USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 114 ASN : amide:sc= -0.409 X(o=-0.44,f=-0.85) USER MOD Set 1.2: A 117 HIS : no HD1:sc= -0.0341 X(o=-0.44,f=-0.56) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.113 K(o=1,f=-3.6!) USER MOD Set 2.2: A 100 TYR OH : rot 180:sc= 0.886 USER MOD Set 3.1: A 92 LYS NZ :NH3+ 145:sc= 1.41! (180deg=0.0281) USER MOD Set 3.2: A 93 TYR OH : rot 151:sc= 0.888 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 63 THR OG1 : rot -100:sc= -0.25 USER MOD Single : A 66 GLN : amide:sc= -6.59! C(o=-6.6!,f=-7.4!) USER MOD Single : A 69 THR OG1 : rot 120:sc= -0.534! USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.212 X(o=0.21,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.6) USER MOD Single : A 94 ASN : amide:sc= 0.201 K(o=0.2,f=-7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00416 USER MOD Single : A 96 THR OG1 : rot -140:sc= 0.895 USER MOD Single : A 106 ASN : amide:sc= -0.0689 X(o=-0.069,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.000566 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 115 TYR OH : rot 180:sc= -2.05! USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N TYR A 59 -15.875 -2.770 -1.033 1.00 0.00 N ATOM 230 CA TYR A 59 -14.501 -2.779 -1.531 1.00 0.00 C ATOM 231 C TYR A 59 -13.621 -1.804 -0.744 1.00 0.00 C ATOM 232 O TYR A 59 -14.099 -1.122 0.164 1.00 0.00 O ATOM 233 CB TYR A 59 -14.492 -2.429 -3.022 1.00 0.00 C ATOM 234 CG TYR A 59 -14.730 -3.621 -3.919 1.00 0.00 C ATOM 235 CD1 TYR A 59 -13.700 -4.497 -4.225 1.00 0.00 C ATOM 236 CD2 TYR A 59 -15.988 -3.879 -4.447 1.00 0.00 C ATOM 237 CE1 TYR A 59 -13.913 -5.596 -5.035 1.00 0.00 C ATOM 238 CE2 TYR A 59 -16.211 -4.979 -5.256 1.00 0.00 C ATOM 239 CZ TYR A 59 -15.169 -5.833 -5.546 1.00 0.00 C ATOM 240 OH TYR A 59 -15.385 -6.929 -6.346 1.00 0.00 O ATOM 0 HA TYR A 59 -14.089 -3.779 -1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -15.258 -1.679 -3.216 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.533 -1.978 -3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.714 -4.317 -3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -16.806 -3.210 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -13.098 -6.266 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -17.196 -5.167 -5.658 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.325 -6.952 -6.623 1.00 0.00 H new ATOM 250 N CYS A 60 -12.332 -1.741 -1.090 1.00 0.00 N ATOM 251 CA CYS A 60 -11.401 -0.845 -0.399 1.00 0.00 C ATOM 252 C CYS A 60 -11.506 0.589 -0.912 1.00 0.00 C ATOM 253 O CYS A 60 -12.216 0.881 -1.877 1.00 0.00 O ATOM 254 CB CYS A 60 -9.953 -1.330 -0.530 1.00 0.00 C ATOM 255 SG CYS A 60 -9.087 -1.532 1.059 1.00 0.00 S ATOM 0 H CYS A 60 -11.912 -2.294 -1.837 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.685 -0.858 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.947 -2.284 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.399 -0.622 -1.146 1.00 0.00 H new ATOM 260 N ASN A 61 -10.778 1.472 -0.240 1.00 0.00 N ATOM 261 CA ASN A 61 -10.753 2.893 -0.577 1.00 0.00 C ATOM 262 C ASN A 61 -9.329 3.371 -0.861 1.00 0.00 C ATOM 263 O ASN A 61 -8.402 3.093 -0.094 1.00 0.00 O ATOM 264 CB ASN A 61 -11.350 3.695 0.582 1.00 0.00 C ATOM 265 CG ASN A 61 -11.139 5.195 0.459 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.589 5.831 -0.497 1.00 0.00 O ATOM 267 ND2 ASN A 61 -10.450 5.777 1.432 1.00 0.00 N ATOM 0 H ASN A 61 -10.188 1.225 0.554 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.343 3.046 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.419 3.491 0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.908 3.350 1.517 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.278 6.782 1.404 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.093 5.219 2.208 1.00 0.00 H new ATOM 274 N THR A 62 -9.171 4.094 -1.966 1.00 0.00 N ATOM 275 CA THR A 62 -7.868 4.627 -2.365 1.00 0.00 C ATOM 276 C THR A 62 -7.316 5.588 -1.318 1.00 0.00 C ATOM 277 O THR A 62 -7.853 6.677 -1.111 1.00 0.00 O ATOM 278 CB THR A 62 -7.952 5.327 -3.727 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.338 4.414 -4.737 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.645 5.951 -4.169 1.00 0.00 C ATOM 0 H THR A 62 -9.932 4.326 -2.605 1.00 0.00 H new ATOM 0 HA THR A 62 -7.185 3.781 -2.449 1.00 0.00 H new ATOM 0 HB THR A 62 -8.691 6.117 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.388 4.880 -5.598 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.779 6.428 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.333 6.697 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.881 5.178 -4.247 1.00 0.00 H new ATOM 288 N THR A 63 -6.243 5.166 -0.659 1.00 0.00 N ATOM 289 CA THR A 63 -5.602 5.972 0.376 1.00 0.00 C ATOM 290 C THR A 63 -4.079 5.901 0.281 1.00 0.00 C ATOM 291 O THR A 63 -3.517 5.170 -0.543 1.00 0.00 O ATOM 292 CB THR A 63 -6.052 5.504 1.765 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.508 6.338 2.777 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.644 4.079 2.077 1.00 0.00 C ATOM 0 H THR A 63 -5.795 4.264 -0.824 1.00 0.00 H new ATOM 0 HA THR A 63 -5.905 7.008 0.221 1.00 0.00 H new ATOM 0 HB THR A 63 -7.140 5.559 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.728 5.900 3.177 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.993 3.811 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.087 3.405 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.558 3.995 2.038 1.00 0.00 H new ATOM 302 N LEU A 64 -3.419 6.651 1.153 1.00 0.00 N ATOM 303 CA LEU A 64 -1.964 6.676 1.213 1.00 0.00 C ATOM 304 C LEU A 64 -1.510 6.371 2.632 1.00 0.00 C ATOM 305 O LEU A 64 -2.078 6.887 3.595 1.00 0.00 O ATOM 306 CB LEU A 64 -1.427 8.034 0.758 1.00 0.00 C ATOM 307 CG LEU A 64 0.098 8.162 0.739 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.629 8.015 -0.677 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.528 9.491 1.336 1.00 0.00 C ATOM 0 H LEU A 64 -3.875 7.257 1.836 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.568 5.916 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.805 8.238 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.832 8.804 1.414 1.00 0.00 H new ATOM 0 HG LEU A 64 0.518 7.360 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.715 8.109 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.352 7.037 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.202 8.794 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.615 9.565 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.097 10.307 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.180 9.556 2.367 1.00 0.00 H new ATOM 321 N ASP A 65 -0.501 5.522 2.755 1.00 0.00 N ATOM 322 CA ASP A 65 0.010 5.135 4.068 1.00 0.00 C ATOM 323 C ASP A 65 1.443 4.598 3.997 1.00 0.00 C ATOM 324 O ASP A 65 1.748 3.715 3.186 1.00 0.00 O ATOM 325 CB ASP A 65 -0.916 4.081 4.693 1.00 0.00 C ATOM 326 CG ASP A 65 -1.721 4.619 5.861 1.00 0.00 C ATOM 327 OD1 ASP A 65 -1.145 5.346 6.694 1.00 0.00 O ATOM 328 OD2 ASP A 65 -2.928 4.296 5.950 1.00 0.00 O ATOM 0 H ASP A 65 -0.019 5.088 1.968 