USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=10 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 25 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 51 GLN : amide:sc= 1.57 K(o=2.8,f=-3.2) USER MOD Single : A 7 LYS NZ :NH3+ 142:sc= 0.0379 (180deg=-0.154) USER MOD Single : A 8 SER OG : rot 74:sc= 1.15 USER MOD Single : A 12 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0259) USER MOD Single : A 13 TYR OH : rot 28:sc= 1.23 USER MOD Single : A 16 LYS NZ :NH3+ -123:sc= -0.116 (180deg=-1.14) USER MOD Single : A 21 ASN : amide:sc= 0.177 K(o=0.18,f=-2.6!) USER MOD Single : A 22 GLN : amide:sc= 1.15 K(o=1.2,f=-1.6) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= -0.0241 (180deg=-0.154) USER MOD Single : A 30 GLN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.022) USER MOD Single : A 45 THR OG1 : rot 36:sc= 0.218 USER MOD Single : A 62 SER OG : rot -71:sc= 0.933 USER MOD Single : A 67 GLN : amide:sc= 0.73 K(o=0.73,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 3 5.643 13.987 -1.137 1.00 0.00 N ATOM 75 CA PRO A 3 7.029 13.950 -1.573 1.00 0.00 C ATOM 76 C PRO A 3 7.611 15.328 -1.877 1.00 0.00 C ATOM 77 O PRO A 3 8.608 15.708 -1.276 1.00 0.00 O ATOM 78 CB PRO A 3 7.059 13.024 -2.791 1.00 0.00 C ATOM 79 CG PRO A 3 5.941 12.037 -2.473 1.00 0.00 C ATOM 80 CD PRO A 3 4.896 12.906 -1.771 1.00 0.00 C ATOM 0 HA PRO A 3 7.667 13.577 -0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.873 13.565 -3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.023 12.526 -2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.541 11.577 -3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.289 11.228 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.170 13.297 -2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.339 12.329 -1.032 1.00 0.00 H new ATOM 88 N ALA A 4 7.000 16.079 -2.801 1.00 0.00 N ATOM 89 CA ALA A 4 7.479 17.398 -3.199 1.00 0.00 C ATOM 90 C ALA A 4 7.733 18.328 -2.020 1.00 0.00 C ATOM 91 O ALA A 4 8.775 18.975 -1.907 1.00 0.00 O ATOM 92 CB ALA A 4 6.512 18.023 -4.207 1.00 0.00 C ATOM 0 H ALA A 4 6.157 15.783 -3.293 1.00 0.00 H new ATOM 0 HA ALA A 4 8.450 17.258 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.877 19.008 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.443 17.386 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.526 18.122 -3.753 1.00 0.00 H new ATOM 98 N GLU A 5 6.749 18.373 -1.137 1.00 0.00 N ATOM 99 CA GLU A 5 6.778 19.197 0.058 1.00 0.00 C ATOM 100 C GLU A 5 7.951 18.748 0.931 1.00 0.00 C ATOM 101 O GLU A 5 8.805 19.550 1.312 1.00 0.00 O ATOM 102 CB GLU A 5 5.439 19.093 0.804 1.00 0.00 C ATOM 103 CG GLU A 5 5.327 20.184 1.876 1.00 0.00 C ATOM 104 CD GLU A 5 4.230 19.860 2.882 1.00 0.00 C ATOM 105 OE1 GLU A 5 3.056 20.151 2.569 1.00 0.00 O ATOM 106 OE2 GLU A 5 4.592 19.311 3.945 1.00 0.00 O ATOM 0 H GLU A 5 5.893 17.828 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 5 6.919 20.245 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.615 19.186 0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.351 18.111 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.280 20.287 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.117 21.143 1.402 1.00 0.00 H new ATOM 113 N LEU A 6 7.993 17.448 1.236 1.00 0.00 N ATOM 114 CA LEU A 6 9.035 16.861 2.066 1.00 0.00 C ATOM 115 C LEU A 6 10.422 17.120 1.489 1.00 0.00 C ATOM 116 O LEU A 6 11.374 17.392 2.216 1.00 0.00 O ATOM 117 CB LEU A 6 8.757 15.371 2.304 1.00 0.00 C ATOM 118 CG LEU A 6 7.464 15.128 3.108 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.096 13.642 3.056 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.618 15.545 4.575 1.00 0.00 C ATOM 0 H LEU A 6 7.300 16.775 0.910 1.00 0.00 H new ATOM 0 HA LEU A 6 9.019 17.350 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.684 14.861 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.599 14.929 2.836 1.00 0.00 H new ATOM 0 HG LEU A 6 6.679 15.735 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.182 13.473 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.939 13.342 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.905 13.052 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.685 15.358 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.420 14.968 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.859 16.607 4.628 1.00 0.00 H new ATOM 132 N LYS A 7 10.516 17.047 0.170 1.00 0.00 N ATOM 133 CA LYS A 7 11.734 17.282 -0.587 1.00 0.00 C ATOM 134 C LYS A 7 12.140 18.750 -0.428 1.00 0.00 C ATOM 135 O LYS A 7 13.294 19.048 -0.132 1.00 0.00 O ATOM 136 CB LYS A 7 11.546 16.856 -2.056 1.00 0.00 C ATOM 137 CG LYS A 7 12.860 16.433 -2.729 1.00 0.00 C ATOM 138 CD LYS A 7 13.639 17.595 -3.354 1.00 0.00 C ATOM 139 CE LYS A 7 15.084 17.174 -3.661 1.00 0.00 C ATOM 140 NZ LYS A 7 15.152 15.920 -4.433 1.00 0.00 N ATOM 0 H LYS A 7 9.719 16.815 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 7 12.550 16.671 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.838 16.029 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.107 17.682 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.492 15.940 -1.991 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.640 15.698 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.146 17.919 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.639 18.447 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.580 17.968 -4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.630 17.052 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.922 15.982 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.332 15.124 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.250 15.767 -4.927 1.00 0.00 H new ATOM 154 N SER A 8 11.191 19.672 -0.603 1.00 0.00 N ATOM 155 CA SER A 8 11.447 21.097 -0.447 1.00 0.00 C ATOM 156 C SER A 8 11.979 21.385 0.962 1.00 0.00 C ATOM 157 O SER A 8 13.012 22.036 1.125 1.00 0.00 O ATOM 158 CB SER A 8 10.172 21.897 -0.735 1.00 0.00 C ATOM 159 OG SER A 8 9.681 21.597 -2.027 1.00 0.00 O ATOM 0 H SER A 8 10.228 19.448 -0.856 1.00 0.00 H new ATOM 0 HA SER A 8 12.207 21.406 -1.165 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.413 21.665 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.380 22.964 -0.657 1.00 0.00 H new ATOM 0 HG SER A 8 9.275 20.705 -2.024 1.00 0.00 H new ATOM 165 N ILE A 9 11.275 20.889 1.986 1.00 0.00 N ATOM 166 CA ILE A 9 11.681 21.078 3.375 1.00 0.00 C ATOM 167 C ILE A 9 13.075 20.467 3.575 1.00 0.00 C ATOM 168 O ILE A 9 13.963 21.096 4.149 1.00 0.00 O ATOM 169 CB ILE A 9 10.633 20.474 4.329 1.00 0.00 C ATOM 170 CG1 ILE A 9 9.266 21.171 4.183 1.00 0.00 C ATOM 171 CG2 ILE A 9 11.112 20.632 5.779 1.00 0.00 C ATOM 172 CD1 ILE A 9 8.118 20.292 4.692 1.00 0.00 C ATOM 0 H ILE A 9 10.416 20.351 1.873 1.00 0.00 H new ATOM 0 HA ILE A 9 11.739 22.141 3.609 