USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 41 CYS SG : rot -120:sc= -0.281 USER MOD Set 1.2: A 90 CYS SG : rot 170:sc= 0.0212 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 156:sc= 0.00224 USER MOD Single : A 28 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 164:sc= 0 (180deg=-0.318) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.0624 (180deg=-0.361) USER MOD Single : A 55 HIS : no HE2:sc= 0.0575 X(o=0.057,f=-0.35) USER MOD Single : A 57 THR OG1 : rot -66:sc= 0.18 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.4!) USER MOD Single : A 73 CYS SG : rot 43:sc= 0.23 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 45:sc= -1.37 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 110:sc= 0.0315 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 178:sc= -0.285 (180deg=-0.314) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -170:sc=-0.00119 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.480 17.649 -3.242 1.00 0.00 N ATOM 259 CA ILE A 20 -1.567 16.575 -3.613 1.00 0.00 C ATOM 260 C ILE A 20 -2.283 15.503 -4.428 1.00 0.00 C ATOM 261 O ILE A 20 -3.280 14.932 -3.984 1.00 0.00 O ATOM 262 CB ILE A 20 -0.931 15.921 -2.372 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.179 16.967 -1.547 1.00 0.00 C ATOM 264 CG2 ILE A 20 0.003 14.794 -2.787 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.389 16.424 -0.255 1.00 0.00 C ATOM 0 HA ILE A 20 -0.780 17.025 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.724 15.500 -1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.633 17.376 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.854 17.792 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.445 14.342 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.559 14.039 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.794 15.192 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.908 17.221 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.421 16.041 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.089 15.619 -0.476 1.00 0.00 H new ATOM 277 N LYS A 21 -1.767 15.232 -5.622 1.00 0.00 N ATOM 278 CA LYS A 21 -2.354 14.226 -6.499 1.00 0.00 C ATOM 279 C LYS A 21 -1.326 13.161 -6.870 1.00 0.00 C ATOM 280 O LYS A 21 -0.203 13.165 -6.365 1.00 0.00 O ATOM 281 CB LYS A 21 -2.903 14.883 -7.767 1.00 0.00 C ATOM 282 CG LYS A 21 -1.823 15.397 -8.704 1.00 0.00 C ATOM 283 CD LYS A 21 -2.103 16.822 -9.150 1.00 0.00 C ATOM 284 CE LYS A 21 -0.925 17.410 -9.911 1.00 0.00 C ATOM 285 NZ LYS A 21 -1.264 18.720 -10.532 1.00 0.00 N ATOM 0 H LYS A 21 -0.943 15.695 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.172 13.745 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.522 14.162 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.552 15.712 -7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.856 15.355 -8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.758 14.748 -9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.991 16.839 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.320 17.441 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.081 17.537 -9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.608 16.712 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.435 19.088 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.052 18.595 -11.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.542 19.394 -9.790 1.00 0.00 H new ATOM 299 N PHE A 22 -1.716 12.252 -7.757 1.00 0.00 N ATOM 300 CA PHE A 22 -0.828 11.182 -8.196 1.00 0.00 C ATOM 301 C PHE A 22 -0.292 11.460 -9.598 1.00 0.00 C ATOM 302 O PHE A 22 -1.059 11.682 -10.536 1.00 0.00 O ATOM 303 CB PHE A 22 -1.563 9.840 -8.177 1.00 0.00 C ATOM 304 CG PHE A 22 -1.427 9.101 -6.876 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.244 9.408 -5.800 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.481 8.099 -6.729 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.122 8.730 -4.602 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.354 7.417 -5.534 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.174 7.734 -4.469 1.00 0.00 C ATOM 0 H PHE A 22 -2.641 12.235 -8.186 1.00 0.00 H new ATOM 0 HA PHE A 22 0.014 11.138 -7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.620 10.011 -8.380 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.181 9.214 -8.983 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.986 10.187 -5.899 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.164 7.848 -7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.766 8.978 -3.772 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.386 6.637 -5.433 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.074 7.204 -3.533 1.00 0.00 H new ATOM 319 N THR A 23 1.030 11.449 -9.732 1.00 0.00 N ATOM 320 CA THR A 23 1.670 11.701 -11.017 1.00 0.00 C ATOM 321 C THR A 23 1.827 10.413 -11.816 1.00 0.00 C ATOM 322 O THR A 23 1.760 10.422 -13.045 1.00 0.00 O ATOM 323 CB THR A 23 3.055 12.352 -10.837 1.00 0.00 C ATOM 324 OG1 THR A 23 3.882 11.523 -10.013 1.00 0.00 O ATOM 325 CG2 THR A 23 2.927 13.732 -10.210 1.00 0.00 C ATOM 0 H THR A 23 1.679 11.268 -8.966 1.00 0.00 H new ATOM 0 HA THR A 23 1.022 12.387 -11.563 1.00 0.00 H new ATOM 0 HB THR A 23 3.513 12.458 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.825 11.711 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.917 14.172 -10.093 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.321 14.369 -10.854 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.451 13.645 -9.233 1.00 0.00 H new ATOM 333 N GLU A 24 2.034 9.306 -11.111 1.00 0.00 N ATOM 334 CA GLU A 24 2.200 8.009 -11.756 1.00 0.00 C ATOM 335 C GLU A 24 1.549 6.903 -10.931 1.00 0.00 C ATOM 336 O GLU A 24 2.196 6.275 -10.094 1.00 0.00 O ATOM 337 CB GLU A 24 3.685 7.701 -11.959 1.00 0.00 C ATOM 338 CG GLU A 24 4.164 7.922 -13.384 1.00 0.00 C ATOM 339 CD GLU A 24 4.960 6.748 -13.921 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.125 6.583 -13.504 1.00 0.00 O ATOM 341 OE2 GLU A 24 4.418 5.996 -14.757 1.00 0.00 O ATOM 0 H GLU A 24 2.091 9.281 -10.093 1.00 0.00 H new ATOM 0 HA GLU A 24 1.709 8.051 -12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.272 8.326 -11.286 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.874 6.665 -11.678 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.303 8.098 -14.029 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.780 8.821 -13.421 1.00 0.00 H new ATOM 348 N GLY A 25 0.262 6.671 -11.174 1.00 0.00 N ATOM 349 CA GLY A 25 -0.456 5.642 -10.446 1.00 0.00 C ATOM 350 C GLY A 25 0.240 4.297 -10.504 1.00 0.00 C ATOM 351 O GLY A 25 1.234 4.134 -11.213 1.00 0.00 O ATOM 0 H GLY A 25 -0.295 7.177 -11.862 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.565 5.947 -9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.461 5.545 -10.856 1.00 0.00 H new ATOM 355 N LEU A 26 -0.279 3.330 -9.755 1.00 0.00 N ATOM 356 CA LEU A 26 0.300 1.992 -9.722 1.00 0.00 C ATOM 357 C LEU A 26 0.165 1.307 -11.079 1.00 0.00 C ATOM 358 O LEU A 26 -0.592 1.756 -11.939 1.00 0.00 O ATOM 359 CB LEU A 26 -0.378 1.147 -8.642 1.00 0.00 C ATOM 360 CG LEU A 26 -0.261 1.670 -7.210 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.436 1.193 -6.370 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.056 1.229 -6.587 1.00 0.00 C ATOM 0 H LEU A 26 -1.100 3.448 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 26 1.360 2.088 -9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.436 1.057 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.044 0.143 -8.676 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.280 2.759 -7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.336 1.575 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.366 1.558 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.449 0.103 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.122 1.610 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.104 0.140 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.886 1.620 -7.175 1.00 0.00 H new ATOM 374 N ARG A 27 0.903 0.217 -11.261 1.00 0.00 N ATOM 375 CA ARG A 27 0.865 -0.531 -12.512 1.00 0.00 C ATOM 376 C ARG A 27 0.757 -2.030 -12.247 1.00 0.00 C ATOM 377 O ARG A 27 1.316 -2.540 -11.277 1.00 0.00 O ATOM 378 CB ARG A 27 2.115 -0.238 -13.344 1.00 0.00 C ATOM 379 CG ARG A 27 3.391 -0.808 -12.747 1.00 0.00 C ATOM 380 CD ARG A 27 4.623 -0.311 -13.488 1.00 0.00 C ATOM 381 NE ARG A 27 5.603 -1.374 -13.694 1.00 0.00 N ATOM 382 CZ ARG A 27 6.346 -1.888 -12.720 1.00 0.00 C ATOM 383 NH1 ARG A 27 6.220 -1.440 -11.479 1.00 0.00 N ATOM 384 NH2 ARG A 27 7.217 -2.853 -12.987 1.00 0.00 N ATOM 0 H ARG A 27 1.534 -0.168 -10.558 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.017 -0.214 -13.069 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.979 -0.646 -14.345 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.225 0.841 -13.452 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.459 -0.527 -11.696 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.357 -1.897 -12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.325 0.099 -14.453 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.082 0.501 -12.924 1.00 0.00 H new ATOM 0 HE ARG A 27 5.724 -1.742 -14.638 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.551 -0.699 -11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.792 -1.836 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.316 -3.201 -13.941 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.787 -3.247 -12.238 1.00 0.00 H new ATOM 398 N ASN A 28 0.034 -2.729 -13.115 1.00 0.00 N ATOM 399 CA ASN A 28 -0.149 -4.169 -12.974 1.00 0.00 C ATOM 400 C ASN A 28 1.197 -4.881 -12.886 1.00 0.00 C ATOM 401 O ASN A 28 1.978 -4.873 -13.836 1.00 0.00 O ATOM 402 CB ASN A 28 -0.953 -4.720 -14.153 1.00 0.00 C ATOM 403 CG ASN A 28 -2.205 -3.908 -14.429 1.00 0.00 C ATOM 404 OD1 ASN A 28 -2.690 -3.181 -13.562 1.00 0.00 O ATOM 405 ND2 ASN A 28 -2.733 -4.030 -15.641 1.00 0.00 N ATOM 0 H ASN A 28 -0.435 -2.322 -13.924 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.699 -4.352 -12.051 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.326 -4.730 -15.044 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.231 -5.754 -13.948 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.575 -3.509 -15.885 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.296 -4.645 -16.328 1.00 0.00 H new ATOM 412 N GLU A 29 1.461 -5.497 -11.737 1.00 0.00 N ATOM 413 CA GLU A 29 2.712 -6.214 -11.525 1.00 0.00 C ATOM 414 C GLU A 29 2.490 -7.723 -11.572 1.00 0.00 C ATOM 415 O GLU A 29 1.369 -8.200 -11.398 