USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 19 HIS : no HE2:sc= 0.496 K(o=1.8,f=-1.9) USER MOD Set 1.2: A 23 SER OG : rot 170:sc= 1.26 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 ASN : amide:sc= 1.24 K(o=1.2,f=-0.036) USER MOD Single : A 7 THR OG1 : rot 33:sc= 0.254 USER MOD Single : A 15 SER OG : rot 96:sc= 1.16 USER MOD Single : A 21 THR OG1 : rot 73:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= 1.22 (180deg=-0.75) USER MOD Single : A 31 SER OG : rot 180:sc= 0.117 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= 1.8 (180deg=1.34) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 13:sc= 1.14 USER MOD Single : A 64 SER OG : rot 168:sc= 1.14 USER MOD Single : A 79 TYR OH : rot 141:sc= 0.13 USER MOD Single : A 81 SER OG : rot 94:sc= 1.15 USER MOD Single : A 84 SER OG : rot 82:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.334 12.848 -14.710 1.00 10.00 N ATOM 95 CA LEU A 6 -2.557 12.293 -13.608 1.00 10.00 C ATOM 96 C LEU A 6 -1.389 13.217 -13.256 1.00 10.00 C ATOM 97 O LEU A 6 -0.482 13.436 -14.059 1.00 10.00 O ATOM 98 CB LEU A 6 -2.013 10.896 -13.961 1.00 10.00 C ATOM 99 CG LEU A 6 -3.087 9.827 -14.240 1.00 10.00 C ATOM 100 CD1 LEU A 6 -3.444 9.732 -15.730 1.00 10.00 C ATOM 101 CD2 LEU A 6 -2.574 8.454 -13.785 1.00 10.00 C ATOM 0 HA LEU A 6 -3.221 12.205 -12.748 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.373 10.984 -14.839 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.383 10.551 -13.141 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.980 10.121 -13.689 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -4.205 8.965 -15.874 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -3.828 10.692 -16.074 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.553 9.471 -16.302 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -3.334 7.698 -13.982 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -1.664 8.206 -14.332 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -2.359 8.482 -12.717 1.00 10.00 H new ATOM 113 N THR A 7 -1.427 13.743 -12.033 1.00 10.00 N ATOM 114 CA THR A 7 -0.395 14.603 -11.455 1.00 10.00 C ATOM 115 C THR A 7 -0.202 14.273 -9.968 1.00 10.00 C ATOM 116 O THR A 7 -0.702 13.263 -9.472 1.00 10.00 O ATOM 117 CB THR A 7 -0.742 16.080 -11.737 1.00 10.00 C ATOM 118 OG1 THR A 7 0.342 16.909 -11.380 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.990 16.592 -11.012 1.00 10.00 C ATOM 0 H THR A 7 -2.205 13.576 -11.394 1.00 10.00 H new ATOM 0 HA THR A 7 0.571 14.418 -11.924 1.00 10.00 H new ATOM 0 HB THR A 7 -0.952 16.121 -12.806 1.00 10.00 H new ATOM 0 HG1 THR A 7 1.184 16.433 -11.538 1.00 10.00 H new ATOM 0 HG21 THR A 7 -2.157 17.638 -11.269 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.855 16.001 -11.315 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.848 16.501 -9.935 1.00 10.00 H new ATOM 127 N GLU A 8 0.546 15.113 -9.250 1.00 10.00 N ATOM 128 CA GLU A 8 0.899 14.945 -7.837 1.00 10.00 C ATOM 129 C GLU A 8 -0.309 14.608 -6.948 1.00 10.00 C ATOM 130 O GLU A 8 -0.177 13.782 -6.053 1.00 10.00 O ATOM 131 CB GLU A 8 1.598 16.217 -7.330 1.00 10.00 C ATOM 132 CG GLU A 8 2.924 16.495 -8.054 1.00 10.00 C ATOM 133 CD GLU A 8 3.519 17.834 -7.611 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.062 18.867 -8.150 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.417 17.811 -6.740 1.00 10.00 O ATOM 0 H GLU A 8 0.939 15.964 -9.653 1.00 10.00 H new ATOM 0 HA GLU A 8 1.574 14.092 -7.771 1.00 10.00 H new ATOM 0 HB2 GLU A 8 0.932 17.069 -7.461 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.786 16.121 -6.261 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.631 15.692 -7.847 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.759 16.504 -9.131 1.00 10.00 H new ATOM 142 N GLY A 9 -1.491 15.177 -7.227 1.00 10.00 N ATOM 143 CA GLY A 9 -2.724 14.884 -6.493 1.00 10.00 C ATOM 144 C GLY A 9 -3.226 13.448 -6.682 1.00 10.00 C ATOM 145 O GLY A 9 -3.503 12.772 -5.695 1.00 10.00 O ATOM 0 H GLY A 9 -1.616 15.859 -7.975 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.556 15.064 -5.431 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.502 15.577 -6.815 1.00 10.00 H new ATOM 149 N ASP A 10 -3.314 12.956 -7.924 1.00 10.00 N ATOM 150 CA ASP A 10 -3.721 11.576 -8.222 1.00 10.00 C ATOM 151 C ASP A 10 -2.684 10.575 -7.700 1.00 10.00 C ATOM 152 O ASP A 10 -3.033 9.556 -7.109 1.00 10.00 O ATOM 153 CB ASP A 10 -3.885 11.371 -9.741 1.00 10.00 C ATOM 154 CG ASP A 10 -4.539 12.553 -10.454 1.00 10.00 C ATOM 155 OD1 ASP A 10 -3.816 13.569 -10.597 1.00 10.00 O ATOM 156 OD2 ASP A 10 -5.708 12.417 -10.877 1.00 10.00 O ATOM 0 H ASP A 10 -3.104 13.507 -8.756 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.675 11.403 -7.724 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -2.905 11.189 -10.182 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.483 10.477 -9.915 1.00 10.00 H new ATOM 161 N LEU A 11 -1.398 10.884 -7.900 1.00 10.00 N ATOM 162 CA LEU A 11 -0.289 10.074 -7.406 1.00 10.00 C ATOM 163 C LEU A 11 -0.221 10.038 -5.871 1.00 10.00 C ATOM 164 O LEU A 11 0.038 8.965 -5.319 1.00 10.00 O ATOM 165 CB LEU A 11 1.021 10.527 -8.076 1.00 10.00 C ATOM 166 CG LEU A 11 1.244 9.967 -9.502 1.00 10.00 C ATOM 167 CD1 LEU A 11 0.104 10.116 -10.518 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.504 10.589 -10.109 1.00 10.00 C ATOM 0 H LEU A 11 -1.099 11.712 -8.415 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.459 9.035 -7.689 1.00 10.00 H new ATOM 0 HB2 LEU A 11 1.032 11.616 -8.122 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.858 10.226 -7.447 1.00 10.00 H new ATOM 0 HG LEU A 11 1.323 8.893 -9.331 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.405 9.678 -11.470 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -0.783 9.603 -10.147 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.121 11.173 -10.660 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.658 10.193 -11.113 1.00 10.00 H new ATOM 0 HD22 LEU A 11 2.387 11.671 -10.160 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.366 10.346 -9.487 1.00 10.00 H new ATOM 180 N ASP A 12 -0.509 11.146 -5.175 1.00 10.00 N ATOM 181 CA ASP A 12 -0.691 11.154 -3.721 1.00 10.00 C ATOM 182 C ASP A 12 -1.943 10.369 -3.303 1.00 10.00 C ATOM 183 O ASP A 12 -1.843 9.541 -2.403 1.00 10.00 O ATOM 184 CB ASP A 12 -0.757 12.592 -3.188 1.00 10.00 C ATOM 185 CG ASP A 12 -0.911 12.614 -1.664 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.084 12.277 -0.986 1.00 10.00 O ATOM 187 OD2 ASP A 12 -2.021 12.956 -1.197 1.00 10.00 O ATOM 0 H ASP A 12 -0.622 12.063 -5.607 1.00 10.00 H new ATOM 0 HA ASP A 12 0.175 10.659 -3.281 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.148 13.129 -3.472 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.596 13.115 -3.648 1.00 10.00 H new ATOM 192 N GLU A 13 -3.095 10.558 -3.964 1.00 10.00 N ATOM 193 CA GLU A 13 -4.326 9.826 -3.637 1.00 10.00 C ATOM 194 C GLU A 13 -4.133 8.314 -3.784 1.00 10.00 C ATOM 195 O GLU A 13 -4.448 7.578 -2.851 1.00 10.00 O ATOM 196 CB GLU A 13 -5.480 10.346 -4.514 1.00 10.00 C ATOM 197 CG GLU A 13 -6.845 9.681 -4.256 1.00 10.00 C ATOM 198 CD GLU A 13 -7.052 8.343 -4.989 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.817 8.309 -6.217 1.00 10.00 O ATOM 200 OE2 GLU A 13 -7.487 7.376 -4.326 1.00 10.00 O ATOM 0 H GLU A 13 -3.199 11.218 -4.735 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.579 10.004 -2.592 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.580 11.420 -4.356 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.214 10.201 -5.561 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.957 9.515 -3.185 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -7.634 10.371 -4.556 1.00 10.00 H new ATOM 207 N ILE A 14 -3.488 7.861 -4.867 1.00 10.00 N ATOM 208 CA ILE A 14 -3.150 6.449 -5.074 1.00 10.00 C ATOM 209 C ILE A 14 -2.141 5.978 -4.017 1.00 10.00 C ATOM 210 O ILE A 14 -2.334 4.928 -3.404 1.00 10.00 O ATOM 211 CB ILE A 14 -2.622 6.247 -6.514 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.794 6.392 -7.512 1.00 10.00 C ATOM 213 CG2 ILE A 14 -1.952 4.868 -6.699 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.376 6.538 -8.982 1.00 10.00 C ATOM 0 H ILE A 14 -3.185 8.469 -5.628 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.044 5.837 -4.956 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.865 7.008 -6.702 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.442 5.520 -7.418 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.387 7.262 -7.230 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.597 4.771 -7.725 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.110 4.778 -6.013 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.676 4.081 -6.490 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.265 6.633 -9.605 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.755 7.426 -9.097 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -2.811 5.658 -9.289 1.00 10.00 H new ATOM 226 N SER A 15 -1.080 6.749 -3.760 1.00 10.00 N ATOM 227 CA SER A 15 -0.042 6.365 -2.793 1.00 10.00 C ATOM 228 C SER A 15 -0.605 6.290 -1.367 1.00 10.00 C ATOM 229 O SER A 15 -0.288 5.362 -0.621 1.00 10.00 O ATOM 230 CB SER A 15 1.155 7.320 -2.873 1.00 10.00 C ATOM 231 OG SER A 15 1.645 7.380 -4.193 1.00 10.00 O ATOM 0 H SER A 15 -0.915 7.649 -4.211 1.00 10.00 H new ATOM 0 HA SER A 15 0.308 5.366 -3.055 1.00 10.00 H new ATOM 0 HB2 SER A 15 0.858 8.315 -2.543 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.943 6.983 -2.200 1.00 10.00 H new ATOM 0 HG SER A 15 1.255 8.153 -4.652 1.00 10.00 H new ATOM 237 N SER A 16 -1.504 7.216 -1.014 1.00 10.00 N ATOM 238 CA SER A 16 -2.264 7.227 0.235 1.00 10.00 C ATOM 239 C SER A 16 -3.266 6.070 0.308 1.00 10.00 C ATOM 240 O SER A 16 -3.327 5.400 