USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 94 SER OG : rot 67:sc= 1.08 USER MOD Set 1.2: A 120 HIS : no HE2:sc= 0.219 K(o=1.3,f=-7!) USER MOD Set 2.1: A 67 MET CE :methyl -176:sc= -0.0964 (180deg=-0.127) USER MOD Set 2.2: A 90 SER OG : rot -168:sc= 0 USER MOD Set 3.1: A 72 GLN : amide:sc= 0 X(o=-0.083,f=-0.081) USER MOD Set 3.2: A 81 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.0351 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -154:sc= -0.0814 (180deg=-0.889) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 65 MET CE :methyl -155:sc= -0.222 (180deg=-0.84) USER MOD Single : A 70 SER OG : rot -85:sc= 1.27 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 93:sc= 0.784 USER MOD Single : A 95 TYR OH : rot 96:sc= 0.0463 USER MOD Single : A 107 GLN : amide:sc= -3.12! C(o=-3.1!,f=-6!) USER MOD Single : A 112 GLN : amide:sc= 0.397 K(o=0.4,f=-0.25) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.759 F(o=-2,f=-0.76) USER MOD Single : A 124 LYS NZ :NH3+ -121:sc= 1.26 (180deg=-0.52) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 4.091 -10.746 0.763 1.00 0.00 N ATOM 101 CA LEU A 36 2.728 -10.956 0.317 1.00 0.00 C ATOM 102 C LEU A 36 2.185 -9.648 -0.280 1.00 0.00 C ATOM 103 O LEU A 36 2.960 -8.720 -0.538 1.00 0.00 O ATOM 104 CB LEU A 36 1.956 -11.572 1.496 1.00 0.00 C ATOM 105 CG LEU A 36 1.973 -10.812 2.828 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.514 -9.363 2.687 1.00 0.00 C ATOM 107 CD2 LEU A 36 1.072 -11.548 3.824 1.00 0.00 C ATOM 0 HA LEU A 36 2.626 -11.667 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.917 -11.693 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.354 -12.571 1.674 1.00 0.00 H new ATOM 0 HG LEU A 36 3.003 -10.781 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.547 -8.875 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.173 -8.838 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.494 -9.340 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.074 -11.019 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.055 -11.588 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.445 -12.562 3.971 1.00 0.00 H new ATOM 119 N PHE A 37 0.886 -9.577 -0.581 1.00 0.00 N ATOM 120 CA PHE A 37 0.272 -8.473 -1.327 1.00 0.00 C ATOM 121 C PHE A 37 -1.259 -8.598 -1.281 1.00 0.00 C ATOM 122 O PHE A 37 -1.756 -9.725 -1.162 1.00 0.00 O ATOM 123 CB PHE A 37 0.744 -8.508 -2.795 1.00 0.00 C ATOM 124 CG PHE A 37 0.586 -7.198 -3.542 1.00 0.00 C ATOM 125 CD1 PHE A 37 1.522 -6.161 -3.367 1.00 0.00 C ATOM 126 CD2 PHE A 37 -0.508 -7.003 -4.401 1.00 0.00 C ATOM 127 CE1 PHE A 37 1.382 -4.952 -4.069 1.00 0.00 C ATOM 128 CE2 PHE A 37 -0.656 -5.790 -5.097 1.00 0.00 C ATOM 129 CZ PHE A 37 0.317 -4.791 -4.970 1.00 0.00 C ATOM 0 H PHE A 37 0.218 -10.298 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 37 0.571 -7.529 -0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.794 -8.800 -2.818 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.187 -9.282 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.352 -6.296 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.239 -7.788 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.090 -4.151 -3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.518 -5.629 -5.728 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.248 -3.894 -5.567 1.00 0.00 H new ATOM 139 N TYR A 38 -2.018 -7.500 -1.429 1.00 0.00 N ATOM 140 CA TYR A 38 -3.477 -7.538 -1.606 1.00 0.00 C ATOM 141 C TYR A 38 -3.895 -6.624 -2.754 1.00 0.00 C ATOM 142 O TYR A 38 -3.029 -6.081 -3.433 1.00 0.00 O ATOM 143 CB TYR A 38 -4.148 -7.144 -0.287 1.00 0.00 C ATOM 144 CG TYR A 38 -3.832 -8.133 0.803 1.00 0.00 C ATOM 145 CD1 TYR A 38 -4.581 -9.322 0.911 1.00 0.00 C ATOM 146 CD2 TYR A 38 -2.653 -7.945 1.548 1.00 0.00 C ATOM 147 CE1 TYR A 38 -4.121 -10.352 1.747 1.00 0.00 C ATOM 148 CE2 TYR A 38 -2.172 -8.991 2.352 1.00 0.00 C ATOM 149 CZ TYR A 38 -2.920 -10.181 2.471 1.00 0.00 C ATOM 150 OH TYR A 38 -2.408 -11.193 3.211 1.00 0.00 O ATOM 0 H TYR A 38 -1.633 -6.555 -1.429 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.797 -8.546 -1.868 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.813 -6.151 0.012 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.227 -7.087 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.500 -9.440 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.123 -7.005 1.502 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -4.682 -11.270 1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.234 -8.885 2.877 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.655 -12.051 2.807 1.00 0.00 H new ATOM 160 N THR A 39 -5.188 -6.366 -2.946 1.00 0.00 N ATOM 161 CA THR A 39 -5.676 -5.201 -3.687 1.00 0.00 C ATOM 162 C THR A 39 -6.935 -4.689 -2.975 1.00 0.00 C ATOM 163 O THR A 39 -7.364 -5.323 -2.009 1.00 0.00 O ATOM 164 CB THR A 39 -5.872 -5.569 -5.182 1.00 0.00 C ATOM 165 OG1 THR A 39 -6.695 -6.708 -5.272 1.00 0.00 O ATOM 166 CG2 THR A 39 -4.603 -5.870 -5.985 1.00 0.00 C ATOM 0 H THR A 39 -5.933 -6.964 -2.589 1.00 0.00 H new ATOM 0 HA THR A 39 -4.957 -4.382 -3.695 1.00 0.00 H new ATOM 0 HB THR A 39 -6.305 -4.670 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.824 -6.945 -6.214 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.872 -6.113 -7.013 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.952 -4.996 -5.977 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.081 -6.716 -5.537 1.00 0.00 H new ATOM 174 N PRO A 40 -7.505 -3.521 -3.321 1.00 0.00 N ATOM 175 CA PRO A 40 -8.400 -2.816 -2.419 1.00 0.00 C ATOM 176 C PRO A 40 -9.819 -3.378 -2.449 1.00 0.00 C ATOM 177 O PRO A 40 -10.641 -2.885 -1.702 1.00 0.00 O ATOM 178 CB PRO A 40 -8.390 -1.370 -2.890 1.00 0.00 C ATOM 179 CG PRO A 40 -8.270 -1.537 -4.394 1.00 0.00 C ATOM 180 CD PRO A 40 -7.421 -2.786 -4.574 1.00 0.00 C ATOM 0 HA PRO A 40 -8.066 -2.922 -1.387 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.301 -0.841 -2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.554 -0.809 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.249 -1.652 -4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.799 -0.668 -4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.788 -3.389 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.388 -2.524 -4.803 1.00 0.00 H new ATOM 188 N GLY A 41 -10.108 -4.388 -3.273 1.00 0.00 N ATOM 189 CA GLY A 41 -11.297 -5.206 -3.218 1.00 0.00 C ATOM 190 C GLY A 41 -10.981 -6.573 -2.612 1.00 0.00 C ATOM 191 O GLY A 41 -11.876 -7.342 -2.306 1.00 0.00 O ATOM 0 H GLY A 41 -9.481 -4.662 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.062 -4.706 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.705 -5.332 -4.221 1.00 0.00 H new ATOM 195 N GLU A 42 -9.712 -6.888 -2.374 1.00 0.00 N ATOM 196 CA GLU A 42 -9.261 -8.174 -1.876 1.00 0.00 C ATOM 197 C GLU A 42 -8.853 -8.054 -0.403 1.00 0.00 C ATOM 198 O GLU A 42 -8.114 -8.901 0.107 1.00 0.00 O ATOM 199 CB GLU A 42 -8.100 -8.638 -2.757 1.00 0.00 C ATOM 200 CG GLU A 42 -8.523 -9.345 -4.052 1.00 0.00 C ATOM 201 CD GLU A 42 -8.382 -10.851 -3.941 1.00 0.00 C ATOM 202 OE1 GLU A 42 -7.231 -11.314 -3.703 1.00 0.00 O ATOM 203 OE2 GLU A 42 -9.355 -11.564 -4.236 1.00 0.00 O ATOM 0 H GLU A 42 -8.948 -6.231 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.060 -8.914 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.488 -7.773 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.470 -9.314 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.558 -9.092 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.914 -8.983 -4.880 1.00 0.00 H new ATOM 210 N ILE A 43 -9.290 -6.991 0.289 1.00 0.00 N ATOM 211 CA ILE A 43 -9.110 -6.891 1.730 1.00 0.00 C ATOM 212 C ILE A 43 -10.475 -7.057 2.412 1.00 0.00 C ATOM 213 O ILE A 43 -10.507 -7.490 3.557 1.00 0.00 O ATOM 214 CB ILE A 43 -8.286 -5.619 2.057 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.860 -5.793 1.460 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.225 -5.364 3.571 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.788 -4.843 1.996 1.00 0.00 C ATOM 0 H ILE A 43 -9.768 -6.195 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.507 -7.697 2.149 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.769 -4.748 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.534 -6.817 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.922 -5.666 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.640 -4.465 3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.235 -5.230 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.757 -6.215 4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.836 -5.056 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.078 -3.813 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.684 -4.982 3.072 1.00 0.00 H new ATOM 229 N LEU A 44 -11.588 -6.791 1.717 1.00 0.00 N ATOM 230 CA LEU A 44 -12.959 -6.905 2.195 1.00 0.00 C ATOM 231 C LEU A 44 -13.561 -8.249 1.812 1.00 0.00 C ATOM 232 O LEU A 44 -14.139 -8.932 2.652 1.00 0.00 O ATOM 233 CB LEU A 44 -13.842 -5.792 1.609 1.00 0.00 C ATOM 234 CG LEU A 44 -13.149 -4.519 1.129 1.00 0.00 C ATOM 235 CD1 LEU A 44 -12.437 -3.724 2.200 1.00 0.00 C ATOM 236 CD2 LEU A 44 -12.293 -4.655 -0.113 1.00 0.00 C ATOM 0 H LEU A 44 -11.546 -6.472 0.749 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.926 -6.814 3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.396 -6.210 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.575 -5.511 2.366 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.014 -3.928 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.979 -2.841 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.154 -3.416 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.664 -4.341 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.852 -3.689 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.500 -5.380 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.910 -4.994 -0.945 1.00 0.00 H new ATOM 248 N TYR A 45 -13.447 -8.592 0.526 1.00 0.00 N ATOM 249 CA TYR A 45 -14.082 -9.755 -0.063 1.00 0.00 C ATOM 250 C TYR A 45 -13.298 -10.962 0.429 1.00 0.00 C ATOM 251 O TYR A 45 -13.800 -11.771 1.204 1.00 0.00 O ATOM 252 CB TYR A 45 -14.107 -9.643 -1.601 1.00 0.00 C ATOM 253 CG TYR A 45 -14.997 -8.543 -2.177 