1.00 0.00 O ATOM 416 CB GLU A 29 3.330 -5.820 -10.181 1.00 0.00 C ATOM 417 CG GLU A 29 4.658 -5.092 -10.312 1.00 0.00 C ATOM 418 CD GLU A 29 5.734 -5.952 -10.945 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.734 -7.177 -10.705 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.577 -5.398 -11.682 1.00 0.00 O ATOM 0 H GLU A 29 0.825 -5.513 -10.940 1.00 0.00 H new ATOM 0 HA GLU A 29 3.398 -5.940 -12.327 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.629 -5.184 -9.640 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.475 -6.718 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.518 -4.193 -10.911 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.990 -4.769 -9.325 1.00 0.00 H new ATOM 427 N GLU A 30 3.566 -8.467 -11.808 1.00 0.00 N ATOM 428 CA GLU A 30 3.488 -9.921 -11.879 1.00 0.00 C ATOM 429 C GLU A 30 4.770 -10.561 -11.356 1.00 0.00 C ATOM 430 O GLU A 30 5.873 -10.165 -11.734 1.00 0.00 O ATOM 431 CB GLU A 30 3.230 -10.370 -13.319 1.00 0.00 C ATOM 432 CG GLU A 30 3.156 -11.879 -13.482 1.00 0.00 C ATOM 433 CD GLU A 30 2.344 -12.296 -14.693 1.00 0.00 C ATOM 434 OE1 GLU A 30 2.605 -11.768 -15.793 1.00 0.00 O ATOM 435 OE2 GLU A 30 1.447 -13.151 -14.539 1.00 0.00 O ATOM 0 H GLU A 30 4.501 -8.087 -11.953 1.00 0.00 H new ATOM 0 HA GLU A 30 2.659 -10.246 -11.251 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.295 -9.929 -13.666 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.022 -9.982 -13.959 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.165 -12.281 -13.570 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.716 -12.316 -12.586 1.00 0.00 H new ATOM 442 N ALA A 31 4.617 -11.553 -10.485 1.00 0.00 N ATOM 443 CA ALA A 31 5.762 -12.249 -9.911 1.00 0.00 C ATOM 444 C ALA A 31 5.521 -13.754 -9.861 1.00 0.00 C ATOM 445 O ALA A 31 4.389 -14.217 -10.000 1.00 0.00 O ATOM 446 CB ALA A 31 6.061 -11.714 -8.518 1.00 0.00 C ATOM 0 H ALA A 31 3.711 -11.893 -10.161 1.00 0.00 H new ATOM 0 HA ALA A 31 6.625 -12.067 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.918 -12.243 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.285 -10.649 -8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.194 -11.866 -7.876 1.00 0.00 H new ATOM 452 N THR A 32 6.594 -14.514 -9.663 1.00 0.00 N ATOM 453 CA THR A 32 6.499 -15.967 -9.597 1.00 0.00 C ATOM 454 C THR A 32 6.423 -16.448 -8.153 1.00 0.00 C ATOM 455 O THR A 32 6.989 -15.828 -7.253 1.00 0.00 O ATOM 456 CB THR A 32 7.699 -16.640 -10.288 1.00 0.00 C ATOM 457 OG1 THR A 32 7.994 -15.971 -11.520 1.00 0.00 O ATOM 458 CG2 THR A 32 7.413 -18.110 -10.560 1.00 0.00 C ATOM 0 H THR A 32 7.538 -14.147 -9.546 1.00 0.00 H new ATOM 0 HA THR A 32 5.584 -16.248 -10.119 1.00 0.00 H new ATOM 0 HB THR A 32 8.559 -16.570 -9.622 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.759 -16.404 -11.952 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.275 -18.564 -11.049 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.218 -18.623 -9.618 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.541 -18.197 -11.208 1.00 0.00 H new ATOM 466 N GLU A 33 5.722 -17.557 -7.939 1.00 0.00 N ATOM 467 CA GLU A 33 5.573 -18.120 -6.602 1.00 0.00 C ATOM 468 C GLU A 33 6.933 -18.304 -5.935 1.00 0.00 C ATOM 469 O GLU A 33 7.857 -18.861 -6.526 1.00 0.00 O ATOM 470 CB GLU A 33 4.840 -19.462 -6.668 1.00 0.00 C ATOM 471 CG GLU A 33 3.703 -19.584 -5.668 1.00 0.00 C ATOM 472 CD GLU A 33 3.453 -21.018 -5.242 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.440 -21.905 -6.120 1.00 0.00 O ATOM 474 OE2 GLU A 33 3.270 -21.252 -4.029 1.00 0.00 O ATOM 0 H GLU A 33 5.249 -18.083 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 33 4.986 -17.422 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.444 -19.601 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.555 -20.266 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.931 -18.982 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.793 -19.175 -6.107 1.00 0.00 H new ATOM 481 N GLY A 34 7.048 -17.830 -4.698 1.00 0.00 N ATOM 482 CA GLY A 34 8.298 -17.950 -3.970 1.00 0.00 C ATOM 483 C GLY A 34 9.192 -16.739 -4.149 1.00 0.00 C ATOM 484 O GLY A 34 10.098 -16.505 -3.350 1.00 0.00 O ATOM 0 H GLY A 34 6.298 -17.365 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.086 -18.087 -2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.827 -18.841 -4.307 1.00 0.00 H new ATOM 488 N ALA A 35 8.938 -15.969 -5.202 1.00 0.00 N ATOM 489 CA ALA A 35 9.726 -14.775 -5.483 1.00 0.00 C ATOM 490 C ALA A 35 9.319 -13.621 -4.574 1.00 0.00 C ATOM 491 O ALA A 35 8.534 -13.798 -3.641 1.00 0.00 O ATOM 492 CB ALA A 35 9.578 -14.377 -6.944 1.00 0.00 C ATOM 0 H ALA A 35 8.193 -16.151 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 35 10.773 -15.006 -5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.172 -13.484 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.926 -15.191 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.530 -14.171 -7.160 1.00 0.00 H new ATOM 498 N THR A 36 9.856 -12.437 -4.852 1.00 0.00 N ATOM 499 CA THR A 36 9.549 -11.254 -4.058 1.00 0.00 C ATOM 500 C THR A 36 8.902 -10.170 -4.913 1.00 0.00 C ATOM 501 O THR A 36 9.536 -9.612 -5.808 1.00 0.00 O ATOM 502 CB THR A 36 10.815 -10.679 -3.394 1.00 0.00 C ATOM 503 OG1 THR A 36 11.541 -11.725 -2.738 1.00 0.00 O ATOM 504 CG2 THR A 36 10.454 -9.597 -2.387 1.00 0.00 C ATOM 0 H THR A 36 10.506 -12.272 -5.621 1.00 0.00 H new ATOM 0 HA THR A 36 8.850 -11.567 -3.282 1.00 0.00 H new ATOM 0 HB THR A 36 11.438 -10.236 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.345 -11.352 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.364 -9.206 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.926 -8.789 -2.894 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.813 -10.019 -1.613 1.00 0.00 H new ATOM 512 N ALA A 37 7.637 -9.878 -4.632 1.00 0.00 N ATOM 513 CA ALA A 37 6.905 -8.859 -5.374 1.00 0.00 C ATOM 514 C ALA A 37 6.919 -7.525 -4.635 1.00 0.00 C ATOM 515 O ALA A 37 6.744 -7.476 -3.418 1.00 0.00 O ATOM 516 CB ALA A 37 5.473 -9.312 -5.621 1.00 0.00 C ATOM 0 H ALA A 37 7.097 -10.333 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 37 7.401 -8.718 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.938 -8.541 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.478 -10.237 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.976 -9.483 -4.666 1.00 0.00 H new ATOM 522 N VAL A 38 7.130 -6.444 -5.379 1.00 0.00 N ATOM 523 CA VAL A 38 7.167 -5.109 -4.795 1.00 0.00 C ATOM 524 C VAL A 38 6.667 -4.062 -5.784 1.00 0.00 C ATOM 525 O VAL A 38 7.181 -3.949 -6.898 1.00 0.00 O ATOM 526 CB VAL A 38 8.591 -4.734 -4.342 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.566 -4.841 -5.504 1.00 0.00 C ATOM 528 CG2 VAL A 38 8.609 -3.333 -3.748 1.00 0.00 C ATOM 0 H VAL A 38 7.278 -6.467 -6.388 1.00 0.00 H new ATOM 0 HA VAL A 38 6.510 -5.125 -3.926 1.00 0.00 H new ATOM 0 HB VAL A 38 8.905 -5.436 -3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.567 -4.572 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.573 -5.864 -5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.259 -4.163 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.622 -3.084 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.276 -2.616 -4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.942 -3.294 -2.887 1.00 0.00 H new ATOM 538 N LEU A 39 5.663 -3.297 -5.370 1.00 0.00 N ATOM 539 CA LEU A 39 5.093 -2.257 -6.220 1.00 0.00 C ATOM 540 C LEU A 39 5.729 -0.903 -5.924 1.00 0.00 C ATOM 541 O LEU A 39 6.298 -0.695 -4.852 1.00 0.00 O ATOM 542 CB LEU A 39 3.579 -2.178 -6.016 1.00 0.00 C ATOM 543 CG LEU A 39 2.813 -3.494 -6.153 1.00 0.00 C ATOM 544 CD1 LEU A 39 1.844 -3.671 -4.995 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.074 -3.546 -7.482 1.00 0.00 C ATOM 0 H LEU A 39 5.227 -3.377 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 39 5.301 -2.516 -7.258 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.387 -1.771 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.172 -1.468 -6.736 1.00 0.00 H new ATOM 0 HG LEU A 39 3.531 -4.314 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.308 -4.613 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.397 -3.680 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.131 -2.846 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.535 -4.490 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.367 -2.718 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.790 -3.467 -8.300 1.00 0.00 H new ATOM 557 N ARG A 40 5.626 0.015 -6.879 1.00 0.00 N ATOM 558 CA ARG A 40 6.190 1.350 -6.720 1.00 0.00 C ATOM 559 C ARG A 40 5.332 2.391 -7.433 1.00 0.00 C ATOM 560 O ARG A 40 4.815 2.144 -8.523 1.00 0.00 O ATOM 561 CB ARG A 40 7.618 1.391 -7.266 1.00 0.00 C ATOM 562 CG ARG A 40 8.510 0.287 -6.722 1.00 0.00 C ATOM 563 CD ARG A 40 9.897 0.334 -7.344 1.00 0.00 C ATOM 564 NE ARG A 40 10.653 -0.889 -7.088 1.00 0.00 N ATOM 565 CZ ARG A 40 11.877 -1.107 -7.556 1.00 0.00 C ATOM 566 NH1 ARG A 40 12.480 -0.190 -8.299 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.501 -2.246 -7.280 1.00 0.00 N ATOM 0 H ARG A 40 5.157 -0.141 -7.771 1.00 0.00 H new ATOM 0 HA ARG A 40 6.208 1.586 -5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.585 1.317 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.062 2.357 -7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.592 0.384 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.053 -0.683 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.807 0.486 -8.420 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.444 1.189 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 40 10.218 -1.615 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.004 0.686 -8.513 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.420 -0.361 -8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.041 -2.954 -6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.441 -2.413 -7.640 1.00 0.00 H new ATOM 581 N CYS A 41 5.183 3.555 -6.809 1.00 0.00 N ATOM 582 CA CYS A 41 4.387 4.634 -7.383 1.00 0.00 C ATOM 583 C CYS A 41 4.965 5.994 -7.009 1.00 0.00 C ATOM 584 O CYS A 41 5.666 6.127 -6.006 1.00 0.00 O ATOM 585 CB CYS A 41 2.937 4.533 -6.907 1.00 0.00 C ATOM 586 SG CYS A 41 2.735 4.691 -5.117 1.00 0.00 S ATOM 0 H CYS A 41 5.603 3.775 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 41 4.413 4.535 -8.468 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.350 5.309 -7.398 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.527 3.574 -7.225 1.00 0.00 H new ATOM 0 HG CYS A 41 2.186 3.611 -4.645 1.00 0.00 H new ATOM 592 N GLU A 42 4.666 7.002 -7.823 1.00 0.00 N ATOM 593 CA GLU A 42 5.159 8.353 -7.578 1.00 0.00 C ATOM 594 C GLU A 42 4.026 9.272 -7.131 1.00 0.00 C ATOM 595 O GLU A 42 2.863 9.055 -7.473 1.00 0.00 O ATOM 596 CB GLU A 42 5.820 8.915 -8.838 1.00 0.00 C ATOM 597 CG GLU A 42 6.762 10.076 -8.565 1.00 0.00 C ATOM 598 CD GLU A 42 7.455 10.572 -9.819 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.246 9.801 -10.403 1.00 0.00 O ATOM 600 OE2 GLU A 42 7.207 11.729 -10.217 1.00 0.00 O ATOM 0 H GLU A 42 4.086 6.909 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 42 5.900 8.303 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.374 8.118 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.044 9.243 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.202 10.896 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.513 9.767 -7.838 1.00 0.00 H new ATOM 607 N LEU A 43 4.374 10.300 -6.364 1.00 0.00 N ATOM 608 CA LEU A 43 3.387 11.254 -5.869 1.00 0.00 C ATOM 609 C LEU A 43 3.774 12.681 -6.244 1.00 0.00 C ATOM 610 O LEU A 43 4.896 12.937 -6.680 1.00 0.00 O ATOM 611 CB LEU A 43 3.250 11.133 -4.350 1.00 0.00 C ATOM 612 CG LEU A 43 2.242 10.098 -3.847 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.378 9.907 -2.345 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.824 10.516 -4.207 1.00 0.00 C ATOM 0 H LEU A 43 5.332 10.494 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 43 2.429 11.023 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.228 10.889 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.969 12.108 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 43 2.454 9.146 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.653 9.167 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.385 9.562 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.193 10.855 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.120 9.768 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.601 11.479 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.733 10.601 -5.290 1.00 0.00 H new ATOM 626 N SER A 44 2.837 13.607 -6.068 1.00 0.00 N ATOM 627 CA SER A 44 3.078 15.009 -6.390 1.00 0.00 C ATOM 628 C SER A 44 3.857 15.696 -5.273 1.00 0.00 C ATOM 629 O SER A 44 4.630 16.623 -5.517 1.00 0.00 O ATOM 630 CB SER A 44 1.753 15.736 -6.625 1.00 0.00 C ATOM 631 OG SER A 44 1.878 17.123 -6.361 1.00 0.00 O ATOM 0 H SER A 44 1.904 13.412 -5.704 1.00 0.00 H new ATOM 0 HA SER A 44 3.673 15.050 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.430 15.586 -7.655 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.982 15.309 -5.984 1.00 0.00 H new ATOM 0 HG SER A 44 1.018 17.565 -6.520 1.00 0.00 H new ATOM 637 N LYS A 45 3.648 15.235 -4.044 1.00 0.00 N ATOM 638 CA LYS A 45 4.330 15.802 -2.887 1.00 0.00 C ATOM 639 C LYS A 45 4.372 14.803 -1.736 1.00 0.00 C ATOM 640 O LYS A 45 3.562 13.879 -1.674 1.00 0.00 O ATOM 641 CB LYS A 45 3.631 17.087 -2.436 1.00 0.00 C ATOM 642 CG LYS A 45 4.582 18.248 -2.203 1.00 0.00 C ATOM 643 CD LYS A 45 4.179 19.063 -0.986 1.00 0.00 C ATOM 644 CE LYS A 45 4.359 18.272 0.300 1.00 0.00 C ATOM 645 NZ LYS A 45 4.384 19.157 1.498 1.00 0.00 N ATOM 0 H LYS A 45 3.011 14.469 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 45 5.354 16.036 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.897 17.375 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.082 16.888 -1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.595 17.868 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.596 18.890 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.778 19.973 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.138 19.371 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.548 17.550 0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.287 17.703 0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.508 18.579 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.173 19.829 1.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.488 19.681 1.561 1.00 0.00 H new ATOM 659 N MET A 46 5.321 14.995 -0.825 1.00 0.00 N ATOM 660 CA MET A 46 5.466 14.111 0.325 1.00 0.00 C ATOM 661 C MET A 46 4.210 14.134 1.190 1.00 0.00 C ATOM 662 O MET A 46 3.756 15.197 1.614 1.00 0.00 O ATOM 663 CB MET A 46 6.681 14.520 1.160 1.00 0.00 C ATOM 664 CG MET A 46 6.798 13.764 2.474 1.00 0.00 C ATOM 665 SD MET A 46 8.490 13.710 3.095 1.00 0.00 S ATOM 666 CE MET A 46 8.951 15.436 2.973 1.00 0.00 C ATOM 0 H MET A 46 6.001 15.755 -0.861 1.00 0.00 H new ATOM 0 HA MET A 46 5.613 13.096 -0.045 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.586 14.356 0.574 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.625 15.588 1.369 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.157 14.236 3.219 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.433 12.746 2.337 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.844 15.617 3.571 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.154 15.686 1.932 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.135 16.057 3.342 1.00 0.00 H new ATOM 676 N ALA A 47 3.652 12.956 1.448 1.00 0.00 N ATOM 677 CA ALA A 47 2.449 12.841 2.263 1.00 0.00 C ATOM 678 C ALA A 47 2.191 11.392 2.661 1.00 0.00 C ATOM 679 O ALA A 47 2.699 10.454 2.046 1.00 0.00 O ATOM 680 CB ALA A 47 1.250 13.408 1.518 1.00 0.00 C ATOM 0 H ALA A 47 4.014 12.067 1.104 1.00 0.00 H new ATOM 0 HA ALA A 47 2.602 13.418 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.359 13.315 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.427 14.459 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.104 12.856 0.589 1.00 0.00 H new ATOM 686 N PRO A 48 1.383 11.202 3.715 1.00 0.00 N ATOM 687 CA PRO A 48 1.040 9.868 4.218 1.00 0.00 C ATOM 688 C PRO A 48 0.133 9.103 3.260 1.00 0.00 C ATOM 689 O PRO A 48 -0.726 9.689 2.601 1.00 0.00 O ATOM 690 CB PRO A 48 0.306 10.162 5.529 1.00 0.00 C ATOM 691 CG PRO A 48 -0.247 11.535 5.354 1.00 0.00 C ATOM 692 CD PRO A 48 0.743 12.273 4.496 1.00 0.00 C ATOM 0 HA PRO A 48 1.922 9.238 4.339 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.487 9.436 5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.984 10.114 6.381 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.228 11.503 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.375 12.030 6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.251 13.002 3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.469 12.819 5.099 1.00 0.00 H new ATOM 700 N VAL A 49 0.329 7.790 3.188 1.00 0.00 N ATOM 701 CA VAL A 49 -0.472 6.945 2.311 1.00 0.00 C ATOM 702 C VAL A 49 -0.863 5.646 3.008 1.00 0.00 C ATOM 703 O VAL A 49 -0.193 5.205 3.941 1.00 0.00 O ATOM 704 CB VAL A 49 0.282 6.610 1.011 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.562 7.875 0.214 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.574 5.869 1.321 1.00 0.00 C ATOM 0 H VAL A 49 1.036 7.289 3.727 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.372 7.508 2.065 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.347 5.959 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.095 7.618 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.380 8.361 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.172 8.554 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.094 5.640 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.210 6.493 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.345 4.942 1.846 1.00 0.00 H new ATOM 716 N GLU A 50 -1.951 5.038 2.547 1.00 0.00 N ATOM 717 CA GLU A 50 -2.431 3.789 3.127 1.00 0.00 C ATOM 718 C GLU A 50 -2.562 2.708 2.058 1.00 0.00 C ATOM 719 O GLU A 50 -3.165 2.929 1.007 1.00 0.00 O ATOM 720 CB GLU A 50 -3.780 4.006 3.816 1.00 0.00 C ATOM 721 CG GLU A 50 -3.673 4.728 5.149 1.00 0.00 C ATOM 722 CD GLU A 50 -4.477 4.055 6.243 1.00 0.00 C ATOM 723 OE1 GLU A 50 -5.657 3.729 5.999 1.00 0.00 O ATOM 724 OE2 GLU A 50 -3.925 3.853 7.346 1.00 0.00 O ATOM 0 H GLU A 50 -2.516 5.389 1.774 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.702 3.458 3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.429 4.578 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.258 3.039 3.973 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.626 4.775 5.449 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.017 5.755 5.030 1.00 0.00 H new ATOM 731 N TRP A 51 -1.994 1.540 2.334 1.00 0.00 N ATOM 732 CA TRP A 51 -2.047 0.424 1.396 1.00 0.00 C ATOM 733 C TRP A 51 -3.237 -0.481 1.693 1.00 0.00 C ATOM 734 O TRP A 51 -3.252 -1.193 2.697 1.00 0.00 O ATOM 735 CB TRP A 51 -0.749 -0.383 1.458 1.00 0.00 C ATOM 736 CG TRP A 51 0.412 0.307 0.808 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.326 1.121 1.414 1.00 0.00 C ATOM 738 CD2 TRP A 51 0.780 0.246 -0.574 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.241 1.568 0.492 1.00 0.00 N ATOM 740 CE2 TRP A 51 1.929 1.045 -0.735 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.254 -0.408 -1.691 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.556 1.208 -1.968 1.00 0.00 C ATOM 743 CZ3 TRP A 51 0.877 -0.246 -2.914 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.019 0.556 -3.044 1.00 0.00 C ATOM 0 H TRP A 51 -1.492 1.341 3.199 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.166 0.831 0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.505 -0.585 2.501 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.906 -1.347 0.975 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.329 1.376 2.464 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.026 2.189 0.689 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.625 -1.030 -1.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.435 1.827 -2.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.477 -0.746 -3.784 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.484 0.661 -4.013 1.00 0.00 H new ATOM 755 N TRP A 52 -4.233 -0.449 0.814 1.00 0.00 N ATOM 756 CA TRP A 52 -5.428 -1.267 0.984 1.00 0.00 C ATOM 757 C TRP A 52 -5.422 -2.446 0.017 1.00 0.00 C ATOM 758 O TRP A 52 -4.986 -2.321 -1.128 1.00 0.00 O ATOM 759 CB TRP A 52 -6.685 -0.422 0.769 1.00 0.00 C ATOM 760 CG TRP A 52 -6.851 0.664 1.788 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.191 1.859 1.829 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.734 0.653 2.916 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.611 2.591 2.913 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.557 1.874 3.595 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.658 -0.269 3.416 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.269 2.194 4.748 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.364 0.050 4.561 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.167 1.273 5.216 1.00 0.00 C ATOM 0 H TRP A 52 -4.236 0.134 -0.023 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.430 -1.656 2.002 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.649 0.024 -0.225 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.560 -1.072 0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.448 2.181 1.114 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.273 3.519 3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.817 -1.213 2.