USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 722 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 65 ASN : amide:sc= -0.651 X(o=-3.7,f=-3.3!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -3.08 K(o=-3.7,f=-7.9!) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.718 K(o=-0.72,f=-0.13) USER MOD Set 3.1: A 83 TYR OH : rot 180:sc=-0.000623 USER MOD Set 3.2: A 101 TYR OH : rot 156:sc= 0.0368 USER MOD Single : A 21 THR OG1 : rot 34:sc= 0.404 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00831) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 80:sc= -2.55! USER MOD Single : A 48 SER OG : rot 18:sc= -0.639 USER MOD Single : A 52 THR OG1 : rot 150:sc=-0.00667 USER MOD Single : A 53 GLN : amide:sc= -0.822 K(o=-0.82,f=-0.32) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= 0.0342 (180deg=-0.195) USER MOD Single : A 62 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 67 SER OG : rot 149:sc= 1.27 USER MOD Single : A 70 SER OG : rot 21:sc= 0.122 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 26:sc= -0.887 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -174:sc= -1.58! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 138:sc= -0.115 (180deg=-1.56!) USER MOD Single : A 100 THR OG1 : rot 28:sc= 0.0268 USER MOD Single : A 108 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.079) USER MOD Single : A 109 SER OG : rot 58:sc= -1.79! USER MOD Single : A 112 LYS NZ :NH3+ -154:sc= -0.0583 (180deg=-1) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.374 USER MOD ----------------------------------------------------------------- ATOM 244 N VAL A 19 0.807 20.690 1.473 1.00 0.00 N ATOM 245 CA VAL A 19 1.264 19.826 0.391 1.00 0.00 C ATOM 246 C VAL A 19 0.089 19.286 -0.415 1.00 0.00 C ATOM 247 O VAL A 19 -1.045 19.259 0.063 1.00 0.00 O ATOM 248 CB VAL A 19 2.091 18.643 0.929 1.00 0.00 C ATOM 249 CG1 VAL A 19 1.186 17.624 1.606 1.00 0.00 C ATOM 250 CG2 VAL A 19 2.889 17.997 -0.193 1.00 0.00 C ATOM 0 HA VAL A 19 1.894 20.436 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 19 2.793 19.021 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.787 16.795 1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.663 18.097 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.458 17.249 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.467 17.163 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.207 17.632 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.565 18.732 -0.629 1.00 0.00 H new ATOM 260 N ASP A 20 0.367 18.857 -1.641 1.00 0.00 N ATOM 261 CA ASP A 20 -0.667 18.316 -2.515 1.00 0.00 C ATOM 262 C ASP A 20 -0.801 16.808 -2.330 1.00 0.00 C ATOM 263 O ASP A 20 -1.843 16.314 -1.897 1.00 0.00 O ATOM 264 CB ASP A 20 -0.349 18.636 -3.977 1.00 0.00 C ATOM 265 CG ASP A 20 1.118 18.444 -4.305 1.00 0.00 C ATOM 266 OD1 ASP A 20 1.903 19.392 -4.091 1.00 0.00 O ATOM 267 OD2 ASP A 20 1.482 17.347 -4.778 1.00 0.00 O ATOM 0 H ASP A 20 1.300 18.873 -2.052 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.615 18.783 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.950 17.998 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.634 19.666 -4.191 1.00 0.00 H new ATOM 272 N THR A 21 0.261 16.079 -2.661 1.00 0.00 N ATOM 273 CA THR A 21 0.262 14.628 -2.533 1.00 0.00 C ATOM 274 C THR A 21 -0.983 14.019 -3.167 1.00 0.00 C ATOM 275 O THR A 21 -1.553 13.061 -2.644 1.00 0.00 O ATOM 276 CB THR A 21 0.337 14.194 -1.057 1.00 0.00 C ATOM 277 OG1 THR A 21 -0.670 14.870 -0.296 1.00 0.00 O ATOM 278 CG2 THR A 21 1.709 14.496 -0.473 1.00 0.00 C ATOM 0 H THR A 21 1.132 16.471 -3.020 1.00 0.00 H new ATOM 0 HA THR A 21 1.147 14.266 -3.056 1.00 0.00 H new ATOM 0 HB THR A 21 0.168 13.118 -1.009 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.469 14.997 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.738 14.181 0.570 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.471 13.957 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.903 15.567 -0.534 1.00 0.00 H new ATOM 286 N SER A 22 -1.401 14.580 -4.298 1.00 0.00 N ATOM 287 CA SER A 22 -2.581 14.094 -5.002 1.00 0.00 C ATOM 288 C SER A 22 -2.189 13.381 -6.292 1.00 0.00 C ATOM 289 O SER A 22 -3.039 12.839 -6.998 1.00 0.00 O ATOM 290 CB SER A 22 -3.529 15.254 -5.315 1.00 0.00 C ATOM 291 OG SER A 22 -4.476 15.433 -4.276 1.00 0.00 O ATOM 0 H SER A 22 -0.939 15.372 -4.746 1.00 0.00 H new ATOM 0 HA SER A 22 -3.092 13.382 -4.354 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.955 16.171 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.047 15.061 -6.254 1.00 0.00 H new ATOM 0 HG SER A 22 -5.069 16.181 -4.499 1.00 0.00 H new ATOM 297 N ARG A 23 -0.895 13.387 -6.594 1.00 0.00 N ATOM 298 CA ARG A 23 -0.388 12.742 -7.800 1.00 0.00 C ATOM 299 C ARG A 23 0.698 11.727 -7.458 1.00 0.00 C ATOM 300 O ARG A 23 1.561 11.425 -8.283 1.00 0.00 O ATOM 301 CB ARG A 23 0.164 13.789 -8.770 1.00 0.00 C ATOM 302 CG ARG A 23 -0.860 14.832 -9.188 1.00 0.00 C ATOM 303 CD ARG A 23 -0.195 16.151 -9.549 1.00 0.00 C ATOM 304 NE ARG A 23 -1.150 17.115 -10.087 1.00 0.00 N ATOM 305 CZ ARG A 23 -0.925 18.424 -10.135 1.00 0.00 C ATOM 306 NH1 ARG A 23 0.216 18.921 -9.680 1.00 0.00 N ATOM 307 NH2 ARG A 23 -1.843 19.238 -10.640 1.00 0.00 N ATOM 0 H ARG A 23 -0.178 13.831 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.215 12.216 -8.276 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.012 14.291 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.541 13.285 -9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.428 14.464 -10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.571 14.991 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.284 16.570 -8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.592 15.972 -10.282 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.038 16.765 -10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.925 18.299 -9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.386 19.926 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.722 18.859 -10.992 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.669 20.242 -10.676 1.00 0.00 H new ATOM 321 N ILE A 24 0.649 11.203 -6.238 1.00 0.00 N ATOM 322 CA ILE A 24 1.628 10.222 -5.787 1.00 0.00 C ATOM 323 C ILE A 24 1.335 8.845 -6.374 1.00 0.00 C ATOM 324 O ILE A 24 0.197 8.377 -6.350 1.00 0.00 O ATOM 325 CB ILE A 24 1.655 10.118 -4.251 1.00 0.00 C ATOM 326 CG1 ILE A 24 2.394 11.315 -3.650 1.00 0.00 C ATOM 327 CG2 ILE A 24 2.310 8.813 -3.820 1.00 0.00 C ATOM 328 CD1 ILE A 24 2.509 11.260 -2.143 1.00 0.00 C ATOM 0 H ILE A 24 -0.059 11.442 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 24 2.602 10.564 -6.136 1.00 0.00 H new ATOM 0 HB ILE A 24 0.629 10.126 -3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.394 11.368 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.876 12.231 -3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.322 8.754 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.746 7.972 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.332 8.777 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.044 12.140 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.512 11.238 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.054 10.362 -1.852 1.00 0.00 H new ATOM 340 N LYS A 25 2.371 8.199 -6.899 1.00 0.00 N ATOM 341 CA LYS A 25 2.228 6.874 -7.489 1.00 0.00 C ATOM 342 C LYS A 25 3.004 5.834 -6.687 1.00 0.00 C ATOM 343 O LYS A 25 3.895 6.174 -5.909 1.00 0.00 O ATOM 344 CB LYS A 25 2.717 6.883 -8.939 1.00 0.00 C ATOM 345 CG LYS A 25 1.631 7.227 -9.945 1.00 0.00 C ATOM 346 CD LYS A 25 0.685 6.059 -10.166 1.00 0.00 C ATOM 347 CE LYS A 25 -0.617 6.511 -10.808 1.00 0.00 C ATOM 348 NZ LYS A 25 -0.397 7.086 -12.164 1.00 0.00 N ATOM 0 H LYS A 25 3.320 8.573 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 25 1.171 6.608 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.530 7.602 -9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.128 5.903 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.068 8.091 -9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.088 7.510 -10.893 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.166 5.315 -10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.473 5.575 -9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.300 5.664 -10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.097 7.255 -10.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.314 7.320 -12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.179 7.949 -12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.098 6.392 -12.759 1.00 0.00 H new ATOM 362 N VAL A 26 2.661 4.565 -6.883 1.00 0.00 N ATOM 363 CA VAL A 26 3.327 3.475 -6.180 1.00 0.00 C ATOM 364 C VAL A 26 3.388 2.220 -7.043 1.00 0.00 C ATOM 365 O VAL A 26 2.362 1.722 -7.507 1.00 0.00 O ATOM 366 CB VAL A 26 2.612 3.141 -4.857 1.00 0.00 C ATOM 367 CG1 VAL A 26 2.820 4.255 -3.842 1.00 0.00 C ATOM 368 CG2 VAL A 26 1.130 2.898 -5.099 1.00 0.00 C ATOM 0 H VAL A 26 1.925 4.266 -7.523 1.00 0.00 H new ATOM 0 HA VAL A 26 4.341 3.812 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 26 3.045 2.227 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.308 4.002 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.886 4.375 -3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.416 5.187 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.641 2.663 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.680 3.793 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.006 2.063 -5.789 1.00 0.00 H new ATOM 378 N PHE A 27 4.598 1.712 -7.254 1.00 0.00 N ATOM 379 CA PHE A 27 4.793 0.514 -8.062 1.00 0.00 C ATOM 380 C PHE A 27 5.616 -0.524 -7.306 1.00 0.00 C ATOM 381 O PHE A 27 6.584 -0.188 -6.623 1.00 0.00 O ATOM 382 CB PHE A 27 5.486 0.870 -9.379 1.00 0.00 C ATOM 383 CG PHE A 27 6.725 1.699 -9.200 1.00 0.00 C ATOM 384 CD1 PHE A 27 7.931 1.104 -8.867 1.00 0.00 C ATOM 385 CD2 PHE A 27 6.684 3.075 -9.365 1.00 0.00 C ATOM 386 CE1 PHE A 27 9.073 1.866 -8.701 1.00 0.00 C ATOM 387 CE2 PHE A 27 7.822 3.841 -9.201 1.00 0.00 C ATOM 388 CZ PHE A 27 9.018 3.236 -8.869 1.00 0.00 C ATOM 0 H PHE A 27 5.458 2.111 -6.877 1.00 0.00 H new ATOM 0 HA PHE A 27 3.813 0.088 -8.278 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.746 -0.049 -9.903 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.785 1.411 -10.014 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.980 0.033 -8.736 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.751 3.554 -9.625 1.00 0.00 H new ATOM 0 HE1 PHE A 27 10.007 1.390 -8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.776 4.912 -9.332 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.909 3.833 -8.741 1.00 0.00 H new ATOM 398 N GLY A 28 5.224 -1.788 -7.432 1.00 0.00 N ATOM 399 CA GLY A 28 5.935 -2.857 -6.754 1.00 0.00 C ATOM 400 C GLY A 28 4.999 -3.889 -6.157 1.00 0.00 C ATOM 401 O GLY A 28 3.790 -3.676 -6.055 1.00 0.00 O ATOM 0 H GLY A 28 4.427 -2.091 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.608 -3.346 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.555 -2.433 -5.964 1.00 0.00 H new ATOM 405 N PRO A 29 5.559 -5.038 -5.753 1.00 0.00 N ATOM 406 