USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 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 68 GLN : amide:sc= 0.00333 K(o=-0.078,f=-0.72) USER MOD Set 1.2: A 73 CYS SG : rot 120:sc= -0.0817 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -45:sc= 0.965 USER MOD Single : A 28 ASN : amide:sc= 0.196 K(o=0.2,f=-1.8!) 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 41 CYS SG : 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 -161:sc= -0.0173 (180deg=-0.194) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -63:sc= 0.997 USER MOD Single : A 64 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.43) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.4) USER MOD Single : A 88 TYR OH : rot -41:sc= 1.14 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot -53:sc= -3.79! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 120:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 157:sc= -1.19 (180deg=-1.26) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.670 17.309 -3.561 1.00 0.00 N ATOM 259 CA ILE A 20 -1.675 16.364 -4.052 1.00 0.00 C ATOM 260 C ILE A 20 -2.311 15.321 -4.965 1.00 0.00 C ATOM 261 O ILE A 20 -3.374 14.779 -4.662 1.00 0.00 O ATOM 262 CB ILE A 20 -0.960 15.646 -2.892 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.304 16.667 -1.960 1.00 0.00 C ATOM 264 CG2 ILE A 20 0.076 14.671 -3.431 1.00 0.00 C ATOM 265 CD1 ILE A 20 0.141 16.079 -0.639 1.00 0.00 C ATOM 0 HA ILE A 20 -0.944 16.941 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.699 15.082 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.558 17.105 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.007 17.478 -1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.573 14.171 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.416 13.928 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.814 15.214 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.597 16.859 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.721 15.666 -0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.869 15.288 -0.820 1.00 0.00 H new ATOM 277 N LYS A 21 -1.652 15.043 -6.085 1.00 0.00 N ATOM 278 CA LYS A 21 -2.149 14.063 -7.043 1.00 0.00 C ATOM 279 C LYS A 21 -1.120 12.962 -7.279 1.00 0.00 C ATOM 280 O LYS A 21 -0.054 12.952 -6.663 1.00 0.00 O ATOM 281 CB LYS A 21 -2.496 14.744 -8.368 1.00 0.00 C ATOM 282 CG LYS A 21 -1.284 15.267 -9.119 1.00 0.00 C ATOM 283 CD LYS A 21 -1.641 16.453 -9.999 1.00 0.00 C ATOM 284 CE LYS A 21 -1.132 17.759 -9.408 1.00 0.00 C ATOM 285 NZ LYS A 21 -1.353 18.908 -10.329 1.00 0.00 N ATOM 0 H LYS A 21 -0.771 15.483 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.050 13.611 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.028 14.035 -9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.178 15.572 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.513 15.561 -8.407 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.864 14.471 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.215 16.312 -10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.723 16.505 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.637 17.950 -8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.068 17.668 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.993 19.779 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.850 18.738 -11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.371 19.011 -10.518 1.00 0.00 H new ATOM 299 N PHE A 22 -1.444 12.037 -8.177 1.00 0.00 N ATOM 300 CA PHE A 22 -0.547 10.933 -8.495 1.00 0.00 C ATOM 301 C PHE A 22 0.099 11.133 -9.863 1.00 0.00 C ATOM 302 O PHE A 22 -0.590 11.304 -10.869 1.00 0.00 O ATOM 303 CB PHE A 22 -1.309 9.606 -8.468 1.00 0.00 C ATOM 304 CG PHE A 22 -1.376 8.981 -7.104 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.327 9.393 -6.185 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.488 7.981 -6.742 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.390 8.820 -4.928 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.546 7.403 -5.487 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.499 7.823 -4.580 1.00 0.00 C ATOM 0 H PHE A 22 -2.321 12.031 -8.697 1.00 0.00 H new ATOM 0 HA PHE A 22 0.240 10.909 -7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.323 9.771 -8.834 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.832 8.908 -9.156 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.027 10.170 -6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.258 7.649 -7.448 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.135 9.151 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.152 6.625 -5.217 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.548 7.373 -3.600 1.00 0.00 H new ATOM 319 N THR A 23 1.428 11.113 -9.892 1.00 0.00 N ATOM 320 CA THR A 23 2.168 11.294 -11.134 1.00 0.00 C ATOM 321 C THR A 23 2.410 9.959 -11.830 1.00 0.00 C ATOM 322 O THR A 23 2.461 9.890 -13.057 1.00 0.00 O ATOM 323 CB THR A 23 3.523 11.983 -10.885 1.00 0.00 C ATOM 324 OG1 THR A 23 4.392 11.106 -10.158 1.00 0.00 O ATOM 325 CG2 THR A 23 3.337 13.278 -10.109 1.00 0.00 C ATOM 0 H THR A 23 2.014 10.973 -9.069 1.00 0.00 H new ATOM 0 HA THR A 23 1.558 11.930 -11.776 1.00 0.00 H new ATOM 0 HB THR A 23 3.969 12.218 -11.851 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.896 10.690 -9.422 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.307 13.747 -9.945 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.699 13.954 -10.678 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.871 13.062 -9.147 1.00 0.00 H new ATOM 333 N GLU A 24 2.557 8.902 -11.037 1.00 0.00 N ATOM 334 CA GLU A 24 2.793 7.569 -11.579 1.00 0.00 C ATOM 335 C GLU A 24 2.005 6.518 -10.803 1.00 0.00 C ATOM 336 O GLU A 24 2.553 5.820 -9.951 1.00 0.00 O ATOM 337 CB GLU A 24 4.286 7.235 -11.540 1.00 0.00 C ATOM 338 CG GLU A 24 5.091 7.916 -12.634 1.00 0.00 C ATOM 339 CD GLU A 24 6.500 7.368 -12.749 1.00 0.00 C ATOM 340 OE1 GLU A 24 6.798 6.352 -12.086 1.00 0.00 O ATOM 341 OE2 GLU A 24 7.305 7.955 -13.502 1.00 0.00 O ATOM 0 H GLU A 24 2.517 8.943 -10.019 1.00 0.00 H new ATOM 0 HA GLU A 24 2.453 7.561 -12.615 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.689 7.525 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.411 6.156 -11.627 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.578 7.792 -13.588 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.137 8.986 -12.433 1.00 0.00 H new ATOM 348 N GLY A 25 0.714 6.413 -11.103 1.00 0.00 N ATOM 349 CA GLY A 25 -0.129 5.446 -10.424 1.00 0.00 C ATOM 350 C GLY A 25 0.428 4.039 -10.497 1.00 0.00 C ATOM 351 O GLY A 25 1.152 3.697 -11.434 1.00 0.00 O ATOM 0 H GLY A 25 0.237 6.980 -11.804 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.240 5.736 -9.379 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.125 5.463 -10.867 1.00 0.00 H new ATOM 355 N LEU A 26 0.093 3.219 -9.507 1.00 0.00 N ATOM 356 CA LEU A 26 0.566 1.840 -9.461 1.00 0.00 C ATOM 357 C LEU A 26 0.261 1.116 -10.769 1.00 0.00 C ATOM 358 O LEU A 26 -0.652 1.497 -11.502 1.00 0.00 O ATOM 359 CB LEU A 26 -0.081 1.097 -8.291 1.00 0.00 C ATOM 360 CG LEU A 26 0.224 1.645 -6.897 1.00 0.00 C ATOM 361 CD1 LEU A 26 -0.884 1.274 -5.924 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.567 1.129 -6.402 1.00 0.00 C ATOM 0 H LEU A 26 -0.505 3.485 -8.725 1.00 0.00 H new ATOM 0 HA LEU A 26 1.647 1.857 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.161 1.105 -8.434 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.237 0.055 -8.328 1.00 0.00 H new ATOM 0 HG LEU A 26 0.277 2.732 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.650 1.672 -4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.828 1.694 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.969 0.189 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.767 1.530 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.544 0.040 -6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.354 1.447 -7.086 1.00 0.00 H new ATOM 374 N ARG A 27 1.030 0.071 -11.054 1.00 0.00 N ATOM 375 CA ARG A 27 0.842 -0.707 -12.273 1.00 0.00 C ATOM 376 C ARG A 27 0.730 -2.195 -11.956 1.00 0.00 C ATOM 377 O ARG A 27 1.387 -2.698 -11.045 1.00 0.00 O ATOM 378 CB ARG A 27 2.002 -0.467 -13.241 1.00 0.00 C ATOM 379 CG ARG A 27 3.337 -0.985 -12.732 1.00 0.00 C ATOM 380 CD ARG A 27 4.502 -0.260 -13.387 1.00 0.00 C ATOM 381 NE ARG A 27 5.718 -1.069 -13.392 1.00 0.00 N ATOM 382 CZ ARG A 27 5.877 -2.152 -14.145 1.00 0.00 C ATOM 383 NH1 ARG A 27 4.904 -2.552 -14.951 1.00 0.00 N ATOM 384 NH2 ARG A 27 7.013 -2.836 -14.094 1.00 0.00 N ATOM 0 H ARG A 27 1.790 -0.257 -10.457 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.087 -0.382 -12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.775 -0.947 -14.193 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.087 0.602 -13.435 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.390 -0.858 -11.651 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.414 -2.054 -12.931 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.236 0.001 -14.411 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.691 0.674 -12.858 1.00 0.00 H new ATOM 0 HE ARG A 27 6.487 -0.787 -12.784 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.030 -2.028 -14.995 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.029 -3.384 -15.528 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.765 -2.530 -13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.134 -3.667 -14.672 1.00 0.00 H new ATOM 398 N ASN A 28 -0.108 -2.895 -12.714 1.00 0.00 N ATOM 399 CA ASN A 28 -0.308 -4.326 -12.513 1.00 0.00 C ATOM 400 C ASN A 28 1.016 -5.078 -12.612 1.00 0.00 C ATOM 401 O ASN A 28 1.655 -5.094 -13.663 1.00 0.00 O ATOM 402 CB ASN A 28 -1.296 -4.874 -13.544 1.00 0.00 C ATOM 403 CG ASN A 28 -1.005 -4.375 -14.947 1.00 0.00 C ATOM 404 OD1 ASN A 28 -1.330 -3.240 -15.294 1.00 0.00 O ATOM 405 ND2 ASN A 28 -0.389 -5.225 -15.760 1.00 0.00 N ATOM 0 H ASN A 28 -0.659 -2.495 -13.473 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.717 -4.474 -11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.260 -5.963 -13.534 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.309 -4.586 -13.262 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.166 -4.946 -16.716 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.138 -6.157 -15.429 1.00 0.00 H new ATOM 412 N GLU A 29 1.419 -5.702 -11.509 1.00 0.00 N ATOM 413 CA GLU A 29 2.667 -6.456 -11.472 1.00 0.00 C ATOM 414 C GLU A 29 2.394 -7.957 -11.453 1.00 0.00 C ATOM 415 O GLU A 29 1.382 -8.407 -10.918 1.00 0.00 O ATOM 416 CB GLU A 29 3.491 -6.060 -10.245 1.00 0.00 C ATOM 417 CG GLU A 29 4.831 -5.431 -10.589 1.00 0.00 C ATOM 418 CD GLU A 29 5.742 -6.377 -11.347 1.00 0.00 C ATOM 419 OE1 GLU A 29 5.955 -7.510 -10.867 1.00 0.00 O ATOM 420 OE2 GLU A 29 6.241 -5.984 -12.423 1.00 0.00 O ATOM 0 H GLU A 29 0.900 -5.700 -10.631 1.00 0.00 H new ATOM 0 HA GLU A 29 3.233 -6.219 -12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.914 -5.359 -9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.661 -6.944 -9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.665 -4.535 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.326 -5.114 -9.671 1.00 0.00 H new ATOM 427 N GLU A 30 3.306 -8.726 -12.041 1.00 0.00 N ATOM 428 CA GLU A 30 3.163 -10.176 -12.092 1.00 0.00 C ATOM 429 C GLU A 30 4.489 -10.865 -11.781 1.00 0.00 C ATOM 430 O GLU A 30 5.495 -10.628 -12.449 1.00 0.00 O ATOM 431 CB GLU A 30 2.660 -10.612 -13.470 1.00 0.00 C ATOM 432 CG GLU A 30 2.337 -12.095 -13.559 1.00 0.00 C ATOM 433 CD GLU A 30 3.140 -12.803 -14.633 1.00 0.00 C ATOM 434 OE1 GLU A 30 4.300 -12.405 -14.867 1.00 0.00 O ATOM 435 OE2 GLU A 30 2.606 -13.755 -15.240 1.00 0.00 O ATOM 0 H GLU A 30 4.150 -8.369 -12.488 1.00 0.00 H new ATOM 0 HA GLU A 30 2.435 -10.471 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.767 -10.039 -13.720 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.415 -10.368 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.533 -12.564 -12.595 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.274 -12.220 -13.764 1.00 0.00 H new ATOM 442 N ALA A 31 4.481 -11.717 -10.762 1.00 0.00 N ATOM 443 CA ALA A 31 5.681 -12.442 -10.363 1.00 0.00 C ATOM 444 C ALA A 31 5.384 -13.922 -10.150 1.00 0.00 C ATOM 445 O ALA A 31 4.225 -14.325 -10.044 1.00 0.00 O ATOM 446 CB ALA A 31 6.269 -11.833 -9.098 1.00 0.00 C ATOM 0 H ALA A 31 3.657 -11.922 -10.197 1.00 0.00 H new ATOM 0 HA ALA A 31 6.411 -12.357 -11.168 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.165 -12.384 -8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.528 -10.790 -9.282 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.536 -11.888 -8.293 1.00 0.00 H new ATOM 452 N THR A 32 6.438 -14.730 -10.089 1.00 0.00 N ATOM 453 CA THR A 32 6.290 -16.166 -9.891 1.00 0.00 C ATOM 454 C THR A 32 6.251 -16.516 -8.408 1.00 0.00 C ATOM 455 O THR A 32 6.805 -15.797 -7.577 1.00 0.00 O ATOM 456 CB THR A 32 7.436 -16.947 -10.561 1.00 0.00 C ATOM 457 OG1 THR A 32 7.909 -16.234 -11.709 1.00 0.00 O ATOM 458 CG2 THR A 32 6.975 -18.336 -10.976 1.00 0.00 C ATOM 0 H THR A 32 7.404 -14.414 -10.174 1.00 0.00 H new ATOM 0 HA THR A 32 5.346 -16.452 -10.354 1.00 0.00 H new ATOM 0 HB THR A 32 8.246 -17.051 -9.839 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.639 -16.736 -12.128 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.802 -18.868 -11.447 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.643 -18.887 -10.096 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.150 -18.249 -11.683 1.00 0.00 H new ATOM 466 N GLU A 33 5.593 -17.625 -8.083 1.00 0.00 N ATOM 467 CA GLU A 33 5.483 -18.069 -6.698 1.00 0.00 C ATOM 468 C GLU A 33 6.859 -18.153 -6.043 1.00 0.00 C ATOM 469 O GLU A 33 7.778 -18.768 -6.581 1.00 0.00 O ATOM 470 CB GLU A 33 4.789 -19.431 -6.630 1.00 0.00 C ATOM 471 CG GLU A 33 3.659 -19.487 -5.616 1.00 0.00 C ATOM 472 CD GLU A 33 3.451 -20.879 -5.051 1.00 0.00 C ATOM 473 OE1 GLU A 33 4.120 -21.819 -5.530 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.621 -21.029 -4.131 1.00 0.00 O ATOM 0 H GLU A 33 5.129 -18.232 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 33 4.885 -17.337 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.394 -19.678 -7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.527 -20.194 -6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.873 -18.796 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.736 -19.148 -6.087 1.00 0.00 H new ATOM 481 N GLY A 34 6.991 -17.528 -4.876 1.00 0.00 N ATOM 482 CA GLY A 34 8.257 -17.544 -4.167 1.00 0.00 C ATOM 483 C GLY A 34 9.112 -16.332 -4.480 1.00 0.00 C ATOM 484 O GLY A 34 10.000 -15.974 -3.707 1.00 0.00 O ATOM 0 H GLY A 34 6.245 -17.012 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.069 -17.585 -3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.805 -18.449 -4.429 1.00 0.00 H new ATOM 488 N ALA A 35 8.845 -15.699 -5.618 1.00 0.00 N ATOM 489 CA ALA A 35 9.597 -14.521 -6.031 1.00 0.00 C ATOM 490 C ALA A 35 9.325 -13.343 -5.102 1.00 0.00 C ATOM 491 O ALA A 35 8.653 -13.486 -4.079 1.00 0.00 O ATOM 492 CB ALA A 35 9.253 -14.153 -7.467 1.00 0.00 C ATOM 0 H ALA A 35 8.114 -15.983 -6.270 1.00 0.00 H new ATOM 0 HA ALA A 35 10.659 -14.759 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.822 -13.271 -7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.504 -14.984 -8.126 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.187 -13.939 -7.542 1.00 0.00 H new ATOM 498 N THR A 36 9.852 -12.177 -5.462 1.00 0.00 N ATOM 499 CA THR A 36 9.668 -10.974 -4.659 1.00 0.00 C ATOM 500 C THR A 36 8.951 -9.888 -5.453 1.00 0.00 C ATOM 501 O THR A 36 9.400 -9.493 -6.529 1.00 0.00 O ATOM 502 CB THR A 36 11.015 -10.422 -4.157 1.00 0.00 C ATOM 503 OG1 THR A 36 11.808 -11.484 -3.614 1.00 0.00 O ATOM 504 CG2 THR A 36 10.801 -9.351 -3.099 1.00 0.00 C ATOM 0 H THR A 36 10.410 -12.040 -6.305 1.00 0.00 H new ATOM 0 HA THR A 36 9.058 -11.257 -3.801 1.00 0.00 H new ATOM 0 HB THR A 36 11.537 -9.975 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.664 -11.125 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.767 -8.976 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.222 -8.531 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.260 -9.777 -2.254 1.00 0.00 H new ATOM 512 N ALA A 37 7.835 -9.408 -4.915 1.00 0.00 N ATOM 513 CA ALA A 37 7.057 -8.364 -5.572 1.00 0.00 C ATOM 514 C ALA A 37 7.225 -7.025 -4.863 1.00 0.00 C ATOM 515 O ALA A 37 7.098 -6.938 -3.641 1.00 0.00 O ATOM 516 CB ALA A 37 5.588 -8.755 -5.625 1.00 0.00 C ATOM 0 H ALA A 37 7.449 -9.725 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 37 7.429 -8.255 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.019 -7.967 -6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.479 -9.685 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.212 -8.894 -4.612 1.00 0.00 H new ATOM 522 N VAL A 38 7.512 -5.983 -5.636 1.00 0.00 N ATOM 523 CA VAL A 38 7.697 -4.647 -5.081 1.00 0.00 C ATOM 524 C VAL A 38 6.823 -3.627 -5.802 1.00 0.00 C ATOM 525 O VAL A 38 7.036 -3.332 -6.979 1.00 0.00 O ATOM 526 CB VAL A 38 9.168 -4.201 -5.170 1.00 0.00 C ATOM 527 CG1 VAL A 38 9.348 -2.824 -4.550 1.00 0.00 C ATOM 528 CG2 VAL A 38 10.075 -5.220 -4.497 1.00 0.00 C ATOM 0 H VAL A 38 7.622 -6.038 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 38 7.403 -4.696 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 38 9.447 -4.138 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.394 -2.526 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.728 -2.102 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.052 -2.855 -3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.111 -4.889 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.797 -5.317 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.967 -6.185 -4.991 1.00 0.00 H new ATOM 538 N LEU A 39 5.840 -3.089 -5.089 1.00 0.00 N ATOM 539 CA LEU A 39 4.933 -2.099 -5.661 1.00 0.00 C ATOM 540 C LEU A 39 5.265 -0.700 -5.154 1.00 0.00 C ATOM 541 O LEU A 39 5.069 -0.392 -3.978 1.00 0.00 O ATOM 542 CB LEU A 39 3.484 -2.448 -5.318 1.00 0.00 C ATOM 543 CG LEU A 39 2.887 -3.644 -6.061 1.00 0.00 C ATOM 544 CD1 LEU A 39 1.905 -4.390 -5.171 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.208 -3.190 -7.345 1.00 0.00 C ATOM 0 H LEU A 39 5.650 -3.321 -4.114 1.00 0.00 H new ATOM 0 HA LEU A 39 5.056 -2.112 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.422 -2.643 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.864 -1.575 -5.519 1.00 0.00 H new ATOM 0 HG LEU A 39 3.697 -4.325 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.491 -5.238 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.421 -4.749 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.098 -3.719 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.789 -4.054 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.409 -2.488 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.939 -2.702 -7.990 1.00 0.00 H new ATOM 557 N ARG A 40 5.765 0.145 -6.049 1.00 0.00 N ATOM 558 CA ARG A 40 6.123 1.513 -5.693 1.00 0.00 C ATOM 559 C ARG A 40 5.529 2.507 -6.687 1.00 0.00 C ATOM 560 O ARG A 40 5.180 2.143 -7.810 1.00 0.00 O ATOM 561 CB ARG A 40 7.644 1.669 -5.646 1.00 0.00 C ATOM 562 CG ARG A 40 8.357 1.048 -6.836 1.00 0.00 C ATOM 563 CD ARG A 40 9.293 2.041 -7.505 1.00 0.00 C ATOM 564 NE ARG A 40 10.214 2.654 -6.551 1.00 0.00 N ATOM 565 CZ ARG A 40 10.937 3.736 -6.819 1.00 0.00 C ATOM 566 NH1 ARG A 40 10.846 4.322 -8.005 1.00 0.00 N ATOM 567 NH2 ARG A 40 11.752 4.235 -5.899 1.00 0.00 N ATOM 0 H ARG A 40 5.932 -0.093 -7.027 1.00 0.00 H new ATOM 0 HA ARG A 40 5.712 1.724 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.891 2.730 -5.598 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.019 1.213 -4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.924 0.177 -6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.621 0.696 -7.559 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.862 1.534 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.707 2.819 -7.994 1.00 0.00 H new ATOM 0 HE ARG A 40 10.307 2.228 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.220 3.942 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.402 5.153 -8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.824 3.788 -4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.307 5.066 -6.106 1.00 0.00 H new ATOM 581 N CYS A 41 5.418 3.762 -6.265 1.00 0.00 N ATOM 582 CA CYS A 41 4.865 4.808 -7.118 1.00 0.00 C ATOM 583 C CYS A 41 5.495 6.160 -6.797 1.00 0.00 C ATOM 584 O CYS A 41 6.399 6.253 -5.967 1.00 0.00 O ATOM 585 CB CYS A 41 3.348 4.885 -6.947 1.00 0.00 C ATOM 586 SG CYS A 41 2.806 5.071 -5.232 1.00 0.00 S ATOM 0 H CYS A 41 5.703 4.079 -5.339 1.00 0.00 H new ATOM 0 HA CYS A 41 5.094 4.557 -8.154 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.970 5.725 -7.529 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.900 3.982 -7.362 1.00 0.00 H new ATOM 0 HG CYS A 41 1.508 5.129 -5.191 1.00 0.00 H new ATOM 592 N GLU A 42 5.011 7.205 -7.460 1.00 0.00 N ATOM 593 CA GLU A 42 5.528 