USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 625 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 29 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0.026) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -62:sc= 1.09 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 32:sc= 0.0262 USER MOD Single : A 36 ASN : amide:sc= -1.31 K(o=-1.3,f=-5.1!) USER MOD Single : A 37 SER OG : rot -4:sc= -4.47! USER MOD Single : A 38 ASN : amide:sc= -5.23! C(o=-5.2!,f=-8.3!) USER MOD Single : A 43 LYS NZ :NH3+ -150:sc= 1.02 (180deg=-0.741!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -2.49 K(o=-2.5,f=-0.64) USER MOD Single : A 47 SER OG : rot -17:sc= 0.934 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.24! K(o=-3.2!,f=-2) USER MOD Single : A 52 CYS SG : rot 31:sc= -0.379 USER MOD Single : A 53 ASN : amide:sc= -0.175 K(o=-0.18,f=-2.3!) USER MOD Single : A 62 THR OG1 : rot -49:sc= 0.668 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc=-0.00988 X(o=-0.0099,f=-0.0052) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -1.55 K(o=-1.5,f=-0.74) USER MOD Single : A 81 SER OG : rot 69:sc= 0.649 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.141 K(o=-0.14,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 175 N ARG A 16 0.926 5.926 15.146 1.00 0.00 N ATOM 176 CA ARG A 16 1.991 6.806 14.696 1.00 0.00 C ATOM 177 C ARG A 16 2.200 6.658 13.187 1.00 0.00 C ATOM 178 O ARG A 16 2.726 5.646 12.726 1.00 0.00 O ATOM 179 CB ARG A 16 3.304 6.496 15.418 1.00 0.00 C ATOM 180 CG ARG A 16 3.559 7.498 16.546 1.00 0.00 C ATOM 181 CD ARG A 16 4.660 8.488 16.160 1.00 0.00 C ATOM 182 NE ARG A 16 4.246 9.866 16.505 1.00 0.00 N ATOM 183 CZ ARG A 16 3.994 10.285 17.752 1.00 0.00 C ATOM 184 NH1 ARG A 16 4.113 9.435 18.781 1.00 0.00 N ATOM 185 NH2 ARG A 16 3.623 11.554 17.971 1.00 0.00 N ATOM 0 HA ARG A 16 1.695 7.829 14.927 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.269 5.486 15.825 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.130 6.525 14.707 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.640 8.040 16.771 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.845 6.965 17.453 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.585 8.237 16.679 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.865 8.418 15.092 1.00 0.00 H new ATOM 0 HE ARG A 16 4.146 10.539 15.745 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.395 8.469 18.615 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.921 9.754 19.731 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.532 12.201 17.188 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.431 11.873 18.921 1.00 0.00 H new ATOM 199 N ILE A 17 1.777 7.682 12.461 1.00 0.00 N ATOM 200 CA ILE A 17 1.911 7.678 11.014 1.00 0.00 C ATOM 201 C ILE A 17 3.393 7.760 10.643 1.00 0.00 C ATOM 202 O ILE A 17 4.138 8.552 11.219 1.00 0.00 O ATOM 203 CB ILE A 17 1.060 8.789 10.394 1.00 0.00 C ATOM 204 CG1 ILE A 17 -0.380 8.729 10.910 1.00 0.00 C ATOM 205 CG2 ILE A 17 1.124 8.741 8.867 1.00 0.00 C ATOM 206 CD1 ILE A 17 -1.192 7.681 10.147 1.00 0.00 C ATOM 0 H ILE A 17 1.342 8.520 12.847 1.00 0.00 H new ATOM 0 HA ILE A 17 1.529 6.745 10.599 1.00 0.00 H new ATOM 0 HB ILE A 17 1.473 9.749 10.703 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.379 8.490 11.974 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.850 9.707 10.803 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.511 9.541 8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.156 8.869 8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.750 7.779 8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.211 7.659 10.533 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.211 7.936 9.087 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.733 6.701 10.276 1.00 0.00 H new ATOM 218 N ILE A 18 3.777 6.931 9.683 1.00 0.00 N ATOM 219 CA ILE A 18 5.156 6.900 9.229 1.00 0.00 C ATOM 220 C ILE A 18 5.213 7.308 7.756 1.00 0.00 C ATOM 221 O ILE A 18 4.218 7.205 7.040 1.00 0.00 O ATOM 222 CB ILE A 18 5.783 5.533 9.513 1.00 0.00 C ATOM 223 CG1 ILE A 18 4.892 4.403 8.993 1.00 0.00 C ATOM 224 CG2 ILE A 18 6.102 5.375 11.001 1.00 0.00 C ATOM 225 CD1 ILE A 18 5.673 3.091 8.893 1.00 0.00 C ATOM 0 H ILE A 18 3.157 6.276 9.207 1.00 0.00 H new ATOM 0 HA ILE A 18 5.756 7.622 9.784 1.00 0.00 H new ATOM 0 HB ILE A 18 6.728 5.471 8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.039 4.273 9.658 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.495 4.670 8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.546 4.395 11.176 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.803 6.151 11.307 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.184 5.466 11.582 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.017 2.304 8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.511 3.218 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.048 2.815 9.878 1.00 0.00 H new ATOM 237 N ARG A 19 6.387 7.764 7.345 1.00 0.00 N ATOM 238 CA ARG A 19 6.587 8.189 5.970 1.00 0.00 C ATOM 239 C ARG A 19 7.258 7.075 5.163 1.00 0.00 C ATOM 240 O ARG A 19 8.465 6.864 5.274 1.00 0.00 O ATOM 241 CB ARG A 19 7.451 9.450 5.903 1.00 0.00 C ATOM 242 CG ARG A 19 7.927 9.712 4.472 1.00 0.00 C ATOM 243 CD ARG A 19 8.652 11.056 4.374 1.00 0.00 C ATOM 244 NE ARG A 19 9.969 10.873 3.722 1.00 0.00 N ATOM 245 CZ ARG A 19 10.853 11.861 3.526 1.00 0.00 C ATOM 246 NH1 ARG A 19 10.567 13.106 3.931 1.00 0.00 N ATOM 247 NH2 ARG A 19 12.023 11.603 2.926 1.00 0.00 N ATOM 0 H ARG A 19 7.210 7.849 7.941 1.00 0.00 H new ATOM 0 HA ARG A 19 5.608 8.411 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.880 10.306 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.312 9.341 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.594 8.911 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.074 9.704 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.050 11.763 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.785 11.480 5.369 1.00 0.00 H new ATOM 0 HE ARG A 19 10.219 9.937 3.402 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.677 13.302 4.388 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.240 13.858 3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.240 10.655 2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.696 12.355 2.777 1.00 0.00 H new ATOM 261 N VAL A 20 6.447 6.393 4.369 1.00 0.00 N ATOM 262 CA VAL A 20 6.947 5.306 3.543 1.00 0.00 C ATOM 263 C VAL A 20 7.083 5.791 2.098 1.00 0.00 C ATOM 264 O VAL A 20 6.100 6.198 1.481 1.00 0.00 O ATOM 265 CB VAL A 20 6.038 4.083 3.681 1.00 0.00 C ATOM 266 CG1 VAL A 20 6.579 2.904 2.870 1.00 0.00 C ATOM 267 CG2 VAL A 20 5.853 3.700 5.150 1.00 0.00 C ATOM 0 H VAL A 20 5.447 6.571 4.279 1.00 0.00 H new ATOM 0 HA VAL A 20 7.938 4.997 3.877 1.00 0.00 H new ATOM 0 HB VAL A 20 5.060 4.345 3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.915 2.048 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.634 3.181 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.574 2.642 3.229 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.203 2.828 5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.822 3.466 5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.402 4.533 5.689 1.00 0.00 H new ATOM 277 N SER A 21 8.309 5.730 1.601 1.00 0.00 N ATOM 278 CA SER A 21 8.587 6.157 0.240 1.00 0.00 C ATOM 279 C SER A 21 8.080 5.108 -0.752 1.00 0.00 C ATOM 280 O SER A 21 8.618 4.004 -0.822 1.00 0.00 O ATOM 281 CB SER A 21 10.083 6.403 0.034 1.00 0.00 C ATOM 282 OG SER A 21 10.453 7.742 0.353 1.00 0.00 O ATOM 0 H SER A 21 9.122 5.391 2.116 1.00 0.00 H new ATOM 0 HA SER A 21 8.064 7.097 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.653 5.712 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.346 6.191 -1.002 1.00 0.00 H new ATOM 0 HG SER A 21 11.416 7.858 0.210 1.00 0.00 H new ATOM 288 N VAL A 22 7.050 5.489 -1.493 1.00 0.00 N