1.00 0.00 H new ATOM 0 HB ILE A 9 10.516 19.421 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.277 22.110 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.096 21.420 3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 9 10.371 20.205 6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.062 20.113 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.243 21.690 6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.173 20.821 4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.090 19.364 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.274 20.065 5.747 1.00 0.00 H new ATOM 184 N PHE A 10 13.268 19.239 3.087 1.00 0.00 N ATOM 185 CA PHE A 10 14.540 18.539 3.160 1.00 0.00 C ATOM 186 C PHE A 10 15.648 19.440 2.619 1.00 0.00 C ATOM 187 O PHE A 10 16.637 19.661 3.309 1.00 0.00 O ATOM 188 CB PHE A 10 14.455 17.212 2.399 1.00 0.00 C ATOM 189 CG PHE A 10 15.768 16.474 2.274 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.677 16.808 1.253 1.00 0.00 C ATOM 191 CD2 PHE A 10 16.100 15.479 3.207 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.921 16.166 1.186 1.00 0.00 C ATOM 193 CE2 PHE A 10 17.324 14.799 3.110 1.00 0.00 C ATOM 194 CZ PHE A 10 18.223 15.132 2.088 1.00 0.00 C ATOM 0 H PHE A 10 12.533 18.702 2.626 1.00 0.00 H new ATOM 0 HA PHE A 10 14.776 18.303 4.198 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.736 16.565 2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.065 17.406 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.416 17.559 0.522 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.411 15.236 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.645 16.465 0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.572 14.023 3.819 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.153 14.591 1.993 1.00 0.00 H new ATOM 204 N GLU A 11 15.486 19.973 1.404 1.00 0.00 N ATOM 205 CA GLU A 11 16.471 20.864 0.804 1.00 0.00 C ATOM 206 C GLU A 11 16.709 22.075 1.709 1.00 0.00 C ATOM 207 O GLU A 11 17.855 22.425 1.986 1.00 0.00 O ATOM 208 CB GLU A 11 16.014 21.310 -0.588 1.00 0.00 C ATOM 209 CG GLU A 11 16.108 20.163 -1.602 1.00 0.00 C ATOM 210 CD GLU A 11 15.589 20.596 -2.969 1.00 0.00 C ATOM 211 OE1 GLU A 11 14.393 20.955 -3.037 1.00 0.00 O ATOM 212 OE2 GLU A 11 16.394 20.552 -3.925 1.00 0.00 O ATOM 0 H GLU A 11 14.672 19.797 0.815 1.00 0.00 H new ATOM 0 HA GLU A 11 17.411 20.323 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.986 21.670 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.628 22.146 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.144 19.835 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.532 19.309 -1.245 1.00 0.00 H new ATOM 219 N LYS A 12 15.628 22.713 2.170 1.00 0.00 N ATOM 220 CA LYS A 12 15.717 23.877 3.043 1.00 0.00 C ATOM 221 C LYS A 12 16.593 23.582 4.267 1.00 0.00 C ATOM 222 O LYS A 12 17.393 24.423 4.670 1.00 0.00 O ATOM 223 CB LYS A 12 14.306 24.350 3.428 1.00 0.00 C ATOM 224 CG LYS A 12 14.283 25.643 4.257 1.00 0.00 C ATOM 225 CD LYS A 12 14.976 26.844 3.592 1.00 0.00 C ATOM 226 CE LYS A 12 14.460 27.155 2.181 1.00 0.00 C ATOM 227 NZ LYS A 12 13.004 27.380 2.162 1.00 0.00 N ATOM 0 H LYS A 12 14.672 22.435 1.947 1.00 0.00 H new ATOM 0 HA LYS A 12 16.203 24.692 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.725 24.504 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.811 23.560 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.246 25.908 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.761 25.451 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.839 27.724 4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.048 26.651 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.968 28.039 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.708 26.329 1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.702 27.620 1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.515 26.516 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.765 28.163 2.804 1.00 0.00 H new ATOM 241 N TYR A 13 16.454 22.390 4.857 1.00 0.00 N ATOM 242 CA TYR A 13 17.259 22.006 6.011 1.00 0.00 C ATOM 243 C TYR A 13 18.685 21.701 5.556 1.00 0.00 C ATOM 244 O TYR A 13 19.639 22.280 6.066 1.00 0.00 O ATOM 245 CB TYR A 13 16.691 20.748 6.678 1.00 0.00 C ATOM 246 CG TYR A 13 15.561 20.932 7.667 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.485 21.787 7.370 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.556 20.205 8.876 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.431 21.936 8.285 1.00 0.00 C ATOM 250 CE2 TYR A 13 14.556 20.436 9.818 1.00 0.00 C ATOM 251 CZ TYR A 13 13.474 21.276 9.523 1.00 0.00 C ATOM 252 OH TYR A 13 12.430 21.364 10.391 1.00 0.00 O ATOM 0 H TYR A 13 15.791 21.678 4.551 1.00 0.00 H new ATOM 0 HA TYR A 13 17.247 22.831 6.724 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.344 20.078 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.508 20.241 7.191 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.469 22.330 6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.325 19.472 9.071 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.585 22.560 8.036 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.615 19.962 10.787 1.00 0.00 H new ATOM 0 HH TYR A 13 11.600 21.512 9.891 1.00 0.00 H new ATOM 262 N ALA A 14 18.821 20.781 4.600 1.00 0.00 N ATOM 263 CA ALA A 14 20.080 20.312 4.040 1.00 0.00 C ATOM 264 C ALA A 14 20.991 21.468 3.622 1.00 0.00 C ATOM 265 O ALA A 14 22.211 21.391 3.739 1.00 0.00 O ATOM 266 CB ALA A 14 19.772 19.361 2.873 1.00 0.00 C ATOM 0 H ALA A 14 18.014 20.323 4.177 1.00 0.00 H new ATOM 0 HA ALA A 14 20.635 19.770 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.706 19.000 2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.190 18.515 3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.202 19.893 2.111 1.00 0.00 H new ATOM 272 N ALA A 15 20.410 22.564 3.130 1.00 0.00 N ATOM 273 CA ALA A 15 21.166 23.746 2.742 1.00 0.00 C ATOM 274 C ALA A 15 21.993 24.322 3.904 1.00 0.00 C ATOM 275 O ALA A 15 22.973 25.020 3.655 1.00 0.00 O ATOM 276 CB ALA A 15 20.204 24.803 2.194 1.00 0.00 C ATOM 0 H ALA A 15 19.403 22.653 2.991 1.00 0.00 H new ATOM 0 HA ALA A 15 21.876 23.451 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.766 25.690 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.680 24.403 1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.479 25.069 2.964 1.00 0.00 H new ATOM 282 N LYS A 16 21.605 24.052 5.155 1.00 0.00 N ATOM 283 CA LYS A 16 22.281 24.560 6.338 1.00 0.00 C ATOM 284 C LYS A 16 23.546 23.755 6.659 1.00 0.00 C ATOM 285 O LYS A 16 24.648 24.270 6.486 1.00 0.00 O ATOM 286 CB LYS A 16 21.319 24.590 7.536 1.00 0.00 C ATOM 287 CG LYS A 16 20.076 25.450 7.271 1.00 0.00 C ATOM 288 CD LYS A 16 18.993 25.286 8.348 1.00 0.00 C ATOM 289 CE LYS A 16 19.460 25.637 9.768 