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 21 ASN : amide:sc= 1.54 K(o=3.2,f=1.4) USER MOD Set 1.2: A 22 GLN : amide:sc= 1.68 K(o=3.2,f=1.4) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0.0766 (180deg=0.043) USER MOD Single : A 8 SER OG : rot 75:sc= 1.19 USER MOD Single : A 12 LYS NZ :NH3+ -135:sc= 0.336 (180deg=-1.02) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0105) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0546 K(o=-0.055,f=-2.5!) USER MOD Single : A 45 THR OG1 : rot -150:sc= 0.531 USER MOD Single : A 51 GLN : amide:sc= 0.0194 X(o=0.019,f=-0.3) USER MOD Single : A 62 SER OG : rot -135:sc= 1.56 USER MOD Single : A 67 GLN : amide:sc= 0.696 K(o=0.7,f=-0.022) USER MOD Single : A 71 LYS NZ :NH3+ 169:sc=-0.00899 (180deg=-0.162) USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 3 5.475 14.190 -1.250 1.00 0.00 N ATOM 75 CA PRO A 3 6.874 14.086 -1.628 1.00 0.00 C ATOM 76 C PRO A 3 7.454 15.480 -1.886 1.00 0.00 C ATOM 77 O PRO A 3 8.496 15.821 -1.338 1.00 0.00 O ATOM 78 CB PRO A 3 6.914 13.179 -2.863 1.00 0.00 C ATOM 79 CG PRO A 3 5.490 13.232 -3.420 1.00 0.00 C ATOM 80 CD PRO A 3 4.631 13.448 -2.173 1.00 0.00 C ATOM 0 HA PRO A 3 7.491 13.655 -0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.640 13.535 -3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.200 12.161 -2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.369 14.044 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.225 12.309 -3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.725 14.004 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.317 12.497 -1.742 1.00 0.00 H new ATOM 88 N ALA A 4 6.774 16.292 -2.702 1.00 0.00 N ATOM 89 CA ALA A 4 7.216 17.649 -3.019 1.00 0.00 C ATOM 90 C ALA A 4 7.435 18.499 -1.771 1.00 0.00 C ATOM 91 O ALA A 4 8.394 19.261 -1.666 1.00 0.00 O ATOM 92 CB ALA A 4 6.227 18.311 -3.981 1.00 0.00 C ATOM 0 H ALA A 4 5.903 16.025 -3.160 1.00 0.00 H new ATOM 0 HA ALA A 4 8.187 17.575 -3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.565 19.321 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.169 17.729 -4.901 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.242 18.355 -3.517 1.00 0.00 H new ATOM 98 N GLU A 5 6.522 18.339 -0.825 1.00 0.00 N ATOM 99 CA GLU A 5 6.527 19.035 0.454 1.00 0.00 C ATOM 100 C GLU A 5 7.804 18.637 1.198 1.00 0.00 C ATOM 101 O GLU A 5 8.616 19.490 1.562 1.00 0.00 O ATOM 102 CB GLU A 5 5.239 18.696 1.230 1.00 0.00 C ATOM 103 CG GLU A 5 5.085 19.448 2.557 1.00 0.00 C ATOM 104 CD GLU A 5 3.850 18.959 3.313 1.00 0.00 C ATOM 105 OE1 GLU A 5 2.742 19.467 3.029 1.00 0.00 O ATOM 106 OE2 GLU A 5 4.008 18.046 4.150 1.00 0.00 O ATOM 0 H GLU A 5 5.733 17.702 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 5 6.532 20.118 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.379 18.918 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.220 17.624 1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.975 19.301 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.002 20.518 2.367 1.00 0.00 H new ATOM 113 N LEU A 6 7.989 17.329 1.407 1.00 0.00 N ATOM 114 CA LEU A 6 9.160 16.814 2.103 1.00 0.00 C ATOM 115 C LEU A 6 10.457 17.186 1.407 1.00 0.00 C ATOM 116 O LEU A 6 11.455 17.482 2.057 1.00 0.00 O ATOM 117 CB LEU A 6 9.046 15.306 2.344 1.00 0.00 C ATOM 118 CG LEU A 6 7.923 14.973 3.337 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.692 13.461 3.342 1.00 0.00 C ATOM 120 CD2 LEU A 6 8.259 15.434 4.763 1.00 0.00 C ATOM 0 H LEU A 6 7.335 16.609 1.100 1.00 0.00 H new ATOM 0 HA LEU A 6 9.190 17.298 3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.857 14.799 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.994 14.926 2.725 1.00 0.00 H new ATOM 0 HG LEU A 6 7.026 15.503 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.896 13.217 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.407 13.133 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.609 12.954 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.437 15.178 5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.169 14.938 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.410 16.513 4.770 1.00 0.00 H new ATOM 132 N LYS A 7 10.429 17.183 0.085 1.00 0.00 N ATOM 133 CA LYS A 7 11.563 17.553 -0.743 1.00 0.00 C ATOM 134 C LYS A 7 11.904 19.018 -0.460 1.00 0.00 C ATOM 135 O LYS A 7 13.050 19.335 -0.159 1.00 0.00 O ATOM 136 CB LYS A 7 11.260 17.306 -2.226 1.00 0.00 C ATOM 137 CG LYS A 7 12.528 17.462 -3.078 1.00 0.00 C ATOM 138 CD LYS A 7 12.258 17.276 -4.578 1.00 0.00 C ATOM 139 CE LYS A 7 11.367 18.370 -5.186 1.00 0.00 C ATOM 140 NZ LYS A 7 11.938 19.718 -5.012 1.00 0.00 N ATOM 0 H LYS A 7 9.603 16.919 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 7 12.427 16.934 -0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.851 16.304 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.499 18.008 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.955 18.450 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.271 16.734 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.209 17.258 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.786 16.306 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.226 18.172 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.382 18.333 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.346 20.413 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.970 19.953 -4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.901 19.740 -5.403 1.00 0.00 H new ATOM 154 N SER A 8 10.912 19.908 -0.542 1.00 0.00 N ATOM 155 CA SER A 8 11.101 21.329 -0.285 1.00 0.00 C ATOM 156 C SER A 8 11.701 21.550 1.106 1.00 0.00 C ATOM 157 O SER A 8 12.713 22.238 1.246 1.00 0.00 O ATOM 158 CB SER A 8 9.773 22.077 -0.440 1.00 0.00 C ATOM 159 OG SER A 8 9.254 21.886 -1.743 1.00 0.00 O ATOM 0 H SER A 8 9.955 19.658 -0.789 1.00 0.00 H new ATOM 0 HA SER A 8 11.803 21.727 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.057 21.720 0.300 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.922 23.140 -0.252 1.00 0.00 H new ATOM 0 HG SER A 8 8.887 20.980 -1.820 1.00 0.00 H new ATOM 165 N ILE A 9 11.079 20.962 2.134 1.00 0.00 N ATOM 166 CA ILE A 9 11.553 21.092 3.508 1.00 0.00 C ATOM 167 C ILE A 9 12.992 20.563 3.595 1.00 0.00 C ATOM 168 O ILE A 9 13.876 21.238 4.117 1.00 0.00 O ATOM 169 CB ILE A 9 10.589 20.379 4.479 1.00 0.00 C ATOM 170 CG1 ILE A 9 9.210 21.068 4.456 1.00 0.00 C ATOM 171 CG2 ILE A 9 11.152 20.404 5.907 1.00 0.00 C ATOM 172 CD1 ILE A 9 8.126 20.256 5.173 1.00 0.00 C ATOM 0 H ILE A 9 10.241 20.389 2.034 1.00 0.00 H new ATOM 0 HA ILE A 9 11.568 22.140 3.807 1.00 0.00 H new ATOM 0 HB ILE A 9 10.480 19.343 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.292 22.049 4.924 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.909 