1.00 0.00 C ATOM 254 CD1 TYR A 45 -14.806 -7.183 -1.850 1.00 0.00 C ATOM 255 CD2 TYR A 45 -16.030 -8.886 -3.068 1.00 0.00 C ATOM 256 CE1 TYR A 45 -15.693 -6.196 -2.312 1.00 0.00 C ATOM 257 CE2 TYR A 45 -16.919 -7.908 -3.542 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.780 -6.568 -3.129 1.00 0.00 C ATOM 259 OH TYR A 45 -17.698 -5.638 -3.504 1.00 0.00 O ATOM 0 H TYR A 45 -12.897 -8.052 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.127 -9.845 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.088 -9.479 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.434 -10.599 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.965 -6.897 -1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.140 -9.911 -3.390 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.543 -5.161 -2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -17.710 -8.183 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 45 -18.381 -6.060 -4.066 1.00 0.00 H new ATOM 269 N GLY A 46 -12.025 -11.046 0.047 1.00 0.00 N ATOM 270 CA GLY A 46 -11.083 -12.009 0.576 1.00 0.00 C ATOM 271 C GLY A 46 -9.811 -11.979 -0.254 1.00 0.00 C ATOM 272 O GLY A 46 -9.733 -11.279 -1.259 1.00 0.00 O ATOM 0 H GLY A 46 -11.618 -10.428 -0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.857 -11.779 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.519 -13.008 0.558 1.00 0.00 H new ATOM 276 N LYS A 47 -8.802 -12.748 0.154 1.00 0.00 N ATOM 277 CA LYS A 47 -7.724 -13.146 -0.744 1.00 0.00 C ATOM 278 C LYS A 47 -8.281 -14.149 -1.745 1.00 0.00 C ATOM 279 O LYS A 47 -8.780 -15.177 -1.285 1.00 0.00 O ATOM 280 CB LYS A 47 -6.623 -13.827 0.074 1.00 0.00 C ATOM 281 CG LYS A 47 -5.363 -14.022 -0.770 1.00 0.00 C ATOM 282 CD LYS A 47 -4.441 -12.840 -0.505 1.00 0.00 C ATOM 283 CE LYS A 47 -3.264 -12.741 -1.469 1.00 0.00 C ATOM 284 NZ LYS A 47 -3.614 -12.407 -2.860 1.00 0.00 N ATOM 0 H LYS A 47 -8.711 -13.108 1.104 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.319 -12.275 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.389 -13.224 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.977 -14.792 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.869 -14.958 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.617 -14.079 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.022 -11.920 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.058 -12.913 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.572 -11.986 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.731 -13.692 -1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.748 -12.363 -3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.248 -13.137 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.093 -11.484 -2.885 1.00 0.00 H new ATOM 385 N MET A 53 -7.369 -13.550 4.115 1.00 0.00 N ATOM 386 CA MET A 53 -7.671 -12.213 4.647 1.00 0.00 C ATOM 387 C MET A 53 -6.540 -11.775 5.586 1.00 0.00 C ATOM 388 O MET A 53 -6.209 -12.514 6.515 1.00 0.00 O ATOM 389 CB MET A 53 -9.036 -12.079 5.351 1.00 0.00 C ATOM 390 CG MET A 53 -10.201 -12.542 4.469 1.00 0.00 C ATOM 391 SD MET A 53 -11.814 -11.873 4.944 1.00 0.00 S ATOM 392 CE MET A 53 -11.739 -10.257 4.134 1.00 0.00 C ATOM 0 HA MET A 53 -7.741 -11.555 3.781 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.026 -12.665 6.270 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.193 -11.039 5.637 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.994 -12.259 3.437 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.251 -13.631 4.497 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.384 -9.555 4.662 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.713 -9.890 4.149 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.075 -10.352 3.101 1.00 0.00 H new ATOM 402 N PRO A 54 -5.918 -10.602 5.355 1.00 0.00 N ATOM 403 CA PRO A 54 -4.814 -10.151 6.185 1.00 0.00 C ATOM 404 C PRO A 54 -5.313 -9.885 7.601 1.00 0.00 C ATOM 405 O PRO A 54 -6.447 -9.436 7.796 1.00 0.00 O ATOM 406 CB PRO A 54 -4.287 -8.875 5.533 1.00 0.00 C ATOM 407 CG PRO A 54 -5.491 -8.318 4.776 1.00 0.00 C ATOM 408 CD PRO A 54 -6.325 -9.553 4.432 1.00 0.00 C ATOM 0 HA PRO A 54 -4.023 -10.897 6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.923 -8.168 6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.456 -9.085 4.860 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.055 -7.615 5.388 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.183 -7.783 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.390 -9.341 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.156 -9.859 3.400 1.00 0.00 H new ATOM 416 N GLU A 55 -4.452 -10.126 8.582 1.00 0.00 N ATOM 417 CA GLU A 55 -4.828 -9.983 9.967 1.00 0.00 C ATOM 418 C GLU A 55 -4.797 -8.509 10.362 1.00 0.00 C ATOM 419 O GLU A 55 -3.963 -7.740 9.883 1.00 0.00 O ATOM 420 CB GLU A 55 -3.856 -10.798 10.829 1.00 0.00 C ATOM 421 CG GLU A 55 -4.615 -11.518 11.952 1.00 0.00 C ATOM 422 CD GLU A 55 -3.986 -11.245 13.313 1.00 0.00 C ATOM 423 OE1 GLU A 55 -4.362 -10.221 13.931 1.00 0.00 O ATOM 424 OE2 GLU A 55 -3.092 -12.028 13.722 1.00 0.00 O ATOM 0 H GLU A 55 -3.487 -10.422 8.434 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.841 -10.354 10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.333 -11.526 10.209 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.099 -10.140 11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.655 -11.191 11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.619 -12.591 11.760 1.00 0.00 H new ATOM 431 N VAL A 56 -5.687 -8.130 11.274 1.00 0.00 N ATOM 432 CA VAL A 56 -5.839 -6.771 11.796 1.00 0.00 C ATOM 433 C VAL A 56 -4.666 -6.393 12.714 1.00 0.00 C ATOM 434 O VAL A 56 -4.526 -5.242 13.110 1.00 0.00 O ATOM 435 CB VAL A 56 -7.220 -6.686 12.495 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.596 -5.253 12.865 1.00 0.00 C ATOM 437 CG2 VAL A 56 -8.364 -7.240 11.619 1.00 0.00 C ATOM 0 H VAL A 56 -6.350 -8.786 11.688 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.811 -6.039 10.989 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.108 -7.293 13.393 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.571 -5.247 13.352 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.848 -4.845 13.545 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.637 -4.643 11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.308 -7.156 12.157 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.422 -6.668 10.693 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.170 -8.287 11.387 1.00 0.00 H new ATOM 447 N GLY A 57 -3.802 -7.342 13.050 1.00 0.00 N ATOM 448 CA GLY A 57 -2.583 -7.133 13.805 1.00 0.00 C ATOM 449 C GLY A 57 -1.388 -7.675 13.045 1.00 0.00 C ATOM 450 O GLY A 57 -0.543 -8.314 13.668 1.00 0.00 O ATOM 0 H GLY A 57 -3.942 -8.319 12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.446 -6.069 13.999 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.659 -7.626 14.774 1.00 0.00 H new ATOM 454 N GLN A 58 -1.312 -7.487 11.718 1.00 0.00 N ATOM 455 CA GLN A 58 -0.085 -7.810 10.992 1.00 0.00 C ATOM 456 C GLN A 58 0.298 -6.708 10.004 1.00 0.00 C ATOM 457 O GLN A 58 -0.502 -5.825 9.677 1.00 0.00 O ATOM 458 CB GLN A 58 -0.186 -9.183 10.303 1.00 0.00 C ATOM 459 CG GLN A 58 -1.045 -9.183 9.037 1.00 0.00 C ATOM 460 CD GLN A 58 -0.698 -10.309 8.080 1.00 0.00 C ATOM 461 OE1 GLN A 58 -0.064 -11.305 8.424 1.00 0.00 O ATOM 462 NE2 GLN A 58 -1.114 -10.171 6.837 1.00 0.00 N ATOM 0 H GLN A 58 -2.070 -7.121 11.141 1.00 0.00 H new ATOM 0 HA GLN A 58 0.719 -7.871 11.726 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.817 -9.525 10.049 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.599 -9.903 11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.095 -9.264 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.925 -8.229 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.639 -9.340 6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.911 -10.895 6.148 1.00 0.00 H new ATOM 471 N ARG A 59 1.506 -6.829 9.443 1.00 0.00 N ATOM 472 CA ARG A 59 1.952 -5.991 8.337 1.00 0.00 C ATOM 473 C ARG A 59 1.560 -6.608 7.007 1.00 0.00 C ATOM 474 O ARG A 59 1.422 -7.829 6.913 1.00 0.00 O ATOM 475 CB ARG A 59 3.448 -5.638 8.411 1.00 0.00 C ATOM 476 CG ARG A 59 4.464 -6.745 8.707 1.00 0.00 C ATOM 477 CD ARG A 59 4.623 -6.963 10.217 1.00 0.00 C ATOM 478 NE ARG A 59 5.979 -7.441 10.539 1.00 0.00 N ATOM 479 CZ ARG A 59 7.021 -6.688 10.927 1.00 0.00 C ATOM 480 NH1 ARG A 59 6.874 -5.396 11.211 1.00 0.00 N ATOM 481 NH2 ARG A 59 8.222 -7.238 11.024 1.00 0.00 N ATOM 0 H ARG A 59 2.199 -7.513 9.747 1.00 0.00 H new ATOM 0 HA ARG A 59 1.434 -5.036 8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.725 -5.184 7.459 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.566 -4.871 9.176 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.142 -7.673 8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.428 -6.483 8.271 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.427 -6.030 10.746 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.886 -7.687 10.564 1.00 0.00 H new ATOM 0 HE ARG A 59 6.143 -8.445 10.459 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.956 -4.959 11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.680 -4.843 11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.350 -8.226 10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.019 -6.674 11.318 1.00 0.00 H new ATOM 495 N LEU A 60 1.356 -5.787 5.974 1.00 0.00 N ATOM 496 CA LEU A 60 1.133 -6.230 4.607 1.00 0.00 C ATOM 497 C LEU A 60 1.511 -5.156 3.575 1.00 0.00 C ATOM 498 O LEU A 60 1.923 -4.055 3.935 1.00 0.00 O ATOM 499 CB LEU A 60 -0.287 -6.824 4.412 1.00 0.00 C ATOM 500 CG LEU A 60 -1.596 -6.221 4.965 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.681 -6.116 6.476 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.081 -4.935 4.310 1.00 0.00 C ATOM 0 H LEU A 60 1.342 -4.772 6.074 1.00 0.00 H new ATOM 0 HA LEU A 60 1.819 -7.055 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.429 -6.904 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.240 -7.840 4.804 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.298 -6.996 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.640 -5.680 6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.592 -7.110 