USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 601 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 26 ASN :FLIP amide:sc= -0.562 F(o=-5.4,f=-3.9) USER MOD Set 1.2: A 85 ASN :FLIP amide:sc= -3.3! F(o=-5.5,f=-3.9!) USER MOD Set 2.1: A 16 THR OG1 : rot -103:sc= -3.19! USER MOD Set 2.2: A 19 ASN : amide:sc= -6.66! C(o=-9.8!,f=-12!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.7) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 144:sc= -0.0786 (180deg=-3.35!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -2.31 F(o=-3!,f=-2.3) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 138:sc= -0.334! USER MOD Single : A 57 ASN :FLIP amide:sc= -7.93! C(o=-9.2!,f=-7.9!) USER MOD Single : A 59 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0405) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.77! USER MOD Single : A 73 LYS NZ :NH3+ -109:sc= -0.608 (180deg=-1.48!) USER MOD Single : A 78 THR OG1 : rot 89:sc= 0.113 USER MOD Single : A 81 LYS NZ :NH3+ -127:sc=-0.00986 (180deg=-0.115) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N THR A 15 71.167 10.442 -2.736 1.00 0.00 N ATOM 191 CA THR A 15 71.104 11.089 -1.395 1.00 0.00 C ATOM 192 C THR A 15 72.510 11.467 -0.927 1.00 0.00 C ATOM 193 O THR A 15 72.687 12.267 -0.030 1.00 0.00 O ATOM 194 CB THR A 15 70.480 10.031 -0.476 1.00 0.00 C ATOM 195 OG1 THR A 15 69.881 10.672 0.641 1.00 0.00 O ATOM 196 CG2 THR A 15 71.552 9.050 0.012 1.00 0.00 C ATOM 0 HA THR A 15 70.521 12.010 -1.401 1.00 0.00 H new ATOM 0 HB THR A 15 69.725 9.478 -1.034 1.00 0.00 H new ATOM 0 HG1 THR A 15 69.480 9.998 1.229 1.00 0.00 H new ATOM 0 HG21 THR A 15 71.094 8.305 0.663 1.00 0.00 H new ATOM 0 HG22 THR A 15 72.007 8.553 -0.845 1.00 0.00 H new ATOM 0 HG23 THR A 15 72.318 9.594 0.565 1.00 0.00 H new ATOM 204 N THR A 16 73.506 10.891 -1.530 1.00 0.00 N ATOM 205 CA THR A 16 74.906 11.205 -1.126 1.00 0.00 C ATOM 206 C THR A 16 75.805 11.342 -2.355 1.00 0.00 C ATOM 207 O THR A 16 75.497 10.833 -3.415 1.00 0.00 O ATOM 208 CB THR A 16 75.348 10.013 -0.281 1.00 0.00 C ATOM 209 OG1 THR A 16 75.004 8.809 -0.949 1.00 0.00 O ATOM 210 CG2 THR A 16 74.651 10.063 1.076 1.00 0.00 C ATOM 0 H THR A 16 73.415 10.214 -2.288 1.00 0.00 H new ATOM 0 HA THR A 16 74.970 12.147 -0.581 1.00 0.00 H new ATOM 0 HB THR A 16 76.427 10.051 -0.133 1.00 0.00 H new ATOM 0 HG1 THR A 16 74.208 8.419 -0.531 1.00 0.00 H new ATOM 0 HG21 THR A 16 74.967 9.212 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 16 74.916 10.988 1.587 1.00 0.00 H new ATOM 0 HG23 THR A 16 73.571 10.025 0.932 1.00 0.00 H new ATOM 218 N PRO A 17 76.895 12.033 -2.164 1.00 0.00 N ATOM 219 CA PRO A 17 77.863 12.248 -3.263 1.00 0.00 C ATOM 220 C PRO A 17 78.681 10.977 -3.516 1.00 0.00 C ATOM 221 O PRO A 17 79.130 10.729 -4.616 1.00 0.00 O ATOM 222 CB PRO A 17 78.755 13.369 -2.739 1.00 0.00 C ATOM 223 CG PRO A 17 78.660 13.281 -1.248 1.00 0.00 C ATOM 224 CD PRO A 17 77.321 12.672 -0.915 1.00 0.00 C ATOM 0 HA PRO A 17 77.385 12.495 -4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 17 79.784 13.244 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 17 78.418 14.341 -3.098 1.00 0.00 H new ATOM 0 HG2 PRO A 17 79.469 12.670 -0.848 1.00 0.00 H new ATOM 0 HG3 PRO A 17 78.754 14.270 -0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 17 77.404 11.947 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 17 76.608 13.431 -0.592 1.00 0.00 H new ATOM 232 N PHE A 18 78.886 10.174 -2.505 1.00 0.00 N ATOM 233 CA PHE A 18 79.685 8.930 -2.701 1.00 0.00 C ATOM 234 C PHE A 18 78.777 7.694 -2.697 1.00 0.00 C ATOM 235 O PHE A 18 78.358 7.219 -1.661 1.00 0.00 O ATOM 236 CB PHE A 18 80.653 8.895 -1.519 1.00 0.00 C ATOM 237 CG PHE A 18 81.519 10.130 -1.554 1.00 0.00 C ATOM 238 CD1 PHE A 18 82.573 10.222 -2.471 1.00 0.00 C ATOM 239 CD2 PHE A 18 81.266 11.189 -0.672 1.00 0.00 C ATOM 240 CE1 PHE A 18 83.372 11.370 -2.507 1.00 0.00 C ATOM 241 CE2 PHE A 18 82.064 12.337 -0.709 1.00 0.00 C ATOM 242 CZ PHE A 18 83.119 12.427 -1.627 1.00 0.00 C ATOM 0 H PHE A 18 78.537 10.325 -1.558 1.00 0.00 H new ATOM 0 HA PHE A 18 80.206 8.924 -3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 18 80.100 8.850 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 18 81.273 8.000 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 18 82.769 9.406 -3.151 1.00 0.00 H new ATOM 0 HD2 PHE A 18 80.454 11.119 0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 18 84.185 11.440 -3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 18 81.867 13.154 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 18 83.737 13.313 -1.655 1.00 0.00 H new ATOM 252 N ASN A 19 78.485 7.168 -3.856 1.00 0.00 N ATOM 253 CA ASN A 19 77.622 5.961 -3.943 1.00 0.00 C ATOM 254 C ASN A 19 78.247 4.968 -4.922 1.00 0.00 C ATOM 255 O ASN A 19 78.936 5.349 -5.848 1.00 0.00 O ATOM 256 CB ASN A 19 76.283 6.462 -4.481 1.00 0.00 C ATOM 257 CG ASN A 19 75.874 7.739 -3.744 1.00 0.00 C ATOM 258 OD1 ASN A 19 76.611 8.705 -3.721 1.00 0.00 O ATOM 259 ND2 ASN A 19 74.719 7.785 -3.136 1.00 0.00 N ATOM 0 H ASN A 19 78.812 7.528 -4.753 1.00 0.00 H new ATOM 0 HA ASN A 19 77.506 5.457 -2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 19 76.360 6.657 -5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 19 75.519 5.696 -4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 19 74.436 8.631 -2.642 1.00 0.00 H new ATOM 0 HD22 ASN A 19 74.100 6.975 -3.155 1.00 0.00 H new ATOM 266 N LEU A 20 78.021 3.704 -4.730 1.00 0.00 N ATOM 267 CA LEU A 20 78.614 2.702 -5.659 1.00 0.00 C ATOM 268 C LEU A 20 78.084 1.300 -5.358 1.00 0.00 C ATOM 269 O LEU A 20 77.228 1.114 -4.516 1.00 0.00 O ATOM 270 CB LEU A 20 80.118 2.772 -5.400 1.00 0.00 C ATOM 271 CG LEU A 20 80.416 2.285 -3.981 1.00 0.00 C ATOM 272 CD1 LEU A 20 80.529 0.761 -3.977 1.00 0.00 C ATOM 273 CD2 LEU A 20 81.734 2.895 -3.501 1.00 0.00 C ATOM 0 H LEU A 20 77.454 3.319 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 20 78.362 2.911 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 20 80.651 2.158 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 20 80.472 3.795 -5.526 1.00 0.00 H new ATOM 0 HG LEU A 20 79.609 2.590 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 20 80.741 0.415 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 20 79.590 0.326 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 20 81.336 0.454 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 20 81.948 2.549 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 20 82.540 2.589 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 20 81.654 3.982 -3.503 1.00 0.00 H new ATOM 285 N PHE A 21 78.588 0.311 -6.043 1.00 0.00 N ATOM 286 CA PHE A 21 78.118 -1.082 -5.804 1.00 0.00 C ATOM 287 C PHE A 21 79.222 -1.899 -5.133 1.00 0.00 C ATOM 288 O PHE A 21 80.393 -1.608 -5.267 1.00 0.00 O ATOM 289 CB PHE A 21 77.807 -1.641 -7.193 1.00 0.00 C ATOM 290 CG PHE A 21 77.655 -3.144 -7.118 1.00 0.00 C ATOM 291 CD1 PHE A 21 78.787 -3.958 -6.979 1.00 0.00 C ATOM 292 CD2 PHE A 21 76.383 -3.723 -7.190 1.00 0.00 C ATOM 293 CE1 PHE A 21 78.645 -5.349 -6.912 1.00 0.00 C ATOM 294 CE2 PHE A 21 76.241 -5.114 -7.123 1.00 0.00 C ATOM 295 CZ PHE A 21 77.372 -5.927 -6.984 1.00 0.00 C ATOM 0 H PHE A 21 79.307 0.408 -6.760 1.00 0.00 H new ATOM 0 HA PHE A 21 77.248 -1.119 -5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 21 76.892 -1.193 -7.579 1.00 0.00 H new ATOM 0 HB3 PHE A 21 78.606 -1.381 -7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 21 79.769 -3.512 -6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 21 75.510 -3.096 -7.297 1.00 0.00 H new ATOM 0 HE1 PHE A 21 79.518 -5.976 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 21 75.259 -5.560 -7.179 1.00 0.00 H new ATOM 0 HZ PHE A 21 77.263 -7.000 -6.932 1.00 0.00 H new ATOM 305 N ILE A 22 78.856 -2.922 -4.414 1.00 0.00 N ATOM 306 CA ILE A 22 79.880 -3.763 -3.738 1.00 0.00 C ATOM 307 C ILE A 22 79.477 -5.237 -3.839 1.00 0.00 C ATOM 308 O ILE A 22 78.315 -5.564 -3.956 1.00 0.00 O ATOM 309 CB ILE A 22 79.886 -3.270 -2.282 1.00 0.00 C ATOM 310 CG1 ILE A 22 80.945 -2.176 -2.126 1.00 0.00 C ATOM 311 CG2 ILE A 22 80.206 -4.423 -1.322 1.00 0.00 C ATOM 312 CD1 ILE A 22 80.580 -1.275 -0.945 1.00 0.00 C ATOM 0 H ILE A 22 77.890 -3.212 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 22 80.871 -3.683 -4.184 1.00 0.00 H new ATOM 0 HB ILE A 22 78.899 -2.876 -2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 22 81.925 -2.625 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 22 81.011 -1.586 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 22 80.205 -4.053 -0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 22 79.452 -5.204 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 22 81.188 -4.832 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 22 81.335 -0.496 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 22 79.608 -0.816 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 22 80.537 -1.870 -0.033 1.00 0.00 H new ATOM 324 N GLY A 23 80.427 -6.126 -3.799 1.00 0.00 N ATOM 325 CA