USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 551 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 Single : A 22 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.5) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0.0489 (180deg=0.0335) USER MOD Single : A 35 SER OG : rot 68:sc= 1.17 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 139:sc= 0.434 (180deg=0.00156) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -166:sc= -0.79 (180deg=-1.73) USER MOD Single : A 69 MET CE :methyl -110:sc= -0.838 (180deg=-1.71) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 210 N VAL A 17 2.493 9.648 0.132 1.00 0.00 N ATOM 211 CA VAL A 17 3.295 8.461 0.402 1.00 0.00 C ATOM 212 C VAL A 17 2.446 7.351 1.011 1.00 0.00 C ATOM 213 O VAL A 17 1.652 7.591 1.922 1.00 0.00 O ATOM 214 CB VAL A 17 4.465 8.779 1.352 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.374 7.569 1.504 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.246 9.983 0.851 1.00 0.00 C ATOM 0 HA VAL A 17 3.695 8.124 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 17 4.057 9.022 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.195 7.813 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.804 6.735 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.776 7.291 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.069 10.193 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.644 9.771 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.586 10.849 0.800 1.00 0.00 H new ATOM 226 N LEU A 18 2.620 6.136 0.505 1.00 0.00 N ATOM 227 CA LEU A 18 1.869 4.986 0.999 1.00 0.00 C ATOM 228 C LEU A 18 2.734 4.126 1.915 1.00 0.00 C ATOM 229 O LEU A 18 3.917 3.914 1.651 1.00 0.00 O ATOM 230 CB LEU A 18 1.352 4.148 -0.170 1.00 0.00 C ATOM 231 CG LEU A 18 0.637 4.915 -1.283 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.403 4.016 -2.487 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.681 5.484 -0.776 1.00 0.00 C ATOM 0 H LEU A 18 3.274 5.921 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 18 1.020 5.356 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.195 3.614 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.668 3.396 0.223 1.00 0.00 H new ATOM 0 HG LEU A 18 1.273 5.744 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.107 4.580 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.360 3.657 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.213 3.166 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.177 6.027 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.323 4.670 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.489 6.163 0.055 1.00 0.00 H new ATOM 245 N PHE A 19 2.134 3.629 2.992 1.00 0.00 N ATOM 246 CA PHE A 19 2.848 2.790 3.946 1.00 0.00 C ATOM 247 C PHE A 19 2.402 1.334 3.831 1.00 0.00 C ATOM 248 O PHE A 19 1.375 0.943 4.385 1.00 0.00 O ATOM 249 CB PHE A 19 2.619 3.293 5.373 1.00 0.00 C ATOM 250 CG PHE A 19 3.591 2.732 6.371 1.00 0.00 C ATOM 251 CD1 PHE A 19 4.946 2.999 6.262 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.150 1.938 7.417 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.843 2.482 7.179 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.042 1.420 8.336 1.00 0.00 C ATOM 255 CZ PHE A 19 5.391 1.693 8.218 1.00 0.00 C ATOM 0 H PHE A 19 1.155 3.793 3.225 1.00 0.00 H new ATOM 0 HA PHE A 19 3.912 2.846 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.689 4.381 5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.606 3.037 5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.306 3.617 5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.097 1.721 7.515 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.897 2.695 7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.685 0.802 9.146 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.090 1.291 8.936 1.00 0.00 H new ATOM 265 N VAL A 20 3.183 0.539 3.107 1.00 0.00 N ATOM 266 CA VAL A 20 2.870 -0.872 2.919 1.00 0.00 C ATOM 267 C VAL A 20 3.535 -1.731 3.990 1.00 0.00 C ATOM 268 O VAL A 20 4.757 -1.879 4.009 1.00 0.00 O ATOM 269 CB VAL A 20 3.318 -1.366 1.530 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.814 -2.780 1.278 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.831 -0.417 0.446 1.00 0.00 C ATOM 0 H VAL A 20 4.036 0.848 2.641 1.00 0.00 H new ATOM 0 HA VAL A 20 1.787 -0.969 3.000 1.00 0.00 H new ATOM 0 HB VAL A 20 4.408 -1.384 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.140 -3.112 0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.216 -3.450 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.725 -2.792 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.156 -0.781 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.742 -0.366 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.245 0.576 0.619 1.00 0.00 H new ATOM 281 N ARG A 21 2.722 -2.295 4.877 1.00 0.00 N ATOM 282 CA ARG A 21 3.232 -3.137 5.952 1.00 0.00 C ATOM 283 C ARG A 21 2.999 -4.614 5.642 1.00 0.00 C ATOM 284 O ARG A 21 2.308 -4.954 4.683 1.00 0.00 O ATOM 285 CB ARG A 21 2.562 -2.771 7.277 1.00 0.00 C ATOM 286 CG ARG A 21 3.545 -2.542 8.414 1.00 0.00 C ATOM 287 CD ARG A 21 2.828 -2.355 9.741 1.00 0.00 C ATOM 288 NE ARG A 21 3.636 -1.606 10.700 1.00 0.00 N ATOM 289 CZ ARG A 21 3.235 -1.315 11.932 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.041 -1.709 12.354 1.00 0.00 N ATOM 291 NH2 ARG A 21 4.028 -0.630 12.746 1.00 0.00 N ATOM 0 H ARG A 21 1.708 -2.184 4.872 1.00 0.00 H new ATOM 0 HA ARG A 21 4.305 -2.966 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.966 -1.869 7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.873 -3.568 7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.226 -3.390 8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.152 -1.662 8.200 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.887 -1.832 9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.580 -3.330 10.160 1.00 0.00 H new ATOM 0 HE ARG A 21 4.560 -1.289 10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.429 -2.237 11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.735 -1.484 13.301 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.947 -0.326 12.426 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.718 -0.407 13.692 1.00 0.00 H new ATOM 305 N ASN A 22 3.580 -5.484 6.461 1.00 0.00 N ATOM 306 CA ASN A 22 3.437 -6.923 6.274 1.00 0.00 C ATOM 307 C ASN A 22 3.841 -7.331 4.860 1.00 0.00 C ATOM 308 O ASN A 22 2.991 -7.649 4.027 1.00 0.00 O ATOM 309 CB ASN A 22 1.994 -7.353 6.548 1.00 0.00 C ATOM 310 CG ASN A 22 1.504 -6.896 7.909 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.287 -6.435 8.740 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.203 -7.024 8.142 1.00 0.00 N ATOM 0 H ASN A 22 4.154 -5.218 7.261 1.00 0.00 H new ATOM 0 HA ASN A 22 4.099 -7.423 6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.343 -6.945 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.923 -8.439 6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.185 -6.735 9.040 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.408 -7.412 7.423 1.00 0.00 H new ATOM 319 N LEU A 23 5.143 -7.320 4.596 1.00 0.00 N ATOM 320 CA LEU A 23 5.660 -7.689 3.283 1.00 0.00 C ATOM 321 C LEU A 23 6.281 -9.081 3.315 1.00 0.00 C ATOM 322 O LEU A 23 6.333 -9.725 4.362 1.00 0.00 O ATOM 323 CB LEU A 23 6.697 -6.665 2.816 1.00 0.00 C ATOM 324 CG LEU A 23 6.149 -5.441 2.083 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.058 -4.771 2.904 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.269 -4.457 1.777 1.00 0.00 C ATOM 0 H LEU A 23 5.860 -7.060 5.274 1.00 0.00 H new ATOM 0 HA LEU A 23 4.827 -7.699 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.257 -6.322 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.406 -7.169 2.159 1.00 0.00 H new ATOM 0 HG LEU A 23 5.714 -5.771 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.680 -3.902 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.244 -5.476 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.467 -4.454 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.861 -3.592 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.733 -4.133 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.016 -4.941 1.148 1.00 0.00 H new ATOM 338 N ALA A 24 6.754 -9.540 2.160 1.00 0.00 N ATOM 339 CA ALA A 24 7.375 -10.854 2.057 1.00 0.00 C ATOM 340 C ALA A 24 8.896 -10.746 2.089 1.00 0.00 C ATOM 341 O ALA A 24 9.470 -9.766 1.610 1.00 