CA PRO A 29 4.784 -6.130 -5.157 1.00 0.00 C ATOM 407 C PRO A 29 4.263 -5.781 -3.768 1.00 0.00 C ATOM 408 O PRO A 29 3.133 -6.117 -3.415 1.00 0.00 O ATOM 409 CB PRO A 29 5.793 -7.279 -5.077 1.00 0.00 C ATOM 410 CG PRO A 29 7.123 -6.611 -5.021 1.00 0.00 C ATOM 411 CD PRO A 29 6.993 -5.359 -5.844 1.00 0.00 C ATOM 0 HA PRO A 29 3.895 -6.365 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.622 -7.895 -4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.716 -7.935 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.398 -6.375 -3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.903 -7.260 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.611 -4.553 -5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.303 -5.522 -6.876 1.00 0.00 H new ATOM 419 N GLY A 30 5.094 -5.104 -2.981 1.00 0.00 N ATOM 420 CA GLY A 30 4.699 -4.721 -1.639 1.00 0.00 C ATOM 421 C GLY A 30 3.369 -3.993 -1.612 1.00 0.00 C ATOM 422 O GLY A 30 2.731 -3.891 -0.564 1.00 0.00 O ATOM 0 H GLY A 30 6.034 -4.814 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.635 -5.612 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.468 -4.082 -1.205 1.00 0.00 H new ATOM 426 N ILE A 31 2.951 -3.484 -2.766 1.00 0.00 N ATOM 427 CA ILE A 31 1.689 -2.762 -2.870 1.00 0.00 C ATOM 428 C ILE A 31 0.795 -3.370 -3.945 1.00 0.00 C ATOM 429 O ILE A 31 -0.404 -3.096 -3.995 1.00 0.00 O ATOM 430 CB ILE A 31 1.918 -1.273 -3.190 1.00 0.00 C ATOM 431 CG1 ILE A 31 0.665 -0.459 -2.857 1.00 0.00 C ATOM 432 CG2 ILE A 31 2.298 -1.098 -4.652 1.00 0.00 C ATOM 433 CD1 ILE A 31 0.418 -0.309 -1.373 1.00 0.00 C ATOM 0 H ILE A 31 3.468 -3.558 -3.642 1.00 0.00 H new ATOM 0 HA ILE A 31 1.196 -2.846 -1.901 1.00 0.00 H new ATOM 0 HB ILE A 31 2.740 -0.906 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.756 0.531 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.201 -0.937 -3.315 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.457 -0.040 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.215 -1.650 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.496 -1.478 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.486 0.279 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.295 -1.294 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.266 0.197 -0.912 1.00 0.00 H new ATOM 445 N GLU A 32 1.386 -4.197 -4.801 1.00 0.00 N ATOM 446 CA GLU A 32 0.641 -4.844 -5.875 1.00 0.00 C ATOM 447 C GLU A 32 0.110 -6.202 -5.426 1.00 0.00 C ATOM 448 O GLU A 32 -1.054 -6.531 -5.651 1.00 0.00 O ATOM 449 CB GLU A 32 1.528 -5.015 -7.110 1.00 0.00 C ATOM 450 CG GLU A 32 1.862 -3.705 -7.805 1.00 0.00 C ATOM 451 CD GLU A 32 0.847 -3.333 -8.868 1.00 0.00 C ATOM 452 OE1 GLU A 32 -0.265 -2.899 -8.501 1.00 0.00 O ATOM 453 OE2 GLU A 32 1.165 -3.476 -10.067 1.00 0.00 O ATOM 0 H GLU A 32 2.377 -4.435 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.206 -4.207 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.455 -5.507 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.027 -5.675 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.915 -2.908 -7.063 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.849 -3.782 -8.261 1.00 0.00 H new ATOM 460 N GLY A 33 0.973 -6.989 -4.789 1.00 0.00 N ATOM 461 CA GLY A 33 0.573 -8.302 -4.319 1.00 0.00 C ATOM 462 C GLY A 33 1.090 -9.417 -5.206 1.00 0.00 C ATOM 463 O GLY A 33 0.340 -10.315 -5.589 1.00 0.00 O ATOM 0 H GLY A 33 1.942 -6.740 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.941 -8.449 -3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.515 -8.353 -4.274 1.00 0.00 H new ATOM 467 N LYS A 34 2.376 -9.361 -5.535 1.00 0.00 N ATOM 468 CA LYS A 34 2.994 -10.374 -6.383 1.00 0.00 C ATOM 469 C LYS A 34 3.753 -11.397 -5.544 1.00 0.00 C ATOM 470 O LYS A 34 3.340 -12.551 -5.432 1.00 0.00 O ATOM 471 CB LYS A 34 3.944 -9.717 -7.387 1.00 0.00 C ATOM 472 CG LYS A 34 3.411 -8.420 -7.970 1.00 0.00 C ATOM 473 CD LYS A 34 2.153 -8.653 -8.790 1.00 0.00 C ATOM 474 CE LYS A 34 2.485 -9.007 -10.231 1.00 0.00 C ATOM 475 NZ LYS A 34 1.328 -9.632 -10.929 1.00 0.00 N ATOM 0 H LYS A 34 3.011 -8.625 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 34 2.202 -10.891 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.898 -9.520 -6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.141 -10.417 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.196 -7.719 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.175 -7.961 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.569 -9.457 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.532 -7.758 -8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.788 -8.107 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.334 -9.691 -10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.595 -9.859 -11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.054 -10.505 -10.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.526 -8.970 -10.933 1.00 0.00 H new ATOM 489 N ASP A 35 4.862 -10.966 -4.954 1.00 0.00 N ATOM 490 CA ASP A 35 5.677 -11.844 -4.122 1.00 0.00 C ATOM 491 C ASP A 35 5.516 -11.497 -2.645 1.00 0.00 C ATOM 492 O ASP A 35 6.410 -11.748 -1.837 1.00 0.00 O ATOM 493 CB ASP A 35 7.149 -11.742 -4.525 1.00 0.00 C ATOM 494 CG ASP A 35 7.328 -11.530 -6.016 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.982 -12.446 -6.790 1.00 0.00 O ATOM 496 OD2 ASP A 35 7.815 -10.449 -6.407 1.00 0.00 O ATOM 0 H ASP A 35 5.218 -10.014 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 35 5.336 -12.868 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.614 -10.917 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.669 -12.652 -4.225 1.00 0.00 H new ATOM 501 N VAL A 36 4.371 -10.917 -2.300 1.00 0.00 N ATOM 502 CA VAL A 36 4.092 -10.535 -0.921 1.00 0.00 C ATOM 503 C VAL A 36 3.598 -11.728 -0.110 1.00 0.00 C ATOM 504 O VAL A 36 3.064 -11.567 0.988 1.00 0.00 O ATOM 505 CB VAL A 36 3.043 -9.410 -0.851 1.00 0.00 C ATOM 506 CG1 VAL A 36 2.802 -8.994 0.592 1.00 0.00 C ATOM 507 CG2 VAL A 36 3.480 -8.221 -1.692 1.00 0.00 C ATOM 0 H VAL A 36 3.621 -10.701 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 36 5.029 -10.174 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 36 2.104 -9.786 -1.257 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.058 -8.198 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.441 -9.850 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.734 -8.635 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.727 -7.436 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.431 -7.841 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.596 -8.533 -2.730 1.00 0.00 H new ATOM 517 N PHE A 37 3.780 -12.925 -0.657 1.00 0.00 N ATOM 518 CA PHE A 37 3.352 -14.146 0.015 1.00 0.00 C ATOM 519 C PHE A 37 3.668 -14.085 1.506 1.00 0.00 C ATOM 520 O PHE A 37 4.550 -13.341 1.935 1.00 0.00 O ATOM 521 CB PHE A 37 4.032 -15.364 -0.613 1.00 0.00 C ATOM 522 CG PHE A 37 4.070 -15.323 -2.114 1.00 0.00 C ATOM 523 CD1 PHE A 37 2.931 -15.016 -2.840 1.00 0.00 C ATOM 524 CD2 PHE A 37 5.244 -15.592 -2.798 1.00 0.00 C ATOM 525 CE1 PHE A 37 2.962 -14.977 -4.221 1.00 0.00 C ATOM 526 CE2 PHE A 37 5.282 -15.554 -4.179 1.00 0.00 C ATOM 527 CZ PHE A 37 4.139 -15.247 -4.892 1.00 0.00 C ATOM 0 H PHE A 37 4.221 -13.076 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 37 2.273 -14.239 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.051 -15.437 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.509 -16.266 -0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.008 -14.805 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.140 -15.834 -2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.067 -14.736 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.204 -15.764 -4.700 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.166 -15.218 -5.971 1.00 0.00 H new ATOM 537 N ARG A 38 2.941 -14.873 2.292 1.00 0.00 N ATOM 538 CA ARG A 38 3.142 -14.908 3.736 1.00 0.00 C ATOM 539 C ARG A 38 4.581 -15.282 4.075 1.00 0.00 C ATOM 540 O ARG A 38 5.166 -16.166 3.451 1.00 0.00 O ATOM 541 CB ARG A 38 2.178 -15.905 4.382 1.00 0.00 C ATOM 542 CG ARG A 38 2.089 -15.772 5.894 1.00 0.00 C ATOM 543 CD ARG A 38 1.048 -16.717 6.475 1.00 0.00 C ATOM 544 NE ARG A 38 1.193 -16.869 7.920 1.00 0.00 N ATOM 545 CZ ARG A 38 0.645 -17.860 8.614 1.00 0.00 C ATOM 546 NH1 ARG A 38 -0.080 -18.783 7.997 1.00 0.00 N ATOM 547 NH2 ARG A 38 0.822 -17.930 9.927 1.00 0.00 N ATOM 0 H ARG A 38 2.208 -15.496 1.953 1.00 0.00 H new ATOM 0 HA ARG A 38 2.941 -13.912 4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.185 -15.767 3.954 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.495 -16.918 4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.062 -15.984 6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.836 -14.745 6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.050 -16.341 6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.137 -17.693 5.997 1.00 0.00 H new ATOM 0 HE ARG A 38 1.746 -16.176 8.424 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.218 -18.733 6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.500 -19.543 8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.380 -17.222 10.405 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.400 -18.692 10.459 1.00 0.00 H new ATOM 561 N GLU A 39 5.146 -14.602 5.069 1.00 0.00 N ATOM 562 CA GLU A 39 6.517 -14.863 5.490 1.00 0.00 C ATOM 563 C GLU A 39 7.499 -14.570 4.359 1.00 0.00 C ATOM 564 O GLU A 39 8.545 -15.208 4.249 1.00 0.00 O ATOM 565 CB GLU A 39 6.667 -16.316 5.945 1.00 0.00 C ATOM 566 CG GLU A 39 6.257 -16.547 7.390 1.00 0.00 C ATOM 567 CD GLU A 39 7.406 -16.353 8.360 1.00 0.00 C ATOM 568 OE1 GLU A 39 8.003 -15.255 8.360 1.00 0.00 O ATOM 569 OE2 GLU A 39 7.708 -17.297 9.119 1.00 0.00 O ATOM 0 H GLU A 39 4.675 -13.867 5.597 1.00 0.00 H new ATOM 0 HA GLU A 39 6.744 -14.202 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.064 -16.954 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.705 -16.623 5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.449 -15.863 7.648 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.864 -17.558 7.495 1.00 0.00 H new ATOM 576 N ALA A 40 7.152 -13.599 3.520 1.00 0.00 N ATOM 577 CA ALA A 40 8.002 -13.219 2.398 1.00 0.00 C ATOM 578 C ALA A 40 8.391 -11.747 2.478 1.00 0.00 C ATOM 579 O ALA A 40 7.555 -10.887 2.758 1.00 0.00 O ATOM 580 CB ALA A 40 7.299 -13.511 1.081 1.00 0.00 C ATOM 0 H ALA A 40 6.288 -13.061 3.596 1.00 0.00 H new ATOM 0 HA ALA A 40 8.915 -13.812 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.945 -13.222 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.078 -14.576 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.370 -12.944 1.031 1.00 0.00 H new ATOM 586 N THR A 41 9.665 -11.461 2.230 1.00 0.00 N ATOM 587 CA THR A 41 10.165 -10.093 2.276 1.00 0.00 C ATOM 588 C THR A 41 9.764 -9.319 1.025 1.00 0.00 C ATOM 589 O THR A 41 10.377 -9.467 -0.033 1.00 0.00 O ATOM 590 CB THR A 41 11.699 -10.060 2.417 1.00 0.00 C ATOM 591 OG1 THR A 41 12.099 -10.784 3.585 1.00 0.00 O ATOM 592 CG2 THR A 41 12.203 -8.627 2.505 1.00 0.00 C ATOM 0 H THR A 41 10.370 -12.160 1.995 1.00 0.00 H new ATOM 0 HA THR A 41 9.717 -9.622 3.151 