ATOM 289 CA VAL A 22 6.465 4.595 -2.477 1.00 0.00 C ATOM 290 C VAL A 22 7.147 4.814 -3.829 1.00 0.00 C ATOM 291 O VAL A 22 7.114 5.917 -4.373 1.00 0.00 O ATOM 292 CB VAL A 22 4.949 4.799 -2.533 1.00 0.00 C ATOM 293 CG1 VAL A 22 4.356 4.162 -3.791 1.00 0.00 C ATOM 294 CG2 VAL A 22 4.276 4.251 -1.272 1.00 0.00 C ATOM 0 H VAL A 22 6.606 6.405 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 22 6.630 3.555 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 22 4.756 5.871 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.278 4.321 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.803 4.618 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.565 3.092 -3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.199 4.408 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.482 3.184 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.667 4.770 -0.396 1.00 0.00 H new ATOM 304 N LYS A 23 7.750 3.747 -4.331 1.00 0.00 N ATOM 305 CA LYS A 23 8.439 3.808 -5.609 1.00 0.00 C ATOM 306 C LYS A 23 7.536 3.229 -6.699 1.00 0.00 C ATOM 307 O LYS A 23 7.175 2.054 -6.652 1.00 0.00 O ATOM 308 CB LYS A 23 9.805 3.125 -5.514 1.00 0.00 C ATOM 309 CG LYS A 23 10.864 3.907 -6.293 1.00 0.00 C ATOM 310 CD LYS A 23 11.691 4.793 -5.358 1.00 0.00 C ATOM 311 CE LYS A 23 13.016 4.120 -4.996 1.00 0.00 C ATOM 312 NZ LYS A 23 14.123 4.694 -5.793 1.00 0.00 N ATOM 0 H LYS A 23 7.776 2.835 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 23 8.644 4.843 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.103 3.044 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.736 2.110 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.521 3.213 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.381 4.524 -7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.885 5.752 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.124 4.999 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.219 4.251 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.947 3.047 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.015 4.226 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.935 4.547 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.198 5.713 -5.600 1.00 0.00 H new ATOM 326 N THR A 24 7.197 4.080 -7.656 1.00 0.00 N ATOM 327 CA THR A 24 6.342 3.668 -8.757 1.00 0.00 C ATOM 328 C THR A 24 7.143 3.608 -10.059 1.00 0.00 C ATOM 329 O THR A 24 8.189 4.242 -10.179 1.00 0.00 O ATOM 330 CB THR A 24 5.153 4.628 -8.818 1.00 0.00 C ATOM 331 OG1 THR A 24 5.706 5.832 -9.342 1.00 0.00 O ATOM 332 CG2 THR A 24 4.648 5.023 -7.429 1.00 0.00 C ATOM 0 H THR A 24 7.499 5.054 -7.692 1.00 0.00 H new ATOM 0 HA THR A 24 5.956 2.661 -8.603 1.00 0.00 H new ATOM 0 HB THR A 24 4.342 4.166 -9.381 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.393 6.170 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.804 5.705 -7.529 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.331 4.130 -6.890 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.449 5.515 -6.877 1.00 0.00 H new ATOM 340 N PRO A 25 6.605 2.819 -11.028 1.00 0.00 N ATOM 341 CA PRO A 25 7.258 2.667 -12.317 1.00 0.00 C ATOM 342 C PRO A 25 7.064 3.917 -13.179 1.00 0.00 C ATOM 343 O PRO A 25 6.481 3.845 -14.260 1.00 0.00 O ATOM 344 CB PRO A 25 6.637 1.422 -12.929 1.00 0.00 C ATOM 345 CG PRO A 25 5.339 1.189 -12.172 1.00 0.00 C ATOM 346 CD PRO A 25 5.367 2.052 -10.922 1.00 0.00 C ATOM 0 HA PRO A 25 8.339 2.555 -12.231 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.449 1.562 -13.993 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.304 0.565 -12.833 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.482 1.447 -12.795 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.235 0.137 -11.907 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.498 2.708 -10.874 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.356 1.441 -10.019 1.00 0.00 H new ATOM 354 N GLN A 26 7.566 5.032 -12.669 1.00 0.00 N ATOM 355 CA GLN A 26 7.456 6.295 -13.379 1.00 0.00 C ATOM 356 C GLN A 26 8.048 7.429 -12.540 1.00 0.00 C ATOM 357 O GLN A 26 8.803 8.255 -13.051 1.00 0.00 O ATOM 358 CB GLN A 26 6.001 6.590 -13.751 1.00 0.00 C ATOM 359 CG GLN A 26 5.867 6.888 -15.245 1.00 0.00 C ATOM 360 CD GLN A 26 4.545 7.599 -15.546 1.00 0.00 C ATOM 361 OE1 GLN A 26 4.499 8.783 -15.836 1.00 0.00 O ATOM 362 NE2 GLN A 26 3.476 6.812 -15.460 1.00 0.00 N ATOM 0 H GLN A 26 8.050 5.087 -11.773 1.00 0.00 H new ATOM 0 HA GLN A 26 8.025 6.219 -14.305 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.375 5.737 -13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.639 7.440 -13.173 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.701 7.509 -15.572 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.921 5.958 -15.811 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.585 5.829 -15.212 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.547 7.192 -15.642 1.00 0.00 H new ATOM 371 N ASP A 27 7.684 7.432 -11.266 1.00 0.00 N ATOM 372 CA ASP A 27 8.170 8.451 -10.351 1.00 0.00 C ATOM 373 C ASP A 27 8.177 7.890 -8.927 1.00 0.00 C ATOM 374 O ASP A 27 7.913 6.706 -8.721 1.00 0.00 O ATOM 375 CB ASP A 27 7.265 9.684 -10.369 1.00 0.00 C ATOM 376 CG ASP A 27 7.993 11.018 -10.547 1.00 0.00 C ATOM 377 OD1 ASP A 27 9.183 10.968 -10.927 1.00 0.00 O ATOM 378 OD2 ASP A 27 7.343 12.057 -10.301 1.00 0.00 O ATOM 0 H ASP A 27 7.058 6.745 -10.846 1.00 0.00 H new ATOM 0 HA ASP A 27 9.174 8.736 -10.666 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.540 9.572 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.702 9.716 -9.436 1.00 0.00 H new ATOM 383 N CYS A 28 8.482 8.767 -7.982 1.00 0.00 N ATOM 384 CA CYS A 28 8.527 8.374 -6.584 1.00 0.00 C ATOM 385 C CYS A 28 7.585 9.289 -5.797 1.00 0.00 C ATOM 386 O CYS A 28 7.537 10.493 -6.042 1.00 0.00 O ATOM 387 CB CYS A 28 9.953 8.412 -6.031 1.00 0.00 C ATOM 388 SG CYS A 28 10.719 10.035 -6.387 1.00 0.00 S ATOM 0 H CYS A 28 8.700 9.748 -8.157 1.00 0.00 H new ATOM 0 HA CYS A 28 8.196 7.340 -6.484 1.00 0.00 H new ATOM 0 HB2 CYS A 28 9.940 8.235 -4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.547 7.615 -6.478 1.00 0.00 H new ATOM 0 HG CYS A 28 9.802 10.956 -6.392 1.00 0.00 H new ATOM 394 N HIS A 29 6.860 8.682 -4.870 1.00 0.00 N ATOM 395 CA HIS A 29 5.923 9.426 -4.046 1.00 0.00 C ATOM 396 C HIS A 29 5.961 8.891 -2.613 1.00 0.00 C ATOM 397 O HIS A 29 5.991 7.680 -2.400 1.00 0.00 O ATOM 398 CB HIS A 29 4.520 9.393 -4.654 1.00 0.00 C ATOM 399 CG HIS A 29 3.886 10.755 -4.812 1.00 0.00 C ATOM 400 ND1 HIS A 29 2.618 11.051 -4.344 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.360 11.896 -5.390 1.00 0.00 C ATOM 402 CE1 HIS A 29 2.350 12.316 -4.633 1.00 0.00 C ATOM 403 NE2 HIS A 29 3.430 12.838 -5.282 1.00 0.00 N ATOM 0 H HIS A 29 6.902 7.683 -4.671 1.00 0.00 H new ATOM 0 HA HIS A 29 6.217 10.475 -4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.570 8.911 -5.631 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.878 8.775 -4.026 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.327 12.013 -5.856 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.437 12.841 -4.396 1.00 0.00 H new ATOM 0 HE2 HIS A 29 3.510 13.794 -5.628 1.00 0.00 H new ATOM 411 N GLU A 30 5.959 9.820 -1.668 1.00 0.00 N ATOM 412 CA GLU A 30 5.992 9.456 -0.262 1.00 0.00 C ATOM 413 C GLU A 30 4.581 9.484 0.327 1.00 0.00 C ATOM 414 O GLU A 30 3.819 10.417 0.080 1.00 0.00 O ATOM 415 CB GLU A 30 6.931 10.378 0.520 1.00 0.00 C ATOM 416 CG GLU A 30 6.258 11.719 0.820 1.00 0.00 C ATOM 417 CD GLU A 30 7.281 12.857 0.822 1.00 0.00 C ATOM 418 OE1 GLU A 30 7.921 13.046 -0.235 1.00 0.00 O ATOM 419 OE2 GLU A 30 7.400 13.511 1.880 1.00 0.00 O ATOM 0 H GLU A 30 5.935 10.824 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 30 6.379 8.440 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.224 9.897 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.843 10.545 