USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 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 27 ASN : amide:sc= 0.386 K(o=1.3,f=-2.7) USER MOD Set 1.2: A 29 THR OG1 : rot 58:sc= 0.946 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 18:sc= 1.02 USER MOD Single : A 19 MET CE :methyl 172:sc=-0.00857 (180deg=-0.122) USER MOD Single : A 20 MET CE :methyl 174:sc= -3.43! (180deg=-3.89!) USER MOD Single : A 23 THR OG1 : rot 164:sc= 1.29 USER MOD Single : A 25 SER OG : rot 81:sc= 1.29 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 1.31 (180deg=1.26) USER MOD Single : A 33 THR OG1 : rot -119:sc= 1.19 USER MOD Single : A 37 THR OG1 : rot -91:sc= 1.2 USER MOD Single : A 38 SER OG : rot -81:sc= 1.06 USER MOD Single : A 41 GLN : amide:sc= 0.94 K(o=0.94,f=-1.5!) USER MOD Single : A 43 SER OG : rot -83:sc= 1.3 USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 48 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.083) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.815 K(o=-0.81,f=-6.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -131:sc= 1.26 USER MOD Single : A 70 TYR OH : rot 64:sc= 1.98 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 84:sc= 1.24 USER MOD Single : A 81 GLN : amide:sc= -2.21! K(o=-2.2!,f=-0.86) USER MOD Single : A 84 CYS SG : rot -130:sc= -0.212 USER MOD Single : A 88 THR OG1 : rot -13:sc= 0.0738 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 0.743 13.350 1.507 1.00 0.00 N ATOM 234 CA LYS A 16 1.198 13.369 0.125 1.00 0.00 C ATOM 235 C LYS A 16 0.636 12.155 -0.609 1.00 0.00 C ATOM 236 O LYS A 16 0.680 11.049 -0.084 1.00 0.00 O ATOM 237 CB LYS A 16 2.739 13.380 0.034 1.00 0.00 C ATOM 238 CG LYS A 16 3.253 13.610 -1.385 1.00 0.00 C ATOM 239 CD LYS A 16 2.827 14.985 -1.885 1.00 0.00 C ATOM 240 CE LYS A 16 3.040 15.162 -3.382 1.00 0.00 C ATOM 241 NZ LYS A 16 4.449 15.047 -3.795 1.00 0.00 N ATOM 0 HA LYS A 16 0.836 14.284 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.130 14.160 0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.126 12.431 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.340 13.530 -1.403 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.865 12.838 -2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.774 15.141 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.389 15.751 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.452 14.415 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.661 16.139 -3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.521 15.178 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.013 15.776 -3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.810 14.106 -3.540 1.00 0.00 H new ATOM 255 N THR A 17 0.094 12.359 -1.795 1.00 0.00 N ATOM 256 CA THR A 17 -0.448 11.262 -2.558 1.00 0.00 C ATOM 257 C THR A 17 0.697 10.387 -3.102 1.00 0.00 C ATOM 258 O THR A 17 1.715 10.896 -3.592 1.00 0.00 O ATOM 259 CB THR A 17 -1.415 11.742 -3.704 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.053 10.616 -4.340 1.00 0.00 O ATOM 261 CG2 THR A 17 -0.689 12.570 -4.764 1.00 0.00 C ATOM 0 H THR A 17 0.020 13.271 -2.245 1.00 0.00 H new ATOM 0 HA THR A 17 -1.061 10.658 -1.888 1.00 0.00 H new ATOM 0 HB THR A 17 -2.167 12.374 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.979 9.828 -3.762 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.397 12.878 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.251 13.453 -4.299 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.100 11.970 -5.217 1.00 0.00 H new ATOM 269 N LEU A 18 0.556 9.097 -2.954 1.00 0.00 N ATOM 270 CA LEU A 18 1.569 8.181 -3.367 1.00 0.00 C ATOM 271 C LEU A 18 0.956 7.039 -4.130 1.00 0.00 C ATOM 272 O LEU A 18 -0.059 6.491 -3.716 1.00 0.00 O ATOM 273 CB LEU A 18 2.264 7.572 -2.144 1.00 0.00 C ATOM 274 CG LEU A 18 3.512 6.804 -2.425 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.652 7.721 -2.630 1.00 0.00 C ATOM 276 CD2 LEU A 18 3.794 5.856 -1.344 1.00 0.00 C ATOM 0 H LEU A 18 -0.267 8.657 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 18 2.278 8.730 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.503 8.375 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.559 6.912 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 18 3.363 6.235 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.553 7.142 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.444 8.377 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.802 8.321 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.708 5.307 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.919 6.399 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.964 5.155 -1.249 1.00 0.00 H new ATOM 288 N MET A 19 1.528 6.691 -5.227 1.00 0.00 N ATOM 289 CA MET A 19 1.216 5.429 -5.818 1.00 0.00 C ATOM 290 C MET A 19 2.107 4.440 -5.092 1.00 0.00 C ATOM 291 O MET A 19 3.292 4.380 -5.354 1.00 0.00 O ATOM 292 CB MET A 19 1.572 5.423 -7.323 1.00 0.00 C ATOM 293 CG MET A 19 0.800 6.420 -8.168 1.00 0.00 C ATOM 294 SD MET A 19 1.437 6.581 -9.859 1.00 0.00 S ATOM 295 CE MET A 19 1.190 4.927 -10.508 1.00 0.00 C ATOM 0 H MET A 19 2.211 7.254 -5.735 1.00 0.00 H new ATOM 0 HA MET A 19 0.154 5.196 -5.736 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.637 5.627 -7.430 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.398 4.422 -7.718 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.246 6.116 -8.210 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.829 7.396 -7.683 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.404 4.920 -11.577 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.859 4.233 -9.999 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.157 4.622 -10.343 1.00 0.00 H new ATOM 305 N MET A 20 1.575 3.718 -4.128 1.00 0.00 N ATOM 306 CA MET A 20 2.416 2.799 -3.408 1.00 0.00 C ATOM 307 C MET A 20 2.470 1.508 -4.120 1.00 0.00 C ATOM 308 O MET A 20 1.451 0.830 -4.323 1.00 0.00 O ATOM 309 CB MET A 20 2.022 2.572 -1.947 1.00 0.00 C ATOM 310 CG MET A 20 2.937 1.535 -1.274 1.00 0.00 C ATOM 311 SD MET A 20 2.576 1.228 0.448 1.00 0.00 S ATOM 312 CE MET A 20 0.899 0.674 0.344 1.00 0.00 C ATOM 0 H MET A 20 0.598 3.749 -3.835 1.00 0.00 H new ATOM 0 HA MET A 20 3.399 3.269 -3.374 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.077 3.515 -1.403 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.987 2.234 -1.896 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.861 0.595 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.970 1.872 -1.360 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.564 0.341 1.327 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.266 1.493 0.003 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.833 -0.154 -0.361 1.00 0.00 H new ATOM 322 N PHE A 21 3.659 1.184 -4.475 1.00 0.00 N ATOM 323 CA PHE A 21 3.970 0.038 -5.273 1.00 0.00 C ATOM 324 C PHE A 21 4.402 -1.062 -4.317 1.00 0.00 C ATOM 325 O PHE A 21 5.269 -0.846 -3.476 1.00 0.00 O ATOM 326 CB PHE A 21 5.066 0.535 -6.217 1.00 0.00 C ATOM 327 CG PHE A 21 5.687 -0.366 -7.230 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.746 -1.176 -6.895 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.276 -0.312 -8.559 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.383 -1.921 -7.853 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.906 -1.068 -9.514 1.00 0.00 C ATOM 332 CZ PHE A 21 6.966 -1.869 -9.162 1.00 0.00 C ATOM 0 H PHE A 21 4.481 1.727 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 21 3.156 -0.380 -5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.655 1.387 -6.759 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.874 0.915 -5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.079 -1.226 -5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.455 0.330 -8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.216 -2.551 -7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.570 -1.034 -10.540 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.471 -2.457 -9.914 1.00 0.00 H new ATOM 342 N VAL A 22 3.765 -2.200 -4.373 1.00 0.00 N ATOM 343 CA VAL A 22 4.044 -3.235 -3.396 1.00 0.00 C ATOM 344 C VAL A 22 4.346 -4.639 -3.963 1.00 0.00 C ATOM 345 O VAL A 22 3.601 -5.173 -4.787 1.00 0.00 O ATOM 346 CB VAL A 22 2.967 -3.271 -2.219 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.501 -3.116 -2.701 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.090 -4.549 -1.428 1.00 0.00 C ATOM 0 H VAL A 22 3.059 -2.439 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 22 4.997 -2.925 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 22 3.192 -2.407 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.830 -3.151 -1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.386 -2.161 -3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.256 -3.927 -3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.348 -4.556 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.923 -5.402 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.088 -4.615 -0.996 1.00 0.00 H new ATOM 358 N THR A 23 5.498 -5.162 -3.538 1.00 0.00 N ATOM 359 CA THR A 23 5.920 -6.514 -3.742 1.00 0.00 C ATOM 360 C THR A 23 5.172 -7.497 -2.745 1.00 0.00 C ATOM 361 O