6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.873 -5.483 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.007 -4.612 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.324 -4.160 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.260 -5.112 3.249 1.00 0.00 H new ATOM 514 N ARG A 61 1.404 -5.495 2.283 1.00 0.00 N ATOM 515 CA ARG A 61 1.553 -4.633 1.104 1.00 0.00 C ATOM 516 C ARG A 61 0.273 -4.769 0.286 1.00 0.00 C ATOM 517 O ARG A 61 -0.337 -5.837 0.299 1.00 0.00 O ATOM 518 CB ARG A 61 2.806 -5.051 0.296 1.00 0.00 C ATOM 519 CG ARG A 61 3.194 -4.102 -0.851 1.00 0.00 C ATOM 520 CD ARG A 61 4.522 -4.508 -1.517 1.00 0.00 C ATOM 521 NE ARG A 61 5.085 -3.419 -2.335 1.00 0.00 N ATOM 522 CZ ARG A 61 5.922 -3.504 -3.382 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.349 -4.667 -3.850 1.00 0.00 N ATOM 524 NH2 ARG A 61 6.318 -2.389 -3.983 1.00 0.00 N ATOM 0 H ARG A 61 1.194 -6.456 2.015 1.00 0.00 H new ATOM 0 HA ARG A 61 1.698 -3.590 1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.650 -5.131 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.636 -6.045 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.401 -4.096 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.278 -3.085 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.241 -4.793 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.360 -5.385 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 61 4.801 -2.475 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.042 -5.536 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.985 -4.694 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.987 -1.484 -3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.953 -2.437 -4.779 1.00 0.00 H new ATOM 538 N VAL A 62 -0.170 -3.741 -0.429 1.00 0.00 N ATOM 539 CA VAL A 62 -1.289 -3.819 -1.358 1.00 0.00 C ATOM 540 C VAL A 62 -1.098 -2.871 -2.539 1.00 0.00 C ATOM 541 O VAL A 62 -0.232 -2.013 -2.463 1.00 0.00 O ATOM 542 CB VAL A 62 -2.558 -3.578 -0.530 1.00 0.00 C ATOM 543 CG1 VAL A 62 -2.766 -2.389 0.320 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.849 -3.673 -1.310 1.00 0.00 C ATOM 0 H VAL A 62 0.248 -2.812 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.367 -4.797 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.322 -4.401 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.742 -2.452 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.987 -2.345 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.723 -1.490 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.691 -3.488 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.848 -2.930 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.940 -4.669 -1.743 1.00 0.00 H new ATOM 554 N GLY A 63 -1.881 -2.980 -3.616 1.00 0.00 N ATOM 555 CA GLY A 63 -1.912 -1.984 -4.680 1.00 0.00 C ATOM 556 C GLY A 63 -3.311 -1.782 -5.215 1.00 0.00 C ATOM 557 O GLY A 63 -4.167 -2.646 -5.020 1.00 0.00 O ATOM 0 H GLY A 63 -2.512 -3.766 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.526 -1.037 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.254 -2.297 -5.491 1.00 0.00 H new ATOM 561 N GLY A 64 -3.572 -0.609 -5.786 1.00 0.00 N ATOM 562 CA GLY A 64 -4.895 -0.195 -6.273 1.00 0.00 C ATOM 563 C GLY A 64 -4.931 1.252 -6.770 1.00 0.00 C ATOM 564 O GLY A 64 -3.890 1.909 -6.823 1.00 0.00 O ATOM 0 H GLY A 64 -2.854 0.102 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.200 -0.858 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.624 -0.315 -5.471 1.00 0.00 H new ATOM 568 N MET A 65 -6.116 1.743 -7.155 1.00 0.00 N ATOM 569 CA MET A 65 -6.325 3.021 -7.839 1.00 0.00 C ATOM 570 C MET A 65 -6.860 4.072 -6.867 1.00 0.00 C ATOM 571 O MET A 65 -7.847 3.818 -6.196 1.00 0.00 O ATOM 572 CB MET A 65 -7.307 2.783 -8.995 1.00 0.00 C ATOM 573 CG MET A 65 -7.440 3.963 -9.968 1.00 0.00 C ATOM 574 SD MET A 65 -8.154 3.561 -11.589 1.00 0.00 S ATOM 575 CE MET A 65 -6.899 2.410 -12.204 1.00 0.00 C ATOM 0 H MET A 65 -6.988 1.240 -6.991 1.00 0.00 H new ATOM 0 HA MET A 65 -5.381 3.400 -8.229 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.987 1.903 -9.552 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.289 2.557 -8.580 1.00 0.00 H new ATOM 0 HG2 MET A 65 -8.056 4.731 -9.499 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.452 4.397 -10.123 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.914 2.404 -13.294 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.915 2.725 -11.856 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.112 1.407 -11.833 1.00 0.00 H new ATOM 585 N VAL A 66 -6.204 5.219 -6.710 1.00 0.00 N ATOM 586 CA VAL A 66 -6.609 6.266 -5.764 1.00 0.00 C ATOM 587 C VAL A 66 -7.882 6.961 -6.269 1.00 0.00 C ATOM 588 O VAL A 66 -7.900 7.418 -7.415 1.00 0.00 O ATOM 589 CB VAL A 66 -5.454 7.272 -5.654 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.741 8.526 -4.833 1.00 0.00 C ATOM 591 CG2 VAL A 66 -4.201 6.594 -5.080 1.00 0.00 C ATOM 0 H VAL A 66 -5.365 5.454 -7.241 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.825 5.838 -4.785 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.302 7.608 -6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.858 9.164 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.576 9.069 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.995 8.242 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.393 7.322 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.422 6.200 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.897 5.777 -5.735 1.00 0.00 H new ATOM 601 N MET A 67 -8.917 7.095 -5.428 1.00 0.00 N ATOM 602 CA MET A 67 -10.134 7.836 -5.781 1.00 0.00 C ATOM 603 C MET A 67 -9.853 9.328 -6.021 1.00 0.00 C ATOM 604 O MET A 67 -8.967 9.892 -5.363 1.00 0.00 O ATOM 605 CB MET A 67 -11.169 7.735 -4.652 1.00 0.00 C ATOM 606 CG MET A 67 -11.855 6.380 -4.560 1.00 0.00 C ATOM 607 SD MET A 67 -13.276 6.420 -3.447 1.00 0.00 S ATOM 608 CE MET A 67 -13.666 4.660 -3.461 1.00 0.00 C ATOM 0 H MET A 67 -8.934 6.695 -4.490 1.00 0.00 H new ATOM 0 HA MET A 67 -10.512 7.388 -6.700 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.677 7.947 -3.703 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.927 8.505 -4.798 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.180 6.069 -5.553 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.141 5.634 -4.211 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.571 4.483 -2.880 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.824 4.330 -4.488 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.839 4.101 -3.023 1.00 0.00 H new ATOM 618 N PRO A 68 -10.658 10.011 -6.862 1.00 0.00 N ATOM 619 CA PRO A 68 -10.612 11.463 -7.012 1.00 0.00 C ATOM 620 C PRO A 68 -10.763 12.153 -5.655 1.00 0.00 C ATOM 621 O PRO A 68 -11.543 11.698 -4.812 1.00 0.00 O ATOM 622 CB PRO A 68 -11.775 11.851 -7.932 1.00 0.00 C ATOM 623 CG PRO A 68 -12.190 10.546 -8.604 1.00 0.00 C ATOM 624 CD PRO A 68 -11.772 9.460 -7.623 1.00 0.00 C ATOM 0 HA PRO A 68 -9.655 11.775 -7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.600 12.285 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.467 12.594 -8.667 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.264 10.520 -8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.696 10.422 -9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.598 9.190 -6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.474 8.553 -8.149 1.00 0.00 H new ATOM 632 N GLY A 69 -10.020 13.239 -5.443 1.00 0.00 N ATOM 633 CA GLY A 69 -10.095 14.097 -4.265 1.00 0.00 C ATOM 634 C GLY A 69 -9.852 13.403 -2.924 1.00 0.00 C ATOM 635 O GLY A 69 -9.999 14.043 -1.886 1.00 0.00 O ATOM 0 H GLY A 69 -9.322 13.556 -6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.366 14.900 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.080 14.563 -4.239 1.00 0.00 H new ATOM 639 N SER A 70 -9.516 12.109 -2.898 1.00 0.00 N ATOM 640 CA SER A 70 -9.475 11.371 -1.645 1.00 0.00 C ATOM 641 C SER A 70 -8.272 11.756 -0.791 1.00 0.00 C ATOM 642 O SER A 70 -8.296 11.600 0.423 1.00 0.00 O ATOM 643 CB SER A 70 -9.524 9.869 -1.911 1.00 0.00 C ATOM 644 OG SER A 70 -8.448 9.411 -2.716 1.00 0.00 O ATOM 0 H SER A 70 -9.272 11.562 -3.724 1.00 0.00 H new ATOM 0 HA SER A 70 -10.359 11.643 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.510 9.337 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.466 9.623 -2.400 1.00 0.00 H new ATOM 0 HG SER A 70 -8.674 9.529 -3.662 1.00 0.00 H new ATOM 650 N VAL A 71 -7.203 12.225 -1.429 1.00 0.00 N ATOM 651 CA VAL A 71 -5.939 12.535 -0.805 1.00 0.00 C ATOM 652 C VAL A 71 -6.101 13.740 0.135 1.00 0.00 C ATOM 653 O VAL A 71 -6.193 14.885 -0.312 1.00 0.00 O ATOM 654 CB VAL A 71 -4.835 12.685 -1.871 1.00 0.00 C ATOM 655 CG1 VAL A 71 -3.471 12.508 -1.204 1.00 0.00 C ATOM 656 CG2 VAL A 71 -4.922 11.639 -2.998 1.00 0.00 C ATOM 0 H VAL A 71 -7.203 12.403 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.611 11.711 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.968 13.674 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.684 12.613 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.342 13.267 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.413 11.518 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.115 11.805 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.832 10.639 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.881 11.732 -3.507 1.00 0.00 H new ATOM 666 N GLN A 72 -6.145 13.485 1.441 1.00 0.00 N ATOM 667 CA GLN A 72 -6.213 14.433 2.558 1.00 0.00 C ATOM 668 C GLN A 72 -4.816 14.889 2.983 1.00 0.00 C ATOM 669 O GLN A 72 -4.541 15.134 4.160 1.00 0.00 O ATOM 670 CB GLN A 72 -6.939 13.788 3.743 1.00 0.00 C ATOM 671 CG GLN A 72 -8.248 13.123 3.315 1.00 0.00 C ATOM 672 CD GLN A 72 -9.187 12.836 4.475 1.00 0.00 C ATOM 673 OE1 GLN A 72 -9.595 13.748 5.197 1.00 0.00 O ATOM 674 NE2 GLN A 72 -9.596 11.591 4.644 1.00 0.00 N ATOM 0 H GLN A 72 -6.133 12.522 1.778 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.768 15.311 2.227 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.289 13.046 4.207 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.147 14.546 4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.756 13.767 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.021 12.189 2.801 