21.233 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.460 19.897 6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.116 19.895 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.280 21.437 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.178 20.791 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.020 19.285 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.408 20.113 6.216 1.00 0.00 H new ATOM 184 N PHE A 10 13.227 19.359 3.070 1.00 0.00 N ATOM 185 CA PHE A 10 14.539 18.733 3.052 1.00 0.00 C ATOM 186 C PHE A 10 15.567 19.686 2.448 1.00 0.00 C ATOM 187 O PHE A 10 16.604 19.927 3.054 1.00 0.00 O ATOM 188 CB PHE A 10 14.484 17.416 2.275 1.00 0.00 C ATOM 189 CG PHE A 10 15.838 16.768 2.072 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.661 17.172 1.003 1.00 0.00 C ATOM 191 CD2 PHE A 10 16.298 15.800 2.982 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.946 16.627 0.862 1.00 0.00 C ATOM 193 CE2 PHE A 10 17.529 15.167 2.762 1.00 0.00 C ATOM 194 CZ PHE A 10 18.360 15.598 1.722 1.00 0.00 C ATOM 0 H PHE A 10 12.498 18.789 2.641 1.00 0.00 H new ATOM 0 HA PHE A 10 14.843 18.510 4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.834 16.719 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.029 17.598 1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.303 17.901 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.705 15.545 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.612 16.997 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.836 14.347 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.326 15.136 1.580 1.00 0.00 H new ATOM 204 N GLU A 11 15.288 20.238 1.265 1.00 0.00 N ATOM 205 CA GLU A 11 16.183 21.178 0.607 1.00 0.00 C ATOM 206 C GLU A 11 16.443 22.359 1.544 1.00 0.00 C ATOM 207 O GLU A 11 17.589 22.765 1.723 1.00 0.00 O ATOM 208 CB GLU A 11 15.577 21.634 -0.727 1.00 0.00 C ATOM 209 CG GLU A 11 15.618 20.507 -1.769 1.00 0.00 C ATOM 210 CD GLU A 11 14.807 20.858 -3.013 1.00 0.00 C ATOM 211 OE1 GLU A 11 13.572 20.991 -2.871 1.00 0.00 O ATOM 212 OE2 GLU A 11 15.432 20.980 -4.089 1.00 0.00 O ATOM 0 H GLU A 11 14.435 20.043 0.741 1.00 0.00 H new ATOM 0 HA GLU A 11 17.136 20.698 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.546 21.952 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.124 22.499 -1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.652 20.311 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.229 19.589 -1.328 1.00 0.00 H new ATOM 219 N LYS A 12 15.380 22.895 2.152 1.00 0.00 N ATOM 220 CA LYS A 12 15.484 24.006 3.089 1.00 0.00 C ATOM 221 C LYS A 12 16.451 23.666 4.231 1.00 0.00 C ATOM 222 O LYS A 12 17.240 24.511 4.647 1.00 0.00 O ATOM 223 CB LYS A 12 14.091 24.378 3.632 1.00 0.00 C ATOM 224 CG LYS A 12 13.891 25.892 3.788 1.00 0.00 C ATOM 225 CD LYS A 12 13.893 26.703 2.478 1.00 0.00 C ATOM 226 CE LYS A 12 12.870 26.232 1.430 1.00 0.00 C ATOM 227 NZ LYS A 12 13.376 25.134 0.584 1.00 0.00 N ATOM 0 H LYS A 12 14.425 22.567 2.005 1.00 0.00 H new ATOM 0 HA LYS A 12 15.886 24.871 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.328 23.984 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.944 23.896 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.944 26.064 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.678 26.279 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.696 27.749 2.714 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.890 26.657 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.963 25.904 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.594 27.074 0.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.143 25.327 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.408 25.061 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.934 24.239 0.876 1.00 0.00 H new ATOM 241 N TYR A 13 16.392 22.429 4.734 1.00 0.00 N ATOM 242 CA TYR A 13 17.247 21.977 5.822 1.00 0.00 C ATOM 243 C TYR A 13 18.675 21.779 5.320 1.00 0.00 C ATOM 244 O TYR A 13 19.605 22.392 5.832 1.00 0.00 O ATOM 245 CB TYR A 13 16.733 20.649 6.396 1.00 0.00 C ATOM 246 CG TYR A 13 15.650 20.750 7.447 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.546 21.609 7.281 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.767 20.001 8.631 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.583 21.727 8.297 1.00 0.00 C ATOM 250 CE2 TYR A 13 14.876 20.218 9.679 1.00 0.00 C ATOM 251 CZ TYR A 13 13.759 21.046 9.512 1.00 0.00 C ATOM 252 OH TYR A 13 12.854 21.174 10.523 1.00 0.00 O ATOM 0 H TYR A 13 15.747 21.716 4.394 1.00 0.00 H new ATOM 0 HA TYR A 13 17.232 22.737 6.603 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.355 20.043 5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.578 20.112 6.826 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.440 22.179 6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.546 19.259 8.728 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.708 22.341 8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.049 19.742 10.633 1.00 0.00 H new ATOM 0 HH TYR A 13 13.138 20.630 11.287 1.00 0.00 H new ATOM 262 N ALA A 14 18.852 20.916 4.322 1.00 0.00 N ATOM 263 CA ALA A 14 20.147 20.596 3.751 1.00 0.00 C ATOM 264 C ALA A 14 20.901 21.859 3.338 1.00 0.00 C ATOM 265 O ALA A 14 22.105 21.958 3.545 1.00 0.00 O ATOM 266 CB ALA A 14 19.965 19.611 2.594 1.00 0.00 C ATOM 0 H ALA A 14 18.081 20.413 3.883 1.00 0.00 H new ATOM 0 HA ALA A 14 20.766 20.114 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.938 19.370 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.495 18.699 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.332 20.061 1.829 1.00 0.00 H new ATOM 272 N ALA A 15 20.213 22.850 2.772 1.00 0.00 N ATOM 273 CA ALA A 15 20.860 24.094 2.378 1.00 0.00 C ATOM 274 C ALA A 15 21.482 24.864 3.555 1.00 0.00 C ATOM 275 O ALA A 15 22.250 25.794 3.324 1.00 0.00 O ATOM 276 CB ALA A 15 19.887 24.939 1.561 1.00 0.00 C ATOM 0 H ALA A 15 19.212 22.813 2.578 1.00 0.00 H new ATOM 0 HA ALA A 15 21.713 23.842 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.372 25.870 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.587 24.388 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.006 25.163 2.163 1.00 0.00 H new ATOM 282 N LYS A 16 21.186 24.493 4.808 1.00 0.00 N ATOM 283 CA LYS A 16 21.807 25.118 5.970 1.00 0.00 C ATOM 284 C LYS A 16 23.284 24.713 6.031 1.00 0.00 C ATOM 285 O LYS A 16 24.113 25.491 6.500 1.00 0.00 O ATOM 286 CB LYS A 16 21.111 24.687 7.268 1.00 0.00 C ATOM 287 CG LYS A 16 19.648 25.145 7.344 1.00 0.00 C ATOM 288 CD LYS A 16 18.902 24.454 8.498 1.00 0.00 C ATOM 289 CE LYS A 16 19.538 24.672 9.877 1.00 0.00 C ATOM 290 NZ LYS A 16 19.671 26.102 10.204 1.00 0.00 N ATOM 0 H LYS A 16 20.516 23.759 5.037 1.00 0.00 H new ATOM 0 HA LYS A 16 21.713 26.199 