USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 43 TYR OH : rot -98:sc=0.000331 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0664) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 73:sc= 0.0914 USER MOD Single : A 24 MET CE :methyl -174:sc= -0.0199 (180deg=-0.105) USER MOD Single : A 25 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.5!) USER MOD Single : A 26 GLN : amide:sc= -0.0485 K(o=-0.049,f=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 136:sc= -0.258 (180deg=-1.26!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.43! C(o=-5.4!,f=-11!) USER MOD Single : A 50 THR OG1 : rot -87:sc= 0.57 USER MOD Single : A 54 CYS SG : rot 123:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.742 K(o=-0.74,f=-0.14!) USER MOD Single : A 56 MET CE :methyl -159:sc= -0.64 (180deg=-1.75!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.576 (180deg=-0.615) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.51) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 87 ASN : amide:sc= -1.03! X(o=-1!,f=-0.62) USER MOD Single : A 88 TYR OH : rot 180:sc= -2.17 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 76:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 246 N ASP A 19 0.816 1.185 -11.005 1.00 0.00 N ATOM 247 CA ASP A 19 -0.437 1.296 -10.267 1.00 0.00 C ATOM 248 C ASP A 19 -0.189 1.794 -8.847 1.00 0.00 C ATOM 249 O ASP A 19 -0.907 2.660 -8.347 1.00 0.00 O ATOM 250 CB ASP A 19 -1.153 -0.055 -10.230 1.00 0.00 C ATOM 251 CG ASP A 19 -2.661 0.091 -10.172 1.00 0.00 C ATOM 252 OD1 ASP A 19 -3.139 1.050 -9.532 1.00 0.00 O ATOM 253 OD2 ASP A 19 -3.362 -0.755 -10.766 1.00 0.00 O ATOM 0 HA ASP A 19 -1.070 2.020 -10.781 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.880 -0.632 -11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.812 -0.620 -9.363 1.00 0.00 H new ATOM 258 N PHE A 20 0.832 1.240 -8.201 1.00 0.00 N ATOM 259 CA PHE A 20 1.174 1.626 -6.837 1.00 0.00 C ATOM 260 C PHE A 20 1.579 3.095 -6.773 1.00 0.00 C ATOM 261 O PHE A 20 0.942 3.896 -6.090 1.00 0.00 O ATOM 262 CB PHE A 20 2.309 0.748 -6.305 1.00 0.00 C ATOM 263 CG PHE A 20 2.638 1.003 -4.862 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.961 0.334 -3.855 1.00 0.00 C ATOM 265 CD2 PHE A 20 3.624 1.911 -4.512 1.00 0.00 C ATOM 266 CE1 PHE A 20 2.261 0.567 -2.526 1.00 0.00 C ATOM 267 CE2 PHE A 20 3.929 2.148 -3.185 1.00 0.00 C ATOM 268 CZ PHE A 20 3.247 1.474 -2.191 1.00 0.00 C ATOM 0 H PHE A 20 1.437 0.522 -8.600 1.00 0.00 H new ATOM 0 HA PHE A 20 0.291 1.483 -6.214 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.035 -0.300 -6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.201 0.916 -6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.190 -0.378 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.161 2.440 -5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.725 0.040 -1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.699 2.859 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.484 1.656 -1.153 1.00 0.00 H new ATOM 278 N GLU A 21 2.645 3.441 -7.489 1.00 0.00 N ATOM 279 CA GLU A 21 3.136 4.814 -7.512 1.00 0.00 C ATOM 280 C GLU A 21 2.005 5.791 -7.819 1.00 0.00 C ATOM 281 O GLU A 21 1.938 6.879 -7.248 1.00 0.00 O ATOM 282 CB GLU A 21 4.250 4.963 -8.551 1.00 0.00 C ATOM 283 CG GLU A 21 5.639 4.702 -7.995 1.00 0.00 C ATOM 284 CD GLU A 21 6.294 5.956 -7.449 1.00 0.00 C ATOM 285 OE1 GLU A 21 6.033 7.047 -7.996 1.00 0.00 O ATOM 286 OE2 GLU A 21 7.068 5.846 -6.475 1.00 0.00 O ATOM 0 H GLU A 21 3.184 2.790 -8.060 1.00 0.00 H new ATOM 0 HA GLU A 21 3.536 5.047 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.062 4.274 -9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.217 5.971 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.575 3.956 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.267 4.281 -8.780 1.00 0.00 H new ATOM 293 N ASN A 22 1.118 5.395 -8.726 1.00 0.00 N ATOM 294 CA ASN A 22 -0.010 6.236 -9.111 1.00 0.00 C ATOM 295 C ASN A 22 -1.002 6.375 -7.960 1.00 0.00 C ATOM 296 O ASN A 22 -1.475 7.472 -7.664 1.00 0.00 O ATOM 297 CB ASN A 22 -0.713 5.652 -10.338 1.00 0.00 C ATOM 298 CG ASN A 22 0.115 5.791 -11.600 1.00 0.00 C ATOM 299 OD1 ASN A 22 0.381 6.901 -12.062 1.00 0.00 O ATOM 300 ND2 ASN A 22 0.527 4.662 -12.165 1.00 0.00 N ATOM 0 H ASN A 22 1.158 4.497 -9.208 1.00 0.00 H new ATOM 0 HA ASN A 22 0.374 7.226 -9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.928 4.598 -10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.670 6.154 -10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.088 4.693 -13.017 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.283 3.764 -11.747 1.00 0.00 H new ATOM 307 N SER A 23 -1.311 5.256 -7.314 1.00 0.00 N ATOM 308 CA SER A 23 -2.249 5.252 -6.198 1.00 0.00 C ATOM 309 C SER A 23 -1.749 6.143 -5.065 1.00 0.00 C ATOM 310 O SER A 23 -2.382 7.140 -4.719 1.00 0.00 O ATOM 311 CB SER A 23 -2.459 3.825 -5.685 1.00 0.00 C ATOM 312 OG SER A 23 -3.114 3.026 -6.655 1.00 0.00 O ATOM 0 H SER A 23 -0.925 4.340 -7.544 1.00 0.00 H new ATOM 0 HA SER A 23 -3.201 5.646 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.496 3.380 -5.433 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.049 3.848 -4.769 1.00 0.00 H new ATOM 0 HG SER A 23 -2.489 2.813 -7.379 1.00 0.00 H new ATOM 318 N MET A 24 -0.608 5.775 -4.491 1.00 0.00 N ATOM 319 CA MET A 24 -0.022 6.541 -3.397 1.00 0.00 C ATOM 320 C MET A 24 -0.029 8.033 -3.714 1.00 0.00 C ATOM 321 O MET A 24 -0.221 8.864 -2.827 1.00 0.00 O ATOM 322 CB MET A 24 1.409 6.072 -3.128 1.00 0.00 C ATOM 323 CG MET A 24 2.303 6.108 -4.357 1.00 0.00 C ATOM 324 SD MET A 24 4.023 6.468 -3.955 1.00 0.00 S ATOM 325 CE MET A 24 4.397 7.732 -5.168 1.00 0.00 C ATOM 0 H MET A 24 -0.071 4.952 -4.765 1.00 0.00 H new ATOM 0 HA MET A 24 -0.626 6.374 -2.505 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.848 6.699 -2.352 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.382 5.054 -2.739 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.247 5.148 -4.870 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.931 6.862 -5.050 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.457 7.982 -5.118 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.158 7.362 -6.165 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.804 8.623 -4.960 1.00 0.00 H new ATOM 335 N ASN A 25 0.182 8.365 -4.984 1.00 0.00 N ATOM 336 CA ASN A 25 0.200 9.758 -5.416 1.00 0.00 C ATOM 337 C ASN A 25 -1.179 10.392 -5.268 1.00 0.00 C ATOM 338 O ASN A 25 -1.312 11.494 -4.738 1.00 0.00 O ATOM 339 CB ASN A 25 0.665 9.855 -6.871 1.00 0.00 C ATOM 340 CG ASN A 25 1.033 11.272 -7.266 1.00 0.00 C ATOM 341 OD1 ASN A 25 1.485 12.062 -6.438 1.00 0.00 O ATOM 342 ND2 ASN A 25 0.840 11.600 -8.539 1.00 0.00 N ATOM 0 H ASN A 25 0.343 7.689 -5.731 1.00 0.00 H new ATOM 0 HA ASN A 25 0.899 10.301 -4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.527 9.204 -7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.125 9.491 -7.527 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.069 12.539 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.463 10.912 -9.191 1.00 0.00 H new ATOM 349 N GLN A 26 -2.203 9.687 -5.740 1.00 0.00 N ATOM 350 CA GLN A 26 -3.572 10.181 -5.660 1.00 0.00 C ATOM 351 C GLN A 26 -3.915 10.605 -4.236 1.00 0.00 C ATOM 352 O GLN A 26 -4.555 11.635 -4.020 1.00 0.00 O ATOM 353 CB GLN A 26 -4.553 9.108 -6.136 1.00 0.00 C ATOM 354 CG GLN A 26 -4.445 8.801 -7.621 1.00 0.00 C ATOM 355 CD GLN A 26 -5.497 7.815 -8.091 1.00 0.00 C ATOM 356 OE1 GLN A 26 -5.429 6.625 -7.783 1.00 0.00 O ATOM 357 NE2 GLN A 26 -6.477 8.307 -8.840 1.00 0.00 N ATOM 0 H GLN A 26 -2.110 8.772 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.655 11.053 -6.309 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.380 8.192 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.570 9.432 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -4.542 9.727 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.455 8.399 -7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.493 9.300 -9.071 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.214 7.691 -9.185 1.00 0.00 H new ATOM 366 N VAL A 27 -3.486 9.804 -3.265 1.00 0.00 N ATOM 367 CA VAL A 27 -3.748 10.096 -1.861 1.00 0.00 C ATOM 368 C VAL A 27 -3.106 11.415 -1.446 1.00 0.00 C ATOM 369 O VAL A 27 -3.432 11.974 -0.398 1.00 0.00 O ATOM 