8.552 -7.247 1.00 0.00 C ATOM 594 C GLU A 42 4.388 9.555 -7.095 1.00 0.00 C ATOM 595 O GLU A 42 3.509 9.647 -7.952 1.00 0.00 O ATOM 596 CB GLU A 42 6.434 8.964 -8.408 1.00 0.00 C ATOM 597 CG GLU A 42 7.206 10.248 -8.152 1.00 0.00 C ATOM 598 CD GLU A 42 7.850 10.801 -9.408 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.748 10.131 -9.960 1.00 0.00 O ATOM 600 OE2 GLU A 42 7.457 11.905 -9.839 1.00 0.00 O ATOM 0 H GLU A 42 4.262 7.145 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 42 6.110 8.548 -6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.141 8.159 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.827 9.087 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.532 10.996 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.977 10.061 -7.405 1.00 0.00 H new ATOM 607 N LEU A 43 4.410 10.305 -5.999 1.00 0.00 N ATOM 608 CA LEU A 43 3.379 11.302 -5.733 1.00 0.00 C ATOM 609 C LEU A 43 3.858 12.697 -6.120 1.00 0.00 C ATOM 610 O LEU A 43 5.059 12.962 -6.164 1.00 0.00 O ATOM 611 CB LEU A 43 2.987 11.277 -4.255 1.00 0.00 C ATOM 612 CG LEU A 43 2.273 10.014 -3.771 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.467 9.832 -2.273 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.792 10.074 -4.115 1.00 0.00 C ATOM 0 H LEU A 43 5.131 10.242 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 43 2.506 11.057 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.889 11.412 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.343 12.133 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 43 2.710 9.155 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.952 8.928 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.531 9.743 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.057 10.694 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.300 9.167 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.341 10.942 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.672 10.156 -5.195 1.00 0.00 H new ATOM 626 N SER A 44 2.910 13.586 -6.399 1.00 0.00 N ATOM 627 CA SER A 44 3.235 14.955 -6.784 1.00 0.00 C ATOM 628 C SER A 44 3.931 15.690 -5.643 1.00 0.00 C ATOM 629 O SER A 44 4.778 16.554 -5.870 1.00 0.00 O ATOM 630 CB SER A 44 1.967 15.707 -7.192 1.00 0.00 C ATOM 631 OG SER A 44 2.006 17.052 -6.747 1.00 0.00 O ATOM 0 H SER A 44 1.911 13.383 -6.366 1.00 0.00 H new ATOM 0 HA SER A 44 3.915 14.915 -7.635 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.859 15.682 -8.276 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.093 15.207 -6.773 1.00 0.00 H new ATOM 0 HG SER A 44 1.185 17.511 -7.022 1.00 0.00 H new ATOM 637 N LYS A 45 3.568 15.340 -4.414 1.00 0.00 N ATOM 638 CA LYS A 45 4.156 15.964 -3.235 1.00 0.00 C ATOM 639 C LYS A 45 4.167 14.996 -2.056 1.00 0.00 C ATOM 640 O LYS A 45 3.310 14.119 -1.953 1.00 0.00 O ATOM 641 CB LYS A 45 3.382 17.230 -2.862 1.00 0.00 C ATOM 642 CG LYS A 45 4.271 18.437 -2.619 1.00 0.00 C ATOM 643 CD LYS A 45 3.505 19.570 -1.956 1.00 0.00 C ATOM 644 CE LYS A 45 3.246 19.281 -0.485 1.00 0.00 C ATOM 645 NZ LYS A 45 1.819 19.503 -0.120 1.00 0.00 N ATOM 0 H LYS A 45 2.869 14.627 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 45 5.185 16.232 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.677 17.463 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.795 17.035 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.113 18.149 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.685 18.782 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.070 20.497 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.556 19.720 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.522 18.250 -0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.882 19.920 0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.683 19.296 0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.563 20.493 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.214 18.875 -0.687 1.00 0.00 H new ATOM 659 N MET A 46 5.141 15.164 -1.167 1.00 0.00 N ATOM 660 CA MET A 46 5.261 14.306 0.006 1.00 0.00 C ATOM 661 C MET A 46 3.967 14.309 0.815 1.00 0.00 C ATOM 662 O MET A 46 3.391 15.364 1.077 1.00 0.00 O ATOM 663 CB MET A 46 6.426 14.766 0.884 1.00 0.00 C ATOM 664 CG MET A 46 6.670 13.871 2.088 1.00 0.00 C ATOM 665 SD MET A 46 6.422 14.731 3.654 1.00 0.00 S ATOM 666 CE MET A 46 7.753 15.928 3.597 1.00 0.00 C ATOM 0 H MET A 46 5.858 15.886 -1.237 1.00 0.00 H new ATOM 0 HA MET A 46 5.453 13.289 -0.336 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.333 14.804 0.280 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.231 15.781 1.230 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.000 13.012 2.039 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.688 13.484 2.048 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.951 16.300 4.602 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.651 15.454 3.201 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.467 16.759 2.953 1.00 0.00 H new ATOM 676 N ALA A 47 3.518 13.122 1.209 1.00 0.00 N ATOM 677 CA ALA A 47 2.294 12.989 1.989 1.00 0.00 C ATOM 678 C ALA A 47 2.081 11.546 2.434 1.00 0.00 C ATOM 679 O ALA A 47 2.647 10.608 1.872 1.00 0.00 O ATOM 680 CB ALA A 47 1.099 13.477 1.184 1.00 0.00 C ATOM 0 H ALA A 47 3.984 12.239 1.001 1.00 0.00 H new ATOM 0 HA ALA A 47 2.393 13.606 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.192 13.372 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.241 14.525 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.007 12.884 0.274 1.00 0.00 H new ATOM 686 N PRO A 48 1.247 11.362 3.468 1.00 0.00 N ATOM 687 CA PRO A 48 0.941 10.035 4.011 1.00 0.00 C ATOM 688 C PRO A 48 0.098 9.197 3.056 1.00 0.00 C ATOM 689 O PRO A 48 -0.709 9.730 2.294 1.00 0.00 O ATOM 690 CB PRO A 48 0.152 10.347 5.286 1.00 0.00 C ATOM 691 CG PRO A 48 -0.449 11.688 5.041 1.00 0.00 C ATOM 692 CD PRO A 48 0.538 12.434 4.186 1.00 0.00 C ATOM 0 HA PRO A 48 1.843 9.448 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.617 9.596 5.470 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.802 10.358 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.412 11.598 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.628 12.213 5.979 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.039 13.116 3.498 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.220 13.033 4.789 1.00 0.00 H new ATOM 700 N VAL A 49 0.290 7.883 3.101 1.00 0.00 N ATOM 701 CA VAL A 49 -0.454 6.971 2.240 1.00 0.00 C ATOM 702 C VAL A 49 -0.948 5.758 3.020 1.00 0.00 C ATOM 703 O VAL A 49 -0.523 5.521 4.151 1.00 0.00 O ATOM 704 CB VAL A 49 0.406 6.491 1.056 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.785 7.661 0.161 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.647 5.769 1.557 1.00 0.00 C ATOM 0 H VAL A 49 0.955 7.426 3.725 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.311 7.525 1.857 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.182 5.788 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.392 7.302 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.119 8.130 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.354 8.391 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.243 5.437 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.239 6.447 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.350 4.905 2.152 1.00 0.00 H new ATOM 716 N GLU A 50 -1.846 4.993 2.408 1.00 0.00 N ATOM 717 CA GLU A 50 -2.398 3.804 3.047 1.00 0.00 C ATOM 718 C GLU A 50 -2.571 2.674 2.036 1.00 0.00 C ATOM 719 O GLU A 50 -3.307 2.810 1.058 1.00 0.00 O ATOM 720 CB GLU A 50 -3.743 4.127 3.702 1.00 0.00 C ATOM 721 CG GLU A 50 -3.628 5.050 4.903 1.00 0.00 C ATOM 722 CD GLU A 50 -3.773 6.513 4.531 1.00 0.00 C ATOM 723 OE1 GLU A 50 -4.735 6.848 3.809 1.00 0.00 O ATOM 724 OE2 GLU A 50 -2.924 7.322 4.961 1.00 0.00 O ATOM 0 H GLU A 50 -2.207 5.175 1.471 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.697 3.477 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.397 4.588 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.219 3.197 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.394 4.787 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.662 4.895 5.384 1.00 0.00 H new ATOM 731 N TRP A 51 -1.887 1.562 2.278 1.00 0.00 N ATOM 732 CA TRP A 51 -1.965 0.409 1.389 1.00 0.00 C ATOM 733 C TRP A 51 -3.159 -0.472 1.741 1.00 0.00 C ATOM 734 O TRP A 51 -3.156 -1.156 2.764 1.00 0.00 O ATOM 735 CB TRP A 51 -0.673 -0.408 1.465 1.00 0.00 C ATOM 736 CG TRP A 51 0.518 0.312 0.909 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.348 1.163 1.580 1.00 0.00 C ATOM 738 CD2 TRP A 51 1.011 0.244 -0.434 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.327 1.629 0.736 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.143 1.079 -0.505 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.607 -0.443 -1.582 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.872 1.245 -1.679 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.332 -0.276 -2.747 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.454 0.561 -2.788 1.00 0.00 C ATOM 0 H TRP A 51 -1.272 1.434 3.082 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.096 0.776 0.371 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.478 -0.670 2.505 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.810 -1.343 0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.250 1.431 2.622 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.070 2.279 0.992 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.256 -1.092 -1.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.737 1.891 -1.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.028 -0.800 -3.641 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.000 0.669 -3.713 1.00 0.00 H new ATOM 755 N TRP A 52 -4.177 -0.449 0.888 1.00 0.00 N ATOM 756 CA TRP A 52 -5.378 -1.246 1.111 1.00 0.00 C ATOM 757 C TRP A 52 -5.424 -2.438 0.161 1.00 0.00 C ATOM 758 O TRP A 52 -5.037 -2.332 -1.003 1.00 0.00 O ATOM 759 CB TRP A 52 -6.628 -0.384 0.929 1.00 0.00 C ATOM 760 CG TRP A 52 -6.815 0.628 2.019 1.00 0.00 C ATOM 761 CD1 TRP A 52 -6.221 1.854 2.109 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.652 0.499 3.174 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.638 2.495 3.251 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.517 1.685 3.920 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.503 -0.503 3.648 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.201 1.895 5.115 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.181 -0.293 4.834 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.027 0.897 5.556 1.00 0.00 C ATOM 0 H TRP A 52 -4.195 0.112 0.036 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.350 -1.621 2.134 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.569 0.132 -0.030 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.504 -1.031 0.889 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.526 2.260 1.389 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.341 3.423 3.552 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.629 -1.424 3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.084 2.812 5.