USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 419 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 64 LYS NZ :NH3+ -178:sc= -0.756 (180deg=-0.574) USER MOD Set 1.2: A 81 ASN : amide:sc= -8.08! C(o=-8.8!,f=-4.5!) USER MOD Set 2.1: A 18 TYR OH : rot -72:sc= 0.26 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.0702 K(o=0.19,f=-2) USER MOD Single : A 11 TYR OH : rot -168:sc= 0.25 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -6.55! K(o=-6.5!,f=-2) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -6.7! K(o=-6.7!,f=-0.74) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -7.46! K(o=-7.5!,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 51 SER OG : rot 89:sc= 1.01 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -7.82! C(o=-7.8!,f=-7.6!) USER MOD Single : A 78 ASN : amide:sc= 0.0149 K(o=0.015,f=-2.6!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0768 USER MOD ----------------------------------------------------------------- ATOM 151 N TYR A 11 -19.612 1.499 0.311 1.00 0.00 N ATOM 152 CA TYR A 11 -18.472 1.019 1.083 1.00 0.00 C ATOM 153 C TYR A 11 -17.214 1.817 0.756 1.00 0.00 C ATOM 154 O TYR A 11 -16.730 1.799 -0.375 1.00 0.00 O ATOM 155 CB TYR A 11 -18.230 -0.471 0.804 1.00 0.00 C ATOM 156 CG TYR A 11 -16.899 -0.975 1.318 1.00 0.00 C ATOM 157 CD1 TYR A 11 -16.710 -1.245 2.668 1.00 0.00 C ATOM 158 CD2 TYR A 11 -15.828 -1.172 0.453 1.00 0.00 C ATOM 159 CE1 TYR A 11 -15.492 -1.698 3.141 1.00 0.00 C ATOM 160 CE2 TYR A 11 -14.607 -1.624 0.919 1.00 0.00 C ATOM 161 CZ TYR A 11 -14.446 -1.885 2.263 1.00 0.00 C ATOM 162 OH TYR A 11 -13.232 -2.333 2.732 1.00 0.00 O ATOM 0 HA TYR A 11 -18.701 1.154 2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -19.030 -1.052 1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.284 -0.644 -0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -17.527 -1.099 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -15.952 -0.969 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.361 -1.904 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.785 -1.772 0.234 1.00 0.00 H new ATOM 0 HH TYR A 11 -12.553 -2.230 2.033 1.00 0.00 H new ATOM 172 N THR A 12 -16.690 2.515 1.759 1.00 0.00 N ATOM 173 CA THR A 12 -15.481 3.311 1.587 1.00 0.00 C ATOM 174 C THR A 12 -14.328 2.728 2.399 1.00 0.00 C ATOM 175 O THR A 12 -14.428 2.609 3.620 1.00 0.00 O ATOM 176 CB THR A 12 -15.695 4.773 2.023 1.00 0.00 C ATOM 177 OG1 THR A 12 -16.478 5.468 1.045 1.00 0.00 O ATOM 178 CG2 THR A 12 -14.359 5.484 2.217 1.00 0.00 C ATOM 0 H THR A 12 -17.084 2.545 2.699 1.00 0.00 H new ATOM 0 HA THR A 12 -15.239 3.287 0.525 1.00 0.00 H new ATOM 0 HB THR A 12 -16.226 4.771 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 12 -16.610 6.396 1.331 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.537 6.515 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.782 4.970 2.986 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.803 5.476 1.279 1.00 0.00 H new ATOM 186 N PRO A 13 -13.216 2.357 1.742 1.00 0.00 N ATOM 187 CA PRO A 13 -12.063 1.812 2.418 1.00 0.00 C ATOM 188 C PRO A 13 -11.019 2.882 2.707 1.00 0.00 C ATOM 189 O PRO A 13 -10.341 3.370 1.803 1.00 0.00 O ATOM 190 CB PRO A 13 -11.544 0.803 1.404 1.00 0.00 C ATOM 191 CG PRO A 13 -11.941 1.344 0.062 1.00 0.00 C ATOM 192 CD PRO A 13 -12.987 2.414 0.295 1.00 0.00 C ATOM 0 HA PRO A 13 -12.298 1.382 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.462 0.693 1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.977 -0.183 1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.076 1.759 -0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.339 0.550 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.633 3.396 -0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.900 2.212 -0.265 1.00 0.00 H new ATOM 200 N CYS A 14 -10.913 3.239 3.978 1.00 0.00 N ATOM 201 CA CYS A 14 -9.959 4.246 4.437 1.00 0.00 C ATOM 202 C CYS A 14 -10.338 5.628 3.927 1.00 0.00 C ATOM 203 O CYS A 14 -10.997 5.766 2.895 1.00 0.00 O ATOM 204 CB CYS A 14 -8.531 3.882 4.017 1.00 0.00 C ATOM 205 SG CYS A 14 -7.642 5.176 3.095 1.00 0.00 S ATOM 0 H CYS A 14 -11.485 2.841 4.723 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.994 4.267 5.526 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.958 3.636 4.911 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.568 2.981 3.404 1.00 0.00 H new ATOM 210 N SER A 15 -9.913 6.648 4.660 1.00 0.00 N ATOM 211 CA SER A 15 -10.224 8.029 4.300 1.00 0.00 C ATOM 212 C SER A 15 -9.439 9.023 5.149 1.00 0.00 C ATOM 213 O SER A 15 -8.890 8.667 6.191 1.00 0.00 O ATOM 214 CB SER A 15 -11.724 8.290 4.456 1.00 0.00 C ATOM 215 OG SER A 15 -12.141 8.079 5.794 1.00 0.00 O ATOM 0 H SER A 15 -9.353 6.548 5.506 1.00 0.00 H new ATOM 0 HA SER A 15 -9.934 8.171 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.951 9.313 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.282 7.632 3.790 1.00 0.00 H new ATOM 0 HG SER A 15 -13.102 8.254 5.868 1.00 0.00 H new ATOM 221 N GLY A 16 -9.398 10.273 4.693 1.00 0.00 N ATOM 222 CA GLY A 16 -8.687 11.313 5.415 1.00 0.00 C ATOM 223 C GLY A 16 -7.182 11.152 5.349 1.00 0.00 C ATOM 224 O GLY A 16 -6.504 11.874 4.617 1.00 0.00 O ATOM 0 H GLY A 16 -9.847 10.584 3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.962 12.285 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.003 11.305 6.458 1.00 0.00 H new ATOM 228 N LEU A 17 -6.661 10.203 6.117 1.00 0.00 N ATOM 229 CA LEU A 17 -5.227 9.943 6.158 1.00 0.00 C ATOM 230 C LEU A 17 -4.678 9.619 4.769 1.00 0.00 C ATOM 231 O LEU A 17 -3.640 10.146 4.370 1.00 0.00 O ATOM 232 CB LEU A 17 -4.930 8.787 7.120 1.00 0.00 C ATOM 233 CG LEU A 17 -5.375 9.012 8.568 1.00 0.00 C ATOM 234 CD1 LEU A 17 -5.219 7.736 9.378 1.00 0.00 C ATOM 235 CD2 LEU A 17 -4.579 10.143 9.204 1.00 0.00 C ATOM 0 H LEU A 17 -7.214 9.597 6.723 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.733 10.847 6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.417 7.888 6.743 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.857 8.596 7.112 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.428 9.292 8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.540 7.915 10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.831 6.949 8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.174 7.428 9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.910 10.287 10.232 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.519 9.891 