370 CB VAL A 27 -3.223 8.972 -0.947 1.00 0.00 C ATOM 371 CG1 VAL A 27 -3.356 9.368 0.516 1.00 0.00 C ATOM 372 CG2 VAL A 27 -3.961 7.672 -1.225 1.00 0.00 C ATOM 0 H VAL A 27 -2.955 8.948 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.830 10.170 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.166 8.816 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.980 8.562 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.778 10.274 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.405 9.552 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.578 6.889 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.026 7.811 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.809 7.383 -2.265 1.00 0.00 H new ATOM 382 N LYS A 28 -2.192 11.909 -2.274 1.00 0.00 N ATOM 383 CA LYS A 28 -1.504 13.164 -1.995 1.00 0.00 C ATOM 384 C LYS A 28 -2.242 14.340 -2.627 1.00 0.00 C ATOM 385 O LYS A 28 -2.258 15.443 -2.078 1.00 0.00 O ATOM 386 CB LYS A 28 -0.067 13.109 -2.519 1.00 0.00 C ATOM 387 CG LYS A 28 0.791 12.060 -1.832 1.00 0.00 C ATOM 388 CD LYS A 28 2.264 12.246 -2.156 1.00 0.00 C ATOM 389 CE LYS A 28 2.604 11.702 -3.535 1.00 0.00 C ATOM 390 NZ LYS A 28 3.998 12.038 -3.936 1.00 0.00 N ATOM 0 H LYS A 28 -1.910 11.459 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.485 13.307 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.087 12.906 -3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.396 14.087 -2.389 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.644 12.118 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.471 11.066 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.517 13.305 -2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.870 11.740 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.476 10.620 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.907 12.109 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.190 11.650 -4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.114 13.071 -3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.665 11.628 -3.251 1.00 0.00 H new ATOM 519 N ASN A 36 -7.410 9.584 10.151 1.00 0.00 N ATOM 520 CA ASN A 36 -6.209 8.908 10.630 1.00 0.00 C ATOM 521 C ASN A 36 -6.322 7.398 10.439 1.00 0.00 C ATOM 522 O ASN A 36 -5.316 6.692 10.397 1.00 0.00 O ATOM 523 CB ASN A 36 -5.973 9.230 12.107 1.00 0.00 C ATOM 524 CG ASN A 36 -5.355 10.601 12.308 1.00 0.00 C ATOM 525 OD1 ASN A 36 -6.028 11.623 12.174 1.00 0.00 O ATOM 526 ND2 ASN A 36 -4.067 10.627 12.631 1.00 0.00 N ATOM 0 HA ASN A 36 -5.362 9.268 10.046 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.921 9.179 12.643 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.320 8.473 12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.596 11.520 12.779 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.549 9.754 12.731 1.00 0.00 H new ATOM 533 N GLU A 37 -7.555 6.912 10.324 1.00 0.00 N ATOM 534 CA GLU A 37 -7.798 5.487 10.137 1.00 0.00 C ATOM 535 C GLU A 37 -7.181 4.995 8.831 1.00 0.00 C ATOM 536 O GLU A 37 -6.478 3.985 8.805 1.00 0.00 O ATOM 537 CB GLU A 37 -9.301 5.199 10.144 1.00 0.00 C ATOM 538 CG GLU A 37 -9.645 3.754 9.822 1.00 0.00 C ATOM 539 CD GLU A 37 -9.641 2.866 11.050 1.00 0.00 C ATOM 540 OE1 GLU A 37 -9.918 3.378 12.155 1.00 0.00 O ATOM 541 OE2 GLU A 37 -9.362 1.657 10.906 1.00 0.00 O ATOM 0 H GLU A 37 -8.399 7.484 10.357 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.328 4.953 10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.706 5.450 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.791 5.850 9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.628 3.714 9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.930 3.367 9.096 1.00 0.00 H new ATOM 548 N VAL A 38 -7.450 5.717 7.748 1.00 0.00 N ATOM 549 CA VAL A 38 -6.921 5.356 6.438 1.00 0.00 C ATOM 550 C VAL A 38 -5.464 5.781 6.297 1.00 0.00 C ATOM 551 O VAL A 38 -4.641 5.046 5.752 1.00 0.00 O ATOM 552 CB VAL A 38 -7.744 5.998 5.305 1.00 0.00 C ATOM 553 CG1 VAL A 38 -7.908 7.491 5.543 1.00 0.00 C ATOM 554 CG2 VAL A 38 -7.090 5.734 3.957 1.00 0.00 C ATOM 0 H VAL A 38 -8.031 6.555 7.752 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.989 4.271 6.357 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.735 5.545 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.492 7.927 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.423 7.654 6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.927 7.964 5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.684 6.194 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.086 6.159 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.030 4.659 3.786 1.00 0.00 H new ATOM 564 N LYS A 39 -5.151 6.974 6.793 1.00 0.00 N ATOM 565 CA LYS A 39 -3.792 7.498 6.725 1.00 0.00 C ATOM 566 C LYS A 39 -2.790 6.486 7.271 1.00 0.00 C ATOM 567 O LYS A 39 -1.593 6.571 6.994 1.00 0.00 O ATOM 568 CB LYS A 39 -3.689 8.808 7.509 1.00 0.00 C ATOM 569 CG LYS A 39 -3.970 10.043 6.670 1.00 0.00 C ATOM 570 CD LYS A 39 -5.455 10.362 6.627 1.00 0.00 C ATOM 571 CE LYS A 39 -5.856 11.304 7.751 1.00 0.00 C ATOM 572 NZ LYS A 39 -5.043 12.551 7.747 1.00 0.00 N ATOM 0 H LYS A 39 -5.820 7.596 7.246 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.555 7.688 5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.390 8.779 8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.689 8.889 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.426 10.894 7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.601 9.887 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.703 10.814 5.667 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.029 9.438 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.911 11.558 7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.738 10.797 8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.664 13.371 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.336 12.507 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.560 12.647 6.831 1.00 0.00 H new ATOM 586 N LEU A 40 -3.287 5.530 8.048 1.00 0.00 N ATOM 587 CA LEU A 40 -2.435 4.500 8.632 1.00 0.00 C ATOM 588 C LEU A 40 -2.425 3.244 7.765 1.00 0.00 C ATOM 589 O LEU A 40 -1.376 2.644 7.535 1.00 0.00 O ATOM 590 CB LEU A 40 -2.914 4.155 10.043 1.00 0.00 C ATOM 591 CG LEU A 40 -2.614 5.192 11.126 1.00 0.00 C ATOM 592 CD1 LEU A 40 -3.563 5.025 12.302 1.00 0.00 C ATOM 593 CD2 LEU A 40 -1.168 5.081 11.586 1.00 0.00 C ATOM 0 H LEU A 40 -4.275 5.447 8.288 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.419 4.891 8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.992 3.995 10.010 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.460 3.209 10.338 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.764 6.185 10.702 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.335 5.771 13.063 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.590 5.156 11.962 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.446 4.028 12.726 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.973 5.827 12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.991 4.085 11.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.503 5.252 10.740 1.00 0.00 H new ATOM 605 N LYS A 41 -3.601 2.854 7.285 1.00 0.00 N ATOM 606 CA LYS A 41 -3.729 1.673 6.440 1.00 0.00 C ATOM 607 C LYS A 41 -2.875 1.807 5.184 1.00 0.00 C ATOM 608 O LYS A 41 -2.364 0.817 4.659 1.00 0.00 O ATOM 609 CB LYS A 41 -5.193 1.454 6.053 1.00 0.00 C ATOM 610 CG LYS A 41 -5.589 2.140 4.757 1.00 0.00 C ATOM 611 CD LYS A 41 -7.085 2.043 4.509 1.00 0.00 C ATOM 612 CE LYS A 41 -7.502 0.622 4.162 1.00 0.00 C ATOM 613 NZ LYS A 41 -8.959 0.402 4.380 1.00 0.00 N ATOM 0 H LYS A 41 -4.480 3.339 7.467 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.376 0.812 7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.379 0.384 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.831 1.819 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.293 3.188 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.051 1.686 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.624 2.375 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.364 2.714 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.255 0.415 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.934 -0.082 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.203 -0.578 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.190 