1.00 0.00 C ATOM 290 NZ LYS A 16 20.118 24.501 10.439 1.00 0.00 N ATOM 0 H LYS A 16 20.799 23.465 5.370 1.00 0.00 H new ATOM 0 HA LYS A 16 22.599 25.581 6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.009 23.573 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.844 24.976 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.371 26.498 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.658 25.185 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.142 25.917 8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.640 24.255 8.338 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.151 26.479 9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.603 25.959 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.624 24.291 11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.086 23.666 9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.109 24.744 10.641 1.00 0.00 H new ATOM 304 N GLU A 17 23.404 22.513 7.144 1.00 0.00 N ATOM 305 CA GLU A 17 24.536 21.671 7.531 1.00 0.00 C ATOM 306 C GLU A 17 24.664 20.457 6.611 1.00 0.00 C ATOM 307 O GLU A 17 23.750 20.117 5.866 1.00 0.00 O ATOM 308 CB GLU A 17 24.423 21.228 8.999 1.00 0.00 C ATOM 309 CG GLU A 17 23.951 22.342 9.943 1.00 0.00 C ATOM 310 CD GLU A 17 24.831 23.588 9.885 1.00 0.00 C ATOM 311 OE1 GLU A 17 26.067 23.414 9.938 1.00 0.00 O ATOM 312 OE2 GLU A 17 24.245 24.691 9.809 1.00 0.00 O ATOM 0 H GLU A 17 22.497 22.067 7.278 1.00 0.00 H new ATOM 0 HA GLU A 17 25.440 22.271 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.729 20.390 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.394 20.865 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.927 22.616 9.689 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.936 21.962 10.965 1.00 0.00 H new ATOM 319 N GLY A 18 25.819 19.791 6.670 1.00 0.00 N ATOM 320 CA GLY A 18 26.094 18.624 5.853 1.00 0.00 C ATOM 321 C GLY A 18 26.401 19.064 4.424 1.00 0.00 C ATOM 322 O GLY A 18 27.566 19.082 4.031 1.00 0.00 O ATOM 0 H GLY A 18 26.586 20.052 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.938 18.070 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 18 25.237 17.951 5.861 1.00 0.00 H new ATOM 326 N ASP A 19 25.360 19.422 3.667 1.00 0.00 N ATOM 327 CA ASP A 19 25.383 19.860 2.269 1.00 0.00 C ATOM 328 C ASP A 19 23.928 19.827 1.778 1.00 0.00 C ATOM 329 O ASP A 19 23.188 18.973 2.255 1.00 0.00 O ATOM 330 CB ASP A 19 26.279 18.920 1.429 1.00 0.00 C ATOM 331 CG ASP A 19 26.086 19.048 -0.077 1.00 0.00 C ATOM 332 OD1 ASP A 19 25.072 18.506 -0.565 1.00 0.00 O ATOM 333 OD2 ASP A 19 26.950 19.688 -0.716 1.00 0.00 O ATOM 0 H ASP A 19 24.412 19.413 4.042 1.00 0.00 H new ATOM 0 HA ASP A 19 25.798 20.863 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.323 19.123 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 19 26.080 17.889 1.723 1.00 0.00 H new ATOM 338 N PRO A 20 23.497 20.695 0.840 1.00 0.00 N ATOM 339 CA PRO A 20 22.136 20.730 0.293 1.00 0.00 C ATOM 340 C PRO A 20 21.502 19.381 -0.085 1.00 0.00 C ATOM 341 O PRO A 20 20.279 19.296 -0.177 1.00 0.00 O ATOM 342 CB PRO A 20 22.172 21.702 -0.894 1.00 0.00 C ATOM 343 CG PRO A 20 23.659 21.931 -1.163 1.00 0.00 C ATOM 344 CD PRO A 20 24.281 21.751 0.218 1.00 0.00 C ATOM 0 HA PRO A 20 21.471 21.060 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 20 21.672 21.281 -1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 20 21.664 22.637 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 20 24.055 21.214 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 20 23.849 22.926 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 20 25.333 21.474 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 20 24.234 22.673 0.797 1.00 0.00 H new ATOM 352 N ASN A 21 22.292 18.326 -0.310 1.00 0.00 N ATOM 353 CA ASN A 21 21.785 17.001 -0.649 1.00 0.00 C ATOM 354 C ASN A 21 21.523 16.120 0.581 1.00 0.00 C ATOM 355 O ASN A 21 20.978 15.034 0.404 1.00 0.00 O ATOM 356 CB ASN A 21 22.771 16.334 -1.631 1.00 0.00 C ATOM 357 CG ASN A 21 22.608 14.820 -1.781 1.00 0.00 C ATOM 358 OD1 ASN A 21 23.388 14.063 -1.213 1.00 0.00 O ATOM 359 ND2 ASN A 21 21.613 14.357 -2.536 1.00 0.00 N ATOM 0 H ASN A 21 23.310 18.373 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 21 20.811 17.118 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.653 16.796 -2.611 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.788 16.544 -1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.486 13.352 -2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.978 15.008 -2.998 1.00 0.00 H new ATOM 366 N GLN A 22 21.881 16.527 1.805 1.00 0.00 N ATOM 367 CA GLN A 22 21.713 15.687 2.992 1.00 0.00 C ATOM 368 C GLN A 22 21.171 16.373 4.216 1.00 0.00 C ATOM 369 O GLN A 22 21.371 17.565 4.400 1.00 0.00 O ATOM 370 CB GLN A 22 23.060 15.160 3.526 1.00 0.00 C ATOM 371 CG GLN A 22 24.267 15.623 2.703 1.00 0.00 C ATOM 372 CD GLN A 22 25.580 15.180 3.330 1.00 0.00 C ATOM 373 OE1 GLN A 22 26.011 15.744 4.328 1.00 0.00 O ATOM 374 NE2 GLN A 22 26.225 14.171 2.754 1.00 0.00 N ATOM 0 H GLN A 22 22.292 17.441 1.997 1.00 0.00 H new ATOM 0 HA GLN A 22 21.025 14.933 2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.186 15.488 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 22 23.035 14.070 3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 22 24.193 15.222 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.253 16.710 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 22 25.836 13.725 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 22 27.109 13.843 3.143 1.00 0.00 H new ATOM 383 N LEU A 23 20.603 15.546 5.099 1.00 0.00 N ATOM 384 CA LEU A 23 20.297 15.952 6.442 1.00 0.00 C ATOM 385 C LEU A 23 21.239 15.258 7.417 1.00 0.00 C ATOM 386 O LEU A 23 21.270 14.029 7.473 1.00 0.00 O ATOM 387 CB LEU A 23 18.884 15.520 6.860 1.00 0.00 C ATOM 388 CG LEU A 23 17.728 16.392 6.388 1.00 0.00 C ATOM 389 CD1 LEU A 23 16.409 15.621 6.486 1.00 0.00 C ATOM 390 CD2 LEU A 23 17.607 17.627 7.266 1.00 0.00 C ATOM 0 H LEU A 23 20.349 14.581 4.887 1.00 0.00 H new ATOM 0 HA LEU A 23 20.391 17.038 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 23 18.717 14.507 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 23 18.852 15.474 7.949 1.00 0.00 H new ATOM 0 HG LEU A 23 17.926 16.678 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 23 15.591 16.255 6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.461 14.730 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 23 16.235 15.328 7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.777 18.241 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.426 17.324 8.297 1.00 0.00 H new ATOM 0 HD23 LEU A 23 18.531 18.203 7.214 1.00 0.00 H new ATOM 402 N SER A 24 21.977 16.024 8.218 1.00 0.00 N ATOM 403 CA SER A 24 22.773 15.434 9.279 1.00 0.00 C ATOM 404 C SER A 24 21.787 