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.245 10.852 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.262 11.369 5.384 1.00 0.00 H new ATOM 683 N ARG A 73 -3.900 14.924 2.020 1.00 0.00 N ATOM 684 CA ARG A 73 -2.584 15.522 2.186 1.00 0.00 C ATOM 685 C ARG A 73 -2.741 16.931 2.708 1.00 0.00 C ATOM 686 O ARG A 73 -3.508 17.723 2.150 1.00 0.00 O ATOM 687 CB ARG A 73 -1.751 15.482 0.900 1.00 0.00 C ATOM 688 CG ARG A 73 -2.480 15.990 -0.349 1.00 0.00 C ATOM 689 CD ARG A 73 -2.043 17.409 -0.737 1.00 0.00 C ATOM 690 NE ARG A 73 -2.768 17.906 -1.917 1.00 0.00 N ATOM 691 CZ ARG A 73 -2.410 18.942 -2.684 1.00 0.00 C ATOM 692 NH1 ARG A 73 -1.247 19.555 -2.503 1.00 0.00 N ATOM 693 NH2 ARG A 73 -3.204 19.341 -3.672 1.00 0.00 N ATOM 0 H ARG A 73 -4.055 14.532 1.091 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.028 14.929 2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.851 16.079 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.428 14.456 0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.288 15.312 -1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.555 15.979 -0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.212 18.083 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.972 17.416 -0.940 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.624 17.414 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.612 19.238 -1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.988 20.344 -3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.085 18.858 -3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.932 20.131 -4.257 1.00 0.00 H new ATOM 758 N LEU A 78 2.930 16.704 6.404 1.00 0.00 N ATOM 759 CA LEU A 78 3.177 15.426 5.726 1.00 0.00 C ATOM 760 C LEU A 78 2.125 14.382 6.072 1.00 0.00 C ATOM 761 O LEU A 78 2.147 13.276 5.533 1.00 0.00 O ATOM 762 CB LEU A 78 4.578 14.901 6.079 1.00 0.00 C ATOM 763 CG LEU A 78 5.741 15.795 5.610 1.00 0.00 C ATOM 764 CD1 LEU A 78 6.992 15.420 6.409 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.008 15.631 4.108 1.00 0.00 C ATOM 0 HA LEU A 78 3.116 15.609 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.644 14.781 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.700 13.911 5.641 1.00 0.00 H new ATOM 0 HG LEU A 78 5.477 16.839 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.828 16.043 6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.806 15.578 7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.234 14.372 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.835 16.277 3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.264 14.593 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.115 15.906 3.547 1.00 0.00 H new ATOM 777 N LYS A 79 1.171 14.698 6.950 1.00 0.00 N ATOM 778 CA LYS A 79 -0.010 13.874 7.101 1.00 0.00 C ATOM 779 C LYS A 79 -0.734 13.848 5.765 1.00 0.00 C ATOM 780 O LYS A 79 -0.881 14.874 5.095 1.00 0.00 O ATOM 781 CB LYS A 79 -0.890 14.448 8.211 1.00 0.00 C ATOM 782 CG LYS A 79 -0.725 13.654 9.518 1.00 0.00 C ATOM 783 CD LYS A 79 -1.600 12.396 9.574 1.00 0.00 C ATOM 784 CE LYS A 79 -3.093 12.756 9.617 1.00 0.00 C ATOM 785 NZ LYS A 79 -3.979 11.579 9.542 1.00 0.00 N ATOM 0 H LYS A 79 1.201 15.515 7.560 1.00 0.00 H new ATOM 0 HA LYS A 79 0.250 12.854 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.630 15.493 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.934 14.427 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.320 13.367 9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.972 14.299 10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.399 11.772 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.340 11.808 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.302 13.301 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.322 13.428 8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.971 11.889 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.805 11.070 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.786 10.947 10.345 1.00 0.00 H new ATOM 799 N VAL A 80 -1.172 12.661 5.384 1.00 0.00 N ATOM 800 CA VAL A 80 -1.937 12.427 4.179 1.00 0.00 C ATOM 801 C VAL A 80 -2.714 11.140 4.394 1.00 0.00 C ATOM 802 O VAL A 80 -2.156 10.131 4.815 1.00 0.00 O ATOM 803 CB VAL A 80 -1.028 12.389 2.933 1.00 0.00 C ATOM 804 CG1 VAL A 80 0.208 11.502 2.977 1.00 0.00 C ATOM 805 CG2 VAL A 80 -1.887 11.971 1.736 1.00 0.00 C ATOM 0 H VAL A 80 -0.999 11.812 5.922 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.634 13.243 3.987 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.618 13.397 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.745 11.580 2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.858 11.823 3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.093 10.467 3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.269 11.936 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.314 10.985 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.690 12.694 1.595 1.00 0.00 H new ATOM 815 N THR A 81 -3.989 11.135 4.046 1.00 0.00 N ATOM 816 CA THR A 81 -4.760 9.901 3.956 1.00 0.00 C ATOM 817 C THR A 81 -5.343 9.874 2.546 1.00 0.00 C ATOM 818 O THR A 81 -5.299 10.896 1.863 1.00 0.00 O ATOM 819 CB THR A 81 -5.755 9.807 5.131 1.00 0.00 C ATOM 820 OG1 THR A 81 -6.765 10.774 5.064 1.00 0.00 O ATOM 821 CG2 THR A 81 -5.044 10.000 6.476 1.00 0.00 C ATOM 0 H THR A 81 -4.518 11.977 3.819 1.00 0.00 H new ATOM 0 HA THR A 81 -4.170 8.992 4.075 1.00 0.00 H new ATOM 0 HB THR A 81 -6.194 8.812 5.055 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.369 10.670 5.829 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.771 9.929 7.285 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.285 9.228 6.601 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.570 10.981 6.500 1.00 0.00 H new ATOM 829 N PHE A 82 -5.792 8.730 2.040 1.00 0.00 N ATOM 830 CA PHE A 82 -6.509 8.642 0.768 1.00 0.00 C ATOM 831 C PHE A 82 -7.448 7.435 0.798 1.00 0.00 C ATOM 832 O PHE A 82 -7.477 6.693 1.788 1.00 0.00 O ATOM 833 CB PHE A 82 -5.559 8.649 -0.451 1.00 0.00 C ATOM 834 CG PHE A 82 -4.391 7.683 -0.515 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.181 8.017 0.117 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.463 6.489 -1.255 1.00 0.00 C ATOM 837 CE1 PHE A 82 -2.025 7.249 -0.080 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.325 5.674 -1.395 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.093 6.069 -0.842 1.00 0.00 C ATOM 0 H PHE A 82 -5.669 7.830 2.503 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.116 9.538 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.170 8.477 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.150 9.656 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.141 8.880 0.765 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.395 6.197 -1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.086 7.562 0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.397 4.739 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.208 5.471 -1.001 1.00 0.00 H new ATOM 849 N THR A 83 -8.190 7.218 -0.285 1.00 0.00 N ATOM 850 CA THR A 83 -8.934 5.995 -0.541 1.00 0.00 C ATOM 851 C THR A 83 -8.312 5.364 -1.784 1.00 0.00 C ATOM 852 O THR A 83 -7.901 6.085 -2.699 1.00 0.00 O ATOM 853 CB THR A 83 -10.421 6.301 -0.798 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.911 7.378 -0.014 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.288 5.060 -0.591 1.00 0.00 C ATOM 0 H THR A 83 -8.291 7.910 -1.028 1.00 0.00 H new ATOM 0 HA THR A 83 -8.884 5.326 0.318 1.00 0.00 H new ATOM 0 HB THR A 83 -10.486 6.609 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.857 7.528 -0.220 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.332 5.310 -0.780 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.972 4.276 -1.279 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.179 4.707 0.435 1.00 0.00 H new ATOM 863 N ILE A 84 -8.274 4.037 -1.854 1.00 0.00 N ATOM 864 CA ILE A 84 -7.838 3.289 -3.025 1.00 0.00 C ATOM 865 C ILE A 84 -8.920 2.260 -3.306 1.00 0.00 C ATOM 866 O ILE A 84 -9.446 1.675 -2.365 1.00 0.00 O ATOM 867 CB ILE A 84 -6.443 2.635 -2.816 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.920 2.625 -1.374 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.417 3.332 -3.724 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.813 1.575 -1.168 1.00 0.00 C ATOM 0 H ILE A 84 -8.553 3.438 -1.077 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.708 3.952 -3.880 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.578 1.585 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.534 3.613 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.745 2.421 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.437 2.877 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.720 3.223 -4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.366 4.391 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.473 1.603 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.205 0.583 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.976 1.794 -1.831 1.00 0.00 H new ATOM 882 N TYR A 85 -9.255 2.049 -4.574 1.00 0.00 N ATOM 883 CA TYR A 85 -10.343 1.212 -5.043 1.00 0.00 C ATOM 884 C TYR A 85 -9.889 0.418 -6.269 1.00 0.00 C ATOM 885 O TYR A 85 -8.803 0.655 -6.804 1.00 0.00 O ATOM 886 CB TYR A 85 -11.558 2.086 -5.376 1.00 0.00 C ATOM 887 CG TYR A 85 -11.414 2.851 -6.669 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.685 4.048 -6.705 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.928 2.308 -7.855 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.472 4.716 -7.919 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.729 2.968 -9.072 1.00 0.00 C ATOM 892 CZ TYR A 85 -11.031 4.198 -9.113 1.00 0.00 C ATOM 893 OH TYR A 85 -10.911 4.864 -10.297 1.00 0.00 O ATOM 0 H TYR A 85 -8.743 2.484 -5.342 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.629 0.507 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.445 1.455 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.722 2.792 -4.562 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.284 4.459 -5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.478 1.379 -7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.884 5.622 -7.944 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.110 