1.339 1.00 10.00 O ATOM 241 CB SER A 16 -2.977 8.573 0.376 1.00 10.00 C ATOM 242 OG SER A 16 -3.611 8.658 1.636 1.00 10.00 O ATOM 0 H SER A 16 -1.729 8.008 -1.616 1.00 10.00 H new ATOM 0 HA SER A 16 -1.568 7.091 1.063 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.260 9.386 0.266 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.714 8.688 -0.419 1.00 10.00 H new ATOM 0 HG SER A 16 -4.063 9.524 1.717 1.00 10.00 H new ATOM 248 N PHE A 17 -4.002 5.774 -0.773 1.00 10.00 N ATOM 249 CA PHE A 17 -4.881 4.601 -0.867 1.00 10.00 C ATOM 250 C PHE A 17 -4.108 3.299 -0.619 1.00 10.00 C ATOM 251 O PHE A 17 -4.566 2.439 0.141 1.00 10.00 O ATOM 252 CB PHE A 17 -5.564 4.606 -2.248 1.00 10.00 C ATOM 253 CG PHE A 17 -6.120 3.273 -2.720 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.270 2.730 -2.118 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.485 2.575 -3.769 1.00 10.00 C ATOM 256 CE1 PHE A 17 -7.787 1.502 -2.567 1.00 10.00 C ATOM 257 CE2 PHE A 17 -5.998 1.343 -4.211 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.157 0.813 -3.618 1.00 10.00 C ATOM 0 H PHE A 17 -4.003 6.349 -1.615 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.644 4.655 -0.090 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.379 5.330 -2.226 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.844 4.959 -2.986 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.756 3.257 -1.310 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.602 2.988 -4.234 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -8.670 1.087 -2.104 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.502 0.804 -5.005 1.00 10.00 H new ATOM 0 HZ PHE A 17 -7.564 -0.124 -3.970 1.00 10.00 H new ATOM 268 N LEU A 18 -2.904 3.178 -1.187 1.00 10.00 N ATOM 269 CA LEU A 18 -2.034 2.023 -0.982 1.00 10.00 C ATOM 270 C LEU A 18 -1.482 1.969 0.447 1.00 10.00 C ATOM 271 O LEU A 18 -1.612 0.926 1.085 1.00 10.00 O ATOM 272 CB LEU A 18 -0.923 2.028 -2.047 1.00 10.00 C ATOM 273 CG LEU A 18 -1.463 1.818 -3.476 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.366 2.118 -4.498 1.00 10.00 C ATOM 275 CD2 LEU A 18 -2.002 0.408 -3.708 1.00 10.00 C ATOM 0 H LEU A 18 -2.506 3.885 -1.805 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.619 1.111 -1.102 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.387 2.976 -2.002 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.202 1.243 -1.817 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.298 2.508 -3.600 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.756 1.967 -5.505 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -0.038 3.151 -4.387 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.479 1.449 -4.332 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.368 0.322 -4.731 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -1.205 -0.318 -3.545 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.819 0.212 -3.013 1.00 10.00 H new ATOM 287 N HIS A 19 -0.961 3.075 1.000 1.00 10.00 N ATOM 288 CA HIS A 19 -0.531 3.115 2.401 1.00 10.00 C ATOM 289 C HIS A 19 -1.670 2.728 3.357 1.00 10.00 C ATOM 290 O HIS A 19 -1.484 1.843 4.192 1.00 10.00 O ATOM 291 CB HIS A 19 0.025 4.510 2.748 1.00 10.00 C ATOM 292 CG HIS A 19 0.044 4.793 4.235 1.00 10.00 C ATOM 293 ND1 HIS A 19 -0.575 5.850 4.864 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.477 3.945 5.221 1.00 10.00 C ATOM 295 CE1 HIS A 19 -0.525 5.633 6.190 1.00 10.00 C ATOM 296 NE2 HIS A 19 0.087 4.470 6.459 1.00 10.00 N ATOM 0 H HIS A 19 -0.828 3.952 0.496 1.00 10.00 H new ATOM 0 HA HIS A 19 0.262 2.378 2.529 1.00 10.00 H new ATOM 0 HB2 HIS A 19 1.038 4.598 2.355 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.578 5.268 2.248 1.00 10.00 H new ATOM 0 HD1 HIS A 19 -0.998 6.657 4.404 1.00 10.00 H new ATOM 0 HD2 HIS A 19 1.026 3.027 5.069 1.00 10.00 H new ATOM 0 HE1 HIS A 19 -0.923 6.304 6.937 1.00 10.00 H new ATOM 304 N ASN A 20 -2.853 3.337 3.208 1.00 10.00 N ATOM 305 CA ASN A 20 -4.004 3.023 4.051 1.00 10.00 C ATOM 306 C ASN A 20 -4.450 1.566 3.870 1.00 10.00 C ATOM 307 O ASN A 20 -4.803 0.927 4.854 1.00 10.00 O ATOM 308 CB ASN A 20 -5.148 4.016 3.794 1.00 10.00 C ATOM 309 CG ASN A 20 -4.886 5.372 4.439 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.175 5.595 5.602 1.00 10.00 O ATOM 311 ND2 ASN A 20 -4.331 6.319 3.713 1.00 10.00 N ATOM 0 H ASN A 20 -3.034 4.054 2.506 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.705 3.130 5.094 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.281 4.146 2.720 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.079 3.604 4.183 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -4.145 7.234 4.124 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -4.087 6.138 2.739 1.00 10.00 H new ATOM 318 N THR A 21 -4.348 1.002 2.659 1.00 10.00 N ATOM 319 CA THR A 21 -4.644 -0.418 2.413 1.00 10.00 C ATOM 320 C THR A 21 -3.715 -1.331 3.223 1.00 10.00 C ATOM 321 O THR A 21 -4.198 -2.254 3.878 1.00 10.00 O ATOM 322 CB THR A 21 -4.552 -0.749 0.913 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.471 0.034 0.184 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.886 -2.211 0.614 1.00 10.00 C ATOM 0 H THR A 21 -4.059 1.513 1.825 1.00 10.00 H new ATOM 0 HA THR A 21 -5.667 -0.601 2.743 1.00 10.00 H new ATOM 0 HB THR A 21 -3.522 -0.543 0.622 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.156 0.961 0.150 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.806 -2.391 -0.458 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.188 -2.859 1.144 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.903 -2.427 0.943 1.00 10.00 H new ATOM 332 N ILE A 22 -2.401 -1.060 3.235 1.00 10.00 N ATOM 333 CA ILE A 22 -1.443 -1.825 4.052 1.00 10.00 C ATOM 334 C ILE A 22 -1.707 -1.604 5.544 1.00 10.00 C ATOM 335 O ILE A 22 -1.784 -2.576 6.294 1.00 10.00 O ATOM 336 CB ILE A 22 0.015 -1.447 3.712 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.304 -1.674 2.225 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.053 -2.243 4.528 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.746 -1.362 1.855 1.00 10.00 C ATOM 0 H ILE A 22 -1.975 -0.313 2.686 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.584 -2.881 3.820 1.00 10.00 H new ATOM 0 HB ILE A 22 0.110 -0.392 3.969 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.084 -2.711 1.970 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.363 -1.050 1.630 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.057 -1.931 4.242 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.903 -2.054 5.591 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.934 -3.308 4.329 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.895 -1.540 0.790 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.962 -0.318 2.082 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.416 -2.004 2.427 1.00 10.00 H new ATOM 351 N SER A 23 -1.861 -0.347 5.979 1.00 10.00 N ATOM 352 CA SER A 23 -2.084 -0.007 7.387 1.00 10.00 C ATOM 353 C SER A 23 -3.371 -0.641 7.930 1.00 10.00 C ATOM 354 O SER A 23 -3.324 -1.278 8.982 1.00 10.00 O ATOM 355 CB SER A 23 -2.046 1.516 7.569 1.00 10.00 C ATOM 356 OG SER A 23 -0.703 1.934 7.396 1.00 10.00 O ATOM 0 H SER A 23 -1.834 0.464 5.361 1.00 10.00 H new ATOM 0 HA SER A 23 -1.276 -0.431 7.983 1.00 10.00 H new ATOM 0 HB2 SER A 23 -2.696 2.005 6.843 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.409 1.793 8.559 1.00 10.00 H new ATOM 0 HG SER A 23 -0.669 2.912 7.341 1.00 10.00 H new ATOM 362 N ASP A 24 -4.489 -0.578 7.194 1.00 10.00 N ATOM 363 CA ASP A 24 -5.692 -1.348 7.517 1.00 10.00 C ATOM 364 C ASP A 24 -5.493 -2.863 7.475 1.00 10.00 C ATOM 365 O ASP A 24 -6.034 -3.536 8.351 1.00 10.00 O ATOM 366 CB ASP A 24 -6.871 -0.983 6.601 1.00 10.00 C ATOM 367 CG ASP A 24 -7.613 0.294 7.002 1.00 10.00 C ATOM 368 OD1 ASP A 24 -6.967 1.334 7.240 1.00 10.00 O ATOM 369 OD2 ASP A 24 -8.858 0.166 7.121 1.00 10.00 O ATOM 0 H ASP A 24 -4.582 0.006 6.363 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.917 -1.070 8.547 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.501 -0.869 5.582 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.579 -1.812 6.592 1.00 10.00 H new ATOM 374 N PHE A 25 -4.726 -3.420 6.525 1.00 10.00 N ATOM 375 CA PHE A 25 -4.464 -4.862 6.529 1.00 10.00 C ATOM 376 C PHE A 25 -3.698 -5.259 7.796 1.00 10.00 C ATOM 377 O PHE A 25 -4.112 -6.185 8.493 1.00 10.00 O ATOM 378 CB PHE A 25 -3.704 -5.284 5.260 1.00 10.00 C ATOM 379 CG PHE A 25 -3.614 -6.790 5.076 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.706 -7.556 5.836 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.457 -7.436 4.150 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.672 -8.955 5.701 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.427 -8.836 4.019 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.545 -9.596 4.807 1.00 10.00 C ATOM 0 H PHE A 25 -4.287 -2.905 5.762 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.418 -5.389 6.530 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.197 -4.849 4.390 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.696 -4.870 5.296 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.034 -7.066 6.525 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.129 -6.853 3.538 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.974 -9.537 6.285 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.081 -9.327 3.314 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.539 -10.673 4.725 1.00 10.00 H new ATOM 394 N ILE A 26 -2.653 -4.502 8.162 1.00 10.00 N ATOM 395 CA ILE A 26 -1.865 -4.732 9.361 1.00 10.00 C ATOM 396 C ILE A 26 -2.765 -4.633 10.594 1.00 10.00 C ATOM 397 O ILE A 26 -2.841 -5.608 11.331 1.00 10.00 O ATOM 398 CB ILE A 26 -0.679 -3.746 9.378 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.356 -4.149 8.304 