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.118 3.136 5.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.079 -0.655 4.957 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.735 1.493 6.108 1.00 0.00 H new ATOM 779 N LYS A 53 -5.909 -3.591 0.483 1.00 0.00 N ATOM 780 CA LYS A 53 -5.961 -4.793 -0.341 1.00 0.00 C ATOM 781 C LYS A 53 -7.239 -5.581 -0.073 1.00 0.00 C ATOM 782 O LYS A 53 -7.312 -6.359 0.878 1.00 0.00 O ATOM 783 CB LYS A 53 -4.739 -5.674 -0.072 1.00 0.00 C ATOM 784 CG LYS A 53 -4.623 -6.857 -1.017 1.00 0.00 C ATOM 785 CD LYS A 53 -3.615 -7.877 -0.513 1.00 0.00 C ATOM 786 CE LYS A 53 -3.940 -9.276 -1.012 1.00 0.00 C ATOM 787 NZ LYS A 53 -5.187 -9.809 -0.398 1.00 0.00 N ATOM 0 H LYS A 53 -6.274 -3.712 1.428 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.957 -4.487 -1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.838 -5.066 -0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.785 -6.042 0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.598 -7.332 -1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.324 -6.507 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.615 -7.595 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.605 -7.872 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.048 -9.259 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.109 -9.944 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.184 -10.848 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.237 -9.514 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.012 -9.438 -0.910 1.00 0.00 H new ATOM 801 N GLY A 54 -8.244 -5.375 -0.918 1.00 0.00 N ATOM 802 CA GLY A 54 -9.505 -6.075 -0.756 1.00 0.00 C ATOM 803 C GLY A 54 -10.294 -5.578 0.439 1.00 0.00 C ATOM 804 O GLY A 54 -10.696 -6.365 1.298 1.00 0.00 O ATOM 0 H GLY A 54 -8.208 -4.736 -1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.103 -5.953 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.313 -7.142 -0.643 1.00 0.00 H new ATOM 808 N HIS A 55 -10.516 -4.269 0.497 1.00 0.00 N ATOM 809 CA HIS A 55 -11.262 -3.668 1.597 1.00 0.00 C ATOM 810 C HIS A 55 -10.596 -3.973 2.936 1.00 0.00 C ATOM 811 O HIS A 55 -11.272 -4.244 3.928 1.00 0.00 O ATOM 812 CB HIS A 55 -12.703 -4.178 1.603 1.00 0.00 C ATOM 813 CG HIS A 55 -13.696 -3.162 2.079 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.813 -2.786 3.400 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.620 -2.443 1.401 1.00 0.00 C ATOM 816 CE1 HIS A 55 -14.767 -1.879 3.515 1.00 0.00 C ATOM 817 NE2 HIS A 55 -15.273 -1.653 2.316 1.00 0.00 N ATOM 0 H HIS A 55 -10.190 -3.604 -0.205 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.268 -2.588 1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.973 -4.493 0.595 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.765 -5.060 2.240 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -13.251 -3.151 4.169 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.809 -2.483 0.338 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -15.080 -1.404 4.433 1.00 0.00 H new ATOM 825 N GLU A 56 -9.268 -3.928 2.954 1.00 0.00 N ATOM 826 CA GLU A 56 -8.512 -4.202 4.171 1.00 0.00 C ATOM 827 C GLU A 56 -7.197 -3.426 4.181 1.00 0.00 C ATOM 828 O GLU A 56 -6.505 -3.342 3.166 1.00 0.00 O ATOM 829 CB GLU A 56 -8.233 -5.701 4.299 1.00 0.00 C ATOM 830 CG GLU A 56 -7.288 -6.050 5.436 1.00 0.00 C ATOM 831 CD GLU A 56 -6.980 -7.533 5.504 1.00 0.00 C ATOM 832 OE1 GLU A 56 -6.544 -8.097 4.479 1.00 0.00 O ATOM 833 OE2 GLU A 56 -7.174 -8.129 6.584 1.00 0.00 O ATOM 0 H GLU A 56 -8.694 -3.705 2.141 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.112 -3.878 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.177 -6.226 4.448 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.811 -6.064 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.358 -5.495 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.728 -5.730 6.381 1.00 0.00 H new ATOM 840 N THR A 57 -6.860 -2.860 5.335 1.00 0.00 N ATOM 841 CA THR A 57 -5.630 -2.090 5.478 1.00 0.00 C ATOM 842 C THR A 57 -4.435 -3.004 5.723 1.00 0.00 C ATOM 843 O THR A 57 -4.527 -3.977 6.472 1.00 0.00 O ATOM 844 CB THR A 57 -5.733 -1.078 6.635 1.00 0.00 C ATOM 845 OG1 THR A 57 -7.092 -0.973 7.075 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.227 0.290 6.202 1.00 0.00 C ATOM 0 H THR A 57 -7.421 -2.920 6.185 1.00 0.00 H new ATOM 0 HA THR A 57 -5.485 -1.549 4.543 1.00 0.00 H new ATOM 0 HB THR A 57 -5.113 -1.434 7.457 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.637 -0.580 6.362 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.309 0.989 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.184 0.212 5.895 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.825 0.651 5.365 1.00 0.00 H new ATOM 854 N LEU A 58 -3.313 -2.684 5.087 1.00 0.00 N ATOM 855 CA LEU A 58 -2.097 -3.476 5.236 1.00 0.00 C ATOM 856 C LEU A 58 -1.111 -2.789 6.175 1.00 0.00 C ATOM 857 O LEU A 58 -1.259 -1.608 6.491 1.00 0.00 O ATOM 858 CB LEU A 58 -1.444 -3.707 3.872 1.00 0.00 C ATOM 859 CG LEU A 58 -2.333 -4.343 2.802 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.641 -4.313 1.448 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.694 -5.770 3.187 1.00 0.00 C ATOM 0 H LEU A 58 -3.220 -1.882 4.464 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.371 -4.439 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.086 -2.749 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.569 -4.341 4.013 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.254 -3.764 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.288 -4.770 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.434 -3.280 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.705 -4.868 1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.327 -6.206 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.784 -6.361 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.231 -5.766 4.136 1.00 0.00 H new ATOM 873 N ARG A 59 -0.103 -3.535 6.615 1.00 0.00 N ATOM 874 CA ARG A 59 0.909 -2.997 7.517 1.00 0.00 C ATOM 875 C ARG A 59 2.271 -3.629 7.245 1.00 0.00 C ATOM 876 O ARG A 59 2.412 -4.462 6.350 1.00 0.00 O ATOM 877 CB ARG A 59 0.505 -3.237 8.973 1.00 0.00 C ATOM 878 CG ARG A 59 0.266 -4.700 9.305 1.00 0.00 C ATOM 879 CD ARG A 59 -1.218 -5.003 9.452 1.00 0.00 C ATOM 880 NE ARG A 59 -1.468 -6.047 10.442 1.00 0.00 N ATOM 881 CZ ARG A 59 -2.618 -6.704 10.542 1.00 0.00 C ATOM 882 NH1 ARG A 59 -3.618 -6.427 9.716 1.00 0.00 N ATOM 883 NH2 ARG A 59 -2.769 -7.641 11.469 1.00 0.00 N ATOM 0 H ARG A 59 0.035 -4.513 6.362 1.00 0.00 H new ATOM 0 HA ARG A 59 0.984 -1.924 7.340 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.286 -2.848 9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.402 -2.672 9.188 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.690 -5.326 8.520 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.784 -4.954 10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.746 -4.095 9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.622 -5.313 8.488 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.719 -6.285 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.505 -5.708 9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.500 -6.933 9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.002 -7.857 12.105 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.652 -8.145 11.545 1.00 0.00 H new ATOM 897 N ASP A 60 3.270 -3.226 8.022 1.00 0.00 N ATOM 898 CA ASP A 60 4.621 -3.753 7.866 1.00 0.00 C ATOM 899 C ASP A 60 5.003 -4.630 9.055 1.00 0.00 C ATOM 900 O ASP A 60 4.326 -4.629 10.082 1.00 0.00 O ATOM 901 CB ASP A 60 5.624 -2.608 7.718 1.00 0.00 C ATOM 902 CG ASP A 60 6.000 -1.991 9.051 1.00 0.00 C ATOM 903 OD1 ASP A 60 5.094 -1.488 9.748 1.00 0.00 O ATOM 904 OD2 ASP A 60 7.200 -2.012 9.397 1.00 0.00 O ATOM 0 H ASP A 60 3.170 -2.536 8.766 1.00 0.00 H new ATOM 0 HA ASP A 60 4.644 -4.365 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.523 -2.978 7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.200 -1.839 7.072 1.00 0.00 H new ATOM 909 N GLY A 61 6.092 -5.378 8.906 1.00 0.00 N ATOM 910 CA GLY A 61 6.544 -6.250 9.974 1.00 0.00 C ATOM 911 C GLY A 61 7.257 -7.482 9.454 1.00 0.00 C ATOM 912 O GLY A 61 6.690 -8.575 9.436 1.00 0.00 O ATOM 0 H GLY A 61 6.669 -5.396 8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.214 -5.697 10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.688 -6.556 10.576 1.00 0.00 H new ATOM 916 N ASP A 62 8.503 -7.307 9.028 1.00 0.00 N ATOM 917 CA ASP A 62 9.295 -8.414 8.504 1.00 0.00 C ATOM 918 C ASP A 62 8.747 -8.885 7.160 1.00 0.00 C ATOM 919 O ASP A 62 9.319 -8.593 6.109 1.00 0.00 O ATOM 920 CB ASP A 62 9.308 -9.576 9.499 1.00 0.00 C ATOM 921 CG ASP A 62 10.689 -9.838 10.065 1.00 0.00 C ATOM 922 OD1 ASP A 62 11.054 -9.184 11.066 1.00 0.00 O ATOM 923 OD2 ASP A 62 11.405 -10.696 9.509 1.00 0.00 O ATOM 0 H ASP A 62 8.987 -6.409 9.035 1.00 0.00 H new ATOM 0 HA ASP A 62 10.316 -8.061 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.619 -9.359 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.944 -10.477 9.006 1.00 0.00 H new ATOM 928 N ARG A 63 7.638 -9.616 7.202 1.00 0.00 N ATOM 929 CA ARG A 63 7.015 -10.129 5.988 1.00 0.00 C ATOM 930 C ARG A 63 6.771 -9.005 4.985 1.00 0.00 C ATOM 931 O ARG A 63 7.246 -9.057 3.850 1.00 0.00 O ATOM 932 CB ARG A 63 5.694 -10.825 6.322 1.00 0.00 C ATOM 933 CG ARG A 63 5.853 -12.021 7.247 1.00 0.00 C ATOM 934 CD ARG A 63 4.661 -12.164 8.181 1.00 0.00 C ATOM 935 NE ARG A 63 3.392 -12.124 7.460 1.00 0.00 N ATOM 936 CZ ARG A 63 2.952 -13.115 6.691 1.00 0.00 C ATOM 937 NH1 ARG A 63 3.676 -14.216 6.545 1.00 0.00 N ATOM 938 NH2 ARG A 63 1.787 -13.004 6.067 1.00 0.00 N ATOM 0 H ARG A 63 7.153 -9.866 8.063 1.00 0.00 H new ATOM 0 HA ARG A 63 7.695 -10.852 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.021 -10.104 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.221 -11.153 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.963 -12.929 6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.765 -11.910 7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.739 -13.105 8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.683 -11.364 8.921 1.00 0.00 H new ATOM 0 HE ARG A 63 2.812 -11.290 7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.573 -14.304 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.336 -14.975 5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.228 -12.158 6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.450 -13.765 5.477 1.00 0.00 H new ATOM 952 N HIS A 64 6.026 -7.990 5.412 1.00 0.00 N ATOM 953 CA HIS A 64 5.718 -6.853 4.551 1.00 0.00 C ATOM 954 C HIS A 64 6.714 -5.719 4.773 1.00 0.00 C ATOM 955 O HIS A 64 6.864 -5.221 5.889 1.00 0.00 O ATOM 956 CB HIS A 64 4.296 -6.358 4.814 1.00 0.00 C ATOM 957 CG HIS A 64 3.239 -7.363 4.473 1.00 0.00 C ATOM 958 ND1 HIS A 64 2.911 -8.419 5.296 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.433 -7.467 3.391 1.00 0.00 C ATOM 960 CE1 HIS A 64 1.950 -9.131 4.734 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.642 -8.573 3.577 1.00 0.00 N ATOM 0 H HIS A 64 5.625 -7.932 6.348 1.00 0.00 H new ATOM 0 HA HIS A 64 5.794 -7.182 3.515 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.203 -6.088 5.866 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.123 -5.451 4.235 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.415 -6.803 2.539 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.494 -10.018 5.150 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.931 -8.910 2.927 1.00 0.00 H new ATOM 969 N SER A 65 7.392 -5.315 3.704 1.00 0.00 N ATOM 970 CA SER A 65 8.377 -4.242 3.783 1.00 0.00 C ATOM 971 C SER A 65 7.811 -2.943 3.218 1.00 0.00 C ATOM 972 O SER A 65 7.686 -2.783 2.003 1.00 0.00 O ATOM 973 CB SER A 65 9.647 -4.631 3.024 1.00 0.00 C ATOM 974 OG SER A 65 10.593 -5.234 3.890 1.00 0.00 O ATOM 0 H SER A 65 7.278 -5.714 2.772 1.00 0.00 H new ATOM 0 HA SER A 65 8.623 -4.084 4.833 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.396 -5.320 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.084 -3.746 2.562 1.00 0.00 H new ATOM 0 HG SER A 65 11.395 -5.475 3.381 1.00 0.00 H new ATOM 980 N LEU A 66 7.471 -2.017 4.108 1.00 0.00 N ATOM 981 CA LEU A 66 6.919 -0.730 3.700 1.00 0.00 C ATOM 982 C LEU A 66 7.966 0.373 3.813 1.00 0.00 C ATOM 983 O LEU A 66 8.506 0.622 4.891 1.00 0.00 O ATOM 984 CB LEU A 66 5.700 -0.382 4.556 1.00 0.00 C ATOM 985 CG LEU A 66 4.380 -1.032 4.141 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.469 -2.545 4.263 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.232 -0.494 4.983 1.00 0.00 C ATOM 0 H LEU A 66 7.568 -2.134 5.117 1.00 0.00 H new ATOM 0 HA LEU A 66 6.613 -0.808 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.913 -0.665 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.569 0.700 4.543 1.00 0.00 H new ATOM 0 HG LEU A 66 4.187 -0.783 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.520 -2.991 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.264 -2.916 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.686 -2.815 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.301 -0.968 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.418 -0.713 6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.154 0.584 4.845 1.00 0.00 H new ATOM 999 N ARG A 67 8.248 1.032 2.694 1.00 0.00 N ATOM 1000 CA ARG A 67 9.230 2.109 2.667 1.00 0.00 C ATOM 1001 C ARG A 67 8.698 3.310 1.891 1.00 0.00 C ATOM 1002 O ARG A 67 7.958 3.154 0.920 1.00 0.00 O ATOM 1003 CB ARG A 67 10.537 1.621 2.041 1.00 0.00 C ATOM 1004 CG ARG A 67 11.029 0.300 2.610 1.00 0.00 C ATOM 1005 CD ARG A 67 12.412 -0.052 2.085 1.00 0.00 C ATOM 1006 NE ARG A 67 13.470 0.619 2.836 1.00 0.00 N ATOM 1007 CZ ARG A 67 13.840 0.264 4.061 1.00 0.00 C ATOM 1008 NH1 ARG A 67 13.242 -0.751 4.670 1.00 0.00 N ATOM 1009 NH2 ARG A 67 14.811 0.924 4.680 1.00 0.00 N ATOM 0 H ARG A 67 7.810 0.839 1.793 1.00 0.00 H new ATOM 0 HA ARG A 67 9.421 2.418 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.397 1.514 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.306 2.379 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.056 0.359 3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.327 -0.493 2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.557 -1.131 2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.482 0.226 1.033 1.00 0.00 H new ATOM 0 HE ARG A 67 13.951 1.403 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.496 -1.261 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.528 -1.021 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.274 1.705 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.094 0.650 5.621 1.00 0.00 H new ATOM 1023 N GLN A 68 9.082 4.506 2.325 1.00 0.00 N ATOM 1024 CA GLN A 68 8.643 5.733 1.671 1.00 0.00 C ATOM 1025 C GLN A 68 9.791 6.731 1.560 1.00 0.00 C ATOM 1026 O GLN A 68 10.381 7.127 2.564 1.00 0.00 O ATOM 1027 CB GLN A 68 7.480 6.359 2.442 1.00 0.00 C ATOM 1028 CG GLN A 68 6.884 7.580 1.760 1.00 0.00 C ATOM 1029 CD GLN A 68 6.165 8.497 2.729 1.00 0.00 C ATOM 1030 OE1 GLN A 68 6.540 8.603 3.897 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.124 9.167 2.248 1.00 0.00 N ATOM 0 H GLN A 68 9.696 4.651 3.126 1.00 0.00 H new ATOM 0 HA GLN A 68 8.308 5.479 0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.699 5.610 2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.825 6.641 3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.677 8.136 1.261 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.187 7.256 0.987 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.848 9.049 1.273 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.601 9.800 2.853 1.00 0.00 H new ATOM 1040 N ASP A 69 10.101 7.133 0.332 1.00 0.00 N ATOM 1041 CA ASP A 69 11.178 8.086 0.089 1.00 0.00 C ATOM 1042 C ASP A 69 10.629 9.397 -0.465 1.00 0.00 C ATOM 1043 O ASP A 69 10.605 9.609 -1.676 1.00 0.00 O ATOM 1044 CB ASP A 69 12.201 7.495 -0.883 1.00 0.00 C ATOM 1045 CG ASP A 69 12.966 6.332 -0.283 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.970 6.580 0.417 1.00 0.00 O ATOM 1047 OD2 ASP A 69 12.560 5.174 -0.514 1.00 0.00 O ATOM 0 H ASP A 69 9.622 6.814 -0.510 1.00 0.00 H new ATOM 0 HA ASP A 69 11.669 8.292 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.689 7.162 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.904 8.272 -1.183 1.00 0.00 H new ATOM 1052 N GLY A 70 10.188 10.274 0.432 1.00 0.00 N ATOM 1053 CA GLY A 70 9.644 11.552 0.014 1.00 0.00 C ATOM 1054 C GLY A 70 8.268 11.421 -0.608 1.00 0.00 C ATOM 1055 O GLY A 70 7.255 11.495 0.087 1.00 0.00 O ATOM 0 H GLY A 70 10.198 10.122 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.588 12.219 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.321 12.014 -0.704 1.00 0.00 H new ATOM 1059 N ALA A 71 8.231 11.228 -1.923 1.00 0.00 N ATOM 1060 CA ALA A 71 6.969 11.087 -2.639 1.00 0.00 C ATOM 1061 C ALA A 71 6.840 9.698 -3.255 1.00 0.00 C ATOM 1062 O ALA A 71 5.733 9.194 -3.449 1.00 0.00 O ATOM 1063 CB ALA A 71 6.849 12.156 -3.714 1.00 0.00 C ATOM 0 H ALA A 71 9.060 11.166 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 71 6.157 11.216 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.902 12.038 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.887 13.143 -3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.672 12.055 -4.421 1.00 0.00 H new ATOM 1069 N ARG A 72 7.978 9.083 -3.561 1.00 0.00 N ATOM 1070 CA ARG A 72 7.992 7.753 -4.157 1.00 0.00 C ATOM 1071 C ARG A 72 7.704 6.684 -3.108 1.00 0.00 C ATOM 1072 O ARG A 72 8.508 6.456 -2.203 1.00 0.00 O ATOM 1073 CB ARG A 72 9.344 7.482 -4.820 1.00 0.00 C ATOM 1074 CG ARG A 72 9.341 7.701 -6.324 1.00 0.00 C ATOM 1075 CD ARG A 72 10.186 6.660 -7.040 1.00 0.00 C ATOM 1076 NE ARG A 72 10.567 7.094 -8.382 1.00 0.00 N ATOM 1077 CZ ARG A 72 9.729 7.117 -9.412 1.00 0.00 C ATOM 1078 NH1 ARG A 72 8.469 6.735 -9.255 1.00 0.00 N ATOM 1079 NH2 ARG A 72 10.150 7.525 -10.603 1.00 0.00 N ATOM 0 H ARG A 72 8.902 9.485 -3.406 1.00 0.00 H new ATOM 0 HA ARG A 72 7.209 7.714 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.096 8.129 -4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.641 6.454 -4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.318 7.659 -6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.722 8.697 -6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.084 6.457 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.630 5.725 -7.105 1.00 0.00 H new ATOM 0 HE ARG A 72 11.529 7.396 -8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.141 6.422 -8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.828 6.754 -10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.118 7.821 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.505 7.542 -11.393 1.00 0.00 H new ATOM 1093 N CYS A 73 6.553 6.032 -3.235 1.00 0.00 N ATOM 1094 CA CYS A 73 6.158 4.988 -2.296 1.00 0.00 C ATOM 1095 C CYS A 73 6.307 3.607 -2.926 1.00 0.00 C ATOM 1096 O CYS A 73 6.305 3.469 -4.149 1.00 0.00 O ATOM 1097 CB CYS A 73 4.714 5.202 -1.841 1.00 0.00 C ATOM 1098 SG CYS A 73 4.351 6.891 -1.308 1.00 0.00 S ATOM 0 H CYS A 73 5.877 6.208 -3.979 1.00 0.00 H new ATOM 0 HA CYS A 73 6.816 5.045 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.044 4.939 -2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.498 4.519 -1.020 1.00 0.00 H new ATOM 0 HG CYS A 73 4.890 7.733 -2.138 1.00 0.00 H new ATOM 1104 N GLU A 74 6.437 2.588 -2.082 1.00 0.00 N ATOM 1105 CA GLU A 74 6.589 1.218 -2.557 1.00 0.00 C ATOM 1106 C GLU A 74 6.244 0.219 -1.456 1.00 0.00 C ATOM 1107 O GLU A 74 6.451 0.487 -0.272 1.00 0.00 O ATOM 1108 CB GLU A 74 8.018 0.980 -3.048 1.00 0.00 C ATOM 1109 CG GLU A 74 9.074 1.208 -1.979 1.00 0.00 C ATOM 1110 CD GLU A 74 10.428 1.564 -2.563 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.121 0.649 -3.054 1.00 0.00 O ATOM 1112 OE2 GLU A 74 10.793 2.757 -2.528 1.00 0.00 O ATOM 0 H GLU A 74 6.440 2.685 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 74 5.899 1.070 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.101 -0.042 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.218 1.641 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.747 2.008 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.170 0.309 -1.371 1.00 0.00 H new ATOM 1119 N LEU A 75 5.717 -0.934 -1.855 1.00 0.00 N ATOM 1120 CA LEU A 75 5.343 -1.974 -0.903 1.00 0.00 C ATOM 1121 C LEU A 75 5.891 -3.330 -1.336 1.00 0.00 C ATOM 1122 O LEU A 75 5.402 -3.931 -2.292 1.00 0.00 O ATOM 