1.00 0.00 H new ATOM 0 HB THR A 41 12.134 -10.528 1.534 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.075 -10.760 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.288 -8.629 2.604 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.922 -8.086 1.601 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.760 -8.138 3.373 1.00 0.00 H new ATOM 600 N THR A 42 8.731 -8.492 1.152 1.00 0.00 N ATOM 601 CA THR A 42 8.248 -7.695 0.032 1.00 0.00 C ATOM 602 C THR A 42 8.321 -6.205 0.345 1.00 0.00 C ATOM 603 O THR A 42 8.137 -5.792 1.490 1.00 0.00 O ATOM 604 CB THR A 42 6.797 -8.061 -0.333 1.00 0.00 C ATOM 605 OG1 THR A 42 6.360 -7.278 -1.450 1.00 0.00 O ATOM 606 CG2 THR A 42 5.867 -7.830 0.849 1.00 0.00 C ATOM 0 H THR A 42 8.213 -8.357 2.020 1.00 0.00 H new ATOM 0 HA THR A 42 8.895 -7.917 -0.816 1.00 0.00 H new ATOM 0 HB THR A 42 6.768 -9.118 -0.597 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.709 -7.667 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.848 -8.095 0.567 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.184 -8.449 1.688 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.901 -6.780 1.139 1.00 0.00 H new ATOM 614 N ASP A 43 8.590 -5.403 -0.679 1.00 0.00 N ATOM 615 CA ASP A 43 8.686 -3.957 -0.512 1.00 0.00 C ATOM 616 C ASP A 43 8.276 -3.235 -1.792 1.00 0.00 C ATOM 617 O ASP A 43 8.501 -3.731 -2.896 1.00 0.00 O ATOM 618 CB ASP A 43 10.110 -3.560 -0.122 1.00 0.00 C ATOM 619 CG ASP A 43 11.121 -3.893 -1.202 1.00 0.00 C ATOM 620 OD1 ASP A 43 10.892 -3.508 -2.368 1.00 0.00 O ATOM 621 OD2 ASP A 43 12.141 -4.538 -0.881 1.00 0.00 O ATOM 0 H ASP A 43 8.745 -5.729 -1.633 1.00 0.00 H new ATOM 0 HA ASP A 43 8.004 -3.662 0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.142 -2.490 0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.387 -4.071 0.800 1.00 0.00 H new ATOM 626 N PHE A 44 7.673 -2.061 -1.636 1.00 0.00 N ATOM 627 CA PHE A 44 7.230 -1.271 -2.779 1.00 0.00 C ATOM 628 C PHE A 44 8.036 0.020 -2.893 1.00 0.00 C ATOM 629 O PHE A 44 8.866 0.326 -2.036 1.00 0.00 O ATOM 630 CB PHE A 44 5.740 -0.946 -2.654 1.00 0.00 C ATOM 631 CG PHE A 44 5.385 -0.244 -1.375 1.00 0.00 C ATOM 632 CD1 PHE A 44 5.245 -0.956 -0.195 1.00 0.00 C ATOM 633 CD2 PHE A 44 5.191 1.127 -1.352 1.00 0.00 C ATOM 634 CE1 PHE A 44 4.917 -0.313 0.984 1.00 0.00 C ATOM 635 CE2 PHE A 44 4.863 1.776 -0.177 1.00 0.00 C ATOM 636 CZ PHE A 44 4.727 1.055 0.993 1.00 0.00 C ATOM 0 H PHE A 44 7.480 -1.636 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 44 7.392 -1.861 -3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.440 -0.323 -3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.168 -1.871 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.394 -2.026 -0.196 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.297 1.696 -2.264 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.809 -0.880 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.713 2.846 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.473 1.560 1.913 1.00 0.00 H new ATOM 646 N THR A 45 7.786 0.774 -3.959 1.00 0.00 N ATOM 647 CA THR A 45 8.488 2.031 -4.187 1.00 0.00 C ATOM 648 C THR A 45 7.508 3.171 -4.436 1.00 0.00 C ATOM 649 O THR A 45 6.605 3.057 -5.265 1.00 0.00 O ATOM 650 CB THR A 45 9.451 1.927 -5.385 1.00 0.00 C ATOM 651 OG1 THR A 45 10.268 0.758 -5.256 1.00 0.00 O ATOM 652 CG2 THR A 45 10.335 3.162 -5.478 1.00 0.00 C ATOM 0 H THR A 45 7.103 0.536 -4.678 1.00 0.00 H new ATOM 0 HA THR A 45 9.063 2.240 -3.285 1.00 0.00 H new ATOM 0 HB THR A 45 8.857 1.856 -6.296 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.876 0.698 -6.022 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.006 3.065 -6.331 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.712 4.047 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.921 3.259 -4.564 1.00 0.00 H new ATOM 660 N VAL A 46 7.691 4.272 -3.714 1.00 0.00 N ATOM 661 CA VAL A 46 6.823 5.435 -3.858 1.00 0.00 C ATOM 662 C VAL A 46 7.501 6.528 -4.677 1.00 0.00 C ATOM 663 O VAL A 46 8.527 7.074 -4.272 1.00 0.00 O ATOM 664 CB VAL A 46 6.423 6.009 -2.486 1.00 0.00 C ATOM 665 CG1 VAL A 46 5.560 7.250 -2.658 1.00 0.00 C ATOM 666 CG2 VAL A 46 5.699 4.957 -1.659 1.00 0.00 C ATOM 0 H VAL A 46 8.433 4.383 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 46 5.926 5.099 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 46 7.329 6.296 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.287 7.642 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.117 8.007 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.656 6.991 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.424 5.380 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.799 4.637 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.355 4.100 -1.506 1.00 0.00 H new ATOM 676 N ASP A 47 6.919 6.842 -5.829 1.00 0.00 N ATOM 677 CA ASP A 47 7.465 7.872 -6.705 1.00 0.00 C ATOM 678 C ASP A 47 6.907 9.245 -6.343 1.00 0.00 C ATOM 679 O ASP A 47 5.693 9.432 -6.267 1.00 0.00 O ATOM 680 CB ASP A 47 7.150 7.549 -8.166 1.00 0.00 C ATOM 681 CG ASP A 47 8.202 8.085 -9.117 1.00 0.00 C ATOM 682 OD1 ASP A 47 8.196 9.305 -9.381 1.00 0.00 O ATOM 683 OD2 ASP A 47 9.030 7.284 -9.599 1.00 0.00 O ATOM 0 H ASP A 47 6.069 6.398 -6.178 1.00 0.00 H new ATOM 0 HA ASP A 47 8.547 7.892 -6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.071 6.469 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.179 7.971 -8.427 1.00 0.00 H new ATOM 688 N SER A 48 7.802 10.203 -6.121 1.00 0.00 N ATOM 689 CA SER A 48 7.400 11.557 -5.762 1.00 0.00 C ATOM 690 C SER A 48 8.176 12.588 -6.576 1.00 0.00 C ATOM 691 O SER A 48 9.369 12.421 -6.833 1.00 0.00 O ATOM 692 CB SER A 48 7.620 11.799 -4.268 1.00 0.00 C ATOM 693 OG SER A 48 8.905 11.358 -3.864 1.00 0.00 O ATOM 0 H SER A 48 8.811 10.066 -6.184 1.00 0.00 H new ATOM 0 HA SER A 48 6.339 11.666 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.511 12.861 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.855 11.275 -3.695 1.00 0.00 H new ATOM 0 HG SER A 48 9.478 11.254 -4.652 1.00 0.00 H new ATOM 699 N ARG A 49 7.491 13.654 -6.978 1.00 0.00 N ATOM 700 CA ARG A 49 8.116 14.712 -7.763 1.00 0.00 C ATOM 701 C ARG A 49 7.954 16.065 -7.077 1.00 0.00 C ATOM 702 O ARG A 49 8.906 16.636 -6.543 1.00 0.00 O ATOM 703 CB ARG A 49 7.506 14.763 -9.165 1.00 0.00 C ATOM 704 CG ARG A 49 8.313 14.007 -10.208 1.00 0.00 C ATOM 705 CD ARG A 49 7.470 13.670 -11.428 1.00 0.00 C ATOM 706 NE ARG A 49 8.294 13.387 -12.601 1.00 0.00 N ATOM 707 CZ ARG A 49 9.070 14.290 -13.189 1.00 0.00 C ATOM 708 NH1 ARG A 49 9.129 15.527 -12.716 1.00 0.00 N ATOM 709 NH2 ARG A 49 9.790 13.956 -14.252 1.00 0.00 N ATOM 0 H ARG A 49 6.504 13.808 -6.773 1.00 0.00 H new ATOM 0 HA ARG A 49 9.180 14.490 -7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.498 14.350 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.413 15.804 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.171 14.607 -10.512 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.705 13.089 -9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.843 12.806 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.801 14.502 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 49 8.272 12.444 -12.989 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.577 15.787 -11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.726 16.219 -13.170 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.748 13.005 -14.618 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.386 14.650 -14.703 1.00 0.00 H new ATOM 723 N PRO A 50 6.721 16.593 -7.091 1.00 0.00 N ATOM 724 CA PRO A 50 6.406 17.885 -6.474 1.00 0.00 C ATOM 725 C PRO A 50 6.473 17.833 -4.952 1.00 0.00 C ATOM 726 O PRO A 50 6.201 18.825 -4.274 1.00 0.00 O ATOM 727 CB PRO A 50 4.973 18.159 -6.938 1.00 0.00 C ATOM 728 CG PRO A 50 4.399 16.811 -7.210 1.00 0.00 C ATOM 729 CD PRO A 50 5.539 15.968 -7.708 1.00 0.00 C ATOM 0 HA PRO A 50 7.117 18.659 -6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.403 18.685 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.959 18.783 -7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.963 16.383 -6.307 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.603 16.868 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.431 14.927 -7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.601 15.978 -8.796 1.00 0.00 H new ATOM 737 N LEU A 51 6.836 16.671 -4.420 1.00 0.00 N ATOM 738 CA LEU A 51 6.939 16.490 -2.976 1.00 0.00 C ATOM 739 C LEU A 51 8.397 16.505 -2.528 1.00 0.00 C ATOM 740 O LEU A 51 8.742 17.118 -1.517 1.00 0.00 O ATOM 741 CB LEU A 51 6.279 15.175 -2.559 1.00 0.00 C ATOM 742 CG LEU A 51 4.891 14.906 -3.141 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.251 13.704 -2.463 1.00 0.00 C ATOM 744 CD2 LEU A 51 4.006 16.135 -2.998 1.00 0.00 C ATOM 0 H LEU A 51 7.064 15.840 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 51 6.421 17.319 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.937 14.355 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.205 15.158 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 51 5.000 14.683 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.264 13.528 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.875 12.824 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.155 13.897 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.022 15.926 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.904 16.389 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.457 16.972 -3.531 1.00 0.00 H new ATOM 756 N THR A 52 9.251 15.827 -3.289 1.00 0.00 N ATOM 757 CA THR A 52 10.672 15.763 -2.971 1.00 0.00 C ATOM 758 C THR A 52 11.508 15.560 -4.230 1.00 0.00 C ATOM 759 O THR A 52 10.983 15.198 -5.282 1.00 0.00 O ATOM 760 CB THR A 52 10.975 14.625 -1.978 1.00 0.00 C ATOM 761 OG1 THR A 52 12.277 14.805 -1.409 1.00 0.00 O ATOM 762 CG2 THR A 52 10.901 13.271 -2.668 1.00 0.00 C ATOM 0 H THR A 52 8.983 15.315 -4.129 1.00 0.00 H new ATOM 0 HA THR A 52 10.937 16.715 -2.512 1.00 0.00 H new ATOM 0 HB THR A 52 10.226 14.654 -1.187 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.293 14.432 -0.503 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.119 12.483 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.901 13.124 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.631 13.234 -3.477 1.00 0.00 H new ATOM 770 N GLN A 53 12.811 15.794 -4.113 1.00 0.00 N ATOM 771 CA GLN A 53 13.719 15.636 -5.243 1.00 0.00 C ATOM 772 C GLN A 53 14.965 14.857 -4.836 1.00 0.00 C ATOM 773 O GLN A 53 15.520 14.094 -5.627 1.00 0.00 O ATOM 774 CB GLN A 53 14.118 17.005 -5.799 1.00 0.00 C ATOM 775 CG GLN A 53 12.946 17.806 -6.341 1.00 0.00 C ATOM 776 CD GLN A 53 12.288 18.669 -5.282 1.00 0.00 C ATOM 777 OE1 GLN A 53 12.913 19.571 -4.724 1.00 0.00 O ATOM 778 NE2 GLN A 53 11.020 18.395 -4.999 1.00 0.00 N ATOM 0 H GLN A 53 13.261 16.093 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 53 13.199 15.074 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.607 17.579 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.851 16.866 -6.594 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.291 18.440 