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.028 -3.721 10.763 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.413 -3.069 8.053 1.00 10.00 C ATOM 0 H ILE A 26 -2.334 -3.701 7.617 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.443 -5.737 9.370 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.048 -2.745 9.153 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.852 -5.069 8.613 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.163 -4.365 7.370 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.807 -3.021 10.760 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.762 -3.406 11.505 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.335 -4.718 11.012 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.110 -3.413 7.289 1.00 10.00 H new ATOM 0 HD12 ILE A 26 0.926 -2.155 7.715 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.956 -2.870 8.977 1.00 10.00 H new ATOM 413 N LEU A 27 -3.524 -3.539 10.765 1.00 10.00 N ATOM 414 CA LEU A 27 -4.435 -3.347 11.905 1.00 10.00 C ATOM 415 C LEU A 27 -5.578 -4.378 11.983 1.00 10.00 C ATOM 416 O LEU A 27 -6.220 -4.488 13.027 1.00 10.00 O ATOM 417 CB LEU A 27 -4.988 -1.906 11.889 1.00 10.00 C ATOM 418 CG LEU A 27 -4.172 -0.906 12.732 1.00 10.00 C ATOM 419 CD1 LEU A 27 -2.687 -0.816 12.364 1.00 10.00 C ATOM 420 CD2 LEU A 27 -4.789 0.489 12.601 1.00 10.00 C ATOM 0 H LEU A 27 -3.523 -2.756 10.111 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.845 -3.512 12.806 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.021 -1.553 10.858 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.015 -1.919 12.254 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.215 -1.282 13.754 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -2.196 -0.088 13.010 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -2.220 -1.792 12.496 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -2.588 -0.504 11.324 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -4.214 1.198 13.196 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -4.774 0.797 11.555 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -5.819 0.466 12.958 1.00 10.00 H new ATOM 432 N LYS A 28 -5.819 -5.148 10.912 1.00 10.00 N ATOM 433 CA LYS A 28 -6.807 -6.238 10.855 1.00 10.00 C ATOM 434 C LYS A 28 -6.140 -7.627 10.845 1.00 10.00 C ATOM 435 O LYS A 28 -6.841 -8.633 10.759 1.00 10.00 O ATOM 436 CB LYS A 28 -7.743 -6.009 9.652 1.00 10.00 C ATOM 437 CG LYS A 28 -8.563 -4.711 9.815 1.00 10.00 C ATOM 438 CD LYS A 28 -9.226 -4.246 8.510 1.00 10.00 C ATOM 439 CE LYS A 28 -9.529 -2.747 8.631 1.00 10.00 C ATOM 440 NZ LYS A 28 -10.064 -2.171 7.377 1.00 10.00 N ATOM 0 H LYS A 28 -5.316 -5.026 10.033 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.410 -6.223 11.763 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.154 -5.957 8.736 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.419 -6.858 9.548 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.333 -4.868 10.570 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -7.910 -3.920 10.185 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -8.567 -4.433 7.662 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.144 -4.806 8.330 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -10.248 -2.589 9.435 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.618 -2.217 8.910 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -9.831 -1.158 7.333 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -9.641 -2.660 6.562 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -11.097 -2.290 7.354 1.00 10.00 H new ATOM 454 N ARG A 29 -4.805 -7.684 10.984 1.00 10.00 N ATOM 455 CA ARG A 29 -3.987 -8.908 10.998 1.00 10.00 C ATOM 456 C ARG A 29 -3.098 -9.035 12.256 1.00 10.00 C ATOM 457 O ARG A 29 -2.863 -10.160 12.692 1.00 10.00 O ATOM 458 CB ARG A 29 -3.178 -8.909 9.688 1.00 10.00 C ATOM 459 CG ARG A 29 -2.387 -10.184 9.394 1.00 10.00 C ATOM 460 CD ARG A 29 -3.250 -11.387 8.998 1.00 10.00 C ATOM 461 NE ARG A 29 -2.396 -12.490 8.525 1.00 10.00 N ATOM 462 CZ ARG A 29 -1.716 -13.354 9.266 1.00 10.00 C ATOM 463 NH1 ARG A 29 -1.821 -13.447 10.568 1.00 10.00 N ATOM 464 NH2 ARG A 29 -0.834 -14.152 8.738 1.00 10.00 N ATOM 0 H ARG A 29 -4.242 -6.841 11.095 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.628 -9.788 11.053 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -3.864 -8.731 8.860 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.482 -8.070 9.712 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -1.678 -9.980 8.591 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -1.803 -10.446 10.276 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.842 -11.716 9.852 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -3.952 -11.099 8.215 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.319 -12.602 7.514 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.457 -12.830 11.074 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.267 -14.136 11.076 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -0.654 -14.121 7.734 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -0.323 -14.809 9.328 1.00 10.00 H new ATOM 478 N VAL A 30 -2.669 -7.915 12.857 1.00 10.00 N ATOM 479 CA VAL A 30 -1.985 -7.779 14.161 1.00 10.00 C ATOM 480 C VAL A 30 -2.483 -6.492 14.847 1.00 10.00 C ATOM 481 O VAL A 30 -2.723 -5.486 14.183 1.00 10.00 O ATOM 482 CB VAL A 30 -0.451 -7.694 13.970 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.307 -7.597 15.300 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.116 -8.906 13.232 1.00 10.00 C ATOM 0 H VAL A 30 -2.800 -7.006 12.412 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.209 -8.652 14.774 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.306 -6.787 13.383 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.378 -7.540 15.105 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.012 -6.703 15.836 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.095 -8.479 15.905 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.195 -8.795 13.125 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -0.101 -9.811 13.799 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.341 -8.977 12.245 1.00 10.00 H new ATOM 494 N SER A 31 -2.630 -6.482 16.176 1.00 10.00 N ATOM 495 CA SER A 31 -3.043 -5.281 16.908 1.00 10.00 C ATOM 496 C SER A 31 -1.928 -4.235 16.984 1.00 10.00 C ATOM 497 O SER A 31 -0.787 -4.537 17.323 1.00 10.00 O ATOM 498 CB SER A 31 -3.504 -5.637 18.322 1.00 10.00 C ATOM 499 OG SER A 31 -3.847 -4.462 19.040 1.00 10.00 O ATOM 0 H SER A 31 -2.468 -7.296 16.769 1.00 10.00 H new ATOM 0 HA SER A 31 -3.874 -4.849 16.351 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.364 -6.306 18.274 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.712 -6.173 18.846 1.00 10.00 H new ATOM 0 HG SER A 31 -4.142 -4.705 19.943 1.00 10.00 H new ATOM 505 N ALA A 32 -2.286 -2.969 16.761 1.00 10.00 N ATOM 506 CA ALA A 32 -1.456 -1.795 17.008 1.00 10.00 C ATOM 507 C ALA A 32 -0.848 -1.764 18.426 1.00 10.00 C ATOM 508 O ALA A 32 0.187 -1.139 18.607 1.00 10.00 O ATOM 509 CB ALA A 32 -2.281 -0.538 16.714 1.00 10.00 C ATOM 0 H ALA A 32 -3.203 -2.727 16.387 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.598 -1.838 16.337 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.672 0.348 16.895 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.604 -0.550 15.673 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.155 -0.516 17.365 1.00 10.00 H new ATOM 515 N LYS A 33 -1.453 -2.427 19.431 1.00 10.00 N ATOM 516 CA LYS A 33 -0.828 -2.629 20.755 1.00 10.00 C ATOM 517 C LYS A 33 0.451 -3.482 20.644 1.00 10.00 C ATOM 518 O LYS A 33 1.459 -3.183 21.273 1.00 10.00 O ATOM 519 CB LYS A 33 -1.870 -3.267 21.703 1.00 10.00 C ATOM 520 CG LYS A 33 -1.575 -3.240 23.222 1.00 10.00 C ATOM 521 CD LYS A 33 -0.250 -3.900 23.632 1.00 10.00 C ATOM 522 CE LYS A 33 -0.147 -4.284 25.107 1.00 10.00 C ATOM 523 NZ LYS A 33 1.185 -4.883 25.381 1.00 10.00 N ATOM 0 H LYS A 33 -2.384 -2.836 19.350 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.519 -1.668 21.166 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.824 -2.766 21.538 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.001 -4.307 21.406 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -1.568 -2.203 23.558 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -2.391 -3.739 23.745 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -0.106 -4.796 23.028 1.00 10.00 H new ATOM 0 HD3 LYS A 33 0.567 -3.219 23.392 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -0.295 -3.404 25.732 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -0.934 -4.993 25.363 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 1.249 -5.142 26.386 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 1.310 -5.733 24.796 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 1.929 -4.193 25.153 1.00 10.00 H new ATOM 537 N GLU A 34 0.413 -4.554 19.851 1.00 10.00 N ATOM 538 CA GLU A 34 1.508 -5.524 19.681 1.00 10.00 C ATOM 539 C GLU A 34 2.673 -4.949 18.851 1.00 10.00 C ATOM 540 O GLU A 34 3.763 -5.532 18.818 1.00 10.00 O ATOM 541 CB GLU A 34 0.950 -6.789 18.999 1.00 10.00 C ATOM 542 CG GLU A 34 -0.217 -7.434 19.764 1.00 10.00 C ATOM 543 CD GLU A 34 -0.863 -8.567 18.957 1.00 10.00 C ATOM 544 OE1 GLU A 34 -1.638 -8.245 18.024 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.596 -9.740 19.293 1.00 10.00 O ATOM 0 H GLU A 34 -0.406 -4.783 19.288 1.00 10.00 H new ATOM 0 HA GLU A 34 1.906 -5.764 20.667 1.00 10.00 H new ATOM 0 HB2 GLU A 34 0.617 -6.533 17.993 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.752 -7.519 18.893 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.143 -7.824 20.716 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.966 -6.676 19.992 1.00 10.00 H new ATOM 552 N ILE A 35 