USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 23 TYR OH : rot 80:sc= -0.135 USER MOD Set 2.2: A 57 SER OG : rot -76:sc= 1.26 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= 0.69 (180deg=0.215) USER MOD Single : A 29 THR OG1 : rot -61:sc= 0.711 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 37 SER OG : rot 180:sc= 0.35 USER MOD Single : A 38 GLN : amide:sc= -0.473 K(o=-0.47,f=-3.8!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.527 K(o=0.53,f=-4.7!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.118 K(o=-0.12,f=-3.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0718 (180deg=-0.352) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.18) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 10.393 -5.754 8.643 1.00 0.00 N ATOM 153 CA TYR A 23 9.825 -4.922 7.601 1.00 0.00 C ATOM 154 C TYR A 23 8.960 -3.861 8.248 1.00 0.00 C ATOM 155 O TYR A 23 8.269 -4.074 9.247 1.00 0.00 O ATOM 156 CB TYR A 23 9.091 -5.844 6.628 1.00 0.00 C ATOM 157 CG TYR A 23 8.425 -5.240 5.404 1.00 0.00 C ATOM 158 CD1 TYR A 23 9.179 -4.620 4.387 1.00 0.00 C ATOM 159 CD2 TYR A 23 7.027 -5.276 5.393 1.00 0.00 C ATOM 160 CE1 TYR A 23 8.430 -4.065 3.346 1.00 0.00 C ATOM 161 CE2 TYR A 23 6.291 -4.657 4.379 1.00 0.00 C ATOM 162 CZ TYR A 23 7.027 -3.964 3.386 1.00 0.00 C ATOM 163 OH TYR A 23 6.400 -3.316 2.362 1.00 0.00 O ATOM 0 HA TYR A 23 10.574 -4.381 7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.805 -6.591 6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.324 -6.375 7.192 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.258 -4.577 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.505 -5.793 6.185 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.950 -3.698 2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.212 -4.705 4.353 1.00 0.00 H new ATOM 0 HH TYR A 23 6.325 -3.917 1.592 1.00 0.00 H new ATOM 173 N TYR A 24 8.793 -2.712 7.576 1.00 0.00 N ATOM 174 CA TYR A 24 8.220 -1.531 8.177 1.00 0.00 C ATOM 175 C TYR A 24 6.718 -1.689 8.388 1.00 0.00 C ATOM 176 O TYR A 24 5.941 -2.320 7.686 1.00 0.00 O ATOM 177 CB TYR A 24 8.525 -0.288 7.348 1.00 0.00 C ATOM 178 CG TYR A 24 8.393 1.037 8.051 1.00 0.00 C ATOM 179 CD1 TYR A 24 9.135 1.320 9.209 1.00 0.00 C ATOM 180 CD2 TYR A 24 7.786 2.128 7.418 1.00 0.00 C ATOM 181 CE1 TYR A 24 9.169 2.576 9.809 1.00 0.00 C ATOM 182 CE2 TYR A 24 7.788 3.416 7.979 1.00 0.00 C ATOM 183 CZ TYR A 24 8.481 3.644 9.190 1.00 0.00 C ATOM 184 OH TYR A 24 8.557 4.916 9.638 1.00 0.00 O ATOM 0 H TYR A 24 9.057 -2.591 6.598 1.00 0.00 H new ATOM 0 HA TYR A 24 8.682 -1.404 9.156 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.543 -0.373 6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.861 -0.283 6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.709 0.522 9.657 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.300 1.974 6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.711 2.731 10.730 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.265 4.224 7.490 1.00 0.00 H new ATOM 0 HH TYR A 24 8.009 5.496 9.069 1.00 0.00 H new ATOM 194 N LYS A 25 6.172 -1.200 9.508 1.00 0.00 N ATOM 195 CA LYS A 25 4.933 -1.658 10.124 1.00 0.00 C ATOM 196 C LYS A 25 3.683 -0.913 9.748 1.00 0.00 C ATOM 197 O LYS A 25 2.758 -1.653 9.449 1.00 0.00 O ATOM 198 CB LYS A 25 5.172 -1.672 11.633 1.00 0.00 C ATOM 199 CG LYS A 25 6.362 -2.455 12.169 1.00 0.00 C ATOM 200 CD LYS A 25 6.432 -2.418 13.695 1.00 0.00 C ATOM 201 CE LYS A 25 7.177 -3.656 14.179 1.00 0.00 C ATOM 202 NZ LYS A 25 7.301 -3.821 15.635 1.00 0.00 N ATOM 0 H LYS A 25 6.607 -0.439 10.029 1.00 0.00 H new ATOM 0 HA LYS A 25 4.716 -2.652 9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.279 -0.638 11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.274 -2.066 12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.295 -3.490 11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.283 -2.045 11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.943 -1.515 14.028 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.428 -2.391 14.119 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.673 -4.536 13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.179 -3.640 13.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.825 -4.695 15.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.813 -3.008 16.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.353 -3.876 16.060 1.00 0.00 H new ATOM 216 N ILE A 26 3.646 0.436 9.724 1.00 0.00 N ATOM 217 CA ILE A 26 2.404 1.053 9.330 1.00 0.00 C ATOM 218 C ILE A 26 2.020 0.771 7.881 1.00 0.00 C ATOM 219 O ILE A 26 0.828 0.601 7.674 1.00 0.00 O ATOM 220 CB ILE A 26 2.418 2.569 9.474 1.00 0.00 C ATOM 221 CG1 ILE A 26 1.102 3.241 9.086 1.00 0.00 C ATOM 222 CG2 ILE A 26 3.498 3.295 8.668 1.00 0.00 C ATOM 223 CD1 ILE A 26 -0.122 2.926 9.933 1.00 0.00 C ATOM 0 H ILE A 26 4.414 1.065 9.958 1.00 0.00 H new ATOM 0 HA ILE A 26 1.680 0.605 10.011 1.00 0.00 H new ATOM 0 HB ILE A 26 2.619 2.668 10.541 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.256 4.320 9.105 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.877 2.970 8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.421 4.368 8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.482 2.947 8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.361 3.088 7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.983 3.470 9.545 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.323 1.855 9.897 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.062 3.226 10.964 1.00 0.00 H new ATOM 235 N ILE A 27 2.990 0.728 6.955 1.00 0.00 N ATOM 236 CA ILE A 27 2.704 0.470 5.568 1.00 0.00 C ATOM 237 C ILE A 27 1.937 -0.826 5.449 1.00 0.00 C ATOM 238 O ILE A 27 1.101 -1.015 4.556 1.00 0.00 O ATOM 239 CB ILE A 27 3.840 0.731 4.572 1.00 0.00 C ATOM 240 CG1 ILE A 27 5.066 -0.104 4.959 1.00 0.00 C ATOM 241 CG2 ILE A 27 4.152 2.207 4.408 1.00 0.00 C ATOM 242 CD1 ILE A 27 5.937 -0.452 3.765 1.00 0.00 C ATOM 0 H ILE A 27 3.979 0.872 7.161 1.00 0.00 H new ATOM 0 HA ILE A 27 2.038 1.253 5.206 1.00 0.00 H new ATOM 0 HB ILE A 27 3.511 0.410 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.660 0.446 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.737 -1.023 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.964 2.330 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.266 2.728 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.451 2.625 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.790 -1.044 4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.355 -1.027 3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.292 0.465 3.294 1.00 0.00 H new ATOM 254 N LYS A 28 2.239 -1.810 6.290 1.00 0.00 N ATOM 255 CA LYS A 28 1.685 -3.158 6.262 1.00 0.00 C ATOM 256 C LYS A 28 0.203 -3.180 6.613 1.00 0.00 C ATOM 257 O LYS A 28 -0.553 -4.005 6.090 1.00 0.00 O ATOM 258 CB LYS A 28 2.524 -4.179 7.027 1.00 0.00 C ATOM 259 CG LYS A 28 2.074 -5.534 6.509 1.00 0.00 C ATOM 260 CD LYS A 28 2.854 -6.752 7.003 1.00 0.00 C ATOM 261 CE LYS A 28 2.259 -8.049 6.469 1.00 0.00 C ATOM 262 NZ LYS A 28 0.889 -8.262 6.951 1.00 0.00 N ATOM 0 H LYS A 28 2.910 -1.682 7.047 1.00 0.00 H new ATOM 0 HA LYS A 28 1.745 -3.492 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.589 -4.024 6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.363 -4.095 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.026 -5.670 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.125 -5.516 5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.895 -6.671 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.851 -6.770 8.093 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.261 -8.028 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.885 -8.888 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.630 -9.262 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.832 -8.008 7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.233 -7.667 6.406 1.00 0.00 H new ATOM 276 N THR A 29 -0.170 -2.360 7.590 1.00 0.00 N ATOM 277 CA THR A 29 -1.376 -2.525 8.390 1.00 0.00 C ATOM 278 C THR A 29 -2.578 -2.434 7.479 1.00 0.00 C ATOM 279 O THR A 29 -3.408 -3.336 7.494 1.00 0.00 O ATOM 280 CB THR A 29 -1.551 -1.599 9.601 1.00 0.00 C ATOM 281 OG1 THR A 29 -1.493 -0.268 9.150 1.00 0.00 O ATOM 282 CG2 THR A 29 -0.427 -1.708 10.631 1.00 0.00 C ATOM 0 H THR A 29 0.375 -1.539 7.854 1.00 0.00 H new ATOM 0 HA THR A 29 -1.273 -3.508 8.849 1.00 0.00 H new ATOM 0 HB THR A 29 -2.495 -1.887 10.063 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.619 -0.099 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.622 -1.023 11.456 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.379 -2.729 11.010 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.522 -1.450 10.162 1.00 0.00 H new ATOM 290 N ALA A 30 -2.608 -1.477 6.529 1.00 0.00 N ATOM 291 CA ALA A 30 -3.803 -0.928 5.937 1.00 0.00 C ATOM 292 C ALA A 30 -4.603 -1.818 5.010 1.00 0.00 C ATOM 293 O ALA A 30 -5.742 -2.123 5.399 1.00 0.00 O ATOM 294 CB ALA A 30 -3.351 0.264 5.096 1.00 0.00 C ATOM 0 H ALA A 30 -1.756 -1.062 6.152 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.467 -0.718 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.218 0.723 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.859 0.996 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.654 -0.075 4.330 1.00 0.00 H new ATOM 300 N ARG A 31 -4.160 -2.068 3.780 1.00 0.00 N ATOM 301 CA ARG A 31 -4.950 -2.644 2.709 1.00 0.00 C ATOM 302 C ARG A 31 -5.626 -3.846 3.360 1.00 0.00 C ATOM 303 O ARG A 31 -6.833 -3.975 3.184 1.00 0.00 O ATOM 304 CB ARG A 31 -4.115 -2.992 1.481 1.00 0.00 C ATOM 305 CG ARG A 31 -5.072 -3.355 0.345 1.00 0.00 C ATOM 306 CD ARG A 31 -5.537 -4.809 0.225 1.00 0.00 C ATOM 307 NE ARG A 31 -4.520 -5.839 0.427 1.00 0.00 N ATOM 308 CZ ARG A 31 -4.771 -7.116 0.731 1.00 0.00 C ATOM 309 NH1 ARG A 31 -5.999 -7.644 0.867 1.00 0.00 N ATOM 310 NH2 ARG A 31 -3.724 -7.937 0.807 1.00 0.00 N ATOM 0 H ARG A 31 -3.201 -1.864 3.497 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.682 -1.946 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.488 -2.148 1.195 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.448 -3.826 1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.959 -2.729 0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.592 -3.081 -0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.336 -4.972 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.971 -4.948 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.543 -5.562 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.823 -7.058 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.107 -8.631 1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.783 -7.581 0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.863 -8.921 1.036 1.00 0.00 H new ATOM 324 N GLU A 32 -5.001 -4.734 4.130 1.00 0.00 N ATOM 325 CA GLU A 32 -5.557 -5.867 4.835 1.00 0.00 C ATOM 326 C GLU A 32 -6.704 -5.465 5.762 1.00 0.00 C ATOM 327 O GLU A 32 -7.754 -6.089 5.635 1.00 0.00 O ATOM 328 CB GLU A 32 -4.422 -6.464 5.665 1.00 0.00 C ATOM 329 CG GLU A 32 -3.567 -7.507 4.933 1.00 0.00 C ATOM 330 CD GLU A 32 -2.381 -8.063 5.705 1.00 0.00 C ATOM 331 OE1 GLU A 32 -1.657 -7.327 6.414 1.00 0.00 O ATOM 332 OE2 GLU A 32 -2.047 -9.241 5.475 1.00 0.00 O ATOM 0 H GLU A 32 -3.995 -4.663 4.285 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.966 -6.578 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.773 -5.655 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.847 -6.925 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.211 -8.339 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.196 -7.060 4.010 1.00 0.00 H new ATOM 339 N GLN A 33 -6.575 -4.584 6.752 1.00 0.00 N ATOM 340 CA GLN A 33 -7.581 -4.276 7.751 1.00 0.00 C ATOM 341 C GLN A 33 -8.840 -3.585 7.249 1.00 0.00 C ATOM 342 O GLN A 33 -9.897 -3.583 7.875 1.00 0.00 O ATOM 343 CB GLN A 33 -6.906 -3.592 8.941 1.00 0.00 C ATOM 344 CG GLN A 33 -6.051 -4.616 9.678 1.00 0.00 C ATOM 345 CD GLN A 33 -5.311 -3.977 10.842 1.00 0.00 C ATOM 346 OE1 GLN A 33 -4.080 -3.844 10.867 1.00 0.00 O ATOM 347 NE2 GLN A 33 -6.028 -3.455 11.834 1.00 0.00 N ATOM 0 H GLN A 33 -5.721 -4.042 6.880 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.004 -5.225 8.082 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.288 -2.762 8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.657 -3.175 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.683 -5.425 10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.334 -5.060 8.987 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.043 -3.552 11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.562 -2.958 12.593 1.00 0.00 H new ATOM 356 N LEU A 34 -8.682 -2.922 6.096 1.00 0.00 N ATOM 357 CA LEU A 34 -9.758 -2.236 5.422 1.00 0.00 C ATOM 358 C LEU A 34 -10.743 -3.113 4.661 1.00 0.00 C ATOM 359 O LEU A 34 -11.774 -2.672 4.155 1.00 0.00 O ATOM 360 CB LEU A 34 -9.051 -1.250 4.488 1.00 0.00 C ATOM 361 CG LEU A 34 -8.317 -0.148 5.236 1.00 0.00 C ATOM 362 CD1 LEU A 34 -7.463 0.745 4.339 1.00 0.00 C ATOM 363 CD2 LEU A 34 -9.298 0.687 6.053 1.00 0.00 C ATOM 0 H LEU A 34 -7.787 -2.855 5.611 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.404 -1.766 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.341 -1.794 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.785 -0.801 3.819 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.619 -0.650 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.972 1.506 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.709 0.140 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.098 1.227 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.756 1.471 6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.033 1.140 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.807 0.048 6.774 1.00 0.00 H new ATOM 375 N GLY A 35 -10.325 -4.375 4.779 1.00 0.00 N ATOM 376 CA GLY A 35 -11.008 -5.588 4.360 1.00 0.00 C ATOM 377 C GLY A 35 -11.158 -5.816 2.864 1.00 0.00 C ATOM 378 O GLY A 35 -11.650 -6.814 2.339 1.00 0.00 O ATOM 0 H GLY A 35 -9.423 -4.586 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.473 -6.440 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.004 -5.586 4.804 1.00 0.00 H new ATOM 382 N ILE A 36 -10.647 -4.854 2.078 1.00 0.00 N ATOM 383 CA ILE A 36 -10.639 -4.736 0.639 1.00 0.00 C ATOM 384 C ILE A 36 -9.582 -5.590 -0.050 1.00 0.00 C ATOM 385 O ILE A 36 -8.689 -6.119 0.587 1.00 0.00 O ATOM 386 CB ILE A 36 -10.473 -3.282 0.196 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.330 -2.568 0.894 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.853 -2.644 0.358 1.00 0.00 C ATOM 389 CD1 ILE A 36 -8.855 -1.212 0.393 1.00 0.00 C ATOM 0 H ILE A 36 -10.178 -4.054 2.502 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.613 -5.113 0.328 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.159 -3.205 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.616 -2.445 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.471 -3.238 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.808 -1.597 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.573 -3.171 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.164 -2.709 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.033 -0.861 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.514 -1.304 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.677 -0.498 0.441 1.00 0.00 H new ATOM 401 N SER A 37 -9.783 -5.878 -1.347 1.00 0.00 N ATOM 402 CA SER A 37 -8.867 -6.710 -2.090 1.00 0.00 C ATOM 403 C SER A 37 -7.704 -6.009 -2.798 1.00 0.00 C ATOM 404 O SER A 37 -7.600 -4.788 -2.765 1.00 0.00 O ATOM 405 CB SER A 37 -9.640 -7.556 -3.106 1.00 0.00 C ATOM 406 OG SER A 37 -9.868 -7.067 -4.399 1.00 0.00 O ATOM 0 H SER A 37 -10.578 -5.539 -1.889 1.00 0.00 H new ATOM 0 HA SER A 37 -8.389 -7.316 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.111 -8.504 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.613 -7.779 -2.668 1.00 0.00 H new ATOM 0 HG SER A 37 -10.372 -7.730 -4.916 1.00 0.00 H new ATOM 412 N GLN A 38 -6.745 -6.673 -3.447 1.00 0.00 N ATOM 413 CA GLN A 38 -5.888 -6.037 -4.419 1.00 0.00 C ATOM 414 C GLN A 38 -6.722 -5.380 -5.508 1.00 0.00 C ATOM 415 O GLN A 38 -6.484 -4.200 -5.796 1.00 0.00 O ATOM 416 CB GLN A 38 -4.890 -6.991 -5.068 1.00 0.00 C ATOM 417 CG GLN A 38 -3.962 -7.637 -4.054 1.00 0.00 C ATOM 418 CD GLN A 38 -4.586 -8.852 -3.392 1.00 0.00 C ATOM 419 OE1 GLN A 38 -5.663 -9.339 -3.714 1.00 0.00 O ATOM 420 NE2 GLN A 38 -3.919 -9.392 -2.372 1.00 0.00 N ATOM 0 H GLN A 38 -6.550 -7.664 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.314 -5.291 -3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.432 -7.768 -5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.298 -6.447 -5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.036 -7.931 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.697 -6.906 -3.290 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.020 -9.003 -2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.307 -10.195 -1.877 1.00 0.00 H new ATOM 429 N GLN A 39 -7.670 -6.112 -6.116 1.00 0.00 N ATOM 430 CA GLN A 39 -8.461 -5.797 -7.291 1.00 0.00 C ATOM 431 C GLN A 39 -9.305 -4.549 -7.129 1.00 0.00 C ATOM 432 O GLN A 39 -9.424 -3.701 -8.029 1.00 0.00 O ATOM 433 CB GLN A 39 -9.263 -7.008 -7.744 1.00 0.00 C ATOM 434 CG GLN A 39 -9.336 -7.183 -9.262 1.00 0.00 C ATOM 435 CD GLN A 39 -9.690 -8.581 -9.752 1.00 0.00 C ATOM 436 OE1 GLN A 39 -10.767 -8.847 -10.288 1.00 0.00 O ATOM 437 NE2 GLN A 39 -8.806 -9.560 -9.559 1.00 0.00 N ATOM 0 H GLN A 39 -7.917 -7.031 -5.750 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.764 -5.552 -8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.823 -7.905 -7.307 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -10.276 -6.926 -7.350 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.074 -6.483 -9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.373 -6.902 -9.688 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.909 -9.358 -9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.026 -10.511 -9.854 1.00 0.00 H new ATOM 446 N GLN A 40 -9.994 -4.479 -5.996 1.00 0.00 N ATOM 447 CA GLN A 40 -10.727 -3.262 -5.712 1.00 0.00 C ATOM 448 C GLN A 40 -9.846 -2.020 -5.528 1.00 0.00 C ATOM 449 O GLN A 40 -10.464 -0.986 -5.773 1.00 0.00 O ATOM 450 CB GLN A 40 -11.595 -3.547 -4.494 1.00 0.00 C ATOM 451 CG GLN A 40 -12.627 -4.673 -4.538 1.00 0.00 C ATOM 452 CD GLN A 40 -13.191 -4.865 -3.144 1.00 0.00 C ATOM 453 OE1 GLN A 40 -12.512 -5.301 -2.205 1.00 0.00 O ATOM 454 NE2 GLN A 40 -14.474 -4.506 -3.030 1.00 0.00 N ATOM 0 H GLN A 40 -10.058 -5.214 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.337 -3.002 -6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.925 -3.754 -3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.129 -2.627 -4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.425 -4.428 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.166 -5.596 -4.890 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.979 -4.153 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.948 -4.585 -2.130 1.00 0.00 H new ATOM 463 N LEU A 41 -8.649 -2.138 -4.985 1.00 0.00 N ATOM 464 CA LEU A 41 -7.838 -0.937 -4.761 1.00 0.00 C ATOM 465 C LEU A 41 -7.067 -0.597 -6.027 1.00 0.00 C ATOM 466 O LEU A 41 -6.923 0.591 -6.322 1.00 0.00 O ATOM 467 CB LEU A 41 -7.007 -1.197 -3.524 1.00 0.00 C ATOM 468 CG LEU A 41 -6.324 0.059 -2.976 1.00 0.00 C ATOM 469 CD1 LEU A 41 -7.200 1.241 -2.534 1.00 0.00 C ATOM 470 CD2 LEU A 41 -5.613 -0.310 -1.685 1.00 0.00 C ATOM 0 H LEU A 41 -8.220 -3.017 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.426 -0.040 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.645 -1.622 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.247 -1.943 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.725 0.380 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.565 2.049 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.789 1.594 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.869 0.920 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.119 0.572 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.339 -0.685 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.870 -1.082 -1.887 1.00 0.00 H new ATOM 482 N ALA A 42 -6.757 -1.568 -6.874 1.00 0.00 N ATOM 483 CA ALA A 42 -6.261 -1.477 -8.229 1.00 0.00 C ATOM 484 C ALA A 42 -7.251 -0.811 -9.201 1.00 0.00 C ATOM 485 O ALA A 42 -6.763 -0.427 -10.252 1.00 0.00 O ATOM 486 CB ALA A 42 -5.730 -2.862 -8.580 1.00 0.00 C ATOM 0 H ALA A 42 -6.860 -2.543 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.432 -0.777 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.340 -2.855 -9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.933 -3.132 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.537 -3.591 -8.506 1.00 0.00 H new ATOM 492 N GLN A 43 -8.556 -0.812 -8.942 1.00 0.00 N ATOM 493 CA GLN A 43 -9.464 0.010 -9.731 1.00 0.00 C ATOM 494 C GLN A 43 -9.062 1.440 -9.389 1.00 0.00 C ATOM 495 O GLN A 43 -8.995 2.280 -10.278 1.00 0.00 O ATOM 496 CB GLN A 43 -10.899 -0.251 -9.239 1.00 0.00 C ATOM 497 CG GLN A 43 -11.493 -1.504 -9.835 1.00 0.00 C ATOM 498 CD GLN A 43 -12.988 -1.677 -9.650 1.00 0.00 C ATOM 499 OE1 GLN A 43 -13.443 -2.676 -9.089 1.00 0.00 O ATOM 500 NE2 GLN A 43 -13.856 -0.852 -10.249 1.00 0.00 N ATOM 0 H GLN A 43 -9.000 -1.362 -8.207 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.419 -0.192 -10.801 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.898 -0.334 -8.152 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.528 0.602 -9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.274 -1.515 -10.903 