1.00 0.00 H new ATOM 0 HA ASP A 65 0.030 6.029 4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.598 3.706 3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.318 3.234 5.030 1.00 0.00 H new ATOM 333 N GLN A 66 2.306 5.134 4.867 1.00 0.00 N ATOM 334 CA GLN A 66 3.714 4.728 4.951 1.00 0.00 C ATOM 335 C GLN A 66 4.452 4.892 3.613 1.00 0.00 C ATOM 336 O GLN A 66 4.977 5.967 3.320 1.00 0.00 O ATOM 337 CB GLN A 66 3.816 3.285 5.456 1.00 0.00 C ATOM 338 CG GLN A 66 3.182 3.069 6.826 1.00 0.00 C ATOM 339 CD GLN A 66 2.280 1.849 6.868 1.00 0.00 C ATOM 340 OE1 GLN A 66 1.201 1.875 7.457 1.00 0.00 O ATOM 341 NE2 GLN A 66 2.715 0.769 6.246 1.00 0.00 N ATOM 0 H GLN A 66 2.048 5.862 5.533 1.00 0.00 H new ATOM 0 HA GLN A 66 4.205 5.392 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.337 2.622 4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.867 2.999 5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.969 2.960 7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.604 3.952 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.616 0.784 5.768 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.150 -0.080 6.244 1.00 0.00 H new ATOM 350 N ILE A 67 4.493 3.831 2.803 1.00 0.00 N ATOM 351 CA ILE A 67 5.171 3.885 1.507 1.00 0.00 C ATOM 352 C ILE A 67 4.291 4.554 0.452 1.00 0.00 C ATOM 353 O ILE A 67 3.131 4.174 0.268 1.00 0.00 O ATOM 354 CB ILE A 67 5.600 2.479 0.994 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.622 1.379 1.433 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.007 2.149 1.468 1.00 0.00 C ATOM 357 CD1 ILE A 67 4.623 0.178 0.511 1.00 0.00 C ATOM 0 H ILE A 67 4.067 2.930 3.020 1.00 0.00 H new ATOM 0 HA ILE A 67 6.072 4.478 1.666 1.00 0.00 H new ATOM 0 HB ILE A 67 5.585 2.514 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.879 1.055 2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.615 1.794 1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.293 1.163 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.704 2.894 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.034 2.153 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.911 -0.562 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.338 0.490 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.621 -0.260 0.485 1.00 0.00 H new ATOM 369 N GLY A 68 4.849 5.550 -0.250 1.00 0.00 N ATOM 370 CA GLY A 68 4.102 6.255 -1.291 1.00 0.00 C ATOM 371 C GLY A 68 3.791 5.370 -2.488 1.00 0.00 C ATOM 372 O GLY A 68 4.189 5.667 -3.613 1.00 0.00 O ATOM 0 H GLY A 68 5.805 5.880 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.170 6.633 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.676 7.120 -1.623 1.00 0.00 H new ATOM 376 N THR A 69 3.090 4.274 -2.229 1.00 0.00 N ATOM 377 CA THR A 69 2.723 3.306 -3.263 1.00 0.00 C ATOM 378 C THR A 69 1.264 3.442 -3.701 1.00 0.00 C ATOM 379 O THR A 69 0.846 2.823 -4.686 1.00 0.00 O ATOM 380 CB THR A 69 2.963 1.895 -2.729 1.00 0.00 C ATOM 381 OG1 THR A 69 2.831 0.938 -3.761 1.00 0.00 O ATOM 382 CG2 THR A 69 2.000 1.506 -1.624 1.00 0.00 C ATOM 0 H THR A 69 2.758 4.028 -1.297 1.00 0.00 H new ATOM 0 HA THR A 69 3.343 3.503 -4.137 1.00 0.00 H new ATOM 0 HB THR A 69 3.976 1.906 -2.327 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.675 0.450 -3.865 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.222 0.493 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.106 2.198 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.978 1.547 -2.001 1.00 0.00 H new ATOM 390 N CYS A 70 0.502 4.238 -2.955 1.00 0.00 N ATOM 391 CA CYS A 70 -0.916 4.458 -3.228 1.00 0.00 C ATOM 392 C CYS A 70 -1.718 3.175 -2.998 1.00 0.00 C ATOM 393 O CYS A 70 -1.518 2.175 -3.686 1.00 0.00 O ATOM 394 CB CYS A 70 -1.115 4.959 -4.656 1.00 0.00 C ATOM 395 SG CYS A 70 -2.725 5.766 -4.941 1.00 0.00 S ATOM 0 H CYS A 70 0.850 4.749 -2.144 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.281 5.219 -2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.319 5.664 -4.897 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.015 4.118 -5.342 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.801 6.159 -6.178 1.00 0.00 H new ATOM 400 N TRP A 71 -2.620 3.209 -2.023 1.00 0.00 N ATOM 401 CA TRP A 71 -3.445 2.048 -1.696 1.00 0.00 C ATOM 402 C TRP A 71 -4.878 2.238 -2.207 1.00 0.00 C ATOM 403 O TRP A 71 -5.729 2.772 -1.495 1.00 0.00 O ATOM 404 CB TRP A 71 -3.435 1.818 -0.178 1.00 0.00 C ATOM 405 CG TRP A 71 -2.053 1.835 0.418 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.461 2.863 1.101 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.092 0.776 0.379 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.189 2.503 1.490 1.00 0.00 N ATOM 409 CE2 TRP A 71 0.056 1.227 1.058 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.092 -0.513 -0.164 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.189 0.434 1.208 1.00 0.00 C ATOM 412 CZ3 TRP A 71 0.035 -1.299 -0.014 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.162 -0.823 0.668 1.00 0.00 C ATOM 0 H TRP A 71 -2.800 4.029 -1.443 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.029 1.169 -2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.040 2.587 0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.905 0.859 0.040 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.924 3.817 1.305 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.462 3.089 2.013 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.957 -0.887 -0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.060 0.798 1.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.047 -2.296 -0.429 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.027 -1.461 0.770 1.00 0.00 H new ATOM 424 N PRO A 72 -5.153 1.822 -3.468 1.00 0.00 N ATOM 425 CA PRO A 72 -6.481 1.964 -4.099 1.00 0.00 C ATOM 426 C PRO A 72 -7.477 0.857 -3.719 1.00 0.00 C ATOM 427 O PRO A 72 -7.304 0.156 -2.721 1.00 0.00 O ATOM 428 CB PRO A 72 -6.133 1.889 -5.584 1.00 0.00 C ATOM 429 CG PRO A 72 -4.995 0.939 -5.635 1.00 0.00 C ATOM 430 CD PRO A 72 -4.182 1.200 -4.393 1.00 0.00 C ATOM 0 HA PRO A 72 -6.986 2.877 -3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.977 1.534 -6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.856 2.866 -5.980 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.348 -0.092 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.397 1.094 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.770 0.278 -3.982 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.340 1.862 -4.596 1.00 0.00 H new ATOM 438 N GLN A 73 -8.532 0.722 -4.530 1.00 0.00 N ATOM 439 CA GLN A 73 -9.576 -0.283 -4.305 1.00 0.00 C ATOM 440 C GLN A 73 -9.062 -1.704 -4.571 1.00 0.00 C ATOM 441 O GLN A 73 -8.339 -1.949 -5.540 1.00 0.00 O ATOM 442 CB GLN A 73 -10.790 0.021 -5.197 1.00 0.00 C ATOM 443 CG GLN A 73 -11.689 -1.184 -5.477 1.00 0.00 C ATOM 444 CD GLN A 73 -11.672 -1.613 -6.936 1.00 0.00 C ATOM 445 OE1 GLN A 73 -12.716 -1.723 -7.572 1.00 0.00 O ATOM 446 NE2 GLN A 73 -10.485 -1.861 -7.473 1.00 0.00 N ATOM 0 H GLN A 73 -8.686 1.302 -5.355 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.873 -0.233 -3.257 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.386 0.801 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.436 0.422 -6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.370 -2.020 -4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.712 -0.942 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.640 -1.758 -6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.417 -2.155 -8.448 1.00 0.00 H new ATOM 455 N SER A 74 -9.465 -2.637 -3.710 1.00 0.00 N ATOM 456 CA SER A 74 -9.075 -4.042 -3.838 1.00 0.00 C ATOM 457 C SER A 74 -10.250 -4.962 -3.484 1.00 0.00 C ATOM 458 O SER A 74 -10.921 -5.490 -4.370 1.00 0.00 O ATOM 459 CB SER A 74 -7.874 -4.340 -2.930 1.00 0.00 C ATOM 460 OG SER A 74 -7.637 -5.737 -2.835 1.00 0.00 O ATOM 0 H SER A 74 -10.067 -2.444 -2.909 1.00 0.00 H new ATOM 0 HA SER A 74 -8.791 -4.231 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.986 -3.844 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.056 -3.931 -1.936 1.00 0.00 H new ATOM 0 HG SER A 74 -6.866 -5.899 -2.252 1.00 0.00 H new ATOM 466 N ALA A 75 -10.485 -5.130 -2.181 1.00 0.00 N ATOM 467 CA ALA A 75 -11.570 -5.968 -1.669 1.00 0.00 C ATOM 468 C ALA A 75 -11.503 -6.040 -0.141 1.00 0.00 C ATOM 469 O ALA A 75 -10.414 -6.024 0.435 1.00 0.00 O ATOM 470 CB ALA A 75 -11.499 -7.366 -2.276 1.00 0.00 C ATOM 0 H ALA A 75 -9.927 -4.688 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.522 -5.521 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.314 -7.975 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.587 -7.297 -3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.545 -7.826 -2.018 1.00 0.00 H new ATOM 476 N PRO A 76 -12.662 -6.122 0.542 1.00 0.00 N ATOM 477 CA PRO A 76 -12.700 -6.197 2.007 1.00 0.00 C ATOM 478 C PRO A 76 -12.163 -7.532 2.519 1.00 0.00 C ATOM 479 O PRO A 76 -12.760 -8.585 2.288 1.00 0.00 O ATOM 480 CB PRO A 76 -14.189 -6.033 2.326 1.00 0.00 C ATOM 481 CG PRO A 76 -14.887 -6.544 1.113 1.00 0.00 C ATOM 482 CD PRO A 76 -14.015 -6.158 -0.049 1.00 0.00 C ATOM 0 HA PRO A 76 -12.074 -5.444 2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.470 -6.599 3.214 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.441 -4.990 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.018 -7.625 1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.881 -6.106 1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.081 -6.883 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.300 -5.190 -0.462 1.00 0.00 H new ATOM 490 N GLY A 77 -11.017 -7.481 3.195 1.00 0.00 N ATOM 491 CA GLY A 77 -10.393 -8.689 3.712 1.00 0.00 C ATOM 492 C GLY A 77 -9.443 -9.308 2.705 1.00 0.00 C ATOM 493 O GLY A 77 -9.597 -10.472 2.330 1.00 0.00 O ATOM 0 H GLY A 77 -10.507 -6.620 3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.850 -8.454 4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.165 -9.412 3.976 1.00 0.00 H new ATOM 497 N ALA A 78 -8.461 -8.525 2.256 1.00 0.00 N ATOM 498 CA ALA A 78 -7.488 -8.993 1.277 1.00 0.00 C ATOM 499 C ALA A 78 -6.120 -8.344 1.489 1.00 0.00 C ATOM 500 O ALA A 78 -6.015 -7.131 1.696 1.00 0.00 O ATOM 501 CB ALA A 78 -7.992 -8.716 -0.135 1.00 0.00 C ATOM 0 H ALA A 78 -8.321 -7.561 2.558 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.368 -10.068 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.258 -9.069 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.937 -9.236 -0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.142 -7.644 -0.264 1.00 0.00 H new ATOM 507 N LEU A 79 -5.076 -9.164 1.425 1.00 0.00 N ATOM 508 CA LEU A 79 -3.704 -8.685 1.593 1.00 0.00 C ATOM 509 C LEU A 79 -3.093 -8.322 0.239 1.00 0.00 C ATOM 510 O LEU A 79 -2.894 -9.186 -0.617 1.00 0.00 O ATOM 511 CB LEU A 79 -2.845 -9.741 2.299 1.00 0.00 C ATOM 512 CG LEU A 79 -1.697 -9.185 3.144 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.710 -9.799 4.534 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.360 -9.440 2.466 1.00 0.00 C ATOM 0 H LEU A 79 -5.152 -10.167 1.257 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.729 -7.789 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.490 -10.342 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.430 -10.412 1.547 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.836 -8.108 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.886 -9.391 5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.655 -9.567 5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.598 -10.880 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.443 -9.037 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.216 -10.513 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.348 -8.953 1.491 1.00 0.00 H new ATOM 526 N VAL A 80 -2.804 -7.037 0.050 1.00 0.00 N ATOM 527 CA VAL A 80 -2.225 -6.557 -1.203 1.00 0.00 C ATOM 528 C VAL A 80 -0.702 -6.542 -1.153 1.00 0.00 C ATOM 529 O VAL A 80 -0.095 -6.051 -0.192 1.00 0.00 O ATOM 530 CB VAL A 80 -2.742 -5.142 -1.554 1.00 0.00 C ATOM 531 CG1 VAL A 80 -2.096 -4.625 -2.834 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.259 -5.144 -1.687 1.00 0.00 C ATOM 0 H VAL A 80 -2.961 -6.310 0.748 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.540 -7.255 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.465 -4.472 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.477 -3.629 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.015 -4.579 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.333 -5.297 -3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.604 -4.140 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.554 -5.834 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.706 -5.460 -0.745 1.00 0.00 H new ATOM 542 N GLU A 81 -0.092 -7.080 -2.209 1.00 0.00 N ATOM 543 CA GLU A 81 1.362 -7.133 -2.318 1.00 0.00 C ATOM 544 C GLU A 81 1.931 -5.752 -2.651 1.00 0.00 C ATOM 545 O GLU A 81 1.365 -5.017 -3.469 1.00 0.00 O ATOM 546 CB GLU A 81 1.775 -8.156 -3.384 1.00 0.00 C ATOM 547 CG GLU A 81 3.181 -8.703 -3.189 1.00 0.00 C ATOM 548 CD GLU A 81 3.234 -10.220 -3.149 1.00 0.00 C ATOM 549 OE1 GLU A 81 2.793 -10.803 -2.136 1.00 0.00 O ATOM 550 OE2 GLU A 81 3.721 -10.825 -4.127 1.00 0.00 O ATOM 0 H GLU A 81 -0.587 -7.486 -3.003 1.00 0.00 H new ATOM 0 HA GLU A 81 1.770 -7.445 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.067 -8.985 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.708 -7.691 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.818 -8.345 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.592 -8.307 -2.260 1.00 0.00 H new ATOM 557 N ARG A 82 3.040 -5.393 -2.003 1.00 0.00 N ATOM 558 CA ARG A 82 3.666 -4.090 -2.224 1.00 0.00 C ATOM 559 C ARG A 82 5.156 -4.099 -1.868 1.00 0.00 C ATOM 560 O ARG A 82 5.560 -4.679 -0.857 1.00 0.00 O ATOM 561 CB ARG A 82 2.945 -3.025 -1.397 1.00 0.00 C ATOM 562 CG ARG A 82 2.640 -1.758 -2.176 1.00 0.00 C ATOM 563 CD ARG A 82 1.662 -2.021 -3.310 1.00 0.00 C ATOM 564 NE ARG A 82 1.254 -0.777 -3.964 1.00 0.00 N ATOM 565 CZ ARG A 82 0.223 -0.661 -4.786 1.00 0.00 C ATOM 566 NH1 ARG A 82 -0.461 -1.728 -5.156 1.00 0.00 N ATOM 567 NH2 