0.00 O ATOM 342 CB ALA A 24 6.921 -11.553 0.785 1.00 0.00 C ATOM 0 H ALA A 24 6.718 -9.020 1.283 1.00 0.00 H new ATOM 0 HA ALA A 24 7.061 -11.446 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.393 -12.534 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.838 -11.672 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.207 -10.955 -0.081 1.00 0.00 H new ATOM 348 N THR A 25 9.544 -11.757 2.656 1.00 0.00 N ATOM 349 CA THR A 25 10.999 -11.776 2.752 1.00 0.00 C ATOM 350 C THR A 25 11.628 -12.327 1.478 1.00 0.00 C ATOM 351 O THR A 25 12.777 -12.022 1.157 1.00 0.00 O ATOM 352 CB THR A 25 11.473 -12.619 3.951 1.00 0.00 C ATOM 353 OG1 THR A 25 10.489 -12.588 4.991 1.00 0.00 O ATOM 354 CG2 THR A 25 12.800 -12.103 4.486 1.00 0.00 C ATOM 0 H THR A 25 9.085 -12.575 3.057 1.00 0.00 H new ATOM 0 HA THR A 25 11.319 -10.744 2.894 1.00 0.00 H new ATOM 0 HB THR A 25 11.611 -13.646 3.612 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.797 -13.128 5.749 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.114 -12.714 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.554 -12.156 3.701 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.684 -11.068 4.809 1.00 0.00 H new ATOM 362 N THR A 26 10.867 -13.140 0.752 1.00 0.00 N ATOM 363 CA THR A 26 11.350 -13.734 -0.488 1.00 0.00 C ATOM 364 C THR A 26 11.300 -12.732 -1.635 1.00 0.00 C ATOM 365 O THR A 26 12.107 -12.792 -2.562 1.00 0.00 O ATOM 366 CB THR A 26 10.527 -14.979 -0.872 1.00 0.00 C ATOM 367 OG1 THR A 26 9.197 -14.593 -1.237 1.00 0.00 O ATOM 368 CG2 THR A 26 10.475 -15.971 0.280 1.00 0.00 C ATOM 0 H THR A 26 9.913 -13.402 1.002 1.00 0.00 H new ATOM 0 HA THR A 26 12.384 -14.030 -0.314 1.00 0.00 H new ATOM 0 HB THR A 26 11.012 -15.460 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.681 -15.389 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.889 -16.841 -0.015 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.487 -16.285 0.536 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.012 -15.499 1.146 1.00 0.00 H new ATOM 376 N VAL A 27 10.345 -11.808 -1.566 1.00 0.00 N ATOM 377 CA VAL A 27 10.191 -10.789 -2.597 1.00 0.00 C ATOM 378 C VAL A 27 11.340 -9.789 -2.558 1.00 0.00 C ATOM 379 O VAL A 27 12.054 -9.684 -1.559 1.00 0.00 O ATOM 380 CB VAL A 27 8.859 -10.032 -2.443 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.688 -11.003 -2.452 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.863 -9.202 -1.169 1.00 0.00 C ATOM 0 H VAL A 27 9.667 -11.745 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 27 10.197 -11.306 -3.556 1.00 0.00 H new ATOM 0 HB VAL A 27 8.746 -9.356 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.755 -10.449 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.676 -11.550 -3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.792 -11.706 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.914 -8.674 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.999 -9.857 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.678 -8.480 -1.208 1.00 0.00 H new ATOM 392 N THR A 28 11.513 -9.051 -3.650 1.00 0.00 N ATOM 393 CA THR A 28 12.576 -8.058 -3.741 1.00 0.00 C ATOM 394 C THR A 28 12.033 -6.715 -4.214 1.00 0.00 C ATOM 395 O THR A 28 10.914 -6.630 -4.717 1.00 0.00 O ATOM 396 CB THR A 28 13.691 -8.514 -4.701 1.00 0.00 C ATOM 397 OG1 THR A 28 14.733 -7.534 -4.744 1.00 0.00 O ATOM 398 CG2 THR A 28 13.141 -8.739 -6.102 1.00 0.00 C ATOM 0 H THR A 28 10.930 -9.122 -4.484 1.00 0.00 H new ATOM 0 HA THR A 28 12.992 -7.948 -2.740 1.00 0.00 H new ATOM 0 HB THR A 28 14.095 -9.456 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.438 -7.833 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.947 -9.060 -6.762 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.369 -9.508 -6.071 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.713 -7.810 -6.478 1.00 0.00 H new ATOM 406 N GLU A 29 12.835 -5.667 -4.049 1.00 0.00 N ATOM 407 CA GLU A 29 12.433 -4.326 -4.460 1.00 0.00 C ATOM 408 C GLU A 29 12.050 -4.302 -5.937 1.00 0.00 C ATOM 409 O GLU A 29 11.261 -3.462 -6.370 1.00 0.00 O ATOM 410 CB GLU A 29 13.563 -3.328 -4.198 1.00 0.00 C ATOM 411 CG GLU A 29 13.519 -2.710 -2.811 1.00 0.00 C ATOM 412 CD GLU A 29 14.878 -2.221 -2.348 1.00 0.00 C ATOM 413 OE1 GLU A 29 15.727 -3.069 -2.003 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.091 -0.990 -2.329 1.00 0.00 O ATOM 0 H GLU A 29 13.765 -5.720 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 29 11.561 -4.039 -3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.520 -3.832 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.515 -2.533 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.817 -1.876 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.140 -3.445 -2.101 1.00 0.00 H new ATOM 421 N GLU A 30 12.615 -5.228 -6.705 1.00 0.00 N ATOM 422 CA GLU A 30 12.333 -5.312 -8.132 1.00 0.00 C ATOM 423 C GLU A 30 10.891 -5.745 -8.379 1.00 0.00 C ATOM 424 O GLU A 30 10.253 -5.302 -9.335 1.00 0.00 O ATOM 425 CB GLU A 30 13.295 -6.292 -8.809 1.00 0.00 C ATOM 426 CG GLU A 30 13.932 -5.745 -10.074 1.00 0.00 C ATOM 427 CD GLU A 30 13.690 -6.631 -11.281 1.00 0.00 C ATOM 428 OE1 GLU A 30 14.108 -7.808 -11.246 1.00 0.00 O ATOM 429 OE2 GLU A 30 13.081 -6.149 -12.258 1.00 0.00 O ATOM 0 H GLU A 30 13.271 -5.930 -6.362 1.00 0.00 H new ATOM 0 HA GLU A 30 12.474 -4.320 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.081 -6.561 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.756 -7.208 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.536 -4.749 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.005 -5.636 -9.918 1.00 0.00 H new ATOM 436 N ILE A 31 10.385 -6.615 -7.511 1.00 0.00 N ATOM 437 CA ILE A 31 9.019 -7.108 -7.633 1.00 0.00 C ATOM 438 C ILE A 31 8.016 -6.085 -7.110 1.00 0.00 C ATOM 439 O ILE A 31 7.050 -5.742 -7.793 1.00 0.00 O ATOM 440 CB ILE A 31 8.828 -8.433 -6.872 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.799 -9.492 -7.397 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.391 -8.914 -6.998 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.963 -10.674 -6.468 1.00 0.00 C ATOM 0 H ILE A 31 10.901 -6.993 -6.716 1.00 0.00 H new ATOM 0 HA ILE A 31 8.840 -7.279 -8.694 1.00 0.00 H new ATOM 0 HB ILE A 31 9.042 -8.263 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.447 -9.847 -8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.773 -9.031 -7.561 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.272 -9.851 -6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.719 -8.165 -6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.151 -9.071 -8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.665 -11.385 -6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.344 -10.331 -5.506 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.998 -11.160 -6.323 1.00 0.00 H new ATOM 455 N LEU A 32 8.253 -5.600 -5.897 1.00 0.00 N ATOM 456 CA LEU A 32 7.370 -4.614 -5.281 1.00 0.00 C ATOM 457 C LEU A 32 7.189 -3.404 -6.191 1.00 0.00 C ATOM 458 O LEU A 32 6.163 -2.725 -6.139 1.00 0.00 O ATOM 459 CB LEU A 32 7.933 -4.171 -3.930 1.00 0.00 C ATOM 460 CG LEU A 32 7.640 -5.092 -2.745 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.734 -4.979 -1.697 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.282 -4.766 -2.139 1.00 0.00 C ATOM 0 H LEU A 32 9.049 -5.873 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 32 6.396 -5.079 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.014 -4.068 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.538 -3.181 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 32 7.617 -6.120 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.508 -5.642 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.690 -5.263 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.790 -3.951 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.090 -5.431 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.277 -3.732 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.506 -4.901 -2.892 1.00 0.00 H new ATOM 474 N GLU A 33 8.190 -3.141 -7.026 1.00 0.00 N ATOM 475 CA GLU A 33 8.138 -2.013 -7.948 1.00 0.00 C ATOM 476 C GLU A 33 7.084 -2.240 -9.027 1.00 0.00 C ATOM 477 O GLU A 33 6.090 -1.517 -9.103 1.00 0.00 O ATOM 478 CB GLU A 33 9.507 -1.792 -8.596 1.00 0.00 C ATOM 479 CG GLU A 33 10.170 -0.487 -8.189 1.00 0.00 C ATOM 480 CD GLU A 33 11.433 -0.203 -8.978 1.00 0.00 C ATOM 481 OE1 GLU A 33 11.825 -1.060 -9.797 