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.488 11.918 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.760 11.671 1.788 1.00 0.00 H new ATOM 426 N PHE A 31 4.274 8.449 1.096 1.00 0.00 N ATOM 427 CA PHE A 31 2.968 8.342 1.723 1.00 0.00 C ATOM 428 C PHE A 31 3.085 8.391 3.247 1.00 0.00 C ATOM 429 O PHE A 31 4.168 8.198 3.797 1.00 0.00 O ATOM 430 CB PHE A 31 2.383 6.990 1.311 1.00 0.00 C ATOM 431 CG PHE A 31 1.676 7.004 -0.046 1.00 0.00 C ATOM 432 CD1 PHE A 31 2.405 6.962 -1.193 1.00 0.00 C ATOM 433 CD2 PHE A 31 0.319 7.059 -0.104 1.00 0.00 C ATOM 434 CE1 PHE A 31 1.749 6.975 -2.452 1.00 0.00 C ATOM 435 CE2 PHE A 31 -0.338 7.073 -1.363 1.00 0.00 C ATOM 436 CZ PHE A 31 0.391 7.031 -2.511 1.00 0.00 C ATOM 0 H PHE A 31 4.908 7.677 1.299 1.00 0.00 H new ATOM 0 HA PHE A 31 2.335 9.172 1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.185 6.252 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.676 6.664 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.483 6.919 -1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.260 7.092 0.807 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.328 6.940 -3.363 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.416 7.117 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.108 7.042 -3.469 1.00 0.00 H new ATOM 446 N PHE A 32 1.955 8.651 3.888 1.00 0.00 N ATOM 447 CA PHE A 32 1.917 8.728 5.338 1.00 0.00 C ATOM 448 C PHE A 32 0.700 7.987 5.895 1.00 0.00 C ATOM 449 O PHE A 32 -0.417 8.501 5.854 1.00 0.00 O ATOM 450 CB PHE A 32 1.809 10.210 5.705 1.00 0.00 C ATOM 451 CG PHE A 32 3.154 10.937 5.760 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.833 11.198 4.610 1.00 0.00 C ATOM 453 CD2 PHE A 32 3.671 11.321 6.957 1.00 0.00 C ATOM 454 CE1 PHE A 32 5.081 11.873 4.661 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.919 11.996 7.008 1.00 0.00 C ATOM 456 CZ PHE A 32 5.598 12.258 5.859 1.00 0.00 C ATOM 0 H PHE A 32 1.058 8.811 3.429 1.00 0.00 H new ATOM 0 HA PHE A 32 2.812 8.269 5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.168 10.708 4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.320 10.299 6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.423 10.892 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.132 11.113 7.870 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.620 12.081 3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.329 12.301 7.959 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.547 12.772 5.898 1.00 0.00 H new ATOM 466 N LEU A 33 0.957 6.791 6.403 1.00 0.00 N ATOM 467 CA LEU A 33 -0.104 5.974 6.968 1.00 0.00 C ATOM 468 C LEU A 33 0.374 5.367 8.289 1.00 0.00 C ATOM 469 O LEU A 33 1.567 5.379 8.586 1.00 0.00 O ATOM 470 CB LEU A 33 -0.579 4.934 5.950 1.00 0.00 C ATOM 471 CG LEU A 33 0.423 3.832 5.600 1.00 0.00 C ATOM 472 CD1 LEU A 33 1.772 4.427 5.192 1.00 0.00 C ATOM 473 CD2 LEU A 33 0.562 2.832 6.750 1.00 0.00 C ATOM 0 H LEU A 33 1.884 6.368 6.435 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.977 6.586 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.485 4.465 6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.854 5.453 5.032 1.00 0.00 H new ATOM 0 HG LEU A 33 0.040 3.283 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.466 3.622 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.638 5.067 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.174 5.016 6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.280 2.059 6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.911 3.351 7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.406 2.373 6.952 1.00 0.00 H new ATOM 485 N ALA A 34 -0.583 4.853 9.047 1.00 0.00 N ATOM 486 CA ALA A 34 -0.276 4.243 10.329 1.00 0.00 C ATOM 487 C ALA A 34 0.807 3.180 10.137 1.00 0.00 C ATOM 488 O ALA A 34 0.694 2.325 9.260 1.00 0.00 O ATOM 489 CB ALA A 34 -1.555 3.668 10.942 1.00 0.00 C ATOM 0 H ALA A 34 -1.572 4.846 8.798 1.00 0.00 H new ATOM 0 HA ALA A 34 0.112 4.988 11.024 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.324 3.210 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.281 4.468 11.086 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.972 2.915 10.273 1.00 0.00 H new ATOM 495 N GLU A 35 1.833 3.267 10.971 1.00 0.00 N ATOM 496 CA GLU A 35 2.935 2.323 10.904 1.00 0.00 C ATOM 497 C GLU A 35 2.449 0.913 11.245 1.00 0.00 C ATOM 498 O GLU A 35 3.108 -0.071 10.917 1.00 0.00 O ATOM 499 CB GLU A 35 4.078 2.748 11.829 1.00 0.00 C ATOM 500 CG GLU A 35 3.617 2.786 13.288 1.00 0.00 C ATOM 501 CD GLU A 35 4.644 3.501 14.168 1.00 0.00 C ATOM 502 OE1 GLU A 35 5.021 4.633 13.794 1.00 0.00 O ATOM 503 OE2 GLU A 35 5.028 2.901 15.195 1.00 0.00 O ATOM 0 H GLU A 35 1.924 3.977 11.697 1.00 0.00 H new ATOM 0 HA GLU A 35 3.320 2.316 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.912 2.054 11.725 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.443 3.732 11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.656 3.296 13.356 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.465 1.770 13.652 1.00 0.00 H new ATOM 510 N ASN A 36 1.298 0.862 11.900 1.00 0.00 N ATOM 511 CA ASN A 36 0.715 -0.411 12.289 1.00 0.00 C ATOM 512 C ASN A 36 -0.506 -0.697 11.413 1.00 0.00 C ATOM 513 O ASN A 36 -1.525 -1.185 11.901 1.00 0.00 O ATOM 514 CB ASN A 36 0.254 -0.383 13.748 1.00 0.00 C ATOM 515 CG ASN A 36 -0.488 0.918 14.063 1.00 0.00 C ATOM 516 OD1 ASN A 36 -1.264 1.428 13.272 1.00 0.00 O ATOM 517 ND2 ASN A 36 -0.207 1.424 15.261 1.00 0.00 N ATOM 0 H ASN A 36 0.754 1.681 12.171 1.00 0.00 H new ATOM 0 HA ASN A 36 1.476 -1.182 12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.398 -1.234 13.944 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.116 -0.483 14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.651 2.290 15.566 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.453 0.946 15.875 1.00 0.00 H new ATOM 524 N SER A 37 -0.364 -0.383 10.134 1.00 0.00 N ATOM 525 CA SER A 37 -1.442 -0.600 9.185 1.00 0.00 C ATOM 526 C SER A 37 -1.102 -1.774 8.265 1.00 0.00 C ATOM 527 O SER A 37 -0.171 -1.691 7.466 1.00 0.00 O ATOM 528 CB SER A 37 -1.712 0.660 8.360 1.00 0.00 C ATOM 529 OG SER A 37 -2.436 1.639 9.100 1.00 0.00 O ATOM 0 H SER A 37 0.482 0.020 9.732 1.00 0.00 H new ATOM 0 HA SER A 37 -2.347 -0.836 9.745 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.765 1.085 8.027 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.274 0.393 7.465 1.00 0.00 H new ATOM 0 HG SER A 37 -2.673 1.275 9.979 1.00 0.00 H new ATOM 535 N ASN A 38 -1.875 -2.841 8.410 1.00 0.00 N ATOM 536 CA ASN A 38 -1.666 -4.030 7.602 1.00 0.00 C ATOM 537 C ASN A 38 -1.302 -3.615 6.175 1.00 0.00 C ATOM 538 O ASN A 38 -1.655 -2.523 5.733 1.00 0.00 O ATOM 539 CB ASN A 38 -2.936 -4.881 7.537 1.00 0.00 C ATOM 540 CG ASN A 38 -4.180 -4.000 7.405 1.00 0.00 C ATOM 541 OD1 ASN A 38 -4.440 -3.123 8.212 1.00 0.00 O ATOM 542 ND2 ASN A 38 -4.933 -4.282 6.346 1.00 0.00 N ATOM 0 H ASN A 38 -2.646 -2.906 9.074 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.865 -4.611 8.058 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.878 -5.564 6.689 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.014 -5.494 8.435 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.786 -3.751 6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.658 -5.030 5.709 1.00 0.00 H new ATOM 549 N VAL A 39 -0.600 -4.509 5.494 1.00 0.00 N ATOM 550 CA VAL A 39 -0.184 -4.250 4.126 1.00 0.00 C ATOM 551 C VAL A 39 -1.402 -3.839 3.296 1.00 0.00 C ATOM 552 O VAL A 39 -1.342 -2.874 2.536 1.00 0.00 O ATOM 553 CB VAL A 39 0.541 -5.472 3.559 1.00 0.00 C ATOM 554 CG1 VAL A 39 0.624 -5.400 2.033 1.00 0.00 C ATOM 555 CG2 VAL A 39 1.933 -5.620 4.178 1.00 0.00 C ATOM 0 H VAL A 39 -0.309 -5.414 5.864 1.00 0.00 H new ATOM 0 HA VAL A 39 0.526 -3.423 4.093 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.038 -6.357 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.144 -6.280 