5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.151 23.601 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.658 25.093 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.610 26.226 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.147 24.925 6.401 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.875 24.819 8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.856 23.384 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.931 24.181 10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.521 24.202 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.042 26.204 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.325 26.552 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.740 26.561 10.140 1.00 0.00 H new ATOM 304 N GLU A 17 23.612 23.502 5.562 1.00 0.00 N ATOM 305 CA GLU A 17 24.973 22.986 5.551 1.00 0.00 C ATOM 306 C GLU A 17 25.603 23.253 4.180 1.00 0.00 C ATOM 307 O GLU A 17 24.919 23.620 3.227 1.00 0.00 O ATOM 308 CB GLU A 17 25.042 21.523 6.016 1.00 0.00 C ATOM 309 CG GLU A 17 24.054 20.649 5.257 1.00 0.00 C ATOM 310 CD GLU A 17 24.205 19.172 5.580 1.00 0.00 C ATOM 311 OE1 GLU A 17 23.798 18.794 6.702 1.00 0.00 O ATOM 312 OE2 GLU A 17 24.738 18.449 4.710 1.00 0.00 O ATOM 0 H GLU A 17 22.927 22.852 5.177 1.00 0.00 H new ATOM 0 HA GLU A 17 25.576 23.519 6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 17 26.053 21.141 5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.831 21.469 7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.039 20.966 5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 17 24.192 20.798 4.186 1.00 0.00 H new ATOM 319 N GLY A 18 26.924 23.080 4.087 1.00 0.00 N ATOM 320 CA GLY A 18 27.692 23.336 2.878 1.00 0.00 C ATOM 321 C GLY A 18 27.101 22.698 1.620 1.00 0.00 C ATOM 322 O GLY A 18 27.031 23.346 0.577 1.00 0.00 O ATOM 0 H GLY A 18 27.494 22.752 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 18 27.765 24.413 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 18 28.707 22.965 3.019 1.00 0.00 H new ATOM 326 N ASP A 19 26.694 21.430 1.708 1.00 0.00 N ATOM 327 CA ASP A 19 26.157 20.680 0.581 1.00 0.00 C ATOM 328 C ASP A 19 24.625 20.581 0.660 1.00 0.00 C ATOM 329 O ASP A 19 24.126 19.860 1.526 1.00 0.00 O ATOM 330 CB ASP A 19 26.792 19.284 0.591 1.00 0.00 C ATOM 331 CG ASP A 19 26.516 18.473 -0.669 1.00 0.00 C ATOM 332 OD1 ASP A 19 25.775 18.974 -1.544 1.00 0.00 O ATOM 333 OD2 ASP A 19 27.061 17.349 -0.730 1.00 0.00 O ATOM 0 H ASP A 19 26.730 20.893 2.575 1.00 0.00 H new ATOM 0 HA ASP A 19 26.396 21.194 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.870 19.386 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 19 26.421 18.733 1.455 1.00 0.00 H new ATOM 338 N PRO A 20 23.859 21.251 -0.223 1.00 0.00 N ATOM 339 CA PRO A 20 22.399 21.180 -0.244 1.00 0.00 C ATOM 340 C PRO A 20 21.952 19.829 -0.837 1.00 0.00 C ATOM 341 O PRO A 20 21.259 19.787 -1.851 1.00 0.00 O ATOM 342 CB PRO A 20 21.972 22.373 -1.109 1.00 0.00 C ATOM 343 CG PRO A 20 23.110 22.487 -2.120 1.00 0.00 C ATOM 344 CD PRO A 20 24.340 22.119 -1.289 1.00 0.00 C ATOM 0 HA PRO A 20 21.943 21.233 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 20 21.014 22.195 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 20 21.864 23.282 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 20 22.973 21.808 -2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 20 23.186 23.494 -2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 20 25.086 21.610 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 20 24.816 23.011 -0.881 1.00 0.00 H new ATOM 352 N ASN A 21 22.357 18.717 -0.215 1.00 0.00 N ATOM 353 CA ASN A 21 22.056 17.358 -0.664 1.00 0.00 C ATOM 354 C ASN A 21 21.799 16.384 0.490 1.00 0.00 C ATOM 355 O ASN A 21 21.240 15.314 0.245 1.00 0.00 O ATOM 356 CB ASN A 21 23.202 16.847 -1.549 1.00 0.00 C ATOM 357 CG ASN A 21 23.101 15.347 -1.826 1.00 0.00 C ATOM 358 OD1 ASN A 21 23.845 14.563 -1.241 1.00 0.00 O ATOM 359 ND2 ASN A 21 22.184 14.934 -2.696 1.00 0.00 N ATOM 0 H ASN A 21 22.918 18.740 0.637 1.00 0.00 H new ATOM 0 HA ASN A 21 21.129 17.405 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 21 23.197 17.389 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 21 24.155 17.061 -1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 21 22.082 13.939 -2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.583 15.612 -3.164 1.00 0.00 H new ATOM 366 N GLN A 22 22.183 16.712 1.727 1.00 0.00 N ATOM 367 CA GLN A 22 21.966 15.847 2.881 1.00 0.00 C ATOM 368 C GLN A 22 21.558 16.671 4.071 1.00 0.00 C ATOM 369 O GLN A 22 21.724 17.887 4.034 1.00 0.00 O ATOM 370 CB GLN A 22 23.284 15.240 3.385 1.00 0.00 C ATOM 371 CG GLN A 22 24.131 14.514 2.328 1.00 0.00 C ATOM 372 CD GLN A 22 25.418 15.254 2.016 1.00 0.00 C ATOM 373 OE1 GLN A 22 26.150 15.624 2.927 1.00 0.00 O ATOM 374 NE2 GLN A 22 25.703 15.455 0.733 1.00 0.00 N ATOM 0 H GLN A 22 22.654 17.588 1.953 1.00 0.00 H new ATOM 0 HA GLN A 22 21.236 15.106 2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.886 16.037 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 22 23.056 14.537 4.186 1.00 0.00 H new ATOM 0 HG2 GLN A 22 24.368 13.510 2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 22 23.549 14.401 1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 22 25.061 15.128 0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.563 15.936 0.471 1.00 0.00 H new ATOM 383 N LEU A 23 21.133 15.988 5.141 1.00 0.00 N ATOM 384 CA LEU A 23 20.973 16.632 6.417 1.00 0.00 C ATOM 385 C LEU A 23 21.837 15.879 7.420 1.00 0.00 C ATOM 386 O LEU A 23 21.829 14.646 7.452 1.00 0.00 O ATOM 387 CB LEU A 23 19.542 16.816 6.957 1.00 0.00 C ATOM 388 CG LEU A 23 18.337 16.384 6.127 1.00 0.00 C ATOM 389 CD1 LEU A 23 18.229 14.856 6.055 1.00 0.00 C ATOM 390 CD2 LEU A 23 17.046 16.901 6.763 1.00 0.00 C ATOM 0 H LEU A 23 20.899 14.995 5.133 1.00 0.00 H new ATOM 0 HA LEU A 23 21.287 17.664 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.486 16.283 7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.416 17.876 7.179 1.00 0.00 H new ATOM 0 HG LEU A 23 18.474 16.795 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 23 17.361 14.580 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 23 19.130 14.449 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 23 18.120 14.451 7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.193 16.586 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.949 16.496 7.770 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.075 17.990 6.811 1.00 0.00 H new ATOM 402 N SER A 24 22.586 16.618 8.235 1.00 0.00 N ATOM 403 CA SER A 24 23.404 16.071 9.299 1.00 0.00 C ATOM 404 C SER A 24 22.457 15.578 10.400 1.00 0.00 C ATOM 405 O SER A 24 21.264 15.875 10.380 1.00 0.00 O ATOM 406 CB SER A 24 24.274 17.216 9.831 1.00 0.00 C