GLY A 23 80.089 -7.574 -3.896 1.00 0.00 C ATOM 326 C GLY A 23 80.588 -8.300 -2.647 1.00 0.00 C ATOM 327 O GLY A 23 81.115 -7.694 -1.734 1.00 0.00 O ATOM 0 H GLY A 23 81.420 -5.915 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 23 79.011 -7.701 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.545 -8.006 -4.787 1.00 0.00 H new ATOM 331 N ASN A 24 80.425 -9.594 -2.597 1.00 0.00 N ATOM 332 CA ASN A 24 80.888 -10.364 -1.402 1.00 0.00 C ATOM 333 C ASN A 24 79.995 -10.051 -0.199 1.00 0.00 C ATOM 334 O ASN A 24 80.401 -9.383 0.731 1.00 0.00 O ATOM 335 CB ASN A 24 82.320 -9.888 -1.146 1.00 0.00 C ATOM 336 CG ASN A 24 83.234 -11.095 -0.927 1.00 0.00 C ATOM 337 OD1 ASN A 24 83.125 -12.089 -1.619 1.00 0.00 O ATOM 338 ND2 ASN A 24 84.138 -11.051 0.013 1.00 0.00 N ATOM 0 H ASN A 24 79.991 -10.154 -3.331 1.00 0.00 H new ATOM 0 HA ASN A 24 80.844 -11.441 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.675 -9.300 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.346 -9.237 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 24 84.753 -11.850 0.167 1.00 0.00 H new ATOM 0 HD22 ASN A 24 84.230 -10.217 0.594 1.00 0.00 H new ATOM 345 N LEU A 25 78.780 -10.527 -0.211 1.00 0.00 N ATOM 346 CA LEU A 25 77.860 -10.253 0.931 1.00 0.00 C ATOM 347 C LEU A 25 77.531 -11.551 1.671 1.00 0.00 C ATOM 348 O LEU A 25 76.486 -11.687 2.275 1.00 0.00 O ATOM 349 CB LEU A 25 76.601 -9.675 0.292 1.00 0.00 C ATOM 350 CG LEU A 25 76.419 -8.223 0.738 1.00 0.00 C ATOM 351 CD1 LEU A 25 76.547 -8.133 2.260 1.00 0.00 C ATOM 352 CD2 LEU A 25 77.495 -7.353 0.085 1.00 0.00 C ATOM 0 H LEU A 25 78.384 -11.093 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 25 78.301 -9.573 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 25 76.676 -9.726 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 25 75.731 -10.266 0.579 1.00 0.00 H new ATOM 0 HG LEU A 25 75.432 -7.872 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 25 76.417 -7.098 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 25 75.782 -8.753 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 25 77.533 -8.484 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 25 77.367 -6.318 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 25 78.481 -7.706 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 25 77.404 -7.415 -0.999 1.00 0.00 H new ATOM 364 N ASN A 26 78.415 -12.506 1.626 1.00 0.00 N ATOM 365 CA ASN A 26 78.159 -13.798 2.325 1.00 0.00 C ATOM 366 C ASN A 26 76.809 -14.377 1.895 1.00 0.00 C ATOM 367 O ASN A 26 75.775 -13.988 2.401 1.00 0.00 O ATOM 368 CB ASN A 26 78.141 -13.445 3.814 1.00 0.00 C ATOM 369 CG ASN A 26 79.038 -14.420 4.579 1.00 0.00 C ATOM 370 OD1 ASN A 26 79.988 -13.952 5.342 1.00 0.00 O flip ATOM 371 ND2 ASN A 26 78.871 -15.619 4.482 1.00 0.00 N flip ATOM 0 H ASN A 26 79.307 -12.449 1.134 1.00 0.00 H new ATOM 0 HA ASN A 26 78.914 -14.549 2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 26 78.489 -12.422 3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 26 77.122 -13.493 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 26 78.128 -15.984 3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 26 79.473 -16.261 4.997 1.00 0.00 H new ATOM 378 N PRO A 27 76.867 -15.292 0.967 1.00 0.00 N ATOM 379 CA PRO A 27 75.635 -15.939 0.450 1.00 0.00 C ATOM 380 C PRO A 27 75.073 -16.924 1.480 1.00 0.00 C ATOM 381 O PRO A 27 73.976 -17.427 1.335 1.00 0.00 O ATOM 382 CB PRO A 27 76.114 -16.673 -0.799 1.00 0.00 C ATOM 383 CG PRO A 27 77.573 -16.915 -0.572 1.00 0.00 C ATOM 384 CD PRO A 27 78.076 -15.802 0.311 1.00 0.00 C ATOM 0 HA PRO A 27 74.834 -15.230 0.242 1.00 0.00 H new ATOM 0 HB2 PRO A 27 75.575 -17.611 -0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 27 75.948 -16.076 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO A 27 77.733 -17.884 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 27 78.113 -16.929 -1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 27 78.801 -16.167 1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 27 78.572 -15.025 -0.271 1.00 0.00 H new ATOM 392 N ASN A 28 75.813 -17.204 2.519 1.00 0.00 N ATOM 393 CA ASN A 28 75.316 -18.155 3.555 1.00 0.00 C ATOM 394 C ASN A 28 74.651 -17.381 4.693 1.00 0.00 C ATOM 395 O ASN A 28 73.968 -17.942 5.527 1.00 0.00 O ATOM 396 CB ASN A 28 76.563 -18.883 4.056 1.00 0.00 C ATOM 397 CG ASN A 28 77.185 -19.683 2.909 1.00 0.00 C ATOM 398 OD1 ASN A 28 78.307 -19.432 2.519 1.00 0.00 O ATOM 399 ND2 ASN A 28 76.498 -20.641 2.350 1.00 0.00 N ATOM 0 H ASN A 28 76.740 -16.816 2.695 1.00 0.00 H new ATOM 0 HA ASN A 28 74.573 -18.849 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 28 77.284 -18.164 4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 28 76.302 -19.549 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 28 76.903 -21.180 1.585 1.00 0.00 H new ATOM 0 HD22 ASN A 28 75.555 -20.851 2.678 1.00 0.00 H new ATOM 406 N LYS A 29 74.844 -16.093 4.727 1.00 0.00 N ATOM 407 CA LYS A 29 74.229 -15.266 5.798 1.00 0.00 C ATOM 408 C LYS A 29 73.215 -14.302 5.181 1.00 0.00 C ATOM 409 O LYS A 29 72.742 -14.507 4.080 1.00 0.00 O ATOM 410 CB LYS A 29 75.401 -14.507 6.420 1.00 0.00 C ATOM 411 CG LYS A 29 75.969 -15.318 7.586 1.00 0.00 C ATOM 412 CD LYS A 29 74.898 -15.488 8.665 1.00 0.00 C ATOM 413 CE LYS A 29 75.550 -15.408 10.048 1.00 0.00 C ATOM 414 NZ LYS A 29 74.546 -15.990 10.981 1.00 0.00 N ATOM 0 H LYS A 29 75.406 -15.574 4.052 1.00 0.00 H new ATOM 0 HA LYS A 29 73.693 -15.857 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 29 76.175 -14.334 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.071 -13.529 6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.303 -16.294 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 29 76.841 -14.814 8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.138 -14.713 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.393 -16.447 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.486 -15.967 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.786 -14.378 10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 74.921 -15.970 11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 73.668 -15.434 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.347 -16.973 10.707 1.00 0.00 H new ATOM 428 N SER A 30 72.876 -13.254 5.873 1.00 0.00 N ATOM 429 CA SER A 30 71.893 -12.285 5.314 1.00 0.00 C ATOM 430 C SER A 30 72.573 -10.950 5.021 1.00 0.00 C ATOM 431 O SER A 30 73.493 -10.542 5.706 1.00 0.00 O ATOM 432 CB SER A 30 70.842 -12.104 6.402 1.00 0.00 C ATOM 433 OG SER A 30 70.565 -13.360 7.006 1.00 0.00 O ATOM 0 H SER A 30 73.235 -13.025 6.800 1.00 0.00 H new ATOM 0 HA SER A 30 71.460 -12.642 4.379 1.00 0.00 H new ATOM 0 HB2 SER A 30 71.198 -11.398 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 30 69.931 -11.684 5.976 1.00 0.00 H new ATOM 0 HG SER A 30 69.890 -13.244 7.707 1.00 0.00 H new ATOM 439 N VAL A 31 72.122 -10.254 4.020 1.00 0.00 N ATOM 440 CA VAL A 31 72.745 -8.943 3.710 1.00 0.00 C ATOM 441 C VAL A 31 72.434 -7.968 4.843 1.00 0.00 C ATOM 442 O VAL A 31 73.101 -6.968 5.021 1.00 0.00 O ATOM 443 CB VAL A 31 72.119 -8.478 2.394 1.00 0.00 C ATOM 444 CG1 VAL A 31 73.024 -7.427 1.748 1.00 0.00 C ATOM 445 CG2 VAL A 31 71.973 -9.668 1.440 1.00 0.00 C ATOM 0 H VAL A 31 71.355 -10.533 3.408 1.00 0.00 H new ATOM 0 HA VAL A 31 73.829 -9.005 3.615 1.00 0.00 H new ATOM 0 HB VAL A 31 71.136 -8.051 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 31 72.581 -7.093 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 31 73.132 -6.577 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 31 74.004 -7.862 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 31 71.527 -9.332 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 72.955 -10.097 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 31 71.333 -10.424 1.896 1.00 0.00 H new ATOM 455 N ALA A 32 71.433 -8.268 5.627 1.00 0.00 N ATOM 456 CA ALA A 32 71.087 -7.379 6.767 1.00 0.00 C ATOM 457 C ALA A 32 72.201 -7.449 7.809 1.00 0.00 C ATOM 458 O ALA A 32 72.617 -6.450 8.362 1.00 0.00 O ATOM 459 CB ALA A 32 69.780 -7.939 7.330 1.00 0.00 C ATOM 0 H ALA A 32 70.841 -9.092 5.525 1.00 0.00 H new ATOM 0 HA ALA A 32 70.976 -6.335 6.474 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.460 -7.333 8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 32 69.012 -7.916 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.936 -8.967 7.657 1.00 0.00 H new ATOM 465 N GLU A 33 72.698 -8.627 8.065 1.00 0.00 N ATOM 466 CA GLU A 33 73.801 -8.772 9.053 1.00 0.00 C ATOM 467 C GLU A 33 75.055 -8.093 8.497 1.00 0.00 C ATOM 468 O GLU A 33 75.721 -7.338 9.179 1.00 0.00 O ATOM 469 CB GLU A 33 73.991 -10.294 9.221 1.00 0.00 C ATOM 470 CG GLU A 33 75.123 -10.810 8.323 1.00 0.00 C ATOM 471 CD GLU A 33 75.430 -12.261 8.687 1.00 0.00 C ATOM 472 OE1 GLU A 33 74.640 -12.849 9.406 1.00 0.00 O ATOM 473 OE2 GLU A 33 76.448 -12.759 8.239 1.00 0.00 O ATOM 0 H GLU A 33 72.387 -9.496 7.632 1.00 0.00 H new ATOM 0 HA GLU A 33 73.590 -8.305 10.015 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.215 -10.523 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 33 73.063 -10.809 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 33 74.833 -10.739 7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 33 76.013 -10.194 8.450 1.00 0.00 H new ATOM 480 N LEU A 34 75.368 -8.339 7.253 1.00 0.00 N ATOM 481 CA LEU A 34 76.556 -7.696 6.646 1.00 0.00 C ATOM 482 C LEU A 34 76.345 -6.185 6.639 1.00 0.00 C ATOM 483 O LEU A 34 77.268 -5.414 6.815 1.00 0.00 O ATOM 484 CB LEU A 34 76.608 -8.253 5.227 1.00 0.00 C ATOM 485 CG LEU A 34 77.209 -9.659 5.256 1.00 0.00 C ATOM 486 CD1 LEU A 34 76.172 -10.668 4.762 1.00 0.00 C ATOM 487 CD2 LEU A 34 78.437 -9.707 4.346 1.00 0.00 C ATOM 0 H LEU A 34 74.847 -8.960 6.634 1.00 0.00 H new ATOM 0 HA LEU A 34 77.484 -7.892 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 34 75.606 -8.282 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 34 77.208 -7.602 4.591 1.00 0.00 H new ATOM 0 HG LEU A 34 77.501 -9.907 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 34 76.601 -11.670 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 34 75.295 -10.635 5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 34 75.880 -10.419 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 34 78.866 -10.709 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 34 78.144 -9.458 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 34 79.178 -8.988 4.696 1.00 0.00 H new ATOM 499 N LYS A 35 75.124 -5.759 6.461 1.00 0.00 N ATOM 500 CA LYS A 35 74.840 -4.300 6.470 1.00 0.00 C ATOM 501 C LYS A 35 75.302 -3.720 7.805 1.00 0.00 C ATOM 502 O LYS A 35 76.023 -2.744 7.861 1.00 0.00 O ATOM 503 CB LYS A 35 73.322 -4.185 6.324 1.00 0.00 C ATOM 504 CG LYS A 35 72.987 -3.177 5.223 1.00 0.00 C ATOM 505 CD LYS A 35 73.106 -3.853 3.856 1.00 0.00 C ATOM 506 CE LYS A 35 71.771 -4.505 3.490 1.00 0.00 C ATOM 507 NZ LYS A 35 70.763 -3.414 3.614 1.00 0.00 N ATOM 0 H LYS A 35 74.313 -6.359 6.310 1.00 0.00 H new ATOM 0 HA LYS A 35 75.353 -3.758 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 35 72.895 -5.158 6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 35 72.879 -3.868 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 35 71.977 -2.792 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 35 73.663 -2.324 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 35 73.384 -3.120 3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 35 73.896 -4.604 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 35 71.793 -4.909 2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 35 71.540 -5.334 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 70.039 -3.525 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 70.313 -3.462 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 71.233 -2.493 3.502 1.00 0.00 H new ATOM 521 N VAL A 36 74.908 -4.342 8.883 1.00 0.00 N ATOM 522 CA VAL A 36 75.336 -3.866 10.227 1.00 0.00 C ATOM 523 C VAL A 36 76.845 -4.013 10.351 1.00 0.00 C ATOM 524 O VAL A 36 77.501 -3.231 11.003 1.00 0.00 O ATOM 525 CB VAL A 36 74.632 -4.792 11.207 1.00 0.00 C ATOM 526 CG1 VAL A 36 75.038 -4.430 12.637 1.00 0.00 C ATOM 527 CG2 VAL A 36 73.116 -4.647 11.052 1.00 0.00 C ATOM 0 H VAL A 36 74.304 -5.164 8.889 1.00 0.00 H new ATOM 0 HA VAL A 36 75.089 -2.820 10.408 1.00 0.00 H new ATOM 0 HB VAL A 36 74.919 -5.823 11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.533 -5.094 13.338 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.117 -4.539 12.747 1.00 0.00 H new ATOM 0 HG13 VAL A 36 74.754 -3.399 12.846 1.00 0.00 H new ATOM 0 HG21 VAL A 36 72.613 -5.311 11.755 1.00 0.00 H new ATOM 0 HG22 VAL A 36 72.826 -3.616 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 36 72.827 -4.910 10.034 1.00 0.00 H new ATOM 537 N ALA A 37 77.405 -5.005 9.716 1.00 0.00 N ATOM 538 CA ALA A 37 78.877 -5.177 9.784 1.00 0.00 C ATOM 539 C ALA A 37 79.528 -3.992 9.088 1.00 0.00 C ATOM 540 O ALA A 37 80.476 -3.413 9.573 1.00 0.00 O ATOM 541 CB ALA A 37 79.171 -6.479 9.039 1.00 0.00 C ATOM 0 H ALA A 37 76.908 -5.698 9.157 1.00 0.00 H new ATOM 0 HA ALA A 37 79.260 -5.222 10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 37 80.244 -6.670 9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 37 78.651 -7.303 9.528 1.00 0.00 H new ATOM 0 HB3 ALA A 37 78.828 -6.394 8.008 1.00 0.00 H new ATOM 547 N ILE A 38 78.996 -3.609 7.964 1.00 0.00 N ATOM 548 CA ILE A 38 79.555 -2.439 7.240 1.00 0.00 C ATOM 549 C ILE A 38 79.122 -1.159 7.953 1.00 0.00 C ATOM 550 O ILE A 38 79.774 -0.138 7.870 1.00 0.00 O ATOM 551 CB ILE A 38 78.954 -2.508 5.835 1.00 0.00 C ATOM 552 CG1 ILE A 38 79.361 -3.826 5.171 1.00 0.00 C ATOM 553 CG2 ILE A 38 79.473 -1.337 5.000 1.00 0.00 C ATOM 554 CD1 ILE A 38 80.868 -4.034 5.332 1.00 0.00 C ATOM 0 H ILE A 38 78.197 -4.057 7.515 1.00 0.00 H new ATOM 0 HA ILE A 38 80.644 -2.444 7.203 1.00 0.00 H new ATOM 0 HB ILE A 38 77.867 -2.454 5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 38 78.818 -4.656 5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 38 79.096 -3.810 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.045 -1.386 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 38 79.185 -0.398 5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 38 80.560 -1.391 4.933 1.00 0.00 H new ATOM 0 HD11 ILE A 38 81.158 -4.972 4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 38 81.402 -3.209 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 38 81.119 -4.069 6.392 1.00 0.00 H new ATOM 566 N SER A 39 78.033 -1.204 8.673 1.00 0.00 N ATOM 567 CA SER A 39 77.589 0.018 9.400 1.00 0.00 C ATOM 568 C SER A 39 78.445 0.185 10.655 1.00 0.00 C ATOM 569 O SER A 39 78.781 1.282 11.061 1.00 0.00 O ATOM 570 CB SER A 39 76.130 -0.243 9.770 1.00 0.00 C ATOM 571 OG SER A 39 75.780 0.556 10.893 1.00 0.00 O ATOM 0 H SER A 39 77.438 -2.025 8.788 1.00 0.00 H new ATOM 0 HA SER A 39 77.689 0.927 8.807 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.481 -0.009 8.926 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.984 -1.298 10.000 1.00 0.00 H new ATOM 0 HG SER A 39 74.844 0.392 11.132 1.00 0.00 H new ATOM 577 N GLU A 40 78.812 -0.907 11.257 1.00 0.00 N ATOM 578 CA GLU A 40 79.653 -0.848 12.477 1.00 0.00 C ATOM 579 C GLU A 40 81.114 -0.655 12.086 1.00 0.00 C ATOM 580 O GLU A 40 81.850 0.074 12.721 1.00 0.00 O ATOM 581 CB GLU A 40 79.445 -2.199 13.143 1.00 0.00 C ATOM 582 CG GLU A 40 79.258 -2.005 14.649 1.00 0.00 C ATOM 583 CD GLU A 40 80.625 -1.944 15.331 1.00 0.00 C ATOM 584 OE1 GLU A 40 81.612 -1.827 14.624 1.00 0.00 O ATOM 585 OE2 GLU A 40 80.663 -2.012 16.548 1.00 0.00 O ATOM 0 H GLU A 40 78.562 -1.848 10.952 1.00 0.00 H new ATOM 0 HA GLU A 40 79.391 -0.022 13.138 1.00 0.00 H new ATOM 0 HB2 GLU A 40 78.572 -2.694 12.719 1.00 0.00 H new ATOM 0 HB3 GLU A 40 80.302 -2.845 12.953 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.703 -1.087 14.842 1.00 0.00 H new ATOM 0 HG3 GLU A 40 78.671 -2.825 15.062 1.00 0.00 H new ATOM 592 N LEU A 41 81.534 -1.297 11.036 1.00 0.00 N ATOM 593 CA LEU A 41 82.945 -1.142 10.591 1.00 0.00 C ATOM 594 C LEU A 41 83.177 0.291 10.136 1.00 0.00 C ATOM 595 O LEU A 41 84.250 0.836 10.285 1.00 0.00 O ATOM 596 CB LEU A 41 83.115 -2.105 9.417 1.00 0.00 C ATOM 597 CG LEU A 41 84.579 -2.537 9.319 1.00 0.00 C ATOM 598 CD1 LEU A 41 84.937 -3.407 10.524 1.00 0.00 C ATOM 599 CD2 LEU A 41 84.785 -3.337 8.032 1.00 0.00 C ATOM 0 H LEU A 41 80.963 -1.922 10.467 1.00 0.00 H new ATOM 0 HA LEU A 41 83.656 -1.357 11.389 1.00 0.00 H new ATOM 0 HB2 LEU A 41 82.476 -2.977 9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 41 82.804 -1.623 8.490 1.00 0.00 H new ATOM 0 HG LEU A 41 85.220 -1.655 9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 41 85.980 -3.715 10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 41 84.788 -2.837 11.441 1.00 0.00 H new ATOM 0 HD13 LEU A 41 84.299 -4.290 10.538 1.00 0.00 H new ATOM 0 HD21 LEU A 41 85.828 -3.647 7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.145 -4.219 8.045 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.530 -2.716 7.173 1.00 0.00 H new ATOM 611 N PHE A 42 82.171 0.908 9.588 1.00 0.00 N ATOM 612 CA PHE A 42 82.319 2.305 9.129 1.00 0.00 C ATOM 613 C PHE A 42 82.011 3.247 10.289 1.00 0.00 C ATOM 614 O PHE A 42 82.391 4.395 10.290 1.00 0.00 O ATOM 615 CB PHE A 42 81.273 2.454 8.036 1.00 0.00 C ATOM 616 CG PHE A 42 81.732 1.751 6.781 1.00 0.00 C ATOM 617 CD1 PHE A 42 82.023 0.381 6.808 1.00 0.00 C ATOM 618 CD2 PHE A 42 81.862 2.468 5.586 1.00 0.00 C ATOM 619 CE1 PHE A 42 82.440 -0.270 5.643 1.00 0.00 C ATOM 620 CE2 PHE A 42 82.282 1.817 4.422 1.00 0.00 C ATOM 621 CZ PHE A 42 82.569 0.447 4.450 1.00 0.00 C ATOM 0 H PHE A 42 81.249 0.498 9.439 1.00 0.00 H new ATOM 0 HA PHE A 42 83.322 2.538 8.772 1.00 0.00 H new ATOM 0 HB2 PHE A 42 80.324 2.035 8.370 1.00 0.00 H new ATOM 0 HB3 PHE A 42 81.100 3.510 7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 42 81.925 -0.173 7.730 1.00 0.00 H new ATOM 0 HD2 PHE A 42 81.638 3.524 5.563 1.00 0.00 H new ATOM 0 HE1 PHE A 42 82.662 -1.327 5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 42 82.385 2.371 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 42 82.890 -0.056 3.550 1.00 0.00 H new ATOM 631 N ALA A 43 81.318 2.764 11.280 1.00 0.00 N ATOM 632 CA ALA A 43 80.989 3.635 12.443 1.00 0.00 C ATOM 633 C ALA A 43 82.100 3.540 13.487 1.00 0.00 C ATOM 634 O ALA A 43 82.333 4.457 14.249 1.00 0.00 O ATOM 635 CB ALA A 43 79.685 3.079 12.997 1.00 0.00 C ATOM 0 H ALA A 43 80.966 1.808 11.336 1.00 0.00 H new ATOM 0 HA ALA A 43 80.894 4.685 12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 43 79.375 3.669 13.859 1.00 0.00 H new ATOM 0 HB2 ALA A 43 78.913 3.127 12.