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.206 17.123 -6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.541 17.638 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.525 18.942 -4.294 1.00 0.00 H new ATOM 787 N VAL A 54 15.402 15.055 -3.596 1.00 0.00 N ATOM 788 CA VAL A 54 16.582 14.370 -3.082 1.00 0.00 C ATOM 789 C VAL A 54 16.226 13.467 -1.907 1.00 0.00 C ATOM 790 O VAL A 54 17.009 13.312 -0.970 1.00 0.00 O ATOM 791 CB VAL A 54 17.663 15.372 -2.637 1.00 0.00 C ATOM 792 CG1 VAL A 54 18.056 16.282 -3.791 1.00 0.00 C ATOM 793 CG2 VAL A 54 17.177 16.186 -1.447 1.00 0.00 C ATOM 0 H VAL A 54 14.956 15.685 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 54 16.975 13.762 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 54 18.547 14.813 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.821 16.983 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.448 15.681 -4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.181 16.835 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.953 16.889 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.278 16.736 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.951 15.517 -0.617 1.00 0.00 H new ATOM 803 N GLY A 55 15.038 12.873 -1.962 1.00 0.00 N ATOM 804 CA GLY A 55 14.599 11.992 -0.896 1.00 0.00 C ATOM 805 C GLY A 55 14.210 12.749 0.359 1.00 0.00 C ATOM 806 O GLY A 55 14.643 13.881 0.568 1.00 0.00 O ATOM 0 H GLY A 55 14.372 12.986 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.748 11.405 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.397 11.288 -0.659 1.00 0.00 H new ATOM 810 N GLY A 56 13.389 12.123 1.196 1.00 0.00 N ATOM 811 CA GLY A 56 12.955 12.761 2.425 1.00 0.00 C ATOM 812 C GLY A 56 12.710 11.764 3.540 1.00 0.00 C ATOM 813 O GLY A 56 12.796 10.554 3.331 1.00 0.00 O ATOM 0 H GLY A 56 13.017 11.185 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.710 13.480 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.040 13.322 2.236 1.00 0.00 H new ATOM 817 N ASP A 57 12.406 12.272 4.729 1.00 0.00 N ATOM 818 CA ASP A 57 12.148 11.418 5.883 1.00 0.00 C ATOM 819 C ASP A 57 10.806 11.759 6.523 1.00 0.00 C ATOM 820 O ASP A 57 10.669 11.743 7.747 1.00 0.00 O ATOM 821 CB ASP A 57 13.270 11.563 6.912 1.00 0.00 C ATOM 822 CG ASP A 57 13.144 10.569 8.050 1.00 0.00 C ATOM 823 OD1 ASP A 57 13.094 9.352 7.772 1.00 0.00 O ATOM 824 OD2 ASP A 57 13.095 11.007 9.219 1.00 0.00 O ATOM 0 H ASP A 57 12.332 13.271 4.919 1.00 0.00 H new ATOM 0 HA ASP A 57 12.113 10.384 5.539 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.232 11.425 6.418 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.261 12.576 7.315 1.00 0.00 H new ATOM 829 N HIS A 58 9.820 12.069 5.688 1.00 0.00 N ATOM 830 CA HIS A 58 8.488 12.415 6.173 1.00 0.00 C ATOM 831 C HIS A 58 7.454 11.405 5.688 1.00 0.00 C ATOM 832 O HIS A 58 6.281 11.738 5.513 1.00 0.00 O ATOM 833 CB HIS A 58 8.103 13.820 5.709 1.00 0.00 C ATOM 834 CG HIS A 58 8.545 14.903 6.645 1.00 0.00 C ATOM 835 ND1 HIS A 58 7.672 15.608 7.447 1.00 0.00 N ATOM 836 CD2 HIS A 58 9.777 15.399 6.906 1.00 0.00 C ATOM 837 CE1 HIS A 58 8.348 16.492 8.159 1.00 0.00 C ATOM 838 NE2 HIS A 58 9.628 16.385 7.850 1.00 0.00 N ATOM 0 H HIS A 58 9.917 12.088 4.673 1.00 0.00 H new ATOM 0 HA HIS A 58 8.508 12.393 7.263 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.538 14.001 4.726 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.020 13.871 5.593 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.705 15.079 6.455 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.926 17.184 8.872 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.383 16.944 8.248 1.00 0.00 H new ATOM 846 N ILE A 59 7.895 10.170 5.472 1.00 0.00 N ATOM 847 CA ILE A 59 7.007 9.112 5.007 1.00 0.00 C ATOM 848 C ILE A 59 6.668 8.144 6.135 1.00 0.00 C ATOM 849 O ILE A 59 7.526 7.792 6.946 1.00 0.00 O ATOM 850 CB ILE A 59 7.632 8.325 3.841 1.00 0.00 C ATOM 851 CG1 ILE A 59 7.695 9.196 2.584 1.00 0.00 C ATOM 852 CG2 ILE A 59 6.838 7.055 3.572 1.00 0.00 C ATOM 853 CD1 ILE A 59 6.347 9.722 2.146 1.00 0.00 C ATOM 0 H ILE A 59 8.862 9.878 5.612 1.00 0.00 H new ATOM 0 HA ILE A 59 6.094 9.596 4.660 1.00 0.00 H new ATOM 0 HB ILE A 59 8.648 8.043 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.362 10.038 2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.131 8.616 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.293 6.510 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.840 6.429 4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.811 7.315 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.468 10.331 1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.683 8.885 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.917 10.330 2.942 1.00 0.00 H new ATOM 865 N LYS A 60 5.412 7.714 6.181 1.00 0.00 N ATOM 866 CA LYS A 60 4.958 6.783 7.208 1.00 0.00 C ATOM 867 C LYS A 60 3.960 5.784 6.633 1.00 0.00 C ATOM 868 O LYS A 60 3.110 6.140 5.817 1.00 0.00 O ATOM 869 CB LYS A 60 4.320 7.546 8.371 1.00 0.00 C ATOM 870 CG LYS A 60 4.038 6.679 9.586 1.00 0.00 C ATOM 871 CD LYS A 60 5.314 6.344 10.339 1.00 0.00 C ATOM 872 CE LYS A 60 5.103 5.190 11.307 1.00 0.00 C ATOM 873 NZ LYS A 60 4.814 3.914 10.595 1.00 0.00 N ATOM 0 H LYS A 60 4.689 7.995 5.518 1.00 0.00 H new ATOM 0 HA LYS A 60 5.825 6.234 7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.979 8.363 8.663 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.387 7.995 8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.347 7.197 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.548 5.758 9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.100 6.086 9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.656 7.222 10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.992 5.067 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.278 5.426 11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.944 3.115 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.833 3.924 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.463 3.811 9.789 1.00 0.00 H new ATOM 887 N ALA A 61 4.068 4.531 7.065 1.00 0.00 N ATOM 888 CA ALA A 61 3.173 3.481 6.595 1.00 0.00 C ATOM 889 C ALA A 61 2.642 2.652 7.759 1.00 0.00 C ATOM 890 O ALA A 61 3.236 2.625 8.838 1.00 0.00 O ATOM 891 CB ALA A 61 3.887 2.589 5.591 1.00 0.00 C ATOM 0 H ALA A 61 4.767 4.219 7.740 1.00 0.00 H new ATOM 0 HA ALA A 61 2.324 3.955 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.207 1.809 5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.212 3.187 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.755 2.131 6.065 1.00 0.00 H new ATOM 897 N HIS A 62 1.519 1.976 7.535 1.00 0.00 N ATOM 898 CA HIS A 62 0.908 1.145 8.567 1.00 0.00 C ATOM 899 C HIS A 62 0.094 0.015 7.942 1.00 0.00 C ATOM 900 O HIS A 62 -0.918 0.257 7.285 1.00 0.00 O ATOM 901 CB HIS A 62 0.014 1.994 9.471 1.00 0.00 C ATOM 902 CG HIS A 62 -0.871 1.184 10.368 1.00 0.00 C ATOM 903 ND1 HIS A 62 -2.190 1.505 10.613 1.00 0.00 N ATOM 904 CD2 HIS A 62 -0.621 0.059 11.079 1.00 0.00 C ATOM 905 CE1 HIS A 62 -2.712 0.614 11.437 1.00 0.00 C ATOM 906 NE2 HIS A 62 -1.780 -0.275 11.734 1.00 0.00 N ATOM 0 H HIS A 62 1.014 1.987 6.649 1.00 0.00 H new ATOM 0 HA HIS A 62 1.706 0.706 9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.641 2.643 10.082 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.606 2.642 8.851 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.316 -0.476 11.123 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.727 0.612 11.805 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.902 -1.079 12.350 1.00 0.00 H new ATOM 914 N ILE A 63 0.544 -1.217 8.152 1.00 0.00 N ATOM 915 CA ILE A 63 -0.142 -2.383 7.610 1.00 0.00 C ATOM 916 C ILE A 63 -1.221 -2.880 8.567 1.00 0.00 C ATOM 917 O ILE A 63 -1.067 -2.802 9.786 1.00 0.00 O ATOM 918 CB ILE A 63 0.842 -3.532 7.322 1.00 0.00 C ATOM 919 CG1 ILE A 63 1.990 -3.040 6.438 1.00 0.00 C ATOM 920 CG2 ILE A 63 0.118 -4.696 6.660 1.00 0.00 C ATOM 921 CD1 ILE A 63 3.289 -3.779 6.669 1.00 0.00 C ATOM 0 H ILE A 63 1.381 -1.434 8.694 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.605 -2.070 6.674 1.00 0.00 H new ATOM 0 HB ILE A 63 1.259 -3.879 8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.703 -3.145 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.149 -1.977 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.827 -5.500 6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.668 -5.059 7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.324 -4.363 5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.058 -3.378 6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.600 -3.653 7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.147 -4.839 6.459 1.00 0.00 H new ATOM 933 N ALA A 64 -2.311 -3.392 8.007 1.00 0.00 N ATOM 934 CA ALA A 64 -3.414 -3.906 8.810 1.00 0.00 C ATOM 935 C ALA A 64 -3.944 -5.217 8.239 1.00 0.00 C ATOM 936 O ALA A 64 -4.515 -5.244 7.150 1.00 0.00 O ATOM 937 CB ALA A 64 -4.529 -2.875 8.896 1.00 0.00 C ATOM 0 H ALA A 64 -2.455 -3.462 7.000 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.039 -4.103 9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.346 -3.272 9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.147 -1.964 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.894 -2.649 7.894 1.00 0.00 H new ATOM 943 N ASN A 65 -3.751 -6.302 8.983 1.00 0.00 N ATOM 944 CA ASN A 65 -4.210 -7.617 8.549 1.00 0.00 C ATOM 945 C ASN A 65 -5.725 -7.735 8.683 1.00 0.00 C ATOM 946 O ASN A 65 -6.355 -7.071 9.507 1.00 0.00 O ATOM 947 CB ASN A 65 -3.527 -8.713 9.368 1.00 0.00 C ATOM 948 CG ASN A 65 -2.094 -8.954 8.932 1.00 0.00 C ATOM 949 OD1 ASN A 65 -1.760 -8.812 7.756 1.00 0.00 O ATOM 950 ND2 ASN A 65 -1.241 -9.320 9.881 1.00 0.00 N ATOM 0 H ASN A 65 -3.281 -6.297 9.888 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.946 -7.739 7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.541 -8.437 10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.093 -9.640 9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.264 -9.496 9.648 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.563 -9.425 10.843 1.00 0.00 H new ATOM 957 N PRO A 66 -6.326 -8.602 7.854 1.00 0.00 N ATOM 958 CA PRO A 66 -7.774 -8.830 7.861 1.00 0.00 C ATOM 959 C PRO A 66 -8.241 -9.557 9.118 1.00 0.00 C ATOM 960 O PRO A 66 -9.437 -9.765 9.317 1.00 0.00 O ATOM 961 CB PRO A 66 -8.002 -9.701 6.623 1.00 0.00 C ATOM 962 CG PRO A 66 -6.701 -10.393 6.402 1.00 0.00 C ATOM 963 CD PRO A 66 -5.638 -9.427 6.847 1.00 0.00 C ATOM 0 HA PRO A 66 -8.334 -7.895 7.850 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.808 -10.416 6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.281 -9.097 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.650 -11.320 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.573 -10.658 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.777 -9.944 7.271 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.270 -8.824 6.017 1.00 0.00 H new ATOM 971 N SER A 67 -7.288 -9.940 9.962 1.00 0.00 N ATOM 972 CA SER A 67 -7.602 -10.647 11.198 1.00 0.00 C ATOM 973 C SER A 67 -7.623 -9.687 12.383 1.00 0.00 C ATOM 974 O