ATOM 407 OG SER A 24 23.445 18.321 10.153 1.00 0.00 O ATOM 0 H SER A 24 22.638 17.634 8.167 1.00 0.00 H new ATOM 0 HA SER A 24 24.034 15.248 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.825 16.890 10.713 1.00 0.00 H new ATOM 0 HB3 SER A 24 25.012 17.506 9.083 1.00 0.00 H new ATOM 0 HG SER A 24 23.997 19.055 10.495 1.00 0.00 H new ATOM 413 N LYS A 25 22.979 14.832 11.373 1.00 0.00 N ATOM 414 CA LYS A 25 22.204 14.316 12.496 1.00 0.00 C ATOM 415 C LYS A 25 21.303 15.378 13.131 1.00 0.00 C ATOM 416 O LYS A 25 20.105 15.175 13.298 1.00 0.00 O ATOM 417 CB LYS A 25 23.104 13.606 13.496 1.00 0.00 C ATOM 418 CG LYS A 25 24.253 14.463 14.007 1.00 0.00 C ATOM 419 CD LYS A 25 25.260 13.571 14.732 1.00 0.00 C ATOM 420 CE LYS A 25 26.239 12.901 13.758 1.00 0.00 C ATOM 421 NZ LYS A 25 27.189 12.026 14.468 1.00 0.00 N ATOM 0 H LYS A 25 23.964 14.567 11.402 1.00 0.00 H new ATOM 0 HA LYS A 25 21.515 13.567 12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.502 13.279 14.344 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.512 12.709 13.030 1.00 0.00 H new ATOM 0 HG2 LYS A 25 24.736 14.977 13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 25 23.877 15.231 14.682 1.00 0.00 H new ATOM 0 HD2 LYS A 25 25.818 14.167 15.455 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.727 12.805 15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.683 12.317 13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 25 26.787 13.665 13.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 27.837 11.588 13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 27.736 12.589 15.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 26.666 11.283 14.973 1.00 0.00 H new ATOM 435 N GLU A 26 21.893 16.520 13.475 1.00 0.00 N ATOM 436 CA GLU A 26 21.184 17.646 14.066 1.00 0.00 C ATOM 437 C GLU A 26 19.983 18.047 13.197 1.00 0.00 C ATOM 438 O GLU A 26 18.862 18.211 13.683 1.00 0.00 O ATOM 439 CB GLU A 26 22.158 18.826 14.220 1.00 0.00 C ATOM 440 CG GLU A 26 21.578 19.943 15.104 1.00 0.00 C ATOM 441 CD GLU A 26 21.983 21.325 14.598 1.00 0.00 C ATOM 442 OE1 GLU A 26 21.279 21.824 13.692 1.00 0.00 O ATOM 443 OE2 GLU A 26 22.994 21.845 15.114 1.00 0.00 O ATOM 0 H GLU A 26 22.891 16.689 13.348 1.00 0.00 H new ATOM 0 HA GLU A 26 20.804 17.359 15.046 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.093 18.470 14.653 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.396 19.230 13.236 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.491 19.866 15.123 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.925 19.814 16.129 1.00 0.00 H new ATOM 450 N GLU A 27 20.216 18.224 11.896 1.00 0.00 N ATOM 451 CA GLU A 27 19.178 18.637 10.967 1.00 0.00 C ATOM 452 C GLU A 27 18.106 17.550 10.839 1.00 0.00 C ATOM 453 O GLU A 27 16.916 17.851 10.882 1.00 0.00 O ATOM 454 CB GLU A 27 19.808 18.995 9.621 1.00 0.00 C ATOM 455 CG GLU A 27 20.706 20.239 9.715 1.00 0.00 C ATOM 456 CD GLU A 27 21.441 20.530 8.408 1.00 0.00 C ATOM 457 OE1 GLU A 27 20.996 20.004 7.366 1.00 0.00 O ATOM 458 OE2 GLU A 27 22.444 21.272 8.482 1.00 0.00 O ATOM 0 H GLU A 27 21.129 18.084 11.463 1.00 0.00 H new ATOM 0 HA GLU A 27 18.678 19.527 11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.396 18.151 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.021 19.171 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.098 21.102 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.434 20.098 10.514 1.00 0.00 H new ATOM 465 N LEU A 28 18.507 16.287 10.689 1.00 0.00 N ATOM 466 CA LEU A 28 17.568 15.177 10.555 1.00 0.00 C ATOM 467 C LEU A 28 16.682 15.115 11.793 1.00 0.00 C ATOM 468 O LEU A 28 15.463 15.021 11.682 1.00 0.00 O ATOM 469 CB LEU A 28 18.318 13.872 10.226 1.00 0.00 C ATOM 470 CG LEU A 28 18.521 12.848 11.352 1.00 0.00 C ATOM 471 CD1 LEU A 28 17.279 11.997 11.661 1.00 0.00 C ATOM 472 CD2 LEU A 28 19.638 11.890 10.947 1.00 0.00 C ATOM 0 H LEU A 28 19.487 16.007 10.657 1.00 0.00 H new ATOM 0 HA LEU A 28 16.897 15.333 9.710 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.783 13.375 9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.301 14.141 9.840 1.00 0.00 H new ATOM 0 HG LEU A 28 18.755 13.425 12.247 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.507 11.300 12.467 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.459 12.647 11.965 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.989 11.439 10.770 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.793 11.157 11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 28 19.361 11.377 10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 28 20.559 12.451 10.787 1.00 0.00 H new ATOM 484 N LYS A 29 17.301 15.184 12.972 1.00 0.00 N ATOM 485 CA LYS A 29 16.592 15.180 14.241 1.00 0.00 C ATOM 486 C LYS A 29 15.517 16.262 14.198 1.00 0.00 C ATOM 487 O LYS A 29 14.343 15.989 14.452 1.00 0.00 O ATOM 488 CB LYS A 29 17.581 15.412 15.393 1.00 0.00 C ATOM 489 CG LYS A 29 16.886 15.706 16.730 1.00 0.00 C ATOM 490 CD LYS A 29 16.005 14.531 17.180 1.00 0.00 C ATOM 491 CE LYS A 29 15.510 14.752 18.613 1.00 0.00 C ATOM 492 NZ LYS A 29 14.611 13.667 19.042 1.00 0.00 N ATOM 0 H LYS A 29 18.315 15.244 13.068 1.00 0.00 H new ATOM 0 HA LYS A 29 16.114 14.215 14.410 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.213 14.531 15.505 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.237 16.245 15.140 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.636 15.912 17.493 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.275 16.603 16.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.154 14.428 16.507 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.571 13.601 17.123 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.363 14.810 19.290 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.988 15.707 18.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 14.293 13.845 20.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.786 13.629 18.