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.989 -2.366 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.519 -0.015 -10.724 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.854 -1.061 -10.230 1.00 0.00 H new ATOM 509 N LYS A 44 -9.081 1.741 -8.091 1.00 0.00 N ATOM 510 CA LYS A 44 -9.162 3.041 -7.477 1.00 0.00 C ATOM 511 C LYS A 44 -7.980 3.940 -7.807 1.00 0.00 C ATOM 512 O LYS A 44 -8.009 5.160 -7.657 1.00 0.00 O ATOM 513 CB LYS A 44 -9.522 2.937 -5.993 1.00 0.00 C ATOM 514 CG LYS A 44 -10.216 4.207 -5.514 1.00 0.00 C ATOM 515 CD LYS A 44 -10.567 3.975 -4.048 1.00 0.00 C ATOM 516 CE LYS A 44 -11.391 5.178 -3.579 1.00 0.00 C ATOM 517 NZ LYS A 44 -11.633 5.186 -2.126 1.00 0.00 N ATOM 0 H LYS A 44 -9.035 1.003 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.998 3.572 -7.933 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.174 2.078 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.619 2.767 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.563 5.073 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.112 4.406 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.134 3.052 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.663 3.872 -3.448 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.874 6.096 -3.860 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.348 5.180 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.195 6.024 -1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.152 4.326 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.723 5.214 -1.623 1.00 0.00 H new ATOM 531 N LEU A 45 -6.934 3.305 -8.329 1.00 0.00 N ATOM 532 CA LEU A 45 -5.588 3.832 -8.429 1.00 0.00 C ATOM 533 C LEU A 45 -5.053 3.625 -9.837 1.00 0.00 C ATOM 534 O LEU A 45 -3.977 4.001 -10.309 1.00 0.00 O ATOM 535 CB LEU A 45 -4.697 3.055 -7.469 1.00 0.00 C ATOM 536 CG LEU A 45 -4.886 3.448 -6.011 1.00 0.00 C ATOM 537 CD1 LEU A 45 -4.008 2.639 -5.060 1.00 0.00 C ATOM 538 CD2 LEU A 45 -4.636 4.937 -5.759 1.00 0.00 C ATOM 0 H LEU A 45 -7.013 2.362 -8.711 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.596 4.896 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.900 1.990 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.655 3.211 -7.747 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.933 3.224 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.186 2.964 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.251 1.580 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.959 2.794 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.786 5.157 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.613 5.187 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.331 5.529 -6.355 1.00 0.00 H new ATOM 550 N LYS A 46 -5.831 2.863 -10.618 1.00 0.00 N ATOM 551 CA LYS A 46 -5.497 2.107 -11.810 1.00 0.00 C ATOM 552 C LYS A 46 -4.399 1.046 -11.806 1.00 0.00 C ATOM 553 O LYS A 46 -4.398 0.224 -12.721 1.00 0.00 O ATOM 554 CB LYS A 46 -5.443 3.052 -13.003 1.00 0.00 C ATOM 555 CG LYS A 46 -6.774 3.720 -13.358 1.00 0.00 C ATOM 556 CD LYS A 46 -6.619 4.804 -14.400 1.00 0.00 C ATOM 557 CE LYS A 46 -7.937 5.280 -15.032 1.00 0.00 C ATOM 558 NZ LYS A 46 -7.554 6.347 -15.987 1.00 0.00 N ATOM 0 H LYS A 46 -6.821 2.757 -10.394 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.325 1.401 -11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.706 3.829 -12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.089 2.497 -13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.469 2.965 -13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.214 4.147 -12.457 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.121 5.659 -13.944 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.964 4.438 -15.191 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.446 4.462 -15.541 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.622 5.659 -14.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.406 6.717 -16.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.078 7.117 -15.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.908 5.957 -16.703 1.00 0.00 H new ATOM 572 N VAL A 47 -3.639 0.858 -10.726 1.00 0.00 N ATOM 573 CA VAL A 47 -2.418 0.064 -10.616 1.00 0.00 C ATOM 574 C VAL A 47 -2.478 -0.855 -9.416 1.00 0.00 C ATOM 575 O VAL A 47 -3.024 -0.513 -8.364 1.00 0.00 O ATOM 576 CB VAL A 47 -1.188 0.951 -10.590 1.00 0.00 C ATOM 577 CG1 VAL A 47 -1.195 1.707 -11.929 1.00 0.00 C ATOM 578 CG2 VAL A 47 -1.103 2.024 -9.510 1.00 0.00 C ATOM 0 H VAL A 47 -3.882 1.292 -9.836 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.340 -0.565 -11.503 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.352 0.280 -10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.330 2.369 -11.978 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.152 0.992 -12.751 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.108 2.297 -12.009 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.170 2.576 -9.619 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.944 2.710 -9.611 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.134 1.554 -8.527 1.00 0.00 H new ATOM 588 N SER A 48 -1.780 -1.995 -9.397 1.00 0.00 N ATOM 589 CA SER A 48 -1.897 -3.060 -8.426 1.00 0.00 C ATOM 590 C SER A 48 -0.689 -3.630 -7.699 1.00 0.00 C ATOM 591 O SER A 48 -0.769 -4.629 -6.971 1.00 0.00 O ATOM 592 CB SER A 48 -2.510 -4.204 -9.223 1.00 0.00 C ATOM 593 OG SER A 48 -1.558 -4.586 -10.181 1.00 0.00 O ATOM 0 H SER A 48 -1.078 -2.200 -10.108 1.00 0.00 H new ATOM 0 HA SER A 48 -2.444 -2.610 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.759 -5.041 -8.570 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.436 -3.888 -9.703 1.00 0.00 H new ATOM 0 HG SER A 48 -1.913 -5.325 -10.718 1.00 0.00 H new ATOM 599 N GLU A 49 0.516 -3.295 -8.145 1.00 0.00 N ATOM 600 CA GLU A 49 1.737 -4.036 -7.911 1.00 0.00 C ATOM 601 C GLU A 49 2.551 -3.422 -6.783 1.00 0.00 C ATOM 602 O GLU A 49 3.332 -4.147 -6.159 1.00 0.00 O ATOM 603 CB GLU A 49 2.614 -4.017 -9.162 1.00 0.00 C ATOM 604 CG GLU A 49 2.060 -4.771 -10.371 1.00 0.00 C ATOM 605 CD GLU A 49 3.102 -4.930 -11.459 1.00 0.00 C ATOM 606 OE1 GLU A 49 3.915 -5.877 -11.376 1.00 0.00 O ATOM 607 OE2 GLU A 49 3.074 -4.095 -12.397 1.00 0.00 O ATOM 0 H GLU A 49 0.669 -2.457 -8.706 1.00 0.00 H new ATOM 0 HA GLU A 49 1.446 -5.053 -7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.782 -2.979 -9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.586 -4.439 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.709 -5.754 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.197 -4.237 -10.769 1.00 0.00 H new ATOM 614 N ASN A 50 2.480 -2.099 -6.574 1.00 0.00 N ATOM 615 CA ASN A 50 3.181 -1.461 -5.481 1.00 0.00 C ATOM 616 C ASN A 50 2.472 -1.010 -4.205 1.00 0.00 C ATOM 617 O ASN A 50 2.857 -1.397 -3.117 1.00 0.00 O ATOM 618 CB ASN A 50 4.080 -0.393 -6.121 1.00 0.00 C ATOM 619 CG ASN A 50 5.102 0.319 -5.253 1.00 0.00 C ATOM 620 OD1 ASN A 50 5.641 -0.308 -4.351 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.361 1.613 -5.434 1.00 0.00 N ATOM 0 H ASN A 50 1.939 -1.460 -7.157 1.00 0.00 H new ATOM 0 HA ASN A 50 3.716 -2.271 -4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.617 -0.864 -6.944 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.431 