1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.382 -5.365 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.170 -4.503 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.427 -6.496 3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.524 -4.731 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.840 -5.739 5.258 1.00 0.00 H new ATOM 565 N ARG A 40 -2.478 -4.592 3.471 1.00 0.00 N ATOM 566 CA ARG A 40 -3.708 -4.318 2.747 1.00 0.00 C ATOM 567 C ARG A 40 -4.039 -2.825 2.809 1.00 0.00 C ATOM 568 O ARG A 40 -4.026 -2.140 1.788 1.00 0.00 O ATOM 569 CB ARG A 40 -4.877 -5.117 3.326 1.00 0.00 C ATOM 570 CG ARG A 40 -5.708 -5.758 2.213 1.00 0.00 C ATOM 571 CD ARG A 40 -7.173 -5.893 2.630 1.00 0.00 C ATOM 572 NE ARG A 40 -7.794 -7.043 1.934 1.00 0.00 N ATOM 573 CZ ARG A 40 -8.926 -7.640 2.332 1.00 0.00 C ATOM 574 NH1 ARG A 40 -9.567 -7.201 3.424 1.00 0.00 N ATOM 575 NH2 ARG A 40 -9.416 -8.677 1.639 1.00 0.00 N ATOM 0 H ARG A 40 -2.524 -5.391 4.103 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.556 -4.617 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.498 -5.891 3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.509 -4.461 3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.638 -5.154 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.303 -6.741 1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.241 -6.031 3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.714 -4.977 2.391 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.331 -7.403 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.193 -6.412 3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.429 -7.655 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.927 -9.012 0.809 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.278 -9.131 1.942 1.00 0.00 H new ATOM 589 N ARG A 41 -4.328 -2.365 4.018 1.00 0.00 N ATOM 590 CA ARG A 41 -4.662 -0.967 4.226 1.00 0.00 C ATOM 591 C ARG A 41 -3.695 -0.069 3.452 1.00 0.00 C ATOM 592 O ARG A 41 -4.121 0.773 2.663 1.00 0.00 O ATOM 593 CB ARG A 41 -4.607 -0.603 5.711 1.00 0.00 C ATOM 594 CG ARG A 41 -5.902 -1.002 6.422 1.00 0.00 C ATOM 595 CD ARG A 41 -6.302 0.048 7.461 1.00 0.00 C ATOM 596 NE ARG A 41 -7.543 -0.371 8.151 1.00 0.00 N ATOM 597 CZ ARG A 41 -7.955 0.128 9.324 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.229 1.067 9.945 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.094 -0.312 9.876 1.00 0.00 N ATOM 0 H ARG A 41 -4.338 -2.936 4.863 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.678 -0.811 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.761 -1.104 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.443 0.469 5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.702 -1.118 5.691 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.771 -1.969 6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.499 0.178 8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.453 1.012 6.976 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.120 -1.084 7.705 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.362 1.402 9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.543 1.447 10.838 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.647 -1.027 9.403 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.408 0.068 10.769 1.00 0.00 H new ATOM 613 N PHE A 42 -2.411 -0.280 3.705 1.00 0.00 N ATOM 614 CA PHE A 42 -1.380 0.500 3.041 1.00 0.00 C ATOM 615 C PHE A 42 -1.603 0.529 1.528 1.00 0.00 C ATOM 616 O PHE A 42 -1.418 1.564 0.889 1.00 0.00 O ATOM 617 CB PHE A 42 -0.044 -0.184 3.335 1.00 0.00 C ATOM 618 CG PHE A 42 1.179 0.633 2.913 1.00 0.00 C ATOM 619 CD1 PHE A 42 1.022 1.899 2.441 1.00 0.00 C ATOM 620 CD2 PHE A 42 2.424 0.093 3.009 1.00 0.00 C ATOM 621 CE1 PHE A 42 2.157 2.657 2.050 1.00 0.00 C ATOM 622 CE2 PHE A 42 3.559 0.851 2.617 1.00 0.00 C ATOM 623 CZ PHE A 42 3.402 2.117 2.146 1.00 0.00 C ATOM 0 H PHE A 42 -2.062 -0.979 4.360 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.400 1.528 3.403 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.020 -0.389 4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.020 -1.146 2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.034 2.328 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.549 -0.912 3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.032 3.663 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.547 0.422 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.265 2.694 1.848 1.00 0.00 H new ATOM 633 N LYS A 43 -1.998 -0.619 0.998 1.00 0.00 N ATOM 634 CA LYS A 43 -2.248 -0.739 -0.428 1.00 0.00 C ATOM 635 C LYS A 43 -3.418 0.168 -0.814 1.00 0.00 C ATOM 636 O LYS A 43 -3.331 0.922 -1.782 1.00 0.00 O ATOM 637 CB LYS A 43 -2.452 -2.205 -0.816 1.00 0.00 C ATOM 638 CG LYS A 43 -1.157 -3.002 -0.648 1.00 0.00 C ATOM 639 CD LYS A 43 -1.453 -4.472 -0.348 1.00 0.00 C ATOM 640 CE LYS A 43 -0.585 -5.393 -1.208 1.00 0.00 C ATOM 641 NZ LYS A 43 -1.430 -6.209 -2.108 1.00 0.00 N ATOM 0 H LYS A 43 -2.151 -1.475 1.531 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.381 -0.402 -0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.236 -2.643 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.790 -2.267 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.559 -2.926 -1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.565 -2.574 0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.271 -4.675 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.506 -4.680 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.115 -4.799 -1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.010 -6.045 -0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.963 -7.120 -2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.353 -6.378 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.569 -5.704 -3.006 1.00 0.00 H new ATOM 655 N LYS A 44 -4.486 0.065 -0.037 1.00 0.00 N ATOM 656 CA LYS A 44 -5.673 0.866 -0.285 1.00 0.00 C ATOM 657 C LYS A 44 -5.265 2.329 -0.469 1.00 0.00 C ATOM 658 O LYS A 44 -5.667 2.972 -1.438 1.00 0.00 O ATOM 659 CB LYS A 44 -6.706 0.650 0.822 1.00 0.00 C ATOM 660 CG LYS A 44 -7.288 -0.764 0.761 1.00 0.00 C ATOM 661 CD LYS A 44 -8.418 -0.936 1.778 1.00 0.00 C ATOM 662 CE LYS A 44 -9.130 -2.277 1.585 1.00 0.00 C ATOM 663 NZ LYS A 44 -10.077 -2.525 2.695 1.00 0.00 N ATOM 0 H LYS A 44 -4.554 -0.561 0.765 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.160 0.551 -1.208 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.242 0.814 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.508 1.382 0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.664 -0.964 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.502 -1.493 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.015 -0.877 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.134 -0.121 1.672 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.665 -2.278 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.396 -3.082 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.552 -3.439 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.558 -2.545 3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.788 -1.766 2.721 1.00 0.00 H new ATOM 677 N GLN A 45 -4.473 2.813 0.476 1.00 0.00 N ATOM 678 CA GLN A 45 -4.007 4.188 0.430 1.00 0.00 C ATOM 679 C GLN A 45 -3.480 4.524 -0.966 1.00 0.00 C ATOM 680 O GLN A 45 -3.669 5.637 -1.454 1.00 0.00 O ATOM 681 CB GLN A 45 -2.937 4.441 1.495 1.00 0.00 C ATOM 682 CG GLN A 45 -3.329 5.610 2.400 1.00 0.00 C ATOM 683 CD GLN A 45 -2.153 6.569 2.598 1.00 0.00 C ATOM 684 OE1 GLN A 45 -2.299 7.780 2.594 1.00 0.00 O ATOM 685 NE2 GLN A 45 -0.983 5.960 2.770 1.00 0.00 N ATOM 0 H GLN A 45 -4.142 2.277 1.278 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.851 4.844 0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.797 3.542 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.983 4.654 1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.171 