1123 CB LEU A 75 3.821 -2.046 -0.768 1.00 0.00 C ATOM 1124 CG LEU A 75 3.265 -3.301 -0.096 1.00 0.00 C ATOM 1125 CD1 LEU A 75 3.931 -3.523 1.254 1.00 0.00 C ATOM 1126 CD2 LEU A 75 1.755 -3.197 0.063 1.00 0.00 C ATOM 0 H LEU A 75 5.539 -1.172 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 75 5.776 -1.720 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.485 -1.177 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.384 -1.967 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 75 3.485 -4.158 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.523 -4.421 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.005 -3.643 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.743 -2.664 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.377 -4.099 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.513 -2.330 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.293 -3.087 -0.918 1.00 0.00 H new ATOM 1138 N GLN A 76 6.907 -3.807 -0.623 1.00 0.00 N ATOM 1139 CA GLN A 76 7.520 -5.093 -0.933 1.00 0.00 C ATOM 1140 C GLN A 76 6.929 -6.200 -0.066 1.00 0.00 C ATOM 1141 O GLN A 76 6.582 -5.975 1.094 1.00 0.00 O ATOM 1142 CB GLN A 76 9.034 -5.023 -0.729 1.00 0.00 C ATOM 1143 CG GLN A 76 9.736 -6.358 -0.918 1.00 0.00 C ATOM 1144 CD GLN A 76 11.247 -6.232 -0.888 1.00 0.00 C ATOM 1145 OE1 GLN A 76 11.850 -6.113 0.178 1.00 0.00 O ATOM 1146 NE2 GLN A 76 11.866 -6.258 -2.063 1.00 0.00 N ATOM 0 H GLN A 76 7.322 -3.322 0.173 1.00 0.00 H new ATOM 0 HA GLN A 76 7.312 -5.324 -1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.453 -4.299 -1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.240 -4.653 0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.417 -7.046 -0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.430 -6.794 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.325 -6.358 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.882 -6.178 -2.106 1.00 0.00 H new ATOM 1155 N ILE A 77 6.818 -7.395 -0.636 1.00 0.00 N ATOM 1156 CA ILE A 77 6.271 -8.537 0.086 1.00 0.00 C ATOM 1157 C ILE A 77 7.185 -9.752 -0.032 1.00 0.00 C ATOM 1158 O ILE A 77 7.263 -10.383 -1.086 1.00 0.00 O ATOM 1159 CB ILE A 77 4.869 -8.911 -0.432 1.00 0.00 C ATOM 1160 CG1 ILE A 77 3.923 -7.714 -0.318 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.320 -10.103 0.338 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.186 -7.401 -1.601 1.00 0.00 C ATOM 0 H ILE A 77 7.099 -7.598 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 77 6.197 -8.242 1.133 1.00 0.00 H new ATOM 0 HB ILE A 77 4.948 -9.188 -1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.196 -7.910 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.495 -6.837 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.329 -10.355 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.985 -10.957 0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.252 -9.852 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.534 -6.541 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.905 -7.173 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.587 -8.262 -1.896 1.00 0.00 H new ATOM 1174 N ARG A 78 7.874 -10.075 1.058 1.00 0.00 N ATOM 1175 CA ARG A 78 8.783 -11.215 1.077 1.00 0.00 C ATOM 1176 C ARG A 78 8.034 -12.502 1.412 1.00 0.00 C ATOM 1177 O ARG A 78 7.234 -12.542 2.346 1.00 0.00 O ATOM 1178 CB ARG A 78 9.902 -10.985 2.094 1.00 0.00 C ATOM 1179 CG ARG A 78 11.276 -10.829 1.463 1.00 0.00 C ATOM 1180 CD ARG A 78 12.238 -11.901 1.951 1.00 0.00 C ATOM 1181 NE ARG A 78 12.887 -11.524 3.203 1.00 0.00 N ATOM 1182 CZ ARG A 78 13.820 -10.582 3.293 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.209 -9.925 2.210 1.00 0.00 N ATOM 1184 NH2 ARG A 78 14.364 -10.296 4.469 1.00 0.00 N ATOM 0 H ARG A 78 7.820 -9.564 1.939 1.00 0.00 H new ATOM 0 HA ARG A 78 9.219 -11.316 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.675 -10.091 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.925 -11.822 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.188 -10.884 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.677 -9.844 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.697 -12.837 2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.997 -12.081 1.189 1.00 0.00 H new ATOM 0 HE ARG A 78 12.609 -12.010 4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.792 -10.142 1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.925 -9.202 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.066 -10.799 5.305 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.080 -9.573 4.537 1.00 0.00 H new ATOM 1198 N GLY A 79 8.298 -13.552 0.640 1.00 0.00 N ATOM 1199 CA GLY A 79 7.641 -14.825 0.870 1.00 0.00 C ATOM 1200 C GLY A 79 6.327 -14.943 0.123 1.00 0.00 C ATOM 1201 O GLY A 79 5.279 -15.175 0.727 1.00 0.00 O ATOM 0 H GLY A 79 8.955 -13.543 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.304 -15.633 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.461 -14.950 1.938 1.00 0.00 H new ATOM 1205 N LEU A 80 6.382 -14.781 -1.195 1.00 0.00 N ATOM 1206 CA LEU A 80 5.186 -14.869 -2.026 1.00 0.00 C ATOM 1207 C LEU A 80 4.502 -16.221 -1.855 1.00 0.00 C ATOM 1208 O LEU A 80 5.071 -17.148 -1.280 1.00 0.00 O ATOM 1209 CB LEU A 80 5.547 -14.649 -3.497 1.00 0.00 C ATOM 1210 CG LEU A 80 5.690 -13.193 -3.942 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.171 -13.121 -5.383 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.370 -12.453 -3.781 1.00 0.00 C ATOM 0 H LEU A 80 7.241 -14.588 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 80 4.493 -14.090 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.486 -15.164 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.783 -15.123 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 80 6.433 -12.711 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.267 -12.077 -5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.140 -13.614 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.452 -13.620 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.491 -11.419 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.606 -12.935 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.066 -12.474 -2.734 1.00 0.00 H new ATOM 1224 N VAL A 81 3.277 -16.327 -2.361 1.00 0.00 N ATOM 1225 CA VAL A 81 2.516 -17.567 -2.268 1.00 0.00 C ATOM 1226 C VAL A 81 1.388 -17.598 -3.293 1.00 0.00 C ATOM 1227 O VAL A 81 1.488 -18.270 -4.319 1.00 0.00 O ATOM 1228 CB VAL A 81 1.920 -17.755 -0.860 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.752 -18.743 -0.055 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.822 -16.418 -0.140 1.00 0.00 C ATOM 0 H VAL A 81 2.791 -15.569 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 81 3.211 -18.381 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 81 0.914 -18.162 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.316 -18.863 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.766 -19.707 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.771 -18.368 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.399 -16.570 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.816 -15.981 -0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.181 -15.745 -0.709 1.00 0.00 H new ATOM 1240 N ALA A 82 0.316 -16.867 -3.008 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.830 -16.809 -3.907 1.00 0.00 C ATOM 1242 C ALA A 82 -1.921 -15.902 -3.348 1.00 0.00 C ATOM 1243 O ALA A 82 -2.625 -15.228 -4.099 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.378 -18.206 -4.154 1.00 0.00 C ATOM 0 H ALA A 82 0.217 -16.307 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.495 -16.389 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.233 -18.148 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.603 -18.826 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.691 -18.647 -3.207 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.055 -15.891 -2.025 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.062 -15.067 -1.367 1.00 0.00 C ATOM 1252 C GLU A 83 -2.743 -13.584 -1.530 1.00 0.00 C ATOM 1253 O GLU A 83 -3.641 -12.742 -1.543 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.150 -15.420 0.120 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.137 -16.534 0.423 1.00 0.00 C ATOM 1256 CD GLU A 83 -4.298 -16.782 1.910 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -3.395 -16.392 2.678 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -5.329 -17.367 2.305 1.00 0.00 O ATOM 0 H GLU A 83 -1.479 -16.443 -1.389 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.024 -15.268 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.162 -15.715 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.437 -14.530 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.107 -16.282 -0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.803 -17.452 -0.061 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.457 -13.271 -1.653 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.018 -11.890 -1.816 1.00 0.00 C ATOM 1267 C ASP A 84 -1.640 -11.265 -3.061 1.00 0.00 C ATOM 1268 O ASP A 84 -1.935 -10.071 -3.087 1.00 0.00 O ATOM 1269 CB ASP A 84 0.507 -11.824 -1.904 1.00 0.00 C ATOM 1270 CG ASP A 84 1.160 -11.676 -0.544 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.844 -10.697 0.162 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.989 -12.540 -0.187 1.00 0.00 O ATOM 0 H ASP A 84 -0.701 -13.955 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.348 -11.325 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.880 -12.728 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.795 -10.984 -2.536 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.835 -12.082 -4.092 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.422 -11.609 -5.339 1.00 0.00 C ATOM 1279 C ALA A 85 -3.800 -11.000 -5.102 1.00 0.00 C ATOM 1280 O ALA A 85 -4.595 -11.524 -4.323 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.513 -12.748 -6.344 1.00 0.00 C ATOM 0 H ALA A 85 -1.595 -13.073 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.775 -10.831 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.953 -12.381 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.515 -13.136 -6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.136 -13.544 -5.936 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.075 -9.889 -5.778 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.357 -9.226 -5.626 1.00 0.00 C ATOM 1289 C GLY A 86 -5.348 -7.813 -6.173 1.00 0.00 C ATOM 1290 O GLY A 86 -4.668 -7.526 -7.158 1.00 0.00 O ATOM 0 H GLY A 86 -3.433 -9.436 