14.937 10.342 1.00 0.00 C ATOM 405 O SER A 24 20.682 15.472 10.444 1.00 0.00 O ATOM 406 CB SER A 24 23.754 16.471 9.834 1.00 0.00 C ATOM 407 OG SER A 24 24.610 16.903 8.797 1.00 0.00 O ATOM 0 H SER A 24 22.037 17.040 8.151 1.00 0.00 H new ATOM 0 HA SER A 24 23.378 14.601 8.922 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.209 17.319 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.337 16.039 10.647 1.00 0.00 H new ATOM 0 HG SER A 24 25.239 17.568 9.147 1.00 0.00 H new ATOM 413 N LYS A 25 22.165 13.930 11.134 1.00 0.00 N ATOM 414 CA LYS A 25 21.321 13.345 12.178 1.00 0.00 C ATOM 415 C LYS A 25 20.620 14.438 13.005 1.00 0.00 C ATOM 416 O LYS A 25 19.416 14.380 13.258 1.00 0.00 O ATOM 417 CB LYS A 25 22.185 12.431 13.061 1.00 0.00 C ATOM 418 CG LYS A 25 22.729 11.216 12.284 1.00 0.00 C ATOM 419 CD LYS A 25 23.938 10.582 12.987 1.00 0.00 C ATOM 420 CE LYS A 25 23.561 9.958 14.334 1.00 0.00 C ATOM 421 NZ LYS A 25 24.741 9.383 15.004 1.00 0.00 N ATOM 0 H LYS A 25 23.083 13.491 11.066 1.00 0.00 H new ATOM 0 HA LYS A 25 20.532 12.751 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.019 13.004 13.467 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.594 12.083 13.909 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.940 10.471 12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 25 23.015 11.526 11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 25 24.371 9.817 12.342 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.705 11.340 13.142 1.00 0.00 H new ATOM 0 HE2 LYS A 25 23.109 10.715 14.975 1.00 0.00 H new ATOM 0 HE3 LYS A 25 22.812 9.181 14.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.529 9.231 16.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.984 8.474 14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.544 10.038 14.915 1.00 0.00 H new ATOM 435 N GLU A 26 21.400 15.447 13.401 1.00 0.00 N ATOM 436 CA GLU A 26 20.954 16.604 14.162 1.00 0.00 C ATOM 437 C GLU A 26 19.800 17.329 13.458 1.00 0.00 C ATOM 438 O GLU A 26 18.841 17.754 14.100 1.00 0.00 O ATOM 439 CB GLU A 26 22.117 17.584 14.391 1.00 0.00 C ATOM 440 CG GLU A 26 23.421 16.927 14.877 1.00 0.00 C ATOM 441 CD GLU A 26 24.351 16.566 13.719 1.00 0.00 C ATOM 442 OE1 GLU A 26 24.157 15.467 13.153 1.00 0.00 O ATOM 443 OE2 GLU A 26 25.209 17.410 13.390 1.00 0.00 O ATOM 0 H GLU A 26 22.397 15.476 13.189 1.00 0.00 H new ATOM 0 HA GLU A 26 20.595 16.240 15.125 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.317 18.114 13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.807 18.331 15.122 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.936 17.605 15.557 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.183 16.027 15.444 1.00 0.00 H new ATOM 450 N GLU A 27 19.890 17.482 12.136 1.00 0.00 N ATOM 451 CA GLU A 27 18.878 18.157 11.342 1.00 0.00 C ATOM 452 C GLU A 27 17.673 17.229 11.200 1.00 0.00 C ATOM 453 O GLU A 27 16.533 17.667 11.331 1.00 0.00 O ATOM 454 CB GLU A 27 19.441 18.547 9.972 1.00 0.00 C ATOM 455 CG GLU A 27 20.639 19.498 10.060 1.00 0.00 C ATOM 456 CD GLU A 27 21.197 19.788 8.669 1.00 0.00 C ATOM 457 OE1 GLU A 27 21.619 18.804 8.027 1.00 0.00 O ATOM 458 OE2 GLU A 27 21.209 20.979 8.288 1.00 0.00 O ATOM 0 H GLU A 27 20.677 17.136 11.587 1.00 0.00 H new ATOM 0 HA GLU A 27 18.568 19.077 11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.740 17.644 9.439 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.654 19.018 9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.336 20.430 10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.416 19.057 10.685 1.00 0.00 H new ATOM 465 N LEU A 28 17.923 15.945 10.933 1.00 0.00 N ATOM 466 CA LEU A 28 16.879 14.945 10.799 1.00 0.00 C ATOM 467 C LEU A 28 15.971 14.923 12.021 1.00 0.00 C ATOM 468 O LEU A 28 14.765 15.111 11.879 1.00 0.00 O ATOM 469 CB LEU A 28 17.486 13.553 10.567 1.00 0.00 C ATOM 470 CG LEU A 28 17.189 13.068 9.152 1.00 0.00 C ATOM 471 CD1 LEU A 28 18.038 11.841 8.831 1.00 0.00 C ATOM 472 CD2 LEU A 28 15.708 12.717 8.965 1.00 0.00 C ATOM 0 H LEU A 28 18.865 15.575 10.804 1.00 0.00 H new ATOM 0 HA LEU A 28 16.276 15.215 9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.564 13.589 10.726 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.080 12.848 11.292 1.00 0.00 H new ATOM 0 HG LEU A 28 17.434 13.884 8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.819 11.502 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 28 19.094 12.099 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.808 11.044 9.538 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.541 12.376 7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.431 11.925 9.661 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.098 13.599 9.157 1.00 0.00 H new ATOM 484 N LYS A 29 16.527 14.693 13.219 1.00 0.00 N ATOM 485 CA LYS A 29 15.681 14.651 14.409 1.00 0.00 C ATOM 486 C LYS A 29 14.798 15.887 14.497 1.00 0.00 C ATOM 487 O LYS A 29 13.603 15.778 14.777 1.00 0.00 O ATOM 488 CB LYS A 29 16.409 14.220 15.689 1.00 0.00 C ATOM 489 CG LYS A 29 16.201 15.181 16.868 1.00 0.00 C ATOM 490 CD LYS A 29 17.120 16.355 16.588 1.00 0.00 C ATOM 491 CE LYS A 29 18.396 16.364 17.439 1.00 0.00 C ATOM 492 NZ LYS A 29 19.175 15.123 17.285 1.00 0.00 N ATOM 0 H LYS A 29 17.522 14.539 13.383 1.00 0.00 H new ATOM 0 HA LYS A 29 14.981 13.823 14.295 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.064 13.226 15.976 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.476 14.140 15.481 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.162 15.502 16.936 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.450 14.703 17.815 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.398 16.342 15.534 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.573 17.281 16.762 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.014 17.216 17.156 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.131 16.497 18.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.097 15.232 17.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.657 14.332 17.