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.119 12.760 19.004 1.00 0.00 H new ATOM 506 N GLN A 30 15.920 17.494 13.872 1.00 0.00 N ATOM 507 CA GLN A 30 14.973 18.591 13.789 1.00 0.00 C ATOM 508 C GLN A 30 13.850 18.234 12.810 1.00 0.00 C ATOM 509 O GLN A 30 12.676 18.415 13.127 1.00 0.00 O ATOM 510 CB GLN A 30 15.684 19.893 13.412 1.00 0.00 C ATOM 511 CG GLN A 30 16.449 20.417 14.628 1.00 0.00 C ATOM 512 CD GLN A 30 17.472 21.479 14.249 1.00 0.00 C ATOM 513 OE1 GLN A 30 17.259 22.671 14.441 1.00 0.00 O ATOM 514 NE2 GLN A 30 18.597 21.033 13.707 1.00 0.00 N ATOM 0 H GLN A 30 16.886 17.747 13.665 1.00 0.00 H new ATOM 0 HA GLN A 30 14.520 18.754 14.767 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.370 19.720 12.583 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.958 20.634 13.077 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.744 20.834 15.347 1.00 0.00 H new ATOM 0 HG3 GLN A 30 16.955 19.588 15.122 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.733 20.032 13.565 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.326 21.691 13.432 1.00 0.00 H new ATOM 523 N LEU A 31 14.193 17.718 11.624 1.00 0.00 N ATOM 524 CA LEU A 31 13.179 17.301 10.664 1.00 0.00 C ATOM 525 C LEU A 31 12.163 16.354 11.292 1.00 0.00 C ATOM 526 O LEU A 31 10.955 16.540 11.170 1.00 0.00 O ATOM 527 CB LEU A 31 13.805 16.727 9.385 1.00 0.00 C ATOM 528 CG LEU A 31 12.753 16.420 8.305 1.00 0.00 C ATOM 529 CD1 LEU A 31 11.918 17.649 7.933 1.00 0.00 C ATOM 530 CD2 LEU A 31 13.455 15.925 7.042 1.00 0.00 C ATOM 0 H LEU A 31 15.155 17.582 11.313 1.00 0.00 H new ATOM 0 HA LEU A 31 12.629 18.193 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.532 17.436 8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.350 15.815 9.628 1.00 0.00 H new ATOM 0 HG LEU A 31 12.085 15.663 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.191 17.377 7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.395 18.014 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.573 18.432 7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.712 15.707 6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.136 16.695 6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.018 15.020 7.270 1.00 0.00 H new ATOM 542 N ILE A 32 12.669 15.346 11.987 1.00 0.00 N ATOM 543 CA ILE A 32 11.838 14.361 12.675 1.00 0.00 C ATOM 544 C ILE A 32 10.881 15.077 13.616 1.00 0.00 C ATOM 545 O ILE A 32 9.671 14.850 13.593 1.00 0.00 O ATOM 546 CB ILE A 32 12.665 13.264 13.376 1.00 0.00 C ATOM 547 CG1 ILE A 32 13.438 12.381 12.378 1.00 0.00 C ATOM 548 CG2 ILE A 32 11.776 12.395 14.280 1.00 0.00 C ATOM 549 CD1 ILE A 32 12.568 11.422 11.560 1.00 0.00 C ATOM 0 H ILE A 32 13.671 15.185 12.092 1.00 0.00 H new ATOM 0 HA ILE A 32 11.250 13.825 11.930 1.00 0.00 H new ATOM 0 HB ILE A 32 13.402 13.778 13.994 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.986 13.027 11.692 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.178 11.799 12.927 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.385 11.630 14.762 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.310 13.020 15.041 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.002 11.918 13.679 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.199 10.843 10.886 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.040 10.746 12.233 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.845 11.993 10.978 1.00 0.00 H new ATOM 561 N GLN A 33 11.446 15.960 14.426 1.00 0.00 N ATOM 562 CA GLN A 33 10.685 16.762 15.377 1.00 0.00 C ATOM 563 C GLN A 33 9.571 17.523 14.651 1.00 0.00 C ATOM 564 O GLN A 33 8.438 17.552 15.123 1.00 0.00 O ATOM 565 CB GLN A 33 11.569 17.738 16.164 1.00 0.00 C ATOM 566 CG GLN A 33 12.514 17.036 17.143 1.00 0.00 C ATOM 567 CD GLN A 33 13.385 18.057 17.866 1.00 0.00 C ATOM 568 OE1 GLN A 33 14.585 18.144 17.630 1.00 0.00 O ATOM 569 NE2 GLN A 33 12.793 18.845 18.759 1.00 0.00 N ATOM 0 H GLN A 33 12.449 16.142 14.443 1.00 0.00 H new ATOM 0 HA GLN A 33 10.247 16.074 16.100 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.156 18.332 15.464 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.933 18.431 16.715 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.936 16.463 17.868 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.144 16.327 16.605 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.793 18.753 18.937 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.339 19.542 19.266 1.00 0.00 H new ATOM 578 N ALA A 34 9.891 18.138 13.512 1.00 0.00 N ATOM 579 CA ALA A 34 8.938 18.907 12.727 1.00 0.00 C ATOM 580 C ALA A 34 7.820 18.039 12.136 1.00 0.00 C ATOM 581 O ALA A 34 6.653 18.410 12.219 1.00 0.00 O ATOM 582 CB ALA A 34 9.679 19.674 11.628 1.00 0.00 C ATOM 0 H ALA A 34 10.828 18.113 13.109 1.00 0.00 H new ATOM 0 HA ALA A 34 8.450 19.614 13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.964 20.250 11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.404 20.350 12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.198 18.969 10.979 1.00 0.00 H new ATOM 588 N GLU A 35 8.159 16.898 11.526 1.00 0.00 N ATOM 589 CA GLU A 35 7.165 16.045 10.880 1.00 0.00 C ATOM 590 C GLU A 35 6.317 15.245 11.876 1.00 0.00 C ATOM 591 O GLU A 35 5.116 15.083 11.663 1.00 0.00 O ATOM 592 CB GLU A 35 7.836 15.097 9.872 1.00 0.00 C ATOM 593 CG GLU A 35 8.661 15.808 8.786 1.00 0.00 C ATOM 594 CD GLU A 35 7.910 16.924 8.065 1.00 0.00 C ATOM 595 OE1 GLU A 35 6.735 16.687 7.708 1.00 0.00 O ATOM 596 OE2 GLU A 35 8.528 17.992 7.870 1.00 0.00 O ATOM 0 H GLU A 35 9.115 16.547 11.468 1.00 0.00 H new ATOM 0 HA GLU A 35 6.484 16.714 10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.486 14.410 10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.066 14.494 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.559 16.224 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.988 15.071 8.052 1.00 0.00 H new ATOM 603 N PHE A 36 6.922 14.735 12.950 1.00 0.00 N ATOM 604 CA PHE A 36 6.241 13.942 13.963 1.00 0.00 C ATOM 605 C PHE A 36 7.126 13.834 15.215 1.00 0.00 C ATOM 606 O PHE A 36 8.004 12.976 15.263 1.00 0.00 O ATOM 607 CB PHE A 36 5.740 12.583 13.433 1.00 0.00 C ATOM 608 CG PHE A 36 6.550 11.764 12.438 1.00 0.00 C ATOM 609 CD1 PHE A 36 7.955 11.820 12.374 1.00 0.00 C ATOM 610 CD2 PHE A 36 5.867 10.777 11.697 1.00 0.00 C ATOM 611 CE1 PHE A 36 8.667 10.870 11.620 1.00 0.00 C ATOM 612 CE2 PHE A 36 6.578 9.817 10.959 1.00 0.00 C ATOM 613 CZ PHE A 36 7.982 9.850 10.938 1.00 0.00 C ATOM 0 H PHE A 36 7.916 14.866 13.139 1.00 0.00 H new ATOM 0 HA PHE A 36 5.326 14.460 14.250 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.572 11.947 14.303 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.767 12.762 12.976 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.488 12.595 12.905 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.787 10.760 11.697 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.744 10.925 11.565 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.046 9.055 10.409 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.534 9.094 10.399 1.00 0.00 H new ATOM 753 N THR A 45 10.920 3.588 16.071 1.00 0.00 N ATOM 754 CA THR A 45 12.215 3.995 15.586 1.00 0.00 C ATOM 755 C THR A 45 12.322 5.495 15.325 1.00 0.00 C ATOM 756 O THR A 45 11.806 6.008 14.335 1.00 0.00 O ATOM 757 CB THR A 45 12.523 3.239 14.294 1.00 0.00 C ATOM 758 OG1 THR A 45 12.803 1.888 14.601 1.00 0.00 O ATOM 759 CG2 THR A 45 13.717 3.889 13.594 1.00 0.00 C ATOM 0 HA THR A 45 12.936 3.758 16.368 1.00 0.00 H new ATOM 0 HB THR A 45 11.663 3.279 13.625 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.436 1.528 13.945 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.936 