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.125 -9.806 -6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.627 -9.202 -4.570 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.105 -6.927 -5.533 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.183 -5.536 -5.965 1.00 0.00 C ATOM 1296 C GLU A 87 -5.627 -4.603 -4.893 1.00 0.00 C ATOM 1297 O GLU A 87 -6.250 -4.395 -3.851 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.631 -5.158 -6.285 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.782 -3.759 -6.857 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.140 -3.531 -7.491 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.401 -4.119 -8.562 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.943 -2.766 -6.917 1.00 0.00 O ATOM 0 H GLU A 87 -6.672 -7.147 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.580 -5.427 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.037 -5.878 -6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.228 -5.236 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.628 -3.028 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.004 -3.589 -7.602 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.452 -4.043 -5.157 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.810 -3.134 -4.215 1.00 0.00 C ATOM 1311 C TYR A 88 -4.322 -1.708 -4.398 1.00 0.00 C ATOM 1312 O TYR A 88 -4.826 -1.349 -5.463 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.291 -3.169 -4.394 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.626 -4.335 -3.698 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -1.513 -5.570 -4.324 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -1.110 -4.201 -2.415 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -0.907 -6.639 -3.691 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.501 -5.264 -1.775 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.402 -6.480 -2.417 1.00 0.00 C ATOM 1320 OH TYR A 88 0.203 -7.542 -1.785 1.00 0.00 O ATOM 0 H TYR A 88 -3.925 -4.202 -6.015 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.058 -3.463 -3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.060 -3.212 -5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.867 -2.240 -4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.905 -5.697 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.186 -3.250 -1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.829 -7.593 -4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.105 -5.143 -0.778 1.00 0.00 H new ATOM 0 HH TYR A 88 0.505 -7.264 -0.895 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.188 -0.900 -3.352 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.636 0.488 -3.396 1.00 0.00 C ATOM 1332 C LEU A 89 -3.586 1.418 -2.797 1.00 0.00 C ATOM 1333 O LEU A 89 -2.601 0.964 -2.213 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.959 0.641 -2.643 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.138 1.172 -3.459 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.376 0.321 -3.223 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.415 2.627 -3.112 1.00 0.00 C ATOM 0 H LEU A 89 -3.773 -1.182 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.785 0.763 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.235 -0.330 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.798 1.310 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.879 1.115 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.205 0.714 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.173 -0.707 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.638 0.346 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.257 2.988 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.654 2.709 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.533 3.228 -3.333 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.803 2.720 -2.945 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.876 3.715 -2.418 1.00 0.00 C ATOM 1351 C CYS A 90 -3.536 5.088 -2.342 1.00 0.00 C ATOM 1352 O CYS A 90 -3.444 5.884 -3.276 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.622 3.786 -3.290 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.150 4.375 -2.420 1.00 0.00 S ATOM 0 H CYS A 90 -4.613 3.111 -3.426 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.592 3.413 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.419 2.795 -3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.818 4.444 -4.137 1.00 0.00 H new ATOM 0 HG CYS A 90 0.897 4.200 -3.171 1.00 0.00 H new ATOM 1360 N MET A 91 -4.205 5.356 -1.225 1.00 0.00 N ATOM 1361 CA MET A 91 -4.881 6.633 -1.028 1.00 0.00 C ATOM 1362 C MET A 91 -3.961 7.636 -0.341 1.00 0.00 C ATOM 1363 O MET A 91 -3.460 7.383 0.755 1.00 0.00 O ATOM 1364 CB MET A 91 -6.152 6.438 -0.200 1.00 0.00 C ATOM 1365 CG MET A 91 -7.041 5.313 -0.704 1.00 0.00 C ATOM 1366 SD MET A 91 -8.776 5.552 -0.276 1.00 0.00 S ATOM 1367 CE MET A 91 -8.992 4.293 0.979 1.00 0.00 C ATOM 0 H MET A 91 -4.293 4.707 -0.443 1.00 0.00 H new ATOM 0 HA MET A 91 -5.151 7.028 -2.008 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.874 6.234 0.834 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.722 7.367 -0.200 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.945 5.237 -1.787 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.695 4.367 -0.287 1.00 0.00 H new ATOM 0 HE1 MET A 91 -10.019 4.315 1.344 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.780 3.313 0.552 1.00 0.00 H new ATOM 0 HE3 MET A 91 -8.309 4.483 1.807 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.742 8.773 -0.991 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.880 9.814 -0.442 1.00 0.00 C ATOM 1379 C CYS A 92 -3.634 11.133 -0.313 1.00 0.00 C ATOM 1380 O CYS A 92 -3.733 11.900 -1.270 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.646 10.003 -1.327 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.442 11.183 -0.672 1.00 0.00 S ATOM 0 H CYS A 92 -4.149 8.998 -1.899 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.561 9.500 0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.157 9.038 -1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.967 10.338 -2.313 1.00 0.00 H new ATOM 0 HG CYS A 92 -0.256 10.955 0.594 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.168 11.390 0.878 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.909 12.616 1.110 1.00 0.00 C ATOM 1390 C GLY A 93 -6.312 12.562 0.540 1.00 0.00 C ATOM 1391 O GLY A 93 -7.276 12.309 1.264 1.00 0.00 O ATOM 0 H GLY A 93 -4.100 10.771 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.963 12.807 2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.371 13.452 0.664 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.430 12.801 -0.762 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.726 12.779 -1.430 1.00 0.00 C ATOM 1397 C LYS A 94 -7.713 11.813 -2.610 1.00 0.00 C ATOM 1398 O LYS A 94 -8.634 11.015 -2.780 1.00 0.00 O ATOM 1399 CB LYS A 94 -8.098 14.184 -1.911 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.586 14.478 -1.834 1.00 0.00 C ATOM 1401 CD LYS A 94 -9.851 15.870 -1.286 1.00 0.00 C ATOM 1402 CE LYS A 94 -10.143 15.836 0.206 1.00 0.00 C ATOM 1403 NZ LYS A 94 -8.902 15.983 1.017 1.00 0.00 N ATOM 0 H LYS A 94 -5.643 13.012 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.472 12.438 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.559 14.919 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.765 14.306 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.028 14.386 -2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.072 13.737 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.987 16.507 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.695 16.315 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.839 16.636 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.633 14.896 0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.143 15.955 2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.248 15.205 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.448 16.892 0.795 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.662 11.891 -3.422 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.531 11.022 -4.585 1.00 0.00 C ATOM 1419 C GLU A 95 -6.287 9.576 -4.160 1.00 0.00 C ATOM 1420 O GLU A 95 -6.025 9.298 -2.990 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.387 11.501 -5.481 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.654 12.843 -6.143 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.971 12.871 -6.895 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.047 12.260 -7.981 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -7.925 13.504 -6.396 1.00 0.00 O ATOM 0 H GLU A 95 -5.891 12.546 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.465 11.065 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.477 11.573 -4.886 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.204 10.754 -6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.657 13.624 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.841 13.072 -6.832 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.375 8.661 -5.119 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.166 7.244 -4.845 1.00 0.00 C ATOM 1434 C ARG A 96 -5.986 6.460 -6.141 1.00 0.00 C ATOM 1435 O ARG A 96 -6.640 6.742 -7.147 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.345 6.677 -4.053 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.675 6.781 -4.781 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.700 5.813 -4.211 1.00 0.00 C ATOM 1439 NE ARG A 96 -11.061 6.156 -4.615 1.00 0.00 N ATOM 1440 CZ ARG A 96 -12.115 5.383 -4.377 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -11.966 4.230 -3.741 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -13.322 5.764 -4.776 1.00 0.00 N ATOM 0 H ARG A 96 -6.590 8.875 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.257 7.145 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.147 5.630 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.419 7.204 -3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.054 7.800 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.528 6.574 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.467 4.801 -4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.634 5.814 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.210 7.037 -5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.040 3.934 -3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.777 3.639 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.441 6.651 -5.266 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.131 