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.321 14.928 16.274 1.00 0.00 H new ATOM 506 N GLN A 30 15.399 17.050 14.241 1.00 0.00 N ATOM 507 CA GLN A 30 14.661 18.292 14.281 1.00 0.00 C ATOM 508 C GLN A 30 13.505 18.192 13.283 1.00 0.00 C ATOM 509 O GLN A 30 12.359 18.352 13.688 1.00 0.00 O ATOM 510 CB GLN A 30 15.549 19.511 13.995 1.00 0.00 C ATOM 511 CG GLN A 30 16.462 19.848 15.175 1.00 0.00 C ATOM 512 CD GLN A 30 17.448 20.950 14.811 1.00 0.00 C ATOM 513 OE1 GLN A 30 17.185 22.129 15.017 1.00 0.00 O ATOM 514 NE2 GLN A 30 18.599 20.567 14.268 1.00 0.00 N ATOM 0 H GLN A 30 16.387 17.148 14.007 1.00 0.00 H new ATOM 0 HA GLN A 30 14.273 18.444 15.288 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.157 19.317 13.111 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.920 20.371 13.767 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.859 20.163 16.027 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.007 18.956 15.483 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.784 19.576 14.111 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.297 21.264 14.008 1.00 0.00 H new ATOM 523 N LEU A 31 13.793 17.917 12.001 1.00 0.00 N ATOM 524 CA LEU A 31 12.769 17.748 10.976 1.00 0.00 C ATOM 525 C LEU A 31 11.581 16.928 11.464 1.00 0.00 C ATOM 526 O LEU A 31 10.432 17.372 11.443 1.00 0.00 O ATOM 527 CB LEU A 31 13.378 17.127 9.705 1.00 0.00 C ATOM 528 CG LEU A 31 12.363 16.989 8.558 1.00 0.00 C ATOM 529 CD1 LEU A 31 11.729 18.327 8.176 1.00 0.00 C ATOM 530 CD2 LEU A 31 13.066 16.419 7.324 1.00 0.00 C ATOM 0 H LEU A 31 14.745 17.807 11.653 1.00 0.00 H new ATOM 0 HA LEU A 31 12.387 18.741 10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.214 17.742 9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.782 16.144 9.945 1.00 0.00 H new ATOM 0 HG LEU A 31 11.572 16.324 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.020 18.175 7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.207 18.742 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.507 19.020 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.348 16.320 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.869 17.090 7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.482 15.440 7.562 1.00 0.00 H new ATOM 542 N ILE A 32 11.904 15.718 11.896 1.00 0.00 N ATOM 543 CA ILE A 32 10.927 14.749 12.365 1.00 0.00 C ATOM 544 C ILE A 32 10.082 15.311 13.495 1.00 0.00 C ATOM 545 O ILE A 32 8.876 15.501 13.369 1.00 0.00 O ATOM 546 CB ILE A 32 11.571 13.392 12.722 1.00 0.00 C ATOM 547 CG1 ILE A 32 12.388 12.774 11.571 1.00 0.00 C ATOM 548 CG2 ILE A 32 10.497 12.386 13.168 1.00 0.00 C ATOM 549 CD1 ILE A 32 11.672 12.731 10.222 1.00 0.00 C ATOM 0 H ILE A 32 12.865 15.378 11.931 1.00 0.00 H new ATOM 0 HA ILE A 32 10.249 14.549 11.535 1.00 0.00 H new ATOM 0 HB ILE A 32 12.264 13.601 13.537 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.312 13.340 11.457 1.00 0.00 H new ATOM 0 HG13 ILE A 32 12.669 11.758 11.849 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.969 11.435 13.416 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.978 12.773 14.045 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.781 12.236 12.360 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.327 12.280 9.477 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.762 12.138 10.312 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.416 13.745 9.914 1.00 0.00 H new ATOM 561 N GLN A 33 10.740 15.560 14.612 1.00 0.00 N ATOM 562 CA GLN A 33 10.106 16.024 15.839 1.00 0.00 C ATOM 563 C GLN A 33 9.307 17.314 15.640 1.00 0.00 C ATOM 564 O GLN A 33 8.209 17.444 16.176 1.00 0.00 O ATOM 565 CB GLN A 33 11.153 16.178 16.950 1.00 0.00 C ATOM 566 CG GLN A 33 11.854 14.861 17.325 1.00 0.00 C ATOM 567 CD GLN A 33 10.921 13.866 18.008 1.00 0.00 C ATOM 568 OE1 GLN A 33 10.890 13.773 19.230 1.00 0.00 O ATOM 569 NE2 GLN A 33 10.154 13.104 17.234 1.00 0.00 N ATOM 0 H GLN A 33 11.750 15.444 14.697 1.00 0.00 H new ATOM 0 HA GLN A 33 9.383 15.266 16.140 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.904 16.901 16.632 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.671 16.588 17.837 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.267 14.406 16.425 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.693 15.077 17.986 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.198 13.200 16.220 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.522 12.423 17.655 1.00 0.00 H new ATOM 578 N ALA A 34 9.855 18.266 14.888 1.00 0.00 N ATOM 579 CA ALA A 34 9.227 19.556 14.667 1.00 0.00 C ATOM 580 C ALA A 34 8.065 19.510 13.674 1.00 0.00 C ATOM 581 O ALA A 34 6.996 20.036 13.975 1.00 0.00 O ATOM 582 CB ALA A 34 10.280 20.567 14.200 1.00 0.00 C ATOM 0 H ALA A 34 10.752 18.158 14.415 1.00 0.00 H new ATOM 0 HA ALA A 34 8.799 19.864 15.621 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.807 21.535 14.035 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.052 20.666 14.963 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.731 20.220 13.270 1.00 0.00 H new ATOM 588 N GLU A 35 8.271 18.927 12.486 1.00 0.00 N ATOM 589 CA GLU A 35 7.270 18.958 11.425 1.00 0.00 C ATOM 590 C GLU A 35 6.435 17.690 11.249 1.00 0.00 C ATOM 591 O GLU A 35 5.347 17.784 10.680 1.00 0.00 O ATOM 592 CB GLU A 35 7.942 19.379 10.110 1.00 0.00 C ATOM 593 CG GLU A 35 8.579 20.770 10.261 1.00 0.00 C ATOM 594 CD GLU A 35 9.064 21.336 8.931 1.00 0.00 C ATOM 595 OE1 GLU A 35 8.255 21.336 7.979 1.00 0.00 O ATOM 596 OE2 GLU A 35 10.234 21.775 8.896 1.00 0.00 O ATOM 0 H GLU A 35 9.126 18.428 12.240 1.00 0.00 H new ATOM 0 HA GLU A 35 6.531 19.696 11.738 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.704 18.650 9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.207 19.393 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.852 21.453 10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.418 20.709 10.954 1.00 0.00 H new ATOM 603 N PHE A 36 6.890 16.514 11.694 1.00 0.00 N ATOM 604 CA PHE A 36 6.107 15.293 11.514 1.00 0.00 C ATOM 605 C PHE A 36 6.506 14.158 12.465 1.00 0.00 C ATOM 606 O PHE A 36 7.004 13.124 12.017 1.00 0.00 O ATOM 607 CB PHE A 36 6.086 14.858 10.036 1.00 0.00 C ATOM 608 CG PHE A 36 7.413 14.838 9.296 1.00 0.00 C ATOM 609 CD1 PHE A 36 7.843 15.979 8.594 1.00 0.00 C ATOM 610 CD2 PHE A 36 8.111 13.626 9.140 1.00 0.00 C ATOM 611 CE1 PHE A 36 8.951 15.907 7.734 1.00 0.00 C ATOM 612 CE2 PHE A 36 9.202 13.547 8.258 1.00 0.00 C ATOM 613 CZ PHE A 36 9.629 14.689 7.561 1.00 0.00 C ATOM 0 H PHE A 36 7.781 16.385 12.173 1.00 0.00 H new ATOM 0 HA PHE A 36 5.083 15.538 11.797 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.656 13.858 9.985 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.410 15.523 9.498 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.318 16.915 8.717 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.807 12.754 9.700 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.282 16.789 7.205 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.713 12.606 8.116 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.476 14.631 6.894 1.00 0.00 H new ATOM 753 N THR A 45 11.948 4.964 15.880 1.00 0.00 N ATOM 754 CA THR A 45 13.130 5.240 15.129 1.00 0.00 C ATOM 755 C THR A 45 13.259 6.718 14.822 1.00 0.00 C ATOM 756 O THR A 45 12.957 7.173 13.722 1.00 0.00 O ATOM 757 CB THR A 45 13.133 4.404 13.859 1.00 0.00 C ATOM 758 OG1 THR A 45 12.952 3.041 14.200 1.00 0.00 O ATOM 759 CG2 THR A 45 14.506 4.606 13.227 1.00 0.00 C ATOM 0 HA THR A 45 13.998 4.968 15.729 1.00 0.00 H new ATOM 0 HB THR A 45 12.336 4.694 13.175 