ARG A 82 -0.105 0.522 -5.264 1.00 0.00 N ATOM 0 H ARG A 82 3.521 -5.983 -1.324 1.00 0.00 H new ATOM 0 HA ARG A 82 3.582 -3.860 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.012 -3.441 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.558 -2.772 -0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.225 -1.007 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.565 -1.347 -2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.122 -2.685 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.783 -2.535 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 82 1.804 0.061 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.196 -2.650 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.254 -1.631 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.435 1.346 -5.001 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -0.899 0.614 -5.898 1.00 0.00 H new ATOM 581 N PRO A 83 5.994 -3.447 -2.698 1.00 0.00 N ATOM 582 CA PRO A 83 7.442 -3.377 -2.462 1.00 0.00 C ATOM 583 C PRO A 83 7.813 -2.452 -1.297 1.00 0.00 C ATOM 584 O PRO A 83 7.080 -1.516 -0.966 1.00 0.00 O ATOM 585 CB PRO A 83 7.984 -2.825 -3.782 1.00 0.00 C ATOM 586 CG PRO A 83 6.863 -2.021 -4.342 1.00 0.00 C ATOM 587 CD PRO A 83 5.600 -2.724 -3.925 1.00 0.00 C ATOM 0 HA PRO A 83 7.854 -4.347 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.870 -2.211 -3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.272 -3.629 -4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.886 -1.000 -3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.933 -1.957 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.793 -2.017 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.248 -3.408 -4.698 1.00 0.00 H new ATOM 595 N CYS A 84 8.969 -2.723 -0.692 1.00 0.00 N ATOM 596 CA CYS A 84 9.476 -1.926 0.434 1.00 0.00 C ATOM 597 C CYS A 84 9.949 -0.547 -0.042 1.00 0.00 C ATOM 598 O CYS A 84 10.255 -0.370 -1.221 1.00 0.00 O ATOM 599 CB CYS A 84 10.646 -2.664 1.100 1.00 0.00 C ATOM 600 SG CYS A 84 10.585 -2.726 2.919 1.00 0.00 S ATOM 0 H CYS A 84 9.579 -3.494 -0.963 1.00 0.00 H new ATOM 0 HA CYS A 84 8.667 -1.788 1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.676 -3.684 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.577 -2.183 0.799 1.00 0.00 H new ATOM 605 N PRO A 85 10.041 0.449 0.869 1.00 0.00 N ATOM 606 CA PRO A 85 10.511 1.801 0.513 1.00 0.00 C ATOM 607 C PRO A 85 11.934 1.775 -0.056 1.00 0.00 C ATOM 608 O PRO A 85 12.323 2.647 -0.841 1.00 0.00 O ATOM 609 CB PRO A 85 10.475 2.563 1.847 1.00 0.00 C ATOM 610 CG PRO A 85 10.472 1.504 2.897 1.00 0.00 C ATOM 611 CD PRO A 85 9.726 0.342 2.305 1.00 0.00 C ATOM 0 HA PRO A 85 9.896 2.260 -0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.340 3.219 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.588 3.192 1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.489 1.219 3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.987 1.857 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 85 10.060 -0.608 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.654 0.413 2.490 1.00 0.00 H new ATOM 619 N GLU A 86 12.699 0.751 0.350 1.00 0.00 N ATOM 620 CA GLU A 86 14.079 0.559 -0.096 1.00 0.00 C ATOM 621 C GLU A 86 14.206 0.715 -1.610 1.00 0.00 C ATOM 622 O GLU A 86 13.357 0.238 -2.366 1.00 0.00 O ATOM 623 CB GLU A 86 14.573 -0.821 0.342 1.00 0.00 C ATOM 624 CG GLU A 86 15.853 -0.763 1.158 1.00 0.00 C ATOM 625 CD GLU A 86 15.618 -1.045 2.632 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.724 -0.404 3.226 1.00 0.00 O ATOM 627 OE2 GLU A 86 16.331 -1.899 3.193 1.00 0.00 O ATOM 0 H GLU A 86 12.374 0.034 0.998 1.00 0.00 H new ATOM 0 HA GLU A 86 14.698 1.329 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.796 -1.309 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.739 -1.438 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.565 -1.487 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.306 0.222 1.048 1.00 0.00 H new ATOM 634 N TYR A 87 15.267 1.413 -2.033 1.00 0.00 N ATOM 635 CA TYR A 87 15.531 1.679 -3.456 1.00 0.00 C ATOM 636 C TYR A 87 14.861 2.982 -3.913 1.00 0.00 C ATOM 637 O TYR A 87 15.228 3.543 -4.947 1.00 0.00 O ATOM 638 CB TYR A 87 15.075 0.510 -4.340 1.00 0.00 C ATOM 639 CG TYR A 87 15.777 0.454 -5.679 1.00 0.00 C ATOM 640 CD1 TYR A 87 17.140 0.197 -5.761 1.00 0.00 C ATOM 641 CD2 TYR A 87 15.076 0.660 -6.861 1.00 0.00 C ATOM 642 CE1 TYR A 87 17.784 0.147 -6.984 1.00 0.00 C ATOM 643 CE2 TYR A 87 15.714 0.612 -8.086 1.00 0.00 C ATOM 644 CZ TYR A 87 17.067 0.354 -8.142 1.00 0.00 C ATOM 645 OH TYR A 87 17.702 0.305 -9.360 1.00 0.00 O ATOM 0 H TYR A 87 15.965 1.809 -1.403 1.00 0.00 H new ATOM 0 HA TYR A 87 16.610 1.789 -3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.249 -0.426 -3.809 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.000 0.588 -4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.705 0.034 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.016 0.861 -6.822 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.844 -0.053 -7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.155 0.776 -8.995 1.00 0.00 H new ATOM 0 HH TYR A 87 17.052 0.471 -10.075 1.00 0.00 H new ATOM 655 N PHE A 88 13.895 3.474 -3.133 1.00 0.00 N ATOM 656 CA PHE A 88 13.202 4.720 -3.458 1.00 0.00 C ATOM 657 C PHE A 88 13.561 5.831 -2.465 1.00 0.00 C ATOM 658 O PHE A 88 13.218 6.995 -2.670 1.00 0.00 O ATOM 659 CB PHE A 88 11.687 4.500 -3.484 1.00 0.00 C ATOM 660 CG PHE A 88 11.084 4.673 -4.849 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.281 5.844 -5.563 1.00 0.00 C ATOM 662 CD2 PHE A 88 10.326 3.663 -5.418 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.732 6.006 -6.820 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.773 3.820 -6.676 1.00 0.00 C ATOM 665 CZ PHE A 88 9.977 4.993 -7.377 1.00 0.00 C ATOM 0 H PHE A 88 13.576 3.028 -2.273 1.00 0.00 H new ATOM 0 HA PHE A 88 13.529 5.035 -4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.467 3.496 -3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.214 5.199 -2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.871 6.639 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.165 2.744 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.893 6.924 -7.366 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.182 3.027 -7.110 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.546 5.117 -8.360 1.00 0.00 H new ATOM 675 N ASN A 89 14.262 5.459 -1.400 1.00 0.00 N ATOM 676 CA ASN A 89 14.690 6.402 -0.375 1.00 0.00 C ATOM 677 C ASN A 89 16.221 6.458 -0.320 1.00 0.00 C ATOM 678 O ASN A 89 16.897 5.890 -1.179 1.00 0.00 O ATOM 679 CB ASN A 89 14.113 5.983 0.984 1.00 0.00 C ATOM 680 CG ASN A 89 12.622 6.244 1.087 1.00 0.00 C ATOM 681 OD1 ASN A 89 11.812 5.327 0.992 1.00 0.00 O ATOM 682 ND2 ASN A 89 12.250 7.500 1.281 1.00 0.00 N ATOM 0 H ASN A 89 14.549 4.496 -1.223 1.00 0.00 H new ATOM 0 HA ASN A 89 14.319 7.397 -0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.305 4.922 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.629 6.524 1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.260 