0.574 5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.502 1.056 3.781 1.00 0.00 H new ATOM 627 N LEU A 42 -2.722 3.038 4.706 1.00 0.00 N ATOM 628 CA LEU A 42 -1.928 3.302 3.512 1.00 0.00 C ATOM 629 C LEU A 42 -0.439 3.147 3.803 1.00 0.00 C ATOM 630 O LEU A 42 0.340 2.773 2.926 1.00 0.00 O ATOM 631 CB LEU A 42 -2.213 4.710 2.987 1.00 0.00 C ATOM 632 CG LEU A 42 -3.360 4.833 1.983 1.00 0.00 C ATOM 633 CD1 LEU A 42 -3.054 4.039 0.723 1.00 0.00 C ATOM 634 CD2 LEU A 42 -4.667 4.365 2.607 1.00 0.00 C ATOM 0 H LEU A 42 -3.138 3.868 5.128 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.208 2.574 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.430 5.356 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.305 5.093 2.520 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.467 5.883 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.881 4.138 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.141 4.420 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.920 2.988 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.472 4.459 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.573 3.322 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.893 4.978 3.480 1.00 0.00 H new ATOM 646 N TYR A 43 -0.050 3.436 5.040 1.00 0.00 N ATOM 647 CA TYR A 43 1.346 3.329 5.447 1.00 0.00 C ATOM 648 C TYR A 43 1.702 1.888 5.799 1.00 0.00 C ATOM 649 O TYR A 43 2.833 1.449 5.595 1.00 0.00 O ATOM 650 CB TYR A 43 1.621 4.242 6.643 1.00 0.00 C ATOM 651 CG TYR A 43 2.660 3.694 7.596 1.00 0.00 C ATOM 652 CD1 TYR A 43 4.009 3.979 7.421 1.00 0.00 C ATOM 653 CD2 TYR A 43 2.294 2.892 8.669 1.00 0.00 C ATOM 654 CE1 TYR A 43 4.962 3.481 8.289 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.240 2.390 9.542 1.00 0.00 C ATOM 656 CZ TYR A 43 4.573 2.687 9.347 1.00 0.00 C ATOM 657 OH TYR A 43 5.518 2.189 10.214 1.00 0.00 O ATOM 0 H TYR A 43 -0.682 3.746 5.778 1.00 0.00 H new ATOM 0 HA TYR A 43 1.968 3.643 4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.951 5.215 6.279 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.691 4.404 7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.318 4.600 6.593 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.251 2.656 8.824 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.006 3.713 8.139 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.938 1.769 10.372 1.00 0.00 H new ATOM 0 HH TYR A 43 5.745 1.270 9.958 1.00 0.00 H new ATOM 667 N ALA A 44 0.727 1.158 6.330 1.00 0.00 N ATOM 668 CA ALA A 44 0.935 -0.234 6.709 1.00 0.00 C ATOM 669 C ALA A 44 1.389 -1.066 5.514 1.00 0.00 C ATOM 670 O ALA A 44 2.292 -1.896 5.630 1.00 0.00 O ATOM 671 CB ALA A 44 -0.339 -0.815 7.306 1.00 0.00 C ATOM 0 H ALA A 44 -0.215 1.507 6.507 1.00 0.00 H new ATOM 0 HA ALA A 44 1.723 -0.266 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.169 -1.855 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.620 -0.244 8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.142 -0.763 6.571 1.00 0.00 H new ATOM 677 N LEU A 45 0.757 -0.840 4.368 1.00 0.00 N ATOM 678 CA LEU A 45 1.096 -1.570 3.151 1.00 0.00 C ATOM 679 C LEU A 45 2.419 -1.080 2.572 1.00 0.00 C ATOM 680 O LEU A 45 3.280 -1.878 2.201 1.00 0.00 O ATOM 681 CB LEU A 45 -0.017 -1.414 2.113 1.00 0.00 C ATOM 682 CG LEU A 45 -1.254 -2.288 2.319 1.00 0.00 C ATOM 683 CD1 LEU A 45 -0.850 -3.705 2.698 1.00 0.00 C ATOM 684 CD2 LEU A 45 -2.161 -1.687 3.383 1.00 0.00 C ATOM 0 H LEU A 45 0.007 -0.158 4.256 1.00 0.00 H new ATOM 0 HA LEU A 45 1.201 -2.624 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.332 -0.371 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.398 -1.633 1.129 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.807 -2.329 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.744 -4.312 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.242 -4.135 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.274 -3.684 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.036 -2.323 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.618 -1.615 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.479 -0.692 3.070 1.00 0.00 H new ATOM 696 N TYR A 46 2.575 0.237 2.500 1.00 0.00 N ATOM 697 CA TYR A 46 3.794 0.835 1.967 1.00 0.00 C ATOM 698 C TYR A 46 5.032 0.170 2.561 1.00 0.00 C ATOM 699 O TYR A 46 5.859 -0.388 1.839 1.00 0.00 O ATOM 700 CB TYR A 46 3.819 2.336 2.256 1.00 0.00 C ATOM 701 CG TYR A 46 5.173 2.972 2.035 1.00 0.00 C ATOM 702 CD1 TYR A 46 5.741 3.022 0.768 1.00 0.00 C ATOM 703 CD2 TYR A 46 5.886 3.522 3.094 1.00 0.00 C ATOM 704 CE1 TYR A 46 6.978 3.602 0.562 1.00 0.00 C ATOM 705 CE2 TYR A 46 7.123 4.105 2.897 1.00 0.00 C ATOM 706 CZ TYR A 46 7.665 4.142 1.629 1.00 0.00 C ATOM 707 OH TYR A 46 8.897 4.720 1.429 1.00 0.00 O ATOM 0 H TYR A 46 1.873 0.911 2.804 1.00 0.00 H new ATOM 0 HA TYR A 46 3.803 0.680 0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.086 2.832 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.512 2.504 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.206 2.600 -0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.466 3.493 4.088 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.405 3.632 -0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.662 4.529 3.731 1.00 0.00 H new ATOM 0 HH TYR A 46 9.245 5.053 2.283 1.00 0.00 H new ATOM 717 N LYS A 47 5.152 0.232 3.882 1.00 0.00 N ATOM 718 CA LYS A 47 6.287 -0.364 4.577 1.00 0.00 C ATOM 719 C LYS A 47 6.321 -1.875 4.366 1.00 0.00 C ATOM 720 O LYS A 47 7.343 -2.519 4.599 1.00 0.00 O ATOM 721 CB LYS A 47 6.218 -0.049 6.073 1.00 0.00 C ATOM 722 CG LYS A 47 6.371 1.428 6.391 1.00 0.00 C ATOM 723 CD LYS A 47 7.807 1.892 6.212 1.00 0.00 C ATOM 724 CE LYS A 47 8.646 1.599 7.446 1.00 0.00 C ATOM 725 NZ LYS A 47 8.575 2.707 8.440 1.00 0.00 N ATOM 0 H LYS A 47 4.476 0.690 4.494 1.00 0.00 H new ATOM 0 HA LYS A 47 7.200 0.064 4.164 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.264 -0.400 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.000 -0.606 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.716 2.010 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.053 1.615 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.246 1.395 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.822 2.962 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.302 0.674 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.683 1.441 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.250 2.526 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.814 3.606 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.612 2.763 8.829 1.00 0.00 H new ATOM 739 N GLN A 48 5.198 -2.431 3.923 1.00 0.00 N ATOM 740 CA GLN A 48 5.101 -3.866 3.681 1.00 0.00 C ATOM 741 C GLN A 48 5.594 -4.215 2.281 1.00 0.00 C ATOM 742 O GLN A 48 6.210 -5.260 2.072 1.00 0.00 O ATOM 743 CB GLN A 48 3.657 -4.338 3.858 1.00 0.00 C ATOM 744 CG GLN A 48 3.526 -5.843 4.030 1.00 0.00 C ATOM 745 CD GLN A 48 3.668 -6.280 5.475 1.00 0.00 C ATOM 746 OE1 GLN A 48 3.532 -5.474 6.396 1.00 0.00 O ATOM 747 NE2 GLN A 48 3.943 -7.562 5.681 1.00 0.00 N ATOM 0 H GLN A 48 4.344 -1.911 3.725 1.00 0.00 H new ATOM 0 HA GLN A 48 5.734 -4.376 4.408 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.225 -3.842 4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.073 -4.027 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.556 -6.165 3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.285 -6.341 3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.047 -8.195 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.050 -7.914 6.632 1.00 0.00 H new ATOM 756 N ALA A 49 5.319 -3.334 1.325 1.00 0.00 N ATOM 757 CA ALA A 49 5.737 -3.549 -0.055 1.00 0.00 C ATOM 758 C ALA A 49 7.083 -2.888 -0.331 1.00 0.00 C ATOM 759 O ALA A 49 7.488 -2.738 -1.484 1.00 0.00 O ATOM 760 CB ALA A 49 4.680 -3.021 -1.015 1.00 0.00 C ATOM 0 H ALA A 49 4.809 -2.465 1.481 1.00 0.00 H new ATOM 0 HA ALA A 49 5.851 -4.622 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.005 -3.188 -2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.739 -3.543 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.538 -1.953 -0.849 1.00 0.00 H new ATOM 766 N THR A 50 7.772 -2.493 0.734 1.00 0.00 N ATOM 767 CA THR A 50 9.072 -1.846 0.607 1.00 0.00 C ATOM 768 C THR A 50 10.082 -2.443 1.581 1.00 0.00 C ATOM 769 O THR A 50 11.248 -2.634 1.240 1.00 0.00 O ATOM 770 CB THR A 50 8.971 -0.329 0.855 1.00 0.00 C ATOM 771 OG1 THR A 50 8.443 -0.081 2.163 1.00 0.00 O ATOM 772 CG2 THR A 50 8.085 0.332 -0.189 1.00 0.00 C ATOM 0 H THR A 50 7.451 -2.610 1.695 1.00 0.00 H new ATOM 0 HA THR A 50 9.412 -2.018 -0.414 1.00 0.00 H new ATOM 0 HB THR A 50 9.972 0.097 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.464 -0.078 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.029 1.403 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.505 0.166 -1.181 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.085 -0.098 -0.142 1.00 0.00 H new ATOM 780 N GLU A 51 9.624 -2.737 2.794 1.00 0.00 N ATOM 781 CA GLU A 51 10.489 -3.313 3.817 1.00 0.00 C ATOM 782 C GLU A 51 10.083 -4.751 4.127 1.00 0.00 C ATOM 783 O GLU A 51 10.929 -5.601 4.400 1.00 0.00 O ATOM 784 CB GLU A 51 10.437 -2.470 5.094 1.00 0.00 C ATOM 785 CG GLU A 51 10.527 -0.975 4.840 1.00 0.00 C ATOM 786 CD GLU A 51 11.950 -0.507 4.607 1.00 0.00 C ATOM 787 OE1 GLU A 51 12.728 -0.465 5.584 1.00 0.00 O ATOM 788 OE2 GLU A 51 12.287 -0.184 3.449 1.00 0.00 O ATOM 0 H GLU A 51 8.660 -2.586 3.092 1.00 0.00 H new ATOM 0 HA GLU A 51 11.509 -3.317 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.509 -2.685 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.255 -2.768 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.918 -0.721 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.107 -0.440 5.692 1.00 0.00 H new ATOM 795 N GLY A 52 8.781 -5.014 4.082 1.00 0.00 N ATOM 796 CA GLY A 52 8.284 -6.349 4.361 1.00 0.00 C ATOM 797 C GLY A 52 7.475 -6.412 5.641 1.00 0.00 C ATOM 798 O GLY A 52 6.763 -5.473 5.997 1.00 0.00 O ATOM 0 H GLY A 52 8.061 -4.327 3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.666 -6.685 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.125 -7.039 4.432 1.00 0.00 H new ATOM 802 N PRO A 53 7.579 -7.542 6.356 1.00 0.00 N ATOM 803 CA PRO A 53 6.857 -7.751 7.615 1.00 0.00 C ATOM 804 C PRO A 53 7.390 -6.873 8.742 1.00 0.00 C ATOM 805 O PRO A 53 8.599 -6.676 8.869 1.00 0.00 O ATOM 806 CB PRO A 53 7.105 -9.229 7.925 1.00 0.00 C ATOM 807 CG PRO A 53 8.384 -9.551 7.232 1.00 0.00 C ATOM 808 CD PRO A 53 8.409 -8.702 5.992 1.00 0.00 C ATOM 0 HA PRO A 53 5.802 -7.491 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.182 -9.401 8.999 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.289 -9.853 7.560 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.240 -9.333 7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.435 -10.610 6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.424 -8.403 5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.001 -9.234 5.132 1.00 0.00 H new ATOM 816 N CYS A 54 6.482 -6.349 9.557 1.00 0.00 N ATOM 817 CA CYS A 54 6.861 -5.491 10.674 1.00 0.00 C ATOM 818 C CYS A 54 8.019 -6.100 11.458 1.00 0.00 C ATOM 819 O CYS A 54 7.835 -7.050 12.217 1.00 0.00 O ATOM 820 CB CYS A 54 5.665 -5.264 11.600 1.00 0.00 C ATOM 821 SG CYS A 54 6.091 -4.504 13.184 1.00 0.00 S ATOM 0 H CYS A 54 5.478 -6.503 9.466 1.00 0.00 H new ATOM 0 HA CYS A 54 7.184 -4.532 10.270 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.939 -4.631 11.089 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.178 -6.221 11.788 1.00 0.00 H new ATOM 0 HG CYS A 54 5.416 -3.403 13.332 1.00 0.00 H new ATOM 827 N ASN A 55 9.212 -5.546 11.268 1.00 0.00 N ATOM 828 CA ASN A 55 10.400 -6.037 11.957 1.00 0.00 C ATOM 829 C ASN A 55 11.004 -4.950 12.841 1.00 0.00 C ATOM 830 O ASN A 55 12.154 -5.050 13.267 1.00 0.00 O ATOM 831 CB ASN A 55 11.439 -6.520 10.943 1.00 0.00 C ATOM 832 CG ASN A 55 12.139 -5.373 10.240 1.00 0.00 C ATOM 833 OD1 ASN A 55 12.965 -4.678 10.833 1.00 0.00 O ATOM 834 ND2 ASN A 55 11.811 -5.168 8.970 1.00 0.00 N ATOM 0 H ASN A 55 9.382 -4.758 10.643 1.00 0.00 H new ATOM 0 HA ASN A 55 10.103 -6.873 12.590 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.180 -7.137 11.452 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.952 -7.154 10.202 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.249 -4.410 8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.121 -5.768 8.518 1.00 0.00 H new ATOM 841 N MET A 56 10.219 -3.913 13.113 1.00 0.00 N ATOM 842 CA MET A 56 10.676 -2.808 13.949 1.00 0.00 C ATOM 843 C MET A 56 10.289 -3.034 15.407 1.00 0.00 C ATOM 844 O MET A 56 9.328 -3.738 15.718 1.00 0.00 O ATOM 845 CB MET A 56 10.086 -1.487 13.452 1.00 0.00 C ATOM 846 CG MET A 56 8.625 -1.588 13.044 1.00 0.00 C ATOM 847 SD MET A 56 7.901 0.015 12.651 1.00 0.00 S ATOM 848 CE MET A 56 8.534 1.012 13.998 1.00 0.00 C ATOM 0 H MET A 56 9.264 -3.814 12.767 1.00 0.00 H new ATOM 0 HA MET A 56 11.763 -2.760 13.883 1.00 0.00 H new ATOM 0 HB2 MET A 56 10.184 -0.737 14.237 1.00 0.00 H new ATOM 0 HB3 MET A 56 10.669 -1.136 12.600 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.538 -2.244 12.178 1.00 0.00 H new ATOM 0 HG3 MET A 56 8.057 -2.050 13.852 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.909 1.896 14.121 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.523 0.429 14.919 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.556 1.319 13.775 1.00 0.00 H new ATOM 858 N PRO A 57 11.053 -2.423 16.325 1.00 0.00 N ATOM 859 CA PRO A 57 10.810 -2.543 17.765 1.00 0.00 C ATOM 860 C PRO A 57 9.539 -1.820 18.200 1.00 0.00 C ATOM 861 O PRO A 57 9.298 -0.677 17.810 1.00 0.00 O ATOM 862 CB PRO A 57 12.041 -1.882 18.389 1.00 0.00 C ATOM 863 CG PRO A 57 12.528 -0.930 17.351 1.00 0.00 C ATOM 864 CD PRO A 57 12.215 -1.568 16.026 1.00 0.00 C ATOM 0 HA PRO A 57 10.666 -3.580 18.069 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.786 -1.363 19.313 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.803 -2.620 18.638 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.034 0.037 17.445 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.598 -0.752 17.456 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.980 -0.822 15.266 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.057 -2.150 15.652 1.00 0.00 H new ATOM 872 N LYS A 58 8.729 -2.492 19.011 1.00 0.00 N ATOM 873 CA LYS A 58 7.484 -1.914 19.501 1.00 0.00 C ATOM 874 C LYS A 58 7.745 -0.607 20.242 1.00 0.00 C ATOM 875 O LYS A 58 8.506 -0.555 21.209 1.00 0.00 O ATOM 876 CB LYS A 58 6.768 -2.902 20.424 1.00 0.00 C ATOM 877 CG LYS A 58 5.337 -2.507 20.745 1.00 0.00 C ATOM 878 CD LYS A 58 4.472 -3.724 21.029 1.00 0.00 C ATOM 879 CE LYS A 58 3.014 -3.339 21.226 1.00 0.00 C ATOM 880 NZ LYS A 58 2.287 -4.329 22.067 1.00 0.00 N ATOM 0 H LYS A 58 8.913 -3.439 19.343 1.00 0.00 H new ATOM 0 HA LYS A 58 6.848 -1.703 18.642 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.768 -3.887 19.958 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.329 -2.989 21.354 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.327 -1.843 21.609 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.917 -1.948 19.909 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.554 -4.431 20.203 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.839 -4.232 21.921 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.958 -2.356 21.693 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.525 -3.259 20.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.297 -4.030 22.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.318 -5.262 21.