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.342 2.973 14.964 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.571 4.028 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.652 5.663 13.003 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.278 4.272 13.920 1.00 0.00 H new ATOM 767 N LEU A 46 13.749 7.453 15.809 1.00 0.00 N ATOM 768 CA LEU A 46 14.085 8.851 15.628 1.00 0.00 C ATOM 769 C LEU A 46 15.541 8.966 15.175 1.00 0.00 C ATOM 770 O LEU A 46 15.992 10.066 14.866 1.00 0.00 O ATOM 771 CB LEU A 46 13.822 9.602 16.923 1.00 0.00 C ATOM 772 CG LEU A 46 12.325 9.588 17.280 1.00 0.00 C ATOM 773 CD1 LEU A 46 12.132 10.317 18.615 1.00 0.00 C ATOM 774 CD2 LEU A 46 11.445 10.246 16.208 1.00 0.00 C ATOM 0 H LEU A 46 13.923 7.098 16.749 1.00 0.00 H new ATOM 0 HA LEU A 46 13.463 9.301 14.854 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.396 9.150 17.732 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.166 10.632 16.826 1.00 0.00 H new ATOM 0 HG LEU A 46 12.013 8.546 17.348 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.075 10.315 18.881 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.703 9.809 19.393 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.481 11.345 18.522 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.401 10.204 16.518 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.744 11.286 16.080 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.564 9.715 15.263 1.00 0.00 H new ATOM 786 N ASP A 47 16.270 7.838 15.132 1.00 0.00 N ATOM 787 CA ASP A 47 17.638 7.810 14.630 1.00 0.00 C ATOM 788 C ASP A 47 18.224 6.436 14.277 1.00 0.00 C ATOM 789 O ASP A 47 19.142 6.390 13.467 1.00 0.00 O ATOM 790 CB ASP A 47 18.585 8.555 15.584 1.00 0.00 C ATOM 791 CG ASP A 47 19.976 8.721 14.980 1.00 0.00 C ATOM 792 OD1 ASP A 47 20.073 9.441 13.963 1.00 0.00 O ATOM 793 OD2 ASP A 47 20.914 8.123 15.549 1.00 0.00 O ATOM 0 H ASP A 47 15.923 6.931 15.444 1.00 0.00 H new ATOM 0 HA ASP A 47 17.561 8.321 13.670 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.170 9.535 15.817 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.659 8.008 16.524 1.00 0.00 H new ATOM 798 N ASP A 48 17.754 5.319 14.841 1.00 0.00 N ATOM 799 CA ASP A 48 18.335 4.005 14.541 1.00 0.00 C ATOM 800 C ASP A 48 18.535 3.750 13.036 1.00 0.00 C ATOM 801 O ASP A 48 19.662 3.561 12.579 1.00 0.00 O ATOM 802 CB ASP A 48 17.513 2.891 15.202 1.00 0.00 C ATOM 803 CG ASP A 48 18.104 1.520 14.890 1.00 0.00 C ATOM 804 OD1 ASP A 48 19.029 1.120 15.629 1.00 0.00 O ATOM 805 OD2 ASP A 48 17.623 0.904 13.914 1.00 0.00 O ATOM 0 H ASP A 48 16.979 5.297 15.503 1.00 0.00 H new ATOM 0 HA ASP A 48 19.337 4.001 14.969 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.488 3.044 16.281 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.483 2.936 14.850 1.00 0.00 H new ATOM 810 N LEU A 49 17.454 3.751 12.252 1.00 0.00 N ATOM 811 CA LEU A 49 17.577 3.516 10.816 1.00 0.00 C ATOM 812 C LEU A 49 18.238 4.719 10.143 1.00 0.00 C ATOM 813 O LEU A 49 18.926 4.564 9.141 1.00 0.00 O ATOM 814 CB LEU A 49 16.257 3.045 10.171 1.00 0.00 C ATOM 815 CG LEU A 49 15.211 4.116 9.806 1.00 0.00 C ATOM 816 CD1 LEU A 49 15.477 4.745 8.432 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.819 3.473 9.735 1.00 0.00 C ATOM 0 H LEU A 49 16.502 3.909 12.581 1.00 0.00 H new ATOM 0 HA LEU A 49 18.245 2.670 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.506 2.497 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.786 2.336 10.852 1.00 0.00 H new ATOM 0 HG LEU A 49 15.271 4.885 10.576 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.713 5.493 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.459 5.219 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.448 3.970 7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.080 4.232 9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.817 2.692 8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.569 3.038 10.703 1.00 0.00 H new ATOM 829 N PHE A 50 18.053 5.923 10.691 1.00 0.00 N ATOM 830 CA PHE A 50 18.649 7.142 10.151 1.00 0.00 C ATOM 831 C PHE A 50 20.168 6.961 10.115 1.00 0.00 C ATOM 832 O PHE A 50 20.816 7.303 9.132 1.00 0.00 O ATOM 833 CB PHE A 50 18.265 8.352 11.014 1.00 0.00 C ATOM 834 CG PHE A 50 16.788 8.702 11.152 1.00 0.00 C ATOM 835 CD1 PHE A 50 15.763 7.864 10.667 1.00 0.00 C ATOM 836 CD2 PHE A 50 16.436 9.888 11.824 1.00 0.00 C ATOM 837 CE1 PHE A 50 14.425 8.104 11.021 1.00 0.00 C ATOM 838 CE2 PHE A 50 15.088 10.182 12.087 1.00 0.00 C ATOM 839 CZ PHE A 50 14.090 9.257 11.747 1.00 0.00 C ATOM 0 H PHE A 50 17.484 6.077 11.523 1.00 0.00 H new ATOM 0 HA PHE A 50 18.278 7.325 9.143 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.662 8.185 12.015 1.00 0.00 H new ATOM 0 HB3 PHE A 50 18.777 9.225 10.609 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.008 7.034 10.021 1.00 0.00 H new ATOM 0 HD2 PHE A 50 17.207 10.576 12.139 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.656 7.402 10.735 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.820 11.120 12.551 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.066 9.432 12.043 1.00 0.00 H new ATOM 849 N GLN A 51 20.730 6.399 11.191 1.00 0.00 N ATOM 850 CA GLN A 51 22.148 6.113 11.291 1.00 0.00 C ATOM 851 C GLN A 51 22.536 5.127 10.185 1.00 0.00 C ATOM 852 O GLN A 51 23.582 5.293 9.558 1.00 0.00 O ATOM 853 CB GLN A 51 22.477 5.591 12.699 1.00 0.00 C ATOM 854 CG GLN A 51 23.953 5.204 12.883 1.00 0.00 C ATOM 855 CD GLN A 51 24.909 6.372 12.655 1.00 0.00 C ATOM 856 OE1 GLN A 51 25.357 7.008 13.603 1.00 0.00 O ATOM 857 NE2 GLN A 51 25.236 6.671 11.402 1.00 0.00 N ATOM 0 H GLN A 51 20.200 6.131 12.020 1.00 0.00 H new ATOM 0 HA GLN A 51 22.737 7.019 11.147 1.00 0.00 H new ATOM 0 HB2 GLN A 51 22.217 6.356 13.431 1.00 0.00 H new ATOM 0 HB3 GLN A 51 21.853 4.722 12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 51 24.098 4.815 13.891 1.00 0.00 H new ATOM 0 HG3 GLN A 51 24.201 4.399 12.191 1.00 0.00 H new ATOM 0 HE21 GLN A 51 24.850 6.127 10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 51 25.873 7.445 11.212 1.00 0.00 H new ATOM 866 N GLU A 52 21.704 4.112 9.931 1.00 0.00 N ATOM 867 CA GLU A 52 21.952 3.148 8.864 1.00 0.00 C ATOM 868 C GLU A 52 21.974 3.888 7.519 1.00 0.00 C ATOM 869 O GLU A 52 22.828 3.632 6.675 1.00 0.00 O ATOM 870 CB GLU A 52 20.897 2.032 8.903 1.00 0.00 C ATOM 871 CG GLU A 52 21.302 0.837 8.031 1.00 0.00 C ATOM 872 CD GLU A 52 20.217 -0.235 8.017 1.00 0.00 C ATOM 873 OE1 GLU A 52 19.830 -0.667 9.124 1.00 0.00 O ATOM 874 OE2 GLU A 52 19.789 -0.600 6.900 1.00 0.00 O ATOM 0 H GLU A 52 20.847 3.940 10.457 1.00 0.00 H new ATOM 0 HA GLU A 52 22.921 2.669 9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 52 20.756 1.700 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.939 2.424 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.494 