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -9.841 -1.060 5.211 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.571 1.030 6.479 1.00 0.00 H new ATOM 779 N LYS A 53 -5.899 -3.572 0.664 1.00 0.00 N ATOM 780 CA LYS A 53 -5.998 -4.784 -0.141 1.00 0.00 C ATOM 781 C LYS A 53 -7.263 -5.564 0.203 1.00 0.00 C ATOM 782 O LYS A 53 -7.275 -6.368 1.133 1.00 0.00 O ATOM 783 CB LYS A 53 -4.767 -5.667 0.077 1.00 0.00 C ATOM 784 CG LYS A 53 -4.552 -6.692 -1.022 1.00 0.00 C ATOM 785 CD LYS A 53 -3.480 -7.701 -0.643 1.00 0.00 C ATOM 786 CE LYS A 53 -4.006 -9.126 -0.716 1.00 0.00 C ATOM 787 NZ LYS A 53 -4.946 -9.429 0.399 1.00 0.00 N ATOM 0 H LYS A 53 -6.222 -3.677 1.626 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.047 -4.491 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.883 -5.033 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.866 -6.185 1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.488 -7.213 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.266 -6.184 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.625 -7.593 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.125 -7.494 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.513 -9.278 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.169 -9.824 -0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.282 -10.410 0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.456 -9.309 1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.757 -8.780 0.355 1.00 0.00 H new ATOM 801 N GLY A 54 -8.328 -5.320 -0.556 1.00 0.00 N ATOM 802 CA GLY A 54 -9.583 -6.008 -0.316 1.00 0.00 C ATOM 803 C GLY A 54 -10.316 -5.472 0.897 1.00 0.00 C ATOM 804 O GLY A 54 -10.628 -6.220 1.824 1.00 0.00 O ATOM 0 H GLY A 54 -8.343 -4.658 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.221 -5.910 -1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.390 -7.072 -0.179 1.00 0.00 H new ATOM 808 N HIS A 55 -10.589 -4.171 0.895 1.00 0.00 N ATOM 809 CA HIS A 55 -11.289 -3.535 2.005 1.00 0.00 C ATOM 810 C HIS A 55 -10.581 -3.817 3.327 1.00 0.00 C ATOM 811 O HIS A 55 -11.221 -3.928 4.372 1.00 0.00 O ATOM 812 CB HIS A 55 -12.735 -4.026 2.072 1.00 0.00 C ATOM 813 CG HIS A 55 -13.540 -3.688 0.855 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.813 -4.600 -0.143 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.133 -2.531 0.478 1.00 0.00 C ATOM 816 CE1 HIS A 55 -14.538 -4.018 -1.081 1.00 0.00 C ATOM 817 NE2 HIS A 55 -14.746 -2.762 -0.728 1.00 0.00 N ATOM 0 H HIS A 55 -10.336 -3.537 0.137 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.287 -2.458 1.835 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.737 -5.107 2.210 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.217 -3.592 2.948 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.125 -1.600 1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -14.899 -4.489 -1.983 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.276 -2.075 -1.265 1.00 0.00 H new ATOM 825 N GLU A 56 -9.258 -3.933 3.271 1.00 0.00 N ATOM 826 CA GLU A 56 -8.465 -4.205 4.464 1.00 0.00 C ATOM 827 C GLU A 56 -7.174 -3.391 4.456 1.00 0.00 C ATOM 828 O GLU A 56 -6.583 -3.153 3.402 1.00 0.00 O ATOM 829 CB GLU A 56 -8.140 -5.697 4.559 1.00 0.00 C ATOM 830 CG GLU A 56 -7.564 -6.110 5.903 1.00 0.00 C ATOM 831 CD GLU A 56 -6.935 -7.490 5.869 1.00 0.00 C ATOM 832 OE1 GLU A 56 -6.320 -7.837 4.839 1.00 0.00 O ATOM 833 OE2 GLU A 56 -7.059 -8.222 6.873 1.00 0.00 O ATOM 0 H GLU A 56 -8.713 -3.843 2.413 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.053 -3.913 5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.047 -6.271 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.430 -5.956 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.815 -5.381 6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.354 -6.093 6.653 1.00 0.00 H new ATOM 840 N THR A 57 -6.742 -2.966 5.639 1.00 0.00 N ATOM 841 CA THR A 57 -5.523 -2.178 5.769 1.00 0.00 C ATOM 842 C THR A 57 -4.308 -3.075 5.979 1.00 0.00 C ATOM 843 O THR A 57 -4.334 -3.990 6.803 1.00 0.00 O ATOM 844 CB THR A 57 -5.620 -1.182 6.941 1.00 0.00 C ATOM 845 OG1 THR A 57 -6.993 -0.885 7.218 1.00 0.00 O ATOM 846 CG2 THR A 57 -4.871 0.103 6.622 1.00 0.00 C ATOM 0 H THR A 57 -7.218 -3.154 6.521 1.00 0.00 H new ATOM 0 HA THR A 57 -5.405 -1.623 4.838 1.00 0.00 H new ATOM 0 HB THR A 57 -5.164 -1.641 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.395 -0.441 6.442 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.953 0.791 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.820 -0.124 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.302 0.564 5.733 1.00 0.00 H new ATOM 854 N LEU A 58 -3.244 -2.806 5.230 1.00 0.00 N ATOM 855 CA LEU A 58 -2.018 -3.589 5.335 1.00 0.00 C ATOM 856 C LEU A 58 -1.073 -2.986 6.370 1.00 0.00 C ATOM 857 O LEU A 58 -0.974 -1.766 6.498 1.00 0.00 O ATOM 858 CB LEU A 58 -1.321 -3.666 3.975 1.00 0.00 C ATOM 859 CG LEU A 58 -2.166 -4.196 2.817 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.457 -3.967 1.491 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.471 -5.674 3.012 1.00 0.00 C ATOM 0 H LEU A 58 -3.206 -2.052 4.544 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.285 -4.595 5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.967 -2.669 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.440 -4.300 4.076 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.109 -3.650 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.073 -4.351 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.290 -2.899 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.499 -4.487 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.073 -6.034 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.538 -6.236 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.021 -5.812 3.943 1.00 0.00 H new ATOM 873 N ARG A 59 -0.380 -3.850 7.105 1.00 0.00 N ATOM 874 CA ARG A 59 0.557 -3.402 8.128 1.00 0.00 C ATOM 875 C ARG A 59 1.993 -3.737 7.734 1.00 0.00 C ATOM 876 O ARG A 59 2.229 -4.452 6.760 1.00 0.00 O ATOM 877 CB ARG A 59 0.223 -4.048 9.474 1.00 0.00 C ATOM 878 CG ARG A 59 -1.168 -3.706 9.985 1.00 0.00 C ATOM 879 CD ARG A 59 -1.257 -2.254 10.427 1.00 0.00 C ATOM 880 NE ARG A 59 -0.749 -2.063 11.783 1.00 0.00 N ATOM 881 CZ ARG A 59 -1.361 -2.521 12.869 1.00 0.00 C ATOM 882 NH1 ARG A 59 -2.498 -3.195 12.759 1.00 0.00 N ATOM 883 NH2 ARG A 59 -0.836 -2.307 14.069 1.00 0.00 N ATOM 0 H ARG A 59 -0.450 -4.863 7.011 1.00 0.00 H new ATOM 0 HA ARG A 59 0.466 -2.320 8.219 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.310 -5.130 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.960 -3.732 10.212 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.901 -3.895 9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.420 -4.358 10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.691 -1.629 9.736 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.294 -1.923 10.378 1.00 0.00 H new ATOM 0 HE ARG A 59 0.124 -1.549 11.902 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.904 -3.363 11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.966 -3.546 13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.039 -1.790 14.158 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.307 -2.659 14.902 1.00 0.00 H new ATOM 897 N ASP A 60 2.947 -3.215 8.497 1.00 0.00 N ATOM 898 CA ASP A 60 4.359 -3.459 8.228 1.00 0.00 C ATOM 899 C ASP A 60 4.890 -4.594 9.098 1.00 0.00 C ATOM 900 O ASP A 60 4.622 -4.647 10.298 1.00 0.00 O ATOM 901 CB ASP A 60 5.174 -2.188 8.473 1.00 0.00 C ATOM 902 CG ASP A 60 4.820 -1.518 9.786 1.00 0.00 C ATOM 903 OD1 ASP A 60 5.107 -2.107 10.850 1.00 0.00 O ATOM 904 OD2 ASP A 60 4.258 -0.404 9.751 1.00 0.00 O ATOM 0 H ASP A 60 2.768 -2.620 9.306 1.00 0.00 H new ATOM 0 HA ASP A 60 4.459 -3.750 7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.236 -2.434 8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.006 -1.488 7.654 1.00 0.00 H new ATOM 909 N GLY A 61 5.644 -5.501 8.485 1.00 0.00 N ATOM 910 CA GLY A 61 6.200 -6.623 9.218 1.00 0.00 C ATOM 911 C GLY A 61 7.448 -7.182 8.564 1.00 0.00 C ATOM 912 O GLY A 61 8.025 -6.557 7.675 1.00 0.00 O ATOM 0 H GLY A 61 5.880 -5.479 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.436 -6.308 10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.450 -7.410 9.295 1.00 0.00 H new ATOM 916 N ASP A 62 7.866 -8.363 9.006 1.00 0.00 N ATOM 917 CA ASP A 62 9.055 -9.007 8.459 1.00 0.00 C ATOM 918 C ASP A 62 8.847 -9.372 6.992 1.00 0.00 C ATOM 919 O ASP A 62 9.760 -9.244 6.175 1.00 0.00 O ATOM 920 CB ASP A 62 9.400 -10.260 9.265 1.00 0.00 C ATOM 921 CG ASP A 62 10.585 -11.011 8.690 1.00 0.00 C ATOM 922 OD1 ASP A 62 11.489 -10.354 8.132 1.00 0.00 O ATOM 923 OD2 ASP A 62 10.608 -12.254 8.800 1.00 0.00 O ATOM 0 H ASP A 62 7.399 -8.894 9.741 1.00 0.00 H new ATOM 0 HA ASP A 62 9.884 -8.302 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.618 -9.977 10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.534 -10.921 9.292 1.00 0.00 H new ATOM 928 N ARG A 63 7.643 -9.830 6.666 1.00 0.00 N ATOM 929 CA ARG A 63 7.317 -10.216 5.298 1.00 0.00 C ATOM 930 C ARG A 63 7.034 -8.987 4.439 1.00 0.00 C ATOM 931 O ARG A 63 7.594 -8.834 3.353 1.00 0.00 O ATOM 932 CB ARG A 63 6.106 -11.151 5.285 1.00 0.00 C ATOM 933 CG ARG A 63 6.470 -12.622 5.396 1.00 0.00 C ATOM 934 CD ARG A 63 5.366 -13.421 6.069 1.00 0.00 C ATOM 935 NE ARG A 63 5.853 -14.692 6.597 1.00 0.00 N ATOM 936 CZ ARG A 63 6.060 -15.768 5.847 1.00 0.00 C ATOM 937 NH1 ARG A 63 5.823 -15.727 4.543 1.00 0.00 N ATOM 938 NH2 ARG A 63 6.505 -16.889 6.401 1.00 0.00 N ATOM 0 H ARG A 63 6.877 -9.943 7.330 1.00 0.00 H new ATOM 0 HA ARG A 63 8.177 -10.740 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.445 -10.886 6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.546 -10.993 4.364 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.659 -13.027 4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.394 -12.727 5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.936 -12.833 6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.566 -13.609 5.352 1.00 0.00 H new ATOM 0 HE ARG A 63 6.045 -14.757 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.481 -14.867 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.983 -16.555 3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.688 -16.924 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.664 -17.715 5.824 1.00 0.00 H new ATOM 952 N HIS A 64 6.162 -8.114 4.932 1.00 0.00 N ATOM 953 CA HIS A 64 5.805 -6.899 4.209 1.00 0.00 C ATOM 954 C HIS A 64 6.687 -5.731 4.642 1.00 0.00 C ATOM 955 O HIS A 64 6.671 -5.325 5.803 1.00 0.00 O ATOM 956 CB HIS A 64 4.333 -6.555 4.443 1.00 0.00 C ATOM 957 CG HIS A 64 3.391 -7.640 4.020 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.214 -8.804 4.736 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.570 -7.731 2.948 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.326 -9.566 4.122 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.919 -8.937 3.034 1.00 0.00 N ATOM 0 H HIS A 64 5.690 -8.225 5.829 1.00 0.00 H new ATOM 0 HA HIS A 64 5.964 -7.078 3.146 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.181 -6.345 5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.091 -5.642 3.899 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.449 -6.992 2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.990 -10.538 4.453 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.233 -9.290 2.367 1.00 0.00 H new ATOM 969 N SER A 65 7.455 -5.196 3.699 1.00 0.00 N ATOM 970 CA SER A 65 8.347 -4.078 3.983 1.00 0.00 C ATOM 971 C SER A 65 7.800 -2.782 3.392 1.00 0.00 C ATOM 972 O SER A 65 7.734 -2.622 2.172 1.00 0.00 O ATOM 973 CB SER A 65 9.744 -4.357 3.424 1.00 0.00 C ATOM 974 OG SER A 65 10.619 -4.810 4.441 1.00 0.00 O ATOM 0 H SER A 65 7.478 -5.518 2.732 1.00 0.00 H new ATOM 0 HA SER A 65 8.413 -3.964 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.680 -5.106 2.635 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.146 -3.450 2.972 1.00 0.00 H new ATOM 0 HG SER A 65 11.504 -4.983 4.058 1.00 0.00 H new ATOM 980 N LEU A 66 7.409 -1.860 4.264 1.00 0.00 N ATOM 981 CA LEU A 66 6.867 -0.577 3.830 1.00 0.00 C ATOM 982 C LEU A 66 7.889 0.538 4.021 1.00 0.00 C ATOM 983 O LEU A 66 8.321 0.813 5.141 1.00 0.00 O ATOM 984 CB LEU A 66 5.589 -0.252 4.606 1.00 0.00 C ATOM 985 CG LEU A 66 4.325 -0.984 4.154 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.396 -2.456 4.533 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.088 -0.335 4.759 1.00 0.00 C ATOM 0 H LEU A 66 7.457 -1.977 5.276 1.00 0.00 H new ATOM 0 HA LEU A 66 6.631 -0.650 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.759 -0.479 5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.408 0.821 4.536 1.00 0.00 H new ATOM 0 HG LEU A 66 4.255 -0.912 3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.488 -2.961 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.261 -2.914 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.490 -2.549 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.198 -0.869 4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.151 -0.376 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.029 0.705 4.438 1.00 0.00 H new ATOM 999 N ARG A 67 8.270 1.180 2.921 1.00 0.00 N ATOM 1000 CA ARG A 67 9.240 2.267 2.968 1.00 0.00 C ATOM 1001 C ARG A 67 8.676 3.528 2.321 1.00 0.00 C ATOM 1002 O ARG A 67 7.799 3.455 1.460 1.00 0.00 O ATOM 1003 CB ARG A 67 10.534 1.854 2.263 1.00 0.00 C ATOM 1004 CG ARG A 67 11.037 0.479 2.670 1.00 0.00 C ATOM 1005 CD ARG A 67 12.276 0.083 1.882 1.00 0.00 C ATOM 1006 NE ARG A 67 13.026 -0.983 2.541 1.00 0.00 N ATOM 1007 CZ ARG A 67 13.985 -1.683 1.945 1.00 0.00 C ATOM 1008 NH1 ARG A 67 14.309 -1.430 0.684 1.00 0.00 N ATOM 1009 NH2 ARG A 67 14.623 -2.637 2.610 1.00 0.00 N ATOM 0 H ARG A 67 7.921 0.966 1.987 1.00 0.00 H new ATOM 0 HA ARG A 67 9.456 2.483 4.014 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.371 1.868 1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.306 2.592 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.266 0.475 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.251 -0.259 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.982 -0.244 0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.919 0.954 1.756 1.00 0.00 H new ATOM 0 HE ARG A 67 12.801 -1.202 3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.821 -0.696 0.170 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.046 -1.969 0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.377 -2.834 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.359 -3.174 2.151 1.00 0.00 H new ATOM 1023 N GLN A 68 9.185 4.681 2.741 1.00 0.00 N ATOM 1024 CA GLN A 68 8.730 5.958 2.203 1.00 0.00 C ATOM 1025 C GLN A 68 9.858 6.985 2.211 1.00 0.00 C ATOM 1026 O GLN A 68 10.463 7.248 3.250 1.00 0.00 O ATOM 1027 CB GLN A 68 7.542 6.482 3.011 1.00 0.00 C ATOM 1028 CG GLN A 68 6.770 7.588 2.310 1.00 0.00 C ATOM 1029 CD GLN A 68 5.440 7.884 2.975 1.00 0.00 C ATOM 1030 OE1 GLN A 68 5.216 7.520 4.130 1.00 0.00 O ATOM 1031 NE2 GLN A 68 4.548 8.547 2.248 1.00 0.00 N ATOM 0 H GLN A 68 9.912 4.758 3.452 1.00 0.00 H new ATOM 0 HA GLN A 68 8.416 5.798 1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.864 5.655 3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.901 6.853 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.374 8.495 2.296 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.597 7.304 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.776 8.830 1.295 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.635 8.774 2.643 1.00 0.00 H new ATOM 1040 N ASP A 69 10.134 7.561 1.046 1.00 0.00 N ATOM 1041 CA ASP A 69 11.189 8.560 0.919 1.00 0.00 C ATOM 1042 C ASP A 69 10.672 9.809 0.211 1.00 0.00 C ATOM 1043 O ASP A 69 10.848 9.968 -0.996 1.00 0.00 O ATOM 1044 CB ASP A 69 12.380 7.981 0.154 1.00 0.00 C ATOM 1045 CG ASP A 69 13.375 7.292 1.067 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.920 7.967 1.966 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.610 6.080 0.882 1.00 0.00 O ATOM 0 H ASP A 69 9.642 7.354 0.177 1.00 0.00 H new ATOM 0 HA ASP A 69 11.513 8.840 1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.020 7.269 -0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.883 8.781 -0.389 1.00 0.00 H new ATOM 1052 N GLY A 70 10.033 10.692 0.972 1.00 0.00 N ATOM 1053 CA GLY A 70 9.499 11.915 0.400 1.00 0.00 C ATOM 1054 C GLY A 70 8.214 11.682 -0.370 1.00 0.00 C ATOM 1055 O GLY A 70 7.147 11.525 0.223 1.00 0.00 O ATOM 0 H GLY A 70 9.875 10.583 1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.316 12.636 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.242 12.357 -0.264 1.00 0.00 H new ATOM 1059 N ALA A 71 8.315 11.662 -1.695 1.00 0.00 N ATOM 1060 CA ALA A 71 7.152 11.446 -2.546 1.00 0.00 C ATOM 1061 C ALA A 71 7.277 10.143 -3.328 1.00 0.00 C ATOM 1062 O ALA A 71 6.711 10.001 -4.412 1.00 0.00 O ATOM 1063 CB ALA A 71 6.970 12.619 -3.498 1.00 0.00 C ATOM 0 H ALA A 71 9.190 11.793 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 71 6.273 11.371 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.098 12.444 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.826 13.534 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.856 12.720 -4.125 1.00 0.00 H new ATOM 1069 N ARG A 72 8.022 9.194 -2.771 1.00 0.00 N ATOM 1070 CA ARG A 72 8.223 7.902 -3.417 1.00 0.00 C ATOM 1071 C ARG A 72 7.974 6.760 -2.437 1.00 0.00 C ATOM 1072 O ARG A 72 8.834 6.432 -1.618 1.00 0.00 O ATOM 1073 CB ARG A 72 9.642 7.805 -3.980 1.00 0.00 C ATOM 1074 CG ARG A 72 9.738 8.159 -5.455 1.00 0.00 C ATOM 1075 CD ARG A 72 11.102 7.807 -6.026 1.00 0.00 C ATOM 1076 NE ARG A 72 11.099 7.795 -7.486 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.198 7.680 -8.223 1.00 0.00 C ATOM 1078 NH1 ARG A 72 13.383 7.566 -7.638 1.00 0.00 N ATOM 1079 NH2 ARG A 72 12.114 7.677 -9.547 1.00 0.00 N ATOM 0 H ARG A 72 8.497 9.295 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 72 7.508 7.818 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.295 8.468 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 72 10.013 6.791 -3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.963 7.629 -6.008 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.551 9.225 -5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.840 8.527 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.408 6.828 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 72 10.203 7.880 -7.967 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.452 7.567 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.226 7.478 -8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.204 7.763 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.959 7.589 -10.111 1.00 0.00 H new ATOM 1093 N CYS A 73 6.793 6.157 -2.527 1.00 0.00 N ATOM 1094 CA CYS A 73 6.430 5.052 -1.647 1.00 0.00 C ATOM 1095 C CYS A 73 6.719 3.710 -2.313 1.00 0.00 C ATOM 1096 O CYS A 73 6.604 3.573 -3.530 1.00 0.00 O ATOM 1097 CB CYS A 73 4.951 5.139 -1.269 1.00 0.00 C ATOM 1098 SG CYS A 73 4.445 6.754 -0.634 1.00 0.00 S ATOM 0 H CYS A 73 6.071 6.415 -3.200 1.00 0.00 H new ATOM 0 HA CYS A 73 7.034 5.126 -0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.348 4.900 -2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.734 4.381 -0.517 1.00 0.00 H new ATOM 0 HG CYS A 73 3.519 7.250 -1.399 1.00 0.00 H new ATOM 1104 N GLU A 74 7.098 2.724 -1.505 1.00 0.00 N ATOM 1105 CA GLU A 74 7.406 1.394 -2.017 1.00 0.00 C ATOM 1106 C GLU A 74 6.973 0.316 -1.027 1.00 0.00 C ATOM 1107 O GLU A 74 7.178 0.448 0.180 1.00 0.00 O ATOM 1108 CB GLU A 74 8.904 1.268 -2.302 1.00 0.00 C ATOM 1109 CG GLU A 74 9.310 -0.098 -2.830 1.00 0.00 C ATOM 1110 CD GLU A 74 10.718 -0.110 -3.393 1.00 0.00 C ATOM 1111 OE1 GLU A 74 11.667 -0.344 -2.616 1.00 0.00 O ATOM 1112 OE2 GLU A 74 10.871 0.114 -4.612 1.00 0.00 O ATOM 0 H GLU A 74 7.199 2.821 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 74 6.853 1.253 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.193 2.029 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.458 1.474 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.238 -0.830 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.610 -0.406 -3.606 1.00 0.00 H new ATOM 1119 N LEU A 75 6.373 -0.749 -1.547 1.00 0.00 N ATOM 1120 CA LEU A 75 5.910 -1.850 -0.710 1.00 0.00 C ATOM 1121 C LEU A 75 6.457 -3.182 -1.211 1.00 0.00 C ATOM 1122 O LEU A 75 6.050 -3.676 -2.262 1.00 0.00 O ATOM 1123 CB LEU A 75 4.381 -1.891 -0.687 1.00 0.00 C ATOM 1124 CG LEU A 75 3.751 -3.182 -0.164 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.158 -3.427 1.281 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.236 -3.127 -0.291 1.00 0.00 C ATOM 0 H LEU A 75 6.196 -0.873 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 75 6.279 -1.684 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.025 -1.063 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.018 -1.718 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 75 4.116 -4.012 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.700 -4.350 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.243 -3.512 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.823 -2.594 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.805 -4.055 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.853 -2.287 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.963 -3.000 -1.339 1.00 0.00 H new ATOM 1138 N GLN A 76 7.382 -3.760 -0.451 1.00 0.00 N ATOM 1139 CA GLN A 76 7.984 -5.036 -0.818 1.00 0.00 C ATOM 1140 C GLN A 76 7.331 -6.185 -0.056 1.00 0.00 C ATOM 1141 O GLN A 76 6.909 -6.023 1.089 1.00 0.00 O ATOM 1142 CB GLN A 76 9.488 -5.014 -0.539 1.00 0.00 C ATOM 1143 CG GLN A 76 10.164 -6.360 -0.739 1.00 0.00 C ATOM 1144 CD GLN A 76 11.638 -6.230 -1.067 1.00 0.00 C ATOM 1145 OE1 GLN A 76 12.083 -6.621 -2.146 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.406 -5.677 -0.135 1.00 0.00 N ATOM 0 H GLN A 76 7.731 -3.365 0.422 1.00 0.00 H new ATOM 0 HA GLN A 76 7.822 -5.192 -1.885 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.959 -4.280 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.654 -4.682 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.048 -6.958 0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.663 -6.898 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.996 -5.367 0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.406 -5.563 -0.300 1.00 0.00 H new ATOM 1155 N ILE A 77 7.250 -7.345 -0.700 1.00 0.00 N ATOM 1156 CA ILE A 77 6.649 -8.520 -0.083 1.00 0.00 C ATOM 1157 C ILE A 77 7.469 -9.773 -0.372 1.00 0.00 C ATOM 1158 O ILE A 77 7.366 -10.360 -1.449 1.00 0.00 O ATOM 1159 CB ILE A 77 5.207 -8.740 -0.577 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.351 -7.506 -0.284 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.605 -9.975 0.077 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.054 -7.471 -1.061 1.00 0.00 C ATOM 0 H ILE A 77 7.593 -7.495 -1.649 1.00 0.00 H new ATOM 0 HA ILE A 77 6.633 -8.338 0.992 1.00 0.00 H new ATOM 0 HB ILE A 77 5.228 -8.898 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.127 -7.474 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.928 -6.611 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.586 -10.117 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.204 -10.850 -0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.593 -9.845 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.499 -6.569 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.270 -7.471 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.457 -8.348 -0.812 1.00 0.00 H new ATOM 1174 N ARG A 78 8.282 -10.178 0.598 1.00 0.00 N ATOM 1175 CA ARG A 78 9.120 -11.361 0.448 1.00 0.00 C ATOM 1176 C ARG A 78 8.345 -12.625 0.810 1.00 0.00 C ATOM 1177 O ARG A 78 7.663 -12.677 1.832 1.00 0.00 O ATOM 1178 CB ARG A 78 10.366 -11.245 1.329 1.00 0.00 C ATOM 1179 CG ARG A 78 11.460 -10.381 0.724 1.00 0.00 C ATOM 1180 CD ARG A 78 12.243 -9.641 1.798 1.00 0.00 C ATOM 1181 NE ARG A 78 13.539 -9.178 1.310 1.00 0.00 N ATOM 1182 CZ ARG A 78 14.385 -8.458 2.039 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.072 -8.121 3.282 1.00 0.00 N ATOM 1184 NH2 ARG A 78 15.546 -8.075 1.525 1.00 0.00 N ATOM 0 H ARG A 78 8.378 -9.704 1.496 1.00 0.00 H new ATOM 0 HA ARG A 78 9.426 -11.429 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.080 -10.831 2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.764 -12.243 1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.138 -11.005 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.018 -9.662 0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.661 -8.788 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.392 -10.298 2.655 1.00 0.00 H new ATOM 0 HE ARG A 78 13.810 -9.421 0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.180 -8.414 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.723 -7.568 3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.790 -8.333 0.569 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.194 -7.522 2.086 1.00 0.00 H new ATOM 1198 N GLY A 79 8.455 -13.643 -0.038 1.00 0.00 N ATOM 1199 CA GLY A 79 7.759 -14.893 0.209 1.00 0.00 C ATOM 1200 C GLY A 79 6.412 -14.953 -0.484 1.00 0.00 C ATOM 1201 O GLY A 79 5.388 -15.201 0.153 1.00 0.00 O ATOM 0 H GLY A 79 9.013 -13.625 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.377 -15.723 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.618 -15.021 1.282 1.00 0.00 H new ATOM 1205 N LEU A 80 6.411 -14.723 -1.793 1.00 0.00 N ATOM 1206 CA LEU A 80 5.179 -14.751 -2.573 1.00 0.00 C ATOM 1207 C LEU A 80 4.529 -16.129 -2.517 1.00 0.00 C ATOM 1208 O LEU A 80 5.204 -17.137 -2.306 1.00 0.00 O ATOM 1209 CB LEU A 80 5.464 -14.368 -4.026 1.00 0.00 C ATOM 1210 CG LEU A 80 5.583 -12.871 -4.315 1.00 0.00 C ATOM 1211 CD1 LEU A 80 6.003 -12.637 -5.758 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.267 -12.164 -4.020 1.00 0.00 C ATOM 0 H LEU A 80 7.249 -14.515 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 80 4.488 -14.027 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.391 -14.852 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.670 -14.776 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 80 6.351 -12.455 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.082 -11.566 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.969 -13.109 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.259 -13.068 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.370 -11.100 -4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.480 -12.584 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.007 -12.302 -2.970 1.00 0.00 H new ATOM 1224 N VAL A 81 3.214 -16.167 -2.709 1.00 0.00 N ATOM 1225 CA VAL A 81 2.473 -17.422 -2.683 1.00 0.00 C ATOM 1226 C VAL A 81 1.278 -17.374 -3.629 1.00 0.00 C ATOM 1227 O VAL A 81 1.313 -17.944 -4.719 1.00 0.00 O ATOM 1228 CB VAL A 81 1.977 -17.752 -1.263 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.871 -18.798 -0.614 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.915 -16.491 -0.414 1.00 0.00 C ATOM 0 H VAL A 81 2.640 -15.342 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 81 3.160 -18.202 -3.010 1.00 0.00 H new ATOM 0 HB VAL A 81 0.970 -18.164 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.505 -19.018 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.859 -19.709 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.891 -18.418 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.562 -16.743 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.909 -16.048 -0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.229 -15.778 -0.871 1.00 0.00 H new ATOM 1240 N ALA A 82 0.221 -16.690 -3.204 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.984 -16.566 -4.014 1.00 0.00 C ATOM 1242 C ALA A 82 -2.043 -15.734 -3.298 1.00 0.00 C ATOM 1243 O ALA A 82 -2.804 -15.003 -3.932 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.535 -17.942 -4.356 1.00 0.00 C ATOM 0 H ALA A 82 0.175 -16.213 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.719 -16.053 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.435 -17.833 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.787 -18.505 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.778 -18.475 -3.437 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.086 -15.850 -1.974 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.053 -15.109 -1.174 1.00 0.00 C ATOM 1252 C GLU A 83 -2.789 -13.608 -1.253 1.00 0.00 C ATOM 1253 O GLU A 83 -3.701 -12.797 -1.090 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.002 -15.570 0.284 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.010 -16.658 0.615 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.114 -16.171 1.534 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.447 -14.969 1.476 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -5.644 -16.993 2.310 1.00 0.00 O ATOM 0 H GLU A 83 -1.463 -16.450 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.046 -15.308 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.999 -15.936 0.505 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.179 -14.713 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.450 -17.033 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.494 -17.495 1.085 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.536 -13.247 -1.505 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.151 -11.844 -1.607 1.00 0.00 C ATOM 1267 C ASP A 84 -1.718 -11.216 -2.876 1.00 0.00 C ATOM 1268 O ASP A 84 -1.987 -10.016 -2.920 1.00 0.00 O ATOM 1269 CB ASP A 84 0.372 -11.709 -1.593 1.00 0.00 C ATOM 1270 CG ASP A 84 0.884 -11.059 -0.322 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.729 -9.828 -0.182 1.00 0.00 O ATOM 1272 OD2 ASP A 84 1.441 -11.781 0.531 1.00 0.00 O ATOM 0 H ASP A 84 -0.770 -13.906 -1.642 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.563 -11.316 -0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.822 -12.696 -1.700 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.689 -11.119 -2.453 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.896 -12.035 -3.907 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.431 -11.560 -5.177 1.00 0.00 C ATOM 1279 C ALA A 85 -3.804 -10.923 -4.990 1.00 0.00 C ATOM 1280 O ALA A 85 -4.600 -11.371 -4.165 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.510 -12.704 -6.178 1.00 0.00 C ATOM 0 H ALA A 85 -1.677 -13.031 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.755 -10.798 -5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.911 -12.335 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.513 -13.113 -6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.162 -13.485 -5.787 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.076 -9.875 -5.762 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.353 -9.194 -5.665 1.00 0.00 C ATOM 1289 C GLY A 86 -5.276 -7.749 -6.118 1.00 0.00 C ATOM 1290 O