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.028 0.877 -8.779 1.00 0.00 O ATOM 0 H GLU A 33 9.046 -3.693 -7.083 1.00 0.00 H new ATOM 0 HA GLU A 33 7.865 -1.124 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.163 -2.621 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.393 -1.809 -9.680 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.466 0.333 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.410 -0.522 -7.126 1.00 0.00 H new ATOM 489 N LYS A 34 7.308 -3.250 -9.861 1.00 0.00 N ATOM 490 CA LYS A 34 6.378 -3.575 -10.937 1.00 0.00 C ATOM 491 C LYS A 34 4.957 -3.725 -10.402 1.00 0.00 C ATOM 492 O LYS A 34 3.987 -3.453 -11.108 1.00 0.00 O ATOM 493 CB LYS A 34 6.808 -4.864 -11.639 1.00 0.00 C ATOM 494 CG LYS A 34 7.580 -4.629 -12.926 1.00 0.00 C ATOM 495 CD LYS A 34 9.046 -4.997 -12.773 1.00 0.00 C ATOM 496 CE LYS A 34 9.743 -5.087 -14.122 1.00 0.00 C ATOM 497 NZ LYS A 34 10.475 -6.374 -14.283 1.00 0.00 N ATOM 0 H LYS A 34 8.126 -3.858 -9.813 1.00 0.00 H new ATOM 0 HA LYS A 34 6.393 -2.755 -11.655 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.425 -5.450 -10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.922 -5.460 -11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.138 -5.219 -13.729 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.495 -3.582 -13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.546 -4.253 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.130 -5.952 -12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.006 -4.986 -14.919 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.441 -4.256 -14.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.748 -6.496 -15.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.328 -6.365 -13.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.860 -7.162 -13.994 1.00 0.00 H new ATOM 511 N SER A 35 4.844 -4.157 -9.150 1.00 0.00 N ATOM 512 CA SER A 35 3.542 -4.344 -8.521 1.00 0.00 C ATOM 513 C SER A 35 2.699 -3.077 -8.628 1.00 0.00 C ATOM 514 O SER A 35 1.614 -3.087 -9.209 1.00 0.00 O ATOM 515 CB SER A 35 3.714 -4.734 -7.051 1.00 0.00 C ATOM 516 OG SER A 35 4.416 -5.959 -6.927 1.00 0.00 O ATOM 0 H SER A 35 5.638 -4.384 -8.552 1.00 0.00 H new ATOM 0 HA SER A 35 3.025 -5.148 -9.045 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.253 -3.947 -6.523 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.736 -4.822 -6.578 1.00 0.00 H new ATOM 0 HG SER A 35 5.345 -5.834 -7.213 1.00 0.00 H new ATOM 522 N PHE A 36 3.208 -1.987 -8.064 1.00 0.00 N ATOM 523 CA PHE A 36 2.502 -0.711 -8.094 1.00 0.00 C ATOM 524 C PHE A 36 2.708 -0.007 -9.432 1.00 0.00 C ATOM 525 O PHE A 36 1.874 0.791 -9.860 1.00 0.00 O ATOM 526 CB PHE A 36 2.983 0.188 -6.953 1.00 0.00 C ATOM 527 CG PHE A 36 2.652 -0.345 -5.589 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.421 -0.086 -5.008 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.574 -1.106 -4.887 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.116 -0.576 -3.753 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.273 -1.599 -3.630 1.00 0.00 C ATOM 532 CZ PHE A 36 2.043 -1.335 -3.063 1.00 0.00 C ATOM 0 H PHE A 36 4.106 -1.961 -7.581 1.00 0.00 H new ATOM 0 HA PHE A 36 1.438 -0.909 -7.968 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.063 0.315 -7.032 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.536 1.176 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.692 0.505 -5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.538 -1.316 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.153 -0.366 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.000 -2.190 -3.093 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.805 -1.720 -2.083 1.00 0.00 H new ATOM 542 N SER A 37 3.824 -0.310 -10.088 1.00 0.00 N ATOM 543 CA SER A 37 4.142 0.296 -11.375 1.00 0.00 C ATOM 544 C SER A 37 3.003 0.090 -12.369 1.00 0.00 C ATOM 545 O SER A 37 2.815 0.887 -13.287 1.00 0.00 O ATOM 546 CB SER A 37 5.436 -0.297 -11.936 1.00 0.00 C ATOM 547 OG SER A 37 6.009 0.558 -12.910 1.00 0.00 O ATOM 0 H SER A 37 4.523 -0.971 -9.749 1.00 0.00 H new ATOM 0 HA SER A 37 4.278 1.366 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.147 -0.458 -11.126 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.231 -1.272 -12.379 1.00 0.00 H new ATOM 0 HG SER A 37 6.835 0.157 -13.252 1.00 0.00 H new ATOM 553 N GLU A 38 2.246 -0.986 -12.177 1.00 0.00 N ATOM 554 CA GLU A 38 1.126 -1.298 -13.056 1.00 0.00 C ATOM 555 C GLU A 38 0.053 -0.215 -12.976 1.00 0.00 C ATOM 556 O GLU A 38 -0.697 0.003 -13.928 1.00 0.00 O ATOM 557 CB GLU A 38 0.524 -2.656 -12.691 1.00 0.00 C ATOM 558 CG GLU A 38 1.522 -3.800 -12.748 1.00 0.00 C ATOM 559 CD GLU A 38 1.021 -4.971 -13.570 1.00 0.00 C ATOM 560 OE1 GLU A 38 -0.167 -5.332 -13.424 1.00 0.00 O ATOM 561 OE2 GLU A 38 1.814 -5.527 -14.357 1.00 0.00 O ATOM 0 H GLU A 38 2.388 -1.656 -11.421 1.00 0.00 H new ATOM 0 HA GLU A 38 1.501 -1.339 -14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.106 -2.600 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.302 -2.872 -13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.459 -3.439 -13.171 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.739 -4.139 -11.735 1.00 0.00 H new ATOM 568 N PHE A 39 -0.014 0.459 -11.833 1.00 0.00 N ATOM 569 CA PHE A 39 -0.995 1.518 -11.627 1.00 0.00 C ATOM 570 C PHE A 39 -0.498 2.841 -12.203 1.00 0.00 C ATOM 571 O PHE A 39 -1.201 3.502 -12.966 1.00 0.00 O ATOM 572 CB PHE A 39 -1.296 1.680 -10.135 1.00 0.00 C ATOM 573 CG PHE A 39 -2.078 0.537 -9.554 1.00 0.00 C ATOM 574 CD1 PHE A 39 -1.486 -0.705 -9.377 1.00 0.00 C ATOM 575 CD2 PHE A 39 -3.402 0.702 -9.185 1.00 0.00 C ATOM 576 CE1 PHE A 39 -2.203 -1.759 -8.843 1.00 0.00 C ATOM 577 CE2 PHE A 39 -4.124 -0.348 -8.650 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.524 -1.581 -8.478 1.00 0.00 C ATOM 0 H PHE A 39 0.599 0.291 -11.035 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.910 1.237 -12.148 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.356 1.780 -9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.852 2.605 -9.983 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.454 -0.850 -9.660 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.877 1.663 -9.317 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.731 -2.721 -8.711 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.156 -0.205 -8.367 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.086 -2.403 -8.060 1.00 0.00 H new ATOM 588 N GLY A 40 0.721 3.221 -11.831 1.00 0.00 N ATOM 589 CA GLY A 40 1.293 4.462 -12.319 1.00 0.00 C ATOM 590 C GLY A 40 2.806 4.474 -12.241 1.00 0.00 C ATOM 591 O GLY A 40 3.407 3.651 -11.549 1.00 0.00 O ATOM 0 H GLY A 40 1.322 2.691 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.985 4.619 -13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.896 5.294 -11.738 1.00 0.00 H new ATOM 595 N LYS A 41 3.427 5.408 -12.955 1.00 0.00 N ATOM 596 CA LYS A 41 4.880 5.524 -12.965 1.00 0.00 C ATOM 597 C LYS A 41 5.413 5.809 -11.564 1.00 0.00 C ATOM 598 O LYS A 41 5.397 6.951 -11.104 1.00 0.00 O ATOM 599 CB LYS A 41 5.316 6.633 -13.924 1.00 0.00 C ATOM 600 CG LYS A 41 5.892 6.116 -15.231 1.00 0.00 C ATOM 601 CD LYS A 41 7.332 5.659 -15.064 1.00 0.00 C ATOM 602 CE LYS A 41 7.695 4.579 -16.072 1.00 0.00 C ATOM 603 NZ LYS A 41 8.076 5.158 -17.390 1.00 0.00 N ATOM 0 H LYS A 41 2.946 6.096 -13.534 1.00 0.00 H new ATOM 0 HA LYS A 41 5.293 4.575 -13.305 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.459 7.271 -14.141 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.061 7.257 -13.430 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.286 5.286 -15.594 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.844 6.900 -15.986 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.001 6.511 -15.185 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.479 5.279 -14.053 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.521 3.983 -15.684 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.849 3.904 -16.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.316 4.391 -18.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.279 5.706 -17.