2.424 -3.807 18.200 1.00 10.00 N ATOM 553 CA ILE A 35 3.293 -3.092 17.269 1.00 10.00 C ATOM 554 C ILE A 35 3.862 -1.843 17.963 1.00 10.00 C ATOM 555 O ILE A 35 3.121 -1.038 18.518 1.00 10.00 O ATOM 556 CB ILE A 35 2.445 -2.757 16.016 1.00 10.00 C ATOM 557 CG1 ILE A 35 2.110 -4.052 15.236 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.108 -1.741 15.076 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.091 -3.865 14.107 1.00 10.00 C ATOM 0 H ILE A 35 1.535 -3.322 18.324 1.00 10.00 H new ATOM 0 HA ILE A 35 4.150 -3.690 16.958 1.00 10.00 H new ATOM 0 HB ILE A 35 1.532 -2.290 16.384 1.00 10.00 H new ATOM 0 HG12 ILE A 35 3.030 -4.456 14.815 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.726 -4.794 15.936 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.456 -1.556 14.222 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.278 -0.807 15.612 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.061 -2.137 14.726 1.00 10.00 H new ATOM 0 HD11 ILE A 35 0.915 -4.821 13.614 1.00 10.00 H new ATOM 0 HD12 ILE A 35 0.154 -3.492 14.521 1.00 10.00 H new ATOM 0 HD13 ILE A 35 1.478 -3.149 13.382 1.00 10.00 H new ATOM 571 N VAL A 36 5.187 -1.671 17.929 1.00 10.00 N ATOM 572 CA VAL A 36 5.856 -0.428 18.342 1.00 10.00 C ATOM 573 C VAL A 36 5.626 0.652 17.285 1.00 10.00 C ATOM 574 O VAL A 36 5.189 1.746 17.633 1.00 10.00 O ATOM 575 CB VAL A 36 7.363 -0.677 18.573 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.203 0.606 18.612 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.555 -1.419 19.899 1.00 10.00 C ATOM 0 H VAL A 36 5.833 -2.394 17.612 1.00 10.00 H new ATOM 0 HA VAL A 36 5.432 -0.084 19.285 1.00 10.00 H new ATOM 0 HB VAL A 36 7.710 -1.265 17.723 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.250 0.351 18.778 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.104 1.135 17.664 1.00 10.00 H new ATOM 0 HG13 VAL A 36 7.853 1.246 19.422 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.617 -1.597 20.066 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.155 -0.816 20.714 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.029 -2.373 19.862 1.00 10.00 H new ATOM 587 N ASP A 37 5.884 0.342 16.006 1.00 10.00 N ATOM 588 CA ASP A 37 5.550 1.220 14.879 1.00 10.00 C ATOM 589 C ASP A 37 5.538 0.475 13.527 1.00 10.00 C ATOM 590 O ASP A 37 5.919 -0.697 13.433 1.00 10.00 O ATOM 591 CB ASP A 37 6.522 2.426 14.832 1.00 10.00 C ATOM 592 CG ASP A 37 5.819 3.727 14.417 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.813 3.630 13.676 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.285 4.801 14.859 1.00 10.00 O ATOM 0 H ASP A 37 6.333 -0.530 15.725 1.00 10.00 H new ATOM 0 HA ASP A 37 4.535 1.583 15.044 1.00 10.00 H new ATOM 0 HB2 ASP A 37 6.979 2.560 15.813 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.329 2.212 14.131 1.00 10.00 H new ATOM 599 N ILE A 38 5.134 1.184 12.468 1.00 10.00 N ATOM 600 CA ILE A 38 5.190 0.731 11.074 1.00 10.00 C ATOM 601 C ILE A 38 5.767 1.825 10.177 1.00 10.00 C ATOM 602 O ILE A 38 5.458 3.005 10.326 1.00 10.00 O ATOM 603 CB ILE A 38 3.811 0.268 10.539 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.681 1.307 10.737 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.445 -1.088 11.153 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.325 0.881 10.156 1.00 10.00 C ATOM 0 H ILE A 38 4.745 2.122 12.561 1.00 10.00 H new ATOM 0 HA ILE A 38 5.848 -0.138 11.052 1.00 10.00 H new ATOM 0 HB ILE A 38 3.909 0.162 9.459 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.562 1.499 11.803 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.982 2.247 10.275 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.475 -1.409 10.774 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.202 -1.825 10.884 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.398 -0.995 12.238 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.589 1.664 10.337 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.424 0.718 9.083 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.998 -0.042 10.635 1.00 10.00 H new ATOM 618 N ASP A 39 6.553 1.406 9.186 1.00 10.00 N ATOM 619 CA ASP A 39 7.160 2.292 8.193 1.00 10.00 C ATOM 620 C ASP A 39 6.736 1.823 6.805 1.00 10.00 C ATOM 621 O ASP A 39 7.017 0.693 6.414 1.00 10.00 O ATOM 622 CB ASP A 39 8.688 2.307 8.345 1.00 10.00 C ATOM 623 CG ASP A 39 9.137 3.225 9.482 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.206 4.446 9.216 1.00 10.00 O ATOM 625 OD2 ASP A 39 9.429 2.700 10.579 1.00 10.00 O ATOM 0 H ASP A 39 6.790 0.424 9.048 1.00 10.00 H new ATOM 0 HA ASP A 39 6.818 3.316 8.343 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.044 1.294 8.533 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.143 2.636 7.411 1.00 10.00 H new ATOM 630 N ILE A 40 6.014 2.673 6.069 1.00 10.00 N ATOM 631 CA ILE A 40 5.429 2.331 4.770 1.00 10.00 C ATOM 632 C ILE A 40 5.778 3.433 3.776 1.00 10.00 C ATOM 633 O ILE A 40 5.454 4.601 3.982 1.00 10.00 O ATOM 634 CB ILE A 40 3.908 2.082 4.894 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.662 0.760 5.656 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.254 1.994 3.499 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.248 0.577 6.200 1.00 10.00 C ATOM 0 H ILE A 40 5.817 3.630 6.363 1.00 10.00 H new ATOM 0 HA ILE A 40 5.847 1.395 4.400 1.00 10.00 H new ATOM 0 HB ILE A 40 3.464 2.915 5.439 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.888 -0.072 4.990 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.364 0.702 6.488 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.184 1.818 3.609 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.415 2.929 2.962 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.701 1.172 2.939 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.178 -0.380 6.717 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.019 1.383 6.897 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.536 0.597 5.375 1.00 10.00 H new ATOM 649 N THR A 41 6.450 3.039 2.694 1.00 10.00 N ATOM 650 CA THR A 41 6.823 3.908 1.579 1.00 10.00 C ATOM 651 C THR A 41 6.185 3.379 0.299 1.00 10.00 C ATOM 652 O THR A 41 6.370 2.216 -0.065 1.00 10.00 O ATOM 653 CB THR A 41 8.351 3.983 1.440 1.00 10.00 C ATOM 654 OG1 THR A 41 8.894 4.515 2.625 1.00 10.00 O ATOM 655 CG2 THR A 41 8.799 4.895 0.297 1.00 10.00 C ATOM 0 H THR A 41 6.759 2.075 2.566 1.00 10.00 H new ATOM 0 HA THR A 41 6.460 4.918 1.768 1.00 10.00 H new ATOM 0 HB THR A 41 8.697 2.969 1.238 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.869 4.564 2.545 1.00 10.00 H new ATOM 0 HG21 THR A 41 9.888 4.908 0.248 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.398 4.522 -0.645 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.431 5.906 0.473 1.00 10.00 H new ATOM 663 N VAL A 42 5.465 4.262 -0.396 1.00 10.00 N ATOM 664 CA VAL A 42 4.960 4.032 -1.748 1.00 10.00 C ATOM 665 C VAL A 42 5.649 5.041 -2.660 1.00 10.00 C ATOM 666 O VAL A 42 5.665 6.235 -2.360 1.00 10.00 O ATOM 667 CB VAL A 42 3.427 4.182 -1.819 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.932 3.946 -3.254 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.702 3.192 -0.897 1.00 10.00 C ATOM 0 H VAL A 42 5.212 5.178 -0.024 1.00 10.00 H new ATOM 0 HA VAL A 42 5.179 3.011 -2.061 1.00 10.00 H new ATOM 0 HB VAL A 42 3.201 5.197 -1.493 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.848 4.055 -3.288 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.391 4.675 -3.922 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.205 2.940 -3.572 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.625 3.337 -0.982 1.00 10.00 H new ATOM 0 HG22 VAL A 42 2.955 2.172 -1.187 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.010 3.363 0.134 1.00 10.00 H new ATOM 679 N LEU A 43 6.207 4.557 -3.768 1.00 10.00 N ATOM 680 CA LEU A 43 6.781 5.367 -4.836 1.00 10.00 C ATOM 681 C LEU A 43 5.991 5.108 -6.114 1.00 10.00 C ATOM 682 O LEU A 43 5.591 3.980 -6.400 1.00 10.00 O ATOM 683 CB LEU A 43 8.277 5.076 -5.036 1.00 10.00 C ATOM 684 CG LEU A 43 9.142 5.265 -3.779 1.00 10.00 C ATOM 685 CD1 LEU A 43 10.579 4.826 -4.069 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.163 6.717 -3.287 1.00 10.00 C ATOM 0 H LEU A 43 6.273 3.556 -3.951 1.00 10.00 H new ATOM 0 HA LEU A 43 6.710 6.420 -4.564 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.390 4.050 -5.387 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.658 5.726 -5.824 1.00 10.00 H new ATOM 0 HG LEU A 43 8.697 4.652 -2.996 1.00 10.00 H new ATOM 0 HD11 LEU A 43 11.188 4.962 -3.175 1.00 10.00 H new ATOM 0 HD12 LEU A 43 10.587 3.775 -4.358 1.00 10.00 H new ATOM 0 HD13 LEU A 43 10.987 5.428 -4.881 1.00 10.00 H new ATOM 0 HD21 LEU A 43 9.789 6.791 -2.398 1.00 10.00 H new ATOM 0 HD22 LEU A 43 9.566 7.360 -4.069 1.00 10.00 H new ATOM 0 HD23 LEU A 43 8.149 7.034 -3.044 1.00 10.00 H new ATOM 698 N VAL A 44 5.741 6.178 -6.860 1.00 10.00 N ATOM 699 CA VAL A 44 5.035 6.138 -8.137 1.00 10.00 C ATOM 700 C VAL A 44 5.736 7.088 -9.106 1.00 10.00 C ATOM 701 O VAL A 44 6.048 8.227 -8.761 1.00 10.00 O ATOM 702 CB VAL A 44 3.529 6.417 -7.943 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.214 7.702 -7.166 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.799 6.436 -9.293 1.00 10.00 C ATOM 0 H VAL A 44 6.029 7.118 -6.589 1.00 10.00 H new ATOM 0 HA VAL A 44 5.074 5.141 -8.577 1.00 10.00 H new ATOM 0 HB VAL A 44 3.166 5.593 -7.329 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.134 7.818 -7.077 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.656 7.643 -6.171 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.629 8.559 -7.697 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.740 6.634 -9.131 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.222 7.217 -9.924 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.916 