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.738 11.062 8.639 1.00 0.00 H new ATOM 247 N TYR A 18 -5.375 8.753 4.036 1.00 0.00 N ATOM 248 CA TYR A 18 -4.933 8.364 2.699 1.00 0.00 C ATOM 249 C TYR A 18 -6.061 8.504 1.686 1.00 0.00 C ATOM 250 O TYR A 18 -5.858 8.979 0.568 1.00 0.00 O ATOM 251 CB TYR A 18 -4.429 6.917 2.728 1.00 0.00 C ATOM 252 CG TYR A 18 -3.575 6.609 3.941 1.00 0.00 C ATOM 253 CD1 TYR A 18 -2.266 7.068 4.040 1.00 0.00 C ATOM 254 CD2 TYR A 18 -4.088 5.864 4.996 1.00 0.00 C ATOM 255 CE1 TYR A 18 -1.497 6.788 5.151 1.00 0.00 C ATOM 256 CE2 TYR A 18 -3.324 5.584 6.111 1.00 0.00 C ATOM 257 CZ TYR A 18 -2.028 6.048 6.183 1.00 0.00 C ATOM 258 OH TYR A 18 -1.263 5.776 7.292 1.00 0.00 O ATOM 0 H TYR A 18 -6.241 8.310 4.342 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.124 9.028 2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -5.284 6.241 2.712 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.851 6.722 1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.845 7.652 3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.103 5.498 4.943 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.481 7.149 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.739 5.005 6.922 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.570 5.123 7.059 1.00 0.00 H new ATOM 268 N GLY A 19 -7.247 8.083 2.094 1.00 0.00 N ATOM 269 CA GLY A 19 -8.422 8.177 1.245 1.00 0.00 C ATOM 270 C GLY A 19 -8.306 7.435 -0.076 1.00 0.00 C ATOM 271 O GLY A 19 -9.220 7.506 -0.897 1.00 0.00 O ATOM 0 H GLY A 19 -7.421 7.672 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.281 7.788 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.623 9.228 1.040 1.00 0.00 H new ATOM 275 N THR A 20 -7.203 6.723 -0.299 1.00 0.00 N ATOM 276 CA THR A 20 -7.035 5.999 -1.557 1.00 0.00 C ATOM 277 C THR A 20 -6.618 4.545 -1.348 1.00 0.00 C ATOM 278 O THR A 20 -5.443 4.251 -1.128 1.00 0.00 O ATOM 279 CB THR A 20 -5.998 6.689 -2.463 1.00 0.00 C ATOM 280 OG1 THR A 20 -6.386 8.047 -2.706 1.00 0.00 O ATOM 281 CG2 THR A 20 -5.857 5.954 -3.788 1.00 0.00 C ATOM 0 H THR A 20 -6.428 6.632 0.358 1.00 0.00 H new ATOM 0 HA THR A 20 -8.013 6.009 -2.039 1.00 0.00 H new ATOM 0 HB THR A 20 -5.035 6.670 -1.952 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.721 8.479 -3.281 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.119 6.462 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.533 4.930 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.818 5.943 -4.302 1.00 0.00 H new ATOM 289 N ALA A 21 -7.592 3.639 -1.418 1.00 0.00 N ATOM 290 CA ALA A 21 -7.323 2.211 -1.276 1.00 0.00 C ATOM 291 C ALA A 21 -6.599 1.687 -2.518 1.00 0.00 C ATOM 292 O ALA A 21 -6.808 2.201 -3.617 1.00 0.00 O ATOM 293 CB ALA A 21 -8.628 1.456 -1.056 1.00 0.00 C ATOM 0 H ALA A 21 -8.574 3.869 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.680 2.052 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.419 0.391 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.112 1.822 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.288 1.614 -1.909 1.00 0.00 H new ATOM 299 N GLN A 22 -5.754 0.664 -2.352 1.00 0.00 N ATOM 300 CA GLN A 22 -5.009 0.106 -3.479 1.00 0.00 C ATOM 301 C GLN A 22 -4.207 -1.118 -3.047 1.00 0.00 C ATOM 302 O GLN A 22 -4.208 -1.486 -1.876 1.00 0.00 O ATOM 303 CB GLN A 22 -4.079 1.166 -4.098 1.00 0.00 C ATOM 304 CG GLN A 22 -3.222 1.918 -3.088 1.00 0.00 C ATOM 305 CD GLN A 22 -2.232 2.863 -3.743 1.00 0.00 C ATOM 306 OE1 GLN A 22 -1.863 3.886 -3.167 1.00 0.00 O ATOM 307 NE2 GLN A 22 -1.801 2.529 -4.953 1.00 0.00 N ATOM 0 H GLN A 22 -5.572 0.211 -1.456 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.729 -0.205 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.424 0.680 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.684 1.885 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.870 2.485 -2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.679 1.200 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.133 1.671 -5.394 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.138 3.130 -5.442 1.00 0.00 H new ATOM 316 N CYS A 23 -3.525 -1.749 -3.999 1.00 0.00 N ATOM 317 CA CYS A 23 -2.734 -2.941 -3.705 1.00 0.00 C ATOM 318 C CYS A 23 -1.248 -2.603 -3.607 1.00 0.00 C ATOM 319 O CYS A 23 -0.654 -2.110 -4.566 1.00 0.00 O ATOM 320 CB CYS A 23 -2.951 -4.003 -4.785 1.00 0.00 C ATOM 321 SG CYS A 23 -4.700 -4.410 -5.101 1.00 0.00 S ATOM 0 H CYS A 23 -3.504 -1.457 -4.976 1.00 0.00 H new ATOM 0 HA CYS A 23 -3.065 -3.333 -2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.498 -3.657 -5.714 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.426 -4.913 -4.494 1.00 0.00 H new ATOM 326 N CYS A 24 -0.651 -2.876 -2.447 1.00 0.00 N ATOM 327 CA CYS A 24 0.771 -2.603 -2.239 1.00 0.00 C ATOM 328 C CYS A 24 1.576 -3.898 -2.251 1.00 0.00 C ATOM 329 O CYS A 24 1.482 -4.708 -1.330 1.00 0.00 O ATOM 330 CB CYS A 24 0.994 -1.861 -0.915 1.00 0.00 C ATOM 331 SG CYS A 24 0.287 -0.183 -0.882 1.00 0.00 S ATOM 0 H CYS A 24 -1.126 -3.283 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 24 1.114 -1.969 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.557 -2.445 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.065 -1.798 -0.721 1.00 0.00 H new ATOM 336 N ALA A 25 2.369 -4.083 -3.303 1.00 0.00 N ATOM 337 CA ALA A 25 3.187 -5.281 -3.437 1.00 0.00 C ATOM 338 C ALA A 25 4.540 -5.093 -2.766 1.00 0.00 C ATOM 339 O ALA A 25 5.354 -4.281 -3.205 1.00 0.00 O ATOM 340 CB ALA A 25 3.363 -5.640 -4.906 1.00 0.00 C ATOM 0 H ALA A 25 2.461 -3.420 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 25 2.674 -6.103 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.976 -6.537 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.387 -5.824 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.852 -4.816 -5.426 1.00 0.00 H new ATOM 346 N THR A 26 4.774 -5.849 -1.699 1.00 0.00 N ATOM 347 CA THR A 26 6.027 -5.759 -0.961 1.00 0.00 C ATOM 348 C THR A 26 7.173 -6.393 -1.738 1.00 0.00 C ATOM 349 O THR A 26 6.956 -7.174 -2.665 1.00 0.00 O ATOM 350 CB THR A 26 5.931 -6.446 0.413 1.00 0.00 C ATOM 351 OG1 THR A 26 5.785 -7.861 0.242 1.00 0.00 O ATOM 352 CG2 THR A 26 4.754 -5.907 1.214 1.00 0.00 C ATOM 0 H THR A 26 4.113 -6.530 -1.327 1.00 0.00 H new ATOM 0 HA THR A 26 6.222 -4.696 -0.818 1.00 0.00 H new ATOM 0 HB THR A 26 6.849 -6.235 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.726 -8.292 1.120 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.710 -6.410 