SER A 67 -8.205 -9.982 13.426 1.00 0.00 O ATOM 975 CB SER A 67 -6.583 -11.760 11.447 1.00 0.00 C ATOM 976 OG SER A 67 -6.815 -12.866 10.591 1.00 0.00 O ATOM 0 H SER A 67 -6.293 -9.773 9.813 1.00 0.00 H new ATOM 0 HA SER A 67 -8.593 -11.088 11.093 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.575 -11.377 11.286 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.639 -12.083 12.487 1.00 0.00 H new ATOM 0 HG SER A 67 -5.963 -13.306 10.387 1.00 0.00 H new ATOM 982 N GLY A 68 -6.981 -8.534 12.214 1.00 0.00 N ATOM 983 CA GLY A 68 -6.937 -7.547 13.277 1.00 0.00 C ATOM 984 C GLY A 68 -5.520 -7.189 13.677 1.00 0.00 C ATOM 985 O GLY A 68 -5.285 -6.150 14.293 1.00 0.00 O ATOM 0 H GLY A 68 -6.491 -8.267 11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.459 -6.646 12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.471 -7.930 14.147 1.00 0.00 H new ATOM 989 N ALA A 69 -4.572 -8.052 13.327 1.00 0.00 N ATOM 990 CA ALA A 69 -3.170 -7.821 13.653 1.00 0.00 C ATOM 991 C ALA A 69 -2.568 -6.744 12.757 1.00 0.00 C ATOM 992 O ALA A 69 -3.180 -6.329 11.773 1.00 0.00 O ATOM 993 CB ALA A 69 -2.379 -9.115 13.531 1.00 0.00 C ATOM 0 H ALA A 69 -4.749 -8.918 12.818 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.116 -7.471 14.684 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.334 -8.927 13.777 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.786 -9.857 14.218 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.449 -9.490 12.510 1.00 0.00 H new ATOM 999 N SER A 70 -1.366 -6.296 13.104 1.00 0.00 N ATOM 1000 CA SER A 70 -0.683 -5.264 12.332 1.00 0.00 C ATOM 1001 C SER A 70 0.760 -5.667 12.044 1.00 0.00 C ATOM 1002 O SER A 70 1.498 -6.069 12.945 1.00 0.00 O ATOM 1003 CB SER A 70 -0.712 -3.932 13.085 1.00 0.00 C ATOM 1004 OG SER A 70 0.033 -4.010 14.288 1.00 0.00 O ATOM 0 H SER A 70 -0.845 -6.631 13.914 1.00 0.00 H new ATOM 0 HA SER A 70 -1.206 -5.148 11.383 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.305 -3.144 12.452 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.743 -3.660 13.309 1.00 0.00 H new ATOM 0 HG SER A 70 0.669 -4.754 14.231 1.00 0.00 H new ATOM 1010 N THR A 71 1.158 -5.556 10.780 1.00 0.00 N ATOM 1011 CA THR A 71 2.511 -5.909 10.371 1.00 0.00 C ATOM 1012 C THR A 71 3.439 -4.702 10.440 1.00 0.00 C ATOM 1013 O THR A 71 3.044 -3.584 10.109 1.00 0.00 O ATOM 1014 CB THR A 71 2.535 -6.479 8.940 1.00 0.00 C ATOM 1015 OG1 THR A 71 1.530 -7.489 8.798 1.00 0.00 O ATOM 1016 CG2 THR A 71 3.900 -7.065 8.613 1.00 0.00 C ATOM 0 H THR A 71 0.562 -5.224 10.022 1.00 0.00 H new ATOM 0 HA THR A 71 2.861 -6.673 11.065 1.00 0.00 H new ATOM 0 HB THR A 71 2.332 -5.664 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.551 -7.845 7.885 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.892 -7.461 7.598 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.659 -6.287 8.693 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.129 -7.868 9.314 1.00 0.00 H new ATOM 1024 N GLU A 72 4.675 -4.935 10.872 1.00 0.00 N ATOM 1025 CA GLU A 72 5.659 -3.864 10.984 1.00 0.00 C ATOM 1026 C GLU A 72 6.262 -3.534 9.621 1.00 0.00 C ATOM 1027 O GLU A 72 6.628 -4.430 8.860 1.00 0.00 O ATOM 1028 CB GLU A 72 6.767 -4.260 11.962 1.00 0.00 C ATOM 1029 CG GLU A 72 7.435 -3.075 12.638 1.00 0.00 C ATOM 1030 CD GLU A 72 8.375 -3.492 13.752 1.00 0.00 C ATOM 1031 OE1 GLU A 72 7.897 -4.099 14.734 1.00 0.00 O ATOM 1032 OE2 GLU A 72 9.586 -3.210 13.643 1.00 0.00 O ATOM 0 H GLU A 72 5.018 -5.854 11.150 1.00 0.00 H new ATOM 0 HA GLU A 72 5.151 -2.977 11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.348 -4.915 12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.523 -4.836 11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.990 -2.503 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.669 -2.413 13.043 1.00 0.00 H new ATOM 1039 N CYS A 73 6.360 -2.244 9.322 1.00 0.00 N ATOM 1040 CA CYS A 73 6.917 -1.795 8.051 1.00 0.00 C ATOM 1041 C CYS A 73 8.205 -1.008 8.269 1.00 0.00 C ATOM 1042 O CYS A 73 8.369 -0.335 9.287 1.00 0.00 O ATOM 1043 CB CYS A 73 5.900 -0.934 7.300 1.00 0.00 C ATOM 1044 SG CYS A 73 5.416 0.571 8.178 1.00 0.00 S ATOM 0 H CYS A 73 6.061 -1.491 9.942 1.00 0.00 H new ATOM 0 HA CYS A 73 7.148 -2.676 7.453 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.318 -0.659 6.332 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.009 -1.530 7.105 1.00 0.00 H new ATOM 0 HG CYS A 73 6.370 0.928 8.986 1.00 0.00 H new ATOM 1050 N PHE A 74 9.118 -1.098 7.308 1.00 0.00 N ATOM 1051 CA PHE A 74 10.393 -0.396 7.396 1.00 0.00 C ATOM 1052 C PHE A 74 10.601 0.510 6.186 1.00 0.00 C ATOM 1053 O PHE A 74 10.808 0.035 5.069 1.00 0.00 O ATOM 1054 CB PHE A 74 11.545 -1.398 7.500 1.00 0.00 C ATOM 1055 CG PHE A 74 11.225 -2.592 8.353 1.00 0.00 C ATOM 1056 CD1 PHE A 74 10.525 -2.445 9.539 1.00 0.00 C ATOM 1057 CD2 PHE A 74 11.624 -3.862 7.968 1.00 0.00 C ATOM 1058 CE1 PHE A 74 10.230 -3.543 10.326 1.00 0.00 C ATOM 1059 CE2 PHE A 74 11.332 -4.963 8.750 1.00 0.00 C ATOM 1060 CZ PHE A 74 10.632 -4.803 9.931 1.00 0.00 C ATOM 0 H PHE A 74 8.999 -1.650 6.459 1.00 0.00 H new ATOM 0 HA PHE A 74 10.376 0.223 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.812 -1.737 6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.420 -0.893 7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.206 -1.462 9.853 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.170 -3.993 7.045 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.685 -3.415 11.250 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.650 -5.947 8.439 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.400 -5.662 10.543 1.00 0.00 H new ATOM 1070 N VAL A 75 10.542 1.818 6.416 1.00 0.00 N ATOM 1071 CA VAL A 75 10.724 2.792 5.346 1.00 0.00 C ATOM 1072 C VAL A 75 12.194 2.924 4.967 1.00 0.00 C ATOM 1073 O VAL A 75 13.069 2.965 5.832 1.00 0.00 O ATOM 1074 CB VAL A 75 10.183 4.176 5.750 1.00 0.00 C ATOM 1075 CG1 VAL A 75 10.420 5.187 4.638 1.00 0.00 C ATOM 1076 CG2 VAL A 75 8.704 4.090 6.096 1.00 0.00 C ATOM 0 H VAL A 75 10.370 2.228 7.334 1.00 0.00 H new ATOM 0 HA VAL A 75 10.162 2.427 4.486 1.00 0.00 H new ATOM 0 HB VAL A 75 10.721 4.512 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.031 6.159 4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.489 5.269 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.910 4.858 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.339 5.077 6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.148 3.732 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.564 3.399 6.928 1.00 0.00 H new ATOM 1086 N THR A 76 12.461 2.989 3.666 1.00 0.00 N ATOM 1087 CA THR A 76 13.826 3.116 3.171 1.00 0.00 C ATOM 1088 C THR A 76 13.917 4.170 2.074 1.00 0.00 C ATOM 1089 O THR A 76 13.442 3.961 0.958 1.00 0.00 O ATOM 1090 CB THR A 76 14.351 1.776 2.624 1.00 0.00 C ATOM 1091 OG1 THR A 76 14.316 0.779 3.652 1.00 0.00 O ATOM 1092 CG2 THR A 76 15.773 1.924 2.103 1.00 0.00 C ATOM 0 H THR A 76 11.749 2.956 2.936 1.00 0.00 H new ATOM 0 HA THR A 76 14.442 3.422 4.017 1.00 0.00 H new ATOM 0 HB THR A 76 13.708 1.469 1.799 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.650 -0.070 3.295 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.123 0.965 1.722 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.792 2.662 1.301 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.425 2.252 2.913 1.00 0.00 H new ATOM 1100 N ASP A 77 14.530 5.303 2.398 1.00 0.00 N ATOM 1101 CA ASP A 77 14.685 6.391 1.439 1.00 0.00 C ATOM 1102 C ASP A 77 15.973 6.228 0.637 1.00 0.00 C ATOM 1103 O ASP A 77 17.060 6.126 1.204 1.00 0.00 O ATOM 1104 CB ASP A 77 14.686 7.739 2.160 1.00 0.00 C ATOM 1105 CG ASP A 77 15.878 7.902 3.082 1.00 0.00 C ATOM 1106 OD1 ASP A 77 16.087 7.022 3.943 1.00 0.00 O ATOM 1107 OD2 ASP A 77 16.602 8.911 2.944 1.00 0.00 O ATOM 0 H ASP A 77 14.928 5.492 3.318 1.00 0.00 H new ATOM 0 HA ASP A 77 13.841 6.358 0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.688 8.542 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.767 7.839 2.738 1.00 0.00 H new ATOM 1112 N ASN A 78 15.841 6.204 -0.685 1.00 0.00 N ATOM 1113 CA ASN A 78 16.994 6.052 -1.565 1.00 0.00 C ATOM 1114 C ASN A 78 17.715 7.383 -1.753 1.00 0.00 C ATOM 1115 O ASN A 78 18.644 7.491 -2.553 1.00 0.00 O ATOM 1116 CB ASN A 78 16.556 5.500 -2.924 1.00 0.00 C ATOM 1117 CG ASN A 78 16.099 4.057 -2.841 1.00 0.00 C ATOM 1118 OD1 ASN A 78 16.901 3.131 -2.970 1.00 0.00 O ATOM 1119 ND2 ASN A 78 14.804 3.858 -2.626 1.00 0.00 N ATOM 0 H ASN A 78 14.948 6.288 -1.170 1.00 0.00 H new ATOM 0 HA ASN A 78 17.684 5.348 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.745 6.113 -3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.384 5.576 -3.628 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.438 2.908 -2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.175 4.655 -2.525 1.00 0.00 H new ATOM 1126 N ALA A 79 17.280 8.395 -1.009 1.00 0.00 N ATOM 1127 CA ALA A 79 17.884 9.719 -1.091 1.00 0.00 C ATOM 1128 C ALA A 79 18.029 10.167 -2.542 1.00 0.00 C ATOM 1129 O ALA A 79 18.993 10.844 -2.899 1.00 0.00 O ATOM 1130 CB ALA A 79 19.238 9.725 -0.397 1.00 0.00 C ATOM 0 H ALA A 79 16.511 8.323 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 79 17.225 10.424 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 79 19.678 10.720 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.111 9.456 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 79 19.897 9.003 -0.879 1.00 0.00 H new ATOM 1136 N ASP A 80 17.066 9.785 -3.373 1.00 0.00 N ATOM 1137 CA ASP A 80 17.086 10.148 -4.785 1.00 0.00 C ATOM 1138 C ASP A 80 15.792 10.849 -5.185 1.00 0.00 C ATOM 1139 O ASP A 80 15.764 11.631 -6.134 1.00 0.00 O ATOM 1140 CB ASP A 80 17.296 8.905 -5.651 1.00 0.00 C ATOM 1141 CG ASP A 80 17.787 9.245 -7.044 1.00 0.00 C ATOM 1142 OD1 ASP A 80 18.943 9.700 -7.171 1.00 0.00 O ATOM 1143 OD2 ASP A 80 17.015 9.055 -8.007 1.00 0.00 O ATOM 0 H ASP A 80 16.261 9.224 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 80 17.915 10.837 -4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 80 18.016 8.246 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.358 8.354 -5.724 1.00 0.00 H new ATOM 1148 N GLY A 81 14.719 10.562 -4.453 1.00 0.00 N ATOM 1149 CA GLY A 81 13.435 11.172 -4.747 1.00 0.00 C ATOM 1150 C GLY A 81 12.276 10.222 -4.521 1.00 0.00 C ATOM 1151 O GLY A 81 11.113 10.614 -4.616 1.00 0.00 O ATOM 0 H GLY A 81 14.716 9.918 -3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.304 12.055 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.426 11.511 -5.783 1.00 0.00 H new ATOM 1155 N THR A 82 12.593 8.966 -4.220 1.00 0.00 N ATOM 1156 CA THR A 82 11.569 7.956 -3.982 1.00 0.00 C ATOM 1157 C THR A 82 11.816 7.222 -2.669 1.00 0.00 C ATOM 1158 O THR A 82 12.916 7.269 -2.118 1.00 0.00 O ATOM 1159 CB THR A 82 11.516 6.929 -5.129 1.00 0.00 C ATOM 1160 OG1 THR A 82 12.781 6.270 -5.256 1.00 0.00 O ATOM 1161 CG2 THR A 82 11.156 7.604 -6.444 1.00 0.00 C ATOM 0 H THR A 82 13.550 8.624 -4.135 1.00 0.00 H new ATOM 0 HA THR A 82 10.615 8.480 -3.929 1.00 0.00 H new ATOM 0 HB THR A 82 10.746 6.194 -4.893 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.738 