0.366 -6.557 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.016 2.093 -4.817 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.905 2.124 -6.190 1.00 0.00 H new ATOM 628 N ILE A 51 1.422 -0.186 -4.141 1.00 0.00 N ATOM 629 CA ILE A 51 0.477 0.314 -5.122 1.00 0.00 C ATOM 630 C ILE A 51 -0.057 -0.659 -6.174 1.00 0.00 C ATOM 631 O ILE A 51 0.146 -0.485 -7.364 1.00 0.00 O ATOM 632 CB ILE A 51 0.937 1.665 -5.648 1.00 0.00 C ATOM 633 CG1 ILE A 51 1.900 2.445 -4.754 1.00 0.00 C ATOM 634 CG2 ILE A 51 -0.309 2.539 -5.836 1.00 0.00 C ATOM 635 CD1 ILE A 51 2.326 3.812 -5.287 1.00 0.00 C ATOM 0 H ILE A 51 1.185 0.208 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.453 0.457 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 51 1.486 1.447 -6.564 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.433 2.583 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.793 1.841 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.013 3.518 -6.213 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.983 2.064 -6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.818 2.658 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.008 4.282 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.828 3.688 -6.247 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.446 4.442 -5.416 1.00 0.00 H new ATOM 647 N VAL A 52 -0.580 -1.813 -5.758 1.00 0.00 N ATOM 648 CA VAL A 52 -1.148 -2.153 -4.469 1.00 0.00 C ATOM 649 C VAL A 52 -0.149 -3.023 -3.734 1.00 0.00 C ATOM 650 O VAL A 52 0.023 -2.763 -2.536 1.00 0.00 O ATOM 651 CB VAL A 52 -2.512 -2.812 -4.655 1.00 0.00 C ATOM 652 CG1 VAL A 52 -2.845 -3.545 -3.356 1.00 0.00 C ATOM 653 CG2 VAL A 52 -3.578 -1.769 -5.021 1.00 0.00 C ATOM 0 H VAL A 52 -0.616 -2.613 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.329 -1.265 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.491 -3.523 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.816 -4.030 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.082 -4.297 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.875 -2.831 -2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.541 -2.263 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.652 -1.029 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.298 -1.274 -5.951 1.00 0.00 H new ATOM 663 N LYS A 53 0.500 -3.988 -4.380 1.00 0.00 N ATOM 664 CA LYS A 53 1.027 -5.187 -3.755 1.00 0.00 C ATOM 665 C LYS A 53 2.214 -5.069 -2.827 1.00 0.00 C ATOM 666 O LYS A 53 2.245 -5.778 -1.819 1.00 0.00 O ATOM 667 CB LYS A 53 1.240 -6.265 -4.818 1.00 0.00 C ATOM 668 CG LYS A 53 -0.018 -7.051 -5.173 1.00 0.00 C ATOM 669 CD LYS A 53 0.030 -7.816 -6.502 1.00 0.00 C ATOM 670 CE LYS A 53 1.180 -8.807 -6.643 1.00 0.00 C ATOM 671 NZ LYS A 53 1.284 -9.979 -5.750 1.00 0.00 N ATOM 0 H LYS A 53 0.677 -3.951 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 53 0.248 -5.463 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.629 -5.796 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.002 -6.960 -4.466 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.218 -7.763 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.860 -6.360 -5.203 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.909 -8.355 -6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.093 -7.094 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.153 -9.185 -7.665 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.105 -8.241 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.129 -10.532 -6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.360 -9.658 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.437 -10.573 -5.857 1.00 0.00 H new ATOM 685 N ARG A 54 3.216 -4.232 -3.112 1.00 0.00 N ATOM 686 CA ARG A 54 4.567 -4.339 -2.578 1.00 0.00 C ATOM 687 C ARG A 54 4.747 -3.727 -1.190 1.00 0.00 C ATOM 688 O ARG A 54 5.632 -4.180 -0.468 1.00 0.00 O ATOM 689 CB ARG A 54 5.554 -3.657 -3.516 1.00 0.00 C ATOM 690 CG ARG A 54 7.002 -4.065 -3.256 1.00 0.00 C ATOM 691 CD ARG A 54 7.890 -3.624 -4.417 1.00 0.00 C ATOM 692 NE ARG A 54 7.657 -4.331 -5.681 1.00 0.00 N ATOM 693 CZ ARG A 54 7.355 -3.743 -6.839 1.00 0.00 C ATOM 694 NH1 ARG A 54 7.150 -2.414 -6.887 1.00 0.00 N ATOM 695 NH2 ARG A 54 7.163 -4.382 -8.001 1.00 0.00 N ATOM 0 H ARG A 54 3.100 -3.438 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 54 4.755 -5.409 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.294 -3.898 -4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.462 -2.576 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.354 -3.614 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.066 -5.146 -3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.742 -2.557 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.932 -3.760 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 54 7.732 -5.348 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.226 -1.855 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.919 -1.965 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.245 -5.398 -8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.934 -3.853 -8.842 1.00 0.00 H new ATOM 709 N PHE A 55 3.771 -2.945 -0.710 1.00 0.00 N ATOM 710 CA PHE A 55 3.919 -2.360 0.602 1.00 0.00 C ATOM 711 C PHE A 55 3.564 -3.445 1.599 1.00 0.00 C ATOM 712 O PHE A 55 3.621 -3.247 2.813 1.00 0.00 O ATOM 713 CB PHE A 55 2.899 -1.226 0.780 1.00 0.00 C ATOM 714 CG PHE A 55 2.984 0.073 0.022 1.00 0.00 C ATOM 715 CD1 PHE A 55 3.847 0.316 -1.054 1.00 0.00 C ATOM 716 CD2 PHE A 55 2.134 1.117 0.409 1.00 0.00 C ATOM 717 CE1 PHE A 55 3.785 1.549 -1.721 1.00 0.00 C ATOM 718 CE2 PHE A 55 2.137 2.336 -0.255 1.00 0.00 C ATOM 719 CZ PHE A 55 2.972 2.619 -1.338 1.00 0.00 C ATOM 0 H PHE A 55 2.906 -2.717 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 55 4.929 -1.974 0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.920 -1.651 0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.903 -0.968 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.553 -0.438 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.462 0.970 1.242 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.410 1.680 -2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.459 3.105 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.988 3.578 -1.835 1.00 0.00 H new ATOM 729 N GLU A 56 2.978 -4.571 1.171 1.00 0.00 N ATOM 730 CA GLU A 56 2.491 -5.646 2.017 1.00 0.00 C ATOM 731 C GLU A 56 3.596 -6.657 2.292 1.00 0.00 C ATOM 732 O GLU A 56 3.455 -7.526 3.165 1.00 0.00 O ATOM 733 CB GLU A 56 1.249 -6.236 1.384 1.00 0.00 C ATOM 734 CG GLU A 56 0.197 -5.215 0.963 1.00 0.00 C ATOM 735 CD GLU A 56 -1.237 -5.711 0.937 1.00 0.00 C ATOM 736 OE1 GLU A 56 -1.734 -6.232 1.958 1.00 0.00 O ATOM 737 OE2 GLU A 56 -1.819 -5.766 -0.165 1.00 0.00 O ATOM 0 H GLU A 56 2.828 -4.757 0.179 1.00 0.00 H new ATOM 0 HA GLU A 56 2.203 -5.271 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.544 -6.814 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.796 -6.934 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.254 -4.363 1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.452 -4.849 -0.031 1.00 0.00 H new ATOM 744 N SER A 57 4.769 -6.527 1.670 1.00 0.00 N ATOM 745 CA SER A 57 5.538 -7.672 1.211 1.00 0.00 C ATOM 746 C SER A 57 6.605 -8.324 2.077 1.00 0.00 C ATOM 747 O SER A 57 7.031 -9.429 1.759 1.00 0.00 O ATOM 748 CB SER A 57 6.211 -7.280 -0.089 1.00 0.00 C ATOM 749 OG SER A 57 7.111 -6.206 0.066 1.00 0.00 O ATOM 0 H SER A 57 5.206 -5.627 1.474 1.00 0.00 H new ATOM 0 HA SER A 57 4.768 -8.443 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.745 -8.141 -0.491 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.449 -7.008 -0.820 1.00 0.00 H new ATOM 0 HG SER A 57 6.609 -5.369 0.152 1.00 0.00 H new ATOM 755 N GLY A 58 6.921 -7.726 3.226 1.00 0.00 N ATOM 756 CA GLY A 58 7.864 -8.187 4.232 1.00 0.00 C ATOM 757 C GLY A 58 9.292 -8.123 3.709 1.00 0.00 C ATOM 758 O GLY A 58 10.085 -8.894 4.256 1.00 0.00 O ATOM 0 H GLY A 58 6.489 -6.841 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.773 -7.574 5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.623 -9.211 4.520 1.00 0.00 H new ATOM 762 N LYS A 59 9.634 -7.260 2.754 1.00 0.00 N ATOM 763 CA LYS A 59 10.782 -7.300 1.879 1.00 0.00 C ATOM 764 C LYS A 59 11.644 -6.052 1.731 1.00 0.00 C ATOM 765 O LYS A 59 12.665 -6.097 1.060 1.00 0.00 O ATOM 766 CB LYS A 59 10.181 -7.657 0.518 1.00 0.00 C ATOM 767 CG LYS A 59 11.202 -8.024 -0.561 1.00 0.00 C ATOM 768 CD LYS A 59 10.486 -8.649 -1.762 1.00 0.00 C ATOM 769 CE LYS A 59 11.470 -9.095 -2.829 1.00 0.00 C ATOM 770 NZ LYS A 59 12.427 -10.089 -2.308 1.00 0.00 N ATOM 0 H LYS A 59 9.054 -6.443 2.564 1.00 0.00 H new ATOM 0 HA LYS A 59 11.494 -8.001 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.495 -8.494 0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.589 -6.812 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.749 -7.135 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.935 -8.723 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.896 -9.503 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.790 -7.927 -2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.925 -9.521 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.014 -8.229 -3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.898 -10.567 -3.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.139 -9.610 -1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.919 -10.791 -1.733 1.00 0.00 H new ATOM 784 N LEU A 60 11.325 -4.932 2.381 1.00 0.00 N ATOM 785 CA LEU A 60 11.980 -3.662 2.149 1.00 0.00 C ATOM 786 C LEU A 60 12.374 -2.846 3.372 1.00 0.00 C ATOM 787 O LEU A 60 11.646 -2.773 4.362 1.00 0.00 O ATOM 788 CB LEU A 60 11.219 -2.849 1.109 1.00 0.00 C ATOM 789 CG LEU A 60 12.153 -2.104 0.167 1.00 0.00 C ATOM 790 CD1 LEU A 60 13.006 -2.855 -0.856 1.00 0.00 C ATOM 791 CD2 LEU A 60 11.363 -1.220 -0.791 1.00 0.00 C ATOM 0 H LEU A 60 10.594 -4.890 3.091 1.00 0.00 H new ATOM 0 HA LEU A 60 12.958 -3.934 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.576 -3.513 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.569 -2.134 1.613 1.00 0.00 H new ATOM 0 HG LEU A 60 12.795 -1.656 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.600 -2.142 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.670 -3.547 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.357 -3.412 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.051 -0.697 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.687 -1.838 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.785 -0.492 -0.222 1.00 0.00 H new ATOM 803 N LYS A 61 13.324 -1.940 3.187 1.00 0.00 N ATOM 804 CA LYS A 61 13.418 -0.667 3.902 1.00 0.00 C ATOM 805 C LYS A 61 13.043 0.526 3.050 1.00 0.00 C ATOM 806 O LYS A 61 13.905 0.905 2.253 1.00 0.00 O ATOM 807 CB LYS A 61 14.850 -0.642 4.406 1.00 0.00 C ATOM 808 CG LYS A 61 15.060 -1.633 5.558 1.00 0.00 C ATOM 809 CD LYS A 61 16.530 -1.775 5.920 1.00 0.00 C ATOM 810 CE LYS A 61 16.758 -2.689 7.116 1.00 0.00 C ATOM 811 NZ LYS A 61 18.103 -2.556 7.699 1.00 0.00 N ATOM 0 H LYS A 61 14.078 -2.072 2.513 1.00 0.00 H new ATOM 0 HA LYS A 61 12.701 -0.593 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.529 -0.885 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.101 0.365 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.501 -1.298 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.659 -2.607 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.075 -2.166 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.943 -0.790 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.014 -2.468 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.602 -3.723 6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.196 -3.203 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.817 -2.794 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.247 -1.577 8.020 1.00 0.00 H new ATOM 825 N PRO A 62 11.800 1.013 3.077 1.00 0.00 N ATOM 826 CA PRO A 62 11.430 2.238 2.410 1.00 0.00 C ATOM 827 C PRO A 62 11.919 3.443 3.195 1.00 0.00 C ATOM 828 O PRO A 62 12.137 3.378 4.393 1.00 0.00 O ATOM 829 CB PRO A 62 9.912 2.285 2.209 1.00 0.00 C ATOM 830 CG PRO A 62 9.502 1.484 3.431 1.00 0.00 C ATOM 831 CD PRO A 62 10.636 0.523 3.781 1.00 0.00 C ATOM 0 HA PRO A 62 11.907 2.267 1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.515 3.300 2.215 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.594 1.824 1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.297 2.150 4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.584 0.931 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.811 0.500 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.394 -0.495 3.475 1.00 0.00 H new ATOM 839 N THR A 63 12.159 4.487 2.379 1.00 0.00 N ATOM 840 CA THR A 63 12.411 5.821 2.877 1.00 0.00 C ATOM 841 C THR A 63 11.218 6.656 3.288 1.00 0.00 C ATOM 842 O THR A 63 10.072 6.216 3.133 1.00 0.00 O ATOM 843 CB THR A 63 13.301 6.685 1.983 1.00 0.00 C ATOM 844 OG1 THR A 63 12.660 6.923 0.754 1.00 0.00 O ATOM 845 CG2 THR A 63 14.675 6.045 1.857 1.00 0.00 C ATOM 0 H THR A 63 12.180 4.413 1.362 1.00 0.00 H new ATOM 0 HA THR A 63 12.940 5.551 3.791 1.00 0.00 H new ATOM 0 HB THR A 63 13.463 7.666 2.430 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.235 7.478 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 63 15.307 6.663 1.219 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.129 5.960 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 63 14.575 5.053 1.417 1.00 0.00 H new ATOM 853 N ILE A 64 11.403 7.819 3.903 1.00 0.00 N ATOM 854 CA ILE A 64 10.438 8.819 4.354 1.00 0.00 C ATOM 855 C ILE A 64 9.575 9.162 3.142 1.00 0.00 C ATOM 856 O ILE A 64 8.376 8.893 3.158 1.00 0.00 O ATOM 857 CB ILE A 64 10.961 9.988 5.169 1.00 0.00 C ATOM 858 CG1 ILE A 64 9.850 10.999 5.489 1.00 0.00 C ATOM 859 CG2 ILE A 64 12.086 10.748 4.487 1.00 0.00 C ATOM 860 CD1 ILE A 64 9.069 10.623 6.737 1.00 0.00 C ATOM 0 H ILE A 64 12.352 8.121 4.125 1.00 0.00 H new ATOM 0 HA ILE A 64 9.824 8.386 5.144 1.00 0.00 H new ATOM 0 HB ILE A 64 11.345 9.532 6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 64 10.289 11.988 5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 64 9.167 11.065 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 64 12.410 11.569 5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.924 10.074 4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 64 11.732 11.146 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.295 11.369 