5.470 -9.784 1.00 10.00 H new ATOM 714 N GLU A 45 6.018 6.592 -10.312 1.00 10.00 N ATOM 715 CA GLU A 45 6.864 7.245 -11.308 1.00 10.00 C ATOM 716 C GLU A 45 6.261 7.086 -12.709 1.00 10.00 C ATOM 717 O GLU A 45 5.536 6.128 -12.988 1.00 10.00 O ATOM 718 CB GLU A 45 8.278 6.627 -11.298 1.00 10.00 C ATOM 719 CG GLU A 45 9.034 6.754 -9.968 1.00 10.00 C ATOM 720 CD GLU A 45 10.470 6.231 -10.111 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.652 4.990 -10.062 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.378 7.072 -10.284 1.00 10.00 O ATOM 0 H GLU A 45 5.651 5.695 -10.631 1.00 10.00 H new ATOM 0 HA GLU A 45 6.926 8.304 -11.057 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.198 5.570 -11.553 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.870 7.100 -12.081 1.00 10.00 H new ATOM 0 HG2 GLU A 45 9.051 7.797 -9.651 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.513 6.193 -9.192 1.00 10.00 H new ATOM 729 N TYR A 46 6.605 8.008 -13.614 1.00 10.00 N ATOM 730 CA TYR A 46 6.189 7.949 -15.013 1.00 10.00 C ATOM 731 C TYR A 46 7.342 8.440 -15.891 1.00 10.00 C ATOM 732 O TYR A 46 7.661 9.629 -15.916 1.00 10.00 O ATOM 733 CB TYR A 46 4.900 8.759 -15.216 1.00 10.00 C ATOM 734 CG TYR A 46 4.142 8.373 -16.473 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.649 8.684 -17.751 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.929 7.668 -16.353 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.954 8.268 -18.904 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.221 7.267 -17.499 1.00 10.00 C ATOM 739 CZ TYR A 46 2.740 7.559 -18.781 1.00 10.00 C ATOM 740 OH TYR A 46 2.069 7.169 -19.897 1.00 10.00 O ATOM 0 H TYR A 46 7.183 8.819 -13.392 1.00 10.00 H new ATOM 0 HA TYR A 46 5.959 6.924 -15.303 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.251 8.620 -14.351 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.148 9.819 -15.261 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.570 9.241 -17.846 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.540 7.434 -15.373 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.351 8.492 -19.883 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.285 6.738 -17.401 1.00 10.00 H new ATOM 0 HH TYR A 46 1.253 6.691 -19.638 1.00 10.00 H new ATOM 750 N THR A 47 8.070 7.522 -16.526 1.00 10.00 N ATOM 751 CA THR A 47 9.122 7.856 -17.501 1.00 10.00 C ATOM 752 C THR A 47 8.936 7.014 -18.755 1.00 10.00 C ATOM 753 O THR A 47 9.425 5.890 -18.809 1.00 10.00 O ATOM 754 CB THR A 47 10.511 7.767 -16.858 1.00 10.00 C ATOM 755 OG1 THR A 47 10.554 8.734 -15.830 1.00 10.00 O ATOM 756 CG2 THR A 47 11.650 8.103 -17.824 1.00 10.00 C ATOM 0 H THR A 47 7.950 6.519 -16.382 1.00 10.00 H new ATOM 0 HA THR A 47 9.036 8.895 -17.820 1.00 10.00 H new ATOM 0 HB THR A 47 10.651 6.742 -16.515 1.00 10.00 H new ATOM 0 HG1 THR A 47 11.430 8.707 -15.392 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.604 8.020 -17.304 1.00 10.00 H new ATOM 0 HG22 THR A 47 11.633 7.407 -18.663 1.00 10.00 H new ATOM 0 HG23 THR A 47 11.525 9.121 -18.194 1.00 10.00 H new ATOM 764 N ASP A 48 8.150 7.525 -19.713 1.00 10.00 N ATOM 765 CA ASP A 48 7.631 6.826 -20.907 1.00 10.00 C ATOM 766 C ASP A 48 6.677 5.650 -20.589 1.00 10.00 C ATOM 767 O ASP A 48 5.725 5.408 -21.326 1.00 10.00 O ATOM 768 CB ASP A 48 8.791 6.431 -21.841 1.00 10.00 C ATOM 769 CG ASP A 48 8.342 6.268 -23.295 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.808 7.263 -23.836 1.00 10.00 O ATOM 771 OD2 ASP A 48 8.582 5.179 -23.860 1.00 10.00 O ATOM 0 H ASP A 48 7.838 8.496 -19.677 1.00 10.00 H new ATOM 0 HA ASP A 48 6.995 7.534 -21.438 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.571 7.191 -21.788 1.00 10.00 H new ATOM 0 HB3 ASP A 48 9.232 5.497 -21.493 1.00 10.00 H new ATOM 776 N GLU A 49 6.854 5.005 -19.433 1.00 10.00 N ATOM 777 CA GLU A 49 5.980 3.996 -18.841 1.00 10.00 C ATOM 778 C GLU A 49 5.674 4.354 -17.371 1.00 10.00 C ATOM 779 O GLU A 49 6.450 5.051 -16.709 1.00 10.00 O ATOM 780 CB GLU A 49 6.667 2.624 -18.991 1.00 10.00 C ATOM 781 CG GLU A 49 5.813 1.448 -18.499 1.00 10.00 C ATOM 782 CD GLU A 49 6.425 0.102 -18.904 1.00 10.00 C ATOM 783 OE1 GLU A 49 7.485 -0.246 -18.337 1.00 10.00 O ATOM 784 OE2 GLU A 49 5.821 -0.565 -19.775 1.00 10.00 O ATOM 0 H GLU A 49 7.669 5.189 -18.848 1.00 10.00 H new ATOM 0 HA GLU A 49 5.018 3.959 -19.352 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.917 2.466 -20.040 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.606 2.636 -18.438 1.00 10.00 H new ATOM 0 HG2 GLU A 49 5.718 1.494 -17.414 1.00 10.00 H new ATOM 0 HG3 GLU A 49 4.807 1.530 -18.910 1.00 10.00 H new ATOM 791 N LEU A 50 4.529 3.866 -16.871 1.00 10.00 N ATOM 792 CA LEU A 50 4.043 4.028 -15.498 1.00 10.00 C ATOM 793 C LEU A 50 4.645 2.942 -14.595 1.00 10.00 C ATOM 794 O LEU A 50 4.536 1.753 -14.895 1.00 10.00 O ATOM 795 CB LEU A 50 2.503 3.915 -15.510 1.00 10.00 C ATOM 796 CG LEU A 50 1.822 3.879 -14.123 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.007 5.173 -13.325 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.320 3.635 -14.295 1.00 10.00 C ATOM 0 H LEU A 50 3.886 3.320 -17.445 1.00 10.00 H new ATOM 0 HA LEU A 50 4.342 5.001 -15.109 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.100 4.758 -16.070 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.228 3.011 -16.053 1.00 10.00 H new ATOM 0 HG LEU A 50 2.299 3.072 -13.567 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.505 5.081 -12.362 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.070 5.353 -13.164 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.578 6.007 -13.880 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -0.159 3.610 -13.316 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -0.113 4.439 -14.890 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.162 2.683 -14.801 1.00 10.00 H new ATOM 810 N LYS A 51 5.224 3.351 -13.461 1.00 10.00 N ATOM 811 CA LYS A 51 5.882 2.470 -12.493 1.00 10.00 C ATOM 812 C LYS A 51 5.398 2.782 -11.070 1.00 10.00 C ATOM 813 O LYS A 51 5.174 3.942 -10.726 1.00 10.00 O ATOM 814 CB LYS A 51 7.397 2.656 -12.684 1.00 10.00 C ATOM 815 CG LYS A 51 8.270 1.964 -11.630 1.00 10.00 C ATOM 816 CD LYS A 51 9.755 2.140 -11.986 1.00 10.00 C ATOM 817 CE LYS A 51 10.676 1.576 -10.901 1.00 10.00 C ATOM 818 NZ LYS A 51 10.601 2.377 -9.664 1.00 10.00 N ATOM 0 H LYS A 51 5.248 4.332 -13.184 1.00 10.00 H new ATOM 0 HA LYS A 51 5.632 1.421 -12.654 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.673 2.279 -13.668 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.621 3.723 -12.677 1.00 10.00 H new ATOM 0 HG2 LYS A 51 8.070 2.386 -10.645 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.022 0.904 -11.579 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.962 1.641 -12.933 1.00 10.00 H new ATOM 0 HD3 LYS A 51 9.970 3.199 -12.130 1.00 10.00 H new ATOM 0 HE2 LYS A 51 10.399 0.544 -10.686 1.00 10.00 H new ATOM 0 HE3 LYS A 51 11.703 1.561 -11.265 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 11.114 1.888 -8.902 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 11.031 3.310 -9.828 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 9.605 2.498 -9.389 1.00 10.00 H new ATOM 832 N VAL A 52 5.233 1.735 -10.254 1.00 10.00 N ATOM 833 CA VAL A 52 4.844 1.811 -8.838 1.00 10.00 C ATOM 834 C VAL A 52 5.723 0.845 -8.041 1.00 10.00 C ATOM 835 O VAL A 52 5.977 -0.273 -8.489 1.00 10.00 O ATOM 836 CB VAL A 52 3.346 1.471 -8.635 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.929 1.479 -7.152 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.429 2.466 -9.361 1.00 10.00 C ATOM 0 H VAL A 52 5.371 0.776 -10.571 1.00 10.00 H new ATOM 0 HA VAL A 52 4.989 2.832 -8.486 1.00 10.00 H new ATOM 0 HB VAL A 52 3.232 0.468 -9.047 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.870 1.234 -7.071 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.515 0.740 -6.605 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.106 2.468 -6.730 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.388 2.191 -9.193 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.606 3.471 -8.977 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.642 2.444 -10.430 1.00 10.00 H new ATOM 848 N ASP A 53 6.127 1.259 -6.841 1.00 10.00 N ATOM 849 CA ASP A 53 6.961 0.493 -5.920 1.00 10.00 C ATOM 850 C ASP A 53 6.385 0.663 -4.513 1.00 10.00 C ATOM 851 O ASP A 53 6.020 1.772 -4.115 1.00 10.00 O ATOM 852 CB ASP A 53 8.424 0.986 -5.910 1.00 10.00 C ATOM 853 CG ASP A 53 9.065 1.272 -7.272 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.558 2.137 -8.024 1.00 10.00 O ATOM 855 OD2 ASP A 53 10.151 0.715 -7.555 1.00 10.00 O ATOM 0 H ASP A 53 5.871 2.174 -6.470 1.00 10.00 H new ATOM 0 HA ASP A 53 6.961 -0.548 -6.242 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.471 1.897 -5.314 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.031 0.239 -5.399 1.00 10.00 H new ATOM 860 N ILE A 54 6.320 -0.426 -3.744 1.00 10.00 N ATOM 861 CA ILE A 54 5.811 -0.402 -2.374 1.00 10.00 C ATOM 862 C ILE A 54 6.786 -1.147 -1.462 1.00 10.00 C ATOM 863 O ILE A 54 7.216 -2.261 -1.771 1.00 10.00 O ATOM 864 CB ILE A 54 4.398 -1.019 -2.306 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.409 -0.422 -3.337 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.842 -0.848 -0.889 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.989 -1.002 -3.257 1.00 10.00 C ATOM 0 H ILE A 54 6.620 -1.350 -4.056 1.00 10.00 H new ATOM 0 HA ILE A 54 5.731 0.631 -2.035 1.00 10.00 H new ATOM 0 HB ILE A 54 4.499 -2.074 -2.559 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.357 0.657 -3.191 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.802 -0.590 -4.340 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.844 -1.282 -0.835 