5.618 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.125 6.859 -7.239 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.179 8.079 -6.354 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.906 8.358 -6.683 1.00 0.00 H new ATOM 1169 N TYR A 83 10.786 6.544 -2.174 1.00 0.00 N ATOM 1170 CA TYR A 83 10.891 5.802 -0.923 1.00 0.00 C ATOM 1171 C TYR A 83 10.580 4.324 -1.140 1.00 0.00 C ATOM 1172 O TYR A 83 9.942 3.951 -2.124 1.00 0.00 O ATOM 1173 CB TYR A 83 9.941 6.386 0.123 1.00 0.00 C ATOM 1174 CG TYR A 83 9.899 7.898 0.125 1.00 0.00 C ATOM 1175 CD1 TYR A 83 9.119 8.592 -0.793 1.00 0.00 C ATOM 1176 CD2 TYR A 83 10.639 8.632 1.043 1.00 0.00 C ATOM 1177 CE1 TYR A 83 9.078 9.972 -0.795 1.00 0.00 C ATOM 1178 CE2 TYR A 83 10.602 10.013 1.049 1.00 0.00 C ATOM 1179 CZ TYR A 83 9.821 10.679 0.128 1.00 0.00 C ATOM 1180 OH TYR A 83 9.783 12.054 0.129 1.00 0.00 O ATOM 0 H TYR A 83 9.870 6.493 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 83 11.916 5.891 -0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.936 6.003 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 83 10.243 6.038 1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.535 8.042 -1.517 1.00 0.00 H new ATOM 0 HD2 TYR A 83 11.254 8.114 1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.467 10.496 -1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 83 11.182 10.568 1.771 1.00 0.00 H new ATOM 0 HH TYR A 83 10.361 12.397 0.842 1.00 0.00 H new ATOM 1190 N GLN A 84 11.035 3.488 -0.212 1.00 0.00 N ATOM 1191 CA GLN A 84 10.806 2.051 -0.301 1.00 0.00 C ATOM 1192 C GLN A 84 10.496 1.463 1.072 1.00 0.00 C ATOM 1193 O GLN A 84 11.319 1.525 1.985 1.00 0.00 O ATOM 1194 CB GLN A 84 12.027 1.354 -0.904 1.00 0.00 C ATOM 1195 CG GLN A 84 11.885 -0.157 -0.988 1.00 0.00 C ATOM 1196 CD GLN A 84 12.635 -0.749 -2.165 1.00 0.00 C ATOM 1197 OE1 GLN A 84 13.864 -0.836 -2.153 1.00 0.00 O ATOM 1198 NE2 GLN A 84 11.899 -1.160 -3.191 1.00 0.00 N ATOM 0 H GLN A 84 11.564 3.781 0.609 1.00 0.00 H new ATOM 0 HA GLN A 84 9.946 1.886 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.204 1.750 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 84 12.905 1.595 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 84 12.253 -0.605 -0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.829 -0.415 -1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.884 -1.069 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.349 -1.567 -4.011 1.00 0.00 H new ATOM 1207 N VAL A 85 9.303 0.893 1.211 1.00 0.00 N ATOM 1208 CA VAL A 85 8.885 0.293 2.472 1.00 0.00 C ATOM 1209 C VAL A 85 8.845 -1.227 2.371 1.00 0.00 C ATOM 1210 O VAL A 85 8.116 -1.785 1.552 1.00 0.00 O ATOM 1211 CB VAL A 85 7.498 0.805 2.904 1.00 0.00 C ATOM 1212 CG1 VAL A 85 7.088 0.182 4.230 1.00 0.00 C ATOM 1213 CG2 VAL A 85 7.495 2.323 2.995 1.00 0.00 C ATOM 0 H VAL A 85 8.609 0.834 0.466 1.00 0.00 H new ATOM 0 HA VAL A 85 9.621 0.585 3.221 1.00 0.00 H new ATOM 0 HB VAL A 85 6.769 0.508 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.106 0.555 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.048 -0.902 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.817 0.446 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.507 2.667 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.235 2.645 3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.741 2.746 2.021 1.00 0.00 H new ATOM 1223 N GLU A 86 9.633 -1.892 3.211 1.00 0.00 N ATOM 1224 CA GLU A 86 9.687 -3.349 3.215 1.00 0.00 C ATOM 1225 C GLU A 86 8.980 -3.916 4.443 1.00 0.00 C ATOM 1226 O GLU A 86 9.181 -3.443 5.562 1.00 0.00 O ATOM 1227 CB GLU A 86 11.140 -3.828 3.183 1.00 0.00 C ATOM 1228 CG GLU A 86 11.282 -5.339 3.109 1.00 0.00 C ATOM 1229 CD GLU A 86 12.595 -5.830 3.686 1.00 0.00 C ATOM 1230 OE1 GLU A 86 13.610 -5.804 2.959 1.00 0.00 O ATOM 1231 OE2 GLU A 86 12.608 -6.241 4.865 1.00 0.00 O ATOM 0 H GLU A 86 10.242 -1.445 3.897 1.00 0.00 H new ATOM 0 HA GLU A 86 9.174 -3.709 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.642 -3.382 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.652 -3.467 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.456 -5.805 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.205 -5.657 2.069 1.00 0.00 H new ATOM 1238 N TYR A 87 8.153 -4.932 4.225 1.00 0.00 N ATOM 1239 CA TYR A 87 7.413 -5.562 5.313 1.00 0.00 C ATOM 1240 C TYR A 87 7.186 -7.044 5.030 1.00 0.00 C ATOM 1241 O TYR A 87 7.142 -7.469 3.874 1.00 0.00 O ATOM 1242 CB TYR A 87 6.071 -4.859 5.519 1.00 0.00 C ATOM 1243 CG TYR A 87 5.073 -5.122 4.413 1.00 0.00 C ATOM 1244 CD1 TYR A 87 4.253 -6.242 4.443 1.00 0.00 C ATOM 1245 CD2 TYR A 87 4.951 -4.248 3.340 1.00 0.00 C ATOM 1246 CE1 TYR A 87 3.341 -6.486 3.434 1.00 0.00 C ATOM 1247 CE2 TYR A 87 4.041 -4.483 2.327 1.00 0.00 C ATOM 1248 CZ TYR A 87 3.238 -5.604 2.379 1.00 0.00 C ATOM 1249 OH TYR A 87 2.330 -5.843 1.373 1.00 0.00 O ATOM 0 H TYR A 87 7.978 -5.337 3.305 1.00 0.00 H new ATOM 0 HA TYR A 87 8.006 -5.471 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.643 -5.183 6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.241 -3.785 5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.329 -6.934 5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.578 -3.370 3.297 1.00 0.00 H new ATOM 0 HE1 TYR A 87 2.712 -7.363 3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.959 -3.794 1.500 1.00 0.00 H new ATOM 0 HH TYR A 87 2.450 -5.181 0.660 1.00 0.00 H new ATOM 1259 N THR A 88 7.041 -7.828 6.094 1.00 0.00 N ATOM 1260 CA THR A 88 6.819 -9.262 5.962 1.00 0.00 C ATOM 1261 C THR A 88 5.509 -9.678 6.621 1.00 0.00 C ATOM 1262 O THR A 88 5.431 -9.873 7.835 1.00 0.00 O ATOM 1263 CB THR A 88 7.973 -10.069 6.586 1.00 0.00 C ATOM 1264 OG1 THR A 88 9.230 -9.497 6.209 1.00 0.00 O ATOM 1265 CG2 THR A 88 7.918 -11.523 6.142 1.00 0.00 C ATOM 0 H THR A 88 7.073 -7.493 7.057 1.00 0.00 H new ATOM 0 HA THR A 88 6.770 -9.477 4.895 1.00 0.00 H new ATOM 0 HB THR A 88 7.868 -10.033 7.670 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.959 -10.015 6.611 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.743 -12.073 6.595 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.972 -11.964 6.456 1.00 0.00 H new ATOM 0 HG23 THR A 88 8.000 -11.575 5.056 1.00 0.00 H new ATOM 1273 N PRO A 89 4.453 -9.819 5.805 1.00 0.00 N ATOM 1274 CA PRO A 89 3.127 -10.215 6.288 1.00 0.00 C ATOM 1275 C PRO A 89 3.088 -11.667 6.750 1.00 0.00 C ATOM 1276 O PRO A 89 3.508 -12.571 6.026 1.00 0.00 O ATOM 1277 CB PRO A 89 2.231 -10.019 5.063 1.00 0.00 C ATOM 1278 CG PRO A 89 3.149 -10.151 3.897 1.00 0.00 C ATOM 1279 CD PRO A 89 4.474 -9.603 4.349 1.00 0.00 C ATOM 0 HA PRO A 89 2.819 -9.633 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.438 -10.766 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.748 -9.042 5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.242 -11.193 3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.770 -9.598 3.038 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.307 -10.125 3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.578 -8.547 4.101 1.00 0.00 H new ATOM 1287 N PHE A 90 2.580 -11.886 7.958 1.00 0.00 N ATOM 1288 CA PHE A 90 2.487 -13.230 8.517 1.00 0.00 C ATOM 1289 C PHE A 90 1.062 -13.765 8.411 1.00 0.00 C ATOM 1290 O PHE A 90 0.627 -14.569 9.235 1.00 0.00 O ATOM 1291 CB PHE A 90 2.936 -13.229 9.979 1.00 0.00 C ATOM 1292 CG PHE A 90 2.504 -12.008 10.739 1.00 0.00 C ATOM 1293 CD1 PHE A 90 1.221 -11.915 11.254 1.00 0.00 C ATOM 1294 CD2 PHE A 90 3.380 -10.953 10.938 1.00 0.00 C ATOM 1295 CE1 PHE A 90 0.819 -10.793 11.954 1.00 0.00 C ATOM 1296 CE2 PHE A 90 2.984 -9.829 11.638 1.00 0.00 C ATOM 1297 CZ PHE A 90 1.702 -9.748 12.146 1.00 0.00 C ATOM 0 H PHE A 90 2.226 -11.150 8.569 1.00 0.00 H new ATOM 0 HA PHE A 90 3.145 -13.882 7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.537 -14.115 10.474 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.023 -13.305 10.017 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.527 -12.729 11.107 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.383 -11.010 10.542 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.184 -10.733 12.350 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.677 -9.014 11.788 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.391 -8.870 12.692 1.00 0.00 H new ATOM 1307 N GLU A 91 0.340 -13.311 7.391 1.00 0.00 N ATOM 1308 CA GLU A 91 -1.037 -13.743 7.178 1.00 0.00 C ATOM 1309 C GLU A 91 -1.415 -13.646 5.703 1.00 0.00 C ATOM 1310 O GLU A 91 -1.206 -12.616 5.063 1.00 0.00 O ATOM 1311 CB GLU A 91 -1.995 -12.897 8.019 1.00 0.00 C ATOM 1312 CG GLU A 91 -2.161 -13.400 9.443 1.00 0.00 C ATOM 1313 CD GLU A 91 -3.360 -12.788 10.142 1.00 0.00 C ATOM 1314 OE1 GLU A 91 -3.352 -11.561 10.371 1.00 0.00 O ATOM 1315 OE2 GLU A 91 -4.307 -13.538 10.459 1.00 0.00 O ATOM 0 H GLU A 91 0.685 -12.645 6.700 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.117 -14.785 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.631 -11.870 8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.971 -12.877 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.267 -14.485 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.259 -13.174 10.012 1.00 0.00 H new ATOM 1322 N LYS A 92 -1.975 -14.727 5.170 1.00 0.00 N ATOM 1323 CA LYS A 92 -2.384 -14.766 3.771 1.00 0.00 C ATOM 1324 C LYS A 92 -3.757 -14.127 3.588 1.00 0.00 C ATOM 1325 O LYS A 92 -4.785 -14.782 3.755 1.00 0.00 O ATOM 1326 CB LYS A 92 -2.412 -16.211 3.267 1.00 0.00 C ATOM 1327 CG LYS A 92 -1.095 -16.945 3.452 1.00 0.00 C ATOM 1328 CD LYS A 92 -1.223 -18.418 3.099 1.00 0.00 C ATOM 1329 CE LYS A 92 0.019 -19.197 3.503 1.00 0.00 C ATOM 1330 NZ LYS A 92 1.082 -19.125 2.463 1.00 0.00 N ATOM 0 H LYS A 92 -2.156 -15.588 5.686 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.657 -14.198 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.198 -16.755 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.674 -16.213 2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.330 -16.485 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.764 -16.845 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.096 -18.838 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.387 -18.523 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.404 -18.804 4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.247 -20.239 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.006 -18.987 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.094 -20.010 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.889 -18.327 1.824 1.00 0.00 H new ATOM 1344 N GLY A 93 -3.765 -12.843 3.242 1.00 0.00 N ATOM 1345 CA GLY A 93 -5.017 -12.137 3.041 1.00 0.00 C ATOM 1346 C GLY A 93 -4.809 -10.704 2.593 1.00 0.00 C ATOM 1347 O GLY A 93 -3.677 -10.273 2.370 1.00 0.00 O ATOM 0 H GLY A 93 -2.927 -12.280 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.612 -12.665 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.588 -12.145 3.969 1.00 0.00 H new ATOM 1351 N LEU A 94 -5.903 -9.963 2.458 1.00 0.00 N ATOM 1352 CA LEU A 94 -5.837 -8.570 2.032 1.00 0.00 C ATOM 1353 C LEU A 94 -5.681 -7.640 3.231 1.00 0.00 C ATOM 1354 