USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 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 26 TYR OH : rot 49:sc= 1.43 USER MOD Set 1.2: A 65 SER OG : rot 68:sc= 1.15 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 100:sc= 0.00211 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc=-0.00314 USER MOD Single : A 43 SER OG : rot -170:sc= 0.0908 USER MOD Single : A 58 GLN : amide:sc= -0.0506 X(o=-0.051,f=-0.051) USER MOD Single : A 63 SER OG : rot -130:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.537 K(o=-0.54,f=-0.0032) USER MOD Single : A 72 LYS NZ :NH3+ -94:sc= -0.0886 (180deg=-0.986) USER MOD Single : A 73 THR OG1 : rot -32:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 5.123 0.583 6.633 1.00 0.00 N ATOM 71 CA LEU A 3 4.517 -0.714 7.019 1.00 0.00 C ATOM 72 C LEU A 3 4.696 -1.791 5.924 1.00 0.00 C ATOM 73 O LEU A 3 5.007 -1.448 4.784 1.00 0.00 O ATOM 74 CB LEU A 3 3.007 -0.539 7.309 1.00 0.00 C ATOM 75 CG LEU A 3 2.571 0.156 8.614 1.00 0.00 C ATOM 76 CD1 LEU A 3 3.319 -0.368 9.843 1.00 0.00 C ATOM 77 CD2 LEU A 3 2.652 1.684 8.574 1.00 0.00 C ATOM 0 HA LEU A 3 5.036 -1.049 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.575 0.020 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.553 -1.530 7.297 1.00 0.00 H new ATOM 0 HG LEU A 3 1.517 -0.106 8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.971 0.158 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.131 -1.436 9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.389 -0.199 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.327 2.091 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.680 1.989 8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.006 2.062 7.782 1.00 0.00 H new ATOM 89 N ARG A 4 4.459 -3.079 6.254 1.00 0.00 N ATOM 90 CA ARG A 4 4.675 -4.279 5.406 1.00 0.00 C ATOM 91 C ARG A 4 3.456 -5.228 5.359 1.00 0.00 C ATOM 92 O ARG A 4 2.555 -5.094 6.186 1.00 0.00 O ATOM 93 CB ARG A 4 5.938 -5.027 5.880 1.00 0.00 C ATOM 94 CG ARG A 4 5.874 -5.461 7.357 1.00 0.00 C ATOM 95 CD ARG A 4 7.024 -6.408 7.711 1.00 0.00 C ATOM 96 NE ARG A 4 7.099 -6.633 9.168 1.00 0.00 N ATOM 97 CZ ARG A 4 8.014 -7.340 9.818 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.961 -7.997 9.188 1.00 0.00 N ATOM 99 NH2 ARG A 4 7.991 -7.401 11.129 1.00 0.00 N ATOM 0 H ARG A 4 4.090 -3.327 7.172 1.00 0.00 H new ATOM 0 HA ARG A 4 4.814 -3.928 4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.085 -5.909 5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.807 -4.385 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.915 -4.581 7.999 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.922 -5.954 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.885 -7.361 7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.966 -5.990 7.356 1.00 0.00 H new ATOM 0 HE ARG A 4 6.370 -6.199 9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.008 -7.973 8.169 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.650 -8.531 9.717 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.268 -6.904 11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.696 -7.945 11.627 1.00 0.00 H new ATOM 113 N ILE A 5 3.464 -6.241 4.470 1.00 0.00 N ATOM 114 CA ILE A 5 2.373 -7.232 4.292 1.00 0.00 C ATOM 115 C ILE A 5 1.937 -7.854 5.622 1.00 0.00 C ATOM 116 O ILE A 5 0.747 -7.887 5.923 1.00 0.00 O ATOM 117 CB ILE A 5 2.732 -8.315 3.237 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.508 -9.005 2.589 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.776 -9.351 3.696 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.595 -9.841 3.497 1.00 0.00 C ATOM 0 H ILE A 5 4.248 -6.401 3.837 1.00 0.00 H new ATOM 0 HA ILE A 5 1.515 -6.684 3.903 1.00 0.00 H new ATOM 0 HB ILE A 5 3.214 -7.726 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.898 -8.233 2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.872 -9.653 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.960 -10.063 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.706 -8.842 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.402 -9.881 4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.218 -10.262 2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.172 -10.648 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.183 -9.207 4.282 1.00 0.00 H new ATOM 132 N ARG A 6 2.891 -8.260 6.471 1.00 0.00 N ATOM 133 CA ARG A 6 2.629 -8.822 7.801 1.00 0.00 C ATOM 134 C ARG A 6 1.753 -7.898 8.663 1.00 0.00 C ATOM 135 O ARG A 6 0.944 -8.392 9.443 1.00 0.00 O ATOM 136 CB ARG A 6 3.981 -9.186 8.444 1.00 0.00 C ATOM 137 CG ARG A 6 3.853 -9.895 9.801 1.00 0.00 C ATOM 138 CD ARG A 6 5.196 -10.491 10.263 1.00 0.00 C ATOM 139 NE ARG A 6 5.315 -11.930 9.947 1.00 0.00 N ATOM 140 CZ ARG A 6 4.857 -12.948 10.669 1.00 0.00 C ATOM 141 NH1 ARG A 6 4.200 -12.765 11.792 1.00 0.00 N ATOM 142 NH2 ARG A 6 5.050 -14.184 10.274 1.00 0.00 N ATOM 0 H ARG A 6 3.885 -8.206 6.247 1.00 0.00 H new ATOM 0 HA ARG A 6 2.037 -9.733 7.714 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.536 -9.828 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.567 -8.276 8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.493 -9.188 10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.109 -10.688 9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.013 -9.949 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.302 -10.348 11.338 1.00 0.00 H new ATOM 0 HE ARG A 6 5.801 -12.167 9.082 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.028 -11.820 12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.862 -13.568 12.322 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.555 -14.369 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.695 -14.960 10.834 1.00 0.00 H new ATOM 156 N THR A 7 1.858 -6.573 8.485 1.00 0.00 N ATOM 157 CA THR A 7 1.043 -5.554 9.164 1.00 0.00 C ATOM 158 C THR A 7 -0.326 -5.330 8.505 1.00 0.00 C ATOM 159 O THR A 7 -1.251 -4.880 9.173 1.00 0.00 O ATOM 160 CB THR A 7 1.797 -4.208 9.227 1.00 0.00 C ATOM 161 OG1 THR A 7 3.163 -4.398 9.543 1.00 0.00 O ATOM 162 CG2 THR A 7 1.189 -3.264 10.273 1.00 0.00 C ATOM 0 H THR A 7 2.537 -6.167 7.841 1.00 0.00 H new ATOM 0 HA THR A 7 0.865 -5.938 10.168 1.00 0.00 H new ATOM 0 HB THR A 7 1.704 -3.760 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.615 -3.529 9.574 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.747 -2.328 10.287 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.148 -3.062 10.020 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.239 -3.731 11.257 1.00 0.00 H new ATOM 170 N ILE A 8 -0.486 -5.685 7.225 1.00 0.00 N ATOM 171 CA ILE A 8 -1.796 -5.801 6.574 1.00 0.00 C ATOM 172 C ILE A 8 -2.501 -7.054 7.114 1.00 0.00 C ATOM 173 O ILE A 8 -3.616 -6.975 7.628 1.00 0.00 O ATOM 174 CB ILE A 8 -1.660 -5.820 5.030 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.819 -4.616 4.541 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.060 -5.815 4.395 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.702 -4.473 3.019 1.00 0.00 C ATOM 0 H ILE A 8 0.296 -5.902 6.607 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.404 -4.927 6.808 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.139 -6.728 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.256 -3.702 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.184 -4.701 4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.967 -5.828 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.611 -6.696 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.596 -4.917 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.094 -3.600 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.233 -5.366 2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.696 -4.351 2.588 1.00 0.00 H new ATOM 189 N ALA A 9 -1.822 -8.206 7.064 1.00 0.00 N ATOM 190 CA ALA A 9 -2.323 -9.489 7.553 1.00 0.00 C ATOM 191 C ALA A 9 -2.762 -9.442 9.031 1.00 0.00 C ATOM 192 O ALA A 9 -3.824 -9.979 9.367 1.00 0.00 O ATOM 193 CB ALA A 9 -1.243 -10.550 7.305 1.00 0.00 C ATOM 0 H ALA A 9 -0.883 -8.270 6.671 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.229 -9.747 7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.595 -11.518 7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.032 -10.612 6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.333 -10.275 7.839 1.00 0.00 H new ATOM 199 N ARG A 10 -2.001 -8.754 9.907 1.00 0.00 N ATOM 200 CA ARG A 10 -2.311 -8.611 11.343 1.00 0.00 C ATOM 