ATOM 1155 CA LYS A 71 8.413 5.980 1.665 1.00 0.00 C ATOM 1156 C LYS A 71 7.675 5.343 2.845 1.00 0.00 C ATOM 1157 O LYS A 71 6.501 5.009 2.696 1.00 0.00 O ATOM 1158 CB LYS A 71 9.234 4.933 0.897 1.00 0.00 C ATOM 1159 CG LYS A 71 9.579 5.381 -0.531 1.00 0.00 C ATOM 1160 CD LYS A 71 8.393 5.215 -1.494 1.00 0.00 C ATOM 1161 CE LYS A 71 8.797 5.530 -2.939 1.00 0.00 C ATOM 1162 NZ LYS A 71 9.248 6.924 -3.098 1.00 0.00 N ATOM 0 H LYS A 71 10.206 7.051 1.696 1.00 0.00 H new ATOM 0 HA LYS A 71 7.644 6.379 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.156 4.729 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.675 3.998 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.890 6.426 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.426 4.801 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.014 4.195 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.580 5.875 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.595 4.854 -3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.950 5.346 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.398 7.128 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.525 7.568 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.140 7.061 -2.581 1.00 0.00 H new