THR A 23 5.265 -7.289 -1.492 1.00 0.00 O ATOM 362 CB THR A 23 7.429 -6.583 -3.413 1.00 0.00 C ATOM 363 OG1 THR A 23 8.154 -5.743 -4.313 1.00 0.00 O ATOM 364 CG2 THR A 23 7.961 -8.016 -3.455 1.00 0.00 C ATOM 0 H THR A 23 6.182 -4.612 -3.019 1.00 0.00 H new ATOM 0 HA THR A 23 5.701 -6.807 -4.769 1.00 0.00 H new ATOM 0 HB THR A 23 7.571 -6.226 -2.393 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.054 -5.585 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.025 -8.016 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.426 -8.624 -2.725 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.812 -8.430 -4.452 1.00 0.00 H new ATOM 372 N VAL A 24 4.407 -8.514 -3.262 1.00 0.00 N ATOM 373 CA VAL A 24 3.857 -9.551 -2.457 1.00 0.00 C ATOM 374 C VAL A 24 4.601 -10.841 -2.963 1.00 0.00 C ATOM 375 O VAL A 24 4.583 -11.087 -4.145 1.00 0.00 O ATOM 376 CB VAL A 24 2.293 -9.619 -2.653 1.00 0.00 C ATOM 377 CG1 VAL A 24 1.884 -9.923 -4.087 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.660 -10.595 -1.696 1.00 0.00 C ATOM 0 H VAL A 24 4.181 -8.597 -4.253 1.00 0.00 H new ATOM 0 HA VAL A 24 3.997 -9.408 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 24 1.918 -8.621 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.797 -9.956 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.266 -9.144 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.296 -10.887 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.582 -10.617 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.073 -11.590 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.866 -10.286 -0.671 1.00 0.00 H new ATOM 388 N SER A 25 5.275 -11.655 -2.133 1.00 0.00 N ATOM 389 CA SER A 25 6.191 -12.574 -2.764 1.00 0.00 C ATOM 390 C SER A 25 6.084 -14.002 -2.234 1.00 0.00 C ATOM 391 O SER A 25 6.952 -14.841 -2.520 1.00 0.00 O ATOM 392 CB SER A 25 7.612 -12.028 -2.592 1.00 0.00 C ATOM 393 OG SER A 25 8.458 -12.380 -3.672 1.00 0.00 O ATOM 0 H SER A 25 5.206 -11.689 -1.116 1.00 0.00 H new ATOM 0 HA SER A 25 5.929 -12.642 -3.820 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.573 -10.942 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.035 -12.409 -1.663 1.00 0.00 H new ATOM 0 HG SER A 25 8.302 -11.769 -4.422 1.00 0.00 H new ATOM 399 N GLY A 26 5.033 -14.301 -1.488 1.00 0.00 N ATOM 400 CA GLY A 26 4.858 -15.667 -1.025 1.00 0.00 C ATOM 401 C GLY A 26 4.599 -16.580 -2.202 1.00 0.00 C ATOM 402 O GLY A 26 5.093 -17.702 -2.256 1.00 0.00 O ATOM 0 H GLY A 26 4.311 -13.642 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.748 -15.995 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.025 -15.719 -0.323 1.00 0.00 H new ATOM 406 N ASN A 27 3.847 -16.072 -3.153 1.00 0.00 N ATOM 407 CA ASN A 27 3.570 -16.758 -4.368 1.00 0.00 C ATOM 408 C ASN A 27 4.163 -15.917 -5.465 1.00 0.00 C ATOM 409 O ASN A 27 3.649 -14.842 -5.746 1.00 0.00 O ATOM 410 CB ASN A 27 2.056 -16.945 -4.544 1.00 0.00 C ATOM 411 CG ASN A 27 1.644 -17.547 -5.876 1.00 0.00 C ATOM 412 OD1 ASN A 27 1.392 -16.830 -6.843 1.00 0.00 O ATOM 413 ND2 ASN A 27 1.542 -18.845 -5.942 1.00 0.00 N ATOM 0 H ASN A 27 3.409 -15.153 -3.090 1.00 0.00 H new ATOM 0 HA ASN A 27 4.002 -17.759 -4.379 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.686 -17.584 -3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.568 -15.977 -4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.247 -19.290 -6.811 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.757 -19.416 -5.124 1.00 0.00 H new ATOM 420 N PRO A 28 5.279 -16.348 -6.063 1.00 0.00 N ATOM 421 CA PRO A 28 5.998 -15.580 -7.112 1.00 0.00 C ATOM 422 C PRO A 28 5.266 -15.568 -8.465 1.00 0.00 C ATOM 423 O PRO A 28 5.887 -15.442 -9.517 1.00 0.00 O ATOM 424 CB PRO A 28 7.315 -16.357 -7.246 1.00 0.00 C ATOM 425 CG PRO A 28 6.971 -17.748 -6.858 1.00 0.00 C ATOM 426 CD PRO A 28 5.958 -17.627 -5.764 1.00 0.00 C ATOM 0 HA PRO A 28 6.103 -14.529 -6.842 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.699 -16.313 -8.265 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.087 -15.944 -6.597 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.567 -18.302 -7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.854 -18.288 -6.516 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.259 -18.463 -5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.429 -17.611 -4.781 1.00 0.00 H new ATOM 434 N THR A 29 3.970 -15.638 -8.430 1.00 0.00 N ATOM 435 CA THR A 29 3.169 -15.714 -9.607 1.00 0.00 C ATOM 436 C THR A 29 1.871 -14.913 -9.400 1.00 0.00 C ATOM 437 O THR A 29 1.742 -14.215 -8.383 1.00 0.00 O ATOM 438 CB THR A 29 2.919 -17.189 -10.013 1.00 0.00 C ATOM 439 OG1 THR A 29 2.794 -18.006 -8.836 1.00 0.00 O ATOM 440 CG2 THR A 29 4.045 -17.721 -10.887 1.00 0.00 C ATOM 0 H THR A 29 3.432 -15.644 -7.564 1.00 0.00 H new ATOM 0 HA THR A 29 3.700 -15.261 -10.444 1.00 0.00 H new ATOM 0 HB THR A 29 1.994 -17.227 -10.588 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.061 -17.669 -8.280 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.839 -18.758 -11.154 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.117 -17.120 -11.793 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.986 -17.667 -10.340 1.00 0.00 H new ATOM 448 N GLU A 30 0.914 -15.004 -10.309 1.00 0.00 N ATOM 449 CA GLU A 30 -0.229 -14.124 -10.247 1.00 0.00 C ATOM 450 C GLU A 30 -1.301 -14.618 -9.259 1.00 0.00 C ATOM 451 O GLU A 30 -2.230 -13.901 -8.980 1.00 0.00 O ATOM 452 CB GLU A 30 -0.803 -13.884 -11.658 1.00 0.00 C ATOM 453 CG GLU A 30 -1.814 -12.744 -11.751 1.00 0.00 C ATOM 454 CD GLU A 30 -2.301 -12.514 -13.152 1.00 0.00 C ATOM 455 OE1 GLU A 30 -1.667 -11.741 -13.896 1.00 0.00 O ATOM 456 OE2 GLU A 30 -3.330 -13.100 -13.538 1.00 0.00 O ATOM 0 H GLU A 30 0.909 -15.668 -11.084 1.00 0.00 H new ATOM 0 HA GLU A 30 0.114 -13.166 -9.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.021 -13.677 -12.340 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.279 -14.802 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.665 -12.965 -11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.358 -11.828 -11.374 1.00 0.00 H new ATOM 463 N LYS A 31 -1.141 -15.821 -8.703 1.00 0.00 N ATOM 464 CA LYS A 31 -2.119 -16.355 -7.743 1.00 0.00 C ATOM 465 C LYS A 31 -2.211 -15.454 -6.527 1.00 0.00 C ATOM 466 O LYS A 31 -3.321 -15.137 -6.054 1.00 0.00 O ATOM 467 CB LYS A 31 -1.774 -17.810 -7.308 1.00 0.00 C ATOM 468 CG LYS A 31 -2.859 -18.539 -6.455 1.00 0.00 C ATOM 469 CD LYS A 31 -2.472 -18.748 -4.958 1.00 0.00 C ATOM 470 CE LYS A 31 -2.460 -17.451 -4.148 1.00 0.00 C ATOM 471 NZ LYS A 31 -2.035 -17.634 -2.749 1.00 0.00 N ATOM 0 H LYS A 31 -0.354 -16.440 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.086 -16.382 -8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.585 -18.402 -8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.845 -17.788 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.785 -17.966 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.063 -19.511 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.175 -19.446 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.486 -19.209 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.793 -16.737 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.459 -17.015 -4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.968 -16.707 -2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.731 -18.224 -2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.106 -18.101 -2.727 1.00 0.00 H new ATOM 485 N GLU A 32 -1.068 -15.044 -6.006 1.00 0.00 N ATOM 486 CA GLU A 32 -1.079 -14.234 -4.798 1.00 0.00 C ATOM 487 C GLU A 32 -1.693 -12.900 -5.168 1.00 0.00 C ATOM 488 O GLU A 32 -2.628 -12.452 -4.539 1.00 0.00 O ATOM 489 CB GLU A 32 0.344 -14.089 -4.187 1.00 0.00 C ATOM 490 CG GLU A 32 0.422 -13.756 -2.679 1.00 0.00 C ATOM 491 CD GLU A 32 -0.051 -14.894 -1.786 1.00 0.00 C ATOM 492 OE1 GLU A 32 -1.257 -15.223 -1.788 1.00 0.00 O ATOM 493 OE2 GLU A 32 0.774 -15.477 -1.063 1.00 0.00 O ATOM 0 H GLU A 32 -0.144 -15.250 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.671 -14.712 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.884 -15.020 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.872 -13.309 -4.735 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.451 -13.506 -2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.181 -12.871 -2.478 1.00 0.00 H new ATOM 500 N THR A 33 -1.180 -12.341 -6.239 1.00 0.00 N ATOM 501 CA THR A 33 -1.692 -11.155 -6.878 1.00 0.00 C ATOM 502 C THR A 33 -3.226 -11.179 -7.018 1.00 0.00 C ATOM 503 O THR A 33 -3.879 -10.267 -6.603 1.00 0.00 O ATOM 504 CB THR A 33 -1.088 -11.050 -8.281 1.00 0.00 C ATOM 505 OG1 THR A 33 0.336 -11.014 -8.162 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.582 -9.797 -8.993 1.00 0.00 C ATOM 0 H THR A 33 -0.357 -12.719 -6.708 1.00 0.00 H new ATOM 0 HA THR A 33 -1.420 -10.303 -6.254 1.00 0.00 H new ATOM 0 HB THR A 33 -1.396 -11.913 -8.871 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.674 -10.172 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.139 -9.745 -9.987 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.668 -9.833 -9.081 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.293 -8.915 -8.421 1.00 0.00 H new ATOM 514 N GLU A 34 -3.777 -12.238 -7.579 1.00 0.00 N ATOM 515 CA GLU A 34 -5.206 -12.319 -7.849 1.00 0.00 C ATOM 516 C GLU A 34 -6.061 -12.391 -6.583 1.00 0.00 C ATOM 517 O GLU A 34 -6.995 -11.574 -6.408 1.00 0.00 O ATOM 518 CB GLU A 34 -5.529 -13.456 -8.823 1.00 0.00 C ATOM 519 CG GLU A 34 -5.138 -14.845 -8.352 1.00 0.00 C ATOM 520 CD GLU A 34 -5.428 -15.908 -9.385 1.00 0.00 C ATOM 521 OE1 GLU A 34 -4.906 -15.827 -10.514 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.212 -16.825 -9.103 1.00 0.00 O ATOM 0 H GLU A 34 -3.252 -13.066 -7.861 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.476 -11.380 -8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.600 -13.447 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.026 -13.256 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.075 -14.858 -8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.676 -15.079 -7.433 1.00 0.00 H new ATOM 529 N GLU A 35 -5.721 -13.320 -5.695 1.00 0.00 N ATOM 530 CA GLU A 35 -6.468 -13.536 -4.445 1.00 0.00 C ATOM 531 C GLU A 35 -6.446 -12.225 -3.644 1.00 0.00 C ATOM 532 O GLU A 35 -7.477 -11.700 -3.172 1.00 0.00 O ATOM 533 CB GLU A 35 -5.751 -14.657 -3.630 1.00 0.00 C ATOM 534 CG GLU A 35 -6.519 -15.144 -2.432 1.00 0.00 C ATOM 535 CD GLU A 35 -7.853 -15.746 -2.817 1.00 0.00 C ATOM 536 OE1 GLU A 35 -7.890 -16.918 -3.242 1.00 0.00 O ATOM 537 OE2 GLU A 35 -8.887 -15.054 -2.731 1.00 0.00 O ATOM 0 H GLU A 35 -4.924 -13.946 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.497 -13.831 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.558 -15.502 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.782 -14.284 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.926 -15.888 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.681 -14.314 -1.744 1.00 0.00 H new ATOM 544 N ILE A 36 -5.285 -11.696 -3.568 1.00 0.00 N ATOM 545 CA ILE A 36 -5.010 -10.500 -2.879 1.00 0.00 C ATOM 546 C ILE A 36 -5.608 -9.263 -3.570 1.00 0.00 C ATOM 547 O ILE A 36 -6.154 -8.448 -2.908 1.00 0.00 O ATOM 548 CB ILE A 36 -3.503 -10.404 -2.692 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.032 -11.168 -1.440 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.948 -9.016 -2.773 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.571 -11.423 -1.477 1.00 0.00 C ATOM 0 H ILE A 36 -4.461 -12.107 -4.007 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.496 -10.521 -1.903 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.075 -10.906 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.280 -10.594 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.566 -12.115 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.868 -9.047 -2.628 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.171 -8.592 -3.752 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.401 -8.397 -1.998 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.273 -11.964 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.328 -12.019 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.037 -10.474 -1.523 1.00 0.00 H new ATOM 563 N THR A 37 -5.570 -9.144 -4.895 1.00 0.00 N ATOM 564 CA THR A 37 -6.088 -7.922 -5.500 1.00 0.00 C ATOM 565 C THR A 37 -7.579 -7.844 -5.364 1.00 0.00 C ATOM 566 O THR A 37 -8.132 -6.757 -5.099 1.00 0.00 O ATOM 567 CB THR A 37 -5.670 -7.697 -6.975 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.828 -8.907 -7.727 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.235 -7.168 -7.090 1.00 0.00 C ATOM 0 H THR A 37 -5.205 -9.842 -5.543 1.00 0.00 H new ATOM 0 HA THR A 37 -5.622 -7.114 -4.937 1.00 0.00 H new ATOM 0 HB THR A 37 -6.328 -6.934 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.990 -9.415 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.983 -7.025 -8.141 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.155 -6.216 -6.564 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.546 -7.887 -6.647 1.00 0.00 H new ATOM 577 N SER A 38 -8.230 -8.991 -5.496 1.00 0.00 N ATOM 578 CA SER A 38 -9.649 -9.056 -5.355 1.00 0.00 C ATOM 579 C SER A 38 -10.039 -8.701 -3.926 1.00 0.00 C ATOM 580 O SER A 38 -10.741 -7.687 -3.694 1.00 0.00 O ATOM 581 CB SER A 38 -10.171 -10.444 -5.781 1.00 0.00 C ATOM 582 OG SER A 38 -9.472 -11.490 -5.123 1.00 0.00 O ATOM 0 H SER A 38 -7.782 -9.884 -5.701 1.00 0.00 H new ATOM 0 HA SER A 38 -10.118 -8.327 -6.016 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.235 -10.518 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.065 -10.558 -6.860 1.00 0.00 H new ATOM 0 HG SER A 38 -8.620 -11.652 -5.580 1.00 0.00 H new ATOM 588 N LEU A 39 -9.505 -9.457 -2.960 1.00 0.00 N ATOM 589 CA LEU A 39 -9.841 -9.230 -1.575 1.00 0.00 C ATOM 590 C LEU A 39 -9.332 -7.874 -1.069 1.00 0.00 C ATOM 591 O LEU A 39 -10.085 -7.139 -0.418 1.00 0.00 O ATOM 592 CB LEU A 39 -9.395 -10.398 -0.668 1.00 0.00 C ATOM 593 CG LEU A 39 -9.733 -10.261 0.819 1.00 0.00 C ATOM 594 CD1 LEU A 39 -11.239 -10.149 1.026 1.00 0.00 C ATOM 595 CD2 LEU A 39 -9.184 -11.438 1.591 1.00 0.00 C ATOM 0 H LEU A 39 -8.847 -10.220 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.929 -9.192 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.851 -11.315 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.316 -10.516 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.269 -9.348 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.454 -10.053 2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.614 -9.272 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.727 -11.042 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.431 -11.328 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.623 -12.360 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.101 -11.476 1.474 1.00 0.00 H new ATOM 607 N TRP A 40 -8.099 -7.501 -1.412 1.00 0.00 N ATOM 608 CA TRP A 40 -7.553 -6.249 -0.945 1.00 0.00 C ATOM 609 C TRP A 40 -8.242 -5.093 -1.592 1.00 0.00 C ATOM 610 O TRP A 40 -9.013 -4.455 -0.936 1.00 0.00 O ATOM 611 CB TRP A 40 -6.025 -6.098 -1.099 1.00 0.00 C ATOM 612 CG TRP A 40 -5.180 -7.053 -0.292 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.598 -8.040 0.565 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.748 -7.100 -0.288 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.514 -8.706 1.082 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.363 -8.146 0.577 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.742 -6.357 -0.949 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -2.013 -8.471 0.803 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.405 -6.684 -0.722 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.051 -7.733 0.147 1.00 0.00 C ATOM 0 H TRP A 40 -7.474 -8.048 -2.005 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.742 -6.255 0.129 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.772 -6.222 -2.152 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.751 -5.080 -0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.629 -8.261 0.799 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.555 -9.489 1.735 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.004 -5.551 -1.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.739 -9.275 1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.629 -6.123 -1.221 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.007 -7.964 0.303 1.00 0.00 H new ATOM 631 N GLN A 41 -8.060 -4.853 -2.915 1.00 0.00 N ATOM 632 CA GLN A 41 -8.604 -3.616 -3.456 1.00 0.00 C ATOM 633 C GLN A 41 -10.141 -3.607 -3.484 1.00 0.00 C ATOM 634 O GLN A 41 -10.764 -2.529 -3.469 1.00 0.00 O ATOM 635 CB GLN A 41 -7.854 -3.033 -4.735 1.00 0.00 C ATOM 636 CG GLN A 41 -8.145 -3.656 -6.096 1.00 0.00 C ATOM 637 CD GLN A 41 -9.309 -2.967 -6.783 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.455 -3.358 -6.617 1.00 0.00 O ATOM 639 NE2 GLN A 41 -9.009 -1.938 -7.566 1.00 0.00 N ATOM 0 H GLN A 41 -7.574 -5.461 -3.574 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.353 -2.843 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.087 -1.970 -4.800 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.782 -3.114 -4.556 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.258 -3.589 -6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.369 -4.716 -5.972 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.038 -1.646 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.750 -1.439 -8.059 1.00 0.00 H new ATOM 648 N GLY A 42 -10.747 -4.806 -3.427 1.00 0.00 N ATOM 649 CA GLY A 42 -12.175 -4.899 -3.248 1.00 0.00 C ATOM 650 C GLY A 42 -12.570 -4.338 -1.887 1.00 0.00 C ATOM 651 O GLY A 42 -13.431 -3.455 -1.799 1.00 0.00 O ATOM 0 H GLY A 42 -10.264 -5.701 -3.503 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.685 -4.349 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.492 -5.939 -3.327 1.00 0.00 H new ATOM 655 N SER A 43 -11.900 -4.790 -0.815 1.00 0.00 N ATOM 656 CA SER A 43 -12.175 -4.243 0.511 1.00 0.00 C ATOM 657 C SER A 43 -11.676 -2.790 0.613 1.00 0.00 C ATOM 658 O SER A 43 -12.208 -1.995 1.387 1.00 0.00 O ATOM 659 CB SER A 43 -11.613 -5.132 1.647 1.00 0.00 C ATOM 660 OG SER A 43 -10.214 -5.342 1.518 1.00 0.00 O ATOM 0 H SER