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.496 -1.353 -0.178 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.790 0.213 -0.644 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.360 -0.530 -4.012 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.025 -2.077 -3.434 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.573 -0.811 -2.268 1.00 10.00 H new ATOM 879 N SER A 55 7.142 -0.532 -0.332 1.00 10.00 N ATOM 880 CA SER A 55 7.876 -1.172 0.762 1.00 10.00 C ATOM 881 C SER A 55 7.199 -0.876 2.099 1.00 10.00 C ATOM 882 O SER A 55 6.855 0.273 2.375 1.00 10.00 O ATOM 883 CB SER A 55 9.332 -0.707 0.747 1.00 10.00 C ATOM 884 OG SER A 55 9.947 -1.222 -0.416 1.00 10.00 O ATOM 0 H SER A 55 6.923 0.447 -0.148 1.00 10.00 H new ATOM 0 HA SER A 55 7.866 -2.253 0.625 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.384 0.382 0.754 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.852 -1.057 1.639 1.00 10.00 H new ATOM 0 HG SER A 55 10.883 -0.934 -0.446 1.00 10.00 H new ATOM 890 N ALA A 56 7.012 -1.910 2.923 1.00 10.00 N ATOM 891 CA ALA A 56 6.428 -1.807 4.257 1.00 10.00 C ATOM 892 C ALA A 56 7.291 -2.546 5.289 1.00 10.00 C ATOM 893 O ALA A 56 7.889 -3.575 4.977 1.00 10.00 O ATOM 894 CB ALA A 56 4.995 -2.349 4.210 1.00 10.00 C ATOM 0 H ALA A 56 7.270 -2.864 2.672 1.00 10.00 H new ATOM 0 HA ALA A 56 6.396 -0.764 4.570 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.546 -2.278 5.201 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.408 -1.763 3.503 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.011 -3.392 3.893 1.00 10.00 H new ATOM 900 N GLU A 57 7.310 -2.032 6.519 1.00 10.00 N ATOM 901 CA GLU A 57 8.110 -2.523 7.639 1.00 10.00 C ATOM 902 C GLU A 57 7.285 -2.578 8.928 1.00 10.00 C ATOM 903 O GLU A 57 6.393 -1.752 9.146 1.00 10.00 O ATOM 904 CB GLU A 57 9.344 -1.623 7.844 1.00 10.00 C ATOM 905 CG GLU A 57 10.659 -2.315 7.473 1.00 10.00 C ATOM 906 CD GLU A 57 11.098 -3.380 8.487 1.00 10.00 C ATOM 907 OE1 GLU A 57 10.238 -4.187 8.911 1.00 10.00 O ATOM 908 OE2 GLU A 57 12.300 -3.330 8.856 1.00 10.00 O ATOM 0 H GLU A 57 6.741 -1.224 6.772 1.00 10.00 H new ATOM 0 HA GLU A 57 8.437 -3.535 7.401 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.233 -0.721 7.243 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.387 -1.308 8.886 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.552 -2.780 6.493 1.00 10.00 H new ATOM 0 HG3 GLU A 57 11.444 -1.563 7.385 1.00 10.00 H new ATOM 915 N LEU A 58 7.612 -3.561 9.773 1.00 10.00 N ATOM 916 CA LEU A 58 6.853 -3.959 10.961 1.00 10.00 C ATOM 917 C LEU A 58 7.792 -3.984 12.166 1.00 10.00 C ATOM 918 O LEU A 58 8.555 -4.934 12.344 1.00 10.00 O ATOM 919 CB LEU A 58 6.213 -5.355 10.746 1.00 10.00 C ATOM 920 CG LEU A 58 4.739 -5.400 10.313 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.786 -5.042 11.459 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.447 -4.518 9.102 1.00 10.00 C ATOM 0 H LEU A 58 8.451 -4.126 9.641 1.00 10.00 H new ATOM 0 HA LEU A 58 6.052 -3.242 11.140 1.00 10.00 H new ATOM 0 HB2 LEU A 58 6.801 -5.882 9.995 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.308 -5.915 11.676 1.00 10.00 H new ATOM 0 HG LEU A 58 4.559 -6.435 10.022 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.757 -5.088 11.104 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.919 -5.749 12.277 1.00 10.00 H new ATOM 0 HD13 LEU A 58 4.004 -4.034 11.812 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.390 -4.592 8.844 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.691 -3.482 9.339 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.051 -4.849 8.257 1.00 10.00 H new ATOM 934 N TYR A 59 7.696 -2.971 13.033 1.00 10.00 N ATOM 935 CA TYR A 59 8.472 -2.935 14.263 1.00 10.00 C ATOM 936 C TYR A 59 7.546 -3.300 15.418 1.00 10.00 C ATOM 937 O TYR A 59 6.690 -2.526 15.837 1.00 10.00 O ATOM 938 CB TYR A 59 9.225 -1.598 14.363 1.00 10.00 C ATOM 939 CG TYR A 59 10.210 -1.397 13.211 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.085 -2.444 12.846 1.00 10.00 C ATOM 941 CD2 TYR A 59 10.211 -0.206 12.450 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.908 -2.328 11.718 1.00 10.00 C ATOM 943 CE2 TYR A 59 11.076 -0.068 11.346 1.00 10.00 C ATOM 944 CZ TYR A 59 11.907 -1.141 10.963 1.00 10.00 C ATOM 945 OH TYR A 59 12.636 -1.089 9.819 1.00 10.00 O ATOM 0 H TYR A 59 7.085 -2.166 12.899 1.00 10.00 H new ATOM 0 HA TYR A 59 9.270 -3.677 14.291 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.506 -0.779 14.370 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.764 -1.557 15.310 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.120 -3.344 13.443 1.00 10.00 H new ATOM 0 HD2 TYR A 59 9.546 0.602 12.716 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.544 -3.151 11.428 1.00 10.00 H new ATOM 0 HE2 TYR A 59 11.102 0.859 10.793 1.00 10.00 H new ATOM 0 HH TYR A 59 12.917 -1.994 9.569 1.00 10.00 H new ATOM 955 N LEU A 60 7.693 -4.548 15.868 1.00 10.00 N ATOM 956 CA LEU A 60 6.890 -5.211 16.890 1.00 10.00 C ATOM 957 C LEU A 60 7.451 -4.974 18.296 1.00 10.00 C ATOM 958 O LEU A 60 8.649 -4.752 18.466 1.00 10.00 O ATOM 959 CB LEU A 60 6.835 -6.718 16.571 1.00 10.00 C ATOM 960 CG LEU A 60 5.851 -7.065 15.438 1.00 10.00 C ATOM 961 CD1 LEU A 60 6.079 -8.498 14.952 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.397 -6.955 15.908 1.00 10.00 C ATOM 0 H LEU A 60 8.424 -5.159 15.503 1.00 10.00 H new ATOM 0 HA LEU A 60 5.885 -4.790 16.878 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.832 -7.060 16.294 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.549 -7.263 17.471 1.00 10.00 H new ATOM 0 HG LEU A 60 6.030 -6.354 14.632 1.00 10.00 H new ATOM 0 HD11 LEU A 60 5.376 -8.727 14.151 1.00 10.00 H new ATOM 0 HD12 LEU A 60 7.098 -8.598 14.579 1.00 10.00 H new ATOM 0 HD13 LEU A 60 5.926 -9.191 15.779 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.728 -7.206 15.085 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.229 -7.645 16.735 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.198 -5.936 16.239 1.00 10.00 H new ATOM 974 N ASP A 61 6.569 -5.006 19.301 1.00 10.00 N ATOM 975 CA ASP A 61 6.994 -5.023 20.707 1.00 10.00 C ATOM 976 C ASP A 61 7.875 -6.253 21.005 1.00 10.00 C ATOM 977 O ASP A 61 7.651 -7.340 20.470 1.00 10.00 O ATOM 978 CB ASP A 61 5.759 -4.941 21.626 1.00 10.00 C ATOM 979 CG ASP A 61 6.084 -4.786 23.119 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.233 -4.393 23.430 1.00 10.00 O ATOM 981 OD2 ASP A 61 5.175 -5.069 23.934 1.00 10.00 O ATOM 0 H ASP A 61 5.558 -5.021 19.168 1.00 10.00 H new ATOM 0 HA ASP A 61 7.613 -4.149 20.907 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.144 -4.098 21.312 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.160 -5.841 21.489 1.00 10.00 H new ATOM 986 N GLU A 62 8.840 -6.100 21.919 1.00 10.00 N ATOM 987 CA GLU A 62 9.832 -7.118 22.326 1.00 10.00 C ATOM 988 C GLU A 62 9.207 -8.314 23.084 1.00 10.00 C ATOM 989 O GLU A 62 9.912 -9.176 23.608 1.00 10.00 O ATOM 990 CB GLU A 62 10.928 -6.439 23.175 1.00 10.00 C ATOM 991 CG GLU A 62 11.850 -5.502 22.376 1.00 10.00 C ATOM 992 CD GLU A 62 12.951 -6.267 21.627 1.00 10.00 C ATOM 993 OE1 GLU A 62 12.604 -7.014 20.685 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.131 -6.100 22.011 1.00 10.00 O ATOM 0 H GLU A 62 8.962 -5.222 22.423 1.00 10.00 H new ATOM 0 HA GLU A 62 10.265 -7.540 21.419 1.00 10.00 H new ATOM 0 HB2 GLU A 62 10.453 -5.870 23.974 1.00 10.00 H new ATOM 0 HB3 GLU A 62 11.535 -7.210 23.650 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.255 -4.933 21.661 1.00 10.00 H new ATOM 0 HG3 GLU A 62 12.308 -4.782 23.054 1.00 10.00 H new ATOM 1001 N LEU A 63 7.873 -8.360 23.136 1.00 10.00 N ATOM 1002 CA LEU A 63 7.037 -9.385 23.756 1.00 10.00 C ATOM 1003 C LEU A 63 5.943 -9.899 22.793 1.00 10.00 C ATOM 1004 O LEU A 63 5.122 -10.723 23.194 1.00 10.00 O ATOM 1005 CB LEU A 63 6.428 -8.790 25.042 1.00 10.00 C ATOM 1006 CG LEU A 63 7.453 -8.382 26.122 1.00 10.00 C ATOM 1007 CD1 LEU A 63 6.738 -7.643 27.256 1.00 10.00 C ATOM 1008 CD2 LEU A 63 8.181 -9.593 26.716 1.00 10.00 C ATOM 0 H LEU A 63 7.309 -7.624 22.712 1.00 10.00 H new ATOM 0 HA LEU A 63 7.648 -10.254 24.002 1.00 10.00 H new ATOM 0 HB2 LEU A 63 5.837 -7.914 24.774 1.00 10.00 H new ATOM 0 HB3 LEU A 63 5.741 -9.519 25.472 1.00 10.00 H new ATOM 0 HG LEU A 63 8.190 -7.740 25.640 1.00 10.00 H new ATOM 0 HD11 LEU A 63 7.463 -7.356 28.017 1.00 10.00 H new ATOM 0 HD12 LEU A 63 6.254 -6.750 26.860 1.00 10.00 H new ATOM 0 HD13 LEU A 63 5.986 -8.296 27.699 1.00 10.00 H new ATOM 0 HD21 LEU A 63 8.892 -9.256 27.471 1.00 10.00 H new ATOM 0 HD22 LEU A 63 7.455 -10.265 27.175 1.00 10.00 H new ATOM 0 HD23 LEU A 63 8.715 -10.121 25.925 1.00 10.00 H new ATOM 1020 N SER A 64 5.924 -9.428 21.536 1.00 10.00 N ATOM 1021 CA SER A 64 5.014 -9.888 20.479 1.00 10.00 C ATOM 1022 C SER A 64 5.602 -11.078 19.703 1.00 10.00 C ATOM 1023 O SER A 64 6.806 -11.325 19.737 1.00 10.00 O ATOM 1024 CB SER A 64 4.732 -8.733 19.511 1.00 10.00 C ATOM 1025 OG SER A 64 4.015 -7.711 20.171 1.00 10.00 O ATOM 0 H SER A 64 6.560 -8.696 21.220 1.00 10.00 H new ATOM 0 HA SER A 64 4.088 -10.219 20.950 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.670 -8.337 19.122 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.160 -9.096 18.657 1.00 10.00 H new ATOM 0 HG SER A 64 4.007 -6.905 19.614 1.00 10.00 H new ATOM 1031 N ASP A 65 4.750 -11.804 18.968 1.00 10.00 N ATOM 1032 CA ASP A 65 5.100 -12.997 18.205 1.00 10.00 C ATOM 1033 C ASP A 65 4.034 -13.182 17.114 1.00 10.00 C ATOM 1034 O ASP A 65 2.863 -13.426 17.401 1.00 10.00 O ATOM 1035 CB ASP A 65 5.185 -14.219 19.141 1.00 10.00 C ATOM 1036 CG ASP A 65 5.679 -15.481 18.426 1.00 10.00 C ATOM 1037 OD1 ASP A 65 6.423 -15.329 17.431 1.00 10.00 O ATOM 1038 OD2 ASP A 65 5.329 -16.584 18.902 