201 C ARG A 10 -3.696 -8.022 11.641 1.00 0.00 C ATOM 202 O ARG A 10 -4.168 -8.168 12.765 1.00 0.00 O ATOM 203 CB ARG A 10 -1.192 -7.842 12.083 1.00 0.00 C ATOM 204 CG ARG A 10 -1.365 -6.310 12.167 1.00 0.00 C ATOM 205 CD ARG A 10 -2.108 -5.840 13.434 1.00 0.00 C ATOM 206 NE ARG A 10 -3.360 -5.112 13.134 1.00 0.00 N ATOM 207 CZ ARG A 10 -4.423 -5.004 13.932 1.00 0.00 C ATOM 208 NH1 ARG A 10 -4.456 -5.548 15.126 1.00 0.00 N ATOM 209 NH2 ARG A 10 -5.483 -4.332 13.550 1.00 0.00 N ATOM 0 H ARG A 10 -1.143 -8.276 9.632 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.351 -9.628 11.732 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.117 -8.235 13.097 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.244 -8.054 11.588 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.382 -5.840 12.137 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.910 -5.966 11.288 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.338 -6.705 14.056 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.450 -5.195 14.016 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.416 -4.647 12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.652 -6.073 15.470 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.286 -5.446 15.710 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.500 -3.885 12.633 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.290 -4.257 14.170 1.00 0.00 H new ATOM 223 N MET A 11 -4.354 -7.382 10.662 1.00 0.00 N ATOM 224 CA MET A 11 -5.701 -6.833 10.827 1.00 0.00 C ATOM 225 C MET A 11 -6.714 -7.871 11.323 1.00 0.00 C ATOM 226 O MET A 11 -7.549 -7.520 12.151 1.00 0.00 O ATOM 227 CB MET A 11 -6.185 -6.175 9.525 1.00 0.00 C ATOM 228 CG MET A 11 -5.455 -4.857 9.242 1.00 0.00 C ATOM 229 SD MET A 11 -5.767 -3.579 10.486 1.00 0.00 S ATOM 230 CE MET A 11 -4.482 -2.382 10.052 1.00 0.00 C ATOM 0 H MET A 11 -3.962 -7.232 9.732 1.00 0.00 H new ATOM 0 HA MET A 11 -5.633 -6.071 11.604 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.030 -6.861 8.693 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.257 -5.989 9.589 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.383 -5.048 9.190 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.760 -4.484 8.264 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.537 -1.528 10.727 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.502 -2.852 10.140 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.631 -2.044 9.027 1.00 0.00 H new ATOM 240 N THR A 12 -6.627 -9.128 10.855 1.00 0.00 N ATOM 241 CA THR A 12 -7.434 -10.251 11.386 1.00 0.00 C ATOM 242 C THR A 12 -6.747 -11.626 11.338 1.00 0.00 C ATOM 243 O THR A 12 -7.318 -12.601 11.825 1.00 0.00 O ATOM 244 CB THR A 12 -8.793 -10.381 10.662 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.583 -10.578 9.282 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.710 -9.165 10.803 1.00 0.00 C ATOM 0 H THR A 12 -5.998 -9.399 10.099 1.00 0.00 H new ATOM 0 HA THR A 12 -7.571 -9.982 12.433 1.00 0.00 H new ATOM 0 HB THR A 12 -9.284 -11.228 11.141 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.675 -11.530 9.070 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.640 -9.346 10.263 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.929 -8.995 11.857 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.215 -8.286 10.389 1.00 0.00 H new ATOM 254 N GLY A 13 -5.569 -11.765 10.717 1.00 0.00 N ATOM 255 CA GLY A 13 -4.942 -13.062 10.456 1.00 0.00 C ATOM 256 C GLY A 13 -5.626 -13.838 9.326 1.00 0.00 C ATOM 257 O GLY A 13 -4.947 -14.256 8.394 1.00 0.00 O ATOM 0 H GLY A 13 -5.022 -10.973 10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.893 -12.908 10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.965 -13.661 11.367 1.00 0.00 H new ATOM 261 N ILE A 14 -6.959 -13.997 9.365 1.00 0.00 N ATOM 262 CA ILE A 14 -7.739 -14.816 8.415 1.00 0.00 C ATOM 263 C ILE A 14 -7.464 -14.419 6.956 1.00 0.00 C ATOM 264 O ILE A 14 -7.393 -15.279 6.078 1.00 0.00 O ATOM 265 CB ILE A 14 -9.261 -14.883 8.768 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.219 -13.948 7.983 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.530 -14.658 10.269 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.692 -14.518 6.635 1.00 0.00 C ATOM 0 H ILE A 14 -7.541 -13.550 10.074 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.385 -15.841 8.522 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.494 -15.901 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.091 -13.738 8.602 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.717 -12.997 7.806 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.602 -14.715 10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.017 -15.425 10.849 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.161 -13.675 10.561 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.357 -13.803 6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.829 -14.702 5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.225 -15.454 6.803 1.00 0.00 H new ATOM 280 N ARG A 15 -7.250 -13.118 6.703 1.00 0.00 N ATOM 281 CA ARG A 15 -6.929 -12.592 5.372 1.00 0.00 C ATOM 282 C ARG A 15 -5.549 -13.005 4.864 1.00 0.00 C ATOM 283 O ARG A 15 -5.350 -12.949 3.656 1.00 0.00 O ATOM 284 CB ARG A 15 -7.062 -11.057 5.314 1.00 0.00 C ATOM 285 CG ARG A 15 -8.400 -10.501 5.817 1.00 0.00 C ATOM 286 CD ARG A 15 -9.618 -11.243 5.247 1.00 0.00 C ATOM 287 NE ARG A 15 -10.899 -10.552 5.474 1.00 0.00 N ATOM 288 CZ ARG A 15 -11.523 -10.202 6.590 1.00 0.00 C ATOM 289 NH1 ARG A 15 -11.056 -10.374 7.804 1.00 0.00 N ATOM 290 NH2 ARG A 15 -12.687 -9.614 6.472 1.00 0.00 N ATOM 0 H ARG A 15 -7.296 -12.398 7.424 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.667 -13.044 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.258 -10.616 5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.916 -10.734 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.424 -10.559 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.470 -9.446 5.553 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.477 -11.383 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.668 -12.236 5.694 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.395 -10.297 4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.143 -10.808 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.605 -10.074 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.080 -9.442 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.201 -9.328 7.305 1.00 0.00 H new ATOM 304 N GLU A 16 -4.610 -13.442 5.709 1.00 0.00 N ATOM 305 CA GLU A 16 -3.256 -13.830 5.280 1.00 0.00 C ATOM 306 C GLU A 16 -3.298 -14.913 4.196 1.00 0.00 C ATOM 307 O GLU A 16 -2.626 -14.790 3.172 1.00 0.00 O ATOM 308 CB GLU A 16 -2.438 -14.294 6.492 1.00 0.00 C ATOM 309 CG GLU A 16 -0.938 -14.415 6.172 1.00 0.00 C ATOM 310 CD GLU A 16 -0.379 -15.797 6.521 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.881 -16.782 5.925 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.543 -15.865 7.358 1.00 0.00 O ATOM 0 H GLU A 16 -4.764 -13.538 6.713 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.772 -12.957 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.577 -13.590 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.813 -15.259 6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.778 -14.218 5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.388 -13.653 6.725 1.00 0.00 H new ATOM 319 N ALA A 17 -4.175 -15.910 4.374 1.00 0.00 N ATOM 320 CA ALA A 17 -4.436 -16.980 3.415 1.00 0.00 C ATOM 321 C ALA A 17 -4.922 -16.476 2.043 1.00 0.00 C ATOM 322 O ALA A 17 -4.703 -17.135 1.029 1.00 0.00 O ATOM 323 CB ALA A 17 -5.464 -17.928 4.044 1.00 0.00 C ATOM 0 H ALA A 17 -4.739 -15.992 5.220 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.497 -17.494 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.681 -18.741 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.061 -18.339 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.381 -17.379 4.259 1.00 0.00 H new ATOM 329 N THR A 18 -5.563 -15.302 2.013 1.00 0.00 N ATOM 330 CA THR A 18 -6.046 -14.612 0.815 1.00 0.00 C ATOM 331 C THR A 18 -4.973 -13.674 0.245 1.00 0.00 C ATOM 332 O THR A 18 -4.711 -13.719 -0.954 1.00 0.00 O ATOM 333 CB THR A 18 -7.353 -13.885 1.180 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.374 -14.842 1.312 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.829 -12.876 0.153 1.00 0.00 C ATOM 0 H THR A 18 -5.768 -14.783 2.867 