7.733 1.357 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.954 8.235 1.355 1.00 0.00 H new ATOM 689 N GLY A 90 16.763 7.136 0.691 1.00 0.00 N ATOM 690 CA GLY A 90 18.212 7.236 0.829 1.00 0.00 C ATOM 691 C GLY A 90 18.914 5.882 0.828 1.00 0.00 C ATOM 692 O GLY A 90 20.096 5.792 0.483 1.00 0.00 O ATOM 0 H GLY A 90 16.229 7.617 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.606 7.842 0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.446 7.758 1.757 1.00 0.00 H new ATOM 696 N ILE A 91 18.189 4.823 1.204 1.00 0.00 N ATOM 697 CA ILE A 91 18.755 3.474 1.238 1.00 0.00 C ATOM 698 C ILE A 91 18.248 2.652 0.045 1.00 0.00 C ATOM 699 O ILE A 91 17.051 2.643 -0.263 1.00 0.00 O ATOM 700 CB ILE A 91 18.475 2.763 2.602 1.00 0.00 C ATOM 701 CG1 ILE A 91 17.708 1.447 2.436 1.00 0.00 C ATOM 702 CG2 ILE A 91 17.725 3.678 3.560 1.00 0.00 C ATOM 703 CD1 ILE A 91 18.552 0.216 2.676 1.00 0.00 C ATOM 0 H ILE A 91 17.211 4.876 1.488 1.00 0.00 H new ATOM 0 HA ILE A 91 19.838 3.557 1.151 1.00 0.00 H new ATOM 0 HB ILE A 91 19.452 2.527 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 91 16.865 1.439 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 91 17.295 1.402 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.546 3.154 4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.320 4.571 3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 91 16.771 3.965 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 91 17.941 -0.676 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 91 19.381 0.199 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.944 0.236 3.693 1.00 0.00 H new ATOM 715 N LYS A 92 19.179 2.003 -0.652 1.00 0.00 N ATOM 716 CA LYS A 92 18.851 1.226 -1.839 1.00 0.00 C ATOM 717 C LYS A 92 19.803 0.034 -2.033 1.00 0.00 C ATOM 718 O LYS A 92 20.435 -0.110 -3.082 1.00 0.00 O ATOM 719 CB LYS A 92 18.915 2.155 -3.047 1.00 0.00 C ATOM 720 CG LYS A 92 20.287 2.786 -3.264 1.00 0.00 C ATOM 721 CD LYS A 92 20.545 3.959 -2.317 1.00 0.00 C ATOM 722 CE LYS A 92 21.842 3.768 -1.539 1.00 0.00 C ATOM 723 NZ LYS A 92 22.070 4.847 -0.525 1.00 0.00 N ATOM 0 H LYS A 92 20.170 2.002 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 92 17.850 0.811 -1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.637 1.595 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 92 18.176 2.947 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.059 2.030 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.367 3.131 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 92 20.594 4.886 -2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.712 4.057 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.821 2.801 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 92 22.680 3.747 -2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.537 4.444 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.675 5.587 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.157 5.261 -0.247 1.00 0.00 H new ATOM 737 N TYR A 93 19.892 -0.824 -1.022 1.00 0.00 N ATOM 738 CA TYR A 93 20.758 -2.007 -1.084 1.00 0.00 C ATOM 739 C TYR A 93 20.038 -3.218 -0.504 1.00 0.00 C ATOM 740 O TYR A 93 19.853 -4.230 -1.180 1.00 0.00 O ATOM 741 CB TYR A 93 22.086 -1.783 -0.334 1.00 0.00 C ATOM 742 CG TYR A 93 22.308 -0.364 0.147 1.00 0.00 C ATOM 743 CD1 TYR A 93 21.436 0.224 1.049 1.00 0.00 C ATOM 744 CD2 TYR A 93 23.382 0.387 -0.313 1.00 0.00 C ATOM 745 CE1 TYR A 93 21.622 1.518 1.478 1.00 0.00 C ATOM 746 CE2 TYR A 93 23.579 1.684 0.120 1.00 0.00 C ATOM 747 CZ TYR A 93 22.694 2.244 1.015 1.00 0.00 C ATOM 748 OH TYR A 93 22.872 3.546 1.434 1.00 0.00 O ATOM 0 H TYR A 93 19.377 -0.726 -0.147 1.00 0.00 H new ATOM 0 HA TYR A 93 20.990 -2.188 -2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 93 22.120 -2.453 0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 93 22.910 -2.063 -0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.596 -0.343 1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 93 24.073 -0.049 -1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 93 20.928 1.962 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 93 24.421 2.255 -0.241 1.00 0.00 H new ATOM 0 HH TYR A 93 23.827 3.765 1.425 1.00 0.00 H new ATOM 758 N ASN A 94 19.623 -3.096 0.751 1.00 0.00 N ATOM 759 CA ASN A 94 18.911 -4.166 1.452 1.00 0.00 C ATOM 760 C ASN A 94 17.451 -4.273 0.972 1.00 0.00 C ATOM 761 O ASN A 94 16.525 -4.405 1.774 1.00 0.00 O ATOM 762 CB ASN A 94 18.963 -3.904 2.966 1.00 0.00 C ATOM 763 CG ASN A 94 20.251 -3.236 3.406 1.00 0.00 C ATOM 764 OD1 ASN A 94 20.574 -2.135 2.962 1.00 0.00 O ATOM 765 ND2 ASN A 94 20.995 -3.897 4.279 1.00 0.00 N ATOM 0 H ASN A 94 19.768 -2.257 1.313 1.00 0.00 H new ATOM 0 HA ASN A 94 19.399 -5.115 1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.119 -3.276 3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.850 -4.849 3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 94 21.873 -3.495 4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 94 20.690 -4.808 4.622 1.00 0.00 H new ATOM 772 N THR A 95 17.257 -4.235 -0.349 1.00 0.00 N ATOM 773 CA THR A 95 15.924 -4.329 -0.953 1.00 0.00 C ATOM 774 C THR A 95 15.474 -5.788 -1.096 1.00 0.00 C ATOM 775 O THR A 95 14.982 -6.201 -2.146 1.00 0.00 O ATOM 776 CB THR A 95 15.927 -3.642 -2.330 1.00 0.00 C ATOM 777 OG1 THR A 95 16.975 -4.154 -3.139 1.00 0.00 O ATOM 778 CG2 THR A 95 16.099 -2.137 -2.265 1.00 0.00 C ATOM 0 H THR A 95 18.013 -4.139 -1.026 1.00 0.00 H new ATOM 0 HA THR A 95 15.218 -3.825 -0.294 1.00 0.00 H new ATOM 0 HB THR A 95 14.946 -3.856 -2.754 1.00 0.00 H new ATOM 0 HG1 THR A 95 16.962 -3.708 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.091 -1.726 -3.274 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.282 -1.702 -1.689 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.048 -1.900 -1.784 1.00 0.00 H new ATOM 786 N THR A 96 15.643 -6.565 -0.026 1.00 0.00 N ATOM 787 CA THR A 96 15.256 -7.982 -0.027 1.00 0.00 C ATOM 788 C THR A 96 13.927 -8.215 0.701 1.00 0.00 C ATOM 789 O THR A 96 13.601 -9.351 1.058 1.00 0.00 O ATOM 790 CB THR A 96 16.355 -8.835 0.623 1.00 0.00 C ATOM 791 OG1 THR A 96 16.774 -8.266 1.859 1.00 0.00 O ATOM 792 CG2 THR A 96 17.582 -9.000 -0.246 1.00 0.00 C ATOM 0 H THR A 96 16.045 -6.240 0.854 1.00 0.00 H new ATOM 0 HA THR A 96 15.126 -8.280 -1.067 1.00 0.00 H new ATOM 0 HB THR A 96 15.903 -9.816 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 96 17.747 -8.350 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 96 18.317 -9.613 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 96 17.303 -9.485 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 96 18.011 -8.021 -0.459 1.00 0.00 H new ATOM 800 N ARG A 97 13.164 -7.144 0.923 1.00 0.00 N ATOM 801 CA ARG A 97 11.878 -7.247 1.615 1.00 0.00 C ATOM 802 C ARG A 97 10.801 -6.417 0.912 1.00 0.00 C ATOM 803 O ARG A 97 11.093 -5.629 0.009 1.00 0.00 O ATOM 804 CB ARG A 97 12.011 -6.800 3.082 1.00 0.00 C ATOM 805 CG ARG A 97 13.448 -6.691 3.579 1.00 0.00 C ATOM 806 CD ARG A 97 14.024 -8.054 3.926 1.00 0.00 C ATOM 807 NE ARG A 97 15.491 -8.053 3.901 1.00 0.00 N ATOM 808 CZ ARG A 97 16.262 -7.807 4.954 1.00 0.00 C ATOM 809 NH1 ARG A 97 15.743 -7.418 6.098 1.00 0.00 N ATOM 810 NH2 ARG A 97 17.567 -7.912 4.847 1.00 0.00 N ATOM 0 H ARG A 97 13.413 -6.198 0.635 1.00 0.00 H new ATOM 0 HA ARG A 97 11.575 -8.294 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.524 -5.832 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.473 -7.506 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.064 -6.219 2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.482 -6.046 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.678 -8.352 4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.650 -8.796 3.221 1.00 0.00 H new ATOM 0 HE ARG A 97 15.951 -8.255 3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.734 -7.301 6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.350 -7.233 6.897 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.986 -8.182 3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 97 18.162 -7.724 5.654 1.00 0.00 H new ATOM 824 N ASN A 98 9.556 -6.598 1.339 1.00 0.00 N ATOM 825 CA ASN A 98 8.425 -5.874 0.761 1.00 0.00 C ATOM 826 C ASN A 98 7.675 -5.070 1.828 1.00 0.00 C ATOM 827 O ASN A 98 8.035 -5.091 3.003 1.00 0.00 O ATOM 828 CB ASN A 98 7.470 -6.863 0.091 1.00 0.00 C ATOM 829 CG ASN A 98 7.956 -7.322 -1.267 1.00 0.00 C ATOM 830 OD1 ASN A 98 8.288 -6.513 -2.128 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.998 -8.631 -1.467 1.00 0.00 N ATOM 0 H ASN A 98 9.302 -7.243 2.087 1.00 0.00 H new ATOM 0 HA ASN A 98 8.811 -5.174 0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.341 -7.731 0.738 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.490 -6.398 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.315 -9.000 -2.363 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.713 -9.270 -0.725 1.00 0.00 H new ATOM 838 N ALA A 99 6.619 -4.377 1.409 1.00 0.00 N ATOM 839 CA ALA A 99 5.801 -3.580 2.322 1.00 0.00 C ATOM 840 C ALA A 99 4.310 -3.805 2.043 1.00 0.00 C ATOM 841 O ALA A 99 3.550 -2.859 1.814 1.00 0.00 O ATOM 842 CB ALA A 99 6.174 -2.109 2.209 1.00 0.00 C ATOM 0 H ALA A 99 6.308 -4.351 0.438 1.00 0.00 H new ATOM 0 HA ALA A 99 5.996 -3.899 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.559 -1.524 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.225 -1.980 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.005 -1.768 1.188 1.00 0.00 H new ATOM 848 N TYR A 100 3.910 -5.078 2.056 1.00 0.00 N ATOM 849 CA TYR A 100 2.516 -5.479 1.797 1.00 0.00 C ATOM 850 C TYR A 100 1.533 -4.762 2.726 1.00 0.00 C ATOM 851 O TYR A 100 1.911 -4.259 3.785 1.00 0.00 O ATOM 852 CB TYR A 100 2.340 -7.003 1.956 1.00 0.00 C ATOM 853 CG TYR A 100 3.570 -7.823 1.621 1.00 0.00 C ATOM 854 CD1 TYR A 100 3.890 -8.128 0.306 1.00 0.00 C ATOM 855 CD2 TYR A 100 4.413 -8.285 2.623 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.010 -8.868 -0.002 1.00 0.00 C ATOM 857 CE2 TYR A 100 5.541 -9.025 2.321 1.00 0.00 C ATOM 858 CZ TYR A 100 5.832 -9.313 1.007 1.00 0.00 C ATOM 859 OH TYR A 100 6.959 -10.037 0.698 1.00 0.00 O ATOM 0 H TYR A 100 4.536 -5.861 2.245 1.00 0.00 H new ATOM 0 HA TYR A 100 2.296 -5.192 0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.048 -7.216 2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.519 -7.328 1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.249 -7.779 -0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.184 -8.063 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.242 -9.098 -1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.189 -9.375 3.111 1.00 0.00 H new ATOM 0 HH TYR A 100 7.431 -10.275 1.523 1.00 0.00 H new ATOM 869 N ARG A 101 0.264 -4.734 2.322 1.00 0.00 N ATOM 870 CA ARG A 101 -0.785 -4.094 3.118 1.00 0.00 C ATOM 871 C ARG A 101 -2.117 -4.835 2.967 1.00 0.00 C ATOM 872 O ARG A 101 -2.526 -5.183 1.856 1.00 0.00 O ATOM 873 CB ARG A 101 -0.940 -2.631 2.703 1.00 0.00 C ATOM 874 CG ARG A 101 -1.378 -1.708 3.830 1.00 0.00 C ATOM 875 CD ARG A 101 -1.188 -0.251 3.439 1.00 0.00 C ATOM 876 NE ARG A 101 -1.848 0.680 4.361 1.00 0.00 N ATOM 877 CZ ARG A 101 -1.471 0.894 5.617 1.00 0.00 C ATOM 878 NH1 ARG A 101 -0.450 0.240 6.131 1.00 0.00 N ATOM 879 NH2 ARG A 101 -2.112 1.775 6.358 1.00 0.00 N ATOM 0 H ARG A 101 -0.064 -5.147 1.449 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.493 -4.136 4.167 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.010 -2.275 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.668 -2.569 1.894 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.425 -1.891 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.802 -1.926 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.122 -0.026 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.579 -0.096 2.433 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.654 1.200 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.059 -0.438 5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.168 0.411 7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.899 2.294 5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.822 1.938 7.322 1.00 0.00 H new ATOM 893 N GLU A 102 -2.781 -5.079 4.093 1.00 0.00 N ATOM 894 CA GLU A 102 -4.061 -5.785 4.094 1.00 0.00 C ATOM 895 C GLU A 102 -5.236 -4.806 4.076 1.00 0.00 C ATOM 896 O GLU A 102 -5.170 -3.732 4.677 1.00 0.00 O ATOM 897 CB GLU A 102 -4.142 -6.701 5.319 1.00 0.00 C ATOM 898 CG GLU A 102 -5.244 -7.748 5.236 1.00 0.00 C ATOM 899 CD GLU A 102 -6.604 -7.205 5.620 1.00 0.00 C ATOM 900 OE1 GLU A 102 -6.670 -6.338 6.516 1.00 0.00 O ATOM 901 OE2 GLU A 102 -7.602 -7.642 5.019 1.00 0.00 O ATOM 0 H GLU A 102 -2.455 -4.799 5.018 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.124 -6.389 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.184 -7.205 5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.301 -6.090 6.207 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.289 -8.141 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.994 -8.583 5.890 1.00 0.00 H new ATOM 908 N CYS A 103 -6.309 -5.180 3.375 1.00 0.00 N ATOM 909 CA CYS A 103 -7.499 -4.332 3.274 1.00 0.00 C ATOM 910 C CYS A 103 -8.619 -4.830 4.190 1.00 0.00 C ATOM 911 O CYS A 103 -9.493 -5.587 3.760 1.00 0.00 O ATOM 912 CB CYS A 103 -7.997 -4.269 1.829 1.00 0.00 C ATOM 913 SG CYS A 103 -9.595 -3.411 1.633 1.00 0.00 S ATOM 0 H CYS A 103 -6.378 -6.063 2.870 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.215 -3.330 3.596 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.248 -3.764 1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.091 -5.284 1.443 1.00 0.00 H new ATOM 918 N LEU A 104 -8.580 -4.391 5.449 1.00 0.00 N ATOM 919 CA LEU A 104 -9.578 -4.769 6.455 1.00 0.00 C ATOM 920 C LEU A 104 -10.987 -4.841 5.872 1.00 0.00 C ATOM 921 O LEU A 104 -11.453 -3.899 5.223 1.00 0.00 O ATOM 922 CB LEU A 104 -9.548 -3.773 7.623 1.00 0.00 C ATOM 923 CG LEU A 104 -9.427 -4.396 9.016 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.509 -5.441 9.239 1.00 0.00 C ATOM 925 CD2 LEU A 104 -8.048 -5.011 9.205 1.00 0.00 C ATOM 0 H LEU A 104 -7.857 -3.764 5.801 