6.147 1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.660 5.231 3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.932 4.941 2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.137 6.512 2.910 1.00 0.00 H new ATOM 694 N ILE A 46 -2.830 3.541 -1.571 1.00 0.00 N ATOM 695 CA ILE A 46 -2.275 3.718 -2.902 1.00 0.00 C ATOM 696 C ILE A 46 -3.414 3.785 -3.921 1.00 0.00 C ATOM 697 O ILE A 46 -3.428 4.659 -4.785 1.00 0.00 O ATOM 698 CB ILE A 46 -1.245 2.627 -3.202 1.00 0.00 C ATOM 699 CG1 ILE A 46 -0.092 2.669 -2.197 1.00 0.00 C ATOM 700 CG2 ILE A 46 -0.749 2.723 -4.647 1.00 0.00 C ATOM 701 CD1 ILE A 46 0.443 1.264 -1.917 1.00 0.00 C ATOM 0 H ILE A 46 -2.675 2.619 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.734 4.662 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.733 1.658 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.710 3.297 -2.585 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.432 3.124 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.018 1.936 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.591 2.605 -5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.284 3.696 -4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.262 1.323 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.355 0.646 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.805 0.821 -2.845 1.00 0.00 H new ATOM 713 N SER A 47 -4.342 2.849 -3.785 1.00 0.00 N ATOM 714 CA SER A 47 -5.483 2.791 -4.682 1.00 0.00 C ATOM 715 C SER A 47 -6.241 4.119 -4.652 1.00 0.00 C ATOM 716 O SER A 47 -6.955 4.453 -5.597 1.00 0.00 O ATOM 717 CB SER A 47 -6.418 1.638 -4.311 1.00 0.00 C ATOM 718 OG SER A 47 -7.096 1.875 -3.081 1.00 0.00 O ATOM 0 H SER A 47 -4.327 2.125 -3.067 1.00 0.00 H new ATOM 0 HA SER A 47 -5.114 2.613 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.149 1.494 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.843 0.715 -4.236 1.00 0.00 H new ATOM 0 HG SER A 47 -6.637 2.585 -2.586 1.00 0.00 H new ATOM 724 N LYS A 48 -6.061 4.842 -3.556 1.00 0.00 N ATOM 725 CA LYS A 48 -6.719 6.127 -3.390 1.00 0.00 C ATOM 726 C LYS A 48 -6.102 7.140 -4.357 1.00 0.00 C ATOM 727 O LYS A 48 -6.817 7.806 -5.103 1.00 0.00 O ATOM 728 CB LYS A 48 -6.674 6.567 -1.926 1.00 0.00 C ATOM 729 CG LYS A 48 -7.478 5.613 -1.041 1.00 0.00 C ATOM 730 CD LYS A 48 -8.391 6.387 -0.088 1.00 0.00 C ATOM 731 CE LYS A 48 -9.397 5.453 0.588 1.00 0.00 C ATOM 732 NZ LYS A 48 -9.372 5.639 2.056 1.00 0.00 N ATOM 0 H LYS A 48 -5.469 4.562 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.777 6.049 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.639 6.600 -1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.073 7.577 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.077 4.950 -1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.798 4.983 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.790 6.889 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.923 7.163 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.399 5.651 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.162 4.417 0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.060 4.998 2.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.420 5.427 2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.618 6.623 2.285 1.00 0.00 H new ATOM 746 N TYR A 49 -4.780 7.223 -4.311 1.00 0.00 N ATOM 747 CA TYR A 49 -4.059 8.144 -5.173 1.00 0.00 C ATOM 748 C TYR A 49 -3.860 7.547 -6.568 1.00 0.00 C ATOM 749 O TYR A 49 -4.398 8.060 -7.548 1.00 0.00 O ATOM 750 CB TYR A 49 -2.690 8.349 -4.520 1.00 0.00 C ATOM 751 CG TYR A 49 -1.735 9.220 -5.337 1.00 0.00 C ATOM 752 CD1 TYR A 49 -1.990 10.568 -5.489 1.00 0.00 C ATOM 753 CD2 TYR A 49 -0.618 8.659 -5.922 1.00 0.00 C ATOM 754 CE1 TYR A 49 -1.091 11.389 -6.258 1.00 0.00 C ATOM 755 CE2 TYR A 49 0.281 9.480 -6.691 1.00 0.00 C ATOM 756 CZ TYR A 49 0.000 10.804 -6.821 1.00 0.00 C ATOM 757 OH TYR A 49 0.850 11.580 -7.547 1.00 0.00 O ATOM 0 H TYR A 49 -4.190 6.668 -3.691 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.612 9.076 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.831 8.804 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.228 7.376 -4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.864 11.007 -5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.418 7.604 -5.803 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.279 12.445 -6.385 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.159 9.054 -7.154 1.00 0.00 H new ATOM 0 HH TYR A 49 1.585 11.029 -7.888 1.00 0.00 H new ATOM 767 N LEU A 50 -3.087 6.472 -6.613 1.00 0.00 N ATOM 768 CA LEU A 50 -2.811 5.801 -7.871 1.00 0.00 C ATOM 769 C LEU A 50 -4.109 5.671 -8.671 1.00 0.00 C ATOM 770 O LEU A 50 -4.083 5.613 -9.899 1.00 0.00 O ATOM 771 CB LEU A 50 -2.107 4.465 -7.623 1.00 0.00 C ATOM 772 CG LEU A 50 -0.578 4.492 -7.681 1.00 0.00 C ATOM 773 CD1 LEU A 50 0.007 5.146 -6.428 1.00 0.00 C ATOM 774 CD2 LEU A 50 -0.013 3.089 -7.913 1.00 0.00 C ATOM 0 H LEU A 50 -2.643 6.049 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.122 6.392 -8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.407 4.095 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.466 3.745 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.279 5.104 -8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.095 5.152 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.358 6.170 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.299 4.582 -5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.075 3.137 -7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.320 2.434 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.391 2.696 -8.857 1.00 0.00 H new ATOM 786 N HIS A 51 -5.215 5.631 -7.941 1.00 0.00 N ATOM 787 CA HIS A 51 -6.520 5.510 -8.567 1.00 0.00 C ATOM 788 C HIS A 51 -6.629 4.155 -9.269 1.00 0.00 C ATOM 789 O HIS A 51 -7.313 4.031 -10.284 1.00 0.00 O ATOM 790 CB HIS A 51 -6.783 6.688 -9.507 1.00 0.00 C ATOM 791 CG HIS A 51 -6.974 8.008 -8.799 1.00 0.00 C ATOM 792 ND1 HIS A 51 -7.992 8.231 -7.889 1.00 0.00 N ATOM 793 CD2 HIS A 51 -6.265 9.171 -8.876 1.00 0.00 C ATOM 794 CE1 HIS A 51 -7.892 9.475 -7.446 1.00 0.00 C ATOM 795 NE2 HIS A 51 -6.821 10.057 -8.059 1.00 0.00 N ATOM 0 H HIS A 51 -5.233 5.680 -6.922 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.298 5.548 -7.805 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.949 6.778 -10.202 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.671 6.474 -10.101 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.398 9.342 -9.497 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.544 9.946 -6.726 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.501 11.014 -7.914 1.00 0.00 H new ATOM 803 N CYS A 52 -5.945 3.173 -8.701 1.00 0.00 N ATOM 804 CA CYS A 52 -5.956 1.832 -9.260 1.00 0.00 C ATOM 805 C CYS A 52 -6.751 0.926 -8.318 1.00 0.00 C ATOM 806 O CYS A 52 -7.353 1.400 -7.356 1.00 0.00 O ATOM 807 CB CYS A 52 -4.539 1.306 -9.497 1.00 0.00 C ATOM 808 SG CYS A 52 -3.603 2.478 -10.546 1.00 0.00 S ATOM 0 H CYS A 52 -5.379 3.279 -7.859 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.435 1.847 -10.239 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.028 1.171 -8.544 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.581 0.329 -9.978 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.021 3.689 -10.324 1.00 0.00 H new ATOM 814 N ASN A 53 -6.727 -0.362 -8.628 1.00 0.00 N ATOM 815 CA ASN A 53 -7.438 -1.339 -7.821 1.00 0.00 C ATOM 816 C ASN A 53 -6.462 -1.992 -6.841 1.00 0.00 C ATOM 817 O ASN A 53 -5.427 -2.518 -7.248 1.00 0.00 O ATOM 818 CB ASN A 53 -8.040 -2.442 -8.695 1.00 0.00 C ATOM 819 CG ASN A 53 -9.455 -2.075 -9.145 1.00 0.00 C ATOM 820 OD1 ASN A 53 -10.024 -1.075 -8.737 1.00 0.00 O ATOM 821 ND2 ASN A 53 -9.990 -2.936 -10.005 1.00 0.00 N ATOM 0 H ASN A 53 -6.226 -0.752 -9.427 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.238 -0.821 -7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.408 -2.605 -9.568 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.063 -3.379 -8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.932 -2.779 -10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.459 -3.753 -10.306 1.00 0.00 H new ATOM 828 N ALA A 54 -6.826 -1.938 -5.568 1.00 0.00 N ATOM 829 CA ALA A 54 -5.995 -2.518 -4.527 1.00 0.00 C ATOM 830 C ALA A 54 -5.915 -4.033 -4.729 1.00 0.00 C ATOM 831 O ALA A 54 -5.073 -4.699 -4.128 1.00 0.00 O ATOM 832 CB ALA A 54 -6.559 -2.143 -3.155 1.00 0.00 C ATOM 0 H ALA A 54 -7.685 -1.501 -5.234 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.980 -2.123 -4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.936 -2.578 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.568 -1.058 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.576 -2.525 -3.063 1.00 0.00 H new ATOM 838 N ASP A 55 -6.801 -4.533 -5.577 1.00 0.00 N ATOM 839 CA ASP A 55 -6.841 -5.956 -5.866 1.00 0.00 C ATOM 840 C ASP A 55 -5.696 -6.311 -6.817 1.00 0.00 C ATOM 841 O ASP A 55 -5.354 -7.483 -6.972 1.00 0.00 O ATOM 842 CB ASP A 55 -8.156 -6.344 -6.544 1.00 0.00 C ATOM 843 CG ASP A 55 -8.104 -7.633 -7.368 1.00 0.00 C ATOM 844 OD1 ASP A 55 -7.620 -8.642 -6.811 1.00 0.00 O ATOM 845 OD2 ASP A 55 -8.548 -7.579 -8.535 1.00 0.00 O ATOM 0 H ASP A 55 -7.497 -3.977 -6.074 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.750 -6.494 -4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.924 -6.451 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.466 -5.527 -7.195 1.00 0.00 H new ATOM 850 N ARG A 56 -5.135 -5.278 -7.429 1.00 0.00 N ATOM 851 CA ARG A 56 -4.036 -5.467 -8.360 1.00 0.00 C ATOM 852 C ARG A 56 -2.744 -4.888 -7.780 1.00 0.00 C ATOM 853 O ARG A 56 -1.677 -5.020 -8.378 1.00 0.00 O ATOM 854 CB ARG A 56 -4.331 -4.794 -9.703 1.00 0.00 C ATOM 855 CG ARG A 56 -5.692 -5.231 -10.248 1.00 0.00 C ATOM 856 CD ARG A 56 -5.605 -6.614 -10.897 1.00 0.00 C ATOM 857 NE ARG A 56 -5.938 -6.520 -12.335 1.00 0.00 N ATOM 858 CZ ARG A 56 -5.710 -7.496 -13.225 1.00 0.00 C ATOM 859 NH1 ARG A 56 -5.145 -8.645 -12.829 1.00 0.00 N ATOM 860 NH2 ARG A 56 -6.046 -7.323 -14.511 1.00 0.00 N ATOM 0 H ARG A 56 -5.421 -4.308 -7.298 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.918 -6.538 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.314 -3.711 -9.582 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.550 -5.047 -10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.422 -5.250 -9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.045 -4.504 -10.979 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.601 -7.020 -10.774 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.290 -7.301 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.368 -5.658 -12.671 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.889 -8.777 -11.851 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.971 -9.388 -13.506 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.475 -6.448 -14.813 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.872 -8.066 -15.188 1.00 0.00 H new ATOM 874 N LEU A 57 -2.882 -4.259 -6.622 1.00 0.00 N ATOM 875 CA LEU A 57 -1.739 -3.659 -5.955 1.00 0.00 C ATOM 876 C LEU A 57 -0.994 -4.736 -5.163 1.00 0.00 C ATOM 877 O LEU A 57 -1.616 -5.603 -4.551 1.00 0.00 O ATOM 878 CB LEU A 57 -2.180 -2.466 -5.106 1.00 0.00 C ATOM 879 CG LEU A 57 -2.606 -1.215 -5.877 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.270 -0.197 -4.948 1.00 0.00 C ATOM 881 CD2 LEU A 57 -1.424 -0.610 -6.638 1.00 0.00 C ATOM 0 H LEU A 57 -3.768 -4.152 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.038 -3.258 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.012 -2.781 -4.476 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.360 -2.197 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.350 -1.508 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.563 0.682 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.153 -0.643 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.567 0.096 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.754 0.278 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.640 -0.335 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.035 -1.341 -7.347 1.00 0.00 H new ATOM 893 N VAL A 58 0.327 -4.645 -5.200 1.00 0.00 N ATOM 894 CA VAL A 58 1.163 -5.600 -4.494 1.00 0.00 C ATOM 895 C VAL A 58 2.198 -4.845 -3.657 1.00 0.00 C ATOM 896 O VAL A 58 2.860 -3.937 -4.155 1.00 0.00 O ATOM 897 CB VAL A 58 1.795 -6.578 -5.487 1.00 0.00 C ATOM 898 CG1 VAL A 58 2.529 -7.704 -4.756 1.00 0.00 C ATOM 899 CG2 VAL A 58 0.745 -7.140 -6.447 1.00 0.00 C ATOM 0 H VAL A 58 0.839 -3.924 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 58 0.563 -6.198 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 58 2.528 -6.029 -6.078 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.969 -8.385 -5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.317 -7.280 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.825 -8.250 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.221 -7.832 -7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.023 -7.666 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.288 -6.323 -7.005 1.00 0.00 H new ATOM 909 N LEU A 59 2.304 -5.249 -2.400 1.00 0.00 N ATOM 910 CA LEU A 59 3.247 -4.622 -1.489 1.00 0.00 C ATOM 911 C LEU A 59 4.583 -5.364 -1.555 1.00 0.00 C ATOM 912 O LEU A 59 4.632 -6.579 -1.370 1.00 0.00 O ATOM 913 CB LEU A 59 2.657 -4.540 -0.080 1.00 0.00 C ATOM 914 CG LEU A 59 2.676 -3.158 0.576 1.00 0.00 C ATOM 915 CD1 LEU A 59 4.084 -2.796 1.053 1.00 0.00 C ATOM 916 CD2 LEU A 59 2.099 -2.097 -0.364 1.00 0.00 C ATOM 0 H LEU A 59 1.752 -6.003 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 59 3.439 -3.592 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.625 -4.887 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.202 -5.232 0.562 1.00 0.00 H new ATOM 0 HG LEU A 59 2.036 -3.190 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.069 -1.809 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.422 -3.533 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.765 -2.788 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.124 -1.124 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.693 -2.058 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.069 -2.352 -0.612 1.00 0.00 H new ATOM 928 N ILE A 60 5.635 -4.602 -1.818 1.00 0.00 N ATOM 929 CA ILE A 60 6.968 -5.172 -1.910 1.00 0.00 C ATOM 930 C ILE A 60 7.964 -4.244 -1.212 1.00 0.00 C ATOM 931 O ILE A 60 8.293 -3.178 -1.730 1.00 0.00 O ATOM 932 CB ILE A 60 7.323 -5.470 -3.368 1.00 0.00 C ATOM 933 CG1 ILE A 60 6.330 -6.458 -3.984 1.00 0.00 C ATOM 934 CG2 ILE A 60 8.768 -5.958 -3.491 1.00 0.00 C ATOM 935 CD1 ILE A 60 5.328 -5.737 -4.887 1.00 0.00 C ATOM 0 H ILE A 60 5.591 -3.594 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 60 7.009 -6.131 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 60 7.247 -4.542 -3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.869 -7.209 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.798 -6.985 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.995 -6.163 -4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.445 -5.190 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.895 -6.870 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.634 -6.462 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.773 -5.003 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.862 -5.231 -5.691 1.00 0.00 H new ATOM 947 N PHE A 61 8.416 -4.683 -0.047 1.00 0.00 N ATOM 948 CA PHE A 61 9.368 -3.906 0.728 1.00 0.00 C ATOM 949 C PHE A 61 10.755 -4.550 0.699 1.00 0.00 C ATOM 950 O PHE A 61 10.883 -5.765 0.844 1.00 0.00 O ATOM 951 CB PHE A 61 8.859 -3.884 2.171 1.00 0.00 C ATOM 952 CG PHE A 61 9.919 -3.481 3.198 1.00 0.00 C ATOM 953 CD1 PHE A 61 10.216 -2.168 3.390 1.00 