6.921 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.606 9.647 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.745 10.584 7.591 1.00 0.00 H new ATOM 872 N SER A 65 10.163 9.690 2.059 1.00 0.00 N ATOM 873 CA SER A 65 9.462 10.051 0.848 1.00 0.00 C ATOM 874 C SER A 65 8.784 8.862 0.179 1.00 0.00 C ATOM 875 O SER A 65 7.842 9.123 -0.578 1.00 0.00 O ATOM 876 CB SER A 65 10.342 10.730 -0.191 1.00 0.00 C ATOM 877 OG SER A 65 11.361 9.840 -0.548 1.00 0.00 O ATOM 0 H SER A 65 11.165 9.877 2.014 1.00 0.00 H new ATOM 0 HA SER A 65 8.710 10.761 1.193 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.754 11.005 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.765 11.651 0.212 1.00 0.00 H new ATOM 0 HG SER A 65 11.940 10.258 -1.219 1.00 0.00 H new ATOM 883 N GLN A 66 9.212 7.624 0.393 1.00 0.00 N ATOM 884 CA GLN A 66 8.616 6.366 -0.058 1.00 0.00 C ATOM 885 C GLN A 66 7.474 5.992 0.871 1.00 0.00 C ATOM 886 O GLN A 66 6.433 5.600 0.336 1.00 0.00 O ATOM 887 CB GLN A 66 9.674 5.283 -0.159 1.00 0.00 C ATOM 888 CG GLN A 66 10.518 5.062 -1.411 1.00 0.00 C ATOM 889 CD GLN A 66 11.508 3.902 -1.320 1.00 0.00 C ATOM 890 OE1 GLN A 66 12.714 4.135 -1.396 1.00 0.00 O ATOM 891 NE2 GLN A 66 11.071 2.689 -0.975 1.00 0.00 N ATOM 0 H GLN A 66 10.060 7.457 0.934 1.00 0.00 H new ATOM 0 HA GLN A 66 8.202 6.484 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.373 5.456 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.171 4.338 0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.851 4.887 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.071 5.977 -1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.069 2.506 -0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.739 1.945 -0.772 1.00 0.00 H new ATOM 900 N ALA A 67 7.545 6.021 2.211 1.00 0.00 N ATOM 901 CA ALA A 67 6.501 5.864 3.208 1.00 0.00 C ATOM 902 C ALA A 67 5.380 6.891 3.134 1.00 0.00 C ATOM 903 O ALA A 67 4.205 6.529 3.187 1.00 0.00 O ATOM 904 CB ALA A 67 7.123 5.890 4.601 1.00 0.00 C ATOM 0 H ALA A 67 8.446 6.174 2.663 1.00 0.00 H new ATOM 0 HA ALA A 67 6.032 4.903 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.341 5.772 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.841 5.075 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.632 6.841 4.754 1.00 0.00 H new ATOM 910 N ARG A 68 5.689 8.178 2.912 1.00 0.00 N ATOM 911 CA ARG A 68 4.768 9.282 2.719 1.00 0.00 C ATOM 912 C ARG A 68 3.716 9.030 1.645 1.00 0.00 C ATOM 913 O ARG A 68 2.700 9.704 1.687 1.00 0.00 O ATOM 914 CB ARG A 68 5.532 10.580 2.418 1.00 0.00 C ATOM 915 CG ARG A 68 6.313 11.284 3.508 1.00 0.00 C ATOM 916 CD ARG A 68 5.434 11.825 4.634 1.00 0.00 C ATOM 917 NE ARG A 68 4.510 12.854 4.185 1.00 0.00 N ATOM 918 CZ ARG A 68 3.182 12.894 4.401 1.00 0.00 C ATOM 919 NH1 ARG A 68 2.719 12.165 5.421 1.00 0.00 N ATOM 920 NH2 ARG A 68 2.294 13.519 3.613 1.00 0.00 N ATOM 0 H ARG A 68 6.661 8.484 2.861 1.00 0.00 H new ATOM 0 HA ARG A 68 4.226 9.382 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.232 10.361 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.809 11.296 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.042 10.591 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.874 12.108 3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.869 11.003 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.069 12.232 5.421 1.00 0.00 H new ATOM 0 HE ARG A 68 4.910 13.626 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.364 11.616 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.721 12.158 5.631 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.611 14.012 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.302 13.501 3.849 1.00 0.00 H new ATOM 934 N GLN A 69 3.936 8.128 0.696 1.00 0.00 N ATOM 935 CA GLN A 69 3.026 7.773 -0.360 1.00 0.00 C ATOM 936 C GLN A 69 1.785 7.084 0.187 1.00 0.00 C ATOM 937 O GLN A 69 0.815 6.841 -0.522 1.00 0.00 O ATOM 938 CB GLN A 69 3.761 6.824 -1.301 1.00 0.00 C ATOM 939 CG GLN A 69 4.804 7.554 -2.132 1.00 0.00 C ATOM 940 CD GLN A 69 5.258 6.790 -3.357 1.00 0.00 C ATOM 941 OE1 GLN A 69 6.407 6.362 -3.446 1.00 0.00 O ATOM 942 NE2 GLN A 69 4.386 6.408 -4.291 1.00 0.00 N ATOM 0 H GLN A 69 4.808 7.600 0.650 1.00 0.00 H new ATOM 0 HA GLN A 69 2.701 8.675 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.243 6.037 -0.721 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.043 6.338 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.396 8.515 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.671 7.765 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.422 6.740 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.683 5.784 -5.041 1.00 0.00 H new ATOM 951 N LEU A 70 1.692 6.621 1.445 1.00 0.00 N ATOM 952 CA LEU A 70 0.561 5.889 1.942 1.00 0.00 C ATOM 953 C LEU A 70 -0.557 6.860 2.295 1.00 0.00 C ATOM 954 O LEU A 70 -1.685 6.612 1.853 1.00 0.00 O ATOM 955 CB LEU A 70 0.962 5.040 3.138 1.00 0.00 C ATOM 956 CG LEU A 70 -0.119 4.130 3.741 1.00 0.00 C ATOM 957 CD1 LEU A 70 -0.283 2.760 3.074 1.00 0.00 C ATOM 958 CD2 LEU A 70 0.046 3.927 5.243 1.00 0.00 C ATOM 0 H LEU A 70 2.425 6.758 2.141 1.00 0.00 H new ATOM 0 HA LEU A 70 0.197 5.212 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.805 4.415 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.319 5.707 3.922 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.030 4.692 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.071 2.202 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.548 2.895 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.654 2.207 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.747 3.276 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.015 3.469 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.012 4.891 5.749 1.00 0.00 H new ATOM 970 N GLU A 71 -0.215 7.893 3.054 1.00 0.00 N ATOM 971 CA GLU A 71 -1.147 8.971 3.338 1.00 0.00 C ATOM 972 C GLU A 71 -1.730 9.445 2.023 1.00 0.00 C ATOM 973 O GLU A 71 -2.790 10.076 1.946 1.00 0.00 O ATOM 974 CB GLU A 71 -0.449 10.008 4.197 1.00 0.00 C ATOM 975 CG GLU A 71 -1.285 11.213 4.614 1.00 0.00 C ATOM 976 CD GLU A 71 -0.403 12.384 5.006 1.00 0.00 C ATOM 977 OE1 GLU A 71 0.122 12.385 6.146 1.00 0.00 O ATOM 978 OE2 GLU A 71 -0.400 13.357 4.212 1.00 0.00 O ATOM 0 H GLU A 71 0.703 8.005 3.484 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.007 8.665 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.084 9.516 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.425 10.369 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.940 11.506 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.927 10.941 5.452 1.00 0.00 H new ATOM 985 N LYS A 72 -0.994 9.381 0.911 1.00 0.00 N ATOM 986 CA LYS A 72 -1.212 9.905 -0.424 1.00 0.00 C ATOM 987 C LYS A 72 -2.364 9.107 -1.028 1.00 0.00 C ATOM 988 O LYS A 72 -3.366 9.672 -1.491 1.00 0.00 O ATOM 989 CB LYS A 72 0.149 9.923 -1.106 1.00 0.00 C ATOM 990 CG LYS A 72 0.327 11.212 -1.915 1.00 0.00 C ATOM 991 CD LYS A 72 1.592 11.317 -2.747 1.00 0.00 C ATOM 992 CE LYS A 72 1.753 12.715 -3.339 1.00 0.00 C ATOM 993 NZ LYS A 72 2.449 13.566 -2.359 1.00 0.00 N ATOM 0 H LYS A 72 -0.103 8.886 0.942 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.554 10.936 