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.319 -5.766 6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.711 -3.091 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.457 -3.173 7.590 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.561 -3.605 9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.402 -5.869 10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.490 -4.974 9.148 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.412 -6.230 8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.979 -5.450 10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.889 -5.786 8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.287 -4.239 9.095 1.00 0.00 H new ATOM 937 N GLU A 105 -11.663 -5.968 6.126 1.00 0.00 N ATOM 938 CA GLU A 105 -13.034 -6.193 5.650 1.00 0.00 C ATOM 939 C GLU A 105 -13.924 -4.965 5.866 1.00 0.00 C ATOM 940 O GLU A 105 -14.861 -4.726 5.104 1.00 0.00 O ATOM 941 CB GLU A 105 -13.645 -7.404 6.364 1.00 0.00 C ATOM 942 CG GLU A 105 -13.700 -8.661 5.505 1.00 0.00 C ATOM 943 CD GLU A 105 -13.463 -9.930 6.300 1.00 0.00 C ATOM 944 OE1 GLU A 105 -14.179 -10.151 7.301 1.00 0.00 O ATOM 945 OE2 GLU A 105 -12.563 -10.707 5.921 1.00 0.00 O ATOM 0 H GLU A 105 -11.279 -6.745 6.664 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.981 -6.383 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.065 -7.615 7.263 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.655 -7.152 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.673 -8.720 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -12.952 -8.588 4.715 1.00 0.00 H new ATOM 952 N ASN A 106 -13.619 -4.185 6.907 1.00 0.00 N ATOM 953 CA ASN A 106 -14.387 -2.975 7.220 1.00 0.00 C ATOM 954 C ASN A 106 -14.230 -1.898 6.131 1.00 0.00 C ATOM 955 O ASN A 106 -15.033 -0.963 6.060 1.00 0.00 O ATOM 956 CB ASN A 106 -13.952 -2.417 8.582 1.00 0.00 C ATOM 957 CG ASN A 106 -15.103 -2.288 9.561 1.00 0.00 C ATOM 958 OD1 ASN A 106 -15.353 -1.214 10.098 1.00 0.00 O ATOM 959 ND2 ASN A 106 -15.809 -3.383 9.807 1.00 0.00 N ATOM 0 H ASN A 106 -12.847 -4.369 7.547 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.441 -3.251 7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.189 -3.068 9.009 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -13.492 -1.439 8.438 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.590 -3.350 10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -15.571 -4.259 9.341 1.00 0.00 H new ATOM 966 N GLY A 107 -13.203 -2.036 5.282 1.00 0.00 N ATOM 967 CA GLY A 107 -12.969 -1.071 4.212 1.00 0.00 C ATOM 968 C GLY A 107 -11.780 -0.156 4.477 1.00 0.00 C ATOM 969 O GLY A 107 -11.766 0.994 4.036 1.00 0.00 O ATOM 0 H GLY A 107 -12.529 -2.801 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.805 -1.607 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.864 -0.463 4.078 1.00 0.00 H new ATOM 973 N THR A 108 -10.786 -0.669 5.204 1.00 0.00 N ATOM 974 CA THR A 108 -9.586 0.089 5.545 1.00 0.00 C ATOM 975 C THR A 108 -8.328 -0.729 5.255 1.00 0.00 C ATOM 976 O THR A 108 -8.405 -1.829 4.710 1.00 0.00 O ATOM 977 CB THR A 108 -9.628 0.468 7.022 1.00 0.00 C ATOM 978 OG1 THR A 108 -9.703 -0.694 7.832 1.00 0.00 O ATOM 979 CG2 THR A 108 -10.797 1.359 7.384 1.00 0.00 C ATOM 0 H THR A 108 -10.792 -1.620 5.571 1.00 0.00 H new ATOM 0 HA THR A 108 -9.556 0.992 4.935 1.00 0.00 H new ATOM 0 HB THR A 108 -8.707 1.021 7.205 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.727 -0.433 8.776 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.764 1.588 8.449 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.740 2.285 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.731 0.846 7.152 1.00 0.00 H new ATOM 987 N TRP A 109 -7.169 -0.193 5.628 1.00 0.00 N ATOM 988 CA TRP A 109 -5.904 -0.890 5.406 1.00 0.00 C ATOM 989 C TRP A 109 -5.234 -1.245 6.735 1.00 0.00 C ATOM 990 O TRP A 109 -4.936 -0.370 7.548 1.00 0.00 O ATOM 991 CB TRP A 109 -4.980 -0.038 4.533 1.00 0.00 C ATOM 992 CG TRP A 109 -5.442 0.044 3.106 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.260 0.994 2.559 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.124 -0.867 2.051 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.463 0.729 1.225 1.00 0.00 N ATOM 996 CE2 TRP A 109 -5.774 -0.407 0.891 1.00 0.00 C ATOM 997 CE3 TRP A 109 -4.347 -2.027 1.973 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.671 -1.066 -0.330 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.247 -2.680 0.760 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -4.906 -2.198 -0.377 1.00 0.00 C ATOM 0 H TRP A 109 -7.079 0.716 6.082 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.109 -1.824 4.882 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -4.919 0.968 4.949 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -3.974 -0.456 4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.684 1.830 3.096 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.033 1.287 0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.835 -2.405 2.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.177 -0.696 -1.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.650 -3.577 0.688 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.808 -2.732 -1.311 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.016 -2.545 6.952 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.402 -3.036 8.184 1.00 0.00 C ATOM 1013 C ALA A 110 -2.922 -2.659 8.280 1.00 0.00 C ATOM 1014 O ALA A 110 -2.323 -2.173 7.318 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.575 -4.545 8.294 1.00 0.00 C ATOM 0 H ALA A 110 -5.258 -3.278 6.285 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.913 -2.555 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.113 -4.898 9.216 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.637 -4.790 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -4.099 -5.029 7.441 1.00 0.00 H new ATOM 1021 N SER A 111 -2.342 -2.885 9.457 1.00 0.00 N ATOM 1022 CA SER A 111 -0.936 -2.567 9.705 1.00 0.00 C ATOM 1023 C SER A 111 -0.040 -3.809 9.616 1.00 0.00 C ATOM 1024 O SER A 111 0.913 -3.954 10.385 1.00 0.00 O ATOM 1025 CB SER A 111 -0.787 -1.913 11.083 1.00 0.00 C ATOM 1026 OG SER A 111 -1.518 -2.627 12.067 1.00 0.00 O ATOM 0 H SER A 111 -2.827 -3.289 10.258 1.00 0.00 H new ATOM 0 HA SER A 111 -0.613 -1.873 8.929 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.266 -1.879 11.361 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.139 -0.882 11.040 1.00 0.00 H new ATOM 0 HG SER A 111 -1.406 -2.192 12.938 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.332 -4.698 8.666 1.00 0.00 N ATOM 1033 CA ARG A 112 0.472 -5.908 8.485 1.00 0.00 C ATOM 1034 C ARG A 112 1.489 -5.721 7.352 1.00 0.00 C ATOM 1035 O ARG A 112 1.514 -6.484 6.384 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.431 -7.119 8.216 1.00 0.00 C ATOM 1037 CG ARG A 112 0.201 -8.450 8.601 1.00 0.00 C ATOM 1038 CD ARG A 112 0.394 -8.567 10.106 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.877 -8.790 10.805 1.00 0.00 N ATOM 1040 CZ ARG A 112 -1.126 -8.417 12.056 