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.899 5.782 -17.270 1.00 0.00 H new ATOM 617 N LEU A 42 5.884 4.764 -10.892 1.00 0.00 N ATOM 618 CA LEU A 42 6.424 4.903 -9.544 1.00 0.00 C ATOM 619 C LEU A 42 7.540 5.943 -9.508 1.00 0.00 C ATOM 620 O LEU A 42 7.931 6.482 -10.542 1.00 0.00 O ATOM 621 CB LEU A 42 6.949 3.556 -9.042 1.00 0.00 C ATOM 622 CG LEU A 42 5.898 2.470 -8.813 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.543 1.216 -8.243 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.801 2.976 -7.887 1.00 0.00 C ATOM 0 H LEU A 42 5.903 3.812 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 42 5.619 5.239 -8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.678 3.182 -9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.481 3.722 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 42 5.448 2.218 -9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.780 0.453 -8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.292 0.842 -8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.020 1.452 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.062 2.190 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.235 3.256 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.319 3.845 -8.335 1.00 0.00 H new ATOM 636 N GLU A 43 8.050 6.215 -8.311 1.00 0.00 N ATOM 637 CA GLU A 43 9.123 7.188 -8.142 1.00 0.00 C ATOM 638 C GLU A 43 10.370 6.528 -7.563 1.00 0.00 C ATOM 639 O GLU A 43 11.480 6.737 -8.053 1.00 0.00 O ATOM 640 CB GLU A 43 8.666 8.329 -7.230 1.00 0.00 C ATOM 641 CG GLU A 43 8.857 9.709 -7.839 1.00 0.00 C ATOM 642 CD GLU A 43 8.878 10.809 -6.797 1.00 0.00 C ATOM 643 OE1 GLU A 43 7.969 10.831 -5.940 1.00 0.00 O ATOM 644 OE2 GLU A 43 9.802 11.648 -6.837 1.00 0.00 O ATOM 0 H GLU A 43 7.738 5.776 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 43 9.370 7.593 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.612 8.190 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.218 8.276 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.791 9.728 -8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.054 9.903 -8.550 1.00 0.00 H new ATOM 651 N ARG A 44 10.179 5.731 -6.517 1.00 0.00 N ATOM 652 CA ARG A 44 11.288 5.040 -5.869 1.00 0.00 C ATOM 653 C ARG A 44 10.792 4.181 -4.711 1.00 0.00 C ATOM 654 O ARG A 44 9.939 4.604 -3.930 1.00 0.00 O ATOM 655 CB ARG A 44 12.320 6.051 -5.363 1.00 0.00 C ATOM 656 CG ARG A 44 13.758 5.621 -5.596 1.00 0.00 C ATOM 657 CD ARG A 44 14.455 6.525 -6.601 1.00 0.00 C ATOM 658 NE ARG A 44 14.521 7.909 -6.139 1.00 0.00 N ATOM 659 CZ ARG A 44 15.350 8.326 -5.189 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.178 7.472 -4.603 1.00 0.00 N ATOM 661 NH2 ARG A 44 15.353 9.602 -4.823 1.00 0.00 N ATOM 0 H ARG A 44 9.266 5.548 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 44 11.758 4.388 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.151 7.008 -5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.166 6.212 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.302 5.638 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.777 4.592 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.464 6.155 -6.782 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.925 6.485 -7.553 1.00 0.00 H new ATOM 0 HE ARG A 44 13.897 8.592 -6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.180 6.491 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.813 7.796 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.718 10.263 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.990 9.922 -4.093 1.00 0.00 H new ATOM 675 N VAL A 45 11.331 2.970 -4.606 1.00 0.00 N ATOM 676 CA VAL A 45 10.944 2.050 -3.543 1.00 0.00 C ATOM 677 C VAL A 45 12.143 1.662 -2.687 1.00 0.00 C ATOM 678 O VAL A 45 13.273 1.601 -3.173 1.00 0.00 O ATOM 679 CB VAL A 45 10.299 0.773 -4.114 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.747 -0.094 -2.992 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.206 1.127 -5.111 1.00 0.00 C ATOM 0 H VAL A 45 12.037 2.603 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 45 10.214 2.571 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 45 11.066 0.203 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.295 -0.992 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.556 -0.377 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.993 0.465 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.762 0.212 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.438 1.719 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.634 1.704 -5.931 1.00 0.00 H new ATOM 691 N LYS A 46 11.892 1.401 -1.409 1.00 0.00 N ATOM 692 CA LYS A 46 12.950 1.016 -0.483 1.00 0.00 C ATOM 693 C LYS A 46 12.449 -0.018 0.519 1.00 0.00 C ATOM 694 O LYS A 46 11.346 0.102 1.052 1.00 0.00 O ATOM 695 CB LYS A 46 13.478 2.246 0.259 1.00 0.00 C ATOM 696 CG LYS A 46 14.957 2.165 0.599 1.00 0.00 C ATOM 697 CD LYS A 46 15.815 2.124 -0.655 1.00 0.00 C ATOM 698 CE LYS A 46 16.741 3.328 -0.734 1.00 0.00 C ATOM 699 NZ LYS A 46 17.935 3.054 -1.581 1.00 0.00 N ATOM 0 H LYS A 46 10.963 1.449 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 46 13.760 0.571 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.303 3.131 -0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.909 2.376 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.239 3.025 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.145 1.275 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.406 1.208 -0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.173 2.098 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.195 4.180 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.063 3.605 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.541 3.898 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.470 2.257 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.629 2.815 -2.546 1.00 0.00 H new ATOM 713 N LYS A 47 13.266 -1.036 0.770 1.00 0.00 N ATOM 714 CA LYS A 47 12.907 -2.092 1.710 1.00 0.00 C ATOM 715 C LYS A 47 13.345 -1.732 3.126 1.00 0.00 C ATOM 716 O LYS A 47 14.517 -1.875 3.480 1.00 0.00 O ATOM 717 CB LYS A 47 13.546 -3.416 1.288 1.00 0.00 C ATOM 718 CG LYS A 47 12.715 -4.635 1.653 1.00 0.00 C ATOM 719 CD LYS A 47 12.797 -5.707 0.579 1.00 0.00 C ATOM 720 CE LYS A 47 11.858 -6.866 0.876 1.00 0.00 C ATOM 721 NZ LYS A 47 12.594 -8.153 1.015 1.00 0.00 N ATOM 0 H LYS A 47 14.181 -1.152 0.335 1.00 0.00 H new ATOM 0 HA LYS A 47 11.822 -2.200 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.706 -3.405 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.527 -3.502 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.062 -5.042 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.676 -4.339 1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.547 -5.273 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.820 -6.075 0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.307 -6.661 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.123 -6.952 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.195 -8.698 1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.503 -8.702 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.599 -7.960 1.200 1.00 0.00 H new ATOM 735 N LEU A 48 12.399 -1.264 3.933 1.00 0.00 N ATOM 736 CA LEU A 48 12.688 -0.885 5.312 1.00 0.00 C ATOM 737 C LEU A 48 11.771 -1.623 6.282 1.00 0.00 C ATOM 738 O LEU A 48 10.568 -1.362 6.337 1.00 0.00 O ATOM 739 CB LEU A 48 12.529 0.626 5.490 1.00 0.00 C ATOM 740 CG LEU A 48 13.697 1.485 5.006 1.00 0.00 C ATOM 741 CD1 LEU A 48 14.979 1.100 5.730 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.872 1.349 3.500 1.00 0.00 C ATOM 0 H LEU A 48 11.425 -1.138 3.656 1.00 0.00 H new ATOM 0 HA LEU A 48 13.719 -1.164 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.629 0.941 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.366 0.832 6.548 1.00 0.00 H new ATOM 0 HG LEU A 48 13.474 2.528 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.800 1.722 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.851 1.250 6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.206 0.052 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.708 1.968 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.072 0.307 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.962 1.675 2.997 1.00 0.00 H new ATOM 754 N LYS A 49 12.346 -2.541 7.050 1.00 0.00 N ATOM 755 CA LYS A 49 11.583 -3.315 8.022 1.00 0.00 C ATOM 756 C LYS A 49 10.528 -4.171 7.328 1.00 0.00 C ATOM 757 O LYS A 49 10.594 -4.395 6.119 1.00 0.00 O ATOM 758 CB LYS A 49 10.912 -2.383 9.033 1.00 0.00 C ATOM 759 CG LYS A 49 11.017 -2.865 10.469 1.00 0.00 C ATOM 760 CD LYS A 49 12.162 -2.188 11.204 1.00 0.00 C ATOM 761 CE LYS A 49 12.880 -3.158 12.130 1.00 0.00 C ATOM 762 NZ LYS A 49 12.803 -2.725 13.553 1.00 0.00 N ATOM 0 H LYS A 49 13.340 -2.768 7.018 1.00 0.00 H new ATOM 0 HA LYS A 49 12.274 -3.974 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.363 -1.394 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.859 -2.274 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.081 -2.665 10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.164 -3.945 10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.870 -1.781 10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.778 -1.347 11.782 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.441 -4.150 12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.925 -3.240 11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.304 -3.412 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.245 -1.789 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.807 -2.672 13.846 1.00 0.00 H new ATOM 776 N ASP A 50 9.558 -4.647 8.101 1.00 0.00 N ATOM 777 CA ASP A 50 8.488 -5.478 7.560 1.00 0.00 C ATOM 778 C ASP A 50 7.680 -4.711 6.518 1.00 0.00 C ATOM 779 O ASP A 50 6.928 -5.303 5.741 1.00 0.00 O ATOM 780 CB ASP A 50 7.568 -5.959 8.684 1.00 0.00 C ATOM 781 CG ASP A 50 8.115 -7.180 9.397 1.00 0.00 C ATOM 782 OD1 ASP A 50 9.311 -7.488 9.213 1.00 0.00 O ATOM 783 OD2 ASP A 50 7.346 -7.829 10.136 1.00 0.00 O ATOM 0 H ASP A 50 9.490 -4.472 9.104 1.00 0.00 H new ATOM 0 HA ASP A 50 8.942 -6.344 7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.428 -5.153 9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.586 -6.192 8.272 1.00 0.00 H new ATOM 788 N TYR A 51 7.838 -3.393 6.506 1.00 0.00 N ATOM 789 CA TYR A 51 7.121 -2.544 5.561 1.00 0.00 C ATOM 790 C TYR A 51 8.055 -2.034 4.469 1.00 0.00 C ATOM 791 O TYR A 51 9.223 -2.416 4.408 1.00 0.00 O ATOM 792 CB TYR A 51 6.477 -1.364 6.291 1.00 0.00 C ATOM 793 CG TYR A 51 7.432 -0.616 7.193 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.279 0.361 6.683 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.487 -0.885 8.555 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.154 1.046 7.503 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.358 -0.203 9.383 1.00 0.00 C ATOM 798 CZ TYR A 51 9.189 0.761 8.853 1.00 0.00 C ATOM 799 OH TYR A 51 10.059 1.443 9.673 1.00 0.00 O ATOM 0 H TYR A 51 8.457 -2.888 7.140 1.00 0.00 H new ATOM 0 HA TYR A 51 6.340 -3.143 5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.068 -0.672 5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.639 -1.729 6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.252 0.588 5.628 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.838 -1.640 8.974 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.807 1.800 7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.388 -0.424 10.440 1.00 0.00 H new ATOM 0 HH TYR A 51 9.958 1.124 10.594 1.00 0.00 H new ATOM 809 N ALA A 52 7.531 -1.167 3.609 1.00 0.00 N ATOM 810 CA ALA A 52 8.317 -0.601 2.520 1.00 0.00 C ATOM 811 C ALA A 52 7.938 0.855 2.268 1.00 0.00 C ATOM 812 O ALA A 52 6.847 1.293 2.630 1.00 0.00 O ATOM 813 CB ALA A 52 8.134 -1.423 1.254 1.00 0.00 C ATOM 0 H ALA A 52 6.565 -0.841 3.646 1.00 0.00 H new ATOM 0 HA ALA A 52 9.367 -0.630 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.727 -0.988 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.462 -2.447 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.082 -1.424 0.970 1.00 0.00 H new ATOM 819 N PHE A 53 8.846 1.599 1.646 1.00 0.00 N ATOM 820 CA PHE A 53 8.607 3.006 1.347 1.00 0.00 C ATOM 821 C PHE A 53 8.635 3.254 -0.158 1.00 0.00 C ATOM 822 O PHE A 53 9.695 3.232 -0.784 1.00 0.00 O ATOM 823 CB PHE A 53 9.654 3.882 2.038 1.00 0.00 C ATOM 824 CG PHE A 53 9.392 4.085 3.504 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.149 4.509 3.945 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.388 3.851 4.437 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.906 4.698 5.293 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.151 4.038 5.786 1.00 0.00 C ATOM 829 CZ PHE A 53 8.907 4.462 6.214 1.00 0.00 C ATOM 0 H PHE A 53 9.754 1.251 1.339 1.00 0.00 H new ATOM 0 HA PHE A 53 7.618 3.268 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.637 3.428 1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.686 4.853 1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.362 4.694 3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.361 3.519 4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.934 5.030 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.936 3.853 6.504 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.718 4.608 7.267 1.00 0.00 H new ATOM 839 N VAL A 54 7.460 3.490 -0.735 1.00 0.00 N ATOM 840 CA VAL A 54 7.349 3.743 -2.167 1.00 0.00 C ATOM 841 C VAL A 54 6.846 5.157 -2.437 1.00 0.00 C ATOM 842 O VAL A 54 5.982 5.667 -1.723 1.00 0.00 O ATOM 843 CB VAL A 54 6.400 2.735 -2.842 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.374 2.952 -4.347 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.812 1.310 -2.507 1.00 0.00 C ATOM 0 H VAL A 54 6.572 3.511 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 54 8.348 3.629 -2.588 1.00 0.00 H new ATOM 0 HB VAL A 54 5.393 2.897 -2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.698 2.231 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.028 3.963 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.377 2.818 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.131 0.611 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.827 1.132 -2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.773 1.164 -1.427 1.00 0.00 H new ATOM 855 N HIS A 55 7.392 5.784 -3.473 1.00 0.00 N ATOM 856 CA HIS A 55 6.998 7.141 -3.839 1.00 0.00 C ATOM 857 C HIS A 55 6.269 7.152 -5.180 1.00 0.00 C ATOM 858 O HIS A 55 6.502 6.294 -6.032 1.00 0.00 O ATOM 859 CB HIS A 55 8.225 8.051 -3.906 1.00 0.00 C ATOM 860 CG HIS A 55 8.722 8.486 -2.563 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.508 9.749 -2.054 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.426 7.817 -1.620 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.060 9.839 -0.856 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.623 8.679 -0.570 1.00 0.00 N ATOM 0 H HIS A 55 8.108 5.376 -4.074 1.00 0.00 H new ATOM 0 HA HIS A 55 6.319 7.515 -3.072 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.026 7.529 -4.429 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.981 8.934 -4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.769 6.795 -1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.052 10.712 -0.220 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.123 8.459 0.291 1.00 0.00 H new ATOM 872 N PHE A 56 5.384 8.126 -5.358 1.00 0.00 N ATOM 873 CA PHE A 56 4.619 8.248 -6.594 1.00 0.00 C ATOM 874 C PHE A 56 4.798 9.632 -7.211 1.00 0.00 C ATOM 875 O PHE A 56 5.085 10.602 -6.510 1.00 0.00 O ATOM 876 CB PHE A 56 3.136 7.984 -6.328 1.00 0.00 C ATOM 877 CG PHE A 56 2.793 6.524 -6.239 1.00 0.00 C ATOM 878 CD1 PHE A 56 2.974 5.826 -5.057 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.289 5.850 -7.341 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.659 4.483 -4.973 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.972 4.506 -7.262 1.00 0.00 C ATOM 882 CZ PHE A 56 2.159 3.822 -6.077 1.00 0.00 C ATOM 0 H PHE A 56 5.178 8.843 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 56 4.993 7.505 -7.298 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.849 8.474 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.546 8.440 -7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.366 6.337 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.142 6.380 -8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.804 3.951 -4.044 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.579 3.992 -8.126 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.915 2.772 -6.014 1.00 0.00 H new ATOM 892 N GLU A 57 4.627 9.713 -8.527 1.00 0.00 N ATOM 893 CA GLU A 57 4.771 10.977 -9.239 1.00 0.00 C ATOM 894 C GLU A 57 3.858 12.044 -8.642 1.00 0.00 C ATOM 895 O GLU A 57 4.140 13.240 -8.735 1.00 0.00 O ATOM 896 CB GLU A 57 4.454 10.791 -10.724 1.00 0.00 C ATOM 897 CG GLU A 57 5.688 10.761 -11.610 1.00 0.00 C ATOM 898 CD GLU A 57 5.472 11.468 -12.934 1.00 0.00 C ATOM 899 OE1 GLU A 57 4.776 12.504 -12.947 1.00 0.00 O ATOM 900 OE2 GLU A 57 6.001 10.984 -13.958 1.00 0.00 O ATOM 0 H GLU A 57 4.389 8.919 