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.737 -4.387 23.003 1.00 0.00 H new ATOM 894 N PRO A 59 7.100 0.475 19.781 1.00 0.00 N ATOM 895 CA PRO A 59 7.246 1.801 20.388 1.00 0.00 C ATOM 896 C PRO A 59 6.600 1.882 21.767 1.00 0.00 C ATOM 897 O PRO A 59 5.867 0.981 22.174 1.00 0.00 O ATOM 898 CB PRO A 59 6.521 2.723 19.404 1.00 0.00 C ATOM 899 CG PRO A 59 5.535 1.843 18.716 1.00 0.00 C ATOM 900 CD PRO A 59 6.178 0.486 18.633 1.00 0.00 C ATOM 0 HA PRO A 59 8.292 2.063 20.548 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.025 3.544 19.922 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.217 3.169 18.693 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.598 1.798 19.271 1.00 0.00 H new ATOM 0 HG3 PRO A 59 5.298 2.224 17.723 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.440 -0.313 18.702 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.708 0.349 17.690 1.00 0.00 H new ATOM 908 N GLY A 60 6.876 2.968 22.482 1.00 0.00 N ATOM 909 CA GLY A 60 6.314 3.147 23.808 1.00 0.00 C ATOM 910 C GLY A 60 4.913 3.724 23.771 1.00 0.00 C ATOM 911 O GLY A 60 4.543 4.415 22.821 1.00 0.00 O ATOM 0 H GLY A 60 7.479 3.728 22.166 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.295 2.187 24.324 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.960 3.807 24.387 1.00 0.00 H new ATOM 915 N VAL A 61 4.129 3.439 24.806 1.00 0.00 N ATOM 916 CA VAL A 61 2.760 3.934 24.888 1.00 0.00 C ATOM 917 C VAL A 61 2.714 5.450 24.734 1.00 0.00 C ATOM 918 O VAL A 61 1.801 5.994 24.112 1.00 0.00 O ATOM 919 CB VAL A 61 2.101 3.544 26.224 1.00 0.00 C ATOM 920 CG1 VAL A 61 1.467 2.165 26.125 1.00 0.00 C ATOM 921 CG2 VAL A 61 3.119 3.591 27.354 1.00 0.00 C ATOM 0 H VAL A 61 4.419 2.868 25.600 1.00 0.00 H new ATOM 0 HA VAL A 61 2.207 3.472 24.071 1.00 0.00 H new ATOM 0 HB VAL A 61 1.314 4.265 26.444 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.006 1.907 27.079 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.706 2.169 25.344 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.233 1.429 25.881 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.636 3.313 28.291 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.930 2.894 27.143 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.521 4.600 27.439 1.00 0.00 H new ATOM 931 N PHE A 62 3.705 6.127 25.304 1.00 0.00 N ATOM 932 CA PHE A 62 3.778 7.582 25.231 1.00 0.00 C ATOM 933 C PHE A 62 3.896 8.049 23.783 1.00 0.00 C ATOM 934 O PHE A 62 3.663 9.217 23.475 1.00 0.00 O ATOM 935 CB PHE A 62 4.968 8.096 26.043 1.00 0.00 C ATOM 936 CG PHE A 62 5.167 7.367 27.341 1.00 0.00 C ATOM 937 CD1 PHE A 62 4.079 6.927 28.078 1.00 0.00 C ATOM 938 CD2 PHE A 62 6.442 7.121 27.825 1.00 0.00 C ATOM 939 CE1 PHE A 62 4.260 6.256 29.273 1.00 0.00 C ATOM 940 CE2 PHE A 62 6.629 6.451 29.019 1.00 0.00 C ATOM 941 CZ PHE A 62 5.536 6.017 29.744 1.00 0.00 C ATOM 0 H PHE A 62 4.469 5.692 25.822 1.00 0.00 H new ATOM 0 HA PHE A 62 2.858 7.988 25.651 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.873 8.006 25.443 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.826 9.157 26.249 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.079 7.110 27.715 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.300 7.457 27.262 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.404 5.919 29.838 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.628 6.267 29.385 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.679 5.492 30.677 1.00 0.00 H new ATOM 951 N ASP A 63 4.261 7.127 22.899 1.00 0.00 N ATOM 952 CA ASP A 63 4.411 7.442 21.483 1.00 0.00 C ATOM 953 C ASP A 63 3.207 6.951 20.686 1.00 0.00 C ATOM 954 O ASP A 63 3.276 5.929 20.003 1.00 0.00 O ATOM 955 CB ASP A 63 5.693 6.815 20.932 1.00 0.00 C ATOM 956 CG ASP A 63 6.901 7.712 21.112 1.00 0.00 C ATOM 957 OD1 ASP A 63 7.341 7.891 22.268 1.00 0.00 O ATOM 958 OD2 ASP A 63 7.408 8.236 20.098 1.00 0.00 O ATOM 0 H ASP A 63 4.459 6.155 23.138 1.00 0.00 H new ATOM 0 HA ASP A 63 4.473 8.526 21.382 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.873 5.864 21.433 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.561 6.597 19.872 1.00 0.00 H new ATOM 963 N LEU A 64 2.103 7.685 20.780 1.00 0.00 N ATOM 964 CA LEU A 64 0.882 7.324 20.069 1.00 0.00 C ATOM 965 C LEU A 64 1.104 7.343 18.560 1.00 0.00 C ATOM 966 O LEU A 64 0.547 6.523 17.830 1.00 0.00 O ATOM 967 CB LEU A 64 -0.251 8.282 20.441 1.00 0.00 C ATOM 968 CG LEU A 64 -0.391 8.611 21.928 1.00 0.00 C ATOM 969 CD1 LEU A 64 -1.467 9.664 22.143 1.00 0.00 C ATOM 970 CD2 LEU A 64 -0.706 7.353 22.724 1.00 0.00 C ATOM 0 H LEU A 64 2.029 8.533 21.342 1.00 0.00 H new ATOM 0 HA LEU A 64 0.605 6.312 20.364 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.105 9.214 19.895 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.191 7.853 20.094 1.00 0.00 H new ATOM 0 HG LEU A 64 0.558 9.014 22.283 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.552 9.885 23.207 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.200 10.573 21.604 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.421 9.290 21.773 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.802 7.605 23.780 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.641 6.921 22.367 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.100 6.630 22.596 1.00 0.00 H new ATOM 982 N ILE A 65 1.923 8.283 18.100 1.00 0.00 N ATOM 983 CA ILE A 65 2.222 8.406 16.678 1.00 0.00 C ATOM 984 C ILE A 65 2.842 7.123 16.134 1.00 0.00 C ATOM 985 O ILE A 65 2.326 6.525 15.190 1.00 0.00 O ATOM 986 CB ILE A 65 3.178 9.581 16.404 1.00 0.00 C ATOM 987 CG1 ILE A 65 2.542 10.900 16.849 1.00 0.00 C ATOM 988 CG2 ILE A 65 3.542 9.635 14.928 1.00 0.00 C ATOM 989 CD1 ILE A 65 2.831 11.254 18.291 1.00 0.00 C ATOM 0 H ILE A 65 2.391 8.970 18.691 1.00 0.00 H new ATOM 0 HA ILE A 65 1.275 8.593 16.171 1.00 0.00 H new ATOM 0 HB ILE A 65 4.091 9.427 16.979 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.903 11.703 16.207 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.463 10.840 16.707 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.218 10.471 14.750 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.031 8.705 14.640 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.637 9.768 14.335 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.349 12.200 18.537 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.445 10.470 18.943 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.908 11.347 18.434 1.00 0.00 H new ATOM 1001 N ASN A 66 3.950 6.706 16.736 1.00 0.00 N ATOM 1002 CA ASN A 66 4.640 5.493 16.312 1.00 0.00 C ATOM 1003 C ASN A 66 3.793 4.256 16.601 1.00 0.00 C ATOM 1004 O ASN A 66 3.655 3.373 15.754 1.00 0.00 O ATOM 1005 CB ASN A 66 5.991 5.375 17.021 1.00 0.00 C ATOM 1006 CG ASN A 66 6.974 6.440 16.571 1.00 0.00 C ATOM 1007 OD1 ASN A 66 7.848 6.183 15.744 1.00 0.00 O ATOM 1008 ND2 ASN A 66 6.833 7.642 17.117 1.00 0.00 N ATOM 0 H ASN A 66 4.390 7.190 17.519 1.00 0.00 H new ATOM 0 HA ASN A 66 4.805 5.556 15.236 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.842 5.454 18.098 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.414 4.389 16.829 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.465 8.399 16.854 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.093 7.809 17.799 1.00 0.00 H new ATOM 1015 N LYS A 67 3.228 4.200 17.802 1.00 0.00 N ATOM 1016 CA LYS A 67 2.393 3.075 18.203 1.00 0.00 C ATOM 1017 C LYS A 67 1.224 2.893 17.239 1.00 0.00 C ATOM 1018 O LYS A 67 0.897 1.773 16.849 1.00 0.00 O ATOM 1019 CB LYS A 67 1.867 3.284 19.625 1.00 0.00 C ATOM 1020 CG LYS A 67 1.386 2.006 20.290 1.00 0.00 C ATOM 1021 CD LYS A 67 2.546 1.091 20.644 1.00 0.00 C ATOM 1022 CE LYS A 67 2.194 0.168 21.801 1.00 0.00 C ATOM 1023 NZ LYS A 67 1.089 -0.766 21.449 1.00 0.00 N ATOM 0 H LYS A 67 3.334 4.922 18.515 1.00 0.00 H new ATOM 0 HA LYS A 67 3.006 2.174 18.178 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.656 3.726 20.234 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.046 4.001 19.598 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.827 2.253 21.193 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.700 1.484 19.623 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.821 0.496 19.773 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.417 1.691 20.908 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.075 -0.405 22.090 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.904 0.764 22.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.047 -1.534 22.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.186 -0.250 21.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.261 -1.168 20.505 1.00 0.00 H new ATOM 1037 N ALA A 68 0.600 4.003 16.857 1.00 0.00 N ATOM 1038 CA ALA A 68 -0.529 3.966 15.937 1.00 0.00 C ATOM 1039 C ALA A 68 -0.151 3.272 14.632 1.00 0.00 C ATOM 1040 O ALA A 68 -0.906 2.449 14.113 1.00 0.00 O ATOM 1041 CB ALA A 68 -1.032 5.375 15.661 1.00 0.00 C ATOM 0 H ALA A 68 0.858 4.939 17.171 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.329 3.392 16.405 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.876 5.332 14.972 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.350 5.837 16.