O LEU A 94 -6.571 -7.547 4.078 1.00 0.00 O ATOM 1355 CB LEU A 94 -7.093 -8.197 1.242 1.00 0.00 C ATOM 1356 CG LEU A 94 -7.386 -6.701 1.115 1.00 0.00 C ATOM 1357 CD1 LEU A 94 -6.386 -6.039 0.181 1.00 0.00 C ATOM 1358 CD2 LEU A 94 -8.808 -6.477 0.623 1.00 0.00 C ATOM 0 H LEU A 94 -6.847 -10.304 2.638 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.964 -8.454 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.005 -8.616 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.951 -8.676 1.714 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.288 -6.245 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.610 -4.975 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.378 -6.170 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.452 -6.497 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.999 -5.407 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.934 -6.946 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.511 -6.917 1.330 1.00 0.00 H new ATOM 1370 N HIS A 95 -4.546 -6.952 3.296 1.00 0.00 N ATOM 1371 CA HIS A 95 -4.275 -6.026 4.391 1.00 0.00 C ATOM 1372 C HIS A 95 -4.484 -4.582 3.945 1.00 0.00 C ATOM 1373 O HIS A 95 -4.450 -4.278 2.753 1.00 0.00 O ATOM 1374 CB HIS A 95 -2.846 -6.213 4.902 1.00 0.00 C ATOM 1375 CG HIS A 95 -2.317 -7.600 4.708 1.00 0.00 C ATOM 1376 ND1 HIS A 95 -3.029 -8.732 5.045 1.00 0.00 N ATOM 1377 CD2 HIS A 95 -1.137 -8.036 4.207 1.00 0.00 C ATOM 1378 CE1 HIS A 95 -2.310 -9.803 4.761 1.00 0.00 C ATOM 1379 NE2 HIS A 95 -1.158 -9.408 4.251 1.00 0.00 N ATOM 0 H HIS A 95 -3.799 -7.018 2.604 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.973 -6.242 5.199 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.191 -5.508 4.390 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.813 -5.966 5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.330 -7.419 3.841 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.613 -10.828 4.919 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.406 -10.023 3.940 1.00 0.00 H new ATOM 1387 N VAL A 96 -4.701 -3.695 4.912 1.00 0.00 N ATOM 1388 CA VAL A 96 -4.915 -2.283 4.619 1.00 0.00 C ATOM 1389 C VAL A 96 -3.699 -1.450 5.009 1.00 0.00 C ATOM 1390 O VAL A 96 -3.500 -1.133 6.181 1.00 0.00 O ATOM 1391 CB VAL A 96 -6.154 -1.739 5.356 1.00 0.00 C ATOM 1392 CG1 VAL A 96 -6.168 -0.218 5.326 1.00 0.00 C ATOM 1393 CG2 VAL A 96 -7.427 -2.304 4.746 1.00 0.00 C ATOM 0 H VAL A 96 -4.733 -3.930 5.904 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.076 -2.204 3.544 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.105 -2.058 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.050 0.148 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.271 0.164 5.813 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.193 0.125 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.292 -1.909 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.486 -2.017 3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.417 -3.391 4.825 1.00 0.00 H new ATOM 1403 N VAL A 97 -2.888 -1.098 4.017 1.00 0.00 N ATOM 1404 CA VAL A 97 -1.691 -0.300 4.255 1.00 0.00 C ATOM 1405 C VAL A 97 -1.995 1.190 4.154 1.00 0.00 C ATOM 1406 O VAL A 97 -2.441 1.673 3.114 1.00 0.00 O ATOM 1407 CB VAL A 97 -0.573 -0.654 3.256 1.00 0.00 C ATOM 1408 CG1 VAL A 97 0.605 0.296 3.414 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -0.132 -2.098 3.440 1.00 0.00 C ATOM 0 H VAL A 97 -3.038 -1.353 3.041 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.352 -0.531 5.265 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.965 -0.544 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.385 0.030 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.276 1.318 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.000 0.221 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.658 -2.331 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.242 -2.238 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.980 -2.762 3.272 1.00 0.00 H new ATOM 1419 N GLU A 98 -1.749 1.914 5.242 1.00 0.00 N ATOM 1420 CA GLU A 98 -1.998 3.350 5.275 1.00 0.00 C ATOM 1421 C GLU A 98 -0.737 4.129 4.912 1.00 0.00 C ATOM 1422 O GLU A 98 0.380 3.669 5.148 1.00 0.00 O ATOM 1423 CB GLU A 98 -2.490 3.773 6.661 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.003 3.755 6.801 1.00 0.00 C ATOM 1425 CD GLU A 98 -4.673 4.881 6.038 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -4.103 5.992 6.000 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -5.767 4.653 5.481 1.00 0.00 O ATOM 0 H GLU A 98 -1.378 1.530 6.111 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.769 3.576 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.056 3.110 7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.125 4.778 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.386 2.800 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.267 3.828 7.856 1.00 0.00 H new ATOM 1434 N VAL A 99 -0.924 5.311 4.334 1.00 0.00 N ATOM 1435 CA VAL A 99 0.197 6.155 3.938 1.00 0.00 C ATOM 1436 C VAL A 99 -0.131 7.631 4.131 1.00 0.00 C ATOM 1437 O VAL A 99 -1.198 8.099 3.733 1.00 0.00 O ATOM 1438 CB VAL A 99 0.588 5.915 2.467 1.00 0.00 C ATOM 1439 CG1 VAL A 99 1.913 6.591 2.150 1.00 0.00 C ATOM 1440 CG2 VAL A 99 0.655 4.425 2.171 1.00 0.00 C ATOM 0 H VAL A 99 -1.842 5.706 4.129 1.00 0.00 H new ATOM 0 HA VAL A 99 1.037 5.886 4.578 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.178 6.355 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.173 6.411 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.824 7.664 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.692 6.184 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.932 4.273 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.400 3.959 2.816 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.319 3.973 2.357 1.00 0.00 H new ATOM 1450 N THR A 100 0.795 8.362 4.744 1.00 0.00 N ATOM 1451 CA THR A 100 0.605 9.786 4.991 1.00 0.00 C ATOM 1452 C THR A 100 1.880 10.569 4.703 1.00 0.00 C ATOM 1453 O THR A 100 2.963 10.202 5.160 1.00 0.00 O ATOM 1454 CB THR A 100 0.170 10.051 6.445 1.00 0.00 C ATOM 1455 OG1 THR A 100 1.010 9.322 7.348 1.00 0.00 O ATOM 1456 CG2 THR A 100 -1.281 9.649 6.659 1.00 0.00 C ATOM 0 H THR A 100 1.684 7.991 5.079 1.00 0.00 H new ATOM 0 HA THR A 100 -0.183 10.121 4.317 1.00 0.00 H new ATOM 0 HB THR A 100 0.267 11.119 6.640 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.893 9.195 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.564 9.846 7.693 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.921 10.226 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 100 -1.399 8.587 6.446 1.00 0.00 H new ATOM 1464 N TYR A 101 1.746 11.650 3.943 1.00 0.00 N ATOM 1465 CA TYR A 101 2.889 12.485 3.593 1.00 0.00 C ATOM 1466 C TYR A 101 2.782 13.858 4.249 1.00 0.00 C ATOM 1467 O TYR A 101 2.031 14.720 3.792 1.00 0.00 O ATOM 1468 CB TYR A 101 2.987 12.639 2.074 1.00 0.00 C ATOM 1469 CG TYR A 101 4.311 13.201 1.607 1.00 0.00 C ATOM 1470 CD1 TYR A 101 4.646 14.529 1.842 1.00 0.00 C ATOM 1471 CD2 TYR A 101 5.227 12.405 0.931 1.00 0.00 C ATOM 1472 CE1 TYR A 101 5.854 15.047 1.417 1.00 0.00 C ATOM 1473 CE2 TYR A 101 6.438 12.914 0.504 1.00 0.00 C ATOM 1474 CZ TYR A 101 6.747 14.236 0.749 1.00 0.00 C ATOM 1475 OH TYR A 101 7.952 14.747 0.323 1.00 0.00 O ATOM 0 H TYR A 101 0.857 11.969 3.557 1.00 0.00 H new ATOM 0 HA TYR A 101 3.791 11.996 3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.830 11.666 1.608 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.184 13.291 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.950 15.167 2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.988 11.370 0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.098 16.082 1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.139 12.280 -0.019 1.00 0.00 H new ATOM 0 HH TYR A 101 8.600 14.018 0.226 1.00 0.00 H new ATOM 1485 N ASP A 102 3.540 14.054 5.322 1.00 0.00 N ATOM 1486 CA ASP A 102 3.534 15.323 6.042 1.00 0.00 C ATOM 1487 C ASP A 102 2.172 15.579 6.679 1.00 0.00 C ATOM 1488 O ASP A 102 1.633 16.683 6.594 1.00 0.00 O ATOM 1489 CB ASP A 102 3.893 16.471 5.097 1.00 0.00 C ATOM 1490 CG ASP A 102 4.269 17.737 5.842 1.00 0.00 C ATOM 1491 OD1 ASP A 102 4.897 17.629 6.916 1.00 0.00 O ATOM 1492 OD2 ASP A 102 3.937 18.835 5.350 1.00 0.00 O ATOM 0 H ASP A 102 4.167 13.351 5.713 1.00 0.00 H new ATOM 0 HA ASP A 102 4.281 15.268 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.724 16.167 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.047 16.676 4.441 1.00 0.00 H new ATOM 1497 N ASP A 103 1.620 14.552 7.316 1.00 0.00 N ATOM 1498 CA ASP A 103 0.320 14.665 7.968 1.00 0.00 C ATOM 1499 C ASP A 103 -0.793 14.824 6.937 1.00 0.00 C ATOM 1500 O ASP A 103 -1.844 15.397 7.226 1.00 0.00 O ATOM 1501 CB ASP A 103 0.312 15.852 8.933 1.00 0.00 C ATOM 1502 CG ASP A 103 1.605 15.972 9.714 1.00 0.00 C ATOM 1503 OD1 ASP A 103 1.979 14.994 10.396 1.00 0.00 O ATOM 1504 OD2 ASP A 103 2.244 17.043 9.645 1.00 0.00 O ATOM 0 H ASP A 103 2.052 13.632 7.395 1.00 0.00 H new ATOM 0 HA ASP A 103 0.141 13.748 8.530 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.143 16.771 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.521 15.745 9.628 1.00 0.00 H new ATOM 1509 N VAL A 104 -0.554 14.315 5.733 1.00 0.00 N ATOM 1510 CA VAL A 104 -1.536 14.400 4.658 1.00 0.00 C ATOM 1511 C VAL A 104 -1.686 13.062 3.943 1.00 0.00 C ATOM 1512 O VAL A 104 -0.777 12.589 3.262 1.00 0.00 O ATOM 1513 CB VAL A 104 -1.151 15.479 3.629 1.00 0.00 C ATOM 1514 CG1 VAL A 104 -2.210 15.584 2.543 1.00 0.00 C ATOM 1515 CG2 VAL A 104 -0.945 16.820 4.316 1.00 0.00 C ATOM 0 H VAL A 104 0.311 13.839 5.477 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.486 14.671 5.119 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.211 15.189 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.920 16.352 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.303 14.626 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.167 15.850 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.673 17.571 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.867 17.119 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.146 16.733 5.053 1.00 0.00 H new ATOM 1525 N PRO A 105 -2.862 12.436 4.100 1.00 0.00 N ATOM 1526 CA PRO A 105 -3.160 11.143 3.476 1.00 0.00 C ATOM 1527 C PRO A 105 -3.308 11.250 1.963 1.00 0.00 C ATOM 1528 O PRO A 105 -3.883 12.213 1.453 1.00 0.00 O ATOM 1529 CB PRO A 105 -4.490 10.738 4.117 1.00 0.00 C ATOM 1530 CG PRO A 105 -5.122 12.025 4.522 1.00 0.00 C ATOM 1531 CD PRO A 105 -3.991 12.941 4.899 1.00 0.00 C ATOM 0 HA PRO A 105 -2.359 10.421 3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.119 10.192 3.413 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.333 10.086 4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.709 12.445 3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.802 11.879 5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.219 13.980 4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.778 12.898 5.967 1.00 0.00 H new ATOM 1539 N ILE A 106 -2.787 10.257 1.250 1.00 0.00 N ATOM 1540 CA ILE A 106 -2.863 