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 57 5.804 11.308 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.900 9.861 -10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.801 11.600 -11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.520 11.229 -11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.971 9.725 -11.797 1.00 0.00 H new ATOM 907 N ASP A 58 2.763 11.604 -8.032 1.00 0.00 N ATOM 908 CA ASP A 58 1.808 12.520 -7.420 1.00 0.00 C ATOM 909 C ASP A 58 0.934 11.794 -6.402 1.00 0.00 C ATOM 910 O ASP A 58 1.198 10.644 -6.051 1.00 0.00 O ATOM 911 CB ASP A 58 0.932 13.169 -8.493 1.00 0.00 C ATOM 912 CG ASP A 58 0.806 14.668 -8.309 1.00 0.00 C ATOM 913 OD1 ASP A 58 1.795 15.298 -7.877 1.00 0.00 O ATOM 914 OD2 ASP A 58 -0.281 15.212 -8.595 1.00 0.00 O ATOM 0 H ASP A 58 2.515 10.618 -7.948 1.00 0.00 H new ATOM 0 HA ASP A 58 2.369 13.297 -6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.353 12.961 -9.477 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.060 12.718 -8.469 1.00 0.00 H new ATOM 919 N ARG A 59 -0.105 12.475 -5.930 1.00 0.00 N ATOM 920 CA ARG A 59 -1.016 11.895 -4.950 1.00 0.00 C ATOM 921 C ARG A 59 -2.067 11.024 -5.634 1.00 0.00 C ATOM 922 O ARG A 59 -2.483 9.999 -5.096 1.00 0.00 O ATOM 923 CB ARG A 59 -1.701 13.000 -4.143 1.00 0.00 C ATOM 924 CG ARG A 59 -2.736 12.482 -3.157 1.00 0.00 C ATOM 925 CD ARG A 59 -4.135 12.954 -3.519 1.00 0.00 C ATOM 926 NE ARG A 59 -4.850 11.975 -4.334 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.153 12.039 -4.585 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.879 13.030 -4.087 1.00 0.00 N ATOM 929 NH2 ARG A 59 -6.731 11.110 -5.335 1.00 0.00 N ATOM 0 H ARG A 59 -0.337 13.428 -6.210 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.433 11.269 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.943 13.564 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.183 13.695 -4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.711 11.392 -3.141 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.485 12.822 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.699 13.148 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.070 13.898 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.320 11.200 -4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.437 13.746 -3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.879 13.077 -4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.175 10.346 -5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.731 11.160 -5.527 1.00 0.00 H new ATOM 943 N GLY A 60 -2.492 11.442 -6.822 1.00 0.00 N ATOM 944 CA GLY A 60 -3.491 10.689 -7.560 1.00 0.00 C ATOM 945 C GLY A 60 -3.029 9.285 -7.894 1.00 0.00 C ATOM 946 O GLY A 60 -3.840 8.365 -7.997 1.00 0.00 O ATOM 0 H GLY A 60 -2.163 12.288 -7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.408 10.636 -6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.732 11.218 -8.482 1.00 0.00 H new ATOM 950 N ALA A 61 -1.721 9.119 -8.065 1.00 0.00 N ATOM 951 CA ALA A 61 -1.153 7.817 -8.389 1.00 0.00 C ATOM 952 C ALA A 61 -1.017 6.951 -7.141 1.00 0.00 C ATOM 953 O ALA A 61 -1.007 5.723 -7.224 1.00 0.00 O ATOM 954 CB ALA A 61 0.200 7.985 -9.066 1.00 0.00 C ATOM 0 H ALA A 61 -1.036 9.870 -7.984 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.832 7.313 -9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.613 7.004 -9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.078 8.559 -9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.879 8.513 -8.396 1.00 0.00 H new ATOM 960 N ALA A 62 -0.912 7.598 -5.985 1.00 0.00 N ATOM 961 CA ALA A 62 -0.778 6.887 -4.720 1.00 0.00 C ATOM 962 C ALA A 62 -2.139 6.441 -4.195 1.00 0.00 C ATOM 963 O ALA A 62 -2.317 5.286 -3.808 1.00 0.00 O ATOM 964 CB ALA A 62 -0.074 7.762 -3.694 1.00 0.00 C ATOM 0 H ALA A 62 -0.917 8.614 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.175 5.996 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.019 7.218 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.918 8.026 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.654 8.670 -3.531 1.00 0.00 H new ATOM 970 N VAL A 63 -3.094 7.364 -4.182 1.00 0.00 N ATOM 971 CA VAL A 63 -4.440 7.066 -3.706 1.00 0.00 C ATOM 972 C VAL A 63 -5.129 6.046 -4.604 1.00 0.00 C ATOM 973 O VAL A 63 -5.630 5.024 -4.133 1.00 0.00 O ATOM 974 CB VAL A 63 -5.305 8.338 -3.634 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.711 8.002 -3.161 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.659 9.371 -2.723 1.00 0.00 C ATOM 0 H VAL A 63 -2.961 8.325 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.335 6.650 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.377 8.764 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.307 8.913 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.171 7.301 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.663 7.551 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.284 10.263 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.555 8.957 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.675 9.634 -3.111 1.00 0.00 H new ATOM 986 N LYS A 64 -5.150 6.328 -5.902 1.00 0.00 N ATOM 987 CA LYS A 64 -5.775 5.434 -6.870 1.00 0.00 C ATOM 988 C LYS A 64 -5.202 4.024 -6.759 1.00 0.00 C ATOM 989 O LYS A 64 -5.871 3.045 -7.084 1.00 0.00 O ATOM 990 CB LYS A 64 -5.575 5.967 -8.291 1.00 0.00 C ATOM 991 CG LYS A 64 -6.261 5.130 -9.356 1.00 0.00 C ATOM 992 CD LYS A 64 -5.275 4.648 -10.407 1.00 0.00 C ATOM 993 CE LYS A 64 -5.954 3.773 -11.449 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.570 4.582 -12.537 1.00 0.00 N ATOM 0 H LYS A 64 -4.741 7.169 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.842 5.392 -6.651 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.953 6.988 -8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.507 6.011 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.746 4.272 -8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.045 5.718 -9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.814 5.506 -10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.474 4.087 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.225 3.085 -11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.721 3.166 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.022 3.949 -13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.284 5.221 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.834 5.142 -13.012 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.959 3.930 -6.297 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.298 2.641 -6.139 1.00 0.00 C ATOM 1010 C ALA A 65 -3.669 1.992 -4.810 1.00 0.00 C ATOM 1011 O ALA A 65 -4.220 0.892 -4.779 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.789 2.805 -6.246 1.00 0.00 C ATOM 0 H ALA A 65 -3.390 4.732 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.639 1.985 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.308 1.834 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.536 3.217 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.440 3.481 -5.466 1.00 0.00 H new ATOM 1018 N MET A 66 -3.363 2.681 -3.715 1.00 0.00 N ATOM 1019 CA MET A 66 -3.666 2.170 -2.383 1.00 0.00 C ATOM 1020 C MET A 66 -5.150 1.842 -2.251 1.00 0.00 C ATOM 1021 O MET A 66 -5.538 0.994 -1.447 1.00 0.00 O ATOM 1022 CB MET A 66 -3.262 3.192 -1.319 1.00 0.00 C ATOM 1023 CG MET A 66 -3.738 2.833 0.080 1.00 0.00 C ATOM 1024 SD MET A 66 -5.192 3.775 0.581 1.00 0.00 S ATOM 1025 CE MET A 66 -4.481 5.405 0.796 1.00 0.00 C ATOM 0 H MET A 66 -2.906 3.593 -3.724 1.00 0.00 H new ATOM 0 HA MET A 66 -3.095 1.254 -2.233 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.176 3.287 -1.311 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.665 4.167 -1.592 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.968 1.768 0.119 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.931 3.011 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.183 6.040 1.337 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.553 5.325 1.362 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.274 5.843 -0.180 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.974 2.518 -3.044 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.415 2.297 -3.016 1.00 0.00 C ATOM 1037 C ASP A 67 -7.749 0.845 -3.346 1.00 0.00 C ATOM 1038 O ASP A 67 -8.583 0.226 -2.687 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.116 3.231 -4.003 1.00 0.00 C ATOM 1040 CG ASP A 67 -8.786 4.405 -3.314 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -9.832 4.194 -2.666 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -8.262 5.534 -3.422 1.00 0.00 O ATOM 0 H ASP A 67 -5.669 3.224 -3.714 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.771 2.513 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.389 3.604 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.862 2.668 -4.564 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.093 0.311 -4.372 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.322 -1.067 -4.790 1.00 0.00 C ATOM 1049 C GLU A 68 -6.344 -2.014 -4.104 1.00 0.00 C ATOM 1050 O GLU A 68 -6.734 -3.061 -3.588 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.189 -1.191 -6.309 1.00 0.00 C ATOM 1052 CG GLU A 68 -8.103 -0.253 -7.079 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.300 -0.966 -7.678 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.111 -1.730 -8.648 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.425 -0.761 -7.177 1.00 0.00 O ATOM 0 H GLU A 68 -6.400 0.811 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.335 -1.345 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.156 -0.991 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.407 -2.218 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.451 0.537 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.536 0.228 -7.875 1.00 0.00 H new ATOM 1062 N MET A 69 -5.068 -1.638 -4.102 1.00 0.00 N ATOM 1063 CA MET A 69 -4.032 -2.454 -3.479 1.00 0.00 C ATOM 1064 C MET A 69 -4.411 -2.810 -2.044 1.00 0.00 C ATOM 1065 O MET A 69 -4.065 -3.883 -1.550 1.00 0.00 O ATOM 1066 CB MET A 69 -2.692 -1.716 -3.496 1.00 0.00 C ATOM 1067 CG MET A 69 -2.140 -1.492 -4.894 1.00 0.00 C ATOM 1068 SD MET A 69 -1.725 -3.034 -5.732 1.00 0.00 S ATOM 1069 CE MET A 69 -0.347 -3.600 -4.736 1.00 0.00 C ATOM 0 H MET A 69 -4.728 -0.774 -4.525 1.00 0.00 H new ATOM 0 HA MET A 69 -3.938 -3.377 -4.052 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.811 -0.752 -3.002 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.966 -2.284 -2.914 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.874 -0.947 -5.487 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.250 -0.865 -4.833 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.575 -3.522 -5.313 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.268 -2.984 -3.841 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.509 -4.639 -4.448 1.00 0.00 H new ATOM 1079 N ASN A 70 -5.123 -1.904 -1.382 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.547 -2.123 -0.004 1.00 0.00 C ATOM 1081 C ASN A 70 -6.260 -3.465 0.140 1.00 0.00 C ATOM 1082 O ASN A 70 -7.400 -3.622 -0.294 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.469 -0.991 0.454 1.00 0.00 C ATOM 1084 CG ASN A 70 -7.271 -1.361 1.688 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -6.733 -1.918 2.646 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -8.562 -1.054 1.668 1.00 0.00 N ATOM 0 H ASN A 70 -5.418 -1.011 -1.777 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.657 -2.135 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.873 -0.103 0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.152 -0.732 -0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.152 -1.279 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.964 -0.593 0.852 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.578 -4.428 0.751 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.162 -5.744 0.941 1.00 0.00 C ATOM 1095 C GLY A 71 -5.839 -6.691 -0.198 1.00 0.00 C ATOM 1096 O GLY A 71 -6.705 -7.429 -0.666 1.00 0.00 O ATOM 0 H GLY A 71 -4.632 -4.321 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.798 -6.168 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.244 -5.648 1.034 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.589 -6.670 -0.645 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.152 -7.533 -1.737 1.00 0.00 C ATOM 1102 C LYS A 72 -3.314 -8.694 -1.211 1.00 0.00 C ATOM 1103 O LYS A 72 -3.021 -8.768 -0.018 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.344 -6.729 -2.758 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.162 -6.260 -3.949 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.586 -7.424 -4.828 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.883 -7.388 -6.177 1.00 0.00 C ATOM 1108 NZ LYS A 72 -4.770 -6.857 -7.249 1.00 0.00 N ATOM 0 H LYS A 72 -3.859 -6.065 -0.268 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.039 -7.939 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.909 -5.861 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.515 -7.340 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.046 -5.728 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.577 -5.553 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.360 -8.364 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.665 -7.394 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.989 -6.768 -6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.554 -8.393 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.255 -6.848 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.611 -7.463 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.064 -5.889 -7.008 1.00 0.00 H new ATOM 1122 N GLU A 73 -2.932 -9.597 -2.109 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.127 -10.753 -1.733 1.00 0.00 C ATOM 1124 C GLU A 73 -0.846 -10.816 -2.559 1.00 0.00 C ATOM 1125 O GLU A 73 -0.850 -11.287 -3.696 1.00 0.00 O ATOM 1126 CB GLU A 73 -2.929 -12.043 -1.919 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.100 -13.305 -1.757 1.00 0.00 C ATOM 1128 CD GLU A 73 -2.908 -14.569 -1.980 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.303 -14.823 -3.138 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.147 -15.302 -0.998 1.00 0.00 O ATOM 0 H GLU A 73 -3.167 -9.550 -3.101 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.857 -10.649 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.746 -12.060 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.380 -12.040 -2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.268 -13.281 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.669 -13.326 -0.756 1.00 0.00 H new ATOM 1137 N ILE A 74 0.249 -10.337 -1.977 1.00 0.00 N ATOM 1138 CA ILE A 74 1.538 -10.339 -2.658 1.00 0.00 C ATOM 1139 C ILE A 74 2.378 -11.542 -2.243 1.00 0.00 C ATOM 1140 O ILE A 74 2.639 -11.749 -1.059 1.00 0.00 O ATOM 1141 CB ILE A 74 2.330 -9.049 -2.368 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.504 -7.820 -2.752 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.654 -9.061 -3.117 1.00 0.00 C ATOM 1144 CD1 ILE A 74 2.105 -6.516 -2.276 1.00 0.00 C ATOM 0 H ILE A 74 0.269 -9.943 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 74 1.330 -10.396 -3.726 1.00 0.00 H new ATOM 0 HB ILE A 74 2.540 -9.001 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.398 -7.788 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.501 -7.922 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.202 -8.144 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.245 -9.920 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.465 -9.128 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.467 -5.688 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.186 -6.528 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.096 -6.392 -2.712 1.00 0.00 H new ATOM 1156 N GLU A 75 2.799 -12.331 -3.227 1.00 0.00 N ATOM 1157 CA GLU A 75 3.611 -13.513 -2.963 1.00 0.00 C ATOM 1158 C GLU A 75 2.918 -14.436 -1.966 1.00 0.00 C ATOM 1159 O GLU A 75 3.571 -15.154 -1.210 1.00 0.00 O ATOM 1160 CB GLU A 75 4.985 -13.107 -2.429 1.00 0.00 C ATOM 1161 CG GLU A 75 6.140 -13.807 -3.124 1.00 0.00 C ATOM 1162 CD GLU A 75 6.293 -13.383 -4.571 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.679 -12.368 -4.960 1.00 0.00 O ATOM 1164 OE2 GLU A 75 7.026 -14.067 -5.316 1.00 0.00 O ATOM 0 H GLU A 75 2.591 -12.173 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 75 3.740 -14.051 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.105 -12.029 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.029 -13.324 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.065 -13.594 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.986 -14.885 -3.080 1.00 0.00 H new ATOM 1171 N GLY A 76 1.588 -14.413 -1.972 1.00 0.00 N ATOM 1172 CA GLY A 76 0.827 -15.252 -1.064 1.00 0.00 C