1.00 0.00 H new ATOM 0 HA THR A 18 -6.256 -15.325 0.018 1.00 0.00 H new ATOM 0 HB THR A 18 -7.139 -13.339 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.214 -14.394 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.755 -12.416 0.497 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.069 -12.106 0.020 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.006 -13.380 -0.797 1.00 0.00 H new ATOM 343 N LEU A 19 -4.300 -12.882 1.089 1.00 0.00 N ATOM 344 CA LEU A 19 -3.195 -11.990 0.728 1.00 0.00 C ATOM 345 C LEU A 19 -2.037 -12.762 0.066 1.00 0.00 C ATOM 346 O LEU A 19 -1.618 -12.425 -1.042 1.00 0.00 O ATOM 347 CB LEU A 19 -2.709 -11.249 1.990 1.00 0.00 C ATOM 348 CG LEU A 19 -3.723 -10.266 2.617 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.401 -10.016 4.102 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.704 -8.918 1.897 1.00 0.00 C ATOM 0 H LEU A 19 -4.521 -12.845 2.084 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.555 -11.266 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.435 -11.989 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.802 -10.698 1.740 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.707 -10.724 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.129 -9.321 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.445 -10.959 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.401 -9.591 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.428 -8.248 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.708 -8.482 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.963 -9.062 0.848 1.00 0.00 H new ATOM 362 N ARG A 20 -1.541 -13.823 0.727 1.00 0.00 N ATOM 363 CA ARG A 20 -0.456 -14.675 0.213 1.00 0.00 C ATOM 364 C ARG A 20 -0.858 -15.457 -1.043 1.00 0.00 C ATOM 365 O ARG A 20 -0.012 -15.748 -1.883 1.00 0.00 O ATOM 366 CB ARG A 20 0.040 -15.613 1.330 1.00 0.00 C ATOM 367 CG ARG A 20 -0.830 -16.872 1.483 1.00 0.00 C ATOM 368 CD ARG A 20 -0.599 -17.594 2.808 1.00 0.00 C ATOM 369 NE ARG A 20 -1.294 -18.891 2.804 1.00 0.00 N ATOM 370 CZ ARG A 20 -1.778 -19.561 3.843 1.00 0.00 C ATOM 371 NH1 ARG A 20 -1.713 -19.129 5.078 1.00 0.00 N ATOM 372 NH2 ARG A 20 -2.377 -20.708 3.635 1.00 0.00 N ATOM 0 H ARG A 20 -1.886 -14.115 1.641 1.00 0.00 H new ATOM 0 HA ARG A 20 0.361 -14.023 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.067 -15.910 1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.054 -15.070 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.881 -16.593 1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.619 -17.556 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.469 -17.745 2.968 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.961 -16.981 3.633 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.419 -19.329 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.272 -18.232 5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.103 -19.689 5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.465 -21.073 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.755 -21.236 4.422 1.00 0.00 H new ATOM 386 N ALA A 21 -2.148 -15.791 -1.179 1.00 0.00 N ATOM 387 CA ALA A 21 -2.702 -16.339 -2.407 1.00 0.00 C ATOM 388 C ALA A 21 -2.594 -15.288 -3.514 1.00 0.00 C ATOM 389 O ALA A 21 -1.952 -15.552 -4.532 1.00 0.00 O ATOM 390 CB ALA A 21 -4.146 -16.823 -2.184 1.00 0.00 C ATOM 0 H ALA A 21 -2.834 -15.685 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.133 -17.215 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.541 -17.229 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.156 -17.598 -1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.765 -15.986 -1.862 1.00 0.00 H new ATOM 396 N TRP A 22 -3.164 -14.092 -3.303 1.00 0.00 N ATOM 397 CA TRP A 22 -3.097 -12.996 -4.266 1.00 0.00 C ATOM 398 C TRP A 22 -1.678 -12.670 -4.725 1.00 0.00 C ATOM 399 O TRP A 22 -1.517 -12.385 -5.908 1.00 0.00 O ATOM 400 CB TRP A 22 -3.721 -11.717 -3.732 1.00 0.00 C ATOM 401 CG TRP A 22 -5.152 -11.683 -3.320 1.00 0.00 C ATOM 402 CD1 TRP A 22 -6.147 -12.470 -3.777 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.774 -10.739 -2.400 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.341 -12.059 -3.219 1.00 0.00 N ATOM 405 CE2 TRP A 22 -7.175 -10.975 -2.390 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.297 -9.697 -1.583 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -8.060 -10.214 -1.612 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -6.170 -8.928 -0.793 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.549 -9.189 -0.797 1.00 0.00 C ATOM 0 H TRP A 22 -3.684 -13.863 -2.456 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.666 -13.362 -5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.131 -11.409 -2.869 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.589 -10.952 -4.497 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.029 -13.291 -4.469 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.240 -12.506 -3.400 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.239 -9.484 -1.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -9.121 -10.413 -1.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.777 -8.131 -0.179 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.214 -8.606 -0.177 1.00 0.00 H new ATOM 420 N GLU A 23 -0.662 -12.781 -3.858 1.00 0.00 N ATOM 421 CA GLU A 23 0.755 -12.632 -4.227 1.00 0.00 C ATOM 422 C GLU A 23 1.139 -13.458 -5.471 1.00 0.00 C ATOM 423 O GLU A 23 1.859 -12.958 -6.334 1.00 0.00 O ATOM 424 CB GLU A 23 1.644 -13.015 -3.029 1.00 0.00 C ATOM 425 CG GLU A 23 3.040 -12.380 -3.123 1.00 0.00 C ATOM 426 CD GLU A 23 4.037 -12.952 -2.106 1.00 0.00 C ATOM 427 OE1 GLU A 23 3.608 -13.279 -0.976 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.234 -13.025 -2.469 1.00 0.00 O ATOM 0 H GLU A 23 -0.802 -12.979 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 23 0.916 -11.586 -4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.163 -12.697 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.741 -14.100 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.432 -12.529 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.953 -11.304 -2.971 1.00 0.00 H new ATOM 435 N ARG A 24 0.609 -14.690 -5.600 1.00 0.00 N ATOM 436 CA ARG A 24 0.800 -15.565 -6.769 1.00 0.00 C ATOM 437 C ARG A 24 -0.390 -15.548 -7.750 1.00 0.00 C ATOM 438 O ARG A 24 -0.234 -15.964 -8.894 1.00 0.00 O ATOM 439 CB ARG A 24 1.103 -16.998 -6.280 1.00 0.00 C ATOM 440 CG ARG A 24 1.867 -17.830 -7.333 1.00 0.00 C ATOM 441 CD ARG A 24 1.339 -19.266 -7.510 1.00 0.00 C ATOM 442 NE ARG A 24 2.261 -20.293 -6.987 1.00 0.00 N ATOM 443 CZ ARG A 24 2.376 -20.733 -5.741 1.00 0.00 C ATOM 444 NH1 ARG A 24 1.675 -20.223 -4.757 1.00 0.00 N ATOM 445 NH2 ARG A 24 3.218 -21.699 -5.459 1.00 0.00 N ATOM 0 H ARG A 24 0.024 -15.112 -4.878 1.00 0.00 H new ATOM 0 HA ARG A 24 1.645 -15.178 -7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.691 -16.950 -5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.168 -17.500 -6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.816 -17.316 -8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.919 -17.874 -7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.378 -19.358 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.160 -19.453 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 24 2.889 -20.718 -7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.017 -19.465 -4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.787 -20.585 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.786 -22.113 -6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.305 -22.036 -4.500 1.00 0.00 H new ATOM 459 N ARG A 25 -1.574 -15.087 -7.318 1.00 0.00 N ATOM 460 CA ARG A 25 -2.836 -15.112 -8.086 1.00 0.00 C ATOM 461 C ARG A 25 -3.057 -13.858 -8.952 1.00 0.00 C ATOM 462 O ARG A 25 -3.659 -13.973 -10.015 1.00 0.00 O ATOM 463 CB ARG A 25 -4.000 -15.334 -7.099 1.00 0.00 C ATOM 464 CG ARG A 25 -5.167 -16.184 -7.611 1.00 0.00 C ATOM 465 CD ARG A 25 -6.172 -16.382 -6.461 1.00 0.00 C ATOM 466 NE ARG A 25 -6.981 -17.599 -6.616 1.00 0.00 N ATOM 467 CZ ARG A 25 -8.081 -17.768 -7.331 1.00 0.00 C ATOM 468 NH1 ARG A 25 -8.598 -16.833 -8.091 1.00 0.00 N ATOM 469 NH2 ARG A 25 -8.688 -18.928 -7.300 1.00 0.00 N ATOM 0 H ARG A 25 -1.687 -14.672 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.783 -15.934 -8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.602 -15.804 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.389 -14.360 -6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.650 -15.693 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.805 -17.148 -7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.631 -16.428 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.832 -15.516 -6.408 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.652 -18.419 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.149 -15.919 -8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.449 -17.019 -8.621 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.312 -19.686 -6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.537 -19.074 -7.846 1.00 0.00 H new ATOM 483 N TYR A 26 -2.568 -12.687 -8.510 1.00 0.00 N ATOM 484 CA TYR A 26 -2.695 -11.388 -9.205 1.00 0.00 C ATOM 485 C TYR A 26 -1.530 -10.416 -8.953 1.00 0.00 C ATOM 486 O TYR A 26 -1.175 -9.644 -9.841 1.00 0.00 O ATOM 487 CB TYR A 26 -3.978 -10.653 -8.770 1.00 0.00 C ATOM 488 CG TYR A 26 -5.242 -11.482 -8.790 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.960 -11.684 -9.985 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.664 -12.095 -7.598 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.076 -12.542 -9.998 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.769 -12.958 -7.612 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.467 -13.203 -8.812 1.00 0.00 C ATOM 494 OH TYR A 26 -8.497 -14.094 -8.823 1.00 0.00 O ATOM 0 H TYR A 26 -2.056 -12.613 -7.631 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.708 -11.654 -10.262 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.832 -10.270 -7.760 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.120 -9.790 -9.421 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.655 -11.181 -10.891 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.139 -11.902 -6.674 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.631 -12.694 -10.912 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.087 -13.438 -6.698 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.373 -14.728 -9.560 1.00 0.00 H new ATOM 504 N GLY A 27 -0.981 -10.402 -7.732 1.00 0.00 N ATOM 505 CA GLY A 27 0.040 -9.467 -7.260 1.00 0.00 C ATOM 506 C GLY A 27 -0.483 -8.347 -6.347 1.00 0.00 C ATOM 507 O GLY A 27 0.331 -7.590 -5.837 1.00 0.00 O ATOM 0 H GLY A 27 -1.251 -11.075 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.805 -10.027 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.525 -9.014 -8.125 1.00 0.00 H new ATOM 511 N PHE A 28 -1.801 -8.221 -6.140 1.00 0.00 N ATOM 512 CA PHE A 28 -2.428 -7.236 -5.243 1.00 0.00 C ATOM 513 C PHE A 28 -2.544 -7.772 -3.797 1.00 0.00 C ATOM 514 O PHE A 28 -2.908 -8.927 -3.629 1.00 0.00 O ATOM 515 CB PHE A 28 -3.826 -6.908 -5.790 1.00 0.00 C ATOM 516 CG PHE A 28 -4.760 -6.165 -4.847 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.581 -6.883 -3.953 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.838 -4.761 -4.879 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.514 -6.209 -3.145 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.757 -4.087 -4.058 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.610 -4.810 -3.208 1.00 0.00 C ATOM 0 H PHE A 28 -2.483 -8.820 -6.606 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.805 -6.342 -5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.708 -6.312 -6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.307 -7.841 -6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.493 -7.957 -3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.190 -4.200 -5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.155 -6.766 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.808 -3.008 -4.080 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.339 -4.290 -2.604 1.00 0.00 H new ATOM 531 N PRO A 29 -2.329 -6.961 -2.746 1.00 0.00 N ATOM 532 CA PRO A 29 -1.651 -5.681 -2.810 1.00 0.00 C ATOM 533 C PRO A 29 -0.186 -5.908 -3.185 1.00 0.00 C ATOM 534 O PRO A 29 0.439 -6.888 -2.761 1.00 0.00 O ATOM 535 CB PRO A 29 -1.795 -5.080 -1.418 1.00 0.00 C ATOM 536 CG PRO A 29 -1.865 -6.305 -0.499 1.00 0.00 C ATOM 537 CD PRO A 29 -2.585 -7.336 -1.362 1.00 0.00 C ATOM 0 HA PRO A 29 -2.068 -5.010 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.949 -4.440 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.693 -4.467 -1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.873 -6.647 -0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.414 -6.091 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.216 -8.341 -1.157 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.655 -7.340 -1.152 1.00 0.00 H new ATOM 545 N ARG A 30 0.370 -4.984 -3.963 1.00 0.00 N ATOM 546 CA ARG A 30 1.720 -5.101 -4.488 1.00 0.00 C ATOM 547 C ARG A 30 2.696 -4.389 -3.548 1.00 0.00 C ATOM 548 O ARG A 30 2.522 -3.194 -3.298 1.00 0.00 O ATOM 549 CB ARG A 30 1.767 -4.551 -5.925 1.00 0.00 C ATOM 550 CG ARG A 30 2.387 -5.557 -6.911 1.00 0.00 C ATOM 551 CD ARG A 30 3.539 -4.953 -7.708 1.00 0.00 C ATOM 552 NE ARG A 30 3.973 -5.901 -8.750 1.00 0.00 N ATOM 553 CZ ARG A 30 4.469 -5.604 -9.944 1.00 0.00 C ATOM 554 NH1 ARG A 30 4.760 -4.370 -10.277 1.00 0.00 N ATOM 555 NH2 ARG A 30 4.671 -6.547 -10.832 1.00 0.00 N ATOM 0 H ARG A 30 -0.109 -4.129 -4.247 1.00 0.00 H new ATOM 0 HA ARG A 30 2.022 -6.147 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.757 -4.301 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.344 -3.627 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.746 -6.427 -6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.618 -5.909 -7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.225 -4.014 -8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.372 -4.722 -7.044 1.00 0.00 H new ATOM 0 HE ARG A 30 3.882 -6.893 -8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.606 -3.612 -9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.140 -4.167 -11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.446 -7.516 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.053 -6.312 -11.748 1.00 0.00 H new ATOM 569 N PRO A 31 3.724 -5.080 -3.022 1.00 0.00 N ATOM 570 CA PRO A 31 4.748 -4.407 -2.241 1.00 0.00 C ATOM 571 C PRO A 31 5.511 -3.420 -3.122 1.00 0.00 C ATOM 572 O PRO A 31 5.760 -3.681 -4.304 1.00 0.00 O ATOM 573 CB PRO A 31 5.660 -5.500 -1.693 1.00 0.00 C ATOM 574 CG PRO A 31 5.421 -6.714 -2.589 1.00 0.00 C ATOM 575 CD PRO A 31 4.049 -6.484 -3.224 1.00 0.00 C ATOM 0 HA PRO A 31 4.322 -3.828 -1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.705 -5.191 -1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.422 -5.726 -0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.197 -6.800 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.437 -7.638 -2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.069 -6.728 -4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.297 -7.125 -2.764 1.00 0.00 H new ATOM 583 N LEU A 32 5.893 -2.285 -2.537 1.00 0.00 N ATOM 584 CA LEU A 32 6.694 -1.288 -3.231 1.00 0.00 C ATOM 585 C LEU A 32 8.141 -1.807 -3.343 1.00 0.00 C ATOM 586 O LEU A 32 8.589 -2.608 -2.515 1.00 0.00 O ATOM 587 CB LEU A 32 6.615 0.084 -2.525 1.00 0.00 C ATOM 588 CG LEU A 32 5.257 0.494 -1.901 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.321 1.960 -1.467 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.041 0.338 -2.824 1.00 0.00 C ATOM 0 H LEU A 32 5.656 -2.036 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 32 6.301 -1.132 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.366 0.099 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.898 0.850 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 32 5.111 -0.192 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.367 2.251 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.114 2.087 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.528 2.587 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.140 0.650 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.175 0.958 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.943 -0.706 -3.123 1.00 0.00 H new ATOM 732 N VAL A 41 7.633 -3.275 1.802 1.00 0.00 N ATOM 733 CA VAL A 41 6.749 -2.232 2.331 1.00 0.00 C ATOM 734 C VAL A 41 5.544 -1.965 1.421 1.00 0.00 C ATOM 735 O VAL A 41 5.536 -2.341 0.250 1.00 0.00 O ATOM 736 CB VAL A 41 7.511 -0.914 2.599 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.409 -1.038 3.838 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.339 -0.435 1.396 1.00 0.00 