1.176 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.232 0.410 8.405 1.00 0.00 H new ATOM 881 N LEU A 53 21.043 4.830 7.331 1.00 0.00 N ATOM 882 CA LEU A 53 20.932 5.672 6.143 1.00 0.00 C ATOM 883 C LEU A 53 22.003 6.772 6.098 1.00 0.00 C ATOM 884 O LEU A 53 21.872 7.700 5.303 1.00 0.00 O ATOM 885 CB LEU A 53 19.524 6.292 6.087 1.00 0.00 C ATOM 886 CG LEU A 53 18.362 5.304 5.894 1.00 0.00 C ATOM 887 CD1 LEU A 53 17.063 6.116 5.810 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.503 4.451 4.629 1.00 0.00 C ATOM 0 H LEU A 53 20.324 5.031 8.027 1.00 0.00 H new ATOM 0 HA LEU A 53 21.097 5.039 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.355 6.846 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.499 7.016 5.272 1.00 0.00 H new ATOM 0 HG LEU A 53 18.361 4.615 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.219 5.440 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.928 6.682 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.118 6.804 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.652 3.774 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.533 5.100 3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.424 3.871 4.682 1.00 0.00 H new ATOM 900 N ASP A 54 23.056 6.705 6.918 1.00 0.00 N ATOM 901 CA ASP A 54 24.098 7.717 6.942 1.00 0.00 C ATOM 902 C ASP A 54 25.214 7.394 5.957 1.00 0.00 C ATOM 903 O ASP A 54 26.073 6.567 6.252 1.00 0.00 O ATOM 904 CB ASP A 54 24.620 7.858 8.376 1.00 0.00 C ATOM 905 CG ASP A 54 25.538 9.056 8.587 1.00 0.00 C ATOM 906 OD1 ASP A 54 26.493 9.221 7.795 1.00 0.00 O ATOM 907 OD2 ASP A 54 25.297 9.785 9.572 1.00 0.00 O ATOM 0 H ASP A 54 23.203 5.944 7.581 1.00 0.00 H new ATOM 0 HA ASP A 54 23.681 8.672 6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 54 23.771 7.940 9.054 1.00 0.00 H new ATOM 0 HB3 ASP A 54 25.158 6.949 8.647 1.00 0.00 H new ATOM 974 N GLU A 60 25.142 12.405 8.438 1.00 0.00 N ATOM 975 CA GLU A 60 24.574 12.649 7.123 1.00 0.00 C ATOM 976 C GLU A 60 23.414 11.685 6.910 1.00 0.00 C ATOM 977 O GLU A 60 23.324 10.701 7.632 1.00 0.00 O ATOM 978 CB GLU A 60 25.610 12.270 6.053 1.00 0.00 C ATOM 979 CG GLU A 60 26.972 12.964 6.181 1.00 0.00 C ATOM 980 CD GLU A 60 27.934 12.433 5.125 1.00 0.00 C ATOM 981 OE1 GLU A 60 28.199 11.213 5.174 1.00 0.00 O ATOM 982 OE2 GLU A 60 28.352 13.237 4.265 1.00 0.00 O ATOM 0 HA GLU A 60 24.271 13.694 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 60 25.766 11.192 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.195 12.500 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.852 14.041 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.383 12.794 7.176 1.00 0.00 H new ATOM 989 N VAL A 61 22.597 11.961 5.894 1.00 0.00 N ATOM 990 CA VAL A 61 21.531 11.145 5.322 1.00 0.00 C ATOM 991 C VAL A 61 21.208 11.864 4.021 1.00 0.00 C ATOM 992 O VAL A 61 20.503 12.874 4.029 1.00 0.00 O ATOM 993 CB VAL A 61 20.280 10.931 6.206 1.00 0.00 C ATOM 994 CG1 VAL A 61 19.214 10.176 5.396 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.543 10.134 7.490 1.00 0.00 C ATOM 0 H VAL A 61 22.675 12.852 5.403 1.00 0.00 H new ATOM 0 HA VAL A 61 21.866 10.115 5.197 1.00 0.00 H new ATOM 0 HB VAL A 61 19.953 11.927 6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.329 10.022 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.945 10.760 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.611 9.210 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.614 10.030 8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.924 9.146 7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.278 10.659 8.100 1.00 0.00 H new ATOM 1005 N SER A 62 21.758 11.367 2.913 1.00 0.00 N ATOM 1006 CA SER A 62 21.581 11.985 1.611 1.00 0.00 C ATOM 1007 C SER A 62 20.145 11.784 1.124 1.00 0.00 C ATOM 1008 O SER A 62 19.494 10.832 1.549 1.00 0.00 O ATOM 1009 CB SER A 62 22.638 11.427 0.664 1.00 0.00 C ATOM 1010 OG SER A 62 22.448 10.052 0.425 1.00 0.00 O ATOM 0 H SER A 62 22.336 10.527 2.899 1.00 0.00 H new ATOM 0 HA SER A 62 21.726 13.064 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.603 11.969 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.629 11.589 1.088 1.00 0.00 H new ATOM 0 HG SER A 62 22.679 9.545 1.231 1.00 0.00 H new ATOM 1016 N PHE A 63 19.635 12.661 0.255 1.00 0.00 N ATOM 1017 CA PHE A 63 18.266 12.580 -0.250 1.00 0.00 C ATOM 1018 C PHE A 63 17.913 11.163 -0.697 1.00 0.00 C ATOM 1019 O PHE A 63 16.911 10.590 -0.272 1.00 0.00 O ATOM 1020 CB PHE A 63 18.030 13.573 -1.396 1.00 0.00 C ATOM 1021 CG PHE A 63 16.609 13.496 -1.921 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.546 13.872 -1.077 1.00 0.00 C ATOM 1023 CD2 PHE A 63 16.337 12.775 -3.101 1.00 0.00 C ATOM 1024 CE1 PHE A 63 14.230 13.481 -1.380 1.00 0.00 C ATOM 1025 CE2 PHE A 63 15.016 12.419 -3.423 1.00 0.00 C ATOM 1026 CZ PHE A 63 13.963 12.767 -2.560 1.00 0.00 C ATOM 0 H PHE A 63 20.164 13.449 -0.118 1.00 0.00 H new ATOM 0 HA PHE A 63 17.608 12.849 0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 63 18.235 14.585 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 63 18.729 13.366 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 63 15.742 14.463 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 63 17.146 12.495 -3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.424 13.730 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.810 11.878 -4.334 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.949 12.486 -2.804 1.00 0.00 H new ATOM 1036 N GLU A 64 18.764 10.600 -1.555 1.00 0.00 N ATOM 1037 CA GLU A 64 18.603 9.263 -2.090 1.00 0.00 C ATOM 1038 C GLU A 64 18.347 8.237 -0.973 1.00 0.00 C ATOM 1039 O GLU A 64 17.545 7.323 -1.163 1.00 0.00 O ATOM 1040 CB GLU A 64 19.777 8.905 -3.019 1.00 0.00 C ATOM 1041 CG GLU A 64 21.183 9.119 -2.428 1.00 0.00 C ATOM 1042 CD GLU A 64 21.815 10.481 -2.744 1.00 0.00 C ATOM 1043 OE1 GLU A 64 21.155 11.517 -2.494 1.00 0.00 O ATOM 1044 OE2 GLU A 64 22.962 10.469 -3.240 1.00 0.00 O ATOM 0 H GLU A 64 19.598 11.076 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 64 17.708 9.234 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.680 7.859 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.691 9.499 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.128 9.002 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.841 8.334 -2.800 1.00 0.00 H new ATOM 1051 N GLU A 65 18.998 8.403 0.185 1.00 0.00 N ATOM 1052 CA GLU A 65 18.832 7.538 1.345 1.00 0.00 C ATOM 1053 C GLU A 65 17.523 7.918 2.057 1.00 0.00 C ATOM 1054 O GLU A 65 16.690 7.056 2.333 1.00 0.00 O ATOM 1055 CB GLU A 65 20.061 7.657 2.265 1.00 0.00 C ATOM 1056 CG GLU A 65 21.346 7.155 1.594 1.00 0.00 C ATOM 1057 CD GLU A 65 22.567 7.437 2.465 1.00 0.00 C ATOM 1058 OE1 GLU A 65 22.819 8.641 2.710 1.00 0.00 O ATOM 1059 OE2 GLU A 65 23.230 6.454 2.858 1.00 0.00 