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.879 -4.835 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.828 -6.089 0.668 1.00 0.00 H new ATOM 360 N ASP A 27 8.394 -6.049 -1.348 1.00 0.00 N ATOM 361 CA ASP A 27 9.588 -6.585 -1.989 1.00 0.00 C ATOM 362 C ASP A 27 9.967 -7.936 -1.386 1.00 0.00 C ATOM 363 O ASP A 27 9.249 -8.466 -0.538 1.00 0.00 O ATOM 364 CB ASP A 27 10.744 -5.596 -1.845 1.00 0.00 C ATOM 365 CG ASP A 27 10.806 -4.607 -2.992 1.00 0.00 C ATOM 366 OD1 ASP A 27 11.476 -4.908 -4.002 1.00 0.00 O ATOM 367 OD2 ASP A 27 10.186 -3.529 -2.878 1.00 0.00 O ATOM 0 H ASP A 27 8.584 -5.397 -0.586 1.00 0.00 H new ATOM 0 HA ASP A 27 9.377 -6.734 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.639 -5.053 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.684 -6.145 -1.792 1.00 0.00 H new ATOM 440 N ASP A 33 10.035 -0.698 0.541 1.00 0.00 N ATOM 441 CA ASP A 33 8.852 -0.038 0.005 1.00 0.00 C ATOM 442 C ASP A 33 7.989 -1.040 -0.758 1.00 0.00 C ATOM 443 O ASP A 33 8.474 -2.093 -1.175 1.00 0.00 O ATOM 444 CB ASP A 33 9.259 1.110 -0.923 1.00 0.00 C ATOM 445 CG ASP A 33 10.169 2.113 -0.242 1.00 0.00 C ATOM 446 OD1 ASP A 33 11.400 1.899 -0.251 1.00 0.00 O ATOM 447 OD2 ASP A 33 9.653 3.115 0.297 1.00 0.00 O ATOM 0 HA ASP A 33 8.275 0.367 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.764 0.703 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.364 1.620 -1.279 1.00 0.00 H new ATOM 452 N LEU A 34 6.711 -0.714 -0.942 1.00 0.00 N ATOM 453 CA LEU A 34 5.800 -1.601 -1.661 1.00 0.00 C ATOM 454 C LEU A 34 5.177 -0.870 -2.845 1.00 0.00 C ATOM 455 O LEU A 34 4.708 0.260 -2.708 1.00 0.00 O ATOM 456 CB LEU A 34 4.680 -2.136 -0.748 1.00 0.00 C ATOM 457 CG LEU A 34 4.854 -1.917 0.757 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.595 -2.351 1.505 1.00 0.00 C ATOM 459 CD2 LEU A 34 6.064 -2.691 1.264 1.00 0.00 C ATOM 0 H LEU A 34 6.286 0.150 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 34 6.387 -2.449 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.742 -1.672 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.578 -3.207 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 34 5.017 -0.855 0.939 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.733 -2.190 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.745 -1.765 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.408 -3.409 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.178 -2.527 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.922 -3.755 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.959 -2.346 0.747 1.00 0.00 H new ATOM 471 N ASP A 35 5.175 -1.515 -4.007 1.00 0.00 N ATOM 472 CA ASP A 35 4.599 -0.917 -5.204 1.00 0.00 C ATOM 473 C ASP A 35 3.084 -0.836 -5.072 1.00 0.00 C ATOM 474 O ASP A 35 2.377 -1.819 -5.294 1.00 0.00 O ATOM 475 CB ASP A 35 4.976 -1.731 -6.443 1.00 0.00 C ATOM 476 CG ASP A 35 6.472 -1.762 -6.682 1.00 0.00 C ATOM 477 OD1 ASP A 35 7.150 -2.631 -6.096 1.00 0.00 O ATOM 478 OD2 ASP A 35 6.967 -0.915 -7.456 1.00 0.00 O ATOM 0 H ASP A 35 5.564 -2.448 -4.144 1.00 0.00 H new ATOM 0 HA ASP A 35 4.999 0.091 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.608 -2.751 -6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.480 -1.308 -7.317 1.00 0.00 H new ATOM 483 N CYS A 36 2.591 0.344 -4.712 1.00 0.00 N ATOM 484 CA CYS A 36 1.161 0.551 -4.540 1.00 0.00 C ATOM 485 C CYS A 36 0.527 1.122 -5.801 1.00 0.00 C ATOM 486 O CYS A 36 0.755 2.278 -6.155 1.00 0.00 O ATOM 487 CB CYS A 36 0.900 1.480 -3.353 1.00 0.00 C ATOM 488 SG CYS A 36 1.698 0.952 -1.802 1.00 0.00 S ATOM 0 H CYS A 36 3.162 1.170 -4.534 1.00 0.00 H new ATOM 0 HA CYS A 36 0.704 -0.419 -4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.249 2.481 -3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.175 1.549 -3.190 1.00 0.00 H new ATOM 493 N ALA A 37 -0.276 0.301 -6.472 1.00 0.00 N ATOM 494 CA ALA A 37 -0.955 0.720 -7.691 1.00 0.00 C ATOM 495 C ALA A 37 -2.450 0.877 -7.442 1.00 0.00 C ATOM 496 O ALA A 37 -3.091 -0.011 -6.878 1.00 0.00 O ATOM 497 CB ALA A 37 -0.707 -0.280 -8.809 1.00 0.00 C ATOM 0 H ALA A 37 -0.472 -0.660 -6.190 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.551 1.686 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.222 0.049 -9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.363 -0.348 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.084 -1.259 -8.512 1.00 0.00 H new ATOM 503 N ASN A 38 -3.002 2.006 -7.869 1.00 0.00 N ATOM 504 CA ASN A 38 -4.424 2.275 -7.678 1.00 0.00 C ATOM 505 C ASN A 38 -5.261 1.515 -8.708 1.00 0.00 C ATOM 506 O ASN A 38 -5.136 1.750 -9.909 1.00 0.00 O ATOM 507 CB ASN A 38 -4.709 3.780 -7.780 1.00 0.00 C ATOM 508 CG ASN A 38 -6.116 4.160 -7.331 1.00 0.00 C ATOM 509 OD1 ASN A 38 -6.342 5.276 -6.865 1.00 0.00 O ATOM 510 ND2 ASN A 38 -7.068 3.240 -7.464 1.00 0.00 N ATOM 0 H ASN A 38 -2.491 2.748 -8.348 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.700 1.932 -6.681 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.983 4.322 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.565 4.101 -8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.024 3.449 -7.175 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.842 2.325 -7.855 1.00 0.00 H new ATOM 517 N PRO A 39 -6.125 0.589 -8.248 1.00 0.00 N ATOM 518 CA PRO A 39 -6.990 -0.189 -9.132 1.00 0.00 C ATOM 519 C PRO A 39 -8.271 0.562 -9.497 1.00 0.00 C ATOM 520 O PRO A 39 -9.153 0.731 -8.656 1.00 0.00 O ATOM 521 CB PRO A 39 -7.320 -1.416 -8.285 1.00 0.00 C ATOM 522 CG PRO A 39 -7.312 -0.915 -6.880 1.00 0.00 C ATOM 523 CD PRO A 39 -6.316 0.216 -6.830 1.00 0.00 C ATOM 0 HA PRO A 39 -6.512 -0.417 -10.085 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.291 -1.833 -8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.584 -2.207 -8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.304 -0.571 -6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.032 -1.709 -6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -6.693 1.054 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.379 -0.098 -6.370 1.00 0.00 H new ATOM 531 N PRO A 40 -8.397 1.029 -10.756 1.00 0.00 N ATOM 532 CA PRO A 40 -9.588 1.760 -11.197 1.00 0.00 C ATOM 533 C PRO A 40 -10.788 0.838 -11.380 1.00 0.00 C ATOM 534 O PRO A 40 -10.836 0.047 -12.323 1.00 0.00 O ATOM 535 CB PRO A 40 -9.157 2.355 -12.537 1.00 0.00 C ATOM 536 CG PRO A 40 -8.128 1.410 -13.051 1.00 0.00 C ATOM 537 CD PRO A 40 -7.405 0.884 -11.841 1.00 0.00 C ATOM 0 HA PRO A 40 -9.909 2.506 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.999 2.437 -13.224 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.748 3.358 -12.413 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.590 0.598 -13.613 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.439 1.914 -13.728 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.104 -0.155 -11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.499 1.454 -11.635 1.00 0.00 H new ATOM 545 N ALA A 41 -11.757 0.957 -10.477 1.00 0.00 N ATOM 546 CA ALA A 41 -12.963 0.137 -10.518 1.00 0.00 C ATOM 547 C ALA A 41 -13.871 0.453 -9.336 1.00 0.00 C ATOM 548 O ALA A 41 -13.472 1.154 -8.406 1.00 0.00 O ATOM 549 CB ALA A 41 -12.603 -1.342 -10.513 1.00 0.00 C ATOM 0 H ALA A 41 -11.729 1.619 -9.702 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.497 0.368 -11.440 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.515 -1.939 -10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.990 -1.570 -11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.046 -1.578 -9.606 1.00 0.00 H new ATOM 555 N THR A 42 -15.092 -0.068 -9.377 1.00 0.00 N ATOM 556 CA THR A 42 -16.053 0.155 -8.304 1.00 0.00 C ATOM 557 C THR A 42 -15.977 -0.956 -7.260 1.00 0.00 C ATOM 558 O THR A 42 -16.666 -1.972 -7.365 1.00 0.00 O ATOM 559 CB THR A 42 -17.494 0.254 -8.846 1.00 0.00 C ATOM 560 OG1 THR A 42 -18.431 0.194 -7.764 1.00 0.00 O ATOM 561 CG2 THR A 42 -17.785 -0.862 -9.841 1.00 0.00 C ATOM 0 H THR A 42 -15.439 -0.647 -10.141 1.00 0.00 H new ATOM 0 HA THR A 42 -15.792 1.104 -7.835 1.00 0.00 H new ATOM 0 HB THR A 42 -17.595 1.209 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 42 -19.343 0.259 -8.117 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.808 -0.767 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.092 -0.791 -10.680 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.664 -1.828 -9.350 1.00 0.00 H new ATOM 569 N LEU A 43 -15.128 -0.758 -6.253 1.00 0.00 N ATOM 570 CA LEU A 43 -14.959 -1.740 -5.186 1.00 0.00 C ATOM 571 C LEU A 43 -16.307 -2.070 -4.545 1.00 0.00 C ATOM 572 O LEU A 43 -16.815 -1.311 -3.718 1.00 0.00 O ATOM 573 CB LEU A 43 -13.986 -1.208 -4.122 1.00 0.00 C ATOM 574 CG LEU A 43 -12.748 -0.483 -4.666 1.00 0.00 C ATOM 575 CD1 LEU A 43 -12.019 0.240 -3.544 1.00 0.00 C ATOM 576 CD2 LEU A 43 -11.809 -1.463 -5.356 1.00 0.00 C ATOM 0 H LEU A 43 -14.547 0.074 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 43 -14.545 -2.651 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.528 -0.525 -3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.655 -2.044 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.080 0.252 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.144 0.749 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.686 0.972 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.704 -0.482 -2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.938 -0.928 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.487 -2.222 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.329 -1.942 -6.186 1.00 0.00 H new ATOM 588 N ALA A 44 -16.880 -3.206 -4.941 1.00 0.00 N ATOM 589 CA ALA A 44 -18.173 -3.644 -4.420 1.00 0.00 C ATOM 590 C ALA A 44 -18.174 -3.692 -2.896 1.00 0.00 C ATOM 591 O ALA A 44 -19.127 -3.251 -2.254 1.00 0.00 O ATOM 592 CB ALA A 44 -18.538 -5.008 -4.990 1.00 0.00 C ATOM 0 H ALA A 44 -16.467 -3.841 -5.624 1.00 0.00 H new ATOM 0 HA ALA A 44 -18.921 -2.915 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -19.504 -5.322 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -18.596 -4.945 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.777 -5.735 -4.709 1.00 0.00 H new ATOM 598 N ASN A 45 -17.104 -4.233 -2.323 1.00 0.00 N ATOM 599 CA ASN A 45 -16.984 -4.334 -0.873 1.00 0.00 C ATOM 600 C ASN A 45 -15.535 -4.586 -0.466 1.00 0.00 C ATOM 601 O ASN A 45 -14.619 -4.428 -1.275 1.00 0.00 O ATOM 602 CB ASN A 45 -17.901 -5.440 -0.328 1.00 0.00 C ATOM 603 CG ASN A 45 -17.795 -6.743 -1.101 1.00 0.00 C ATOM 604 OD1 ASN A 45 -18.793 -7.434 -1.309 1.00 0.00 O ATOM 605 ND2 ASN A 45 -16.585 -7.095 -1.517 1.00 0.00 N ATOM 0 H ASN A 45 -16.308 -4.608 -2.840 1.00 0.00 H new ATOM 0 HA ASN A 45 -17.299 -3.385 -0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -17.654 -5.625 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -18.934 -5.092 -0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -16.456 -7.967 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -15.784 -6.493 -1.324 1.00 0.00 H new ATOM 612 N ALA A 46 -15.329 -4.977 0.787 1.00 0.00 N ATOM 613 CA ALA A 46 -13.988 -5.234 1.294 1.00 0.00 C ATOM 614 C ALA A 46 -13.397 -6.506 0.702 1.00 0.00 C ATOM 615 O ALA A 46 -12.334 -6.472 0.090 1.00 0.00 O ATOM 616 CB ALA A 46 -14.008 -5.313 2.811 1.00 0.00 C ATOM 0 H ALA A 46 -16.073 -5.123 1.469 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.351 -4.404 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.000 -5.505 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.369 -4.369 3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.669 -6.121 3.125 1.00 0.00 H new ATOM 622 N THR A 47 -14.087 -7.622 0.892 1.00 0.00 N ATOM 623 CA THR A 47 -13.624 -8.906 0.377 1.00 0.00 C ATOM 624 C THR A 47 -13.306 -8.826 -1.116 1.00 0.00 C ATOM 625 O THR A 47 -12.589 -9.668 -1.655 1.00 0.00 O ATOM 626 CB THR A 47 -14.670 -10.013 0.615 1.00 0.00 C ATOM 627 OG1 THR A 47 -15.041 -10.046 1.998 1.00 0.00 O ATOM 628 CG2 THR A 47 -14.126 -11.372 0.202 1.00 0.00 C ATOM 0 H THR A 47 -14.971 -7.666 1.399 1.00 0.00 H new ATOM 0 HA THR A 47 -12.712 -9.154 0.920 1.00 0.00 H new ATOM 0 HB THR A 47 -15.546 -9.789 0.007 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.707 -10.750 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.883 -12.136 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.870 -11.355 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.235 -11.601 0.787 1.00 0.00 H new ATOM 636 N HIS A 48 -13.837 -7.801 -1.778 1.00 0.00 N ATOM 637 CA HIS A 48 -13.625 -7.626 -3.209 1.00 0.00 C ATOM 638 C HIS A 48 -12.224 -7.109 -3.513 1.00 0.00 C ATOM 639 O HIS A 48 -11.477 -7.747 -4.255 1.00 0.00 O ATOM 640 CB HIS A 48 -14.676 -6.681 -3.798 1.00 0.00 C ATOM 641 CG HIS A 48 -14.560 -6.497 -5.280 1.00 0.00 C ATOM 642 ND1 HIS A 48 -15.282 -7.245 -6.187 1.00 0.00 N ATOM 643 CD2 HIS A 48 -13.807 -5.642 -6.017 1.00 0.00 C ATOM 644 CE1 HIS A 48 -14.978 -6.862 -7.414 1.00 0.00 C ATOM 645 NE2 HIS A 48 -14.087 -5.891 -7.338 1.00 0.00 N