C ATOM 0 HA VAL A 41 6.372 -2.615 3.279 1.00 0.00 H new ATOM 0 HB VAL A 41 6.746 -0.159 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.933 -0.097 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.797 -1.270 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.136 -1.835 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.848 0.494 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.077 -1.194 1.137 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.680 -0.265 0.545 1.00 0.00 H new ATOM 748 N TYR A 42 4.524 -1.307 1.979 1.00 0.00 N ATOM 749 CA TYR A 42 3.220 -1.076 1.351 1.00 0.00 C ATOM 750 C TYR A 42 2.705 0.355 1.549 1.00 0.00 C ATOM 751 O TYR A 42 3.155 1.084 2.434 1.00 0.00 O ATOM 752 CB TYR A 42 2.217 -2.089 1.917 1.00 0.00 C ATOM 753 CG TYR A 42 2.369 -3.476 1.337 1.00 0.00 C ATOM 754 CD1 TYR A 42 3.415 -4.322 1.748 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.468 -3.915 0.354 1.00 0.00 C ATOM 756 CE1 TYR A 42 3.562 -5.601 1.191 1.00 0.00 C ATOM 757 CE2 TYR A 42 1.598 -5.207 -0.175 1.00 0.00 C ATOM 758 CZ TYR A 42 2.631 -6.062 0.240 1.00 0.00 C ATOM 759 OH TYR A 42 2.727 -7.315 -0.279 1.00 0.00 O ATOM 0 H TYR A 42 4.586 -0.906 2.915 1.00 0.00 H new ATOM 0 HA TYR A 42 3.336 -1.209 0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.337 -2.141 2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.205 -1.732 1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.112 -3.983 2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.680 -3.262 0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.387 -6.231 1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.891 -5.551 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 42 1.999 -7.461 -0.919 1.00 0.00 H new ATOM 769 N SER A 43 1.718 0.741 0.738 1.00 0.00 N ATOM 770 CA SER A 43 1.067 2.060 0.811 1.00 0.00 C ATOM 771 C SER A 43 -0.298 1.999 1.526 1.00 0.00 C ATOM 772 O SER A 43 -0.959 0.956 1.585 1.00 0.00 O ATOM 773 CB SER A 43 0.888 2.621 -0.595 1.00 0.00 C ATOM 774 OG SER A 43 0.006 1.718 -1.211 1.00 0.00 O ATOM 0 H SER A 43 1.341 0.143 0.002 1.00 0.00 H new ATOM 0 HA SER A 43 1.713 2.714 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.476 3.630 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.838 2.677 -1.127 1.00 0.00 H new ATOM 0 HG SER A 43 -0.044 1.912 -2.170 1.00 0.00 H new ATOM 780 N ARG A 44 -0.748 3.151 2.053 1.00 0.00 N ATOM 781 CA ARG A 44 -2.076 3.271 2.679 1.00 0.00 C ATOM 782 C ARG A 44 -3.217 3.123 1.665 1.00 0.00 C ATOM 783 O ARG A 44 -4.262 2.597 2.030 1.00 0.00 O ATOM 784 CB ARG A 44 -2.231 4.581 3.486 1.00 0.00 C ATOM 785 CG ARG A 44 -1.877 4.432 4.980 1.00 0.00 C ATOM 786 CD ARG A 44 -0.444 4.839 5.342 1.00 0.00 C ATOM 787 NE ARG A 44 -0.297 6.307 5.384 1.00 0.00 N ATOM 788 CZ ARG A 44 0.602 7.007 6.065 1.00 0.00 C ATOM 789 NH1 ARG A 44 1.564 6.434 6.751 1.00 0.00 N ATOM 790 NH2 ARG A 44 0.547 8.317 6.073 1.00 0.00 N ATOM 0 H ARG A 44 -0.208 4.016 2.057 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.147 2.440 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.593 5.347 3.045 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.259 4.932 3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.571 5.035 5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.031 3.394 5.274 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.178 4.417 6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.250 4.423 4.612 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.961 6.844 4.827 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.639 5.417 6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.236 7.006 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.187 8.800 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.239 8.853 6.597 1.00 0.00 H new ATOM 804 N GLU A 45 -3.018 3.530 0.408 1.00 0.00 N ATOM 805 CA GLU A 45 -3.981 3.309 -0.682 1.00 0.00 C ATOM 806 C GLU A 45 -4.198 1.816 -0.989 1.00 0.00 C ATOM 807 O GLU A 45 -5.342 1.395 -1.170 1.00 0.00 O ATOM 808 CB GLU A 45 -3.573 4.100 -1.939 1.00 0.00 C ATOM 809 CG GLU A 45 -2.145 3.817 -2.427 1.00 0.00 C ATOM 810 CD GLU A 45 -1.793 4.598 -3.693 1.00 0.00 C ATOM 811 OE1 GLU A 45 -2.361 4.271 -4.757 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.924 5.490 -3.572 1.00 0.00 O ATOM 0 H GLU A 45 -2.178 4.027 0.113 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.945 3.688 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.272 3.868 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.669 5.166 -1.731 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.438 4.072 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.035 2.750 -2.620 1.00 0.00 H new ATOM 819 N GLU A 46 -3.132 0.999 -0.962 1.00 0.00 N ATOM 820 CA GLU A 46 -3.274 -0.456 -1.024 1.00 0.00 C ATOM 821 C GLU A 46 -4.073 -0.957 0.179 1.00 0.00 C ATOM 822 O GLU A 46 -5.040 -1.684 -0.014 1.00 0.00 O ATOM 823 CB GLU A 46 -1.906 -1.159 -1.116 1.00 0.00 C ATOM 824 CG GLU A 46 -1.297 -1.158 -2.530 1.00 0.00 C ATOM 825 CD GLU A 46 -1.921 -2.206 -3.467 1.00 0.00 C ATOM 826 OE1 GLU A 46 -3.137 -2.463 -3.352 1.00 0.00 O ATOM 827 OE2 GLU A 46 -1.166 -2.788 -4.280 1.00 0.00 O ATOM 0 H GLU A 46 -2.168 1.325 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.820 -0.705 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.211 -0.672 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.015 -2.190 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.422 -0.169 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.225 -1.341 -2.456 1.00 0.00 H new ATOM 834 N VAL A 47 -3.736 -0.540 1.409 1.00 0.00 N ATOM 835 CA VAL A 47 -4.529 -0.911 2.595 1.00 0.00 C ATOM 836 C VAL A 47 -5.998 -0.492 2.480 1.00 0.00 C ATOM 837 O VAL A 47 -6.846 -1.310 2.816 1.00 0.00 O ATOM 838 CB VAL A 47 -3.880 -0.433 3.909 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.819 -0.550 5.120 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.647 -1.300 4.195 1.00 0.00 C ATOM 0 H VAL A 47 -2.928 0.049 1.609 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.529 -2.000 2.630 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.628 0.619 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.305 -0.198 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.709 0.057 4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.111 -1.592 5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.179 -0.972 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.950 -2.343 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.936 -1.203 3.375 1.00 0.00 H new ATOM 850 N GLU A 48 -6.327 0.708 1.986 1.00 0.00 N ATOM 851 CA GLU A 48 -7.717 1.129 1.743 1.00 0.00 C ATOM 852 C GLU A 48 -8.452 0.147 0.815 1.00 0.00 C ATOM 853 O GLU A 48 -9.482 -0.426 1.193 1.00 0.00 O ATOM 854 CB GLU A 48 -7.738 2.559 1.171 1.00 0.00 C ATOM 855 CG GLU A 48 -9.154 3.153 1.083 1.00 0.00 C ATOM 856 CD GLU A 48 -9.748 3.408 2.476 1.00 0.00 C ATOM 857 OE1 GLU A 48 -10.349 2.468 3.054 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.559 4.542 2.971 1.00 0.00 O ATOM 0 H GLU A 48 -5.637 1.418 1.742 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.249 1.124 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.119 3.203 1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.291 2.553 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.123 4.088 0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.801 2.472 0.530 1.00 0.00 H new ATOM 865 N ALA A 49 -7.894 -0.086 -0.381 1.00 0.00 N ATOM 866 CA ALA A 49 -8.421 -1.050 -1.340 1.00 0.00 C ATOM 867 C ALA A 49 -8.562 -2.440 -0.707 1.00 0.00 C ATOM 868 O ALA A 49 -9.654 -3.004 -0.691 1.00 0.00 O ATOM 869 CB ALA A 49 -7.516 -1.076 -2.574 1.00 0.00 C ATOM 0 H ALA A 49 -7.057 0.397 -0.707 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.422 -0.745 -1.647 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.905 -1.795 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.490 -0.085 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.508 -1.366 -2.280 1.00 0.00 H new ATOM 875 N VAL A 50 -7.473 -2.979 -0.149 1.00 0.00 N ATOM 876 CA VAL A 50 -7.405 -4.297 0.489 1.00 0.00 C ATOM 877 C VAL A 50 -8.422 -4.436 1.607 1.00 0.00 C ATOM 878 O VAL A 50 -9.113 -5.443 1.652 1.00 0.00 O ATOM 879 CB VAL A 50 -5.998 -4.561 1.037 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.911 -5.812 1.921 1.00 0.00 C ATOM 881 CG2 VAL A 50 -5.012 -4.753 -0.108 1.00 0.00 C ATOM 0 H VAL A 50 -6.579 -2.489 