GLY A 86 -4.331 -7.357 -6.802 1.00 0.00 O ATOM 0 H GLY A 86 -3.434 -9.486 -6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.090 -9.722 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.703 -9.230 -4.633 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.273 -6.957 -5.738 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.314 -5.548 -6.112 1.00 0.00 C ATOM 1296 C GLU A 87 -5.781 -4.669 -4.984 1.00 0.00 C ATOM 1297 O GLU A 87 -6.381 -4.585 -3.912 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.743 -5.133 -6.465 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.854 -3.705 -6.974 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.153 -3.449 -7.713 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -10.164 -3.142 -7.048 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.158 -3.555 -8.958 1.00 0.00 O ATOM 0 H GLU A 87 -7.063 -7.267 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.677 -5.412 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.132 -5.812 -7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.373 -5.245 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.777 -3.016 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.015 -3.493 -7.637 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.651 -4.017 -5.233 1.00 0.00 N ATOM 1310 CA TYR A 88 -4.035 -3.148 -4.238 1.00 0.00 C ATOM 1311 C TYR A 88 -4.547 -1.717 -4.374 1.00 0.00 C ATOM 1312 O TYR A 88 -5.181 -1.363 -5.369 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.512 -3.172 -4.382 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.878 -4.451 -3.887 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -2.030 -5.642 -4.587 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -1.125 -4.470 -2.719 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.452 -6.813 -4.138 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.543 -5.637 -2.263 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.709 -6.806 -2.976 1.00 0.00 C ATOM 1320 OH TYR A 88 -0.131 -7.971 -2.526 1.00 0.00 O ATOM 0 H TYR A 88 -4.143 -4.074 -6.116 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.306 -3.520 -3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.252 -3.030 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.090 -2.331 -3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.610 -5.652 -5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.993 -3.557 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.581 -7.730 -4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.039 -5.634 -1.353 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.757 -8.715 -2.648 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.268 -0.898 -3.366 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.699 0.496 -3.371 1.00 0.00 C ATOM 1332 C LEU A 89 -3.637 1.397 -2.748 1.00 0.00 C ATOM 1333 O LEU A 89 -2.651 0.915 -2.189 1.00 0.00 O ATOM 1334 CB LEU A 89 -6.019 0.645 -2.612 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.213 1.136 -3.432 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.353 0.132 -3.367 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.672 2.501 -2.940 1.00 0.00 C ATOM 0 H LEU A 89 -3.745 -1.175 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.846 0.801 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.275 -0.321 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.863 1.337 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.901 1.233 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.194 0.498 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.018 -0.825 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.665 0.002 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.522 2.835 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.967 2.430 -1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.856 3.217 -3.039 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.846 2.705 -2.847 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.907 3.673 -2.292 1.00 0.00 C ATOM 1351 C CYS A 90 -3.501 5.078 -2.310 1.00 0.00 C ATOM 1352 O CYS A 90 -3.284 5.841 -3.251 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.595 3.650 -3.077 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.255 4.585 -2.302 1.00 0.00 S ATOM 0 H CYS A 90 -4.657 3.119 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.707 3.396 -1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.277 2.615 -3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.774 4.051 -4.075 1.00 0.00 H new ATOM 0 HG CYS A 90 0.813 4.504 -3.039 1.00 0.00 H new ATOM 1360 N MET A 91 -4.252 5.411 -1.266 1.00 0.00 N ATOM 1361 CA MET A 91 -4.877 6.725 -1.163 1.00 0.00 C ATOM 1362 C MET A 91 -3.923 7.733 -0.531 1.00 0.00 C ATOM 1363 O MET A 91 -3.396 7.506 0.559 1.00 0.00 O ATOM 1364 CB MET A 91 -6.164 6.638 -0.339 1.00 0.00 C ATOM 1365 CG MET A 91 -7.069 5.487 -0.747 1.00 0.00 C ATOM 1366 SD MET A 91 -8.751 5.671 -0.123 1.00 0.00 S ATOM 1367 CE MET A 91 -8.898 4.203 0.892 1.00 0.00 C ATOM 0 H MET A 91 -4.443 4.790 -0.480 1.00 0.00 H new ATOM 0 HA MET A 91 -5.120 7.064 -2.170 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.905 6.530 0.714 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.713 7.574 -0.438 1.00 0.00 H new ATOM 0 HG2 MET A 91 -7.095 5.418 -1.835 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.649 4.551 -0.378 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.888 4.174 1.348 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.757 3.317 0.273 1.00 0.00 H new ATOM 0 HE3 MET A 91 -8.139 4.224 1.674 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.704 8.847 -1.222 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.812 9.890 -0.728 1.00 0.00 C ATOM 1379 C CYS A 92 -3.526 11.236 -0.675 1.00 0.00 C ATOM 1380 O CYS A 92 -3.634 11.934 -1.683 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.572 9.992 -1.617 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.425 11.305 -1.137 1.00 0.00 S ATOM 0 H CYS A 92 -4.132 9.051 -2.125 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.505 9.622 0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -1.045 9.038 -1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.889 10.160 -2.646 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.065 12.434 -1.062 1.00 0.00 H new ATOM 1388 N GLY A 93 -4.015 11.595 0.509 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.715 12.856 0.671 1.00 0.00 C ATOM 1390 C GLY A 93 -6.128 12.809 0.125 1.00 0.00 C ATOM 1391 O GLY A 93 -7.094 12.747 0.886 1.00 0.00 O ATOM 0 H GLY A 93 -3.939 11.035 1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.746 13.117 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.159 13.644 0.164 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.251 12.840 -1.197 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.557 12.801 -1.846 1.00 0.00 C ATOM 1397 C LYS A 94 -7.583 11.754 -2.954 1.00 0.00 C ATOM 1398 O LYS A 94 -8.435 10.866 -2.962 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.905 14.176 -2.420 1.00 0.00 C ATOM 1400 CG LYS A 94 -8.905 14.951 -1.580 1.00 0.00 C ATOM 1401 CD LYS A 94 -10.330 14.723 -2.057 1.00 0.00 C ATOM 1402 CE LYS A 94 -11.311 14.706 -0.895 1.00 0.00 C ATOM 1403 NZ LYS A 94 -11.969 16.028 -0.705 1.00 0.00 N ATOM 0 H LYS A 94 -5.462 12.892 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.300 12.529 -1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.991 14.763 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.308 14.049 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.817 14.648 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.671 16.015 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.610 15.508 -2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.387 13.778 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.071 13.945 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.787 14.427 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.630 15.975 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.247 16.751 -0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.491 16.283 -1.568 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.642 11.863 -3.888 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.558 10.924 -5.000 1.00 0.00 C ATOM 1419 C GLU A 95 -6.333 9.502 -4.496 1.00 0.00 C ATOM 1420 O GLU A 95 -5.959 9.293 -3.341 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.428 11.325 -5.951 1.00 0.00 C ATOM 1422 CG GLU A 95 -5.853 12.324 -7.014 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.518 11.661 -8.205 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -7.051 10.544 -8.041 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -6.506 12.261 -9.300 1.00 0.00 O ATOM 0 H GLU A 95 -5.928 12.592 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.505 10.954 -5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.610 11.751 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.041 10.431 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.541 13.046 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.980 12.881 -7.354 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.564 8.527 -5.369 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.388 7.124 -5.012 1.00 0.00 C ATOM 1434 C ARG A 96 -6.131 6.276 -6.254 1.00 0.00 C ATOM 1435 O ARG A 96 -6.860 6.365 -7.243 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.623 6.605 -4.274 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.935 6.982 -4.942 1.00 0.00 C ATOM 1438 CD ARG A 96 -10.130 6.544 -4.109 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.996 7.668 -3.762 1.00 0.00 N ATOM 1440 CZ ARG A 96 -11.947 7.605 -2.836 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -12.152 6.479 -2.167 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -12.694 8.670 -2.577 1.00 0.00 N ATOM 0 H ARG A 96 -6.873 8.683 -6.328 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.522 7.048 -4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.562 5.519 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.618 6.995 -3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.971 8.061 -5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.988 6.520 -5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.705 5.801 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.779 6.062 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.863 8.550 -4.258 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.579 5.658 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.883 6.434 