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 79.831 2.042 13.300 1.00 0.00 H new ATOM 641 N LYS A 44 82.792 2.438 13.518 1.00 0.00 N ATOM 642 CA LYS A 44 83.897 2.278 14.500 1.00 0.00 C ATOM 643 C LYS A 44 85.208 2.724 13.858 1.00 0.00 C ATOM 644 O LYS A 44 86.185 2.995 14.527 1.00 0.00 O ATOM 645 CB LYS A 44 83.933 0.784 14.825 1.00 0.00 C ATOM 646 CG LYS A 44 84.557 0.577 16.206 1.00 0.00 C ATOM 647 CD LYS A 44 84.319 -0.863 16.667 1.00 0.00 C ATOM 648 CE LYS A 44 84.972 -1.832 15.678 1.00 0.00 C ATOM 649 NZ LYS A 44 84.969 -3.149 16.374 1.00 0.00 N ATOM 0 H LYS A 44 82.639 1.638 12.903 1.00 0.00 H new ATOM 0 HA LYS A 44 83.753 2.876 15.400 1.00 0.00 H new ATOM 0 HB2 LYS A 44 82.924 0.372 14.805 1.00 0.00 H new ATOM 0 HB3 LYS A 44 84.510 0.251 14.070 1.00 0.00 H new ATOM 0 HG2 LYS A 44 85.626 0.785 16.168 1.00 0.00 H new ATOM 0 HG3 LYS A 44 84.122 1.275 16.921 1.00 0.00 H new ATOM 0 HD2 LYS A 44 84.734 -1.010 17.664 1.00 0.00 H new ATOM 0 HD3 LYS A 44 83.249 -1.062 16.735 1.00 0.00 H new ATOM 0 HE2 LYS A 44 84.414 -1.878 14.743 1.00 0.00 H new ATOM 0 HE3 LYS A 44 85.986 -1.519 15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 85.402 -3.868 15.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 85.513 -3.076 17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 83.990 -3.424 16.592 1.00 0.00 H new ATOM 663 N ASN A 45 85.225 2.810 12.557 1.00 0.00 N ATOM 664 CA ASN A 45 86.454 3.247 11.851 1.00 0.00 C ATOM 665 C ASN A 45 86.522 4.772 11.841 1.00 0.00 C ATOM 666 O ASN A 45 87.451 5.360 12.357 1.00 0.00 O ATOM 667 CB ASN A 45 86.283 2.719 10.428 1.00 0.00 C ATOM 668 CG ASN A 45 86.909 1.330 10.318 1.00 0.00 C ATOM 669 OD1 ASN A 45 86.489 0.379 11.104 1.00 0.00 O flip ATOM 670 ND2 ASN A 45 87.788 1.108 9.509 1.00 0.00 N flip ATOM 0 H ASN A 45 84.433 2.594 11.952 1.00 0.00 H new ATOM 0 HA ASN A 45 87.367 2.882 12.322 1.00 0.00 H new ATOM 0 HB2 ASN A 45 85.225 2.673 10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 45 86.754 3.399 9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 45 88.116 1.853 8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 45 88.198 0.176 9.444 1.00 0.00 H new ATOM 677 N ASP A 46 85.513 5.388 11.266 1.00 0.00 N ATOM 678 CA ASP A 46 85.412 6.882 11.177 1.00 0.00 C ATOM 679 C ASP A 46 84.714 7.276 9.874 1.00 0.00 C ATOM 680 O ASP A 46 84.986 8.313 9.302 1.00 0.00 O ATOM 681 CB ASP A 46 86.834 7.455 11.179 1.00 0.00 C ATOM 682 CG ASP A 46 87.215 7.884 12.599 1.00 0.00 C ATOM 683 OD1 ASP A 46 86.671 7.319 13.533 1.00 0.00 O ATOM 684 OD2 ASP A 46 88.043 8.771 12.726 1.00 0.00 O ATOM 0 H ASP A 46 84.727 4.897 10.840 1.00 0.00 H new ATOM 0 HA ASP A 46 84.839 7.270 12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 46 87.538 6.708 10.813 1.00 0.00 H new ATOM 0 HB3 ASP A 46 86.894 8.308 10.503 1.00 0.00 H new ATOM 689 N LEU A 47 83.820 6.459 9.399 1.00 0.00 N ATOM 690 CA LEU A 47 83.110 6.784 8.135 1.00 0.00 C ATOM 691 C LEU A 47 81.707 7.303 8.446 1.00 0.00 C ATOM 692 O LEU A 47 81.440 7.798 9.523 1.00 0.00 O ATOM 693 CB LEU A 47 83.041 5.455 7.379 1.00 0.00 C ATOM 694 CG LEU A 47 83.968 5.509 6.165 1.00 0.00 C ATOM 695 CD1 LEU A 47 84.773 4.212 6.079 1.00 0.00 C ATOM 696 CD2 LEU A 47 83.130 5.672 4.894 1.00 0.00 C ATOM 0 H LEU A 47 83.549 5.577 9.834 1.00 0.00 H new ATOM 0 HA LEU A 47 83.613 7.558 7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 47 83.332 4.635 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.017 5.259 7.060 1.00 0.00 H new ATOM 0 HG LEU A 47 84.650 6.354 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 47 85.434 4.251 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 47 85.368 4.092 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.092 3.367 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 47 83.789 5.711 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 47 82.450 4.826 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 47 82.554 6.595 4.954 1.00 0.00 H new ATOM 708 N ALA A 48 80.810 7.187 7.514 1.00 0.00 N ATOM 709 CA ALA A 48 79.421 7.666 7.751 1.00 0.00 C ATOM 710 C ALA A 48 78.478 7.044 6.725 1.00 0.00 C ATOM 711 O ALA A 48 77.784 7.728 5.999 1.00 0.00 O ATOM 712 CB ALA A 48 79.484 9.183 7.586 1.00 0.00 C ATOM 0 H ALA A 48 80.977 6.780 6.594 1.00 0.00 H new ATOM 0 HA ALA A 48 79.047 7.389 8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 48 78.493 9.608 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 48 80.180 9.600 8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 48 79.824 9.426 6.579 1.00 0.00 H new ATOM 718 N VAL A 49 78.456 5.746 6.667 1.00 0.00 N ATOM 719 CA VAL A 49 77.579 5.049 5.711 1.00 0.00 C ATOM 720 C VAL A 49 76.183 5.661 5.728 1.00 0.00 C ATOM 721 O VAL A 49 75.492 5.663 6.728 1.00 0.00 O ATOM 722 CB VAL A 49 77.556 3.607 6.208 1.00 0.00 C ATOM 723 CG1 VAL A 49 78.903 2.943 5.912 1.00 0.00 C ATOM 724 CG2 VAL A 49 77.303 3.590 7.717 1.00 0.00 C ATOM 0 H VAL A 49 79.021 5.133 7.255 1.00 0.00 H new ATOM 0 HA VAL A 49 77.929 5.123 4.681 1.00 0.00 H new ATOM 0 HB VAL A 49 76.761 3.062 5.699 1.00 0.00 H new ATOM 0 HG11 VAL A 49 78.887 1.913 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 49 79.086 2.954 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 49 79.697 3.489 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 49 77.287 2.559 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.098 4.136 8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 49 76.344 4.062 7.931 1.00 0.00 H new ATOM 734 N VAL A 50 75.776 6.176 4.613 1.00 0.00 N ATOM 735 CA VAL A 50 74.421 6.803 4.509 1.00 0.00 C ATOM 736 C VAL A 50 73.423 5.759 4.007 1.00 0.00 C ATOM 737 O VAL A 50 72.266 5.762 4.381 1.00 0.00 O ATOM 738 CB VAL A 50 74.526 7.960 3.487 1.00 0.00 C ATOM 739 CG1 VAL A 50 73.976 9.247 4.099 1.00 0.00 C ATOM 740 CG2 VAL A 50 75.972 8.222 3.084 1.00 0.00 C ATOM 0 H VAL A 50 76.324 6.195 3.753 1.00 0.00 H new ATOM 0 HA VAL A 50 74.084 7.175 5.476 1.00 0.00 H new ATOM 0 HB VAL A 50 73.952 7.666 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 50 74.053 10.057 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 50 72.931 9.103 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 50 74.551 9.501 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 50 76.007 9.041 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 50 76.553 8.489 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 50 76.392 7.324 2.631 1.00 0.00 H new ATOM 750 N ASP A 51 73.861 4.865 3.160 1.00 0.00 N ATOM 751 CA ASP A 51 72.928 3.824 2.636 1.00 0.00 C ATOM 752 C ASP A 51 73.682 2.527 2.329 1.00 0.00 C ATOM 753 O ASP A 51 74.835 2.541 1.950 1.00 0.00 O ATOM 754 CB ASP A 51 72.351 4.424 1.353 1.00 0.00 C ATOM 755 CG ASP A 51 71.768 5.806 1.652 1.00 0.00 C ATOM 756 OD1 ASP A 51 70.633 5.865 2.096 1.00 0.00 O ATOM 757 OD2 ASP A 51 72.466 6.782 1.432 1.00 0.00 O ATOM 0 H ASP A 51 74.818 4.810 2.810 1.00 0.00 H new ATOM 0 HA ASP A 51 72.152 3.570 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 51 73.129 4.503 0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 51 71.577 3.771 0.950 1.00 0.00 H new ATOM 762 N VAL A 52 73.032 1.404 2.483 1.00 0.00 N ATOM 763 CA VAL A 52 73.699 0.101 2.196 1.00 0.00 C ATOM 764 C VAL A 52 72.647 -0.970 1.888 1.00 0.00 C ATOM 765 O VAL A 52 72.001 -1.489 2.776 1.00 0.00 O ATOM 766 CB VAL A 52 74.465 -0.254 3.473 1.00 0.00 C ATOM 767 CG1 VAL A 52 75.227 -1.564 3.259 1.00 0.00 C ATOM 768 CG2 VAL A 52 75.458 0.862 3.803 1.00 0.00 C ATOM 0 H VAL A 52 72.064 1.333 2.796 1.00 0.00 H new ATOM 0 HA VAL A 52 74.361 0.161 1.332 1.00 0.00 H new ATOM 0 HB VAL A 52 73.762 -0.369 4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 52 75.774 -1.819 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 52 74.522 -2.361 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.929 -1.446 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 52 76.002 0.608 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.162 0.978 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 52 74.918 1.797 3.953 1.00 0.00 H new ATOM 778 N ARG A 53 72.467 -1.302 0.639 1.00 0.00 N ATOM 779 CA ARG A 53 71.452 -2.337 0.281 1.00 0.00 C ATOM 780 C ARG A 53 72.140 -3.587 -0.275 1.00 0.00 C ATOM 781 O ARG A 53 73.336 -3.607 -0.485 1.00 0.00 O ATOM 782 CB ARG A 53 70.579 -1.681 -0.790 1.00 0.00 C ATOM 783 CG ARG A 53 69.302 -1.139 -0.146 1.00 0.00 C ATOM 784 CD ARG A 