2.536 -9.986 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.121 4.539 -10.777 1.00 0.00 H new ATOM 903 N ASP A 86 -10.715 -0.538 -6.693 1.00 0.00 N ATOM 904 CA ASP A 86 -10.594 -1.268 -7.952 1.00 0.00 C ATOM 905 C ASP A 86 -11.972 -1.899 -8.238 1.00 0.00 C ATOM 906 O ASP A 86 -13.000 -1.359 -7.804 1.00 0.00 O ATOM 907 CB ASP A 86 -9.428 -2.282 -7.927 1.00 0.00 C ATOM 908 CG ASP A 86 -8.916 -2.548 -9.348 1.00 0.00 C ATOM 909 OD1 ASP A 86 -9.544 -3.346 -10.075 1.00 0.00 O ATOM 910 OD2 ASP A 86 -7.904 -1.936 -9.762 1.00 0.00 O ATOM 0 H ASP A 86 -11.521 -0.837 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.332 -0.599 -8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.617 -1.897 -7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.760 -3.216 -7.473 1.00 0.00 H new ATOM 915 N ALA A 87 -12.043 -3.001 -8.989 1.00 0.00 N ATOM 916 CA ALA A 87 -13.265 -3.511 -9.596 1.00 0.00 C ATOM 917 C ALA A 87 -14.241 -4.090 -8.571 1.00 0.00 C ATOM 918 O ALA A 87 -15.445 -4.154 -8.835 1.00 0.00 O ATOM 919 CB ALA A 87 -12.893 -4.590 -10.611 1.00 0.00 C ATOM 0 H ALA A 87 -11.226 -3.576 -9.195 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.771 -2.674 -10.077 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.799 -4.982 -11.074 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.249 -4.161 -11.379 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.365 -5.399 -10.105 1.00 0.00 H new ATOM 925 N GLU A 88 -13.739 -4.485 -7.405 1.00 0.00 N ATOM 926 CA GLU A 88 -14.485 -5.132 -6.346 1.00 0.00 C ATOM 927 C GLU A 88 -14.838 -4.002 -5.387 1.00 0.00 C ATOM 928 O GLU A 88 -15.947 -3.471 -5.459 1.00 0.00 O ATOM 929 CB GLU A 88 -13.743 -6.324 -5.716 1.00 0.00 C ATOM 930 CG GLU A 88 -12.343 -6.622 -6.272 1.00 0.00 C ATOM 931 CD GLU A 88 -12.297 -7.351 -7.614 1.00 0.00 C ATOM 932 OE1 GLU A 88 -12.986 -8.379 -7.801 1.00 0.00 O ATOM 933 OE2 GLU A 88 -11.466 -6.960 -8.458 1.00 0.00 O ATOM 0 H GLU A 88 -12.756 -4.354 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.389 -5.621 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.655 -6.145 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.358 -7.215 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.806 -5.679 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.802 -7.219 -5.538 1.00 0.00 H new ATOM 940 N GLY A 89 -13.887 -3.524 -4.579 1.00 0.00 N ATOM 941 CA GLY A 89 -14.147 -2.610 -3.479 1.00 0.00 C ATOM 942 C GLY A 89 -12.999 -1.638 -3.255 1.00 0.00 C ATOM 943 O GLY A 89 -12.144 -1.491 -4.133 1.00 0.00 O ATOM 0 H GLY A 89 -12.902 -3.769 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.060 -2.050 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.320 -3.182 -2.567 1.00 0.00 H new ATOM 947 N SER A 90 -13.026 -0.948 -2.113 1.00 0.00 N ATOM 948 CA SER A 90 -12.080 0.101 -1.782 1.00 0.00 C ATOM 949 C SER A 90 -11.671 0.061 -0.306 1.00 0.00 C ATOM 950 O SER A 90 -12.392 -0.511 0.522 1.00 0.00 O ATOM 951 CB SER A 90 -12.692 1.429 -2.216 1.00 0.00 C ATOM 952 OG SER A 90 -13.900 1.726 -1.543 1.00 0.00 O ATOM 0 H SER A 90 -13.721 -1.111 -1.384 1.00 0.00 H new ATOM 0 HA SER A 90 -11.143 -0.044 -2.319 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.975 2.230 -2.035 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.877 1.404 -3.290 1.00 0.00 H new ATOM 0 HG SER A 90 -14.344 2.479 -1.985 1.00 0.00 H new ATOM 958 N VAL A 91 -10.541 0.690 0.036 1.00 0.00 N ATOM 959 CA VAL A 91 -10.008 0.776 1.390 1.00 0.00 C ATOM 960 C VAL A 91 -9.533 2.190 1.662 1.00 0.00 C ATOM 961 O VAL A 91 -9.122 2.920 0.752 1.00 0.00 O ATOM 962 CB VAL A 91 -8.859 -0.236 1.611 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.339 -1.679 1.462 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.666 -0.017 0.667 1.00 0.00 C ATOM 0 H VAL A 91 -9.956 1.168 -0.650 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.804 0.523 2.090 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.523 -0.059 2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.503 -2.359 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.119 -1.881 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.738 -1.828 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.896 -0.760 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.997 -0.117 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.258 0.982 0.822 1.00 0.00 H new ATOM 974 N ASP A 92 -9.540 2.543 2.943 1.00 0.00 N ATOM 975 CA ASP A 92 -8.849 3.712 3.442 1.00 0.00 C ATOM 976 C ASP A 92 -7.361 3.402 3.508 1.00 0.00 C ATOM 977 O ASP A 92 -6.972 2.272 3.829 1.00 0.00 O ATOM 978 CB ASP A 92 -9.312 4.050 4.866 1.00 0.00 C ATOM 979 CG ASP A 92 -10.726 4.599 4.898 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.927 5.781 4.543 1.00 0.00 O ATOM 981 OD2 ASP A 92 -11.651 3.850 5.279 1.00 0.00 O ATOM 0 H ASP A 92 -10.032 2.017 3.665 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.060 4.551 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.259 3.154 5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.631 4.781 5.303 1.00 0.00 H new ATOM 986 N VAL A 93 -6.525 4.425 3.349 1.00 0.00 N ATOM 987 CA VAL A 93 -5.167 4.416 3.861 1.00 0.00 C ATOM 988 C VAL A 93 -5.028 5.549 4.884 1.00 0.00 C ATOM 989 O VAL A 93 -5.759 6.544 4.815 1.00 0.00 O ATOM 990 CB VAL A 93 -4.161 4.519 2.699 1.00 0.00 C ATOM 991 CG1 VAL A 93 -4.440 3.522 1.555 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.023 5.907 2.144 1.00 0.00 C ATOM 0 H VAL A 93 -6.776 5.284 2.859 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.945 3.478 4.369 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.210 4.248 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.694 3.650 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.391 2.503 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.433 3.707 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.298 5.903 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.988 6.247 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.682 6.581 2.930 1.00 0.00 H new ATOM 1002 N SER A 94 -4.016 5.467 5.738 1.00 0.00 N ATOM 1003 CA SER A 94 -3.444 6.579 6.478 1.00 0.00 C ATOM 1004 C SER A 94 -1.939 6.523 6.260 1.00 0.00 C ATOM 1005 O SER A 94 -1.356 5.455 6.430 1.00 0.00 O ATOM 1006 CB SER A 94 -3.811 6.485 7.957 1.00 0.00 C ATOM 1007 OG SER A 94 -5.169 6.842 8.133 1.00 0.00 O ATOM 0 H SER A 94 -3.552 4.582 5.941 1.00 0.00 H new ATOM 0 HA SER A 94 -3.836 7.534 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.641 5.472 8.321 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.172 7.145 8.543 1.00 0.00 H new ATOM 0 HG SER A 94 -5.742 6.171 7.706 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.325 7.625 5.829 1.00 0.00 N ATOM 1014 CA TYR A 95 0.108 7.790 5.679 1.00 0.00 C ATOM 1015 C TYR A 95 0.533 9.058 6.429 1.00 0.00 C ATOM 1016 O TYR A 95 -0.288 9.884 6.847 1.00 0.00 O ATOM 1017 CB TYR A 95 0.439 7.882 4.176 1.00 0.00 C ATOM 1018 CG TYR A 95 1.913 7.918 3.794 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.845 7.110 4.465 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.360 8.769 2.767 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.219 7.229 4.196 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.726 8.826 2.414 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.669 8.100 3.180 1.00 0.00 C ATOM 1024 OH TYR A 95 6.008 8.257 2.977 1.00 0.00 O ATOM 0 H TYR A 95 -1.844 8.462 5.564 1.00 0.00 H new ATOM 0 HA TYR A 95 0.652 6.943 6.098 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -0.020 7.030 3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.036 8.779 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.503 6.391 5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.648 9.388 2.241 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.932 6.653 4.767 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.048 9.417 1.569 1.00 0.00 H new ATOM 0 HH TYR A 95 6.302 7.658 2.259 1.00 0.00 H new ATOM 1034 N GLU A 96 1.833 9.237 6.594 1.00 0.00 N ATOM 1035 CA GLU A 96 2.422 10.405 7.213 1.00 0.00 C ATOM 1036 C GLU A 96 3.846 10.435 6.694 1.00 0.00 C ATOM 1037 O GLU A 96 4.727 9.752 7.220 1.00 0.00 O ATOM 1038 CB GLU A 96 2.336 10.325 8.742 1.00 0.00 C ATOM 1039 CG GLU A 96 2.985 11.548 9.405 1.00 0.00 C ATOM 1040 CD GLU A 96 2.815 11.512 10.922 1.00 0.00 C ATOM 1041 OE1 GLU A 96 3.105 10.468 11.550 1.00 0.00 O ATOM 1042 OE2 GLU A 96 2.397 12.540 11.500 1.00 0.00 O ATOM 0 H GLU A 96 2.525 8.552 6.291 1.00 0.00 H new ATOM 0 HA GLU A 96 1.898 11.328 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.291 10.256 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.829 9.417 9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.046 11.579 9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.538 12.459 9.008 1.00 0.00 H new ATOM 1049 N GLY A 97 4.060 11.145 5.598 1.00 0.00 N ATOM 1050 CA GLY A 97 5.359 11.139 4.959 1.00 0.00 C ATOM 1051 C GLY A 97 5.323 11.856 3.628 1.00 0.00 C ATOM 1052 O GLY A 97 4.316 12.459 3.253 1.00 0.00 O ATOM 0 H GLY A 97 3.358 11.725 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.089 11.617 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.689 10.111 4.811 1.00 0.00 H new ATOM 1056 N ILE A 98 6.462 11.826 2.948 1.00 0.00 N ATOM 1057 CA ILE A 98 6.632 12.479 1.672 1.00 0.00 C ATOM 1058 C ILE A 98 5.947 11.595 0.649 1.00 0.00 C ATOM 1059 O ILE A 98 6.322 10.445 0.421 1.00 0.00 O ATOM 1060 CB ILE A 98 8.112 12.775 1.371 1.00 0.00 C ATOM 1061 CG1 ILE A 98 8.299 13.567 0.063 1.00 0.00 C ATOM 1062 CG2 ILE A 98 8.970 11.506 1.294 1.00 0.00 C ATOM 1063 CD1 ILE A 98 7.468 14.848 -0.022 1.00 0.00 C ATOM 0 H ILE A 98 7.297 11.341 3.276 1.00 0.00 H new ATOM 0 HA ILE A 98 6.173 13.467 1.656 1.00 0.00 H new ATOM 0 HB ILE A 98 8.448 13.380 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.353 13.824 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.040 12.923 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.003 11.778 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.924 10.977 2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.593 10.859 0.502 1.00 0.00 H new ATOM 0 HD11 ILE A 98 7.660 15.343 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.409 14.600 0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.742 