ATOM 0 H HIS A 48 -14.416 -7.081 -1.346 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.727 -8.606 -3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -15.669 -7.066 -3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -14.590 -5.709 -3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.117 -4.904 -5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.388 -7.273 -8.324 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -13.673 -5.404 -8.133 1.00 0.00 H new ATOM 654 N PHE A 49 -11.859 -5.961 -2.948 1.00 0.00 N ATOM 655 CA PHE A 49 -10.536 -5.411 -3.207 1.00 0.00 C ATOM 656 C PHE A 49 -9.504 -6.102 -2.330 1.00 0.00 C ATOM 657 O PHE A 49 -8.303 -6.037 -2.591 1.00 0.00 O ATOM 658 CB PHE A 49 -10.508 -3.882 -3.063 1.00 0.00 C ATOM 659 CG PHE A 49 -10.412 -3.347 -1.669 1.00 0.00 C ATOM 660 CD1 PHE A 49 -11.301 -3.740 -0.687 1.00 0.00 C ATOM 661 CD2 PHE A 49 -9.437 -2.416 -1.356 1.00 0.00 C ATOM 662 CE1 PHE A 49 -11.213 -3.217 0.588 1.00 0.00 C ATOM 663 CE2 PHE A 49 -9.349 -1.887 -0.088 1.00 0.00 C ATOM 664 CZ PHE A 49 -10.236 -2.288 0.885 1.00 0.00 C ATOM 0 H PHE A 49 -12.445 -5.407 -2.324 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.277 -5.611 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -9.662 -3.500 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -11.411 -3.479 -3.522 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.070 -4.462 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.737 -2.101 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.908 -3.534 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.585 -1.159 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.168 -1.876 1.881 1.00 0.00 H new ATOM 674 N GLU A 50 -9.982 -6.760 -1.277 1.00 0.00 N ATOM 675 CA GLU A 50 -9.105 -7.516 -0.397 1.00 0.00 C ATOM 676 C GLU A 50 -8.535 -8.707 -1.158 1.00 0.00 C ATOM 677 O GLU A 50 -7.373 -9.076 -0.980 1.00 0.00 O ATOM 678 CB GLU A 50 -9.865 -8.010 0.838 1.00 0.00 C ATOM 679 CG GLU A 50 -9.798 -7.064 2.025 1.00 0.00 C ATOM 680 CD GLU A 50 -10.451 -7.643 3.265 1.00 0.00 C ATOM 681 OE1 GLU A 50 -11.667 -7.426 3.452 1.00 0.00 O ATOM 682 OE2 GLU A 50 -9.747 -8.312 4.050 1.00 0.00 O ATOM 0 H GLU A 50 -10.968 -6.783 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.297 -6.865 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.910 -8.167 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.463 -8.979 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.755 -6.831 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.287 -6.125 1.765 1.00 0.00 H new ATOM 689 N SER A 51 -9.369 -9.307 -2.014 1.00 0.00 N ATOM 690 CA SER A 51 -8.955 -10.453 -2.813 1.00 0.00 C ATOM 691 C SER A 51 -8.254 -10.006 -4.095 1.00 0.00 C ATOM 692 O SER A 51 -7.342 -10.677 -4.576 1.00 0.00 O ATOM 693 CB SER A 51 -10.167 -11.318 -3.162 1.00 0.00 C ATOM 694 OG SER A 51 -10.809 -11.794 -1.993 1.00 0.00 O ATOM 0 H SER A 51 -10.334 -9.014 -2.168 1.00 0.00 H new ATOM 0 HA SER A 51 -8.251 -11.038 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.872 -10.738 -3.757 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.851 -12.161 -3.776 1.00 0.00 H new ATOM 0 HG SER A 51 -11.483 -11.145 -1.702 1.00 0.00 H new ATOM 700 N THR A 52 -8.687 -8.870 -4.646 1.00 0.00 N ATOM 701 CA THR A 52 -8.097 -8.348 -5.877 1.00 0.00 C ATOM 702 C THR A 52 -6.592 -8.149 -5.716 1.00 0.00 C ATOM 703 O THR A 52 -5.833 -8.271 -6.678 1.00 0.00 O ATOM 704 CB THR A 52 -8.762 -7.020 -6.314 1.00 0.00 C ATOM 705 OG1 THR A 52 -8.699 -6.894 -7.740 1.00 0.00 O ATOM 706 CG2 THR A 52 -8.085 -5.811 -5.677 1.00 0.00 C ATOM 0 H THR A 52 -9.439 -8.298 -4.261 1.00 0.00 H new ATOM 0 HA THR A 52 -8.276 -9.088 -6.657 1.00 0.00 H new ATOM 0 HB THR A 52 -9.799 -7.046 -5.980 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.122 -6.053 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.581 -4.899 -6.009 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.152 -5.886 -4.592 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.037 -5.782 -5.974 1.00 0.00 H new ATOM 714 N CYS A 53 -6.170 -7.839 -4.493 1.00 0.00 N ATOM 715 CA CYS A 53 -4.756 -7.637 -4.199 1.00 0.00 C ATOM 716 C CYS A 53 -4.093 -8.966 -3.847 1.00 0.00 C ATOM 717 O CYS A 53 -3.032 -9.302 -4.372 1.00 0.00 O ATOM 718 CB CYS A 53 -4.584 -6.647 -3.042 1.00 0.00 C ATOM 719 SG CYS A 53 -5.397 -5.037 -3.300 1.00 0.00 S ATOM 0 H CYS A 53 -6.788 -7.722 -3.690 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.277 -7.226 -5.087 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.980 -7.098 -2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -3.519 -6.480 -2.878 1.00 0.00 H new ATOM 724 N ALA A 54 -4.733 -9.719 -2.953 1.00 0.00 N ATOM 725 CA ALA A 54 -4.219 -11.014 -2.521 1.00 0.00 C ATOM 726 C ALA A 54 -4.115 -11.998 -3.684 1.00 0.00 C ATOM 727 O ALA A 54 -3.468 -13.038 -3.565 1.00 0.00 O ATOM 728 CB ALA A 54 -5.105 -11.584 -1.426 1.00 0.00 C ATOM 0 H ALA A 54 -5.613 -9.451 -2.513 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.213 -10.861 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.715 -12.551 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.118 -10.901 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.119 -11.709 -1.806 1.00 0.00 H new ATOM 734 N ALA A 55 -4.761 -11.670 -4.801 1.00 0.00 N ATOM 735 CA ALA A 55 -4.735 -12.530 -5.981 1.00 0.00 C ATOM 736 C ALA A 55 -3.308 -12.931 -6.331 1.00 0.00 C ATOM 737 O ALA A 55 -3.018 -14.108 -6.553 1.00 0.00 O ATOM 738 CB ALA A 55 -5.388 -11.830 -7.164 1.00 0.00 C ATOM 0 H ALA A 55 -5.308 -10.816 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.299 -13.434 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.360 -12.485 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.424 -11.594 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.848 -10.909 -7.385 1.00 0.00 H new ATOM 744 N ILE A 56 -2.423 -11.943 -6.379 1.00 0.00 N ATOM 745 CA ILE A 56 -1.019 -12.191 -6.691 1.00 0.00 C ATOM 746 C ILE A 56 -0.212 -12.398 -5.413 1.00 0.00 C ATOM 747 O ILE A 56 0.975 -12.721 -5.457 1.00 0.00 O ATOM 748 CB ILE A 56 -0.407 -11.031 -7.500 1.00 0.00 C ATOM 749 CG1 ILE A 56 -0.547 -9.716 -6.728 1.00 0.00 C ATOM 750 CG2 ILE A 56 -1.077 -10.933 -8.866 1.00 0.00 C ATOM 751 CD1 ILE A 56 0.042 -8.519 -7.446 1.00 0.00 C ATOM 0 H ILE A 56 -2.651 -10.964 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.978 -13.096 -7.297 1.00 0.00 H new ATOM 0 HB ILE A 56 0.655 -11.226 -7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.604 -9.529 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.061 -9.821 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.637 -10.110 -9.429 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.930 -11.865 -9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.144 -10.754 -8.736 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.096 -7.625 -6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.106 -8.683 -7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.460 -8.386 -8.404 1.00 0.00 H new ATOM 763 N GLY A 57 -0.873 -12.204 -4.274 1.00 0.00 N ATOM 764 CA GLY A 57 -0.220 -12.379 -2.986 1.00 0.00 C ATOM 765 C GLY A 57 -0.017 -11.069 -2.249 1.00 0.00 C ATOM 766 O GLY A 57 0.844 -10.971 -1.374 1.00 0.00 O ATOM 0 H GLY A 57 -1.853 -11.928 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.818 -13.050 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.746 -12.860 -3.136 1.00 0.00 H new ATOM 770 N GLN A 58 -0.809 -10.056 -2.600 1.00 0.00 N ATOM 771 CA GLN A 58 -0.704 -8.746 -1.963 1.00 0.00 C ATOM 772 C GLN A 58 -1.837 -8.533 -0.959 1.00 0.00 C ATOM 773 O GLN A 58 -2.461 -9.490 -0.502 1.00 0.00 O ATOM 774 CB GLN A 58 -0.723 -7.638 -3.021 1.00 0.00 C ATOM 775 CG GLN A 58 0.542 -7.561 -3.868 1.00 0.00 C ATOM 776 CD GLN A 58 1.632 -8.505 -3.392 1.00 0.00 C ATOM 777 OE1 GLN A 58 2.419 -8.168 -2.508 1.00 0.00 O ATOM 778 NE2 GLN A 58 1.690 -9.688 -3.987 1.00 0.00 N ATOM 0 H GLN A 58 -1.528 -10.118 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 58 0.243 -8.706 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.578 -7.794 -3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.873 -6.679 -2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.294 -7.794 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.921 -6.539 -3.853 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.017 -9.926 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.408 -10.360 -3.716 1.00 0.00 H new ATOM 787 N ARG A 59 -2.094 -7.271 -0.618 1.00 0.00 N ATOM 788 CA ARG A 59 -3.150 -6.935 0.334 1.00 0.00 C ATOM 789 C ARG A 59 -3.635 -5.505 0.129 1.00 0.00 C ATOM 790 O ARG A 59 -2.912 -4.658 -0.394 1.00 0.00 O ATOM 791 CB ARG A 59 -2.653 -7.112 1.773 1.00 0.00 C ATOM 792 CG ARG A 59 -1.618 -6.084 2.196 1.00 0.00 C ATOM 793 CD ARG A 59 -0.259 -6.362 1.572 1.00 0.00 C ATOM 794 NE ARG A 59 0.230 -7.699 1.903 1.00 0.00 N ATOM 795 CZ ARG A 59 1.186 -8.326 1.224 1.00 0.00 C ATOM 796 NH1 ARG A 59 1.757 -7.741 0.180 1.00 0.00 N ATOM 797 NH2 ARG A 59 1.571 -9.541 1.590 1.00 0.00 N ATOM 0 H ARG A 59 -1.586 -6.467 -0.986 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.985 -7.614 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.505 -7.056 2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.226 -8.109 1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.955 -5.089 1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.527 -6.086 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.329 -6.259 0.489 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.458 -5.617 1.917 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.186 -8.179 2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.463 -6.807 -0.105 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.490 -8.225 -0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.134 -9.994 2.392 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.304 -10.022 1.069 1.00 0.00 H new ATOM 811 N ALA A 60 -4.866 -5.254 0.549 1.00 0.00 N ATOM 812 CA ALA A 60 -5.472 -3.932 0.424 1.00 0.00 C ATOM 813 C ALA A 60 -4.840 -2.951 1.411 1.00 0.00 C ATOM 814 O ALA A 60 -4.828 -3.195 2.618 1.00 0.00 O ATOM 815 CB ALA A 60 -6.976 -4.021 0.647 1.00 0.00 C ATOM 0 H ALA A 60 -5.470 -5.952 0.983 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.289 -3.562 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.417 -3.029 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.415 -4.687 -0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.173 -4.411 1.645 1.00 0.00 H new ATOM 821 N ARG A 61 -4.322 -1.840 0.889 1.00 0.00 N ATOM 822 CA ARG A 61 -3.677 -0.826 1.719 1.00 0.00 C ATOM 823 C ARG A 61 -4.183 0.572 1.371 1.00 0.00 C ATOM 824 O ARG A 61 -5.047 0.738 0.509 1.00 0.00 O ATOM 825 CB ARG A 61 -2.162 -0.875 1.518 1.00 0.00 C ATOM 826 CG ARG A 61 -1.557 -2.249 1.745 1.00 0.00 C ATOM 827 CD ARG A 61 -1.378 -2.550 3.222 1.00 0.00 C ATOM 828 NE ARG A 61 -0.168 -1.940 3.769 1.00 0.00 N ATOM 829 CZ ARG A 61 0.218 -2.075 5.034 1.00 0.00 C ATOM 830 NH1 ARG A 61 -0.506 -2.796 5.881 1.00 0.00 N ATOM 831 NH2 ARG A 61 1.334 -1.496 5.453 1.00 0.00 N ATOM 0 H ARG A 61 -4.337 -1.620 -0.107 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.921 -1.038 2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.929 -0.549 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.692 -0.165 2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.198 -3.007 1.295 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.592 -2.308 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.246 -2.187 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.336 -3.629 3.368 1.00 0.00 H new ATOM 0 HE ARG A 61 0.413 -1.379 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.362 -3.249 5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.206 -2.897 6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.898 -0.946 4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.629 -1.600 6.424 1.00 0.00 H new ATOM 845 N CYS A 62 -3.633 1.574 2.053 1.00 0.00 N ATOM 846 CA CYS A 62 -3.997 2.968 1.818 1.00 0.00 C ATOM 847 C CYS A 62 -2.803 3.872 2.140 1.00 0.00 C ATOM 848 O CYS A 62 -2.334 3.897 3.278 1.00 0.00 O ATOM 849 CB CYS A 62 -5.212 3.364 2.672 1.00 0.00 C ATOM 850 SG CYS A 62 -6.567 4.131 1.719 1.00 0.00 S ATOM 0 H CYS A 62 -2.928 1.444 2.778 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.267 3.089 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.593 2.477 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.888 4.058 3.447 1.00 0.00 H new ATOM 855 N CYS A 63 -2.309 4.611 1.144 1.00 0.00 N ATOM 856 CA CYS A 63 -1.158 5.491 1.347 1.00 0.00 C ATOM 857 C CYS A 63 -1.441 6.883 0.806 1.00 0.00 C ATOM 858 O CYS A 63 -2.373 7.073 0.024 1.00 0.00 O ATOM 859 CB CYS A 63 0.076 4.922 0.648 1.00 0.00 C ATOM 860 SG CYS A 63 0.049 3.114 0.435 1.00 0.00 S ATOM 0 H CYS A 63 -2.685 4.617 0.196 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.972 5.556 2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.173 5.390 -0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.962 5.196 1.221 1.00 0.00 H new ATOM 865 N LYS A 64 -0.637 7.862 1.219 1.00 0.00 N ATOM 866 CA LYS A 64 -0.826 9.227 0.744 1.00 0.00 C ATOM 867 C LYS A 64 -0.170 9.414 -0.623 1.00 0.00 C ATOM 868 O LYS A 64 0.902 8.866 -0.883 1.00 0.00 O ATOM 869 CB LYS A 64 -0.290 10.249 1.756 1.00 0.00 C ATOM 870 CG LYS A 64 1.158 10.678 1.543 1.00 0.00 C ATOM 871 CD LYS A 64 2.119 9.906 2.429 1.00 0.00 C ATOM 872 CE LYS A 64 2.680 8.681 1.737 1.00 0.00 C ATOM 873 NZ LYS A 64 4.173 8.669 1.768 1.00 0.00 N ATOM 0 H LYS A 64 0.138 7.737 1.870 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.897 9.402 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.923 11.136 1.722 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.384 9.828 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.430 10.529 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.254 11.744 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.939 10.559 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.605 9.602 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.298 7.782 2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.337 8.657 0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.524 7.835 1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.537 9.532 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.499 8.633 2.755 1.00 0.00 H new ATOM 1021 N LEU A 75 2.341 4.665 -7.089 1.00 0.00 N ATOM 1022 CA LEU A 75 3.501 5.335 -6.518 1.00 0.00 C ATOM 1023 C LEU A 75 4.388 4.360 -5.751 1.00 0.00 C ATOM 1024 O LEU A 75 3.973 3.250 -5.418 1.00 0.00 O ATOM 1025 CB LEU A 75 3.052 6.461 -5.580 1.00 0.00 C ATOM 1026 CG LEU A 75 4.141 7.471 -5.207 1.00 0.00 C ATOM 1027 CD1 LEU A 75 4.610 8.237 -6.436 1.00 0.00 C ATOM 1028 CD2 LEU A 75 3.634 8.433 -4.143 1.00 0.00 C ATOM 0 HA LEU A 75 4.080 5.751 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.227 6.997 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.662 6.016 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 75 4.991 6.922 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.383 8.949 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.015 7.538 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.768 8.773 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.421 9.144 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.767 8.972 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.351 7.873 -3.252 1.00 0.00 H new ATOM 1040 N ILE A 76 5.612 4.796 -5.480 1.00 0.00 N ATOM 1041 CA ILE A 76 6.574 3.997 -4.734 1.00 0.00 C ATOM 1042 C ILE A 76 6.825 4.662 -3.391 1.00 0.00 C ATOM 1043 O ILE A 76 7.595 5.619 -3.295 1.00 0.00 O ATOM 1044 CB ILE A 76 7.910 3.850 -5.494 1.00 0.00 C ATOM 1045 CG1 ILE A 76 7.673 3.201 -6.861 1.00 0.00 C ATOM 1046 CG2 ILE A 76 8.898 3.031 -4.674 1.00 0.00 C ATOM 1047 CD1 ILE A 76 8.918 3.109 -7.720 1.00 0.00 C ATOM 0 H ILE A 76 5.964 5.709 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 76 6.159 2.998 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 76 8.335 4.841 -5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.271 2.199 -6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.915 3.772 -7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.835 2.936 -5.222 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.083 3.530 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.484 2.040 -4.489 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.670 2.638 -8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.310 4.110 -7.902 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.672 2.512 -7.206 1.00 0.00 H new ATOM 1059 N ILE A 77 6.171 4.155 -2.356 1.00 0.00 N ATOM 1060 CA ILE A 77 6.288 4.741 -1.030 1.00 0.00 C ATOM 1061 C ILE A 77 6.652 3.720 0.039 1.00 0.00 C ATOM 1062 O ILE A 77 6.615 2.511 -0.189 1.00 0.00 O ATOM 1063 CB ILE A 77 4.971 5.429 -0.642 1.00 0.00 C ATOM 1064 CG1 ILE A 77 3.785 4.518 -1.014 1.00 0.00 C ATOM 1065 CG2 ILE A 77 4.878 6.793 -1.318 1.00 0.00 C ATOM 1066 CD1 ILE A 77 2.672 5.206 -1.779 1.00 0.00 C ATOM 0 H ILE A 77 5.557 3.343 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 77 7.099 5.467 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 77 4.940 5.595 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.157 3.686 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.370 4.093 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.941 7.275 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.715 7.415 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.911 6.666 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.882 4.487 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.267 6.020 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.066 5.606 -2.713 1.00 0.00 H new ATOM 1078 N ASN A 78 6.997 4.236 1.214 1.00 0.00 N ATOM 1079 CA ASN A 78 7.382 3.411 2.351 1.00 0.00 C ATOM 1080 C ASN A 78 6.205 2.591 2.866 1.00 0.00 C ATOM 1081 O ASN A 78 5.046 2.954 2.665 1.00 0.00 O ATOM 1082 CB ASN A 78 7.925 4.303 3.469 1.00 0.00 C ATOM 1083 CG ASN A 78 8.775 3.533 4.464 1.00 0.00 C ATOM 1084 OD1 ASN A 78 9.240 2.431 4.175 1.00 0.00 O ATOM 1085 ND2 ASN A 78 8.999 4.116 5.635 1.00 0.00 N ATOM 0 H ASN A 78 7.017 5.238 1.404 1.00 0.00 H new ATOM 0 HA ASN A 78 8.156 2.717 2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.519 5.106 3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.092 4.771 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.576 3.649 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.595 5.031 5.835 1.00 0.00 H new ATOM 1092 N ALA A 79 6.512 1.482 3.535 1.00 0.00 N ATOM 1093 CA ALA A 79 5.481 0.612 4.088 1.00 0.00 C ATOM 1094 C ALA A 79 4.727 1.318 5.209 1.00 0.00 C ATOM 1095 O ALA A 79 3.525 1.119 5.384 1.00 0.00 O ATOM 1096 CB ALA A 79 6.095 -0.685 4.593 1.00 0.00 C ATOM 0 H ALA A 79 7.467 1.166 3.706 1.00 0.00 H new ATOM 0 HA ALA A 79 4.772 0.373 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.312 -1.323 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.588 -1.200 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.826 -0.463 5.371 1.00 0.00 H new ATOM 1102 N ALA A 80 5.444 2.143 5.965 1.00 0.00 N ATOM 1103 CA ALA A 80 4.847 2.888 7.065 1.00 0.00 C ATOM 1104 C ALA A 80 3.896 3.956 6.542 1.00 0.00 C ATOM 1105 O ALA A 80 3.021 4.430 7.265 1.00 0.00 O ATOM 1106 CB ALA A 80 5.927 3.524 7.923 1.00 0.00 C ATOM 0 H ALA A 80 6.441 2.312 5.835 1.00 0.00 H new ATOM 0 HA ALA A 80 4.277 2.189 