53 69.187 0.362 -0.420 1.00 0.00 C ATOM 785 NE ARG A 53 67.814 0.731 0.022 1.00 0.00 N ATOM 786 CZ ARG A 53 67.023 1.388 -0.783 1.00 0.00 C ATOM 787 NH1 ARG A 53 67.036 1.133 -2.063 1.00 0.00 N ATOM 788 NH2 ARG A 53 66.219 2.298 -0.308 1.00 0.00 N ATOM 0 H ARG A 53 72.977 -0.903 -0.149 1.00 0.00 H new ATOM 0 HA ARG A 53 70.867 -2.657 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 53 71.126 -0.872 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 53 70.329 -2.406 -1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 53 68.432 -1.660 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 53 69.318 -1.323 0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 53 69.943 0.923 0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 53 69.334 0.582 -1.477 1.00 0.00 H new ATOM 0 HE ARG A 53 67.491 0.471 0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 53 67.664 0.420 -2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 53 66.418 1.646 -2.692 1.00 0.00 H new ATOM 0 HH21 ARG A 53 66.208 2.497 0.692 1.00 0.00 H new ATOM 0 HH22 ARG A 53 65.601 2.811 -0.937 1.00 0.00 H new ATOM 802 N THR A 54 71.394 -4.633 -0.508 1.00 0.00 N ATOM 803 CA THR A 54 71.999 -5.882 -1.041 1.00 0.00 C ATOM 804 C THR A 54 72.160 -5.784 -2.561 1.00 0.00 C ATOM 805 O THR A 54 71.829 -4.784 -3.167 1.00 0.00 O ATOM 806 CB THR A 54 71.006 -6.991 -0.678 1.00 0.00 C ATOM 807 OG1 THR A 54 69.998 -7.067 -1.676 1.00 0.00 O ATOM 808 CG2 THR A 54 70.358 -6.708 0.683 1.00 0.00 C ATOM 0 H THR A 54 70.387 -4.674 -0.351 1.00 0.00 H new ATOM 0 HA THR A 54 72.990 -6.070 -0.627 1.00 0.00 H new ATOM 0 HB THR A 54 71.542 -7.938 -0.620 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.363 -7.777 -1.446 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.656 -7.506 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 54 71.130 -6.660 1.451 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.827 -5.757 0.642 1.00 0.00 H new ATOM 816 N GLY A 55 72.668 -6.814 -3.182 1.00 0.00 N ATOM 817 CA GLY A 55 72.853 -6.777 -4.662 1.00 0.00 C ATOM 818 C GLY A 55 72.507 -8.141 -5.266 1.00 0.00 C ATOM 819 O GLY A 55 72.945 -9.170 -4.792 1.00 0.00 O ATOM 0 H GLY A 55 72.963 -7.679 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 55 72.218 -6.005 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 55 73.883 -6.514 -4.902 1.00 0.00 H new ATOM 823 N THR A 56 71.727 -8.153 -6.312 1.00 0.00 N ATOM 824 CA THR A 56 71.353 -9.445 -6.957 1.00 0.00 C ATOM 825 C THR A 56 70.651 -10.368 -5.950 1.00 0.00 C ATOM 826 O THR A 56 69.507 -10.155 -5.603 1.00 0.00 O ATOM 827 CB THR A 56 72.679 -10.047 -7.428 1.00 0.00 C ATOM 828 OG1 THR A 56 73.337 -9.123 -8.283 1.00 0.00 O ATOM 829 CG2 THR A 56 72.410 -11.347 -8.188 1.00 0.00 C ATOM 0 H THR A 56 71.331 -7.321 -6.750 1.00 0.00 H new ATOM 0 HA THR A 56 70.655 -9.309 -7.783 1.00 0.00 H new ATOM 0 HB THR A 56 73.311 -10.259 -6.565 1.00 0.00 H new ATOM 0 HG1 THR A 56 74.293 -9.101 -8.067 1.00 0.00 H new ATOM 0 HG21 THR A 56 73.355 -11.775 -8.523 1.00 0.00 H new ATOM 0 HG22 THR A 56 71.904 -12.054 -7.531 1.00 0.00 H new ATOM 0 HG23 THR A 56 71.779 -11.139 -9.052 1.00 0.00 H new ATOM 837 N ASN A 57 71.316 -11.393 -5.479 1.00 0.00 N ATOM 838 CA ASN A 57 70.662 -12.314 -4.504 1.00 0.00 C ATOM 839 C ASN A 57 71.565 -12.535 -3.287 1.00 0.00 C ATOM 840 O ASN A 57 72.377 -13.437 -3.260 1.00 0.00 O ATOM 841 CB ASN A 57 70.464 -13.624 -5.268 1.00 0.00 C ATOM 842 CG ASN A 57 71.757 -13.994 -5.999 1.00 0.00 C ATOM 843 OD1 ASN A 57 71.796 -13.936 -7.301 1.00 0.00 O flip ATOM 844 ND2 ASN A 57 72.742 -14.341 -5.378 1.00 0.00 N flip ATOM 0 H ASN A 57 72.277 -11.630 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 57 69.721 -11.912 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 57 70.184 -14.420 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 57 69.648 -13.520 -5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 57 72.713 -14.387 -4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 57 73.598 -14.586 -5.875 1.00 0.00 H new ATOM 851 N ARG A 58 71.422 -11.722 -2.277 1.00 0.00 N ATOM 852 CA ARG A 58 72.265 -11.887 -1.059 1.00 0.00 C ATOM 853 C ARG A 58 73.711 -12.203 -1.446 1.00 0.00 C ATOM 854 O ARG A 58 74.423 -12.874 -0.725 1.00 0.00 O ATOM 855 CB ARG A 58 71.643 -13.064 -0.308 1.00 0.00 C ATOM 856 CG ARG A 58 70.184 -12.745 0.022 1.00 0.00 C ATOM 857 CD ARG A 58 69.723 -13.616 1.193 1.00 0.00 C ATOM 858 NE ARG A 58 68.285 -13.892 0.923 1.00 0.00 N ATOM 859 CZ ARG A 58 67.917 -15.065 0.485 1.00 0.00 C ATOM 860 NH1 ARG A 58 68.650 -15.691 -0.395 1.00 0.00 N ATOM 861 NH2 ARG A 58 66.816 -15.611 0.925 1.00 0.00 N ATOM 0 H ARG A 58 70.757 -10.949 -2.242 1.00 0.00 H new ATOM 0 HA ARG A 58 72.294 -10.981 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 58 71.700 -13.968 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 58 72.200 -13.260 0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 58 70.080 -11.690 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 58 69.555 -12.926 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 58 70.299 -14.540 1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 58 69.854 -13.101 2.144 1.00 0.00 H new ATOM 0 HE ARG A 58 67.588 -13.164 1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 58 69.510 -15.263 -0.740 1.00 0.00 H new ATOM 0 HH12 ARG A 58 68.363 -16.608 -0.738 1.00 0.00 H new ATOM 0 HH21 ARG A 58 66.243 -15.121 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 58 66.529 -16.528 0.582 1.00 0.00 H new ATOM 875 N LYS A 59 74.151 -11.727 -2.577 1.00 0.00 N ATOM 876 CA LYS A 59 75.551 -12.003 -3.002 1.00 0.00 C ATOM 877 C LYS A 59 76.371 -10.711 -2.989 1.00 0.00 C ATOM 878 O LYS A 59 77.553 -10.715 -2.708 1.00 0.00 O ATOM 879 CB LYS A 59 75.434 -12.552 -4.424 1.00 0.00 C ATOM 880 CG LYS A 59 76.510 -13.617 -4.652 1.00 0.00 C ATOM 881 CD LYS A 59 75.844 -14.972 -4.894 1.00 0.00 C ATOM 882 CE LYS A 59 76.117 -15.427 -6.329 1.00 0.00 C ATOM 883 NZ LYS A 59 77.523 -15.917 -6.315 1.00 0.00 N ATOM 0 H LYS A 59 73.603 -11.160 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 59 76.054 -12.704 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.444 -12.981 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 59 75.548 -11.744 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.129 -13.346 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.170 -13.674 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 59 76.228 -15.709 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 59 74.770 -14.897 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 59 75.427 -16.215 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 59 75.992 -14.606 -7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 78.042 -15.507 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.981 -15.633 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 77.530 -16.954 -6.392 1.00 0.00 H new ATOM 897 N PHE A 60 75.748 -9.605 -3.285 1.00 0.00 N ATOM 898 CA PHE A 60 76.488 -8.308 -3.285 1.00 0.00 C ATOM 899 C PHE A 60 75.753 -7.305 -2.395 1.00 0.00 C ATOM 900 O PHE A 60 74.930 -7.678 -1.582 1.00 0.00 O ATOM 901 CB PHE A 60 76.497 -7.828 -4.742 1.00 0.00 C ATOM 902 CG PHE A 60 76.593 -9.008 -5.682 1.00 0.00 C ATOM 903 CD1 PHE A 60 77.606 -9.959 -5.511 1.00 0.00 C ATOM 904 CD2 PHE A 60 75.665 -9.152 -6.720 1.00 0.00 C ATOM 905 CE1 PHE A 60 77.691 -11.053 -6.380 1.00 0.00 C ATOM 906 CE2 PHE A 60 75.751 -10.245 -7.589 1.00 0.00 C ATOM 907 CZ PHE A 60 76.764 -11.197 -7.419 1.00 0.00 C ATOM 0 H PHE A 60 74.759 -9.541 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 60 77.503 -8.413 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 60 75.590 -7.261 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 60 77.339 -7.155 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 60 78.321 -9.849 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 60 74.882 -8.419 -6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 60 78.473 -11.787 -6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 60 75.036 -10.355 -8.391 1.00 0.00 H new ATOM 0 HZ PHE A 60 76.830 -12.042 -8.089 1.00 0.00 H new ATOM 917 N GLY A 61 76.036 -6.042 -2.534 1.00 0.00 N ATOM 918 CA GLY A 61 75.340 -5.038 -1.685 1.00 0.00 C ATOM 919 C GLY A 61 75.724 -3.620 -2.106 1.00 0.00 C ATOM 920 O GLY A 61 76.884 -3.298 -2.264 1.00 0.00 O ATOM 0 H GLY A 61 76.715 -5.663 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 61 74.261 -5.168 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 61 75.600 -5.196 -0.638 1.00 0.00 H new ATOM 924 N TYR A 62 74.752 -2.764 -2.270 1.00 0.00 N ATOM 925 CA TYR A 62 75.049 -1.354 -2.658 1.00 0.00 C ATOM 926 C TYR A 62 75.324 -0.540 -1.404 1.00 0.00 C ATOM 927 O TYR A 62 74.933 -0.911 -0.316 1.00 0.00 O ATOM 928 CB TYR A 62 73.784 -0.851 -3.356 1.00 0.00 C ATOM 929 CG TYR A 62 73.942 -0.967 -4.853 1.00 0.00 C ATOM 930 CD1 TYR A 62 74.726 -0.038 -5.549 1.00 0.00 C ATOM 931 CD2 TYR A 62 73.298 -1.998 -5.546 1.00 0.00 C ATOM 932 CE1 TYR A 62 74.866 -0.143 -6.938 1.00 0.00 C ATOM 933 CE2 