0.00 C ATOM 954 CD2 PHE A 61 10.563 -4.437 3.921 1.00 0.00 C ATOM 955 CE1 PHE A 61 11.199 -1.794 4.343 1.00 0.00 C ATOM 956 CE2 PHE A 61 11.547 -4.063 4.874 1.00 0.00 C ATOM 957 CZ PHE A 61 11.844 -2.750 5.066 1.00 0.00 C ATOM 0 H PHE A 61 8.140 -5.568 0.379 1.00 0.00 H new ATOM 0 HA PHE A 61 9.454 -2.902 0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.020 -3.192 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.478 -4.873 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.704 -1.409 2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.326 -5.480 3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.435 -0.751 4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 61 12.060 -4.822 5.447 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.591 -2.466 5.792 1.00 0.00 H new ATOM 967 N THR A 62 11.760 -3.708 0.509 1.00 0.00 N ATOM 968 CA THR A 62 13.134 -4.180 0.459 1.00 0.00 C ATOM 969 C THR A 62 13.270 -5.314 -0.558 1.00 0.00 C ATOM 970 O THR A 62 14.205 -6.111 -0.483 1.00 0.00 O ATOM 971 CB THR A 62 13.548 -4.581 1.876 1.00 0.00 C ATOM 972 OG1 THR A 62 14.957 -4.771 1.785 1.00 0.00 O ATOM 973 CG2 THR A 62 13.011 -5.957 2.276 1.00 0.00 C ATOM 0 H THR A 62 11.651 -2.701 0.388 1.00 0.00 H new ATOM 0 HA THR A 62 13.810 -3.396 0.118 1.00 0.00 H new ATOM 0 HB THR A 62 13.191 -3.833 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.161 -5.346 1.018 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.334 -6.193 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.922 -5.949 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.394 -6.711 1.589 1.00 0.00 H new ATOM 981 N GLY A 63 12.325 -5.352 -1.486 1.00 0.00 N ATOM 982 CA GLY A 63 12.328 -6.376 -2.517 1.00 0.00 C ATOM 983 C GLY A 63 11.604 -7.636 -2.040 1.00 0.00 C ATOM 984 O GLY A 63 11.438 -8.587 -2.803 1.00 0.00 O ATOM 0 H GLY A 63 11.552 -4.690 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.845 -5.993 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.355 -6.622 -2.787 1.00 0.00 H new ATOM 988 N LYS A 64 11.191 -7.602 -0.782 1.00 0.00 N ATOM 989 CA LYS A 64 10.488 -8.730 -0.194 1.00 0.00 C ATOM 990 C LYS A 64 8.986 -8.438 -0.181 1.00 0.00 C ATOM 991 O LYS A 64 8.541 -7.486 0.458 1.00 0.00 O ATOM 992 CB LYS A 64 11.062 -9.061 1.184 1.00 0.00 C ATOM 993 CG LYS A 64 12.414 -9.768 1.060 1.00 0.00 C ATOM 994 CD LYS A 64 12.239 -11.287 1.051 1.00 0.00 C ATOM 995 CE LYS A 64 13.052 -11.926 -0.077 1.00 0.00 C ATOM 996 NZ LYS A 64 12.410 -13.179 -0.534 1.00 0.00 N ATOM 0 H LYS A 64 11.330 -6.811 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 64 10.634 -9.626 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.179 -8.145 1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.364 -9.696 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.912 -9.450 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.058 -9.477 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.554 -11.699 2.010 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.184 -11.534 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.138 -11.229 -0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.064 -12.135 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.975 -13.599 -1.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.350 -13.848 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.453 -12.971 -0.884 1.00 0.00 H new ATOM 1010 N ILE A 65 8.246 -9.275 -0.893 1.00 0.00 N ATOM 1011 CA ILE A 65 6.804 -9.119 -0.971 1.00 0.00 C ATOM 1012 C ILE A 65 6.196 -9.334 0.416 1.00 0.00 C ATOM 1013 O ILE A 65 6.550 -10.285 1.112 1.00 0.00 O ATOM 1014 CB ILE A 65 6.222 -10.039 -2.046 1.00 0.00 C ATOM 1015 CG1 ILE A 65 6.671 -9.603 -3.443 1.00 0.00 C ATOM 1016 CG2 ILE A 65 4.699 -10.120 -1.933 1.00 0.00 C ATOM 1017 CD1 ILE A 65 7.404 -10.737 -4.162 1.00 0.00 C ATOM 0 H ILE A 65 8.619 -10.064 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 65 6.548 -8.105 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 65 6.611 -11.044 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.804 -9.297 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.325 -8.735 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.311 -10.780 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.427 -10.513 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.272 -9.125 -2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.712 -10.401 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.284 -11.024 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.739 -11.595 -4.261 1.00 0.00 H new ATOM 1029 N LEU A 66 5.292 -8.435 0.777 1.00 0.00 N ATOM 1030 CA LEU A 66 4.632 -8.515 2.069 1.00 0.00 C ATOM 1031 C LEU A 66 3.301 -9.253 1.913 1.00 0.00 C ATOM 1032 O LEU A 66 3.053 -9.881 0.885 1.00 0.00 O ATOM 1033 CB LEU A 66 4.494 -7.122 2.687 1.00 0.00 C ATOM 1034 CG LEU A 66 5.777 -6.293 2.768 1.00 0.00 C ATOM 1035 CD1 LEU A 66 5.527 -4.962 3.478 1.00 0.00 C ATOM 1036 CD2 LEU A 66 6.904 -7.092 3.428 1.00 0.00 C ATOM 0 H LEU A 66 5.001 -7.648 0.197 1.00 0.00 H new ATOM 0 HA LEU A 66 5.236 -9.091 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.759 -6.561 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.092 -7.232 3.694 1.00 0.00 H new ATOM 0 HG LEU A 66 6.098 -6.060 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.456 -4.393 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.777 -4.392 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.169 -5.151 4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.805 -6.480 3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.606 -7.375 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.104 -7.990 2.843 1.00 0.00 H new ATOM 1048 N ARG A 67 2.480 -9.153 2.948 1.00 0.00 N ATOM 1049 CA ARG A 67 1.181 -9.804 2.938 1.00 0.00 C ATOM 1050 C ARG A 67 0.141 -8.923 3.635 1.00 0.00 C ATOM 1051 O ARG A 67 0.437 -8.289 4.646 1.00 0.00 O ATOM 1052 CB ARG A 67 1.240 -11.163 3.639 1.00 0.00 C ATOM 1053 CG ARG A 67 1.996 -12.185 2.788 1.00 0.00 C ATOM 1054 CD ARG A 67 1.144 -12.653 1.606 1.00 0.00 C ATOM 1055 NE ARG A 67 2.012 -12.970 0.450 1.00 0.00 N ATOM 1056 CZ ARG A 67 1.574 -13.072 -0.812 1.00 0.00 C ATOM 1057 NH1 ARG A 67 0.276 -12.884 -1.088 1.00 0.00 N ATOM 1058 NH2 ARG A 67 2.434 -13.364 -1.798 1.00 0.00 N ATOM 0 H ARG A 67 2.689 -8.631 3.799 1.00 0.00 H new ATOM 0 HA ARG A 67 0.895 -9.957 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.730 -11.056 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.229 -11.521 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.922 -11.743 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.273 -13.041 3.403 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.566 -13.533 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.429 -11.877 1.332 1.00 0.00 H new ATOM 0 HE ARG A 67 3.006 -13.120 0.625 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.378 -12.663 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.058 -12.962 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.421 -13.508 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.101 -13.442 -2.759 1.00 0.00 H new ATOM 1072 N ASP A 68 -1.055 -8.913 3.066 1.00 0.00 N ATOM 1073 CA ASP A 68 -2.140 -8.121 3.619 1.00 0.00 C ATOM 1074 C ASP A 68 -2.310 -8.462 5.101 1.00 0.00 C ATOM 1075 O ASP A 68 -2.608 -7.586 5.913 1.00 0.00 O ATOM 1076 CB ASP A 68 -3.461 -8.425 2.910 1.00 0.00 C ATOM 1077 CG ASP A 68 -3.838 -9.906 2.851 1.00 0.00 C ATOM 1078 OD1 ASP A 68 -3.284 -10.598 1.969 1.00 0.00 O ATOM 1079 OD2 ASP A 68 -4.671 -10.314 3.689 1.00 0.00 O ATOM 0 H ASP A 68 -1.297 -9.441 2.227 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.892 -7.068 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.260 -7.882 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.407 -8.039 1.892 1.00 0.00 H new ATOM 1084 N GLN A 69 -2.113 -9.735 5.409 1.00 0.00 N ATOM 1085 CA GLN A 69 -2.240 -10.202 6.779 1.00 0.00 