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -0.194 -7.837 12.785 1.00 0.00 N ATOM 1042 NH2 ARG A 112 -2.316 -8.636 12.575 1.00 0.00 N ATOM 0 H ARG A 112 -1.112 -4.605 8.015 1.00 0.00 H new ATOM 0 HA ARG A 112 1.025 -6.093 9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.363 -6.996 8.768 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.688 -7.142 7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.429 -9.267 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.164 -8.554 8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.076 -9.389 10.322 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.861 -7.658 10.484 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.622 -9.265 10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.732 -7.669 12.390 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.398 -7.556 13.744 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.040 -9.089 12.018 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.514 -8.352 13.535 1.00 0.00 H new ATOM 1056 N VAL A 113 2.326 -4.693 7.489 1.00 0.00 N ATOM 1057 CA VAL A 113 3.356 -4.380 6.492 1.00 0.00 C ATOM 1058 C VAL A 113 4.736 -4.858 6.962 1.00 0.00 C ATOM 1059 O VAL A 113 5.033 -4.861 8.159 1.00 0.00 O ATOM 1060 CB VAL A 113 3.386 -2.864 6.190 1.00 0.00 C ATOM 1061 CG1 VAL A 113 1.968 -2.333 6.043 1.00 0.00 C ATOM 1062 CG2 VAL A 113 4.140 -2.099 7.269 1.00 0.00 C ATOM 0 H VAL A 113 2.312 -4.057 8.286 1.00 0.00 H new ATOM 0 HA VAL A 113 3.104 -4.910 5.573 1.00 0.00 H new ATOM 0 HB VAL A 113 3.917 -2.714 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.000 -1.264 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.469 -2.851 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.418 -2.503 6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.143 -1.036 7.027 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.651 -2.251 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.167 -2.462 7.322 1.00 0.00 H new ATOM 1072 N ASN A 114 5.575 -5.278 6.018 1.00 0.00 N ATOM 1073 CA ASN A 114 6.916 -5.776 6.345 1.00 0.00 C ATOM 1074 C ASN A 114 7.943 -4.637 6.446 1.00 0.00 C ATOM 1075 O ASN A 114 9.001 -4.681 5.814 1.00 0.00 O ATOM 1076 CB ASN A 114 7.354 -6.809 5.298 1.00 0.00 C ATOM 1077 CG ASN A 114 7.756 -8.132 5.921 1.00 0.00 C ATOM 1078 OD1 ASN A 114 7.135 -8.595 6.872 1.00 0.00 O ATOM 1079 ND2 ASN A 114 8.802 -8.747 5.391 1.00 0.00 N ATOM 0 H ASN A 114 5.354 -5.285 5.022 1.00 0.00 H new ATOM 0 HA ASN A 114 6.870 -6.251 7.325 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.539 -6.975 4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.193 -6.410 4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.117 -9.638 5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.292 -8.329 4.600 1.00 0.00 H new ATOM 1086 N TYR A 115 7.634 -3.625 7.262 1.00 0.00 N ATOM 1087 CA TYR A 115 8.538 -2.488 7.452 1.00 0.00 C ATOM 1088 C TYR A 115 9.722 -2.871 8.339 1.00 0.00 C ATOM 1089 O TYR A 115 10.875 -2.770 7.918 1.00 0.00 O ATOM 1090 CB TYR A 115 7.784 -1.295 8.050 1.00 0.00 C ATOM 1091 CG TYR A 115 7.631 -0.140 7.085 1.00 0.00 C ATOM 1092 CD1 TYR A 115 6.993 -0.311 5.864 1.00 0.00 C ATOM 1093 CD2 TYR A 115 8.128 1.119 7.395 1.00 0.00 C ATOM 1094 CE1 TYR A 115 6.856 0.739 4.978 1.00 0.00 C ATOM 1095 CE2 TYR A 115 7.994 2.175 6.515 1.00 0.00 C ATOM 1096 CZ TYR A 115 7.357 1.979 5.309 1.00 0.00 C ATOM 1097 OH TYR A 115 7.221 3.026 4.430 1.00 0.00 O ATOM 0 H TYR A 115 6.769 -3.570 7.799 1.00 0.00 H new ATOM 0 HA TYR A 115 8.926 -2.199 6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.796 -1.623 8.373 1.00 0.00 H new ATOM 0 HB3 TYR A 115 8.311 -0.949 8.939 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.597 -1.281 5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.628 1.275 8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.359 0.589 4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.386 3.148 6.771 1.00 0.00 H new ATOM 0 HH TYR A 115 7.627 3.831 4.815 1.00 0.00 H new ATOM 1107 N SER A 116 9.432 -3.327 9.561 1.00 0.00 N ATOM 1108 CA SER A 116 10.481 -3.741 10.499 1.00 0.00 C ATOM 1109 C SER A 116 11.432 -4.757 9.854 1.00 0.00 C ATOM 1110 O SER A 116 12.613 -4.812 10.193 1.00 0.00 O ATOM 1111 CB SER A 116 9.862 -4.336 11.766 1.00 0.00 C ATOM 1112 OG SER A 116 9.214 -3.336 12.536 1.00 0.00 O ATOM 0 H SER A 116 8.483 -3.419 9.924 1.00 0.00 H new ATOM 0 HA SER A 116 11.057 -2.855 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.146 -5.112 11.495 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.638 -4.814 12.364 1.00 0.00 H new ATOM 0 HG SER A 116 8.825 -3.742 13.339 1.00 0.00 H new ATOM 1118 N HIS A 117 10.908 -5.553 8.917 1.00 0.00 N ATOM 1119 CA HIS A 117 11.709 -6.560 8.219 1.00 0.00 C ATOM 1120 C HIS A 117 12.674 -5.931 7.200 1.00 0.00 C ATOM 1121 O HIS A 117 13.530 -6.628 6.649 1.00 0.00 O ATOM 1122 CB HIS A 117 10.795 -7.571 7.521 1.00 0.00 C ATOM 1123 CG HIS A 117 10.745 -8.902 8.205 1.00 0.00 C ATOM 1124 ND1 HIS A 117 11.870 -9.640 8.499 1.00 0.00 N ATOM 1125 CD2 HIS A 117 9.694 -9.628 8.654 1.00 0.00 C ATOM 1126 CE1 HIS A 117 11.516 -10.762 9.099 1.00 0.00 C ATOM 1127 NE2 HIS A 117 10.201 -10.781 9.204 1.00 0.00 N ATOM 0 H HIS A 117 9.931 -5.518 8.625 1.00 0.00 H new ATOM 0 HA HIS A 117 12.313 -7.071 8.969 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.787 -7.161 7.467 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.137 -7.711 6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.652 -9.352 8.592 1.00 0.00 H new ATOM 0 HE1 HIS A 117 12.189 -11.533 9.445 1.00 0.00 H new ATOM 0 HE2 HIS A 117 9.650 -11.529 9.625 1.00 0.00 H new ATOM 1136 N CYS A 118 12.542 -4.621 6.955 1.00 0.00 N ATOM 1137 CA CYS A 118 13.417 -3.916 6.014 1.00 0.00 C ATOM 1138 C CYS A 118 14.539 -3.207 6.771 1.00 0.00 C ATOM 1139 O CYS A 118 14.295 -2.241 7.494 1.00 0.00 O ATOM 1140 CB CYS A 118 12.615 -2.905 5.184 1.00 0.00 C ATOM 1141 SG CYS A 118 12.447 -3.359 3.427 1.00 0.00 S ATOM 0 H CYS A 118 11.838 -4.030 7.396 1.00 0.00 H new ATOM 0 HA CYS A 118 13.856 -4.647 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.621 -2.800 5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 118 13.097 -1.930 5.253 1.00 0.00 H new ATOM 1146 N GLU A 119 15.763 -3.710 6.621 1.00 0.00 N ATOM 1147 CA GLU A 119 16.918 -3.135 7.309 1.00 0.00 C ATOM 1148 C GLU A 119 17.638 -2.097 6.443 1.00 0.00 C ATOM 1149 O GLU A 119 18.390 -2.450 5.531 1.00 0.00 O ATOM 1150 CB GLU A 119 17.891 -4.246 7.720 1.00 0.00 C ATOM 1151 CG GLU A 119 17.449 -5.011 8.961 1.00 0.00 C ATOM 1152 CD GLU A 119 17.784 -6.487 8.899 1.00 0.00 C ATOM 1153 OE1 GLU A 119 17.411 -7.140 7.900 1.00 0.00 O ATOM 1154 OE2 GLU A 119 18.412 -6.993 9.850 1.00 0.00 O ATOM 0 H GLU A 119 15.981 -4.513 6.031 1.00 0.00 H new ATOM 0 HA GLU A 119 16.553 -2.624 8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 119 18.002 -4.946 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 119 18.873 -3.809 7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 119 17.924 -4.573 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 119 16.373 -4.894 9.089 1.00 0.00 H new