TYR A 62 73.438 -2.103 -6.935 1.00 0.00 C ATOM 934 CZ TYR A 62 74.223 -1.175 -7.631 1.00 0.00 C ATOM 935 OH TYR A 62 74.362 -1.278 -9.000 1.00 0.00 O ATOM 0 H TYR A 62 73.762 -2.980 -2.152 1.00 0.00 H new ATOM 0 HA TYR A 62 75.921 -1.271 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 62 72.922 -1.431 -3.027 1.00 0.00 H new ATOM 0 HB3 TYR A 62 73.595 0.187 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 62 75.222 0.759 -5.015 1.00 0.00 H new ATOM 0 HD2 TYR A 62 72.693 -2.713 -5.009 1.00 0.00 H new ATOM 0 HE1 TYR A 62 75.471 0.573 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 62 72.941 -2.899 -7.470 1.00 0.00 H new ATOM 0 HH TYR A 62 73.852 -2.050 -9.323 1.00 0.00 H new ATOM 945 N VAL A 63 76.004 0.558 -1.539 1.00 0.00 N ATOM 946 CA VAL A 63 76.310 1.371 -0.339 1.00 0.00 C ATOM 947 C VAL A 63 76.626 2.816 -0.724 1.00 0.00 C ATOM 948 O VAL A 63 77.029 3.109 -1.831 1.00 0.00 O ATOM 949 CB VAL A 63 77.536 0.695 0.266 1.00 0.00 C ATOM 950 CG1 VAL A 63 78.192 1.631 1.268 1.00 0.00 C ATOM 951 CG2 VAL A 63 77.122 -0.596 0.975 1.00 0.00 C ATOM 0 H VAL A 63 76.359 0.925 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 63 75.471 1.420 0.355 1.00 0.00 H new ATOM 0 HB VAL A 63 78.241 0.459 -0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 63 79.068 1.146 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 63 78.496 2.548 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 63 77.483 1.871 2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 63 78.003 -1.074 1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 63 76.412 -0.364 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 63 76.656 -1.272 0.258 1.00 0.00 H new ATOM 961 N ASP A 64 76.444 3.714 0.200 1.00 0.00 N ATOM 962 CA ASP A 64 76.721 5.146 -0.064 1.00 0.00 C ATOM 963 C ASP A 64 77.330 5.783 1.180 1.00 0.00 C ATOM 964 O ASP A 64 76.965 5.453 2.293 1.00 0.00 O ATOM 965 CB ASP A 64 75.356 5.758 -0.338 1.00 0.00 C ATOM 966 CG ASP A 64 74.752 5.136 -1.598 1.00 0.00 C ATOM 967 OD1 ASP A 64 75.514 4.755 -2.469 1.00 0.00 O ATOM 968 OD2 ASP A 64 73.537 5.051 -1.668 1.00 0.00 O ATOM 0 H ASP A 64 76.109 3.510 1.142 1.00 0.00 H new ATOM 0 HA ASP A 64 77.416 5.294 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 64 74.695 5.592 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 64 75.450 6.837 -0.463 1.00 0.00 H new ATOM 973 N PHE A 65 78.232 6.705 1.006 1.00 0.00 N ATOM 974 CA PHE A 65 78.841 7.375 2.182 1.00 0.00 C ATOM 975 C PHE A 65 78.450 8.851 2.171 1.00 0.00 C ATOM 976 O PHE A 65 77.630 9.264 1.377 1.00 0.00 O ATOM 977 CB PHE A 65 80.341 7.180 2.032 1.00 0.00 C ATOM 978 CG PHE A 65 80.641 5.712 1.871 1.00 0.00 C ATOM 979 CD1 PHE A 65 80.116 4.792 2.784 1.00 0.00 C ATOM 980 CD2 PHE A 65 81.445 5.271 0.813 1.00 0.00 C ATOM 981 CE1 PHE A 65 80.396 3.429 2.643 1.00 0.00 C ATOM 982 CE2 PHE A 65 81.724 3.907 0.671 1.00 0.00 C ATOM 983 CZ PHE A 65 81.200 2.987 1.587 1.00 0.00 C ATOM 0 H PHE A 65 78.573 7.023 0.099 1.00 0.00 H new ATOM 0 HA PHE A 65 78.502 6.965 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 65 80.706 7.734 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 65 80.859 7.575 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 65 79.494 5.134 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 65 81.849 5.982 0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 65 79.992 2.718 3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 65 82.343 3.564 -0.145 1.00 0.00 H new ATOM 0 HZ PHE A 65 81.417 1.935 1.478 1.00 0.00 H new ATOM 993 N GLU A 66 78.963 9.646 3.064 1.00 0.00 N ATOM 994 CA GLU A 66 78.514 11.065 3.089 1.00 0.00 C ATOM 995 C GLU A 66 79.672 12.071 3.176 1.00 0.00 C ATOM 996 O GLU A 66 79.510 13.145 3.722 1.00 0.00 O ATOM 997 CB GLU A 66 77.649 11.138 4.346 1.00 0.00 C ATOM 998 CG GLU A 66 78.529 11.322 5.585 1.00 0.00 C ATOM 999 CD GLU A 66 78.465 12.779 6.046 1.00 0.00 C ATOM 1000 OE1 GLU A 66 77.387 13.347 6.006 1.00 0.00 O ATOM 1001 OE2 GLU A 66 79.499 13.303 6.431 1.00 0.00 O ATOM 0 H GLU A 66 79.658 9.385 3.763 1.00 0.00 H new ATOM 0 HA GLU A 66 77.993 11.332 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 76.946 11.967 4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.058 10.227 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 66 78.192 10.662 6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 66 79.559 11.047 5.357 1.00 0.00 H new ATOM 1008 N SER A 67 80.827 11.764 2.659 1.00 0.00 N ATOM 1009 CA SER A 67 81.938 12.762 2.756 1.00 0.00 C ATOM 1010 C SER A 67 83.140 12.403 1.896 1.00 0.00 C ATOM 1011 O SER A 67 83.253 11.330 1.336 1.00 0.00 O ATOM 1012 CB SER A 67 82.366 12.752 4.218 1.00 0.00 C ATOM 1013 OG SER A 67 82.579 11.410 4.636 1.00 0.00 O ATOM 0 H SER A 67 81.052 10.890 2.184 1.00 0.00 H new ATOM 0 HA SER A 67 81.587 13.732 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 67 83.279 13.334 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 67 81.600 13.220 4.836 1.00 0.00 H new ATOM 0 HG SER A 67 82.856 11.400 5.576 1.00 0.00 H new ATOM 1019 N ALA A 68 84.067 13.308 1.851 1.00 0.00 N ATOM 1020 CA ALA A 68 85.322 13.077 1.101 1.00 0.00 C ATOM 1021 C ALA A 68 86.184 12.171 1.952 1.00 0.00 C ATOM 1022 O ALA A 68 87.004 11.412 1.474 1.00 0.00 O ATOM 1023 CB ALA A 68 85.964 14.454 0.999 1.00 0.00 C ATOM 0 H ALA A 68 84.006 14.216 2.312 1.00 0.00 H new ATOM 0 HA ALA A 68 85.181 12.625 0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 68 86.905 14.377 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 68 85.293 15.130 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 68 86.154 14.842 2.000 1.00 0.00 H new ATOM 1029 N GLU A 69 85.973 12.257 3.229 1.00 0.00 N ATOM 1030 CA GLU A 69 86.732 11.423 4.177 1.00 0.00 C ATOM 1031 C GLU A 69 86.235 9.983 4.077 1.00 0.00 C ATOM 1032 O GLU A 69 86.978 9.040 4.279 1.00 0.00 O ATOM 1033 CB GLU A 69 86.412 12.036 5.533 1.00 0.00 C ATOM 1034 CG GLU A 69 87.702 12.193 6.336 1.00 0.00 C ATOM 1035 CD GLU A 69 87.625 11.345 7.605 1.00 0.00 C ATOM 1036 OE1 GLU A 69 86.542 11.235 8.157 1.00 0.00 O ATOM 1037 OE2 GLU A 69 88.651 10.819 8.006 1.00 0.00 O ATOM 0 H GLU A 69 85.293 12.883 3.660 1.00 0.00 H new ATOM 0 HA GLU A 69 87.806 11.397 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.932 13.006 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 69 85.709 11.403 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 69 88.557 11.886 5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 69 87.855 13.241 6.596 1.00 0.00 H new ATOM 1044 N ASP A 70 84.992 9.805 3.721 1.00 0.00 N ATOM 1045 CA ASP A 70 84.465 8.433 3.560 1.00 0.00 C ATOM 1046 C ASP A 70 84.995 7.907 2.244 1.00 0.00 C ATOM 1047 O ASP A 70 85.265 6.735 2.078 1.00 0.00 O ATOM 1048 CB ASP A 70 82.934 8.582 3.534 1.00 0.00 C ATOM 1049 CG ASP A 70 82.429 8.959 2.129 1.00 0.00 C ATOM 1050 OD1 ASP A 70 82.804 8.314 1.177 1.00 0.00 O ATOM 1051 OD2 ASP A 70 81.632 9.852 2.039 1.00 0.00 O ATOM 0 H ASP A 70 84.324 10.554 3.536 1.00 0.00 H new ATOM 0 HA ASP A 70 84.759 7.744 4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 70 82.471 7.647 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 70 82.629 9.346 4.249 1.00 0.00 H new ATOM 1056 N LEU A 71 85.144 8.796 1.306 1.00 0.00 N ATOM 1057 CA LEU A 71 85.658 8.400 -0.018 1.00 0.00 C ATOM 1058 C LEU A 71 87.078 7.848 0.143 1.00 0.00 C ATOM 1059 O LEU A 71 87.427 6.825 -0.414 1.00 0.00 O ATOM 1060 CB LEU A 71 85.625 9.695 -0.838 1.00 0.00 C ATOM 1061 CG LEU A 71 86.731 9.684 -1.898 1.00 0.00 C ATOM 1062 CD1 LEU A 71 86.181 10.228 -3.217 1.00 0.00 C ATOM 1063 CD2 LEU A 71 87.892 10.564 -1.431 1.00 0.00 C ATOM 0 H LEU A 71 84.928 9.788 1.407 1.00 0.00 H new ATOM 0 HA LEU A 71 85.078 7.616 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 71 84.653 9.804 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 71 85.753 10.554 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 71 87.082 8.663 -2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 71 86.969 10.220 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 71 85.353 9.603 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 71 85.829 11.249 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 71 88.680 10.557 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 71 87.539 11.585 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 71 88.286 10.178 -0.491 1.00 0.00 H new ATOM 1075 N GLU A 72 87.891 8.506 0.926 1.00 0.00 N ATOM 1076 CA GLU A 72 89.278 8.005 1.145 1.00 0.00 C ATOM 1077 C GLU A 72 89.215 6.676 1.899 1.00 0.00 C ATOM 1078 O GLU A 72 89.981 5.761 1.650 1.00 0.00 O ATOM 1079 CB GLU A 72 89.964 9.078 1.991 1.00 0.00 C ATOM 1080 CG GLU A 72 91.358 9.361 1.427 1.00 0.00 C ATOM 1081 CD GLU A 72 91.950 10.589 2.119 1.00 0.00 C ATOM 1082 OE1 GLU A 72 91.571 11.690 1.754 1.00 0.00 O ATOM 1083 OE2 GLU A 72 92.772 10.408 3.002 1.00 0.00 O ATOM 0 H GLU A 72 87.655 9.366 1.422 1.00 0.00 H new ATOM 0 HA GLU A 72 89.819 7.830 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.368 9.991 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 