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.639 -5.036 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.755 -3.688 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.887 -5.938 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.578 -5.701 2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.205 -6.688 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.017 -4.940 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.322 -5.603 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.991 -3.854 -0.724 1.00 0.00 H new ATOM 891 N ARG A 51 -8.529 -3.458 2.509 1.00 0.00 N ATOM 892 CA ARG A 51 -9.487 -3.466 3.615 1.00 0.00 C ATOM 893 C ARG A 51 -10.927 -3.546 3.103 1.00 0.00 C ATOM 894 O ARG A 51 -11.700 -4.335 3.644 1.00 0.00 O ATOM 895 CB ARG A 51 -9.204 -2.252 4.514 1.00 0.00 C ATOM 896 CG ARG A 51 -10.233 -2.039 5.630 1.00 0.00 C ATOM 897 CD ARG A 51 -11.193 -0.913 5.237 1.00 0.00 C ATOM 898 NE ARG A 51 -12.309 -0.813 6.185 1.00 0.00 N ATOM 899 CZ ARG A 51 -13.010 0.280 6.451 1.00 0.00 C ATOM 900 NH1 ARG A 51 -12.762 1.433 5.874 1.00 0.00 N ATOM 901 NH2 ARG A 51 -13.997 0.218 7.315 1.00 0.00 N ATOM 0 H ARG A 51 -7.942 -2.624 2.490 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.364 -4.361 4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.218 -2.369 4.963 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.167 -1.356 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.789 -2.960 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.727 -1.790 6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.654 0.034 5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.579 -1.094 4.234 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.569 -1.663 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.006 1.511 5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.325 2.251 6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.218 -0.666 7.774 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.543 1.053 7.527 1.00 0.00 H new ATOM 915 N ARG A 52 -11.279 -2.797 2.045 1.00 0.00 N ATOM 916 CA ARG A 52 -12.554 -2.979 1.333 1.00 0.00 C ATOM 917 C ARG A 52 -12.669 -4.378 0.720 1.00 0.00 C ATOM 918 O ARG A 52 -13.595 -5.103 1.079 1.00 0.00 O ATOM 919 CB ARG A 52 -12.779 -1.881 0.276 1.00 0.00 C ATOM 920 CG ARG A 52 -13.316 -0.564 0.875 1.00 0.00 C ATOM 921 CD ARG A 52 -14.408 0.106 0.012 1.00 0.00 C ATOM 922 NE ARG A 52 -13.942 1.211 -0.846 1.00 0.00 N ATOM 923 CZ ARG A 52 -13.245 1.138 -1.968 1.00 0.00 C ATOM 924 NH1 ARG A 52 -12.632 0.060 -2.375 1.00 0.00 N ATOM 925 NH2 ARG A 52 -13.152 2.176 -2.734 1.00 0.00 N ATOM 0 H ARG A 52 -10.693 -2.055 1.662 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.348 -2.884 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.839 -1.682 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.482 -2.245 -0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.720 -0.764 1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.487 0.132 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.866 -0.655 -0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.188 0.484 0.672 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.188 2.151 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.675 -0.792 -1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.110 0.070 -3.252 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.615 3.046 -2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.616 2.124 -3.600 1.00 0.00 H new ATOM 939 N VAL A 53 -11.739 -4.773 -0.161 1.00 0.00 N ATOM 940 CA VAL A 53 -11.706 -6.082 -0.836 1.00 0.00 C ATOM 941 C VAL A 53 -11.880 -7.221 0.175 1.00 0.00 C ATOM 942 O VAL A 53 -12.809 -8.007 0.058 1.00 0.00 O ATOM 943 CB VAL A 53 -10.433 -6.237 -1.708 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.293 -7.655 -2.273 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.417 -5.242 -2.884 1.00 0.00 C ATOM 0 H VAL A 53 -10.962 -4.171 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.551 -6.138 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.594 -6.028 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.388 -7.718 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.232 -8.369 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.160 -7.887 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.508 -5.385 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.287 -5.414 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.444 -4.223 -2.499 1.00 0.00 H new ATOM 955 N ALA A 54 -11.039 -7.287 1.206 1.00 0.00 N ATOM 956 CA ALA A 54 -11.039 -8.300 2.253 1.00 0.00 C ATOM 957 C ALA A 54 -12.324 -8.341 3.091 1.00 0.00 C ATOM 958 O ALA A 54 -12.653 -9.413 3.612 1.00 0.00 O ATOM 959 CB ALA A 54 -9.801 -8.066 3.124 1.00 0.00 C ATOM 0 H ALA A 54 -10.300 -6.596 1.338 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.004 -9.281 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.770 -8.810 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.904 -8.153 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.847 -7.068 3.561 1.00 0.00 H new ATOM 965 N ARG A 55 -13.060 -7.225 3.225 1.00 0.00 N ATOM 966 CA ARG A 55 -14.429 -7.205 3.764 1.00 0.00 C ATOM 967 C ARG A 55 -15.434 -7.741 2.747 1.00 0.00 C ATOM 968 O ARG A 55 -16.244 -8.581 3.117 1.00 0.00 O ATOM 969 CB ARG A 55 -14.802 -5.787 4.242 1.00 0.00 C ATOM 970 CG ARG A 55 -14.664 -5.645 5.771 1.00 0.00 C ATOM 971 CD ARG A 55 -16.037 -5.636 6.460 1.00 0.00 C ATOM 972 NE ARG A 55 -16.742 -4.367 6.197 1.00 0.00 N ATOM 973 CZ ARG A 55 -17.990 -4.051 6.513 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.795 -4.894 7.112 1.00 0.00 N ATOM 975 NH2 ARG A 55 -18.446 -2.855 6.230 1.00 0.00 N ATOM 0 H ARG A 55 -12.717 -6.302 2.959 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.465 -7.869 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.160 -5.057 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.827 -5.561 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.065 -6.468 6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.132 -4.723 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.636 -6.472 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.912 -5.773 7.534 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.205 -3.647 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.467 -5.830 7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -19.749 -4.614 7.339 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.842 -2.175 5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.405 -2.605 6.470 1.00 0.00 H new ATOM 989 N LEU A 56 -15.329 -7.337 1.481 1.00 0.00 N ATOM 990 CA LEU A 56 -16.100 -7.884 0.362 1.00 0.00 C ATOM 991 C LEU A 56 -15.950 -9.418 0.230 1.00 0.00 C ATOM 992 O LEU A 56 -16.942 -10.117 0.026 1.00 0.00 O ATOM 993 CB LEU A 56 -15.676 -7.154 -0.933 1.00 0.00 C ATOM 994 CG LEU A 56 -16.713 -6.252 -1.621 1.00 0.00 C ATOM 995 CD1 LEU A 56 -18.072 -6.924 -1.815 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.887 -4.929 -0.871 1.00 0.00 C ATOM 0 H LEU A 56 -14.686 -6.598 1.196 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.160 -7.712 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.802 -6.544 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.358 -7.908 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.311 -6.053 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.754 -6.230 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.953 -7.814 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.479 -7.208 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.627 -4.315 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.223 -5.129 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.934 -4.400 -0.841 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.737 -9.971 0.406 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.495 -11.427 0.454 1.00 0.00 C ATOM 1010 C ILE A 57 -15.375 -12.106 1.508 1.00 0.00 C ATOM 1011 O ILE A 57 -15.918 -13.172 1.234 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.992 -11.772 0.655 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.254 -11.868 -0.695 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.747 -13.123 1.363 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.919 -10.518 -1.304 1.00 0.00 C ATOM 0 H ILE A 57 -13.889 -9.416 0.520 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.778 -11.825 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.618 -10.959 1.277 