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.938 9.844 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.245 9.058 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.530 11.319 -2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.301 12.055 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.457 11.080 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.563 10.581 -3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.320 12.668 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.778 13.137 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.565 14.522 -2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.890 13.616 -1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.384 13.161 -2.150 1.00 0.00 H new ATOM 1007 N ILE A 73 -2.330 7.782 -1.080 1.00 0.00 N ATOM 1008 CA ILE A 73 -3.255 6.955 -1.828 1.00 0.00 C ATOM 1009 C ILE A 73 -4.544 6.834 -1.018 1.00 0.00 C ATOM 1010 O ILE A 73 -5.600 6.927 -1.626 1.00 0.00 O ATOM 1011 CB ILE A 73 -2.635 5.611 -2.202 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -2.105 4.829 -0.996 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -1.572 5.868 -3.252 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -1.440 3.509 -1.359 1.00 0.00 C ATOM 0 H ILE A 73 -1.627 7.237 -0.581 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.494 7.419 -2.785 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.408 4.961 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.388 5.450 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.931 4.632 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.110 4.924 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.029 6.330 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.812 6.535 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.092 3.016 -0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.159 2.867 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.592 3.698 -2.018 1.00 0.00 H new ATOM 1026 N LEU A 74 -4.413 6.686 0.311 1.00 0.00 N ATOM 1027 CA LEU A 74 -5.450 6.460 1.291 1.00 0.00 C ATOM 1028 C LEU A 74 -6.160 7.725 1.744 1.00 0.00 C ATOM 1029 O LEU A 74 -7.201 7.637 2.392 1.00 0.00 O ATOM 1030 CB LEU A 74 -4.811 5.758 2.493 1.00 0.00 C ATOM 1031 CG LEU A 74 -4.419 4.295 2.327 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -3.937 3.566 3.571 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -5.511 3.395 1.740 1.00 0.00 C ATOM 0 H LEU A 74 -3.493 6.728 0.749 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.221 5.847 0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.917 6.316 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.505 5.827 3.331 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.588 4.431 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.691 2.535 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.051 4.064 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.723 3.575 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.137 2.374 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.385 3.412 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.788 3.758 0.750 1.00 0.00 H new ATOM 1045 N GLY A 75 -5.524 8.842 1.382 1.00 0.00 N ATOM 1046 CA GLY A 75 -5.769 10.193 1.859 1.00 0.00 C ATOM 1047 C GLY A 75 -5.404 10.525 3.296 1.00 0.00 C ATOM 1048 O GLY A 75 -5.906 11.566 3.714 1.00 0.00 O ATOM 0 H GLY A 75 -4.769 8.817 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.224 10.879 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.830 10.405 1.728 1.00 0.00 H new ATOM 1052 N ILE A 76 -4.801 9.584 4.019 1.00 0.00 N ATOM 1053 CA ILE A 76 -4.685 9.508 5.469 1.00 0.00 C ATOM 1054 C ILE A 76 -3.744 8.369 5.832 1.00 0.00 C ATOM 1055 O ILE A 76 -3.898 7.227 5.381 1.00 0.00 O ATOM 1056 CB ILE A 76 -5.983 9.313 6.237 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -6.827 8.287 5.496 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -6.726 10.643 6.380 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -8.022 7.882 6.345 1.00 0.00 C ATOM 0 H ILE A 76 -4.345 8.792 3.567 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.311 10.487 5.768 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.774 8.951 7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.169 8.702 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.224 7.410 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.652 10.485 6.932 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.099 11.354 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.956 11.039 5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.620 7.147 5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.672 7.448 7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.632 8.760 6.557 1.00 0.00 H new ATOM 1071 N LYS A 77 -2.810 8.557 6.766 1.00 0.00 N ATOM 1072 CA LYS A 77 -2.131 7.341 7.182 1.00 0.00 C ATOM 1073 C LYS A 77 -2.991 6.324 7.899 1.00 0.00 C ATOM 1074 O LYS A 77 -3.708 6.765 8.796 1.00 0.00 O ATOM 1075 CB LYS A 77 -0.910 7.804 7.977 1.00 0.00 C ATOM 1076 CG LYS A 77 -1.127 8.652 9.222 1.00 0.00 C ATOM 1077 CD LYS A 77 0.072 8.650 10.164 1.00 0.00 C ATOM 1078 CE LYS A 77 0.021 9.778 11.184 1.00 0.00 C ATOM 1079 NZ LYS A 77 1.163 9.722 12.106 1.00 0.00 N ATOM 0 H LYS A 77 -2.531 9.435 7.204 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.838 6.763 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.353 6.916 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.269 8.369 7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.344 9.677 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.002 8.284 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.116 7.695 10.687 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.988 8.736 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.016 10.738 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.908 9.716 11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.097 10.505 12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.153 8.816 12.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.049 9.806 11.567 1.00 0.00 H new ATOM 1093 N LEU A 78 -3.032 5.021 7.587 1.00 0.00 N ATOM 1094 CA LEU A 78 -3.914 4.035 8.148 1.00 0.00 C ATOM 1095 C LEU A 78 -3.182 2.733 8.415 1.00 0.00 C ATOM 1096 O LEU A 78 -2.278 2.373 7.656 1.00 0.00 O ATOM 1097 CB LEU A 78 -5.152 3.743 7.307 1.00 0.00 C ATOM 1098 CG LEU A 78 -6.359 4.629 7.613 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -7.428 4.402 6.544 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -6.982 4.390 8.981 1.00 0.00 C ATOM 0 H LEU A 78 -2.403 4.621 6.891 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.261 4.478 9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.894 3.856 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.437 2.701 7.455 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.990 5.655 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.293 5.031 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.024 4.658 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.731 3.355 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.831 5.060 9.116 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.320 3.356 9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.241 4.583 9.757 1.00 0.00 H new