72 90.040 8.746 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 72 92.005 8.497 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 72 91.299 9.530 0.352 1.00 0.00 H new ATOM 1090 N LYS A 73 88.272 6.547 2.793 1.00 0.00 N ATOM 1091 CA LYS A 73 88.127 5.271 3.531 1.00 0.00 C ATOM 1092 C LYS A 73 87.420 4.293 2.609 1.00 0.00 C ATOM 1093 O LYS A 73 87.512 3.090 2.756 1.00 0.00 O ATOM 1094 CB LYS A 73 87.263 5.602 4.750 1.00 0.00 C ATOM 1095 CG LYS A 73 88.046 6.517 5.695 1.00 0.00 C ATOM 1096 CD LYS A 73 87.448 6.433 7.100 1.00 0.00 C ATOM 1097 CE LYS A 73 88.577 6.330 8.129 1.00 0.00 C ATOM 1098 NZ LYS A 73 88.456 4.959 8.697 1.00 0.00 N ATOM 0 H LYS A 73 87.599 7.272 3.040 1.00 0.00 H new ATOM 0 HA LYS A 73 89.073 4.831 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 73 86.341 6.090 4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 73 86.978 4.686 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 73 89.095 6.222 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 73 88.011 7.545 5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 73 86.838 7.314 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 73 86.792 5.566 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 73 89.551 6.480 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 73 88.475 7.089 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 88.109 5.018 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 87.787 4.404 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 89.387 4.496 8.687 1.00 0.00 H new ATOM 1112 N ALA A 74 86.730 4.817 1.631 1.00 0.00 N ATOM 1113 CA ALA A 74 86.034 3.938 0.672 1.00 0.00 C ATOM 1114 C ALA A 74 87.086 3.227 -0.175 1.00 0.00 C ATOM 1115 O ALA A 74 86.900 2.112 -0.622 1.00 0.00 O ATOM 1116 CB ALA A 74 85.171 4.865 -0.185 1.00 0.00 C ATOM 0 H ALA A 74 86.624 5.817 1.462 1.00 0.00 H new ATOM 0 HA ALA A 74 85.418 3.178 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 74 84.625 4.276 -0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 74 84.464 5.396 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 74 85.809 5.585 -0.698 1.00 0.00 H new ATOM 1122 N LEU A 75 88.209 3.865 -0.370 1.00 0.00 N ATOM 1123 CA LEU A 75 89.302 3.235 -1.154 1.00 0.00 C ATOM 1124 C LEU A 75 90.001 2.207 -0.267 1.00 0.00 C ATOM 1125 O LEU A 75 90.255 1.090 -0.671 1.00 0.00 O ATOM 1126 CB LEU A 75 90.251 4.380 -1.509 1.00 0.00 C ATOM 1127 CG LEU A 75 91.550 3.808 -2.077 1.00 0.00 C ATOM 1128 CD1 LEU A 75 92.209 4.845 -2.988 1.00 0.00 C ATOM 1129 CD2 LEU A 75 92.500 3.462 -0.928 1.00 0.00 C ATOM 0 H LEU A 75 88.414 4.800 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 75 88.952 2.724 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 75 89.783 5.042 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 75 90.462 4.980 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 75 91.330 2.908 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 75 93.135 4.437 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 75 91.533 5.092 -3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 75 92.429 5.745 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 75 93.426 3.054 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 75 92.720 4.362 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 75 92.031 2.723 -0.278 1.00 0.00 H new ATOM 1141 N GLU A 76 90.295 2.577 0.952 1.00 0.00 N ATOM 1142 CA GLU A 76 90.956 1.614 1.877 1.00 0.00 C ATOM 1143 C GLU A 76 89.953 0.532 2.298 1.00 0.00 C ATOM 1144 O GLU A 76 90.297 -0.435 2.949 1.00 0.00 O ATOM 1145 CB GLU A 76 91.384 2.451 3.083 1.00 0.00 C ATOM 1146 CG GLU A 76 92.607 1.811 3.742 1.00 0.00 C ATOM 1147 CD GLU A 76 93.366 2.869 4.545 1.00 0.00 C ATOM 1148 OE1 GLU A 76 92.749 3.848 4.930 1.00 0.00 O ATOM 1149 OE2 GLU A 76 94.553 2.680 4.762 1.00 0.00 O ATOM 0 H GLU A 76 90.107 3.500 1.344 1.00 0.00 H new ATOM 0 HA GLU A 76 91.805 1.107 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 76 91.618 3.468 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 76 90.566 2.520 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 76 92.296 0.996 4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 76 93.258 1.379 2.982 1.00 0.00 H new ATOM 1156 N LEU A 77 88.712 0.698 1.925 1.00 0.00 N ATOM 1157 CA LEU A 77 87.662 -0.302 2.287 1.00 0.00 C ATOM 1158 C LEU A 77 88.025 -1.694 1.767 1.00 0.00 C ATOM 1159 O LEU A 77 87.427 -2.683 2.145 1.00 0.00 O ATOM 1160 CB LEU A 77 86.412 0.201 1.579 1.00 0.00 C ATOM 1161 CG LEU A 77 85.228 0.165 2.536 1.00 0.00 C ATOM 1162 CD1 LEU A 77 84.183 1.168 2.055 1.00 0.00 C ATOM 1163 CD2 LEU A 77 84.625 -1.241 2.548 1.00 0.00 C ATOM 0 H LEU A 77 88.376 1.492 1.379 1.00 0.00 H new ATOM 0 HA LEU A 77 87.540 -0.394 3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 77 86.570 1.218 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 77 86.204 -0.417 0.705 1.00 0.00 H new ATOM 0 HG LEU A 77 85.553 0.422 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 77 83.328 1.154 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 77 84.618 2.167 2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 77 83.856 0.899 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 77 83.777 -1.268 3.233 1.00 0.00 H new ATOM 0 HD22 LEU A 77 84.289 -1.501 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 77 85.379 -1.957 2.875 1.00 0.00 H new ATOM 1175 N THR A 78 88.986 -1.779 0.893 1.00 0.00 N ATOM 1176 CA THR A 78 89.378 -3.108 0.331 1.00 0.00 C ATOM 1177 C THR A 78 90.053 -3.993 1.382 1.00 0.00 C ATOM 1178 O THR A 78 90.495 -5.088 1.095 1.00 0.00 O ATOM 1179 CB THR A 78 90.348 -2.790 -0.804 1.00 0.00 C ATOM 1180 OG1 THR A 78 89.732 -1.886 -1.712 1.00 0.00 O ATOM 1181 CG2 THR A 78 90.721 -4.079 -1.537 1.00 0.00 C ATOM 0 H THR A 78 89.521 -0.986 0.540 1.00 0.00 H new ATOM 0 HA THR A 78 88.505 -3.664 -0.011 1.00 0.00 H new ATOM 0 HB THR A 78 91.250 -2.336 -0.394 1.00 0.00 H new ATOM 0 HG1 THR A 78 89.907 -0.965 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 78 91.414 -3.850 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 78 91.194 -4.770 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 78 89.821 -4.537 -1.948 1.00 0.00 H new ATOM 1189 N GLY A 79 90.128 -3.535 2.590 1.00 0.00 N ATOM 1190 CA GLY A 79 90.762 -4.350 3.664 1.00 0.00 C ATOM 1191 C GLY A 79 89.715 -4.687 4.729 1.00 0.00 C ATOM 1192 O GLY A 79 90.034 -5.166 5.798 1.00 0.00 O ATOM 0 H GLY A 79 89.777 -2.625 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 79 91.178 -5.266 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.590 -3.801 4.112 1.00 0.00 H new ATOM 1196 N LEU A 80 88.465 -4.431 4.445 1.00 0.00 N ATOM 1197 CA LEU A 80 87.395 -4.724 5.433 1.00 0.00 C ATOM 1198 C LEU A 80 86.730 -6.067 5.127 1.00 0.00 C ATOM 1199 O LEU A 80 86.046 -6.222 4.134 1.00 0.00 O ATOM 1200 CB LEU A 80 86.400 -3.589 5.249 1.00 0.00 C ATOM 1201 CG LEU A 80 87.015 -2.280 5.744 1.00 0.00 C ATOM 1202 CD1 LEU A 80 85.970 -1.164 5.669 1.00 0.00 C ATOM 1203 CD2 LEU A 80 87.477 -2.449 7.194 1.00 0.00 C ATOM 0 H LEU A 80 88.141 -4.029 3.565 1.00 0.00 H new ATOM 0 HA LEU A 80 87.776 -4.792 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 80 86.127 -3.499 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.484 -3.803 5.799 1.00 0.00 H new ATOM 0 HG LEU A 80 87.869 -2.021 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 80 86.409 -0.231 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 80 85.641 -1.043 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 80 85.116 -1.423 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 80 87.916 -1.516 7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 80 86.623 -2.709 7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 80 88.222 -3.243 7.248 1.00 0.00 H new ATOM 1215 N LYS A 81 86.918 -7.031 5.980 1.00 0.00 N ATOM 1216 CA LYS A 81 86.294 -8.368 5.755 1.00 0.00 C ATOM 1217 C LYS A 81 84.911 -8.412 6.369 1.00 0.00 C ATOM 1218 O LYS A 81 84.700 -8.927 7.450 1.00 0.00 O ATOM 1219 CB LYS A 81 87.174 -9.342 6.478 1.00 0.00 C ATOM 1220 CG LYS A 81 88.117 -10.029 5.491 1.00 0.00 C ATOM 1221 CD LYS A 81 89.476 -10.255 6.154 1.00 0.00 C ATOM 1222 CE LYS A 81 90.591 -9.938 5.154 1.00 0.00 C ATOM 1223 NZ LYS A 81 90.676 -8.452 5.132 1.00 0.00 N ATOM 0 H LYS A 81 87.479 -6.953 6.828 1.00 0.00 H new ATOM 0 HA LYS A 81 86.200 -8.590 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 81 87.751 -8.824 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 81 86.563 -10.087 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 81 87.694 -10.981 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 81 88.234 -9.416 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 81 89.572 -9.621 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 81 89.560 -11.287 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 81 91.537 -10.383 5.463 1.00 0.00 H new ATOM 0 HE3 LYS A 81 90.360 -10.335 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 90.606 -8.115 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 89.897 -8.051 