A 43 -11.183 -5.515 -0.843 1.00 0.00 H new ATOM 0 HA SER A 43 -13.257 -4.237 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.822 -4.665 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.126 -6.094 1.642 1.00 0.00 H new ATOM 0 HG SER A 43 -10.050 -6.071 0.884 1.00 0.00 H new ATOM 666 N LEU A 44 -10.673 -2.448 -0.211 1.00 0.00 N ATOM 667 CA LEU A 44 -10.173 -1.083 -0.306 1.00 0.00 C ATOM 668 C LEU A 44 -11.314 -0.159 -0.808 1.00 0.00 C ATOM 669 O LEU A 44 -11.377 1.011 -0.436 1.00 0.00 O ATOM 670 CB LEU A 44 -8.866 -0.981 -1.184 1.00 0.00 C ATOM 671 CG LEU A 44 -7.682 -1.928 -0.838 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.338 -1.577 -1.575 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.513 -2.086 0.659 1.00 0.00 C ATOM 0 H LEU A 44 -10.194 -3.110 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.869 -0.746 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.146 -1.160 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.502 0.045 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.957 -2.905 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.564 -2.285 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.488 -1.635 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.028 -0.567 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.676 -2.755 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.317 -1.112 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.424 -2.505 1.086 1.00 0.00 H new ATOM 685 N PHE A 45 -12.237 -0.713 -1.648 1.00 0.00 N ATOM 686 CA PHE A 45 -13.481 0.018 -2.005 1.00 0.00 C ATOM 687 C PHE A 45 -14.485 -0.054 -0.867 1.00 0.00 C ATOM 688 O PHE A 45 -15.124 0.933 -0.515 1.00 0.00 O ATOM 689 CB PHE A 45 -14.208 -0.573 -3.228 1.00 0.00 C ATOM 690 CG PHE A 45 -13.595 -0.339 -4.559 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.469 0.945 -5.055 1.00 0.00 C ATOM 692 CD2 PHE A 45 -13.191 -1.399 -5.340 1.00 0.00 C ATOM 693 CE1 PHE A 45 -12.939 1.164 -6.299 1.00 0.00 C ATOM 694 CE2 PHE A 45 -12.655 -1.182 -6.586 1.00 0.00 C ATOM 695 CZ PHE A 45 -12.529 0.100 -7.064 1.00 0.00 C ATOM 0 H PHE A 45 -12.145 -1.634 -2.076 1.00 0.00 H new ATOM 0 HA PHE A 45 -13.155 1.036 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -14.296 -1.649 -3.081 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.221 -0.170 -3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.792 1.784 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.296 -2.408 -4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.844 2.171 -6.677 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -12.333 -2.018 -7.189 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.107 0.271 -8.043 1.00 0.00 H new ATOM 705 N ASN A 46 -14.622 -1.243 -0.307 1.00 0.00 N ATOM 706 CA ASN A 46 -15.657 -1.541 0.694 1.00 0.00 C ATOM 707 C ASN A 46 -15.516 -0.747 1.984 1.00 0.00 C ATOM 708 O ASN A 46 -16.512 -0.446 2.632 1.00 0.00 O ATOM 709 CB ASN A 46 -15.778 -3.055 0.973 1.00 0.00 C ATOM 710 CG ASN A 46 -16.205 -3.842 -0.259 1.00 0.00 C ATOM 711 OD1 ASN A 46 -16.895 -3.314 -1.148 1.00 0.00 O ATOM 712 ND2 ASN A 46 -15.805 -5.092 -0.337 1.00 0.00 N ATOM 0 H ASN A 46 -14.022 -2.038 -0.527 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.591 -1.208 0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -14.820 -3.434 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.501 -3.217 1.773 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.060 -5.660 -1.145 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.240 -5.494 0.411 1.00 0.00 H new ATOM 719 N ALA A 47 -14.297 -0.400 2.360 1.00 0.00 N ATOM 720 CA ALA A 47 -14.080 0.414 3.560 1.00 0.00 C ATOM 721 C ALA A 47 -14.117 1.905 3.206 1.00 0.00 C ATOM 722 O ALA A 47 -13.914 2.771 4.064 1.00 0.00 O ATOM 723 CB ALA A 47 -12.770 0.041 4.238 1.00 0.00 C ATOM 0 H ALA A 47 -13.446 -0.662 1.863 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.886 0.212 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.631 0.658 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.796 -1.010 4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.943 0.207 3.548 1.00 0.00 H new ATOM 729 N ASN A 48 -14.385 2.169 1.925 1.00 0.00 N ATOM 730 CA ASN A 48 -14.521 3.502 1.349 1.00 0.00 C ATOM 731 C ASN A 48 -13.274 4.376 1.621 1.00 0.00 C ATOM 732 O ASN A 48 -13.347 5.348 2.369 1.00 0.00 O ATOM 733 CB ASN A 48 -15.812 4.197 1.881 1.00 0.00 C ATOM 734 CG ASN A 48 -16.151 5.497 1.142 1.00 0.00 C ATOM 735 OD1 ASN A 48 -15.780 6.599 1.557 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.844 5.374 0.038 1.00 0.00 N ATOM 0 H ASN A 48 -14.518 1.428 1.236 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.606 3.387 0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.651 3.507 1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.689 4.412 2.942 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.091 6.202 -0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.137 4.450 -0.280 1.00 0.00 H new ATOM 743 N TYR A 49 -12.095 3.987 1.120 1.00 0.00 N ATOM 744 CA TYR A 49 -10.945 4.812 1.302 1.00 0.00 C ATOM 745 C TYR A 49 -10.732 5.646 0.000 1.00 0.00 C ATOM 746 O TYR A 49 -11.128 5.180 -1.071 1.00 0.00 O ATOM 747 CB TYR A 49 -9.734 3.926 1.556 1.00 0.00 C ATOM 748 CG TYR A 49 -9.403 3.599 2.978 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.264 4.584 3.943 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.189 2.287 3.342 1.00 0.00 C ATOM 751 CE1 TYR A 49 -8.925 4.257 5.238 1.00 0.00 C ATOM 752 CE2 TYR A 49 -8.842 1.942 4.622 1.00 0.00 C ATOM 753 CZ TYR A 49 -8.712 2.934 5.576 1.00 0.00 C ATOM 754 OH TYR A 49 -8.347 2.610 6.870 1.00 0.00 O ATOM 0 H TYR A 49 -11.936 3.124 0.601 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.080 5.481 2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.886 2.988 1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.864 4.409 1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.423 5.619 3.677 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.298 1.511 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.826 5.031 5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.672 0.908 4.882 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.236 1.639 6.945 1.00 0.00 H new ATOM 764 N ASP A 50 -10.124 6.858 0.054 1.00 0.00 N ATOM 765 CA ASP A 50 -9.912 7.641 -1.172 1.00 0.00 C ATOM 766 C ASP A 50 -8.591 7.243 -1.834 1.00 0.00 C ATOM 767 O ASP A 50 -7.527 7.815 -1.563 1.00 0.00 O ATOM 768 CB ASP A 50 -9.977 9.145 -0.867 1.00 0.00 C ATOM 769 CG ASP A 50 -9.701 10.026 -2.058 1.00 0.00 C ATOM 770 OD1 ASP A 50 -10.339 9.860 -3.118 1.00 0.00 O ATOM 771 OD2 ASP A 50 -8.828 10.907 -1.958 1.00 0.00 O ATOM 0 H ASP A 50 -9.784 7.297 0.910 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.711 7.421 -1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.965 9.383 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.257 9.377 -0.082 1.00 0.00 H new ATOM 776 N VAL A 51 -8.658 6.166 -2.587 1.00 0.00 N ATOM 777 CA VAL A 51 -7.499 5.538 -3.231 1.00 0.00 C ATOM 778 C VAL A 51 -7.880 4.887 -4.574 1.00 0.00 C ATOM 779 O VAL A 51 -9.045 4.669 -4.843 1.00 0.00 O ATOM 780 CB VAL A 51 -6.908 4.420 -2.312 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.019 4.964 -1.234 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.017 3.679 -1.655 1.00 0.00 C ATOM 0 H VAL A 51 -9.536 5.683 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.766 6.327 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.313 3.771 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.638 4.142 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.184 5.499 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.588 5.647 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.604 2.900 -1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.609 4.368 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.652 3.225 -2.416 1.00 0.00 H new ATOM 792 N GLN A 52 -6.880 4.552 -5.376 1.00 0.00 N ATOM 793 CA GLN A 52 -7.037 3.755 -6.626 1.00 0.00 C ATOM 794 C GLN A 52 -5.990 2.674 -6.553 1.00 0.00 C ATOM 795 O GLN A 52 -4.852 2.953 -6.325 1.00 0.00 O ATOM 796 CB GLN A 52 -6.837 4.588 -7.925 1.00 0.00 C ATOM 797 CG GLN A 52 -7.854 5.713 -8.164 1.00 0.00 C ATOM 798 CD GLN A 52 -7.641 6.942 -7.290 1.00 0.00 C ATOM 799 OE1 GLN A 52 -8.598 7.627 -6.920 1.00 0.00 O ATOM 800 NE2 GLN A 52 -6.398 7.271 -7.009 1.00 0.00 N ATOM 0 H GLN A 52 -5.914 4.821 -5.191 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.055 3.369 -6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.839 5.026 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.868 3.909 -8.777 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.808 6.013 -9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.857 5.325 -7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.630 6.682 -7.330 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.203 8.115 -6.470 1.00 0.00 H new ATOM 809 N ARG A 53 -6.374 1.450 -6.656 1.00 0.00 N ATOM 810 CA ARG A 53 -5.432 0.369 -6.430 1.00 0.00 C ATOM 811 C ARG A 53 -5.411 -0.520 -7.621 1.00 0.00 C ATOM 812 O ARG A 53 -6.470 -0.807 -8.193 1.00 0.00 O ATOM 813 CB ARG A 53 -5.743 -0.405 -5.134 1.00 0.00 C ATOM 814 CG ARG A 53 -5.765 0.442 -3.875 1.00 0.00 C ATOM 815 CD ARG A 53 -7.015 1.243 -3.798 1.00 0.00 C ATOM 816 NE ARG A 53 -8.233 0.423 -3.982 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.499 0.894 -3.992 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.746 2.172 -3.886 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.500 0.074 -4.120 1.00 0.00 N ATOM 0 H ARG A 53 -7.322 1.156 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.437 0.792 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.711 -0.893 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.000 -1.193 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.685 -0.200 -2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.901 1.106 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.062 1.743 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.989 2.023 -4.559 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.106 -0.581 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.976 2.834 -3.794 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.709 2.508 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.330 -0.927 -4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.455 0.432 -4.127 1.00 0.00 H new ATOM 833 N PHE A 54 -4.242 -0.959 -8.007 1.00 0.00 N ATOM 834 CA PHE A 54 -4.128 -1.596 -9.312 1.00 0.00 C ATOM 835 C PHE A 54 -3.310 -2.879 -9.286 1.00 0.00 C ATOM 836 O PHE A 54 -2.443 -3.066 -8.414 1.00 0.00 O ATOM 837 CB PHE A 54 -3.570 -0.571 -10.338 1.00 0.00 C ATOM 838 CG PHE A 54 -3.670 -0.976 -11.796 1.00 0.00 C ATOM 839 CD1 PHE A 54 -4.897 -1.312 -12.349 1.00 0.00 C ATOM 840 CD2 PHE A 54 -2.552 -0.991 -12.616 1.00 0.00 C ATOM 841 CE1 PHE A 54 -5.004 -1.657 -13.680 1.00 0.00 C ATOM 842 CE2 PHE A 54 -2.656 -1.339 -13.948 1.00 0.00 C ATOM 843 CZ PHE A 54 -3.883 -1.672 -14.481 1.00 0.00 C ATOM 0 H PHE A 54 -3.379 -0.896 -7.467 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.127 -1.906 -9.620 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.100 0.372 -10.205 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.522 -0.384 -10.103 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.781 -1.303 -11.729 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.588 -0.727 -12.208 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.967 -1.916 -14.095 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.775 -1.350 -14.573 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.965 -1.944 -15.523 1.00 0.00 H new ATOM 853 N ILE A 55 -3.635 -3.771 -10.200 1.00 0.00 N ATOM 854 CA ILE A 55 -2.886 -4.976 -10.436 1.00 0.00 C ATOM 855 C ILE A 55 -1.722 -4.645 -11.364 1.00 0.00 C ATOM 856 O ILE A 55 -1.921 -4.141 -12.472 1.00 0.00 O ATOM 857 CB ILE A 55 -3.750 -6.068 -11.133 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.017 -6.357 -10.329 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.940 -7.351 -11.335 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.902 -7.421 -10.932 1.00 0.00 C ATOM 0 H ILE A 55 -4.446 -3.670 -10.810 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.549 -5.358 -9.472 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.046 -5.689 -12.111 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.733 -6.664 -9.322 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.590 -5.435 -10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.562 -8.101 -11.823 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.071 -7.139 -11.958 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.609 -7.728 -10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.779 -7.566 -10.301 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.219 -7.110 -11.927 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.348 -8.357 -11.004 1.00 0.00 H new ATOM 872 N VAL A 56 -0.540 -4.929 -10.935 1.00 0.00 N ATOM 873 CA VAL A 56 0.622 -4.698 -11.729 1.00 0.00 C ATOM 874 C VAL A 56 1.008 -6.028 -12.283 1.00 0.00 C ATOM 875 O VAL A 56 1.393 -6.152 -13.438 1.00 0.00 O ATOM 876 CB VAL A 56 1.791 -4.113 -10.906 1.00 0.00 C ATOM 877 CG1 VAL A 56 2.971 -3.758 -11.795 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.345 -2.901 -10.129 1.00 0.00 C ATOM 0 H VAL A 56 -0.349 -5.331 -10.017 1.00 0.00 H new ATOM 0 HA VAL A 56 0.404 -3.967 -12.507 1.00 0.00 H new ATOM 0 HB VAL A 56 2.113 -4.882 -10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.776 -3.349 -11.185 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.323 -4.653 -12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.662 -3.016 -12.532 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.185 -2.506 -9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.986 -2.138 -10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.542 -3.181 -9.448 1.00 0.00 H new ATOM 888 N GLY A 57 0.866 -7.039 -11.451 1.00 0.00 N ATOM 889 CA GLY A 57 1.123 -8.378 -11.917 1.00 0.00 C ATOM 890 C GLY A 57 1.549 -9.298 -10.837 1.00 0.00 C ATOM 891 O GLY A 57 1.344 -9.009 -9.653 1.00 0.00 O ATOM 0 H GLY A 57 0.582 -6.961 -10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.222 -8.772 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.896 -8.347 -12.685 1.00 0.00 H new ATOM 895 N SER A 58 2.116 -10.410 -11.237 1.00 0.00 N ATOM 896 CA SER A 58 2.621 -11.428 -10.340 1.00 0.00 C ATOM 897 C SER A 58 3.567 -10.798 -9.341 1.00 0.00 C ATOM 898 O SER A 58 4.540 -10.154 -9.760 1.00 0.00 O ATOM 899 CB SER A 58 3.394 -12.478 -11.155 1.00 0.00 C ATOM 900 OG SER A 58 2.564 -13.093 -12.151 1.00 0.00 O ATOM 0 H SER A 58 2.244 -10.641 -12.222 1.00 0.00 H new ATOM 0 HA SER A 58 1.787 -11.895 -9.816 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.251 -12.007 -11.636 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.786 -13.243 -10.485 1.00 0.00 H new ATOM 0 HG SER A 58 3.088 -13.753 -12.651 1.00 0.00 H new ATOM 906 N ASP A 59 3.236 -10.887 -8.024 1.00 0.00 N ATOM 907 CA ASP A 59 4.141 -10.402 -6.990 1.00 0.00 C ATOM 908 C ASP A 59 4.171 -8.835 -6.933 1.00 0.00 C ATOM 909 O ASP A 59 4.981 -8.227 -6.241 1.00 0.00 O ATOM 910 CB ASP A 59 5.547 -11.126 -7.184 1.00 0.00 C ATOM 911 CG ASP A 59 6.802 -10.460 -6.615 1.00 0.00 C ATOM 912 OD1 ASP A 59 7.324 -9.509 -7.250 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.365 -10.953 -5.609 1.00 0.00 O ATOM 0 H ASP A 59 2.364 -11.284 -7.676 1.00 0.00 H new ATOM 0 HA ASP A 59 3.789 -10.668 -5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.471 -12.119 -6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.703 -11.264 -8.254 1.00 0.00 H new ATOM 918 N ARG A 60 3.195 -8.176 -7.594 1.00 0.00 N ATOM 919 CA ARG A 60 3.178 -6.712 -7.633 1.00 0.00 C ATOM 920 C ARG A 60 1.714 -6.140 -7.652 1.00 0.00 C ATOM 921 O ARG A 60 0.906 -6.461 -8.546 1.00 0.00 O ATOM 922 CB ARG A 60 3.961 -6.275 -8.864 1.00 0.00 C ATOM 923 CG ARG A 60 4.610 -4.902 -8.783 1.00 0.00 C ATOM 924 CD ARG A 60 5.567 -4.791 -7.595 1.00 0.00 C ATOM 925 NE ARG A 60 6.435 -5.987 -7.425 1.00 0.00 N ATOM 926 CZ ARG A 60 7.792 -6.004 -7.425 1.00 0.00 C ATOM 927 NH1 ARG A 60 8.492 -4.888 -7.576 1.00 0.00 N ATOM 928 NH2 ARG A 60 8.438 -7.150 -7.255 1.00 0.00 N ATOM 0 H ARG A 60 2.429 -8.628 -8.094 1.00 0.00 H new ATOM 0 HA ARG A 60 3.640 -6.315 -6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.739 -7.013 -9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.289 -6.288 -9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.154 -4.703 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.836 -4.139 -8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.196 -3.910 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.988 -4.638 -6.684 1.00 0.00 H new ATOM 0 HE ARG A 60 5.964 -6.882 -7.296 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.011 -3.996 -7.695 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.511 -4.921 -7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.915 -8.016 -7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.458 -7.165 -7.255 1.00 0.00 H new ATOM 942 N ALA A 61 1.424 -5.250 -6.707 1.00 0.00 N ATOM 943 CA ALA A 61 0.086 -4.667 -6.482 1.00 0.00 C ATOM 944 C ALA A 61 0.275 -3.212 -6.138 1.00 0.00 C ATOM 945 O ALA A 61 1.419 -2.814 -5.853 1.00 0.00 O ATOM 946 CB ALA A 61 -0.575 -5.379 -5.300 1.00 0.00 C ATOM 0 H ALA A 61 2.125 -4.899 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.540 -4.777 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.564 -4.955 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.670 -6.442 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.037 -5.248 -4.408 1.00 0.00 H new ATOM 952 N ILE A 62 -0.770 -2.381 -6.212 1.00 0.00 N ATOM 953 CA ILE A 62 -0.597 -1.011 -5.742 1.00 0.00 C ATOM 954 C ILE A 62 -1.765 -0.579 -4.964 1.00 0.00 C ATOM 955 O ILE A 62 -2.906 -1.063 -5.212 1.00 0.00 O ATOM 956 CB ILE A 62 -0.459 0.094 -6.845 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.836 0.746 -7.173 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.165 -0.444 -8.094 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.725 1.928 -8.088 1.00 0.00 C ATOM 0 H ILE A 62 -1.694 -2.617 -6.572 1.00 0.00 H new ATOM 0 HA ILE A 62 0.336 -1.079 -5.182 1.00 0.00 H new ATOM 0 HB ILE A 62 0.200 0.862 -6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.485 -0.001 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.314 1.057 -6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.243 0.353 -8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.160 -0.828 -7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.453 -1.249 -8.492 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.718 2.336 -8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.102 2.691 -7.622 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.275 1.617 -9.031 1.00 0.00 H new ATOM 971 N PHE A 63 -1.487 0.408 -4.113 1.00 0.00 N ATOM 972 CA PHE A 63 -2.468 1.198 -3.423 1.00 0.00 C ATOM 973 C PHE A 63 -2.115 2.627 -3.749 1.00 0.00 C ATOM 974 O PHE A 63 -1.136 3.160 -3.211 1.00 0.00 O ATOM 975 CB PHE A 63 -2.394 1.099 -1.891 1.00 0.00 C ATOM 976 CG PHE A 63 -2.551 -0.238 -1.254 1.00 0.00 C ATOM 977 CD1 PHE A 63 -2.409 -1.421 -1.964 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.779 -0.307 0.096 1.00 0.00 C ATOM 979 CE1 PHE A 63 -2.480 -2.631 -1.345 1.00 0.00 C ATOM 980 CE2 PHE A 63 -2.853 -1.502 0.703 1.00 0.00 C ATOM 981 CZ PHE A 63 -2.697 -2.677 -0.002 1.00 0.00 C ATOM 0 H PHE A 63 -0.530 0.678 -3.886 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.457 0.857 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.431 1.503 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.162 1.754 -1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.239 -1.381 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.899 0.599 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.366 -3.543 -1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.039 -1.544 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.747 -3.628 0.508 1.00 0.00 H new ATOM 991 N MET A 64 -2.802 3.232 -4.655 1.00 0.00 N ATOM 992 CA MET A 64 -2.509 4.650 -4.905 1.00 0.00 C ATOM 993 C MET A 64 -3.267 5.470 -3.907 1.00 0.00 C ATOM 994 O MET A 64 -4.477 5.674 -4.049 1.00 0.00 O ATOM 995 CB MET A 64 -2.816 5.120 -6.337 1.00 0.00 C ATOM 996 CG MET A 64 -2.513 6.602 -6.562 1.00 0.00 C ATOM 997 SD MET A 64 -2.920 7.161 -8.224 1.00 0.00 S ATOM 998 CE MET A 64 -2.433 8.889 -8.136 1.00 0.00 C ATOM 0 H MET A 64 -3.540 2.817 -5.224 1.00 0.00 H new ATOM 0 HA MET A 64 -1.433 4.783 -4.793 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.233 4.526 -7.041 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.867 4.933 -6.556 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.072 7.195 -5.838 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.455 6.783 -6.373 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.626 9.371 -9.095 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.007 9.390 -7.357 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.370 8.956 -7.903 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.572 5.896 -2.889 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.161 6.605 -1.808 1.00 0.00 C ATOM 1010 C LEU A 65 -3.020 8.042 -1.938 1.00 0.00 C ATOM 1011 O LEU A 65 -2.070 8.559 -2.504 1.00 0.00 O ATOM 1012 CB LEU A 65 -2.769 6.160 -0.424 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.392 6.546 0.126 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -1.349 6.264 1.580 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.264 5.840 -0.589 1.00 0.00 C ATOM 0 H LEU A 65 -1.566 5.754 -2.794 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.213 6.337 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.518 6.545 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.839 5.073 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.248 7.612 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.371 6.537 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.120 6.845 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.525 5.202 1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.689 6.150 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.380 4.762 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.286 6.098 -1.648 1.00 0.00 H new ATOM 1027 N ARG A 66 -3.968 8.670 -1.443 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.072 10.100 -1.601 1.00 0.00 C ATOM 1029 C ARG A 66 -3.814 10.931 -0.329 1.00 0.00 C ATOM 1030 O ARG A 66 -2.957 11.805 -0.370 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.286 10.497 -2.458 1.00 0.00 C ATOM 1032 CG ARG A 66 -5.505 11.985 -2.666 1.00 0.00 C ATOM 1033 CD ARG A 66 -6.234 12.216 -3.984 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.383 11.319 -4.146 1.00 0.00 N ATOM 1035 CZ ARG A 66 -7.690 10.639 -5.261 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -6.846 10.616 -6.294 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -8.795 9.914 -5.299 1.00 0.00 N ATOM 0 H ARG A 66 -4.722 8.244 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.209 10.404 -2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.183 10.026 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.181 10.081 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.086 12.396 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.548 12.506 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.573 13.251 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.540 12.068 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.001 11.202 -3.343 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.960 11.118 -6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.087 10.097 -7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.407 9.874 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.035 9.394 -6.143 1.00 0.00 H new ATOM 1051 N ASP A 67 -4.523 10.684 0.789 1.00 0.00 N ATOM 1052 CA ASP A 67 -4.213 11.386 2.067 1.00 0.00 C ATOM 1053 C ASP A 67 -2.712 11.238 2.584 1.00 0.00 C ATOM 1054 O ASP A 67 -2.340 11.902 3.531 1.00 0.00 O ATOM 1055 CB ASP A 67 -5.160 10.902 3.177 1.00 0.00 C ATOM 1056 CG ASP A 67 -5.195 11.842 4.363 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -5.702 12.961 4.220 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -4.711 11.481 5.454 1.00 0.00 O ATOM 0 H ASP A 67 -5.297 10.022 0.843 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.354 12.443 1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.166 10.797 2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.847 9.913 3.511 1.00 0.00 H new ATOM 1063 N GLY A 68 -1.854 10.375 1.979 1.00 0.00 N ATOM 1064 CA GLY A 68 -0.495 10.186 2.489 1.00 0.00 C ATOM 1065 C GLY A 68 -0.413 9.207 3.655 1.00 0.00 C ATOM 1066 O GLY A 68 0.574 8.514 3.815 1.00 0.00 O ATOM 0 H GLY A 68 -2.084 9.817 1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.142 9.829 1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.097 11.150 2.806 1.00 0.00 H new ATOM 1070 N SER A 69 -1.459 9.156 4.436 1.00 0.00 N ATOM 1071 CA SER A 69 -1.494 8.360 5.651 1.00 0.00 C ATOM 1072 C SER A 69 -1.800 6.831 5.488 1.00 0.00 C ATOM 1073 O SER A 69 -0.924 5.998 5.620 1.00 0.00 O ATOM 1074 CB SER A 69 -2.516 8.995 6.577 1.00 0.00 C ATOM 1075 OG SER A 69 -3.754 9.140 5.887 1.00 0.00 O ATOM 0 H SER A 69 -2.322 9.667 4.252 1.00 0.00 H new ATOM 0 HA SER A 69 -0.479 8.371 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.652 8.377 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.160 9.968 6.917 1.00 0.00 H new ATOM 0 HG SER A 69 -4.094 10.051 6.013 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.035 6.511 5.118 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.635 5.176 5.255 1.00 0.00 C ATOM 1083 C TYR A 70 -2.856 3.914 4.825 1.00 0.00 C ATOM 1084 O TYR A 70 -3.018 2.863 5.446 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.098 5.149 4.756 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.497 6.157 3.654 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.940 6.156 2.376 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.498 7.081 3.899 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.360 7.038 1.415 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.916 7.968 2.934 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.344 7.937 1.695 1.00 0.00 C ATOM 1092 OH TYR A 70 -6.739 8.839 0.731 1.00 0.00 O ATOM 0 H TYR A 70 -3.671 7.190 4.701 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.582 5.062 6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.308 4.146 4.386 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.749 5.315 5.614 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.162 5.446 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.963 7.106 4.873 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.910 7.020 0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.693 8.685 3.156 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.129 8.357 -0.028 1.00 0.00 H new ATOM 1102 N ALA A 71 -1.980 4.020 3.868 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.412 2.836 3.216 1.00 0.00 C ATOM 1104 C ALA A 71 -0.569 1.913 4.092 1.00 0.00 C ATOM 1105 O ALA A 71 -0.648 0.697 3.948 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.686 3.202 1.949 1.00 0.00 C ATOM 0 H ALA A 71 -1.632 4.909 3.509 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.288 2.233 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.277 2.301 