3.350 12.673 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.480 4.927 13.359 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.587 3.855 14.250 1.00 0.00 H new ATOM 767 N LEU A 46 13.062 6.172 16.198 1.00 0.00 N ATOM 768 CA LEU A 46 13.450 7.551 15.979 1.00 0.00 C ATOM 769 C LEU A 46 14.827 7.470 15.305 1.00 0.00 C ATOM 770 O LEU A 46 15.072 8.136 14.303 1.00 0.00 O ATOM 771 CB LEU A 46 13.469 8.323 17.308 1.00 0.00 C ATOM 772 CG LEU A 46 13.248 9.839 17.141 1.00 0.00 C ATOM 773 CD1 LEU A 46 13.105 10.469 18.530 1.00 0.00 C ATOM 774 CD2 LEU A 46 14.386 10.543 16.392 1.00 0.00 C ATOM 0 H LEU A 46 13.406 5.777 17.073 1.00 0.00 H new ATOM 0 HA LEU A 46 12.749 8.099 15.349 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.696 7.921 17.964 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.426 8.156 17.803 1.00 0.00 H new ATOM 0 HG LEU A 46 12.347 9.968 16.542 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.948 11.543 18.428 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.253 10.025 19.045 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.012 10.288 19.107 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.164 11.607 16.311 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.320 10.407 16.938 1.00 0.00 H new ATOM 0 HD23 LEU A 46 14.484 10.116 15.394 1.00 0.00 H new ATOM 786 N ASP A 47 15.726 6.637 15.866 1.00 0.00 N ATOM 787 CA ASP A 47 17.112 6.496 15.420 1.00 0.00 C ATOM 788 C ASP A 47 17.509 5.295 14.568 1.00 0.00 C ATOM 789 O ASP A 47 18.388 5.447 13.721 1.00 0.00 O ATOM 790 CB ASP A 47 18.043 6.673 16.631 1.00 0.00 C ATOM 791 CG ASP A 47 19.496 6.295 16.342 1.00 0.00 C ATOM 792 OD1 ASP A 47 19.814 5.098 16.515 1.00 0.00 O ATOM 793 OD2 ASP A 47 20.258 7.205 15.957 1.00 0.00 O ATOM 0 H ASP A 47 15.497 6.035 16.657 1.00 0.00 H new ATOM 0 HA ASP A 47 17.225 7.291 14.683 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.004 7.711 16.961 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.674 6.063 17.455 1.00 0.00 H new ATOM 798 N ASP A 48 16.910 4.120 14.744 1.00 0.00 N ATOM 799 CA ASP A 48 17.243 2.969 13.906 1.00 0.00 C ATOM 800 C ASP A 48 17.252 3.357 12.408 1.00 0.00 C ATOM 801 O ASP A 48 18.163 2.990 11.669 1.00 0.00 O ATOM 802 CB ASP A 48 16.311 1.799 14.271 1.00 0.00 C ATOM 803 CG ASP A 48 16.027 0.852 13.108 1.00 0.00 C ATOM 804 OD1 ASP A 48 17.000 0.240 12.618 1.00 0.00 O ATOM 805 OD2 ASP A 48 14.832 0.750 12.749 1.00 0.00 O ATOM 0 H ASP A 48 16.198 3.939 15.452 1.00 0.00 H new ATOM 0 HA ASP A 48 18.260 2.627 14.100 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.757 1.232 15.088 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.367 2.200 14.640 1.00 0.00 H new ATOM 810 N LEU A 49 16.259 4.140 11.969 1.00 0.00 N ATOM 811 CA LEU A 49 16.133 4.591 10.589 1.00 0.00 C ATOM 812 C LEU A 49 17.248 5.561 10.224 1.00 0.00 C ATOM 813 O LEU A 49 17.689 5.588 9.078 1.00 0.00 O ATOM 814 CB LEU A 49 14.721 5.125 10.295 1.00 0.00 C ATOM 815 CG LEU A 49 14.271 6.430 10.986 1.00 0.00 C ATOM 816 CD1 LEU A 49 14.896 7.691 10.377 1.00 0.00 C ATOM 817 CD2 LEU A 49 12.748 6.552 10.825 1.00 0.00 C ATOM 0 H LEU A 49 15.513 4.480 12.576 1.00 0.00 H new ATOM 0 HA LEU A 49 16.259 3.731 9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.640 5.275 9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.009 4.345 10.563 1.00 0.00 H new ATOM 0 HG LEU A 49 14.591 6.368 12.026 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.536 8.570 10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.981 7.636 10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.616 7.765 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.404 7.468 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.495 6.581 9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.263 5.694 11.290 1.00 0.00 H new ATOM 829 N PHE A 50 17.725 6.346 11.196 1.00 0.00 N ATOM 830 CA PHE A 50 18.821 7.264 10.958 1.00 0.00 C ATOM 831 C PHE A 50 20.023 6.384 10.676 1.00 0.00 C ATOM 832 O PHE A 50 20.618 6.492 9.612 1.00 0.00 O ATOM 833 CB PHE A 50 19.067 8.200 12.156 1.00 0.00 C ATOM 834 CG PHE A 50 20.440 8.855 12.227 1.00 0.00 C ATOM 835 CD1 PHE A 50 21.166 9.168 11.060 1.00 0.00 C ATOM 836 CD2 PHE A 50 20.985 9.188 13.482 1.00 0.00 C ATOM 837 CE1 PHE A 50 22.443 9.743 11.156 1.00 0.00 C ATOM 838 CE2 PHE A 50 22.287 9.706 13.579 1.00 0.00 C ATOM 839 CZ PHE A 50 23.029 9.954 12.414 1.00 0.00 C ATOM 0 H PHE A 50 17.364 6.357 12.150 1.00 0.00 H new ATOM 0 HA PHE A 50 18.605 7.932 10.124 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.313 8.987 12.137 1.00 0.00 H new ATOM 0 HB3 PHE A 50 18.911 7.631 13.073 1.00 0.00 H new ATOM 0 HD1 PHE A 50 20.739 8.965 10.089 1.00 0.00 H new ATOM 0 HD2 PHE A 50 20.397 9.044 14.377 1.00 0.00 H new ATOM 0 HE1 PHE A 50 22.976 10.024 10.260 1.00 0.00 H new ATOM 0 HE2 PHE A 50 22.716 9.913 14.548 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.048 10.306 12.485 1.00 0.00 H new ATOM 849 N GLN A 51 20.372 5.508 11.619 1.00 0.00 N ATOM 850 CA GLN A 51 21.533 4.651 11.467 1.00 0.00 C ATOM 851 C GLN A 51 21.515 3.871 10.156 1.00 0.00 C ATOM 852 O GLN A 51 22.510 3.890 9.431 1.00 0.00 O ATOM 853 CB GLN A 51 21.733 3.787 12.717 1.00 0.00 C ATOM 854 CG GLN A 51 22.071 4.648 13.946 1.00 0.00 C ATOM 855 CD GLN A 51 23.398 5.384 13.768 1.00 0.00 C ATOM 856 OE1 GLN A 51 24.456 4.836 14.057 1.00 0.00 O ATOM 857 NE2 GLN A 51 23.364 6.626 13.290 1.00 0.00 N ATOM 0 H GLN A 51 19.863 5.378 12.493 1.00 0.00 H new ATOM 0 HA GLN A 51 22.419 5.281 11.388 1.00 0.00 H new ATOM 0 HB2 GLN A 51 20.828 3.211 12.912 1.00 0.00 H new ATOM 0 HB3 GLN A 51 22.535 3.070 12.541 1.00 0.00 H new ATOM 0 HG2 GLN A 51 21.273 5.371 14.115 1.00 0.00 H new ATOM 0 HG3 GLN A 51 22.121 4.015 14.832 1.00 0.00 H new ATOM 0 HE21 GLN A 51 22.470 7.059 13.057 1.00 0.00 H new ATOM 0 HE22 GLN A 51 24.232 7.145 13.156 1.00 0.00 H new ATOM 866 N GLU A 52 20.396 3.225 9.820 1.00 0.00 N ATOM 867 CA GLU A 52 20.273 2.503 8.555 1.00 0.00 C ATOM 868 C GLU A 52 20.624 3.383 7.340 1.00 0.00 C ATOM 869 O GLU A 52 20.988 2.853 6.292 1.00 0.00 O ATOM 870 CB GLU A 52 18.848 1.949 8.416 1.00 0.00 C ATOM 871 CG GLU A 52 18.598 0.768 9.365 1.00 0.00 C ATOM 872 CD GLU A 52 17.136 0.325 9.350 1.00 0.00 C ATOM 873 OE1 GLU A 52 16.276 1.172 9.675 1.00 0.00 O ATOM 874 OE2 GLU A 52 16.903 -0.851 8.998 1.00 0.00 O ATOM 0 H GLU A 52 19.563 3.188 10.407 1.00 0.00 H new ATOM 0 HA GLU A 52 20.991 1.683 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 52 18.129 2.741 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.681 1.630 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.234 -0.069 9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.881 1.051 10.379 1.00 0.00 H new ATOM 881 N LEU A 53 20.506 4.710 7.465 1.00 0.00 N ATOM 