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 91.585 -8.150 5.537 1.00 0.00 H new ATOM 1237 N VAL A 82 83.981 -7.881 5.681 1.00 0.00 N ATOM 1238 CA VAL A 82 82.581 -7.877 6.192 1.00 0.00 C ATOM 1239 C VAL A 82 82.234 -9.273 6.720 1.00 0.00 C ATOM 1240 O VAL A 82 82.393 -10.261 6.032 1.00 0.00 O ATOM 1241 CB VAL A 82 81.703 -7.495 4.993 1.00 0.00 C ATOM 1242 CG1 VAL A 82 81.338 -8.740 4.178 1.00 0.00 C ATOM 1243 CG2 VAL A 82 80.419 -6.831 5.496 1.00 0.00 C ATOM 0 H VAL A 82 84.111 -7.438 4.771 1.00 0.00 H new ATOM 0 HA VAL A 82 82.433 -7.176 7.014 1.00 0.00 H new ATOM 0 HB VAL A 82 82.258 -6.805 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 82 80.715 -8.451 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 82 82.248 -9.216 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 82 80.791 -9.440 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 82 79.793 -6.559 4.646 1.00 0.00 H new ATOM 0 HG22 VAL A 82 79.877 -7.526 6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 82 80.671 -5.935 6.063 1.00 0.00 H new ATOM 1253 N PHE A 83 81.770 -9.364 7.933 1.00 0.00 N ATOM 1254 CA PHE A 83 81.426 -10.698 8.499 1.00 0.00 C ATOM 1255 C PHE A 83 82.497 -11.735 8.131 1.00 0.00 C ATOM 1256 O PHE A 83 82.230 -12.919 8.079 1.00 0.00 O ATOM 1257 CB PHE A 83 80.084 -11.061 7.867 1.00 0.00 C ATOM 1258 CG PHE A 83 78.994 -10.894 8.895 1.00 0.00 C ATOM 1259 CD1 PHE A 83 78.476 -9.622 9.164 1.00 0.00 C ATOM 1260 CD2 PHE A 83 78.507 -12.010 9.583 1.00 0.00 C ATOM 1261 CE1 PHE A 83 77.468 -9.467 10.124 1.00 0.00 C ATOM 1262 CE2 PHE A 83 77.500 -11.855 10.544 1.00 0.00 C ATOM 1263 CZ PHE A 83 76.980 -10.583 10.813 1.00 0.00 C ATOM 0 H PHE A 83 81.614 -8.573 8.558 1.00 0.00 H new ATOM 0 HA PHE A 83 81.374 -10.680 9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 83 79.889 -10.423 7.005 1.00 0.00 H new ATOM 0 HB3 PHE A 83 80.105 -12.089 7.504 1.00 0.00 H new ATOM 0 HD1 PHE A 83 78.853 -8.761 8.632 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.907 -12.991 9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 83 77.067 -8.486 10.333 1.00 0.00 H new ATOM 0 HE2 PHE A 83 77.125 -12.716 11.077 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.202 -10.463 11.552 1.00 0.00 H new ATOM 1273 N GLY A 84 83.706 -11.305 7.878 1.00 0.00 N ATOM 1274 CA GLY A 84 84.781 -12.276 7.522 1.00 0.00 C ATOM 1275 C GLY A 84 84.933 -12.342 6.001 1.00 0.00 C ATOM 1276 O GLY A 84 85.508 -13.270 5.466 1.00 0.00 O ATOM 0 H GLY A 84 83.994 -10.327 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 84 85.723 -11.973 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 84 84.538 -13.263 7.916 1.00 0.00 H new ATOM 1280 N ASN A 85 84.427 -11.366 5.301 1.00 0.00 N ATOM 1281 CA ASN A 85 84.547 -11.374 3.814 1.00 0.00 C ATOM 1282 C ASN A 85 85.001 -10.000 3.316 1.00 0.00 C ATOM 1283 O ASN A 85 84.267 -9.034 3.378 1.00 0.00 O ATOM 1284 CB ASN A 85 83.142 -11.698 3.303 1.00 0.00 C ATOM 1285 CG ASN A 85 82.831 -13.173 3.568 1.00 0.00 C ATOM 1286 OD1 ASN A 85 81.623 -13.620 3.351 1.00 0.00 O flip ATOM 1287 ND2 ASN A 85 83.692 -13.925 3.975 1.00 0.00 N flip ATOM 0 H ASN A 85 83.935 -10.563 5.693 1.00 0.00 H new ATOM 0 HA ASN A 85 85.282 -12.098 3.461 1.00 0.00 H new ATOM 0 HB2 ASN A 85 82.407 -11.065 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 85 83.074 -11.487 2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 85 84.635 -13.576 4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 85 83.472 -14.906 4.148 1.00 0.00 H new ATOM 1294 N GLU A 86 86.204 -9.904 2.823 1.00 0.00 N ATOM 1295 CA GLU A 86 86.704 -8.592 2.320 1.00 0.00 C ATOM 1296 C GLU A 86 85.765 -8.051 1.243 1.00 0.00 C ATOM 1297 O GLU A 86 85.987 -8.233 0.062 1.00 0.00 O ATOM 1298 CB GLU A 86 88.082 -8.895 1.741 1.00 0.00 C ATOM 1299 CG GLU A 86 88.525 -7.748 0.831 1.00 0.00 C ATOM 1300 CD GLU A 86 88.480 -8.205 -0.628 1.00 0.00 C ATOM 1301 OE1 GLU A 86 88.555 -9.401 -0.856 1.00 0.00 O ATOM 1302 OE2 GLU A 86 88.371 -7.352 -1.493 1.00 0.00 O ATOM 0 H GLU A 86 86.864 -10.678 2.746 1.00 0.00 H new ATOM 0 HA GLU A 86 86.752 -7.834 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 86 88.803 -9.031 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 86 88.053 -9.828 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.874 -6.885 0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 86 89.535 -7.432 1.093 1.00 0.00 H new ATOM 1309 N ILE A 87 84.709 -7.398 1.648 1.00 0.00 N ATOM 1310 CA ILE A 87 83.740 -6.850 0.660 1.00 0.00 C ATOM 1311 C ILE A 87 84.469 -6.279 -0.554 1.00 0.00 C ATOM 1312 O ILE A 87 85.594 -5.826 -0.473 1.00 0.00 O ATOM 1313 CB ILE A 87 82.959 -5.741 1.385 1.00 0.00 C ATOM 1314 CG1 ILE A 87 83.855 -5.013 2.398 1.00 0.00 C ATOM 1315 CG2 ILE A 87 81.770 -6.358 2.118 1.00 0.00 C ATOM 1316 CD1 ILE A 87 85.179 -4.626 1.739 1.00 0.00 C ATOM 0 H ILE A 87 84.476 -7.221 2.625 1.00 0.00 H new ATOM 0 HA ILE A 87 83.073 -7.631 0.295 1.00 0.00 H new ATOM 0 HB ILE A 87 82.613 -5.020 0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 87 83.349 -4.121 2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.041 -5.655 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.214 -5.575 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.117 -6.854 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 87 82.129 -7.086 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 87 85.809 -4.110 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 87 85.688 -5.524 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 87 84.985 -3.967 0.893 1.00 0.00 H new ATOM 1328 N LYS A 88 83.823 -6.303 -1.676 1.00 0.00 N ATOM 1329 CA LYS A 88 84.446 -5.763 -2.915 1.00 0.00 C ATOM 1330 C LYS A 88 83.596 -4.610 -3.447 1.00 0.00 C ATOM 1331 O LYS A 88 82.424 -4.507 -3.148 1.00 0.00 O ATOM 1332 CB LYS A 88 84.448 -6.932 -3.902 1.00 0.00 C ATOM 1333 CG LYS A 88 84.705 -6.407 -5.315 1.00 0.00 C ATOM 1334 CD LYS A 88 85.125 -7.565 -6.221 1.00 0.00 C ATOM 1335 CE LYS A 88 83.988 -8.586 -6.306 1.00 0.00 C ATOM 1336 NZ LYS A 88 84.489 -9.642 -7.228 1.00 0.00 N ATOM 0 H LYS A 88 82.881 -6.676 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 88 85.452 -5.378 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 88 85.217 -7.654 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 88 83.492 -7.454 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 88 83.806 -5.932 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 88 85.485 -5.646 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 88 85.368 -7.192 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 88 86.025 -8.039 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 88 83.753 -8.998 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 88 83.075 -8.129 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 83.764 -10.380 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 84.698 -9.222 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 85.355 -10.063 -6.835 1.00 0.00 H new ATOM 1350 N LEU A 89 84.173 -3.740 -4.222 1.00 0.00 N ATOM 1351 CA LEU A 89 83.390 -2.596 -4.757 1.00 0.00 C ATOM 1352 C LEU A 89 83.219 -2.728 -6.269 1.00 0.00 C ATOM 1353 O LEU A 89 83.701 -3.657 -6.885 1.00 0.00 O ATOM 1354 CB LEU A 89 84.230 -1.368 -4.424 1.00 0.00 C ATOM 1355 CG LEU A 89 83.993 -0.958 -2.970 1.00 0.00 C ATOM 1356 CD1 LEU A 89 84.944 -1.736 -2.059 1.00 0.00 C ATOM 1357 CD2 LEU A 89 84.255 0.542 -2.816 1.00 0.00 C ATOM 0 H LEU A 89 85.152 -3.771 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 89 82.388 -2.543 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.286 -1.585 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 89 83.969 -0.546 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 89 82.962 -1.179 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 89 84.775 -1.444 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.761 -2.805 -2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.975 -1.515 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.087 0.836 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.286 0.761 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 89 83.579 1.098 -3.466 1.00 0.00 H new ATOM 1369 N GLU A 90 82.533 -1.797 -6.864 1.00 0.00 N ATOM 1370 CA GLU A 90 82.320 -1.846 -8.338 1.00 0.00 C ATOM 1371 C GLU A 90 81.696 -0.533 -8.819 1.00 0.00 C ATOM 1372 O GLU A 90 81.144 0.222 -8.042 1.00 0.00 O ATOM 1373 CB GLU A 90 81.360 -3.014 -8.564 1.00 0.00 C ATOM 1374 CG GLU A 90 81.624 -3.635 -9.937 1.00 0.00 C ATOM 1375 CD GLU A 90 80.537 -3.190 -10.916 1.00 0.00 C ATOM 1376 OE1 GLU A 90 80.406 -1.995 -11.122 1.00 0.00 O ATOM 1377 OE2 GLU A 90 79.853 -4.052 -11.444 1.00 0.00 O ATOM 0 H GLU A 90 82.107 -0.999 -6.392 1.00 0.00 H new ATOM 0 HA GLU A 90 83.252 -1.978 -8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 90 81.492 -3.763 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.328 -2.668 -8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 90 82.605 -3.331 -10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 90 81.636 -4.722 -9.860 1.00 0.00 H new