15.515 0.796 1.00 0.00 H new ATOM 1075 N LEU A 99 4.877 12.120 0.084 1.00 0.00 N ATOM 1076 CA LEU A 99 4.180 11.430 -0.974 1.00 0.00 C ATOM 1077 C LEU A 99 5.004 11.620 -2.248 1.00 0.00 C ATOM 1078 O LEU A 99 5.597 12.687 -2.424 1.00 0.00 O ATOM 1079 CB LEU A 99 2.754 11.978 -1.071 1.00 0.00 C ATOM 1080 CG LEU A 99 1.726 10.957 -1.593 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.758 9.610 -0.853 1.00 0.00 C ATOM 1082 CD2 LEU A 99 0.350 11.542 -1.313 1.00 0.00 C ATOM 0 H LEU A 99 4.475 13.021 0.342 1.00 0.00 H new ATOM 0 HA LEU A 99 4.079 10.360 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.440 12.323 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.754 12.847 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 99 1.952 10.778 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.006 8.944 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.744 9.159 -0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.546 9.770 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.417 10.853 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.232 11.698 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.248 12.495 -1.831 1.00 0.00 H new ATOM 1094 N PRO A 100 5.090 10.618 -3.136 1.00 0.00 N ATOM 1095 CA PRO A 100 5.802 10.786 -4.390 1.00 0.00 C ATOM 1096 C PRO A 100 5.174 11.947 -5.171 1.00 0.00 C ATOM 1097 O PRO A 100 3.952 12.112 -5.145 1.00 0.00 O ATOM 1098 CB PRO A 100 5.684 9.442 -5.125 1.00 0.00 C ATOM 1099 CG PRO A 100 5.221 8.444 -4.058 1.00 0.00 C ATOM 1100 CD PRO A 100 4.506 9.294 -3.028 1.00 0.00 C ATOM 0 HA PRO A 100 6.854 11.038 -4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.969 9.503 -5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.639 9.143 -5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.557 7.691 -4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.065 7.913 -3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.434 9.322 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.639 8.888 -2.025 1.00 0.00 H new ATOM 1108 N ASP A 101 5.964 12.713 -5.930 1.00 0.00 N ATOM 1109 CA ASP A 101 5.376 13.660 -6.895 1.00 0.00 C ATOM 1110 C ASP A 101 4.603 12.860 -7.948 1.00 0.00 C ATOM 1111 O ASP A 101 3.603 13.320 -8.496 1.00 0.00 O ATOM 1112 CB ASP A 101 6.411 14.521 -7.636 1.00 0.00 C ATOM 1113 CG ASP A 101 7.359 15.349 -6.773 1.00 0.00 C ATOM 1114 OD1 ASP A 101 7.010 15.769 -5.646 1.00 0.00 O ATOM 1115 OD2 ASP A 101 8.518 15.527 -7.213 1.00 0.00 O ATOM 0 H ASP A 101 6.984 12.702 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 101 4.742 14.335 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 101 7.011 13.864 -8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.876 15.199 -8.300 1.00 0.00 H new ATOM 1120 N LEU A 102 5.079 11.640 -8.218 1.00 0.00 N ATOM 1121 CA LEU A 102 4.571 10.710 -9.212 1.00 0.00 C ATOM 1122 C LEU A 102 3.161 10.243 -8.854 1.00 0.00 C ATOM 1123 O LEU A 102 2.332 10.117 -9.756 1.00 0.00 O ATOM 1124 CB LEU A 102 5.538 9.514 -9.346 1.00 0.00 C ATOM 1125 CG LEU A 102 6.781 9.835 -10.204 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.718 10.889 -9.598 1.00 0.00 C ATOM 1127 CD2 LEU A 102 7.576 8.547 -10.396 1.00 0.00 C ATOM 0 H LEU A 102 5.879 11.259 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 102 4.510 11.219 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.860 9.201 -8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.006 8.672 -9.788 1.00 0.00 H new ATOM 0 HG LEU A 102 6.410 10.250 -11.141 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.563 11.052 -10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.175 11.825 -9.465 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.082 10.540 -8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.460 8.752 -11.000 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.883 8.160 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.954 7.808 -10.901 1.00 0.00 H new ATOM 1139 N PHE A 103 2.878 10.046 -7.563 1.00 0.00 N ATOM 1140 CA PHE A 103 1.584 9.656 -7.020 1.00 0.00 C ATOM 1141 C PHE A 103 0.529 10.671 -7.466 1.00 0.00 C ATOM 1142 O PHE A 103 0.780 11.876 -7.380 1.00 0.00 O ATOM 1143 CB PHE A 103 1.726 9.563 -5.501 1.00 0.00 C ATOM 1144 CG PHE A 103 0.474 9.141 -4.776 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.493 10.111 -4.469 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.275 7.802 -4.390 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.664 9.751 -3.791 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -0.889 7.453 -3.683 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.854 8.427 -3.377 1.00 0.00 C ATOM 0 H PHE A 103 3.584 10.161 -6.836 1.00 0.00 H new ATOM 0 HA PHE A 103 1.258 8.683 -7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.521 8.855 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 103 2.041 10.534 -5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.333 11.140 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.010 7.049 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.421 10.494 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.042 6.430 -3.373 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.741 8.155 -2.824 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.635 10.232 -7.962 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.697 11.144 -8.407 1.00 0.00 C ATOM 1161 C ARG A 104 -3.067 10.733 -7.887 1.00 0.00 C ATOM 1162 O ARG A 104 -3.238 9.586 -7.487 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.619 11.374 -9.916 1.00 0.00 C ATOM 1164 CG ARG A 104 -2.527 10.587 -10.865 1.00 0.00 C ATOM 1165 CD ARG A 104 -3.233 11.620 -11.737 1.00 0.00 C ATOM 1166 NE ARG A 104 -4.094 11.002 -12.756 1.00 0.00 N ATOM 1167 CZ ARG A 104 -4.448 11.528 -13.930 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -3.801 12.569 -14.442 1.00 0.00 N ATOM 1169 NH2 ARG A 104 -5.464 10.994 -14.589 1.00 0.00 N ATOM 0 H ARG A 104 -0.866 9.244 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.530 12.122 -7.955 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.809 12.433 -10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.590 11.180 -10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.946 9.895 -11.475 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -3.249 9.991 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.835 12.274 -11.105 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.488 12.247 -12.227 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.459 10.074 -12.543 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.017 12.981 -13.936 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.088 12.956 -15.341 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.962 10.194 -14.198 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.749 11.382 -15.488 1.00 0.00 H new ATOM 1183 N GLU A 105 -4.071 11.597 -7.990 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.465 11.192 -7.890 1.00 0.00 C ATOM 1185 C GLU A 105 -5.826 10.490 -9.200 1.00 0.00 C ATOM 1186 O GLU A 105 -5.842 11.129 -10.250 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.367 12.420 -7.670 1.00 0.00 C ATOM 1188 CG GLU A 105 -6.435 12.919 -6.210 1.00 0.00 C ATOM 1189 CD GLU A 105 -5.360 13.922 -5.750 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -4.288 14.086 -6.390 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -5.587 14.579 -4.710 1.00 0.00 O ATOM 0 H GLU A 105 -3.940 12.597 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.612 10.523 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.010 13.234 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.376 12.177 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.411 13.379 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -6.386 12.049 -5.555 1.00 0.00 H new ATOM 1198 N GLY A 106 -6.097 9.184 -9.180 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.437 8.433 -10.383 1.00 0.00 C ATOM 1200 C GLY A 106 -5.202 8.043 -11.186 1.00 0.00 C ATOM 1201 O GLY A 106 -5.119 8.288 -12.394 1.00 0.00 O ATOM 0 H GLY A 106 -6.086 8.621 -8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.986 7.534 -10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.100 9.031 -11.007 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.200 7.473 -10.525 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.356 6.431 -11.121 1.00 0.00 C ATOM 1207 C GLN A 107 -3.469 5.141 -10.292 1.00 0.00 C ATOM 1208 O GLN A 107 -4.349 5.031 -9.440 1.00 0.00 O ATOM 1209 CB GLN A 107 -1.912 6.924 -11.315 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.254 7.380 -10.022 1.00 0.00 C ATOM 1211 CD GLN A 107 0.214 7.697 -10.172 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.987 7.385 -9.289 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.649 8.344 -11.235 1.00 0.00 N ATOM 0 H GLN A 107 -3.947 7.715 -9.567 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.711 6.196 -12.124 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.318 6.123 -11.754 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.910 7.750 -12.027 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.773 8.265 -9.652 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.374 6.602 -9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.002 8.605 -11.975 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.637 8.584 -11.317 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.623 4.148 -10.566 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.478 2.947 -9.756 1.00 0.00 C ATOM 1224 C GLY A 108 -1.208 3.085 -8.928 1.00 0.00 C ATOM 1225 O GLY A 108 -0.218 3.638 -9.414 1.00 0.00 O ATOM 0 H GLY A 108 -2.006 4.161 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.344 2.819 -9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.424 2.063 -10.392 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.263 2.638 -7.677 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.260 2.869 -6.645 1.00 0.00 C ATOM 1231 C VAL A 109 -0.165 1.600 -5.786 1.00 0.00 C ATOM 1232 O VAL A 109 -0.917 0.642 -5.982 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.623 4.134 -5.819 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -1.144 5.294 -6.669 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.596 3.820 -4.680 1.00 0.00 C ATOM 0 