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.539 9.539 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.424 8.620 -1.866 1.00 0.00 H new ATOM 1456 N THR A 97 -5.089 5.452 -6.197 1.00 0.00 N ATOM 1457 CA THR A 97 -4.734 4.589 -7.316 1.00 0.00 C ATOM 1458 C THR A 97 -4.695 3.126 -6.892 1.00 0.00 C ATOM 1459 O THR A 97 -4.166 2.791 -5.832 1.00 0.00 O ATOM 1460 CB THR A 97 -3.367 4.975 -7.913 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.045 4.105 -9.003 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.275 4.899 -6.856 1.00 0.00 C ATOM 0 H THR A 97 -4.476 5.365 -5.387 1.00 0.00 H new ATOM 0 HA THR A 97 -5.505 4.724 -8.075 1.00 0.00 H new ATOM 0 HB THR A 97 -3.430 6.001 -8.275 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.938 4.633 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.319 5.176 -7.300 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.509 5.585 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.214 3.882 -6.468 1.00 0.00 H new ATOM 1470 N SER A 98 -5.259 2.257 -7.725 1.00 0.00 N ATOM 1471 CA SER A 98 -5.291 0.829 -7.434 1.00 0.00 C ATOM 1472 C SER A 98 -4.666 0.028 -8.572 1.00 0.00 C ATOM 1473 O SER A 98 -4.741 0.421 -9.736 1.00 0.00 O ATOM 1474 CB SER A 98 -6.731 0.367 -7.200 1.00 0.00 C ATOM 1475 OG SER A 98 -7.656 1.378 -7.561 1.00 0.00 O ATOM 0 H SER A 98 -5.700 2.517 -8.607 1.00 0.00 H new ATOM 0 HA SER A 98 -4.709 0.655 -6.529 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.926 -0.534 -7.782 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.866 0.104 -6.151 1.00 0.00 H new ATOM 0 HG SER A 98 -8.569 1.058 -7.404 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.050 -1.098 -8.227 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.413 -1.956 -9.218 1.00 0.00 C ATOM 1483 C ALA A 99 -3.839 -3.409 -9.041 1.00 0.00 C ATOM 1484 O ALA A 99 -4.570 -3.742 -8.108 1.00 0.00 O ATOM 1485 CB ALA A 99 -1.900 -1.832 -9.130 1.00 0.00 C ATOM 0 H ALA A 99 -3.979 -1.437 -7.268 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.735 -1.629 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.438 -2.479 -9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.608 -0.798 -9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.568 -2.130 -8.136 1.00 0.00 H new ATOM 1491 N MET A 100 -3.377 -4.270 -9.941 1.00 0.00 N ATOM 1492 CA MET A 100 -3.710 -5.689 -9.883 1.00 0.00 C ATOM 1493 C MET A 100 -2.447 -6.545 -9.903 1.00 0.00 C ATOM 1494 O MET A 100 -1.745 -6.609 -10.913 1.00 0.00 O ATOM 1495 CB MET A 100 -4.618 -6.070 -11.054 1.00 0.00 C ATOM 1496 CG MET A 100 -6.088 -5.776 -10.804 1.00 0.00 C ATOM 1497 SD MET A 100 -7.080 -7.274 -10.649 1.00 0.00 S ATOM 1498 CE MET A 100 -6.310 -8.044 -9.227 1.00 0.00 C ATOM 0 H MET A 100 -2.771 -4.010 -10.719 1.00 0.00 H new ATOM 0 HA MET A 100 -4.239 -5.875 -8.948 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.294 -5.531 -11.944 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.499 -7.133 -11.264 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.186 -5.184 -9.894 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.478 -5.170 -11.622 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.016 -8.729 -8.757 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.427 -8.597 -9.546 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.018 -7.276 -8.511 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.165 -7.201 -8.783 1.00 0.00 N ATOM 1509 CA LEU A 101 -0.986 -8.054 -8.672 1.00 0.00 C ATOM 1510 C LEU A 101 -1.329 -9.502 -9.005 1.00 0.00 C ATOM 1511 O LEU A 101 -2.366 -10.019 -8.587 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.401 -7.967 -7.262 1.00 0.00 C ATOM 1513 CG LEU A 101 0.996 -8.562 -7.077 1.00 0.00 C ATOM 1514 CD1 LEU A 101 2.055 -7.617 -7.623 1.00 0.00 C ATOM 1515 CD2 LEU A 101 1.256 -8.867 -5.609 1.00 0.00 C ATOM 0 H LEU A 101 -2.736 -7.159 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.244 -7.702 -9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.369 -6.918 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.082 -8.470 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 101 1.049 -9.496 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.042 -8.057 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.880 -7.449 -8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.003 -6.666 -7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.254 -9.290 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.183 -7.948 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.517 -9.583 -5.250 1.00 0.00 H new ATOM 1527 N THR A 102 -0.450 -10.155 -9.759 1.00 0.00 N ATOM 1528 CA THR A 102 -0.658 -11.544 -10.147 1.00 0.00 C ATOM 1529 C THR A 102 0.498 -12.424 -9.684 1.00 0.00 C ATOM 1530 O THR A 102 1.664 -12.050 -9.809 1.00 0.00 O ATOM 1531 CB THR A 102 -0.815 -11.684 -11.673 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.758 -10.722 -12.159 1.00 0.00 O ATOM 1533 CG2 THR A 102 -1.274 -13.085 -12.044 1.00 0.00 C ATOM 0 H THR A 102 0.413 -9.743 -10.113 1.00 0.00 H new ATOM 0 HA THR A 102 -1.578 -11.872 -9.663 1.00 0.00 H new ATOM 0 HB THR A 102 0.156 -11.504 -12.134 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.851 -10.816 -13.130 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.378 -13.159 -13.127 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.539 -13.812 -11.699 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.235 -13.290 -11.573 1.00 0.00 H new ATOM 1541 N VAL A 103 0.167 -13.595 -9.149 1.00 0.00 N ATOM 1542 CA VAL A 103 1.178 -14.529 -8.669 1.00 0.00 C ATOM 1543 C VAL A 103 1.040 -15.886 -9.349 1.00 0.00 C ATOM 1544 O VAL A 103 0.084 -16.622 -9.100 1.00 0.00 O ATOM 1545 CB VAL A 103 1.086 -14.720 -7.143 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.171 -15.669 -6.658 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.183 -13.378 -6.432 1.00 0.00 C ATOM 0 H VAL A 103 -0.794 -13.919 -9.037 1.00 0.00 H new ATOM 0 HA VAL A 103 2.149 -14.099 -8.916 1.00 0.00 H new ATOM 0 HB VAL A 103 0.118 -15.162 -6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.091 -15.792 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.051 -16.638 -7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.150 -15.259 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.116 -13.531 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.136 -12.907 -6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.367 -12.734 -6.758 1.00 0.00 H new ATOM 1557 N ARG A 104 1.999 -16.212 -10.209 1.00 0.00 N ATOM 1558 CA ARG A 104 1.984 -17.481 -10.926 1.00 0.00 C ATOM 1559 C ARG A 104 2.398 -18.629 -10.009 1.00 0.00 C ATOM 1560 O ARG A 104 2.583 -18.440 -8.807 1.00 0.00 O ATOM 1561 CB ARG A 104 2.919 -17.419 -12.136 1.00 0.00 C ATOM 1562 CG ARG A 104 2.565 -16.318 -13.122 1.00 0.00 C ATOM 1563 CD ARG A 104 1.975 -16.886 -14.403 1.00 0.00 C ATOM 1564 NE ARG A 104 3.005 -17.426 -15.287 1.00 0.00 N ATOM 1565 CZ ARG A 104 2.748 -17.942 -16.484 1.00 0.00 C ATOM 1566 NH1 ARG A 104 1.503 -17.987 -16.938 1.00 0.00 N ATOM 1567 NH2 ARG A 104 3.739 -18.414 -17.230 1.00 0.00 N ATOM 0 H ARG A 104 2.797 -15.614 -10.426 1.00 0.00 H new ATOM 0 HA ARG A 104 0.966 -17.662 -11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.941 -17.269 -11.788 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.896 -18.379 -12.652 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.851 -15.633 -12.664 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.457 -15.738 -13.357 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.261 -17.672 -14.156 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.422 -16.105 -14.925 1.00 0.00 H new ATOM 0 HE ARG A 104 3.974 -17.406 -14.968 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.739 -17.625 -16.368 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.309 -18.384 -17.857 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.698 -18.381 -16.884 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.542 -18.810 -18.149 1.00 0.00 H new ATOM 1581 N ALA A 105 2.541 -19.818 -10.585 1.00 0.00 N ATOM 1582 CA ALA A 105 2.934 -20.995 -9.821 1.00 0.00 C ATOM 1583 C ALA A 105 4.370 -21.400 -10.136 1.00 0.00 C ATOM 1584 O ALA A 105 4.855 -21.187 -11.247 1.00 0.00 O ATOM 1585 CB ALA A 105 1.984 -22.149 -10.103 1.00 0.00 C ATOM 0 H ALA A 105 2.390 -19.991 -11.579 1.00 0.00 H new ATOM 0 HA ALA A 105 2.879 -20.745 -8.762 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.290 -23.021 -9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.971 -21.864 -9.820 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.010 -22.390 -11.166 1.00 0.00 H new ATOM 1591 N MET A 106 5.045 -21.984 -9.151 1.00 0.00 N ATOM 1592 CA MET A 106 6.426 -22.420 -9.325 1.00 0.00 C ATOM 1593 C MET A 106 6.554 -23.357 -10.522 1.00 0.00 C ATOM 1594 O MET A 106 5.577 -23.943 -10.989 1.00 0.00 O ATOM 1595 CB MET A 106 6.926 -23.118 -8.059 1.00 0.00 C ATOM 1596 CG MET A 106 7.626 -22.184 -7.086 1.00 0.00 C ATOM 1597 SD MET A 106 7.482 -22.729 -5.374 1.00 0.00 S ATOM 1598 CE MET A 106 8.636 -24.099 -5.356 1.00 0.00 C ATOM 0 H MET A 106 4.658 -22.166 -8.225 1.00 0.00 H new ATOM 0 HA MET A 106 7.039 -21.538 -9.510 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.081 -23.587 -7.555 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.612 -23.916 -8.341 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.680 -22.112 -7.353 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.204 -21.184 -7.181 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.659 -24.542 -4.360 1.00 0.00 H new ATOM 0 HE2 MET A 106 8.321 -24.850 -6.080 1.00 0.00 H new ATOM 0 HE3 MET A 106 9.632 -23.740 -5.616 1.00 0.00 H new ATOM 1608 N PRO A 107 7.786 -23.505 -11.030 1.00 0.00 N ATOM 1609 CA PRO A 107 8.071 -24.370 -12.178 1.00 0.00 C ATOM 1610 C PRO A 107 7.928 -25.850 -11.838 1.00 0.00 C ATOM 1611 O PRO A 107 7.540 -26.206 -10.726 1.00 0.00 O ATOM 1612 CB PRO A 107 9.525 -24.038 -12.521 1.00 0.00 C ATOM 1613 CG PRO A 107 10.112 -23.543 -11.245 1.00 0.00 C ATOM 1614 CD PRO A 107 8.997 -22.838 -10.523 1.00 0.00 C ATOM 0 HA PRO A 107 7.376 -24.199 -13.000 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.056 -24.917 -12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.584 -23.282 -13.304 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.503 -24.368 -10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 107 10.944 -22.865 -11.435 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.090 -22.941 -9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 107 8.989 -21.770 -10.742 1.00 0.00 H new