882 CA LEU A 53 20.750 5.683 6.408 1.00 0.00 C ATOM 883 C LEU A 53 21.876 6.674 6.767 1.00 0.00 C ATOM 884 O LEU A 53 22.041 7.683 6.082 1.00 0.00 O ATOM 885 CB LEU A 53 19.418 6.419 6.184 1.00 0.00 C ATOM 886 CG LEU A 53 18.215 5.503 5.883 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.939 6.352 5.831 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.367 4.725 4.570 1.00 0.00 C ATOM 0 H LEU A 53 20.226 5.147 8.343 1.00 0.00 H new ATOM 0 HA LEU A 53 21.088 5.178 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.193 7.011 7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.540 7.118 5.357 1.00 0.00 H new ATOM 0 HG LEU A 53 18.160 4.765 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.084 5.711 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.792 6.847 6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.033 7.103 5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.489 4.099 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.464 5.426 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.256 4.097 4.620 1.00 0.00 H new ATOM 900 N ASP A 54 22.653 6.422 7.827 1.00 0.00 N ATOM 901 CA ASP A 54 23.681 7.335 8.324 1.00 0.00 C ATOM 902 C ASP A 54 24.921 7.431 7.438 1.00 0.00 C ATOM 903 O ASP A 54 26.002 6.988 7.820 1.00 0.00 O ATOM 904 CB ASP A 54 24.025 6.965 9.776 1.00 0.00 C ATOM 905 CG ASP A 54 25.024 7.891 10.469 1.00 0.00 C ATOM 906 OD1 ASP A 54 25.303 8.977 9.918 1.00 0.00 O ATOM 907 OD2 ASP A 54 25.449 7.522 11.588 1.00 0.00 O ATOM 0 H ASP A 54 22.581 5.562 8.371 1.00 0.00 H new ATOM 0 HA ASP A 54 23.264 8.341 8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 54 23.103 6.952 10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 54 24.425 5.951 9.790 1.00 0.00 H new ATOM 974 N GLU A 60 24.856 14.311 6.932 1.00 0.00 N ATOM 975 CA GLU A 60 24.609 12.909 7.240 1.00 0.00 C ATOM 976 C GLU A 60 23.867 12.187 6.119 1.00 0.00 C ATOM 977 O GLU A 60 24.449 11.669 5.166 1.00 0.00 O ATOM 978 CB GLU A 60 24.041 12.564 8.642 1.00 0.00 C ATOM 979 CG GLU A 60 25.096 12.229 9.719 1.00 0.00 C ATOM 980 CD GLU A 60 26.066 13.332 10.129 1.00 0.00 C ATOM 981 OE1 GLU A 60 25.577 14.381 10.602 1.00 0.00 O ATOM 982 OE2 GLU A 60 27.287 13.079 10.043 1.00 0.00 O ATOM 0 HA GLU A 60 25.622 12.513 7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 60 23.445 13.407 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 60 23.365 11.715 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 60 24.569 11.897 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 60 25.682 11.382 9.362 1.00 0.00 H new ATOM 989 N VAL A 61 22.553 12.159 6.277 1.00 0.00 N ATOM 990 CA VAL A 61 21.631 11.415 5.437 1.00 0.00 C ATOM 991 C VAL A 61 21.363 12.185 4.148 1.00 0.00 C ATOM 992 O VAL A 61 20.818 13.286 4.189 1.00 0.00 O ATOM 993 CB VAL A 61 20.350 11.073 6.224 1.00 0.00 C ATOM 994 CG1 VAL A 61 19.559 9.985 5.496 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.667 10.563 7.638 1.00 0.00 C ATOM 0 H VAL A 61 22.083 12.673 7.022 1.00 0.00 H new ATOM 0 HA VAL A 61 22.076 10.463 5.145 1.00 0.00 H new ATOM 0 HB VAL A 61 19.768 11.992 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.657 9.752 6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 61 19.284 10.338 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 61 20.172 9.088 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.737 10.333 8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.278 9.663 7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.211 11.331 8.188 1.00 0.00 H new ATOM 1005 N SER A 62 21.760 11.607 3.013 1.00 0.00 N ATOM 1006 CA SER A 62 21.622 12.192 1.689 1.00 0.00 C ATOM 1007 C SER A 62 20.185 12.144 1.196 1.00 0.00 C ATOM 1008 O SER A 62 19.392 11.379 1.732 1.00 0.00 O ATOM 1009 CB SER A 62 22.517 11.396 0.737 1.00 0.00 C ATOM 1010 OG SER A 62 21.979 10.088 0.617 1.00 0.00 O ATOM 0 H SER A 62 22.201 10.687 2.996 1.00 0.00 H new ATOM 0 HA SER A 62 21.914 13.241 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.561 11.880 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.537 11.355 1.119 1.00 0.00 H new ATOM 0 HG SER A 62 22.701 9.429 0.692 1.00 0.00 H new ATOM 1016 N PHE A 63 19.837 12.928 0.171 1.00 0.00 N ATOM 1017 CA PHE A 63 18.501 12.859 -0.416 1.00 0.00 C ATOM 1018 C PHE A 63 18.239 11.423 -0.888 1.00 0.00 C ATOM 1019 O PHE A 63 17.157 10.861 -0.694 1.00 0.00 O ATOM 1020 CB PHE A 63 18.351 13.853 -1.572 1.00 0.00 C ATOM 1021 CG PHE A 63 16.932 13.901 -2.109 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.899 14.406 -1.298 1.00 0.00 C ATOM 1023 CD2 PHE A 63 16.616 13.295 -3.340 1.00 0.00 C ATOM 1024 CE1 PHE A 63 14.558 14.293 -1.704 1.00 0.00 C ATOM 1025 CE2 PHE A 63 15.276 13.200 -3.756 1.00 0.00 C ATOM 1026 CZ PHE A 63 14.246 13.690 -2.934 1.00 0.00 C ATOM 0 H PHE A 63 20.457 13.611 -0.264 1.00 0.00 H new ATOM 0 HA PHE A 63 17.763 13.133 0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 63 18.643 14.847 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 63 19.033 13.577 -2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 63 16.138 14.883 -0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 63 17.404 12.903 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.768 14.669 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 63 15.038 12.750 -4.708 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.216 13.603 -3.248 1.00 0.00 H new ATOM 1036 N GLU A 64 19.264 10.828 -1.506 1.00 0.00 N ATOM 1037 CA GLU A 64 19.255 9.463 -2.006 1.00 0.00 C ATOM 1038 C GLU A 64 18.750 8.511 -0.918 1.00 0.00 C ATOM 1039 O GLU A 64 17.763 7.806 -1.116 1.00 0.00 O ATOM 1040 CB GLU A 64 20.653 9.054 -2.501 1.00 0.00 C ATOM 1041 CG GLU A 64 21.243 10.003 -3.559 1.00 0.00 C ATOM 1042 CD GLU A 64 22.040 11.149 -2.938 1.00 0.00 C ATOM 1043 OE1 GLU A 64 23.246 10.941 -2.696 1.00 0.00 O ATOM 1044 OE2 GLU A 64 21.420 12.207 -2.686 1.00 0.00 O ATOM 0 H GLU A 64 20.150 11.305 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 64 18.576 9.403 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.331 9.010 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.600 8.048 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.889 9.437 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.435 10.413 -4.165 1.00 0.00 H new ATOM 1051 N GLU A 65 19.422 8.498 0.237 1.00 0.00 N ATOM 1052 CA GLU A 65 19.053 7.618 1.337 1.00 0.00 C ATOM 1053 C GLU A 65 17.744 8.070 2.003 1.00 0.00 C ATOM 1054 O GLU A 65 16.856 7.260 2.263 1.00 0.00 O ATOM 1055 CB GLU A 65 20.231 7.513 2.319 1.00 0.00 C ATOM 1056 CG GLU A 65 21.274 6.489 1.843 1.00 0.00 C ATOM 1057 CD GLU A 65 21.994 6.889 0.558 1.00 0.00 C ATOM 1058 OE1 GLU A 65 22.992 7.636 0.670 1.00 0.00 O ATOM 1059 OE2 GLU A 65 21.538 6.443 -0.516 1.00 0.00 O ATOM 0 H GLU A 65 20.228 9.093 0.430 