10.240 -0.206 1.00 0.00 C ATOM 1541 C ILE A 106 -4.218 9.725 -0.679 1.00 0.00 C ATOM 1542 O ILE A 106 -4.900 8.971 0.015 1.00 0.00 O ATOM 1543 CB ILE A 106 -1.752 9.367 -0.818 1.00 0.00 C ATOM 1544 CG1 ILE A 106 -1.779 7.965 -0.205 1.00 0.00 C ATOM 1545 CG2 ILE A 106 -0.392 10.017 -0.608 1.00 0.00 C ATOM 1546 CD1 ILE A 106 -0.812 7.002 -0.857 1.00 0.00 C ATOM 0 H ILE A 106 -2.308 9.454 1.657 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.731 11.269 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.929 9.278 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.546 8.037 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.789 7.562 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.383 9.388 -1.046 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.379 10.996 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.205 10.133 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.885 6.029 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.057 6.900 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.204 7.382 -0.755 1.00 0.00 H new ATOM 1558 N PRO A 107 -4.618 10.139 -1.891 1.00 0.00 N ATOM 1559 CA PRO A 107 -5.894 9.729 -2.486 1.00 0.00 C ATOM 1560 C PRO A 107 -5.904 8.256 -2.878 1.00 0.00 C ATOM 1561 O PRO A 107 -6.868 7.767 -3.465 1.00 0.00 O ATOM 1562 CB PRO A 107 -6.005 10.615 -3.730 1.00 0.00 C ATOM 1563 CG PRO A 107 -4.598 10.957 -4.078 1.00 0.00 C ATOM 1564 CD PRO A 107 -3.856 11.038 -2.773 1.00 0.00 C ATOM 0 HA PRO A 107 -6.724 9.843 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.498 10.089 -4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.592 11.511 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.162 10.199 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.548 11.904 -4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.821 10.714 -2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.834 12.057 -2.386 1.00 0.00 H new ATOM 1572 N ASN A 108 -4.825 7.553 -2.549 1.00 0.00 N ATOM 1573 CA ASN A 108 -4.710 6.135 -2.867 1.00 0.00 C ATOM 1574 C ASN A 108 -4.835 5.283 -1.608 1.00 0.00 C ATOM 1575 O ASN A 108 -5.034 4.070 -1.683 1.00 0.00 O ATOM 1576 CB ASN A 108 -3.374 5.852 -3.557 1.00 0.00 C ATOM 1577 CG ASN A 108 -3.095 6.815 -4.694 1.00 0.00 C ATOM 1578 OD1 ASN A 108 -3.243 6.469 -5.866 1.00 0.00 O ATOM 1579 ND2 ASN A 108 -2.689 8.033 -4.352 1.00 0.00 N ATOM 0 H ASN A 108 -4.018 7.943 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 108 -5.523 5.873 -3.544 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.569 5.916 -2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.375 4.832 -3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -2.486 8.724 -5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -2.580 8.277 -3.368 1.00 0.00 H new ATOM 1586 N SER A 109 -4.719 5.926 -0.450 1.00 0.00 N ATOM 1587 CA SER A 109 -4.816 5.228 0.826 1.00 0.00 C ATOM 1588 C SER A 109 -6.230 5.323 1.391 1.00 0.00 C ATOM 1589 O SER A 109 -6.959 6.286 1.151 1.00 0.00 O ATOM 1590 CB SER A 109 -3.814 5.807 1.826 1.00 0.00 C ATOM 1591 OG SER A 109 -3.116 4.777 2.504 1.00 0.00 O ATOM 0 H SER A 109 -4.558 6.930 -0.370 1.00 0.00 H new ATOM 0 HA SER A 109 -4.582 4.177 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.104 6.449 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.337 6.433 2.549 1.00 0.00 H new ATOM 0 HG SER A 109 -2.655 4.210 1.851 1.00 0.00 H new ATOM 1597 N PRO A 110 -6.628 4.300 2.162 1.00 0.00 N ATOM 1598 CA PRO A 110 -5.770 3.148 2.455 1.00 0.00 C ATOM 1599 C PRO A 110 -5.545 2.267 1.231 1.00 0.00 C ATOM 1600 O PRO A 110 -6.338 2.282 0.289 1.00 0.00 O ATOM 1601 CB PRO A 110 -6.553 2.386 3.526 1.00 0.00 C ATOM 1602 CG PRO A 110 -7.975 2.769 3.301 1.00 0.00 C ATOM 1603 CD PRO A 110 -7.948 4.188 2.806 1.00 0.00 C ATOM 0 HA PRO A 110 -4.773 3.453 2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.413 1.310 3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.223 2.660 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.446 2.110 2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.551 2.688 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.757 4.383 2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.058 4.901 3.623 1.00 0.00 H new ATOM 1611 N PHE A 111 -4.461 1.499 1.251 1.00 0.00 N ATOM 1612 CA PHE A 111 -4.131 0.611 0.142 1.00 0.00 C ATOM 1613 C PHE A 111 -4.682 -0.791 0.386 1.00 0.00 C ATOM 1614 O PHE A 111 -5.100 -1.122 1.496 1.00 0.00 O ATOM 1615 CB PHE A 111 -2.615 0.549 -0.056 1.00 0.00 C ATOM 1616 CG PHE A 111 -2.053 1.752 -0.758 1.00 0.00 C ATOM 1617 CD1 PHE A 111 -2.107 1.853 -2.139 1.00 0.00 C ATOM 1618 CD2 PHE A 111 -1.468 2.781 -0.037 1.00 0.00 C ATOM 1619 CE1 PHE A 111 -1.590 2.959 -2.787 1.00 0.00 C ATOM 1620 CE2 PHE A 111 -0.950 3.889 -0.680 1.00 0.00 C ATOM 1621 CZ PHE A 111 -1.010 3.977 -2.057 1.00 0.00 C ATOM 0 H PHE A 111 -3.795 1.473 2.024 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.592 1.011 -0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.133 0.448 0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.368 -0.345 -0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.558 1.059 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.416 2.716 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.640 3.027 -3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.499 4.685 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.604 4.841 -2.562 1.00 0.00 H new ATOM 1631 N LYS A 112 -4.680 -1.611 -0.659 1.00 0.00 N ATOM 1632 CA LYS A 112 -5.178 -2.978 -0.561 1.00 0.00 C ATOM 1633 C LYS A 112 -4.160 -3.969 -1.117 1.00 0.00 C ATOM 1634 O LYS A 112 -3.978 -4.071 -2.331 1.00 0.00 O ATOM 1635 CB LYS A 112 -6.503 -3.115 -1.313 1.00 0.00 C ATOM 1636 CG LYS A 112 -7.718 -2.754 -0.475 1.00 0.00 C ATOM 1637 CD LYS A 112 -8.882 -2.307 -1.344 1.00 0.00 C ATOM 1638 CE LYS A 112 -9.729 -3.488 -1.791 1.00 0.00 C ATOM 1639 NZ LYS A 112 -10.725 -3.881 -0.756 1.00 0.00 N ATOM 0 H LYS A 112 -4.339 -1.352 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.341 -3.204 0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.478 -2.476 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.607 -4.141 -1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.018 -3.615 0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.457 -1.958 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.502 -1.602 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.503 -1.778 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.247 -3.234 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.081 -4.336 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.963 -4.887 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.323 -3.723 0.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.585 -3.307 -0.867 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.501 -4.698 -0.223 1.00 0.00 N ATOM 1654 CA VAL A 113 -2.504 -5.683 -0.625 1.00 0.00 C ATOM 1655 C VAL A 113 -3.032 -7.103 -0.448 1.00 0.00 C ATOM 1656 O VAL A 113 -3.038 -7.640 0.659 1.00 0.00 O ATOM 1657 CB VAL A 113 -1.202 -5.526 0.182 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.185 -6.577 -0.236 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.636 -4.125 0.012 1.00 0.00 C ATOM 0 H VAL A 113 -3.639 -4.625 0.785 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.292 -5.506 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.428 -5.675 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.729 -6.450 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.594 -7.571 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.041 -6.464 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.284 -4.032 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.423 -3.944 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.362 -3.394 0.366 1.00 0.00 H new ATOM 1669 N ALA A 114 -3.473 -7.706 -1.547 1.00 0.00 N ATOM 1670 CA ALA A 114 -4.000 -9.064 -1.514 1.00 0.00 C ATOM 1671 C ALA A 114 -2.877 -10.091 -1.613 1.00 0.00 C ATOM 1672 O ALA A 114 -2.328 -10.324 -2.690 1.00 0.00 O ATOM 1673 CB ALA A 114 -5.005 -9.268 -2.638 1.00 0.00 C ATOM 0 H ALA A 114 -3.476 -7.275 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.506 -9.208 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.390 -10.287 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.829 -8.564 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.517 -9.099 -3.598 1.00 0.00 H new ATOM 1679 N VAL A 115 -2.539 -10.703 -0.482 1.00 0.00 N ATOM 1680 CA VAL A 115 -1.482 -11.706 -0.441 1.00 0.00 C ATOM 1681 C VAL A 115 -1.998 -13.068 -0.893 1.00 0.00 C ATOM 1682 O VAL A 115 -3.190 -13.359 -0.788 1.00 0.00 O ATOM 1683 CB VAL A 115 -0.887 -11.838 0.973 1.00 0.00 C ATOM 1684 CG1 VAL A 115 0.076 -13.013 1.040 1.00 0.00 C ATOM 1685 CG2 VAL A 115 -0.195 -10.546 1.382 1.00 0.00 C ATOM 0 H VAL A 115 -2.983 -10.521 0.418 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.702 -11.371 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.700 -12.026 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.486 -13.090 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.454 -13.933 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.887 -12.860 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.220 -10.657 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.608 -10.325 0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.917 -9.729 1.376 1.00 0.00 H new ATOM 1695 N THR A 116 -1.092 -13.901 -1.396 1.00 0.00 N ATOM 1696 CA THR A 116 -1.455 -15.232 -1.864 1.00 0.00 C ATOM 1697 C THR A 116 -0.409 -16.263 -1.456 1.00 0.00 C ATOM 1698 O THR A 116 0.665 -15.911 -0.970 1.00 0.00 O ATOM 1699 CB THR A 116 -1.620 -15.263 -3.395 1.00 0.00 C ATOM 1700 OG1 THR A 116 -1.967 -16.585 -3.824 1.00 0.00 O ATOM 1701 CG2 THR A 116 -0.339 -14.821 -4.087 1.00 0.00 C ATOM 0 H THR A 116 -0.101 -13.677 -1.489 1.00 0.00 H new ATOM 0 HA THR A 116 -2.408 -15.482 -1.398 1.00 0.00 H new ATOM 0 HB THR A 116 -2.418 -14.572 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.072 -16.596 -4.798 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.480 -14.851 -5.167 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.093 -13.804 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.475 -15.491 -3.809 1.00 0.00 H new ATOM 1709 N GLU A 117 -0.730 -17.537 -1.657 1.00 0.00 N ATOM 1710 CA GLU A 117 0.184 -18.619 -1.309 1.00 0.00 C ATOM 1711 C GLU A 117 1.385 -18.640 -2.249 1.00 0.00 C ATOM 1712 O GLU A 117 1.232 -18.667 -3.470 1.00 0.00 O ATOM 1713 CB GLU A 117 -0.541 -19.965 -1.360 1.00 0.00 C ATOM 1714 CG GLU A 117 -1.300 -20.296 -0.086 1.00 0.00 C ATOM 1715 CD GLU A 117 -2.682 -19.673 -0.051 1.00 0.00 C ATOM 1716 OE1 GLU A 117 -2.772 -18.428 -0.065 1.00 0.00 O ATOM 1717 OE2 GLU A 117 -3.673 -20.432 -0.011 1.00 0.00 O ATOM 0 H GLU A 117 -1.615 -17.845 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 117 0.542 -18.446 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.238 -19.961 -2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.187 -20.753 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.391 -21.378 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -0.727 -19.949 0.774 1.00 0.00 H new