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.380 3.678 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.126 3.892 2.181 1.00 0.00 H new ATOM 1112 N TRP A 72 0.179 2.446 5.022 1.00 0.00 N ATOM 1113 CA TRP A 72 1.085 1.590 5.749 1.00 0.00 C ATOM 1114 C TRP A 72 0.421 0.848 6.916 1.00 0.00 C ATOM 1115 O TRP A 72 0.883 -0.229 7.347 1.00 0.00 O ATOM 1116 CB TRP A 72 2.431 2.280 6.024 1.00 0.00 C ATOM 1117 CG TRP A 72 3.132 2.559 4.703 1.00 0.00 C ATOM 1118 CD1 TRP A 72 3.928 1.700 4.007 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.055 3.752 3.890 1.00 0.00 C ATOM 1120 NE1 TRP A 72 4.330 2.282 2.824 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.811 3.517 2.731 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.430 4.980 4.017 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.942 4.457 1.719 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.585 5.900 3.003 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.335 5.617 1.869 1.00 0.00 C ATOM 0 H TRP A 72 0.184 3.430 5.289 1.00 0.00 H new ATOM 0 HA TRP A 72 1.361 0.759 5.100 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.271 3.211 6.568 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.056 1.646 6.654 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.204 0.708 4.334 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.930 1.842 2.126 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.836 5.211 4.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.524 4.244 0.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.111 6.866 3.092 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.423 6.364 1.093 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.717 1.355 7.363 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.523 0.614 8.323 1.00 0.00 C ATOM 1138 C GLU A 73 -2.209 -0.527 7.572 1.00 0.00 C ATOM 1139 O GLU A 73 -2.314 -1.705 8.062 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.539 1.526 9.049 1.00 0.00 C ATOM 1141 CG GLU A 73 -1.887 2.548 9.949 1.00 0.00 C ATOM 1142 CD GLU A 73 -1.047 1.890 11.000 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -1.620 1.294 11.947 1.00 0.00 O ATOM 1144 OE2 GLU A 73 0.195 1.917 10.891 1.00 0.00 O ATOM 0 H GLU A 73 -1.099 2.259 7.084 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.886 0.208 9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.149 2.042 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.213 0.908 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.268 3.219 9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.654 3.160 10.424 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.568 -0.226 6.316 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.139 -1.207 5.474 1.00 0.00 C ATOM 1153 C ILE A 74 -2.075 -2.288 5.222 1.00 0.00 C ATOM 1154 O ILE A 74 -2.362 -3.488 5.159 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.603 -0.651 4.100 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.663 0.419 4.226 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.208 -1.788 3.402 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.669 1.414 3.115 1.00 0.00 C ATOM 0 H ILE A 74 -2.461 0.695 5.890 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.025 -1.595 5.977 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.751 -0.206 3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.641 -0.060 4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.519 0.946 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.559 -1.468 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.466 -2.578 3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.049 -2.166 3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.460 2.145 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.706 1.924 3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.845 0.902 2.169 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.838 -1.846 5.139 1.00 0.00 N ATOM 1171 CA LYS A 75 0.254 -2.702 4.892 1.00 0.00 C ATOM 1172 C LYS A 75 0.506 -3.644 6.057 1.00 0.00 C ATOM 1173 O LYS A 75 0.927 -4.819 5.857 1.00 0.00 O ATOM 1174 CB LYS A 75 1.452 -1.886 4.407 1.00 0.00 C ATOM 1175 CG LYS A 75 2.775 -2.645 4.253 1.00 0.00 C ATOM 1176 CD LYS A 75 3.518 -2.812 5.571 1.00 0.00 C ATOM 1177 CE LYS A 75 4.744 -3.689 5.413 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.486 -3.828 6.681 1.00 0.00 N ATOM 0 H LYS A 75 -0.581 -0.865 5.246 1.00 0.00 H new ATOM 0 HA LYS A 75 0.025 -3.385 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.197 -1.444 3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.609 -1.063 5.104 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.577 -3.628 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.413 -2.114 3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.816 -1.834 5.948 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.850 -3.250 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.442 -4.675 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.400 -3.264 4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.317 -4.435 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.796 -2.890 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.868 -4.257 7.399 1.00 0.00 H new ATOM 1192 N ASP A 76 0.241 -3.164 7.258 1.00 0.00 N ATOM 1193 CA ASP A 76 0.252 -4.052 8.413 1.00 0.00 C ATOM 1194 C ASP A 76 -0.764 -5.176 8.191 1.00 0.00 C ATOM 1195 O ASP A 76 -0.417 -6.379 8.354 1.00 0.00 O ATOM 1196 CB ASP A 76 -0.068 -3.322 9.709 1.00 0.00 C ATOM 1197 CG ASP A 76 -0.014 -4.245 10.912 1.00 0.00 C ATOM 1198 OD1 ASP A 76 1.077 -4.394 11.515 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -1.050 -4.818 11.296 1.00 0.00 O ATOM 0 H ASP A 76 0.020 -2.189 7.461 1.00 0.00 H new ATOM 0 HA ASP A 76 1.259 -4.458 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.639 -2.504 9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.060 -2.877 9.638 1.00 0.00 H new ATOM 1204 N PHE A 77 -2.009 -4.798 7.754 1.00 0.00 N ATOM 1205 CA PHE A 77 -3.066 -5.839 7.456 1.00 0.00 C ATOM 1206 C PHE A 77 -2.490 -6.904 6.494 1.00 0.00 C ATOM 1207 O PHE A 77 -2.625 -8.119 6.698 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.338 -5.274 6.744 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.976 -4.030 7.312 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -4.898 -3.725 8.656 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.686 -3.167 6.471 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.500 -2.589 9.157 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.286 -2.033 6.972 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.194 -1.744 8.313 1.00 0.00 C ATOM 0 H PHE A 77 -2.301 -3.832 7.604 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.351 -6.238 8.430 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.076 -5.070 5.706 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.092 -6.061 6.734 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.360 -4.383 9.323 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.765 -3.392 5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.429 -2.360 10.210 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.828 -1.372 6.312 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.665 -0.855 8.707 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.848 -6.419 5.462 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.253 -7.250 4.404 1.00 0.00 C ATOM 1226 C LEU A 78 -0.346 -8.276 4.940 1.00 0.00 C ATOM 1227 O LEU A 78 -0.609 -9.449 4.796 1.00 0.00 O ATOM 1228 CB LEU A 78 -0.411 -6.427 3.551 1.00 0.00 C ATOM 1229 CG LEU A 78 -0.962 -5.172 3.058 1.00 0.00 C ATOM 1230 CD1 LEU A 78 0.094 -4.597 2.250 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -2.187 -5.433 2.250 1.00 0.00 C ATOM 0 H LEU A 78 -1.712 -5.419 5.315 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.090 -7.708 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.501 -6.198 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.121 -7.027 2.688 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.263 -4.498 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.240 -3.645 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.978 -4.435 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.340 -5.278 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.591 -4.488 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.935 -6.070 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.932 -5.932 2.870 1.00 0.00 H new ATOM 1243 N VAL A 79 0.737 -7.844 5.570 1.00 0.00 N ATOM 1244 CA VAL A 79 1.712 -8.801 6.054 1.00 0.00 C ATOM 1245 C VAL A 79 1.192 -9.624 7.201 1.00 0.00 C ATOM 1246 O VAL A 79 1.794 -10.629 7.585 1.00 0.00 O ATOM 1247 CB VAL A 79 3.111 -8.209 6.324 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.765 -7.853 5.006 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.030 -6.984 7.216 1.00 0.00 C ATOM 0 H VAL A 79 0.957 -6.865 5.753 1.00 0.00 H new ATOM 0 HA VAL A 79 1.866 -9.487 5.221 1.00 0.00 H new ATOM 0 HB VAL A 79 3.710 -8.957 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.754 -7.434 5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.860 -8.749 4.393 