H VAL A 109 -2.046 2.078 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 109 0.720 3.064 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 109 0.320 4.465 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.377 6.142 -6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.382 5.586 -7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.045 4.982 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.821 4.734 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.518 3.408 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.144 3.093 -4.005 1.00 0.00 H new ATOM 1245 N VAL A 110 0.727 1.586 -4.797 1.00 0.00 N ATOM 1246 CA VAL A 110 0.888 0.510 -3.832 1.00 0.00 C ATOM 1247 C VAL A 110 0.933 1.146 -2.459 1.00 0.00 C ATOM 1248 O VAL A 110 1.505 2.226 -2.284 1.00 0.00 O ATOM 1249 CB VAL A 110 2.122 -0.336 -4.190 1.00 0.00 C ATOM 1250 CG1 VAL A 110 2.911 -1.025 -3.102 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.777 -1.380 -5.260 1.00 0.00 C ATOM 0 H VAL A 110 1.380 2.355 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 110 0.056 -0.194 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 110 2.797 0.449 -4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.742 -1.572 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.297 -0.281 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.263 -1.720 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.665 -1.966 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.996 -2.041 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.425 -0.876 -6.160 1.00 0.00 H new ATOM 1261 N VAL A 111 0.324 0.479 -1.484 1.00 0.00 N ATOM 1262 CA VAL A 111 0.580 0.743 -0.091 1.00 0.00 C ATOM 1263 C VAL A 111 1.390 -0.403 0.505 1.00 0.00 C ATOM 1264 O VAL A 111 1.439 -1.508 -0.028 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.787 0.988 0.564 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -1.151 0.081 1.734 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.889 2.468 0.903 1.00 0.00 C ATOM 0 H VAL A 111 -0.360 -0.259 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 111 1.193 1.628 0.080 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.545 0.705 -0.167 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.137 0.351 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.162 -0.957 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.414 0.199 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.853 2.669 1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.089 2.740 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.799 3.057 -0.009 1.00 0.00 H new ATOM 1277 N GLN A 112 1.972 -0.149 1.664 1.00 0.00 N ATOM 1278 CA GLN A 112 2.613 -1.125 2.532 1.00 0.00 C ATOM 1279 C GLN A 112 2.621 -0.529 3.920 1.00 0.00 C ATOM 1280 O GLN A 112 2.828 0.674 4.007 1.00 0.00 O ATOM 1281 CB GLN A 112 4.055 -1.384 2.054 1.00 0.00 C ATOM 1282 CG GLN A 112 4.824 -2.352 2.964 1.00 0.00 C ATOM 1283 CD GLN A 112 5.930 -3.110 2.234 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.859 -4.327 2.057 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.952 -2.424 1.761 1.00 0.00 N ATOM 0 H GLN A 112 2.013 0.795 2.047 1.00 0.00 H new ATOM 0 HA GLN A 112 2.082 -2.077 2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.029 -1.788 1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.591 -0.436 2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.260 -1.793 3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.125 -3.068 3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.004 -1.417 1.912 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.691 -2.901 1.244 1.00 0.00 H new ATOM 1294 N GLY A 113 2.453 -1.335 4.963 1.00 0.00 N ATOM 1295 CA GLY A 113 2.594 -0.959 6.359 1.00 0.00 C ATOM 1296 C GLY A 113 1.830 -1.974 7.190 1.00 0.00 C ATOM 1297 O GLY A 113 2.264 -3.126 7.201 1.00 0.00 O ATOM 0 H GLY A 113 2.202 -2.317 4.848 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.645 -0.943 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.203 0.044 6.526 1.00 0.00 H new ATOM 1301 N GLU A 114 0.689 -1.624 7.798 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.039 -2.502 8.718 1.00 0.00 C ATOM 1303 C GLU A 114 -1.530 -2.353 8.488 1.00 0.00 C ATOM 1304 O GLU A 114 -1.964 -1.417 7.824 1.00 0.00 O ATOM 1305 CB GLU A 114 0.345 -2.177 10.176 1.00 0.00 C ATOM 1306 CG GLU A 114 1.139 -3.297 10.868 1.00 0.00 C ATOM 1307 CD GLU A 114 2.103 -2.827 11.968 1.00 0.00 C ATOM 1308 OE1 GLU A 114 1.782 -1.898 12.741 1.00 0.00 O ATOM 1309 OE2 GLU A 114 3.220 -3.392 12.068 1.00 0.00 O ATOM 0 H GLU A 114 0.243 -0.716 7.663 1.00 0.00 H new ATOM 0 HA GLU A 114 0.233 -3.540 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.936 -1.261 10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.563 -1.981 10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.434 -4.006 11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.710 -3.837 10.113 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.309 -3.309 8.977 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.766 -3.234 8.991 1.00 0.00 C ATOM 1318 C LEU A 115 -4.247 -2.565 10.280 1.00 0.00 C ATOM 1319 O LEU A 115 -3.688 -2.829 11.337 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.313 -4.650 8.827 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.728 -4.729 8.235 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -5.918 -4.073 6.859 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.155 -6.186 8.060 1.00 0.00 C ATOM 0 H LEU A 115 -1.942 -4.171 9.381 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.135 -2.621 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.635 -5.215 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.314 -5.139 9.801 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.329 -4.179 8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.954 -4.190 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.676 -3.012 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.259 -4.551 6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.160 -6.223 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.461 -6.690 7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.149 -6.686 9.029 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.273 -1.716 10.185 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.770 -0.904 11.296 1.00 0.00 C ATOM 1337 C GLU A 116 -7.011 -1.582 11.886 1.00 0.00 C ATOM 1338 O GLU A 116 -6.916 -2.263 12.898 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.010 0.547 10.805 1.00 0.00 C ATOM 1340 CG GLU A 116 -5.609 1.635 11.812 1.00 0.00 C ATOM 1341 CD GLU A 116 -6.720 2.259 12.640 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -7.528 1.510 13.224 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -6.692 3.508 12.777 1.00 0.00 O ATOM 0 H GLU A 116 -5.790 -1.572 9.318 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.040 -0.832 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.452 0.701 9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.066 0.665 10.563 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.877 1.208 12.497 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.107 2.433 11.265 1.00 0.00 H new ATOM 1350 N LYS A 117 -8.160 -1.443 11.222 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.509 -1.943 11.507 1.00 0.00 C ATOM 1352 C LYS A 117 -10.347 -1.546 10.291 1.00 0.00 C ATOM 1353 O LYS A 117 -9.876 -0.743 9.492 1.00 0.00 O ATOM 1354 CB LYS A 117 -10.077 -1.250 12.763 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.963 -2.101 14.037 1.00 0.00 C ATOM 1356 CD LYS A 117 -11.203 -2.973 14.292 1.00 0.00 C ATOM 1357 CE LYS A 117 -11.432 -4.066 13.244 1.00 0.00 C ATOM 1358 NZ LYS A 117 -12.593 -4.898 13.607 1.00 0.00 N ATOM 0 H LYS A 117 -8.167 -0.905 10.355 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.513 -3.018 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.552 -0.307 12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.125 -1.006 12.591 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.085 -2.742 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.806 -1.444 14.893 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.109 -3.440 15.272 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -12.083 -2.331 14.328 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.595 -3.612 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.542 -4.690 13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.733 -5.633 12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.424 -5.347 14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -13.443 -4.302 13.663 1.00 0.00 H new ATOM 1372 N GLY A 118 -11.556 -2.081 10.105 1.00 0.00 N ATOM 1373 CA GLY A 118 -12.444 -1.631 9.034 1.00 0.00 C ATOM 1374 C GLY A 118 -11.805 -1.677 7.649 1.00 0.00 C ATOM 1375 O GLY A 118 -12.176 -0.877 6.793 1.00 0.00 O ATOM 0 H GLY A 118 -11.942 -2.827 10.684 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -13.340 -2.251 9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.764 -0.610 9.244 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.839 -2.582 7.438 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.086 -2.789 6.201 1.00 0.00 C ATOM 1381 C ASN A 119 -9.091 -1.662 5.870 1.00 0.00 C ATOM 1382 O ASN A 119 -8.460 -1.710 4.816 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.035 -3.083 5.031 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.037 -4.194 5.342 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -11.660 -5.446 5.175 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -13.175 -3.960 5.733 1.00 0.00 N flip ATOM 0 H ASN A 119 -10.548 -3.226 8.173 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.461 -3.666 6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.577 -2.174 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.449 -3.364 4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.480 -2.996 5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.817 -4.729 5.925 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.927 -0.678 6.756 1.00 0.00 N ATOM 1394 CA HIS A 120 -8.027 0.464 6.644 1.00 0.00 C ATOM 1395 C HIS A 120 -6.581 -0.002 6.808 1.00 0.00 C ATOM 1396 O HIS A 120 -6.290 -0.813 7.688 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.398 