ATOM 1173 C GLY A 76 0.958 -14.811 0.381 1.00 0.00 C ATOM 1174 O GLY A 76 0.694 -15.586 1.299 1.00 0.00 O ATOM 0 H GLY A 76 1.024 -13.828 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.224 -15.234 -1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.166 -16.284 -1.158 1.00 0.00 H new ATOM 1178 N GLU A 77 1.368 -13.562 0.581 1.00 0.00 N ATOM 1179 CA GLU A 77 1.535 -13.020 1.924 1.00 0.00 C ATOM 1180 C GLU A 77 0.587 -11.848 2.160 1.00 0.00 C ATOM 1181 O GLU A 77 0.623 -10.853 1.436 1.00 0.00 O ATOM 1182 CB GLU A 77 2.982 -12.573 2.142 1.00 0.00 C ATOM 1183 CG GLU A 77 3.948 -13.724 2.366 1.00 0.00 C ATOM 1184 CD GLU A 77 4.250 -13.953 3.835 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.295 -14.155 4.612 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.442 -13.930 4.206 1.00 0.00 O ATOM 0 H GLU A 77 1.590 -12.908 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 77 1.295 -13.808 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.310 -11.998 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.021 -11.904 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.528 -14.635 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.878 -13.522 1.835 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.259 -11.974 3.178 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.216 -10.924 3.508 1.00 0.00 C ATOM 1195 C GLU A 78 -0.514 -9.580 3.681 1.00 0.00 C ATOM 1196 O GLU A 78 0.158 -9.345 4.686 1.00 0.00 O ATOM 1197 CB GLU A 78 -1.978 -11.283 4.785 1.00 0.00 C ATOM 1198 CG GLU A 78 -3.447 -11.593 4.552 1.00 0.00 C ATOM 1199 CD GLU A 78 -4.356 -10.898 5.547 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.400 -9.649 5.538 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -5.024 -11.601 6.334 1.00 0.00 O ATOM 0 H GLU A 78 -0.301 -12.791 3.787 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.923 -10.839 2.683 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.503 -12.146 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.898 -10.456 5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.722 -11.291 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.601 -12.670 4.616 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.674 -8.705 2.695 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.057 -7.384 2.739 1.00 0.00 C ATOM 1210 C ILE A 79 -1.041 -6.333 3.242 1.00 0.00 C ATOM 1211 O ILE A 79 -2.243 -6.429 2.999 1.00 0.00 O ATOM 1212 CB ILE A 79 0.466 -6.962 1.353 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.699 -6.780 0.379 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.452 -7.992 0.822 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.943 -5.338 -0.010 1.00 0.00 C ATOM 0 H ILE A 79 -1.225 -8.886 1.856 1.00 0.00 H new ATOM 0 HA ILE A 79 0.783 -7.450 3.431 1.00 0.00 H new ATOM 0 HB ILE A 79 0.985 -6.009 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.503 -7.362 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.605 -7.184 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.812 -7.679 -0.158 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.295 -8.077 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.956 -8.959 0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.783 -5.285 -0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.170 -4.754 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.051 -4.935 -0.490 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.519 -5.331 3.941 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.353 -4.260 4.476 1.00 0.00 C ATOM 1229 C GLU A 80 -0.938 -2.909 3.902 1.00 0.00 C ATOM 1230 O GLU A 80 0.208 -2.722 3.494 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.261 -4.228 6.003 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.355 -3.404 6.662 1.00 0.00 C ATOM 1233 CD GLU A 80 -2.502 -3.705 8.141 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -3.251 -4.643 8.484 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -1.868 -3.002 8.955 1.00 0.00 O ATOM 0 H GLU A 80 0.475 -5.238 4.150 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.385 -4.457 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.308 -5.249 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.290 -3.825 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.135 -2.344 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.303 -3.598 6.160 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.879 -1.970 3.874 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.612 -0.637 3.351 1.00 0.00 C ATOM 1244 C ILE A 81 -2.332 0.429 4.170 1.00 0.00 C ATOM 1245 O ILE A 81 -3.522 0.307 4.458 1.00 0.00 O ATOM 1246 CB ILE A 81 -2.041 -0.513 1.877 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.494 -1.688 1.064 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.565 0.809 1.295 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.919 -1.668 -0.388 1.00 0.00 C ATOM 0 H ILE A 81 -2.833 -2.109 4.208 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.536 -0.481 3.421 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.130 -0.537 1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.405 -1.680 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.827 -2.621 1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.876 0.881 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.999 1.633 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.478 0.862 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.495 -2.530 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.007 -1.708 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.562 -0.752 -0.859 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.602 1.477 4.540 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.171 2.568 5.323 1.00 0.00 C ATOM 1263 C VAL A 82 -1.572 3.908 4.915 1.00 0.00 C ATOM 1264 O VAL A 82 -0.459 3.970 4.391 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.945 2.353 6.832 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.549 1.031 7.279 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.460 2.408 7.160 1.00 0.00 C ATOM 0 H VAL A 82 -0.615 1.593 4.310 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.242 2.577 5.122 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.444 3.155 7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.380 0.896 8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.621 1.034 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.080 0.213 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.318 2.254 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.064 1.627 6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.061 3.382 6.877 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.315 4.981 5.160 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.857 6.324 4.819 1.00 0.00 C ATOM 1279 C LEU A 83 -0.779 6.794 5.790 1.00 0.00 C ATOM 1280 O LEU A 83 -1.055 7.051 6.962 1.00 0.00 O ATOM 1281 CB LEU A 83 -3.031 7.303 4.829 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.934 7.282 3.594 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -5.337 7.749 3.951 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -3.346 8.146 2.489 1.00 0.00 C ATOM 0 H LEU A 83 -3.238 4.948 5.594 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.429 6.292 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.644 7.095 5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.636 8.312 4.948 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.997 6.256 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.965 7.728 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.759 7.088 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.294 8.766 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.001 8.119 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.252 9.173 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.362 7.766 2.214 1.00 0.00 H new ATOM 1296 N ALA A 84 0.448 6.909 5.295 1.00 0.00 N ATOM 1297 CA ALA A 84 1.566 7.352 6.117 1.00 0.00 C ATOM 1298 C ALA A 84 1.361 8.786 6.596 1.00 0.00 C ATOM 1299 O ALA A 84 0.699 9.584 5.931 1.00 0.00 O ATOM 1300 CB ALA A 84 2.871 7.235 5.344 1.00 0.00 C ATOM 0 H ALA A 84 0.693 6.701 4.327 1.00 0.00 H new ATOM 0 HA ALA A 84 1.617 6.706 6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.697 7.570 5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.032 6.196 5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.821 7.855 4.449 1.00 0.00 H new