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.464 4.077 8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.573 2.746 8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.521 4.206 7.314 1.00 0.00 H new ATOM 1112 N ASN A 81 4.080 4.335 5.281 1.00 0.00 N ATOM 1113 CA ASN A 81 3.235 5.345 4.661 1.00 0.00 C ATOM 1114 C ASN A 81 1.889 4.748 4.270 1.00 0.00 C ATOM 1115 O ASN A 81 1.015 5.446 3.756 1.00 0.00 O ATOM 1116 CB ASN A 81 3.919 5.937 3.429 1.00 0.00 C ATOM 1117 CG ASN A 81 5.362 6.318 3.684 1.00 0.00 C ATOM 1118 OD1 ASN A 81 5.788 6.458 4.831 1.00 0.00 O ATOM 1119 ND2 ASN A 81 6.118 6.512 2.611 1.00 0.00 N ATOM 0 H ASN A 81 4.805 3.958 4.671 1.00 0.00 H new ATOM 0 HA ASN A 81 3.070 6.141 5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.878 5.214 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.368 6.819 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.094 6.789 2.718 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.723 6.385 1.679 1.00 0.00 H new ATOM 1126 N CYS A 82 1.732 3.452 4.518 1.00 0.00 N ATOM 1127 CA CYS A 82 0.493 2.757 4.195 1.00 0.00 C ATOM 1128 C CYS A 82 -0.040 2.012 5.418 1.00 0.00 C ATOM 1129 O CYS A 82 0.575 1.052 5.880 1.00 0.00 O ATOM 1130 CB CYS A 82 0.728 1.762 3.053 1.00 0.00 C ATOM 1131 SG CYS A 82 1.572 2.475 1.606 1.00 0.00 S ATOM 0 H CYS A 82 2.448 2.862 4.942 1.00 0.00 H new ATOM 0 HA CYS A 82 -0.243 3.498 3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.319 0.927 3.429 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.233 1.356 2.736 1.00 0.00 H new ATOM 1136 N GLN A 83 -1.180 2.454 5.941 1.00 0.00 N ATOM 1137 CA GLN A 83 -1.779 1.815 7.111 1.00 0.00 C ATOM 1138 C GLN A 83 -3.055 1.069 6.732 1.00 0.00 C ATOM 1139 O GLN A 83 -3.903 1.592 6.008 1.00 0.00 O ATOM 1140 CB GLN A 83 -2.083 2.858 8.194 1.00 0.00 C ATOM 1141 CG GLN A 83 -0.982 2.991 9.245 1.00 0.00 C ATOM 1142 CD GLN A 83 0.380 3.267 8.635 1.00 0.00 C ATOM 1143 OE1 GLN A 83 0.487 3.889 7.579 1.00 0.00 O ATOM 1144 NE2 GLN A 83 1.431 2.802 9.302 1.00 0.00 N ATOM 0 H GLN A 83 -1.706 3.248 5.576 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.062 1.094 7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.239 3.827 7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.016 2.592 8.690 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.238 3.797 9.933 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.933 2.074 9.832 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.296 2.291 10.174 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.373 2.956 8.942 1.00 0.00 H new ATOM 1153 N THR A 84 -3.175 -0.162 7.227 1.00 0.00 N ATOM 1154 CA THR A 84 -4.340 -0.997 6.953 1.00 0.00 C ATOM 1155 C THR A 84 -5.640 -0.241 7.236 1.00 0.00 C ATOM 1156 O THR A 84 -5.783 0.375 8.292 1.00 0.00 O ATOM 1157 CB THR A 84 -4.320 -2.284 7.802 1.00 0.00 C ATOM 1158 OG1 THR A 84 -2.967 -2.678 8.065 1.00 0.00 O ATOM 1159 CG2 THR A 84 -5.045 -3.414 7.088 1.00 0.00 C ATOM 0 H THR A 84 -2.475 -0.604 7.823 1.00 0.00 H new ATOM 0 HA THR A 84 -4.296 -1.262 5.897 1.00 0.00 H new ATOM 0 HB THR A 84 -4.831 -2.078 8.743 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.964 -3.495 8.606 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.018 -4.311 7.706 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.081 -3.127 6.911 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.556 -3.615 6.135 1.00 0.00 H new ATOM 1167 N PRO A 85 -6.609 -0.279 6.297 1.00 0.00 N ATOM 1168 CA PRO A 85 -7.894 0.412 6.465 1.00 0.00 C ATOM 1169 C PRO A 85 -8.714 -0.158 7.617 1.00 0.00 C ATOM 1170 O PRO A 85 -8.578 -1.330 7.969 1.00 0.00 O ATOM 1171 CB PRO A 85 -8.611 0.178 5.131 1.00 0.00 C ATOM 1172 CG PRO A 85 -7.961 -1.027 4.547 1.00 0.00 C ATOM 1173 CD PRO A 85 -6.532 -0.992 5.007 1.00 0.00 C ATOM 0 HA PRO A 85 -7.756 1.466 6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.679 0.017 5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.508 1.040 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.456 -1.938 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.021 -1.014 3.459 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.123 -1.995 5.126 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.893 -0.469 4.296 1.00 0.00 H new ATOM 1181 N ALA A 86 -9.567 0.681 8.195 1.00 0.00 N ATOM 1182 CA ALA A 86 -10.412 0.270 9.310 1.00 0.00 C ATOM 1183 C ALA A 86 -11.602 -0.551 8.827 1.00 0.00 C ATOM 1184 O ALA A 86 -12.320 -0.144 7.914 1.00 0.00 O ATOM 1185 CB ALA A 86 -10.892 1.490 10.083 1.00 0.00 C ATOM 0 H ALA A 86 -9.691 1.652 7.909 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.816 -0.359 9.972 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.522 1.170 10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -10.032 2.037 10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.466 2.138 9.420 1.00 0.00 H new ATOM 1191 N GLY A 87 -11.805 -1.710 9.447 1.00 0.00 N ATOM 1192 CA GLY A 87 -12.910 -2.570 9.072 1.00 0.00 C ATOM 1193 C GLY A 87 -12.596 -3.455 7.880 1.00 0.00 C ATOM 1194 O GLY A 87 -13.505 -3.995 7.250 1.00 0.00 O ATOM 0 H GLY A 87 -11.222 -2.068 10.204 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -13.179 -3.197 9.922 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.780 -1.955 8.841 1.00 0.00 H new ATOM 1198 N LEU A 88 -11.311 -3.605 7.563 1.00 0.00 N ATOM 1199 CA LEU A 88 -10.895 -4.437 6.440 1.00 0.00 C ATOM 1200 C LEU A 88 -11.081 -5.916 6.765 1.00 0.00 C ATOM 1201 O LEU A 88 -10.150 -6.516 7.343 1.00 0.00 O ATOM 1202 CB LEU A 88 -9.434 -4.161 6.081 1.00 0.00 C ATOM 1203 CG LEU A 88 -8.895 -4.979 4.905 1.00 0.00 C ATOM 1204 CD1 LEU A 88 -9.155 -4.273 3.586 1.00 0.00 C ATOM 1205 CD2 LEU A 88 -7.410 -5.256 5.081 1.00 0.00 C ATOM 1206 OXT LEU A 88 -12.156 -6.462 6.439 1.00 0.00 O ATOM 0 H LEU A 88 -10.543 -3.162 8.068 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.522 -4.187 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -9.326 -3.102 5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.816 -4.359 6.957 1.00 0.00 H new ATOM 0 HG LEU A 88 -9.423 -5.932 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -8.762 -4.876 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -10.228 -4.135 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -8.662 -3.301 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.046 -5.839 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.867 -4.312 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.251 -5.816 6.002 1.00 0.00 H new