1.00 0.00 H new ATOM 0 HA GLU A 65 18.851 6.617 0.955 1.00 0.00 H new ATOM 0 HB2 GLU A 65 20.703 8.490 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.861 7.226 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 65 22.013 6.345 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 65 20.781 5.529 1.688 1.00 0.00 H new ATOM 1066 N PHE A 66 17.626 9.370 2.273 1.00 0.00 N ATOM 1067 CA PHE A 66 16.482 10.036 2.894 1.00 0.00 C ATOM 1068 C PHE A 66 15.153 9.576 2.302 1.00 0.00 C ATOM 1069 O PHE A 66 14.181 9.435 3.038 1.00 0.00 O ATOM 1070 CB PHE A 66 16.638 11.551 2.747 1.00 0.00 C ATOM 1071 CG PHE A 66 15.430 12.383 3.127 1.00 0.00 C ATOM 1072 CD1 PHE A 66 15.021 12.457 4.469 1.00 0.00 C ATOM 1073 CD2 PHE A 66 14.729 13.101 2.139 1.00 0.00 C ATOM 1074 CE1 PHE A 66 13.911 13.245 4.822 1.00 0.00 C ATOM 1075 CE2 PHE A 66 13.659 13.937 2.502 1.00 0.00 C ATOM 1076 CZ PHE A 66 13.247 14.005 3.844 1.00 0.00 C ATOM 0 H PHE A 66 18.374 10.027 2.050 1.00 0.00 H new ATOM 0 HA PHE A 66 16.466 9.765 3.950 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.482 11.871 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.895 11.771 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.559 11.909 5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.014 13.009 1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.568 13.266 5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.154 14.526 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.420 14.641 4.124 1.00 0.00 H new ATOM 1086 N GLN A 67 15.081 9.329 0.993 1.00 0.00 N ATOM 1087 CA GLN A 67 13.848 8.845 0.382 1.00 0.00 C ATOM 1088 C GLN A 67 13.274 7.622 1.127 1.00 0.00 C ATOM 1089 O GLN A 67 12.056 7.474 1.225 1.00 0.00 O ATOM 1090 CB GLN A 67 14.070 8.606 -1.113 1.00 0.00 C ATOM 1091 CG GLN A 67 14.056 9.962 -1.834 1.00 0.00 C ATOM 1092 CD GLN A 67 14.748 9.886 -3.186 1.00 0.00 C ATOM 1093 OE1 GLN A 67 14.106 9.756 -4.223 1.00 0.00 O ATOM 1094 NE2 GLN A 67 16.071 9.978 -3.179 1.00 0.00 N ATOM 0 H GLN A 67 15.856 9.456 0.343 1.00 0.00 H new ATOM 0 HA GLN A 67 13.079 9.612 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.021 8.100 -1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.290 7.957 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.026 10.291 -1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.550 10.709 -1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.570 10.085 -2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.589 9.941 -4.057 1.00 0.00 H new ATOM 1103 N VAL A 68 14.126 6.753 1.687 1.00 0.00 N ATOM 1104 CA VAL A 68 13.672 5.599 2.460 1.00 0.00 C ATOM 1105 C VAL A 68 12.972 6.085 3.739 1.00 0.00 C ATOM 1106 O VAL A 68 11.983 5.499 4.173 1.00 0.00 O ATOM 1107 CB VAL A 68 14.862 4.671 2.768 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.424 3.451 3.589 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.520 4.178 1.472 1.00 0.00 C ATOM 0 H VAL A 68 15.140 6.832 1.616 1.00 0.00 H new ATOM 0 HA VAL A 68 12.951 5.021 1.882 1.00 0.00 H new ATOM 0 HB VAL A 68 15.577 5.255 3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.288 2.817 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.992 3.784 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.680 2.884 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.358 3.524 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.789 3.627 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.881 5.032 0.899 1.00 0.00 H new ATOM 1119 N LEU A 69 13.475 7.170 4.334 1.00 0.00 N ATOM 1120 CA LEU A 69 12.911 7.784 5.527 1.00 0.00 C ATOM 1121 C LEU A 69 11.541 8.334 5.138 1.00 0.00 C ATOM 1122 O LEU A 69 10.521 7.958 5.715 1.00 0.00 O ATOM 1123 CB LEU A 69 13.876 8.875 6.033 1.00 0.00 C ATOM 1124 CG LEU A 69 13.550 9.403 7.431 1.00 0.00 C ATOM 1125 CD1 LEU A 69 14.780 10.130 7.990 1.00 0.00 C ATOM 1126 CD2 LEU A 69 12.361 10.365 7.456 1.00 0.00 C ATOM 0 H LEU A 69 14.304 7.653 3.988 1.00 0.00 H new ATOM 0 HA LEU A 69 12.784 7.076 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.890 8.474 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.864 9.708 5.331 1.00 0.00 H new ATOM 0 HG LEU A 69 13.279 8.540 8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.556 10.510 8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.619 9.436 8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.040 10.961 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.186 10.700 8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.576 11.226 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.472 9.855 7.084 1.00 0.00 H new ATOM 1138 N VAL A 70 11.544 9.217 4.137 1.00 0.00 N ATOM 1139 CA VAL A 70 10.366 9.856 3.545 1.00 0.00 C ATOM 1140 C VAL A 70 9.204 8.871 3.434 1.00 0.00 C ATOM 1141 O VAL A 70 8.107 9.167 3.905 1.00 0.00 O ATOM 1142 CB VAL A 70 10.704 10.438 2.160 1.00 0.00 C ATOM 1143 CG1 VAL A 70 9.472 10.803 1.323 1.00 0.00 C ATOM 1144 CG2 VAL A 70 11.588 11.674 2.309 1.00 0.00 C ATOM 0 H VAL A 70 12.411 9.521 3.695 1.00 0.00 H new ATOM 0 HA VAL A 70 10.062 10.670 4.203 1.00 0.00 H new ATOM 0 HB VAL A 70 11.229 9.646 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.791 11.206 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.866 9.912 1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.881 11.551 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.820 12.076 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.063 12.429 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.513 11.401 2.816 1.00 0.00 H new ATOM 1154 N LYS A 71 9.445 7.710 2.812 1.00 0.00 N ATOM 1155 CA LYS A 71 8.428 6.679 2.630 1.00 0.00 C ATOM 1156 C LYS A 71 7.631 6.385 3.911 1.00 0.00 C ATOM 1157 O LYS A 71 6.439 6.101 3.833 1.00 0.00 O ATOM 1158 CB LYS A 71 9.070 5.391 2.096 1.00 0.00 C ATOM 1159 CG LYS A 71 9.734 5.586 0.725 1.00 0.00 C ATOM 1160 CD LYS A 71 9.185 4.604 -0.317 1.00 0.00 C ATOM 1161 CE LYS A 71 9.838 4.823 -1.689 1.00 0.00 C ATOM 1162 NZ LYS A 71 11.296 4.611 -1.650 1.00 0.00 N ATOM 0 H LYS A 71 10.354 7.463 2.422 1.00 0.00 H new ATOM 0 HA LYS A 71 7.716 7.066 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.815 5.038 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.309 4.615 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.570 6.608 0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.811 5.451 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.364 3.581 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.105 4.727 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.393 4.142 -2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.629 5.836 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.669 4.585 -2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.746 5.389 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.503 3.709 -1.175 1.00 0.00 H new