O ATOM 0 H GLU A 65 19.666 9.158 0.338 1.00 0.00 H new ATOM 0 HA GLU A 65 18.763 6.493 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 65 20.191 8.698 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.885 7.087 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 65 21.268 6.084 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 65 21.467 7.639 0.625 1.00 0.00 H new ATOM 1066 N PHE A 66 17.343 9.215 2.335 1.00 0.00 N ATOM 1067 CA PHE A 66 16.176 9.808 2.992 1.00 0.00 C ATOM 1068 C PHE A 66 14.866 9.253 2.427 1.00 0.00 C ATOM 1069 O PHE A 66 13.922 9.030 3.185 1.00 0.00 O ATOM 1070 CB PHE A 66 16.233 11.337 2.868 1.00 0.00 C ATOM 1071 CG PHE A 66 15.079 12.105 3.486 1.00 0.00 C ATOM 1072 CD1 PHE A 66 14.868 12.080 4.877 1.00 0.00 C ATOM 1073 CD2 PHE A 66 14.268 12.921 2.674 1.00 0.00 C ATOM 1074 CE1 PHE A 66 13.839 12.853 5.448 1.00 0.00 C ATOM 1075 CE2 PHE A 66 13.262 13.719 3.249 1.00 0.00 C ATOM 1076 CZ PHE A 66 13.041 13.675 4.636 1.00 0.00 C ATOM 0 H PHE A 66 18.046 9.914 2.094 1.00 0.00 H new ATOM 0 HA PHE A 66 16.202 9.539 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.159 11.683 3.327 1.00 0.00 H new ATOM 0 HB3 PHE A 66 16.287 11.593 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.496 11.467 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.419 12.934 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.663 12.814 6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 66 12.661 14.364 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.258 14.273 5.077 1.00 0.00 H new ATOM 1086 N GLN A 67 14.805 9.011 1.112 1.00 0.00 N ATOM 1087 CA GLN A 67 13.643 8.405 0.460 1.00 0.00 C ATOM 1088 C GLN A 67 13.082 7.229 1.278 1.00 0.00 C ATOM 1089 O GLN A 67 11.870 7.109 1.455 1.00 0.00 O ATOM 1090 CB GLN A 67 14.028 7.897 -0.934 1.00 0.00 C ATOM 1091 CG GLN A 67 14.326 9.033 -1.919 1.00 0.00 C ATOM 1092 CD GLN A 67 14.736 8.499 -3.287 1.00 0.00 C ATOM 1093 OE1 GLN A 67 14.136 8.849 -4.298 1.00 0.00 O ATOM 1094 NE2 GLN A 67 15.761 7.655 -3.341 1.00 0.00 N ATOM 0 H GLN A 67 15.565 9.232 0.469 1.00 0.00 H new ATOM 0 HA GLN A 67 12.875 9.175 0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.904 7.254 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.218 7.283 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.444 9.664 -2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.122 9.661 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.242 7.381 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.067 7.281 -4.239 1.00 0.00 H new ATOM 1103 N VAL A 68 13.967 6.362 1.783 1.00 0.00 N ATOM 1104 CA VAL A 68 13.586 5.188 2.560 1.00 0.00 C ATOM 1105 C VAL A 68 12.778 5.595 3.795 1.00 0.00 C ATOM 1106 O VAL A 68 11.839 4.897 4.173 1.00 0.00 O ATOM 1107 CB VAL A 68 14.843 4.373 2.923 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.500 3.158 3.796 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.557 3.881 1.656 1.00 0.00 C ATOM 0 H VAL A 68 14.975 6.461 1.660 1.00 0.00 H new ATOM 0 HA VAL A 68 12.939 4.549 1.959 1.00 0.00 H new ATOM 0 HB VAL A 68 15.498 5.039 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.412 2.609 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.031 3.495 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.812 2.506 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.441 3.308 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.882 3.248 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.856 4.737 1.051 1.00 0.00 H new ATOM 1119 N LEU A 69 13.121 6.722 4.419 1.00 0.00 N ATOM 1120 CA LEU A 69 12.420 7.244 5.581 1.00 0.00 C ATOM 1121 C LEU A 69 11.081 7.785 5.084 1.00 0.00 C ATOM 1122 O LEU A 69 10.016 7.343 5.516 1.00 0.00 O ATOM 1123 CB LEU A 69 13.300 8.323 6.243 1.00 0.00 C ATOM 1124 CG LEU A 69 12.755 8.934 7.543 1.00 0.00 C ATOM 1125 CD1 LEU A 69 13.899 9.703 8.209 1.00 0.00 C ATOM 1126 CD2 LEU A 69 11.604 9.920 7.319 1.00 0.00 C ATOM 0 H LEU A 69 13.906 7.303 4.123 1.00 0.00 H new ATOM 0 HA LEU A 69 12.228 6.485 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.278 7.888 6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.456 9.128 5.524 1.00 0.00 H new ATOM 0 HG LEU A 69 12.371 8.116 8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.544 10.151 9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.719 9.019 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.249 10.488 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.269 10.312 8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.946 10.742 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.777 9.408 6.828 1.00 0.00 H new ATOM 1138 N VAL A 70 11.162 8.748 4.162 1.00 0.00 N ATOM 1139 CA VAL A 70 10.026 9.429 3.540 1.00 0.00 C ATOM 1140 C VAL A 70 8.899 8.464 3.177 1.00 0.00 C ATOM 1141 O VAL A 70 7.735 8.794 3.398 1.00 0.00 O ATOM 1142 CB VAL A 70 10.477 10.213 2.296 1.00 0.00 C ATOM 1143 CG1 VAL A 70 9.299 10.763 1.478 1.00 0.00 C ATOM 1144 CG2 VAL A 70 11.364 11.386 2.707 1.00 0.00 C ATOM 0 H VAL A 70 12.059 9.088 3.815 1.00 0.00 H new ATOM 0 HA VAL A 70 9.632 10.127 4.278 1.00 0.00 H new ATOM 0 HB VAL A 70 11.025 9.507 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.679 11.307 0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.673 9.937 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.708 11.436 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.677 11.934 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.805 12.051 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.243 11.011 3.231 1.00 0.00 H new ATOM 1154 N LYS A 71 9.228 7.288 2.629 1.00 0.00 N ATOM 1155 CA LYS A 71 8.244 6.274 2.267 1.00 0.00 C ATOM 1156 C LYS A 71 7.200 6.023 3.368 1.00 0.00 C ATOM 1157 O LYS A 71 6.040 5.763 3.048 1.00 0.00 O ATOM 1158 CB LYS A 71 8.954 4.967 1.875 1.00 0.00 C ATOM 1159 CG LYS A 71 9.515 4.995 0.446 1.00 0.00 C ATOM 1160 CD LYS A 71 8.410 4.811 -0.603 1.00 0.00 C ATOM 1161 CE LYS A 71 9.002 4.710 -2.012 1.00 0.00 C ATOM 1162 NZ LYS A 71 7.939 4.546 -3.021 1.00 0.00 N ATOM 0 H LYS A 71 10.190 7.017 2.425 1.00 0.00 H new ATOM 0 HA LYS A 71 7.691 6.658 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.768 4.778 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.253 4.137 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.025 5.943 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.259 4.207 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.838 3.910 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.715 5.650 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.582 5.606 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.689 3.865 -2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.366 4.480 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.402 3.678 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.298 5.365 -2.987 1.00 0.00 H new