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.231 5.967 15.217 1.00 0.00 H new ATOM 1047 N LYS A 69 1.021 3.610 14.106 1.00 0.00 N ATOM 1048 CA LYS A 69 1.500 3.020 12.862 1.00 0.00 C ATOM 1049 C LYS A 69 1.923 1.570 13.074 1.00 0.00 C ATOM 1050 O LYS A 69 1.526 0.681 12.321 1.00 0.00 O ATOM 1051 CB LYS A 69 2.676 3.829 12.309 1.00 0.00 C ATOM 1052 CG LYS A 69 2.257 4.948 11.371 1.00 0.00 C ATOM 1053 CD LYS A 69 3.230 6.114 11.424 1.00 0.00 C ATOM 1054 CE LYS A 69 2.756 7.275 10.563 1.00 0.00 C ATOM 1055 NZ LYS A 69 3.428 8.551 10.934 1.00 0.00 N ATOM 0 H LYS A 69 1.657 4.290 14.522 1.00 0.00 H new ATOM 0 HA LYS A 69 0.682 3.040 12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.237 4.255 13.141 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.352 3.157 11.780 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.200 4.567 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.259 5.294 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.344 6.447 12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.212 5.785 11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.952 7.053 9.514 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.677 7.389 10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.078 9.318 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.220 8.777 11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.456 8.451 10.809 1.00 0.00 H new ATOM 1069 N TRP A 70 2.728 1.339 14.105 1.00 0.00 N ATOM 1070 CA TRP A 70 3.203 -0.004 14.417 1.00 0.00 C ATOM 1071 C TRP A 70 2.066 -1.016 14.337 1.00 0.00 C ATOM 1072 O TRP A 70 2.236 -2.114 13.807 1.00 0.00 O ATOM 1073 CB TRP A 70 3.831 -0.034 15.811 1.00 0.00 C ATOM 1074 CG TRP A 70 4.712 -1.225 16.041 1.00 0.00 C ATOM 1075 CD1 TRP A 70 6.013 -1.369 15.652 1.00 0.00 C ATOM 1076 CD2 TRP A 70 4.355 -2.439 16.710 1.00 0.00 C ATOM 1077 NE1 TRP A 70 6.486 -2.599 16.039 1.00 0.00 N ATOM 1078 CE2 TRP A 70 5.488 -3.274 16.691 1.00 0.00 C ATOM 1079 CE3 TRP A 70 3.188 -2.900 17.326 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 5.487 -4.544 17.263 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 3.188 -4.161 17.892 1.00 0.00 C ATOM 1082 CH2 TRP A 70 4.331 -4.971 17.858 1.00 0.00 C ATOM 0 H TRP A 70 3.065 2.064 14.739 1.00 0.00 H new ATOM 0 HA TRP A 70 3.958 -0.275 13.680 1.00 0.00 H new ATOM 0 HB2 TRP A 70 4.415 0.875 15.958 1.00 0.00 H new ATOM 0 HB3 TRP A 70 3.038 -0.028 16.559 1.00 0.00 H new ATOM 0 HD1 TRP A 70 6.586 -0.625 15.118 1.00 0.00 H new ATOM 0 HE1 TRP A 70 7.427 -2.952 15.869 1.00 0.00 H new ATOM 0 HE3 TRP A 70 2.303 -2.282 17.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 6.367 -5.169 17.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 2.291 -4.528 18.369 1.00 0.00 H new ATOM 0 HH2 TRP A 70 4.299 -5.951 18.310 1.00 0.00 H new ATOM 1093 N ASP A 71 0.906 -0.639 14.865 1.00 0.00 N ATOM 1094 CA ASP A 71 -0.260 -1.514 14.851 1.00 0.00 C ATOM 1095 C ASP A 71 -0.810 -1.665 13.436 1.00 0.00 C ATOM 1096 O ASP A 71 -1.431 -2.675 13.106 1.00 0.00 O ATOM 1097 CB ASP A 71 -1.346 -0.966 15.779 1.00 0.00 C ATOM 1098 CG ASP A 71 -1.139 -1.381 17.222 1.00 0.00 C ATOM 1099 OD1 ASP A 71 -1.001 -2.597 17.476 1.00 0.00 O ATOM 1100 OD2 ASP A 71 -1.114 -0.491 18.097 1.00 0.00 O ATOM 0 H ASP A 71 0.749 0.266 15.308 1.00 0.00 H new ATOM 0 HA ASP A 71 0.049 -2.497 15.207 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.359 0.122 15.715 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.321 -1.317 15.440 1.00 0.00 H new ATOM 1105 N ALA A 72 -0.579 -0.653 12.606 1.00 0.00 N ATOM 1106 CA ALA A 72 -1.050 -0.673 11.227 1.00 0.00 C ATOM 1107 C ALA A 72 -0.161 -1.554 10.356 1.00 0.00 C ATOM 1108 O ALA A 72 -0.654 -2.364 9.570 1.00 0.00 O ATOM 1109 CB ALA A 72 -1.106 0.740 10.668 1.00 0.00 C ATOM 0 H ALA A 72 -0.068 0.191 12.865 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.055 -1.095 11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.459 0.710 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.788 1.342 11.268 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.110 1.183 10.697 1.00 0.00 H new ATOM 1115 N TRP A 73 1.148 -1.391 10.501 1.00 0.00 N ATOM 1116 CA TRP A 73 2.106 -2.172 9.726 1.00 0.00 C ATOM 1117 C TRP A 73 2.260 -3.574 10.304 1.00 0.00 C ATOM 1118 O TRP A 73 2.437 -4.543 9.568 1.00 0.00 O ATOM 1119 CB TRP A 73 3.463 -1.468 9.695 1.00 0.00 C ATOM 1120 CG TRP A 73 4.504 -2.217 8.919 1.00 0.00 C ATOM 1121 CD1 TRP A 73 4.287 -3.171 7.966 1.00 0.00 C ATOM 1122 CD2 TRP A 73 5.924 -2.075 9.031 1.00 0.00 C ATOM 1123 NE1 TRP A 73 5.487 -3.631 7.480 1.00 0.00 N ATOM 1124 CE2 TRP A 73 6.506 -2.974 8.116 1.00 0.00 C ATOM 1125 CE3 TRP A 73 6.761 -1.275 9.814 1.00 0.00 C ATOM 1126 CZ2 TRP A 73 7.885 -3.094 7.965 1.00 0.00 C ATOM 1127 CZ3 TRP A 73 8.129 -1.395 9.663 1.00 0.00 C ATOM 1128 CH2 TRP A 73 8.680 -2.298 8.745 1.00 0.00 C ATOM 0 H TRP A 73 1.571 -0.725 11.148 1.00 0.00 H new ATOM 0 HA TRP A 73 1.726 -2.259 8.708 1.00 0.00 H new ATOM 0 HB2 TRP A 73 3.340 -0.476 9.260 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.814 -1.326 10.717 1.00 0.00 H new ATOM 0 HD1 TRP A 73 3.315 -3.513 7.642 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.600 -4.346 6.762 1.00 0.00 H new ATOM 0 HE3 TRP A 73 6.346 -0.576 10.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.312 -3.790 7.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 8.785 -0.782 10.263 1.00 0.00 H new ATOM 0 HH2 TRP A 73 9.754 -2.368 8.651 1.00 0.00 H new ATOM 1139 N ASN A 74 2.192 -3.674 11.628 1.00 0.00 N ATOM 1140 CA ASN A 74 2.324 -4.959 12.305 1.00 0.00 C ATOM 1141 C ASN A 74 1.248 -5.934 11.838 1.00 0.00 C ATOM 1142 O ASN A 74 1.546 -7.056 11.430 1.00 0.00 O ATOM 1143 CB ASN A 74 2.236 -4.772 13.821 1.00 0.00 C ATOM 1144 CG ASN A 74 2.180 -6.093 14.564 1.00 0.00 C ATOM 1145 OD1 ASN A 74 2.770 -7.085 14.135 1.00 0.00 O ATOM 1146 ND2 ASN A 74 1.469 -6.111 15.685 1.00 0.00 N ATOM 0 H ASN A 74 2.046 -2.881 12.253 1.00 0.00 H new ATOM 0 HA ASN A 74 3.299 -5.375 12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.099 -4.201 14.165 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.349 -4.185 14.061 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.395 -6.971 16.228 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.996 -5.265 16.003 1.00 0.00 H new ATOM 1153 N ALA A 75 -0.006 -5.497 11.900 1.00 0.00 N ATOM 1154 CA ALA A 75 -1.127 -6.329 11.481 1.00 0.00 C ATOM 1155 C ALA A 75 -0.771 -7.148 10.245 1.00 0.00 C ATOM 1156 O ALA A 75 -0.939 -8.368 10.226 1.00 0.00 O ATOM 1157 CB ALA A 75 -2.352 -5.467 11.211 1.00 0.00 C ATOM 0 H ALA A 75 -0.271 -4.571 12.237 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.355 -7.022 12.290 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.182 -6.101 10.899 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.627 -4.931 12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.126 -4.751 10.421 1.00 0.00 H new ATOM 1163 N LEU A 76 -0.279 -6.470 9.214 1.00 0.00 N ATOM 1164 CA LEU A 76 0.100 -7.135 7.972 1.00 0.00 C ATOM 1165 C LEU A 76 0.722 -8.499 8.253 1.00 0.00 C ATOM 1166 O LEU A 76 0.318 -9.507 7.674 1.00 0.00 O ATOM 1167 CB LEU A 76 1.083 -6.266 7.185 1.00 0.00 C ATOM 1168 CG LEU A 76 0.467 -5.140 6.354 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.067 -5.679 5.036 1.00 0.00 C ATOM 1170 CD2 LEU A 76 -0.638 -4.444 7.135 1.00 0.00 C ATOM 0 H LEU A 76 -0.133 -5.460 9.213 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.802 -7.283 7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.791 -5.826 7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.654 -6.912 6.518 1.00 0.00 H new ATOM 0 HG LEU A 76 1.245 -4.409 6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.501 -4.863 4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.748 -6.130 4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.831 -6.431 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.065 -3.646 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.416 -5.165 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.226 -4.022 8.052 1.00 0.00 H new ATOM 1182 N GLY A 77 1.706 -8.523 9.147 1.00 0.00 N ATOM 1183 CA GLY A 77 2.365 -9.769 9.491 1.00 0.00 C ATOM 1184 C GLY A 77 3.355 -10.212 8.432 1.00 0.00 C ATOM 1185 O GLY A 77 4.166 -9.416 7.958 1.00 0.00 O ATOM 0 H GLY A 77 2.058 -7.702 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.884 -9.652 10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.615 -10.547 9.631 1.00 0.00 H new ATOM 1189 N SER A 78 3.291 -11.487 8.060 1.00 0.00 N ATOM 1190 CA SER A 78 4.193 -12.037 7.055 1.00 0.00 C ATOM 1191 