5.170 -4.593 1.00 0.00 H new ATOM 1456 N THR A 97 -5.095 5.474 -6.112 1.00 0.00 N ATOM 1457 CA THR A 97 -4.828 4.650 -7.284 1.00 0.00 C ATOM 1458 C THR A 97 -4.747 3.174 -6.912 1.00 0.00 C ATOM 1459 O THR A 97 -4.194 2.816 -5.872 1.00 0.00 O ATOM 1460 CB THR A 97 -3.516 5.066 -7.976 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.269 4.223 -9.106 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.344 4.983 -7.009 1.00 0.00 C ATOM 0 H THR A 97 -4.546 5.227 -5.289 1.00 0.00 H new ATOM 0 HA THR A 97 -5.658 4.803 -7.973 1.00 0.00 H new ATOM 0 HB THR A 97 -3.619 6.099 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.389 4.738 -9.931 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.429 5.281 -7.520 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.521 5.649 -6.164 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.241 3.959 -6.649 1.00 0.00 H new ATOM 1470 N SER A 98 -5.301 2.322 -7.768 1.00 0.00 N ATOM 1471 CA SER A 98 -5.294 0.883 -7.527 1.00 0.00 C ATOM 1472 C SER A 98 -4.519 0.153 -8.620 1.00 0.00 C ATOM 1473 O SER A 98 -4.290 0.695 -9.700 1.00 0.00 O ATOM 1474 CB SER A 98 -6.727 0.350 -7.458 1.00 0.00 C ATOM 1475 OG SER A 98 -7.651 1.306 -7.946 1.00 0.00 O ATOM 0 H SER A 98 -5.760 2.602 -8.634 1.00 0.00 H new ATOM 0 HA SER A 98 -4.800 0.701 -6.573 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.806 -0.567 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.974 0.094 -6.428 1.00 0.00 H new ATOM 0 HG SER A 98 -8.559 0.940 -7.893 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.118 -1.080 -8.328 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.371 -1.886 -9.285 1.00 0.00 C ATOM 1483 C ALA A 99 -3.772 -3.355 -9.198 1.00 0.00 C ATOM 1484 O ALA A 99 -4.627 -3.727 -8.395 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.875 -1.731 -9.052 1.00 0.00 C ATOM 0 H ALA A 99 -4.298 -1.542 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.611 -1.530 -10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.329 -2.339 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.594 -0.685 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.628 -2.059 -8.042 1.00 0.00 H new ATOM 1491 N MET A 100 -3.150 -4.184 -10.030 1.00 0.00 N ATOM 1492 CA MET A 100 -3.443 -5.612 -10.045 1.00 0.00 C ATOM 1493 C MET A 100 -2.156 -6.431 -10.009 1.00 0.00 C ATOM 1494 O MET A 100 -1.320 -6.333 -10.908 1.00 0.00 O ATOM 1495 CB MET A 100 -4.257 -5.974 -11.289 1.00 0.00 C ATOM 1496 CG MET A 100 -5.706 -5.521 -11.220 1.00 0.00 C ATOM 1497 SD MET A 100 -6.864 -6.901 -11.167 1.00 0.00 S ATOM 1498 CE MET A 100 -6.349 -7.718 -9.659 1.00 0.00 C ATOM 0 H MET A 100 -2.441 -3.892 -10.702 1.00 0.00 H new ATOM 0 HA MET A 100 -4.028 -5.847 -9.156 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.786 -5.526 -12.164 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.229 -7.055 -11.430 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.847 -4.900 -10.335 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.929 -4.898 -12.086 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.996 -8.574 -9.470 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.319 -8.058 -9.763 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.418 -7.020 -8.825 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.004 -7.239 -8.965 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.819 -8.076 -8.812 1.00 0.00 C ATOM 1510 C LEU A 101 -1.131 -9.530 -9.151 1.00 0.00 C ATOM 1511 O LEU A 101 -2.117 -10.093 -8.675 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.282 -7.978 -7.383 1.00 0.00 C ATOM 1513 CG LEU A 101 0.935 -8.845 -7.062 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.130 -8.419 -7.900 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.268 -8.770 -5.579 1.00 0.00 C ATOM 0 H LEU A 101 -2.686 -7.332 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.059 -7.716 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.025 -6.938 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.085 -8.245 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 101 0.695 -9.879 -7.308 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.987 -9.048 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.889 -8.526 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.372 -7.378 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.137 -9.394 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.488 -7.738 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.418 -9.125 -4.997 1.00 0.00 H new ATOM 1527 N THR A 102 -0.282 -10.135 -9.977 1.00 0.00 N ATOM 1528 CA THR A 102 -0.466 -11.524 -10.379 1.00 0.00 C ATOM 1529 C THR A 102 0.674 -12.399 -9.872 1.00 0.00 C ATOM 1530 O THR A 102 1.847 -12.095 -10.088 1.00 0.00 O ATOM 1531 CB THR A 102 -0.559 -11.657 -11.911 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.630 -10.848 -12.410 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.781 -13.107 -12.315 1.00 0.00 C ATOM 0 H THR A 102 0.539 -9.684 -10.380 1.00 0.00 H new ATOM 0 HA THR A 102 -1.403 -11.861 -9.935 1.00 0.00 H new ATOM 0 HB THR A 102 0.383 -11.316 -12.341 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.681 -10.937 -13.385 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.844 -13.177 -13.401 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.051 -13.715 -11.960 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.710 -13.469 -11.874 1.00 0.00 H new ATOM 1541 N VAL A 103 0.322 -13.488 -9.196 1.00 0.00 N ATOM 1542 CA VAL A 103 1.317 -14.409 -8.659 1.00 0.00 C ATOM 1543 C VAL A 103 1.277 -15.747 -9.389 1.00 0.00 C ATOM 1544 O VAL A 103 0.381 -16.561 -9.166 1.00 0.00 O ATOM 1545 CB VAL A 103 1.102 -14.652 -7.153 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.205 -15.537 -6.592 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.036 -13.329 -6.405 1.00 0.00 C ATOM 0 H VAL A 103 -0.644 -13.754 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 103 2.292 -13.945 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 103 0.151 -15.168 -7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.036 -15.698 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.200 -16.497 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.170 -15.052 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.884 -13.519 -5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.970 -12.784 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.207 -12.735 -6.790 1.00 0.00 H new ATOM 1557 N ARG A 104 2.255 -15.968 -10.261 1.00 0.00 N ATOM 1558 CA ARG A 104 2.332 -17.207 -11.025 1.00 0.00 C ATOM 1559 C ARG A 104 2.794 -18.363 -10.142 1.00 0.00 C ATOM 1560 O ARG A 104 3.122 -18.169 -8.972 1.00 0.00 O ATOM 1561 CB ARG A 104 3.287 -17.043 -12.209 1.00 0.00 C ATOM 1562 CG ARG A 104 2.849 -15.979 -13.202 1.00 0.00 C ATOM 1563 CD ARG A 104 3.657 -16.051 -14.488 1.00 0.00 C ATOM 1564 NE ARG A 104 5.051 -15.670 -14.281 1.00 0.00 N ATOM 1565 CZ ARG A 104 5.990 -15.779 -15.215 1.00 0.00 C ATOM 1566 NH1 ARG A 104 5.684 -16.255 -16.414 1.00 0.00 N ATOM 1567 NH2 ARG A 104 7.237 -15.411 -14.950 1.00 0.00 N ATOM 0 H ARG A 104 3.005 -15.305 -10.456 1.00 0.00 H new ATOM 0 HA ARG A 104 1.334 -17.435 -11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.278 -16.791 -11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.376 -17.997 -12.728 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.790 -16.105 -13.429 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.964 -14.992 -12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.614 -17.064 -14.887 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.209 -15.395 -15.235 1.00 0.00 H new ATOM 0 HE ARG A 104 5.319 -15.300 -13.369 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.726 -16.538 -16.621 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.406 -16.338 -17.129 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.476 -15.044 -14.029 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.957 -15.495 -15.668 1.00 0.00 H new ATOM 1581 N ALA A 105 2.815 -19.564 -10.710 1.00 0.00 N ATOM 1582 CA ALA A 105 3.238 -20.749 -9.975 1.00 0.00 C ATOM 1583 C ALA A 105 4.679 -21.117 -10.309 1.00 0.00 C ATOM 1584 O ALA A 105 5.170 -20.818 -11.397 1.00 0.00 O ATOM 1585 CB ALA A 105 2.309 -21.916 -10.278 1.00 0.00 C ATOM 0 H ALA A 105 2.544 -19.742 -11.677 1.00 0.00 H new ATOM 0 HA ALA A 105 3.186 -20.524 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.636 -22.795 -9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.292 -21.658 -9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.333 -22.132 -11.346 1.00 0.00 H new ATOM 1591 N MET A 106 5.353 -21.767 -9.365 1.00 0.00 N ATOM 1592 CA MET A 106 6.739 -22.176 -9.561 1.00 0.00 C ATOM 1593 C MET A 106 6.882 -23.033 -10.815 1.00 0.00 C ATOM 1594 O MET A 106 5.913 -23.596 -11.324 1.00 0.00 O ATOM 1595 CB MET A 106 7.241 -22.950 -8.341 1.00 0.00 C ATOM 1596 CG MET A 106 8.075 -22.109 -7.388 1.00 0.00 C ATOM 1597 SD MET A 106 8.938 -23.103 -6.156 1.00 0.00 S ATOM 1598 CE MET A 106 7.556 -23.811 -5.263 1.00 0.00 C ATOM 0 H MET A 106 4.962 -22.021 -8.458 1.00 0.00 H new ATOM 0 HA MET A 106 7.342 -21.277 -9.687 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.385 -23.355 -7.801 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.836 -23.799 -8.679 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.803 -21.534 -7.960 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.429 -21.392 -6.882 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.920 -24.307 -4.363 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.859 -23.020 -4.985 1.00 0.00 H new ATOM 0 HE3 MET A 106 7.047 -24.537 -5.897 1.00 0.00 H new ATOM 1608 N PRO A 107 8.117 -23.134 -11.326 1.00 0.00 N ATOM 1609 CA PRO A 107 8.415 -23.920 -12.527 1.00 0.00 C ATOM 1610 C PRO A 107 8.287 -25.420 -12.284 1.00 0.00 C ATOM 1611 O PRO A 107 9.279 -26.106 -12.036 1.00 0.00 O ATOM 1612 CB PRO A 107 9.868 -23.552 -12.841 1.00 0.00 C ATOM 1613 CG PRO A 107 10.444 -23.135 -11.532 1.00 0.00 C ATOM 1614 CD PRO A 107 9.319 -22.489 -10.771 1.00 0.00 C ATOM 0 HA PRO A 107 7.721 -23.703 -13.339 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.410 -24.400 -13.260 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.923 -22.746 -13.573 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.840 -23.993 -10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.270 -22.438 -11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.408 -22.661 -9.698 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.301 -21.409 -10.920 1.00 0.00 H new