1.441 7.770 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.536 2.658 7.998 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.442 3.334 9.198 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.659 3.247 7.130 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.520 4.295 9.048 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -6.045 4.295 7.798 1.00 0.00 N ATOM 0 H HIS A 120 -9.456 -0.660 7.628 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.120 0.944 5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.414 1.788 7.582 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.421 0.875 8.702 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -7.977 3.138 10.044 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.477 2.949 6.108 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.205 4.974 9.827 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.682 0.551 5.998 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.248 0.313 5.998 1.00 0.00 C ATOM 1412 C ILE A 121 -3.513 1.519 6.588 1.00 0.00 C ATOM 1413 O ILE A 121 -3.701 2.645 6.126 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.788 0.092 4.535 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.700 -0.786 3.643 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.375 -0.487 4.598 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.650 -2.273 3.984 1.00 0.00 C ATOM 0 H ILE A 121 -5.957 1.220 5.279 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.021 -0.564 6.604 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.835 1.062 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.728 -0.436 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.410 -0.652 2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.007 -0.660 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.716 0.216 5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.392 -1.430 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.315 -2.822 3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.631 -2.640 3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -4.969 -2.421 5.016 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.558 1.279 7.486 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.471 2.219 7.698 1.00 0.00 C ATOM 1431 C LEU A 122 -0.516 1.970 6.554 1.00 0.00 C ATOM 1432 O LEU A 122 0.145 0.935 6.499 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.716 1.986 9.017 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.336 2.655 10.246 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.503 4.173 10.106 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.700 2.063 10.549 1.00 0.00 C ATOM 0 H LEU A 122 -2.519 0.445 8.072 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.866 3.234 7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.655 0.913 9.198 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.306 2.348 8.902 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.633 2.465 11.057 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.948 4.576 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.528 4.633 9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.152 4.391 9.258 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.123 2.553 11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.360 2.215 9.695 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.598 0.995 10.744 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.482 2.892 5.607 1.00 0.00 N ATOM 1449 CA ALA A 123 0.672 3.116 4.781 1.00 0.00 C ATOM 1450 C ALA A 123 1.876 3.530 5.649 1.00 0.00 C ATOM 1451 O ALA A 123 1.777 4.401 6.513 1.00 0.00 O ATOM 1452 CB ALA A 123 0.346 4.230 3.807 1.00 0.00 C ATOM 0 H ALA A 123 -1.267 3.508 5.395 1.00 0.00 H new ATOM 0 HA ALA A 123 0.928 2.201 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.209 4.419 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.505 3.938 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.099 5.136 4.360 1.00 0.00 H new ATOM 1458 N LYS A 124 3.041 2.976 5.338 1.00 0.00 N ATOM 1459 CA LYS A 124 4.346 3.262 5.921 1.00 0.00 C ATOM 1460 C LYS A 124 5.288 3.871 4.882 1.00 0.00 C ATOM 1461 O LYS A 124 6.336 4.402 5.244 1.00 0.00 O ATOM 1462 CB LYS A 124 4.870 1.994 6.629 1.00 0.00 C ATOM 1463 CG LYS A 124 5.735 0.999 5.828 1.00 0.00 C ATOM 1464 CD LYS A 124 7.214 1.419 5.799 1.00 0.00 C ATOM 1465 CE LYS A 124 8.188 0.249 5.967 1.00 0.00 C ATOM 1466 NZ LYS A 124 8.442 -0.481 4.712 1.00 0.00 N ATOM 0 H LYS A 124 3.103 2.259 4.615 1.00 0.00 H new ATOM 0 HA LYS A 124 4.271 4.030 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.451 2.315 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.007 1.448 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.648 0.006 6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.357 0.929 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.422 1.921 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.392 2.146 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.133 0.625 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.789 -0.444 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.169 -1.478 4.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.883 -0.057 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.453 -0.424 4.476 1.00 0.00 H new ATOM 1480 N GLU A 125 4.924 3.843 3.594 1.00 0.00 N ATOM 1481 CA GLU A 125 5.741 4.414 2.534 1.00 0.00 C ATOM 1482 C GLU A 125 4.950 4.984 1.366 1.00 0.00 C ATOM 1483 O GLU A 125 5.262 6.096 0.959 1.00 0.00 O ATOM 1484 CB GLU A 125 6.772 3.364 2.088 1.00 0.00 C ATOM 1485 CG GLU A 125 6.125 2.180 1.360 1.00 0.00 C ATOM 1486 CD GLU A 125 6.907 0.871 1.357 1.00 0.00 C ATOM 1487 OE1 GLU A 125 7.172 0.312 2.443 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.058 0.277 0.265 1.00 0.00 O ATOM 0 H GLU A 125 4.055 3.423 3.265 1.00 0.00 H new ATOM 0 HA GLU A 125 6.252 5.285 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.504 3.834 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.314 2.998 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.151 1.994 1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.946 2.473 0.325 1.00 0.00 H new ATOM 1495 N VAL A 126 3.948 4.257 0.853 1.00 0.00 N ATOM 1496 CA VAL A 126 3.293 4.489 -0.430 1.00 0.00 C ATOM 1497 C VAL A 126 4.301 4.467 -1.593 1.00 0.00 C ATOM 1498 O VAL A 126 5.435 4.933 -1.507 1.00 0.00 O ATOM 1499 CB VAL A 126 2.473 5.785 -0.363 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.767 6.083 -1.697 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.406 5.710 0.734 1.00 0.00 C ATOM 0 H VAL A 126 3.558 3.455 1.349 1.00 0.00 H new ATOM 0 HA VAL A 126 2.600 3.673 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 126 3.182 6.583 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.197 7.008 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.511 6.189 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.092 5.263 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.842 6.642 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.729 4.881 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 126 1.887 5.553 1.699 1.00 0.00 H new ATOM 1511 N LEU A 127 3.884 3.890 -2.715 1.00 0.00 N ATOM 1512 CA LEU A 127 4.644 3.853 -3.959 1.00 0.00 C ATOM 1513 C LEU A 127 3.657 4.093 -5.095 1.00 0.00 C ATOM 1514 O LEU A 127 2.457 3.904 -4.887 1.00 0.00 O ATOM 1515 CB LEU A 127 5.283 2.469 -4.100 1.00 0.00 C ATOM 1516 CG LEU A 127 6.349 2.139 -3.038 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.589 0.637 -3.060 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.658 2.899 -3.239 1.00 0.00 C ATOM 0 H LEU A 127 2.981 3.421 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 127 5.430 4.608 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.497 1.715 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.738 2.393 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 127 5.973 2.459 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.341 0.378 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.659 0.117 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.939 0.339 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.364 2.620 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.078 2.649 -4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.467 3.971 -3.190 1.00 0.00 H new ATOM 1530 N ALA A 128 4.130 4.455 -6.289 1.00 0.00 N ATOM 1531 CA ALA A 128 3.293 4.761 -7.453 1.00 0.00 C ATOM 1532 C ALA A 128 3.682 3.919 -8.691 1.00 0.00 C ATOM 1533 O ALA A 128 3.498 4.334 -9.836 1.00 0.00 O ATOM 1534 CB ALA A 128 3.279 6.287 -7.660 1.00 0.00 C ATOM 0 H ALA A 128 5.128 4.546 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 128 2.261 4.459 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.660 6.531 -8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.871 6.771 -6.772 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.296 6.640 -7.831 1.00 0.00 H new ATOM 1540 N LYS A 129 4.207 2.707 -8.480 1.00 0.00 N ATOM 1541 CA LYS A 129 4.523 1.695 -9.502 1.00 0.00 C ATOM 1542 C LYS A 129 5.336 2.206 -10.693 1.00 0.00 C ATOM 1543 O LYS A 129 5.121 1.807 -11.841 1.00 0.00 O ATOM 1544 CB LYS A 129 3.233 0.921 -9.878 1.00 0.00 C ATOM 1545 CG LYS A 129 3.022 -0.295 -8.959 1.00 0.00 C ATOM 1546 CD LYS A 129 3.291 -1.632 -9.634 1.00 0.00 C ATOM 1547 CE LYS A 129 2.090 -1.995 -10.502 1.00 0.00 C ATOM 1548 NZ LYS A 129 2.243 -3.321 -11.110 1.00 0.00 N ATOM 0 H LYS A 129 4.437 2.385 -7.540 1.00 0.00 H new ATOM 0 HA LYS A 129 5.222 0.986 -9.058 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.373 1.587 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.294 0.590 -10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 129 3.674 -0.200 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.997 -0.285 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 129 4.193 -1.572 -10.243 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.463 -2.405 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.184 -1.974 -9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.967 -1.247 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.408 -3.534 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.094 -3.333 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 2.335 -4.037 -10.362 1.00 0.00 H new