C SER A 78 3.649 -11.798 5.649 1.00 0.00 C ATOM 1192 O SER A 78 3.849 -12.613 4.747 1.00 0.00 O ATOM 1193 CB SER A 78 4.398 -13.535 7.287 1.00 0.00 C ATOM 1194 OG SER A 78 5.303 -13.766 8.352 1.00 0.00 O ATOM 0 H SER A 78 2.624 -12.158 8.440 1.00 0.00 H new ATOM 0 HA SER A 78 5.153 -11.529 7.147 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.441 -14.006 7.510 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.777 -13.999 6.376 1.00 0.00 H new ATOM 0 HG SER A 78 5.416 -14.731 8.482 1.00 0.00 H new ATOM 1200 N LEU A 79 2.961 -10.676 5.471 1.00 0.00 N ATOM 1201 CA LEU A 79 2.387 -10.328 4.175 1.00 0.00 C ATOM 1202 C LEU A 79 3.482 -10.027 3.158 1.00 0.00 C ATOM 1203 O LEU A 79 4.336 -9.164 3.366 1.00 0.00 O ATOM 1204 CB LEU A 79 1.458 -9.121 4.315 1.00 0.00 C ATOM 1205 CG LEU A 79 0.494 -8.878 3.153 1.00 0.00 C ATOM 1206 CD1 LEU A 79 1.263 -8.565 1.878 1.00 0.00 C ATOM 1207 CD2 LEU A 79 -0.411 -10.084 2.949 1.00 0.00 C ATOM 0 H LEU A 79 2.787 -9.992 6.207 1.00 0.00 H new ATOM 0 HA LEU A 79 1.811 -11.182 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.873 -9.242 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.071 -8.229 4.445 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.130 -8.018 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.561 -8.395 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.868 -7.671 2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.912 -9.405 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.090 -9.893 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.196 -10.961 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.989 -10.263 3.856 1.00 0.00 H new ATOM 1219 N PRO A 80 3.458 -10.751 2.030 1.00 0.00 N ATOM 1220 CA PRO A 80 4.441 -10.577 0.956 1.00 0.00 C ATOM 1221 C PRO A 80 4.270 -9.251 0.223 1.00 0.00 C ATOM 1222 O PRO A 80 3.150 -8.785 0.014 1.00 0.00 O ATOM 1223 CB PRO A 80 4.149 -11.749 0.015 1.00 0.00 C ATOM 1224 CG PRO A 80 2.719 -12.085 0.261 1.00 0.00 C ATOM 1225 CD PRO A 80 2.470 -11.796 1.715 1.00 0.00 C ATOM 0 HA PRO A 80 5.462 -10.562 1.337 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.317 -11.472 -1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 80 4.798 -12.599 0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.063 -11.488 -0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.519 -13.132 0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.451 -11.450 1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.614 -12.683 2.331 1.00 0.00 H new ATOM 1233 N LYS A 81 5.388 -8.647 -0.165 1.00 0.00 N ATOM 1234 CA LYS A 81 5.363 -7.374 -0.876 1.00 0.00 C ATOM 1235 C LYS A 81 4.375 -7.419 -2.037 1.00 0.00 C ATOM 1236 O LYS A 81 3.558 -6.514 -2.202 1.00 0.00 O ATOM 1237 CB LYS A 81 6.761 -7.029 -1.395 1.00 0.00 C ATOM 1238 CG LYS A 81 7.860 -7.232 -0.366 1.00 0.00 C ATOM 1239 CD LYS A 81 9.009 -6.261 -0.579 1.00 0.00 C ATOM 1240 CE LYS A 81 9.935 -6.221 0.627 1.00 0.00 C ATOM 1241 NZ LYS A 81 11.019 -7.238 0.529 1.00 0.00 N ATOM 0 H LYS A 81 6.323 -9.019 0.001 1.00 0.00 H new ATOM 0 HA LYS A 81 5.041 -6.602 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.976 -7.643 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.771 -5.990 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.451 -7.099 0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.231 -8.255 -0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.574 -6.553 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.613 -5.263 -0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.376 -5.228 0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.357 -6.393 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.628 -7.178 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.600 -8.188 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.587 -7.059 -0.323 1.00 0.00 H new ATOM 1255 N GLU A 82 4.455 -8.478 -2.836 1.00 0.00 N ATOM 1256 CA GLU A 82 3.566 -8.639 -3.981 1.00 0.00 C ATOM 1257 C GLU A 82 2.125 -8.314 -3.600 1.00 0.00 C ATOM 1258 O GLU A 82 1.499 -7.433 -4.190 1.00 0.00 O ATOM 1259 CB GLU A 82 3.652 -10.067 -4.524 1.00 0.00 C ATOM 1260 CG GLU A 82 5.043 -10.457 -4.995 1.00 0.00 C ATOM 1261 CD GLU A 82 5.018 -11.538 -6.057 1.00 0.00 C ATOM 1262 OE1 GLU A 82 4.358 -11.332 -7.097 1.00 0.00 O ATOM 1263 OE2 GLU A 82 5.658 -12.590 -5.849 1.00 0.00 O ATOM 0 H GLU A 82 5.125 -9.237 -2.712 1.00 0.00 H new ATOM 0 HA GLU A 82 3.884 -7.943 -4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.333 -10.762 -3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.953 -10.174 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.549 -9.576 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.627 -10.804 -4.143 1.00 0.00 H new ATOM 1270 N ALA A 83 1.604 -9.033 -2.611 1.00 0.00 N ATOM 1271 CA ALA A 83 0.237 -8.820 -2.150 1.00 0.00 C ATOM 1272 C ALA A 83 0.068 -7.425 -1.558 1.00 0.00 C ATOM 1273 O ALA A 83 -0.923 -6.745 -1.821 1.00 0.00 O ATOM 1274 CB ALA A 83 -0.146 -9.880 -1.128 1.00 0.00 C ATOM 0 H ALA A 83 2.107 -9.768 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.428 -8.903 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.169 -9.709 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.074 -10.868 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.530 -9.824 -0.275 1.00 0.00 H new ATOM 1280 N ALA A 84 1.041 -7.006 -0.755 1.00 0.00 N ATOM 1281 CA ALA A 84 1.000 -5.692 -0.127 1.00 0.00 C ATOM 1282 C ALA A 84 0.821 -4.591 -1.167 1.00 0.00 C ATOM 1283 O ALA A 84 0.095 -3.623 -0.941 1.00 0.00 O ATOM 1284 CB ALA A 84 2.266 -5.455 0.684 1.00 0.00 C ATOM 0 H ALA A 84 1.867 -7.558 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 84 0.141 -5.664 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.222 -4.470 1.148 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.350 -6.217 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.134 -5.508 0.027 1.00 0.00 H new ATOM 1290 N ARG A 85 1.489 -4.746 -2.306 1.00 0.00 N ATOM 1291 CA ARG A 85 1.405 -3.763 -3.380 1.00 0.00 C ATOM 1292 C ARG A 85 -0.017 -3.674 -3.925 1.00 0.00 C ATOM 1293 O ARG A 85 -0.487 -2.595 -4.285 1.00 0.00 O ATOM 1294 CB ARG A 85 2.373 -4.125 -4.507 1.00 0.00 C ATOM 1295 CG ARG A 85 3.769 -3.555 -4.318 1.00 0.00 C ATOM 1296 CD ARG A 85 3.908 -2.191 -4.977 1.00 0.00 C ATOM 1297 NE ARG A 85 4.926 -1.370 -4.326 1.00 0.00 N ATOM 1298 CZ ARG A 85 6.231 -1.578 -4.456 1.00 0.00 C ATOM 1299 NH1 ARG A 85 6.676 -2.575 -5.209 1.00 0.00 N ATOM 1300 NH2 ARG A 85 7.095 -0.787 -3.832 1.00 0.00 N ATOM 0 H ARG A 85 2.094 -5.542 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 85 1.681 -2.791 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.440 -5.210 -4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.968 -3.765 -5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.987 -3.470 -3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.503 -4.241 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.165 -2.321 -6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.949 -1.673 -4.945 1.00 0.00 H new ATOM 0 HE ARG A 85 4.617 -0.595 -3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.015 -3.185 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.679 -2.732 -5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.757 -0.019 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.097 -0.947 -3.932 1.00 0.00 H new ATOM 1314 N GLN A 86 -0.696 -4.816 -3.983 1.00 0.00 N ATOM 1315 CA GLN A 86 -2.064 -4.866 -4.486 1.00 0.00 C ATOM 1316 C GLN A 86 -3.033 -4.238 -3.490 1.00 0.00 C ATOM 1317 O GLN A 86 -3.918 -3.472 -3.870 1.00 0.00 O ATOM 1318 CB GLN A 86 -2.472 -6.312 -4.770 1.00 0.00 C ATOM 1319 CG GLN A 86 -3.952 -6.478 -5.077 1.00 0.00 C ATOM 1320 CD GLN A 86 -4.293 -6.129 -6.512 1.00 0.00 C ATOM 1321 OE1 GLN A 86 -4.502 -7.011 -7.345 1.00 0.00 O ATOM 1322 NE2 GLN A 86 -4.351 -4.836 -6.810 1.00 0.00 N ATOM 0 H GLN A 86 -0.321 -5.718 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.105 -4.295 -5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.891 -6.686 -5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.217 -6.929 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.247 -7.508 -4.878 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.532 -5.845 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.171 -4.138 -6.089 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.576 -4.541 -7.760 