1.00 10.00 O ATOM 0 H ASP A 65 3.762 -11.563 18.889 1.00 10.00 H new ATOM 0 HA ASP A 65 6.079 -12.891 17.737 1.00 10.00 H new ATOM 0 HB2 ASP A 65 5.855 -13.990 19.970 1.00 10.00 H new ATOM 0 HB3 ASP A 65 4.202 -14.411 19.570 1.00 10.00 H new ATOM 1043 N ALA A 66 4.444 -12.971 15.865 1.00 10.00 N ATOM 1044 CA ALA A 66 3.604 -12.924 14.671 1.00 10.00 C ATOM 1045 C ALA A 66 4.165 -13.785 13.514 1.00 10.00 C ATOM 1046 O ALA A 66 5.214 -14.414 13.647 1.00 10.00 O ATOM 1047 CB ALA A 66 3.447 -11.447 14.289 1.00 10.00 C ATOM 0 H ALA A 66 5.429 -12.819 15.647 1.00 10.00 H new ATOM 0 HA ALA A 66 2.628 -13.362 14.881 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.824 -11.366 13.398 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.977 -10.907 15.111 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.428 -11.017 14.086 1.00 10.00 H new ATOM 1053 N ASP A 67 3.496 -13.798 12.350 1.00 10.00 N ATOM 1054 CA ASP A 67 3.810 -14.763 11.287 1.00 10.00 C ATOM 1055 C ASP A 67 4.959 -14.283 10.370 1.00 10.00 C ATOM 1056 O ASP A 67 5.021 -13.095 10.032 1.00 10.00 O ATOM 1057 CB ASP A 67 2.571 -15.001 10.406 1.00 10.00 C ATOM 1058 CG ASP A 67 1.387 -15.614 11.156 1.00 10.00 C ATOM 1059 OD1 ASP A 67 1.596 -16.638 11.836 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.267 -15.066 10.994 1.00 10.00 O ATOM 0 H ASP A 67 2.738 -13.154 12.123 1.00 10.00 H new ATOM 0 HA ASP A 67 4.122 -15.680 11.786 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.260 -14.052 9.969 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.845 -15.658 9.580 1.00 10.00 H new ATOM 1065 N PRO A 68 5.836 -15.199 9.892 1.00 10.00 N ATOM 1066 CA PRO A 68 7.028 -14.909 9.074 1.00 10.00 C ATOM 1067 C PRO A 68 6.701 -14.541 7.607 1.00 10.00 C ATOM 1068 O PRO A 68 7.303 -15.046 6.662 1.00 10.00 O ATOM 1069 CB PRO A 68 7.912 -16.157 9.219 1.00 10.00 C ATOM 1070 CG PRO A 68 6.889 -17.280 9.346 1.00 10.00 C ATOM 1071 CD PRO A 68 5.797 -16.628 10.191 1.00 10.00 C ATOM 0 HA PRO A 68 7.544 -14.014 9.421 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.561 -16.296 8.354 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.557 -16.096 10.095 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.514 -17.601 8.374 1.00 10.00 H new ATOM 0 HG3 PRO A 68 7.309 -18.160 9.832 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.820 -17.047 9.952 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.970 -16.807 11.252 1.00 10.00 H new ATOM 1079 N GLY A 69 5.717 -13.659 7.437 1.00 10.00 N ATOM 1080 CA GLY A 69 5.247 -13.093 6.169 1.00 10.00 C ATOM 1081 C GLY A 69 4.055 -12.129 6.309 1.00 10.00 C ATOM 1082 O GLY A 69 3.403 -11.812 5.315 1.00 10.00 O ATOM 0 H GLY A 69 5.191 -13.296 8.232 1.00 10.00 H new ATOM 0 HA2 GLY A 69 6.073 -12.565 5.692 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.964 -13.908 5.503 1.00 10.00 H new ATOM 1086 N ILE A 70 3.734 -11.674 7.532 1.00 10.00 N ATOM 1087 CA ILE A 70 2.498 -10.940 7.837 1.00 10.00 C ATOM 1088 C ILE A 70 2.382 -9.584 7.123 1.00 10.00 C ATOM 1089 O ILE A 70 1.276 -9.095 6.894 1.00 10.00 O ATOM 1090 CB ILE A 70 2.371 -10.817 9.374 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.899 -10.853 9.811 1.00 10.00 C ATOM 1092 CG2 ILE A 70 3.087 -9.585 9.970 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.758 -11.433 11.222 1.00 10.00 C ATOM 0 H ILE A 70 4.334 -11.808 8.346 1.00 10.00 H new ATOM 0 HA ILE A 70 1.657 -11.509 7.441 1.00 10.00 H new ATOM 0 HB ILE A 70 2.888 -11.687 9.779 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.484 -9.846 9.785 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.322 -11.454 9.108 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.950 -9.572 11.051 1.00 10.00 H new ATOM 0 HG22 ILE A 70 4.151 -9.636 9.740 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.666 -8.676 9.540 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.294 -11.447 11.506 1.00 10.00 H new ATOM 0 HD12 ILE A 70 1.152 -12.449 11.239 1.00 10.00 H new ATOM 0 HD13 ILE A 70 1.316 -10.816 11.926 1.00 10.00 H new ATOM 1105 N VAL A 71 3.525 -8.986 6.768 1.00 10.00 N ATOM 1106 CA VAL A 71 3.608 -7.749 5.992 1.00 10.00 C ATOM 1107 C VAL A 71 3.566 -8.005 4.494 1.00 10.00 C ATOM 1108 O VAL A 71 2.889 -7.261 3.794 1.00 10.00 O ATOM 1109 CB VAL A 71 4.840 -6.934 6.401 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.186 -7.656 6.230 1.00 10.00 C ATOM 1111 CG2 VAL A 71 4.902 -5.585 5.677 1.00 10.00 C ATOM 0 H VAL A 71 4.440 -9.361 7.020 1.00 10.00 H new ATOM 0 HA VAL A 71 2.723 -7.156 6.223 1.00 10.00 H new ATOM 0 HB VAL A 71 4.699 -6.782 7.471 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.995 -6.997 6.546 1.00 10.00 H new ATOM 0 HG12 VAL A 71 6.194 -8.559 6.840 1.00 10.00 H new ATOM 0 HG13 VAL A 71 6.325 -7.924 5.183 1.00 10.00 H new ATOM 0 HG21 VAL A 71 5.791 -5.041 5.997 1.00 10.00 H new ATOM 0 HG22 VAL A 71 4.946 -5.751 4.601 1.00 10.00 H new ATOM 0 HG23 VAL A 71 4.013 -5.002 5.918 1.00 10.00 H new ATOM 1121 N ASP A 72 4.204 -9.068 3.998 1.00 10.00 N ATOM 1122 CA ASP A 72 4.155 -9.492 2.599 1.00 10.00 C ATOM 1123 C ASP A 72 2.705 -9.678 2.131 1.00 10.00 C ATOM 1124 O ASP A 72 2.353 -9.248 1.032 1.00 10.00 O ATOM 1125 CB ASP A 72 4.969 -10.786 2.431 1.00 10.00 C ATOM 1126 CG ASP A 72 6.367 -10.685 3.054 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.430 -10.618 4.307 1.00 10.00 O ATOM 1128 OD2 ASP A 72 7.344 -10.655 2.276 1.00 10.00 O ATOM 0 H ASP A 72 4.785 -9.674 4.577 1.00 10.00 H new ATOM 0 HA ASP A 72 4.596 -8.716 1.973 1.00 10.00 H new ATOM 0 HB2 ASP A 72 4.429 -11.614 2.891 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.063 -11.017 1.370 1.00 10.00 H new ATOM 1133 N GLU A 73 1.839 -10.179 3.026 1.00 10.00 N ATOM 1134 CA GLU A 73 0.395 -10.256 2.800 1.00 10.00 C ATOM 1135 C GLU A 73 -0.234 -8.861 2.655 1.00 10.00 C ATOM 1136 O GLU A 73 -1.077 -8.672 1.775 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.294 -10.934 3.995 1.00 10.00 C ATOM 1138 CG GLU A 73 0.023 -12.414 4.234 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.583 -12.892 5.566 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.724 -12.497 5.901 1.00 10.00 O ATOM 1141 OE2 GLU A 73 0.087 -13.654 6.297 1.00 10.00 O ATOM 0 H GLU A 73 2.128 -10.544 3.933 1.00 10.00 H new ATOM 0 HA GLU A 73 0.253 -10.825 1.881 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -0.030 -10.381 4.896 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.372 -10.835 3.865 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.372 -13.013 3.413 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.103 -12.562 4.246 1.00 10.00 H new ATOM 1148 N ALA A 74 0.185 -7.877 3.470 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.310 -6.507 3.378 1.00 10.00 C ATOM 1150 C ALA A 74 0.155 -5.822 2.086 1.00 10.00 C ATOM 1151 O ALA A 74 -0.644 -5.162 1.418 1.00 10.00 O ATOM 1152 CB ALA A 74 0.154 -5.710 4.605 1.00 10.00 C ATOM 0 H ALA A 74 0.876 -8.017 4.208 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.399 -6.538 3.354 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.216 -4.687 4.536 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.235 -6.176 5.510 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.243 -5.700 4.642 1.00 10.00 H new ATOM 1158 N VAL A 75 1.430 -5.994 1.705 1.00 10.00 N ATOM 1159 CA VAL A 75 1.964 -5.376 0.488 1.00 10.00 C ATOM 1160 C VAL A 75 1.324 -6.000 -0.756 1.00 10.00 C ATOM 1161 O VAL A 75 0.853 -5.268 -1.620 1.00 10.00 O ATOM 1162 CB VAL A 75 3.505 -5.424 0.399 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.969 -4.264 -0.482 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.235 -5.240 1.736 1.00 10.00 C ATOM 0 H VAL A 75 2.107 -6.555 2.223 1.00 10.00 H new ATOM 0 HA VAL A 75 1.699 -4.320 0.536 1.00 10.00 H new ATOM 0 HB VAL A 75 3.743 -6.416 0.015 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.056 -4.278 -0.559 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.533 -4.365 -1.476 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.649 -3.321 -0.040 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.312 -5.289 1.572 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.976 -4.270 2.161 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.937 -6.030 2.425 1.00 10.00 H new ATOM 1174 N ASP A 76 1.209 -7.332 -0.825 1.00 10.00 N ATOM 1175 CA ASP A 76 0.449 -8.040 -1.862 1.00 10.00 C ATOM 1176 C ASP A 76 -1.035 -7.625 -1.880 1.00 10.00 C ATOM 1177 O ASP A 76 -1.634 -7.493 -2.948 1.00 10.00 O ATOM 1178 CB ASP A 76 0.619 -9.554 -1.641 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.027 -10.419 -2.727 1.00 10.00 C ATOM 1180 OD1 ASP A 76 -0.048 -9.977 -3.895 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.530 -11.506 -2.365 1.00 10.00 O ATOM 0 H ASP A 76 1.649 -7.958 -0.151 1.00 10.00 H new ATOM 0 HA ASP A 76 0.840 -7.769 -2.842 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.683 -9.786 -1.591 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.189 -9.820 -0.675 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.663 -7.378 -0.722 1.00 10.00 N ATOM 1187 CA ALA A 77 -3.023 -6.828 -0.676 1.00 10.00 C ATOM 1188 C ALA A 77 -3.092 -5.425 -1.300 1.00 10.00 C ATOM 1189 O ALA A 77 -4.020 -5.149 -2.065 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.557 -6.843 0.761 1.00 10.00 C ATOM 0 H ALA A 77 -1.250 -7.551 0.195 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.668 -7.466 -1.280 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.566 -6.432 0.778 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.576 -7.868 1.131 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.909 -6.240 1.396 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.097 -4.563 -1.053 1.00 10.00 N ATOM 1197 CA ALA A 78 -1.976 -3.280 -1.741 1.00 10.00 C ATOM 1198 C ALA A 78 -1.687 -3.438 -3.244 1.00 10.00 C ATOM 1199 O ALA A 78 -2.343 -2.773 -4.040 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.928 -2.418 -1.036 1.00 10.00 C ATOM 0 H ALA A 78 -1.358 -4.738 -0.372 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.939 -2.772 -1.686 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.838 -1.461 -1.550 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.232 -2.248 -0.003 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.034 -2.930 -1.052 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.792 -4.342 -3.667 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.516 -4.579 -5.092 1.00 10.00 C ATOM 1208 C TYR A 79 -1.751 -5.093 -5.855 1.00 10.00 C ATOM 1209 O TYR A 79 -2.069 -4.572 -6.927 1.00 10.00 O ATOM 1210 CB TYR A 79 0.654 -5.568 -5.245 1.00 10.00 C ATOM 1211 CG TYR A 79 2.037 -5.001 -4.961 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.536 -3.964 -5.777 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.850 -5.540 -3.939 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.829 -3.448 -5.566 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.157 -5.042 -3.745 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.643 -3.982 -4.546 1.00 10.00 C ATOM 1217 OH TYR A 79 5.880 -3.448 -4.330 1.00 10.00 O ATOM 0 H TYR A 79 -0.242 -4.926 -3.037 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.246 -3.619 -5.532 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.483 -6.412 -4.576 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.644 -5.960 -6.262 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.922 -3.563 -6.569 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.473 -6.331 -3.308 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.197 -2.643 -6.185 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.788 -5.472 -2.982 1.00 10.00 H new ATOM 0 HH TYR A 79 6.057 -3.412 -3.367 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.511 -6.033 -5.275 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.783 -6.514 -5.844 1.00 10.00 C ATOM 1229 C ARG A 80 -4.868 -5.431 -5.816 1.00 10.00 C ATOM 1230 O ARG A 80 -5.701 -5.358 -6.723 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.239 -7.771 -5.087 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.314 -8.973 -5.368 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.584 -10.152 -4.425 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.238 -9.813 -3.034 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.293 -10.621 -1.981 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -3.717 -11.858 -2.093 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -2.923 -10.210 -0.789 1.00 10.00 N ATOM 0 H ARG A 80 -2.262 -6.484 -4.395 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.618 -6.765 -6.892 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.254 -7.566 -4.017 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.259 -8.021 -5.378 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.449 -9.298 -6.400 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.275 -8.660 -5.266 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.635 -10.433 -4.482 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -3.004 -11.018 -4.746 1.00 10.00 H new ATOM 0 HE ARG A 80 -2.923 -8.858 -2.861 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -4.012 -12.216 -3.001 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -3.751 -12.462 -1.272 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -2.586 -9.256 -0.660 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -2.972 -10.845 0.008 1.00 10.00 H new ATOM 1251 N SER A 81 -4.841 -4.552 -4.809 1.00 10.00 N ATOM 1252 CA SER A 81 -5.716 -3.376 -4.742 1.00 10.00 C ATOM 1253 C SER A 81 -5.345 -2.321 -5.791 1.00 10.00 C ATOM 1254 O SER A 81 -6.241 -1.701 -6.354 1.00 10.00 O ATOM 1255 CB SER A 81 -5.703 -2.758 -3.342 1.00 10.00 C ATOM 1256 OG SER A 81 -6.086 -3.726 -2.386 1.00 10.00 O ATOM 0 H SER A 81 -4.208 -4.636 -4.013 1.00 10.00 H new ATOM 0 HA SER A 81 -6.726 -3.722 -4.963 1.00 10.00 H new ATOM 0 HB2 SER A 81 -4.707 -2.380 -3.111 1.00 10.00 H new ATOM 0 HB3 SER A 81 -6.384 -1.907 -3.304 1.00 10.00 H new ATOM 0 HG SER A 81 -5.286 -4.156 -2.017 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.056 -2.150 -6.112 1.00 10.00 N ATOM 1263 CA LEU A 82 -3.583 -1.284 -7.197 1.00 10.00 C ATOM 1264 C LEU A 82 -4.023 -1.824 -8.563 1.00 10.00 C ATOM 1265 O LEU A 82 -4.579 -1.081 -9.373 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.044 -1.152 -7.109 1.00 10.00 C ATOM 1267 CG LEU A 82 -1.386 0.002 -7.896 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -0.971 -0.447 -9.298 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -2.238 1.275 -7.986 1.00 10.00 C ATOM 0 H LEU A 82 -3.299 -2.619 -5.615 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.028 -0.295 -7.088 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -1.775 -1.041 -6.059 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -1.605 -2.088 -7.453 1.00 10.00 H new ATOM 0 HG LEU A 82 -0.501 0.265 -7.316 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -0.511 0.388 -9.826 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -0.256 -1.266 -9.221 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -1.850 -0.784 -9.847 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -1.700 2.033 -8.555 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -3.180 1.048 -8.484 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -2.440 1.650 -6.982 1.00 10.00 H new ATOM 1281 N GLU A 83 -3.847 -3.129 -8.800 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.362 -3.786 -10.005 1.00 10.00 C ATOM 1283 C GLU A 83 -5.892 -3.640 -10.116 1.00 10.00 C ATOM 1284 O GLU A 83 -6.404 -3.269 -11.173 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.923 -5.261 -9.949 1.00 10.00 C ATOM 1286 CG GLU A 83 -4.327 -6.077 -11.180 1.00 10.00 C ATOM 1287 CD GLU A 83 -3.738 -7.490 -11.100 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -4.147 -8.234 -10.180 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.870 -7.804 -11.945 1.00 10.00 O ATOM 0 H GLU A 83 -3.348 -3.754 -8.167 1.00 10.00 H new ATOM 0 HA GLU A 83 -3.956 -3.314 -10.900 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -2.840 -5.303 -9.837 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.353 -5.724 -9.061 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -5.414 -6.132 -11.247 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -3.976 -5.580 -12.085 1.00 10.00 H new ATOM 1296 N SER A 84 -6.603 -3.785 -8.992 1.00 10.00 N ATOM 1297 CA SER A 84 -8.055 -3.581 -8.902 1.00 10.00 C ATOM 1298 C SER A 84 -8.455 -2.121 -9.156 1.00 10.00 C ATOM 1299 O SER A 84 -9.481 -1.859 -9.778 1.00 10.00 O ATOM 1300 CB SER A 84 -8.575 -4.012 -7.524 1.00 10.00 C ATOM 1301 OG SER A 84 -8.211 -5.344 -7.215 1.00 10.00 O ATOM 0 H SER A 84 -6.179 -4.052 -8.104 1.00 10.00 H new ATOM 0 HA SER A 84 -8.506 -4.197 -9.680 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.180 -3.341 -6.761 1.00 10.00 H new ATOM 0 HB3 SER A 84 -9.661 -3.918 -7.500 1.00 10.00 H new ATOM 0 HG SER A 84 -7.294 -5.361 -6.869 1.00 10.00 H new ATOM 1307 N PHE A 85 -7.648 -1.153 -8.709 1.00 10.00 N ATOM 1308 CA PHE A 85 -7.879 0.271 -8.950 1.00 10.00 C ATOM 1309 C PHE A 85 -7.762 0.619 -10.443 1.00 10.00 C ATOM 1310 O PHE A 85 -8.604 1.355 -10.956 1.00 10.00 O ATOM 1311 CB PHE A 85 -6.889 1.066 -8.082 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.022 2.577 -8.092 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.657 3.309 -9.237 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.419 3.259 -6.925 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.670 4.716 -9.210 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.436 4.665 -6.897 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.061 5.392 -8.039 1.00 10.00 C ATOM 0 H PHE A 85 -6.807 -1.341 -8.164 1.00 10.00 H new ATOM 0 HA PHE A 85 -8.898 0.538 -8.669 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -6.991 0.724 -7.052 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -5.879 0.813 -8.403 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.366 2.790 -10.138 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -7.711 2.700 -6.048 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.380 5.276 -10.087 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -7.737 5.185 -5.999 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.073 6.472 -8.018 1.00 10.00 H new ATOM 1327 N LEU A 86 -6.768 0.075 -11.165 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.672 0.287 -12.616 1.00 10.00 C ATOM 1329 C LEU A 86 -7.717 -0.517 -13.396 1.00 10.00 C ATOM 1330 O LEU A 86 -8.232 -0.003 -14.394 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.271 -0.047 -13.154 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.172 1.024 -12.965 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.608 2.454 -13.308 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -3.604 1.034 -11.550 1.00 10.00 C ATOM 0 H LEU A 86 -6.029 -0.508 -10.772 1.00 10.00 H new ATOM 0 HA LEU A 86 -6.868 1.348 -12.770 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.934 -0.966 -12.674 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.359 -0.258 -14.220 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.407 0.722 -13.680 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -3.774 3.137 -13.146 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -4.917 2.500 -14.352 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -5.443 2.743 -12.670 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -2.836 1.804 -11.471 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -4.403 1.244 -10.839 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.166 0.061 -11.327 1.00 10.00 H new