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.332 -12.433 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.870 -12.431 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.675 -13.291 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.208 -13.105 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.185 -13.928 0.773 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.401 -10.665 -2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.838 -9.958 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.277 -9.961 -0.622 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.553 -11.492 2.685 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.402 -12.041 3.744 1.00 0.00 C ATOM 1029 C GLN A 58 -17.891 -12.122 3.362 1.00 0.00 C ATOM 1030 O GLN A 58 -18.639 -12.803 4.058 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.198 -11.250 5.056 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.306 -11.983 6.064 1.00 0.00 C ATOM 1033 CD GLN A 58 -15.946 -13.258 6.604 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -16.849 -13.220 7.422 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.475 -14.424 6.199 1.00 0.00 N ATOM 0 H GLN A 58 -15.113 -10.604 2.927 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.086 -13.073 3.896 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.755 -10.281 4.825 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.169 -11.056 5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.357 -12.232 5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.081 -11.315 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.719 -14.459 5.515 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.867 -15.289 6.571 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.324 -11.484 2.265 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.702 -11.578 1.774 1.00 0.00 C ATOM 1046 C GLU A 59 -19.916 -12.720 0.765 1.00 0.00 C ATOM 1047 O GLU A 59 -21.040 -13.198 0.643 1.00 0.00 O ATOM 1048 CB GLU A 59 -20.143 -10.240 1.149 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.859 -9.037 2.066 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.559 -7.745 1.630 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.750 -7.551 0.409 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.864 -6.940 2.540 1.00 0.00 O ATOM 0 H GLU A 59 -17.725 -10.888 1.694 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.318 -11.806 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.626 -10.099 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.210 -10.280 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -20.172 -9.284 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.783 -8.863 2.098 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.869 -13.163 0.046 1.00 0.00 N ATOM 1060 CA GLU A 60 -19.006 -14.160 -1.037 1.00 0.00 C ATOM 1061 C GLU A 60 -17.685 -14.815 -1.484 1.00 0.00 C ATOM 1062 O GLU A 60 -17.667 -15.982 -1.859 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.668 -13.486 -2.262 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.935 -14.213 -2.732 1.00 0.00 C ATOM 1065 CD GLU A 60 -20.625 -15.532 -3.443 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -19.892 -15.466 -4.457 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.135 -16.576 -2.977 1.00 0.00 O ATOM 0 H GLU A 60 -17.911 -12.845 0.195 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.618 -14.963 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.919 -12.455 -2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.951 -13.450 -3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.577 -14.409 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.494 -13.563 -3.406 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.568 -14.077 -1.481 1.00 0.00 N ATOM 1075 CA GLY A 61 -15.251 -14.582 -1.887 1.00 0.00 C ATOM 1076 C GLY A 61 -14.913 -14.338 -3.363 1.00 0.00 C ATOM 1077 O GLY A 61 -13.750 -14.090 -3.672 1.00 0.00 O ATOM 0 H GLY A 61 -16.554 -13.099 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.487 -14.111 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.207 -15.653 -1.688 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.911 -14.296 -4.258 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.800 -13.860 -5.666 1.00 0.00 C ATOM 1083 C LEU A 62 -15.009 -12.546 -5.812 1.00 0.00 C ATOM 1084 O LEU A 62 -14.168 -12.405 -6.705 1.00 0.00 O ATOM 1085 CB LEU A 62 -17.237 -13.772 -6.228 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.502 -12.865 -7.450 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.708 -13.248 -8.705 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.994 -12.946 -7.785 1.00 0.00 C ATOM 0 H LEU A 62 -16.861 -14.576 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.224 -14.581 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.551 -14.782 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.888 -13.437 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.180 -11.861 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.954 -12.561 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.641 -13.191 -8.492 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.965 -14.265 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.208 -12.313 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.259 -13.977 -8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.578 -12.605 -6.930 1.00 0.00 H new ATOM 1100 N SER A 63 -15.207 -11.621 -4.869 1.00 0.00 N ATOM 1101 CA SER A 63 -14.457 -10.371 -4.759 1.00 0.00 C ATOM 1102 C SER A 63 -12.932 -10.521 -4.652 1.00 0.00 C ATOM 1103 O SER A 63 -12.249 -9.519 -4.845 1.00 0.00 O ATOM 1104 CB SER A 63 -14.982 -9.548 -3.590 1.00 0.00 C ATOM 1105 OG SER A 63 -16.158 -8.874 -3.985 1.00 0.00 O ATOM 0 H SER A 63 -15.914 -11.726 -4.141 1.00 0.00 H new ATOM 0 HA SER A 63 -14.625 -9.858 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.189 -10.196 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.228 -8.830 -3.268 1.00 0.00 H new ATOM 0 HG SER A 63 -16.087 -7.926 -3.748 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.377 -11.727 -4.441 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.961 -12.004 -4.725 1.00 0.00 C ATOM 1113 C VAL A 64 -10.626 -11.579 -6.151 1.00 0.00 C ATOM 1114 O VAL A 64 -9.751 -10.744 -6.334 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.595 -13.487 -4.477 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.303 -13.898 -5.202 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.433 -13.764 -2.977 1.00 0.00 C ATOM 0 H VAL A 64 -12.891 -12.527 -4.073 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.357 -11.418 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.418 -14.079 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.089 -14.947 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.427 -13.756 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.476 -13.283 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.176 -14.812 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.640 -13.134 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.368 -13.542 -2.463 1.00 0.00 H new ATOM 1127 N SER A 65 -11.306 -12.133 -7.157 1.00 0.00 N ATOM 1128 CA SER A 65 -11.056 -11.746 -8.545 1.00 0.00 C ATOM 1129 C SER A 65 -11.794 -10.454 -8.890 1.00 0.00 C ATOM 1130 O SER A 65 -11.230 -9.593 -9.561 1.00 0.00 O ATOM 1131 CB SER A 65 -11.450 -12.878 -9.501 1.00 0.00 C ATOM 1132 OG SER A 65 -10.438 -13.027 -10.484 1.00 0.00 O ATOM 0 H SER A 65 -12.027 -12.844 -7.038 1.00 0.00 H new ATOM 0 HA SER A 65 -9.988 -11.562 -8.662 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.578 -13.809 -8.949 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.405 -12.654 -9.975 1.00 0.00 H new ATOM 0 HG SER A 65 -9.619 -13.361 -10.062 1.00 0.00 H new ATOM 1138 N GLU A 66 -13.042 -10.315 -8.422 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.888 -9.174 -8.762 1.00 0.00 C ATOM 1140 C GLU A 66 -13.372 -7.856 -8.188 1.00 0.00 C ATOM 1141 O GLU A 66 -13.106 -6.947 -8.962 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.353 -9.418 -8.363 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.227 -9.484 -9.622 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.720 -9.451 -9.290 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -18.086 -8.580 -8.468 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.461 -10.255 -9.892 1.00 0.00 O ATOM 0 H GLU A 66 -13.487 -10.990 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.844 -9.078 -9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.437 -10.348 -7.801 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.700 -8.618 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.983 -8.647 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.999 -10.396 -10.173 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.212 -7.707 -6.867 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.859 -6.405 -6.304 1.00 0.00 C ATOM 1155 C ALA A 67 -11.419 -5.982 -6.662 1.00 0.00 C ATOM 1156 O ALA A 67 -11.145 -4.786 -6.748 1.00 0.00 O ATOM 1157 CB ALA A 67 -13.154 -6.379 -4.805 1.00 0.00 C ATOM 0 H ALA A 67 -13.319 -8.456 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.491 -5.646 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.886 -5.404 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.216 -6.562 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.570 -7.153 -4.306 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.530 -6.944 -6.967 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.248 -6.686 -7.640 1.00 0.00 C ATOM 1165 C ILE A 68 -9.484 -6.153 -9.060 1.00 0.00 C ATOM 1166 O ILE A 68 -8.982 -5.078 -9.385 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.321 -7.929 -7.624 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.898 -8.198 -6.162 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -7.072 -7.708 -8.505 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.965 -9.400 -5.959 1.00 0.00 C ATOM 0 H ILE A 68 -10.684 -7.929 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.723 -5.913 -7.079 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.860 -8.785 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.405 -7.307 -5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.796 -8.351 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.442 -8.597 -8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.381 -7.519 -9.533 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.510 -6.852 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.728 -9.502 -4.900 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.458 -10.307 -6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.045 -9.246 -6.523 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.234 -6.870 -9.911 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.546 -6.410 -11.266 1.00 0.00 C ATOM 1184 C ALA A 69 -11.210 -5.024 -11.273 1.00 0.00 C ATOM 1185 O ALA A 69 -10.766 -4.160 -12.026 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.399 -7.456 -11.989 1.00 0.00 C ATOM 0 H ALA A 69 -10.637 -7.778 -9.678 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.608 -6.295 -11.808 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.627 -7.107 -12.996 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.850 -8.396 -12.047 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.328 -7.611 -11.440 1.00 0.00 H new ATOM 1192 N GLN A 70 -12.197 -4.790 -10.395 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.785 -3.481 -10.114 1.00 0.00 C ATOM 1194 C GLN A 70 -11.697 -2.464 -9.756 1.00 0.00 C ATOM 1195 O GLN A 70 -11.468 -1.556 -10.551 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.883 -3.555 -9.038 1.00 0.00 C ATOM 1197 CG GLN A 70 -15.291 -3.866 -9.579 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.545 -5.332 -9.933 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.112 -5.829 -10.962 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.313 -6.039 -9.120 1.00 0.00 N ATOM 0 H GLN A 70 -12.620 -5.537 -9.844 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.276 -3.138 -11.025 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.610 -4.320 -8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.915 -2.605 -8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.025 -3.556 -8.835 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -15.463 -3.259 -10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.671 -5.618 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.547 -7.005 -9.351 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.974 -2.611 -8.633 1.00 0.00 N ATOM 1210 CA VAL A 71 -10.021 -1.572 -8.207 1.00 0.00 C ATOM 1211 C VAL A 71 -8.885 -1.329 -9.216 1.00 0.00 C ATOM 1212 O VAL A 71 -8.357 -0.221 -9.261 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.497 -1.819 -6.775 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -8.279 -2.752 -6.703 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -9.146 -0.486 -6.098 1.00 0.00 C ATOM 0 H VAL A 71 -11.028 -3.421 -8.015 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.587 -0.641 -8.183 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.311 -2.320 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.974 -2.873 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.541 -3.725 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.457 -2.322 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.778 -0.676 -5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.375 0.023 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.036 0.142 -6.047 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.526 -2.318 -10.055 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.579 -2.118 -11.165 1.00 0.00 C ATOM 1227 C LYS A 72 -8.193 -1.522 -12.443 1.00 0.00 C ATOM 1228 O LYS A 72 -7.446 -0.941 -13.227 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.847 -3.420 -11.522 1.00 0.00 C ATOM 1230 CG LYS A 72 -5.945 -3.970 -10.402 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.678 -4.682 -10.909 1.00 0.00 C ATOM 1232 CE LYS A 72 -4.929 -5.726 -12.010 1.00 0.00 C ATOM 1233 NZ LYS A 72 -4.714 -5.166 -13.369 1.00 0.00 N ATOM 0 H LYS A 72 -8.882 -3.271 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.877 -1.378 -10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.586 -4.178 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.239 -3.249 -12.410 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.651 -3.147 -9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.522 -4.667 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.983 -3.933 -11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.190 -5.172 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.265 -6.578 -11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.950 -6.099 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.620 -4.829 -13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.044 -4.373 -13.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.328 -5.904 -13.992 1.00 0.00 H new ATOM 1247 N THR A 73 -9.500 -1.681 -12.692 1.00 0.00 N ATOM 1248 CA THR A 73 -10.176 -1.062 -13.849 1.00 0.00 C ATOM 1249 C THR A 73 -10.823 0.287 -13.522 1.00 0.00 C ATOM 1250 O THR A 73 -11.123 1.047 -14.443 1.00 0.00 O ATOM 1251 CB THR A 73 -11.192 -2.006 -14.510 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.416 -1.532 -15.818 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.562 -2.085 -13.825 1.00 0.00 C ATOM 0 H THR A 73 -10.119 -2.238 -12.103 1.00 0.00 H new ATOM 0 HA THR A 73 -9.381 -0.868 -14.569 1.00 0.00 H new ATOM 0 HB THR A 73 -10.758 -3.004 -14.453 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.336 -0.555 -15.830 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.202 -2.778 -14.371 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.437 -2.437 -12.801 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.022 -1.097 -13.816 1.00 0.00 H new ATOM 1261 N GLU A 74 -11.037 0.584 -12.239 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.334 1.916 -11.719 1.00 0.00 C ATOM 1263 C GLU A 74 -10.096 2.834 -11.825 1.00 0.00 C ATOM 1264 O GLU A 74 -8.959 2.355 -11.806 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.785 1.800 -10.249 1.00 0.00 C ATOM 1266 CG GLU A 74 -13.216 1.263 -10.124 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.602 1.067 -8.653 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.213 0.023 -8.081 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -14.290 1.964 -8.118 1.00 0.00 O ATOM 0 H GLU A 74 -11.007 -0.126 -11.507 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.134 2.358 -12.313 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.103 1.141 -9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.723 2.779 -9.773 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.911 1.957 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.300 0.315 -10.655 1.00 0.00 H new