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.153 -7.119 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.032 -6.591 7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.419 -6.222 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.580 -7.258 8.170 1.00 0.00 H new ATOM 1259 N SER A 80 0.062 -9.218 7.730 1.00 0.00 N ATOM 1260 CA SER A 80 -0.595 -10.008 8.704 1.00 0.00 C ATOM 1261 C SER A 80 -1.677 -10.933 8.071 1.00 0.00 C ATOM 1262 O SER A 80 -2.195 -11.813 8.770 1.00 0.00 O ATOM 1263 CB SER A 80 -1.209 -9.117 9.781 1.00 0.00 C ATOM 1264 OG SER A 80 -0.225 -8.232 10.326 1.00 0.00 O ATOM 0 H SER A 80 -0.409 -8.345 7.493 1.00 0.00 H new ATOM 0 HA SER A 80 0.152 -10.655 9.163 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.030 -8.539 9.357 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.630 -9.734 10.575 1.00 0.00 H new ATOM 0 HG SER A 80 -0.138 -7.445 9.749 1.00 0.00 H new ATOM 1270 N GLN A 81 -2.056 -10.772 6.754 1.00 0.00 N ATOM 1271 CA GLN A 81 -3.114 -11.654 6.278 1.00 0.00 C ATOM 1272 C GLN A 81 -2.705 -12.417 5.069 1.00 0.00 C ATOM 1273 O GLN A 81 -3.148 -13.545 4.850 1.00 0.00 O ATOM 1274 CB GLN A 81 -4.394 -10.880 5.995 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.973 -10.170 7.200 1.00 0.00 C ATOM 1276 CD GLN A 81 -6.155 -9.329 6.832 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -7.304 -9.761 6.895 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -5.884 -8.148 6.396 1.00 0.00 N ATOM 0 H GLN A 81 -1.674 -10.103 6.085 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.305 -12.369 7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -4.195 -10.144 5.216 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.141 -11.568 5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.268 -10.905 7.948 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.207 -9.542 7.655 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.916 -7.827 6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.637 -7.533 6.087 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.837 -11.840 4.318 1.00 0.00 N ATOM 1288 CA ASP A 82 -1.451 -12.374 3.061 1.00 0.00 C ATOM 1289 C ASP A 82 0.095 -12.340 2.977 1.00 0.00 C ATOM 1290 O ASP A 82 0.728 -11.698 3.824 1.00 0.00 O ATOM 1291 CB ASP A 82 -2.162 -11.550 1.966 1.00 0.00 C ATOM 1292 CG ASP A 82 -3.643 -11.850 1.895 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -4.021 -12.862 1.258 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -4.454 -11.085 2.463 1.00 0.00 O ATOM 0 H ASP A 82 -1.367 -10.969 4.563 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.748 -13.414 2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.017 -10.488 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.704 -11.761 1.000 1.00 0.00 H new ATOM 1299 N ARG A 83 0.734 -13.012 2.003 1.00 0.00 N ATOM 1300 CA ARG A 83 2.208 -13.084 1.981 1.00 0.00 C ATOM 1301 C ARG A 83 2.851 -11.859 1.339 1.00 0.00 C ATOM 1302 O ARG A 83 3.510 -11.953 0.292 1.00 0.00 O ATOM 1303 CB ARG A 83 2.714 -14.377 1.305 1.00 0.00 C ATOM 1304 CG ARG A 83 2.633 -15.676 2.132 1.00 0.00 C ATOM 1305 CD ARG A 83 1.239 -15.972 2.663 1.00 0.00 C ATOM 1306 NE ARG A 83 0.210 -15.952 1.614 1.00 0.00 N ATOM 1307 CZ ARG A 83 -1.097 -15.818 1.844 1.00 0.00 C ATOM 1308 NH1 ARG A 83 -1.556 -15.668 3.084 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -1.931 -15.783 0.836 1.00 0.00 N ATOM 0 H ARG A 83 0.269 -13.502 1.239 1.00 0.00 H new ATOM 0 HA ARG A 83 2.517 -13.102 3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.146 -14.524 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.754 -14.224 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.963 -16.511 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.325 -15.607 2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.240 -16.949 3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.984 -15.239 3.428 1.00 0.00 H new ATOM 0 HE ARG A 83 0.516 -16.047 0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.906 -15.655 3.870 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.558 -15.566 3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.580 -15.858 -0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.932 -15.681 1.005 1.00 0.00 H new ATOM 1323 N CYS A 84 2.639 -10.719 1.960 1.00 0.00 N ATOM 1324 CA CYS A 84 3.183 -9.454 1.504 1.00 0.00 C ATOM 1325 C CYS A 84 4.632 -9.308 1.992 1.00 0.00 C ATOM 1326 O CYS A 84 5.098 -10.170 2.753 1.00 0.00 O ATOM 1327 CB CYS A 84 2.260 -8.314 1.957 1.00 0.00 C ATOM 1328 SG CYS A 84 2.803 -6.633 1.546 1.00 0.00 S ATOM 0 H CYS A 84 2.077 -10.641 2.807 1.00 0.00 H new ATOM 0 HA CYS A 84 3.222 -9.414 0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.276 -8.474 1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.139 -8.380 3.038 1.00 0.00 H new ATOM 0 HG CYS A 84 2.749 -5.887 2.610 1.00 0.00 H new ATOM 1334 N ALA A 85 5.334 -8.224 1.612 1.00 0.00 N ATOM 1335 CA ALA A 85 6.745 -8.157 1.856 1.00 0.00 C ATOM 1336 C ALA A 85 7.371 -6.776 1.651 1.00 0.00 C ATOM 1337 O ALA A 85 8.204 -6.361 2.453 1.00 0.00 O ATOM 1338 CB ALA A 85 7.437 -9.173 0.973 1.00 0.00 C ATOM 0 H ALA A 85 4.936 -7.409 1.145 1.00 0.00 H new ATOM 0 HA ALA A 85 6.886 -8.377 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.512 -9.134 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.067 -10.171 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.231 -8.947 -0.073 1.00 0.00 H new ATOM 1344 N GLU A 86 6.963 -6.025 0.633 1.00 0.00 N ATOM 1345 CA GLU A 86 7.750 -4.842 0.295 1.00 0.00 C ATOM 1346 C GLU A 86 6.906 -3.721 -0.244 1.00 0.00 C ATOM 1347 O GLU A 86 6.259 -3.863 -1.262 1.00 0.00 O ATOM 1348 CB GLU A 86 8.822 -5.253 -0.712 1.00 0.00 C ATOM 1349 CG GLU A 86 9.643 -4.133 -1.301 1.00 0.00 C ATOM 1350 CD GLU A 86 10.674 -4.664 -2.255 1.00 0.00 C ATOM 1351 OE1 GLU A 86 11.739 -5.113 -1.806 1.00 0.00 O ATOM 1352 OE2 GLU A 86 10.429 -4.667 -3.470 1.00 0.00 O ATOM 0 H GLU A 86 6.140 -6.198 0.056 1.00 0.00 H new ATOM 0 HA GLU A 86 8.211 -4.457 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.499 -5.955 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.338 -5.790 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.989 -3.432 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.134 -3.578 -0.501 1.00 0.00 H new ATOM 1359 N VAL A 87 6.959 -2.598 0.405 1.00 0.00 N ATOM 1360 CA VAL A 87 6.171 -1.454 0.022 1.00 0.00 C ATOM 1361 C VAL A 87 7.054 -0.276 -0.344 1.00 0.00 C ATOM 1362 O VAL A 87 7.980 0.076 0.393 1.00 0.00 O ATOM 1363 CB VAL A 87 5.182 -1.062 1.141 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.168 -2.155 1.315 1.00 0.00 C ATOM 1365 CG2 VAL A 87 5.903 -0.822 2.470 1.00 0.00 C ATOM 0 H VAL A 87 7.552 -2.443 1.221 1.00 0.00 H new ATOM 0 HA VAL A 87 5.596 -1.733 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 87 4.691 -0.133 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.469 -1.880 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.623 -2.298 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.675 -3.082 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.176 -0.548 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.422 -1.732 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.626 -0.015 2.351 1.00 0.00 H new ATOM 1375 N THR A 88 6.811 0.308 -1.481 1.00 0.00 N ATOM 1376 CA THR A 88 7.563 1.439 -1.884 1.00 0.00 C ATOM 1377 C THR A 88 6.730 2.693 -2.007 1.00 0.00 C ATOM 1378 O THR A 88 5.688 2.738 -2.750 1.00 0.00 O ATOM 1379 CB THR A 88 8.431 1.201 -3.146 1.00 0.00 C ATOM 1380 OG1 THR A 88 7.701 0.482 -4.147 1.00 0.00 O ATOM 1381 CG2 THR A 88 9.713 0.468 -2.803 1.00 0.00 C ATOM 0 H THR A 88 6.093 0.011 -2.142 1.00 0.00 H new ATOM 0 HA THR A 88 8.263 1.602 -1.065 1.00 0.00 H new ATOM 0 HB THR A 88 8.694 2.179 -3.548 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.881 0.116 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.299 0.317 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.291 1.058 -2.092 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.472 -0.499 -2.361 1.00 0.00 H new ATOM 1389 N LEU A 89 7.154 3.664 -1.199 1.00 0.00 N ATOM 1390 CA LEU A 89 6.684 5.020 -1.194 1.00 0.00 C ATOM 1391 C LEU A 89 7.391 5.780 -2.381 1.00 0.00 C ATOM 1392 O LEU A 89 8.463 6.328 -2.286 1.00 0.00 O ATOM 1393 CB LEU A 89 6.750 5.637 0.339 1.00 0.00 C ATOM 1394 CG LEU A 89 6.848 7.165 0.682 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.559 7.875 0.455 1.00 0.00 C ATOM 1396 CD2 LEU A 89 7.220 7.362 2.143 1.00 0.00 C ATOM 0 H LEU A 89 7.875 3.501 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 89 5.623 5.137 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.860 5.270 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.609 5.165 0.817 1.00 0.00 H new ATOM 0 HG LEU A 89 7.612 7.576 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.675 8.929 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.271 7.781 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.786 7.435 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.283 8.428 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.459 6.906 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.184 6.894 2.339 1.00 0.00 H new