1.00 0.00 H new ATOM 1331 N ASN A 87 -2.860 -4.568 -2.215 1.00 0.00 N ATOM 1332 CA ASN A 87 -3.721 -4.036 -1.164 1.00 0.00 C ATOM 1333 C ASN A 87 -3.678 -2.511 -1.145 1.00 0.00 C ATOM 1334 O ASN A 87 -4.715 -1.850 -1.182 1.00 0.00 O ATOM 1335 CB ASN A 87 -3.296 -4.587 0.199 1.00 0.00 C ATOM 1336 CG ASN A 87 -3.564 -6.074 0.331 1.00 0.00 C ATOM 1337 OD1 ASN A 87 -4.693 -6.492 0.587 1.00 0.00 O ATOM 1338 ND2 ASN A 87 -2.523 -6.880 0.157 1.00 0.00 N ATOM 0 H ASN A 87 -2.132 -5.201 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.744 -4.350 -1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.233 -4.397 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.829 -4.053 0.986 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.642 -7.890 0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.605 -6.489 -0.054 1.00 0.00 H new ATOM 1345 N TYR A 88 -2.470 -1.960 -1.088 1.00 0.00 N ATOM 1346 CA TYR A 88 -2.292 -0.513 -1.063 1.00 0.00 C ATOM 1347 C TYR A 88 -3.115 0.157 -2.158 1.00 0.00 C ATOM 1348 O TYR A 88 -3.913 1.055 -1.890 1.00 0.00 O ATOM 1349 CB TYR A 88 -0.813 -0.158 -1.231 1.00 0.00 C ATOM 1350 CG TYR A 88 -0.525 1.319 -1.089 1.00 0.00 C ATOM 1351 CD1 TYR A 88 -0.998 2.233 -2.023 1.00 0.00 C ATOM 1352 CD2 TYR A 88 0.219 1.802 -0.019 1.00 0.00 C ATOM 1353 CE1 TYR A 88 -0.737 3.583 -1.897 1.00 0.00 C ATOM 1354 CE2 TYR A 88 0.484 3.151 0.116 1.00 0.00 C ATOM 1355 CZ TYR A 88 0.004 4.038 -0.826 1.00 0.00 C ATOM 1356 OH TYR A 88 0.265 5.383 -0.696 1.00 0.00 O ATOM 0 H TYR A 88 -1.601 -2.493 -1.058 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.640 -0.146 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.230 -0.706 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.477 -0.492 -2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.580 1.881 -2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.597 1.111 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.111 4.279 -2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.063 3.509 0.954 1.00 0.00 H new ATOM 0 HH TYR A 88 0.798 5.536 0.112 1.00 0.00 H new ATOM 1366 N VAL A 89 -2.916 -0.287 -3.395 1.00 0.00 N ATOM 1367 CA VAL A 89 -3.640 0.267 -4.533 1.00 0.00 C ATOM 1368 C VAL A 89 -5.136 -0.003 -4.416 1.00 0.00 C ATOM 1369 O VAL A 89 -5.958 0.872 -4.688 1.00 0.00 O ATOM 1370 CB VAL A 89 -3.127 -0.316 -5.863 1.00 0.00 C ATOM 1371 CG1 VAL A 89 -1.725 0.194 -6.163 1.00 0.00 C ATOM 1372 CG2 VAL A 89 -3.153 -1.836 -5.823 1.00 0.00 C ATOM 0 H VAL A 89 -2.259 -1.029 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.466 1.343 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.788 0.015 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.378 -0.228 -7.106 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.741 1.281 -6.236 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.050 -0.106 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.787 -2.231 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.516 -2.190 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.175 -2.178 -5.657 1.00 0.00 H new ATOM 1382 N ASP A 90 -5.482 -1.219 -4.009 1.00 0.00 N ATOM 1383 CA ASP A 90 -6.880 -1.605 -3.854 1.00 0.00 C ATOM 1384 C ASP A 90 -7.656 -0.539 -3.086 1.00 0.00 C ATOM 1385 O ASP A 90 -8.839 -0.312 -3.343 1.00 0.00 O ATOM 1386 CB ASP A 90 -6.983 -2.948 -3.131 1.00 0.00 C ATOM 1387 CG ASP A 90 -8.394 -3.504 -3.140 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -9.256 -2.942 -2.433 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -8.635 -4.500 -3.853 1.00 0.00 O ATOM 0 H ASP A 90 -4.814 -1.955 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.317 -1.702 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.310 -3.664 -3.603 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.649 -2.829 -2.100 1.00 0.00 H new ATOM 1394 N LEU A 91 -6.982 0.112 -2.144 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.609 1.154 -1.338 1.00 0.00 C ATOM 1396 C LEU A 91 -7.821 2.423 -2.157 1.00 0.00 C ATOM 1397 O LEU A 91 -8.955 2.805 -2.446 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.749 1.463 -0.111 1.00 0.00 C ATOM 1399 CG LEU A 91 -7.320 2.490 0.868 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -7.174 3.897 0.311 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -8.779 2.183 1.171 1.00 0.00 C ATOM 0 H LEU A 91 -6.002 -0.063 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.582 0.789 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.576 0.533 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.777 1.819 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.756 2.430 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.586 4.614 1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.119 4.115 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.713 3.972 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.169 2.924 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.357 2.215 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.858 1.190 1.614 1.00 0.00 H new ATOM 1413 N VAL A 92 -6.722 3.071 -2.531 1.00 0.00 N ATOM 1414 CA VAL A 92 -6.788 4.295 -3.321 1.00 0.00 C ATOM 1415 C VAL A 92 -7.861 4.196 -4.400 1.00 0.00 C ATOM 1416 O VAL A 92 -8.535 5.178 -4.711 1.00 0.00 O ATOM 1417 CB VAL A 92 -5.434 4.607 -3.985 1.00 0.00 C ATOM 1418 CG1 VAL A 92 -5.525 5.882 -4.810 1.00 0.00 C ATOM 1419 CG2 VAL A 92 -4.339 4.718 -2.936 1.00 0.00 C ATOM 0 H VAL A 92 -5.776 2.769 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.042 5.102 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.180 3.786 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.559 6.086 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.280 5.760 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.802 6.715 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.389 4.939 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.584 5.519 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.258 3.776 -2.393 1.00 0.00 H new ATOM 1429 N SER A 93 -8.014 3.004 -4.967 1.00 0.00 N ATOM 1430 CA SER A 93 -9.003 2.777 -6.014 1.00 0.00 C ATOM 1431 C SER A 93 -10.419 2.887 -5.457 1.00 0.00 C ATOM 1432 O SER A 93 -11.316 3.418 -6.112 1.00 0.00 O ATOM 1433 CB SER A 93 -8.798 1.400 -6.649 1.00 0.00 C ATOM 1434 OG SER A 93 -9.215 1.396 -8.003 1.00 0.00 O ATOM 0 H SER A 93 -7.466 2.180 -4.719 1.00 0.00 H new ATOM 0 HA SER A 93 -8.871 3.544 -6.777 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.746 1.121 -6.588 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.359 0.651 -6.090 1.00 0.00 H new ATOM 0 HG SER A 93 -9.072 0.506 -8.387 1.00 0.00 H new ATOM 1440 N SER A 94 -10.611 2.381 -4.243 1.00 0.00 N ATOM 1441 CA SER A 94 -11.919 2.418 -3.598 1.00 0.00 C ATOM 1442 C SER A 94 -12.375 3.858 -3.378 1.00 0.00 C ATOM 1443 O SER A 94 -13.566 4.162 -3.454 1.00 0.00 O ATOM 1444 CB SER A 94 -11.872 1.677 -2.261 1.00 0.00 C ATOM 1445 OG SER A 94 -11.771 0.277 -2.457 1.00 0.00 O ATOM 0 H SER A 94 -9.878 1.941 -3.686 1.00 0.00 H new ATOM 0 HA SER A 94 -12.635 1.924 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.021 2.028 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.769 1.903 -1.685 1.00 0.00 H new ATOM 0 HG SER A 94 -10.856 0.049 -2.724 1.00 0.00 H new ATOM 1451 N LEU A 95 -11.420 4.739 -3.106 1.00 0.00 N ATOM 1452 CA LEU A 95 -11.722 6.148 -2.875 1.00 0.00 C ATOM 1453 C LEU A 95 -12.196 6.821 -4.159 1.00 0.00 C ATOM 1454 O LEU A 95 -13.243 7.467 -4.183 1.00 0.00 O ATOM 1455 CB LEU A 95 -10.489 6.872 -2.331 1.00 0.00 C ATOM 1456 CG LEU A 95 -9.995 6.417 -0.957 1.00 0.00 C ATOM 1457 CD1 LEU A 95 -8.568 6.887 -0.720 1.00 0.00 C ATOM 1458 CD2 LEU A 95 -10.917 6.931 0.138 1.00 0.00 C ATOM 0 H LEU A 95 -10.430 4.504 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.524 6.206 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.676 6.750 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.711 7.938 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.005 5.327 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.234 6.554 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.915 6.469 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.531 7.975 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -10.550 6.598 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.939 8.020 0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.923 6.544 -0.022 1.00 0.00 H new