C ATOM 1086 C GLN A 69 -0.964 -9.896 7.565 1.00 0.00 C ATOM 1087 O GLN A 69 -0.841 -10.276 8.729 1.00 0.00 O ATOM 1088 CB GLN A 69 -2.565 -11.696 6.821 1.00 0.00 C ATOM 1089 CG GLN A 69 -1.475 -12.514 6.126 1.00 0.00 C ATOM 1090 CD GLN A 69 -1.565 -13.991 6.516 1.00 0.00 C ATOM 1091 OE1 GLN A 69 -1.358 -14.372 7.656 1.00 0.00 O ATOM 1092 NE2 GLN A 69 -1.884 -14.798 5.508 1.00 0.00 N ATOM 0 H GLN A 69 -1.866 -10.458 4.733 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.068 -9.670 7.248 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.664 -12.021 7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.525 -11.877 6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.573 -12.413 5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.494 -12.122 6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.044 -14.413 4.577 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.968 -15.802 5.666 1.00 0.00 H new ATOM 1101 N ASP A 70 -0.045 -9.213 6.898 1.00 0.00 N ATOM 1102 CA ASP A 70 1.218 -8.852 7.519 1.00 0.00 C ATOM 1103 C ASP A 70 1.293 -7.331 7.664 1.00 0.00 C ATOM 1104 O ASP A 70 0.960 -6.598 6.734 1.00 0.00 O ATOM 1105 CB ASP A 70 2.402 -9.305 6.663 1.00 0.00 C ATOM 1106 CG ASP A 70 2.736 -10.795 6.758 1.00 0.00 C ATOM 1107 OD1 ASP A 70 2.005 -11.495 7.491 1.00 0.00 O ATOM 1108 OD2 ASP A 70 3.715 -11.201 6.094 1.00 0.00 O ATOM 0 H ASP A 70 -0.150 -8.900 5.933 1.00 0.00 H new ATOM 0 HA ASP A 70 1.268 -9.342 8.491 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.193 -9.061 5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.282 -8.731 6.954 1.00 0.00 H new ATOM 1113 N ILE A 71 1.734 -6.902 8.838 1.00 0.00 N ATOM 1114 CA ILE A 71 1.858 -5.481 9.116 1.00 0.00 C ATOM 1115 C ILE A 71 3.155 -4.956 8.499 1.00 0.00 C ATOM 1116 O ILE A 71 4.037 -5.736 8.143 1.00 0.00 O ATOM 1117 CB ILE A 71 1.740 -5.218 10.619 1.00 0.00 C ATOM 1118 CG1 ILE A 71 0.281 -5.287 11.075 1.00 0.00 C ATOM 1119 CG2 ILE A 71 2.396 -3.887 10.995 1.00 0.00 C ATOM 1120 CD1 ILE A 71 -0.336 -6.645 10.733 1.00 0.00 C ATOM 0 H ILE A 71 2.010 -7.513 9.607 1.00 0.00 H new ATOM 0 HA ILE A 71 1.040 -4.929 8.654 1.00 0.00 H new ATOM 0 HB ILE A 71 2.280 -6.004 11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.224 -5.118 12.150 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.291 -4.492 10.596 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.298 -3.724 12.068 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.452 -3.913 10.726 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.905 -3.075 10.458 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.373 -6.668 11.068 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.299 -6.800 9.655 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.224 -7.435 11.233 1.00 0.00 H new ATOM 1132 N LEU A 72 3.231 -3.638 8.393 1.00 0.00 N ATOM 1133 CA LEU A 72 4.407 -2.999 7.825 1.00 0.00 C ATOM 1134 C LEU A 72 5.577 -3.136 8.801 1.00 0.00 C ATOM 1135 O LEU A 72 6.536 -3.857 8.528 1.00 0.00 O ATOM 1136 CB LEU A 72 4.096 -1.552 7.437 1.00 0.00 C ATOM 1137 CG LEU A 72 2.679 -1.284 6.927 1.00 0.00 C ATOM 1138 CD1 LEU A 72 2.539 0.155 6.427 1.00 0.00 C ATOM 1139 CD2 LEU A 72 2.279 -2.304 5.859 1.00 0.00 C ATOM 0 H LEU A 72 2.498 -2.994 8.691 1.00 0.00 H new ATOM 0 HA LEU A 72 4.702 -3.496 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.274 -0.918 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.803 -1.244 6.666 1.00 0.00 H new ATOM 0 HG LEU A 72 1.987 -1.403 7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.522 0.319 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.753 0.846 7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.242 0.327 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.267 -2.091 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.970 -2.241 5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.314 -3.307 6.283 1.00 0.00 H new ATOM 1151 N SER A 73 5.461 -2.433 9.918 1.00 0.00 N ATOM 1152 CA SER A 73 6.498 -2.467 10.935 1.00 0.00 C ATOM 1153 C SER A 73 6.885 -3.915 11.239 1.00 0.00 C ATOM 1154 O SER A 73 8.047 -4.293 11.099 1.00 0.00 O ATOM 1155 CB SER A 73 6.039 -1.761 12.213 1.00 0.00 C ATOM 1156 OG SER A 73 7.017 -1.840 13.246 1.00 0.00 O ATOM 0 H SER A 73 4.664 -1.836 10.141 1.00 0.00 H new ATOM 0 HA SER A 73 7.370 -1.937 10.552 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.827 -0.715 11.993 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.108 -2.209 12.560 1.00 0.00 H new ATOM 0 HG SER A 73 6.688 -1.377 14.044 1.00 0.00 H new ATOM 1162 N GLN A 74 5.889 -4.687 11.649 1.00 0.00 N ATOM 1163 CA GLN A 74 6.112 -6.086 11.974 1.00 0.00 C ATOM 1164 C GLN A 74 7.013 -6.738 10.924 1.00 0.00 C ATOM 1165 O GLN A 74 7.845 -7.582 11.253 1.00 0.00 O ATOM 1166 CB GLN A 74 4.785 -6.837 12.100 1.00 0.00 C ATOM 1167 CG GLN A 74 4.029 -6.407 13.359 1.00 0.00 C ATOM 1168 CD GLN A 74 2.700 -7.157 13.484 1.00 0.00 C ATOM 1169 OE1 GLN A 74 2.638 -8.374 13.432 1.00 0.00 O ATOM 1170 NE2 GLN A 74 1.646 -6.364 13.650 1.00 0.00 N ATOM 0 H GLN A 74 4.926 -4.371 11.764 1.00 0.00 H new ATOM 0 HA GLN A 74 6.615 -6.139 12.939 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.171 -6.647 11.220 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.972 -7.910 12.133 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.643 -6.598 14.239 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.843 -5.333 13.327 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.770 -5.352 13.685 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.714 -6.767 13.743 1.00 0.00 H new ATOM 1179 N ARG A 75 6.817 -6.322 9.681 1.00 0.00 N ATOM 1180 CA ARG A 75 7.602 -6.855 8.581 1.00 0.00 C ATOM 1181 C ARG A 75 8.989 -6.208 8.556 1.00 0.00 C ATOM 1182 O ARG A 75 9.985 -6.877 8.286 1.00 0.00 O ATOM 1183 CB ARG A 75 6.908 -6.609 7.240 1.00 0.00 C ATOM 1184 CG ARG A 75 5.874 -7.699 6.950 1.00 0.00 C ATOM 1185 CD ARG A 75 6.533 -9.079 6.897 1.00 0.00 C ATOM 1186 NE ARG A 75 6.111 -9.795 5.672 1.00 0.00 N ATOM 1187 CZ ARG A 75 6.580 -10.994 5.303 1.00 0.00 C ATOM 1188 NH1 ARG A 75 7.489 -11.621 6.063 1.00 0.00 N ATOM 1189 NH2 ARG A 75 6.140 -11.568 4.175 1.00 0.00 N ATOM 0 H ARG A 75 6.126 -5.622 9.412 1.00 0.00 H new ATOM 0 HA ARG A 75 7.701 -7.930 8.734 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.420 -5.634 7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.650 -6.585 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.104 -7.689 7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.378 -7.492 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.618 -8.974 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.257 -9.657 7.779 1.00 0.00 H new ATOM 0 HE ARG A 75 5.419 -9.347 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.823 -11.185 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.846 -12.534 5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.448 -11.092 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.498 -12.481 3.894 1.00 0.00 H new ATOM 1203 N GLY A 76 9.008 -4.914 8.841 1.00 0.00 N ATOM 1204 CA GLY A 76 10.256 -4.169 8.854 1.00 0.00 C ATOM 1205 C GLY A 76 10.027 -2.708 8.464 1.00 0.00 C ATOM 1206 O GLY A 76 10.716 -1.815 8.955 1.00 0.00 O ATOM 0 H GLY A 76 8.180 -4.363 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.703 -4.218 9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.964 -4.627 8.163 1.00 0.00 H new ATOM 1210 N ILE A 77 9.056 -2.509 7.584 1.00 0.00 N ATOM 1211 CA ILE A 77 8.727 -1.172 7.122 1.00 0.00 C ATOM 1212 C ILE A 77 8.721 -0.212 8.314 1.00 0.00 C ATOM 1213 O ILE A 77 7.824 -0.267 9.155 1.00 0.00 O ATOM 1214 CB ILE A 77 7.415 -1.184 6.336 1.00 0.00 C ATOM 1215 CG1 ILE A 77 7.612 -1.800 4.949 1.00 0.00 C ATOM 1216 CG2 ILE A 77 6.808 0.219 6.258 1.00 0.00 C ATOM 1217 CD1 ILE A 77 6.284 -2.301 4.377 1.00 0.00 C ATOM 0 H ILE A 77 8.487 -3.252 7.179 1.00 0.00 H new ATOM 0 HA ILE A 77 9.485 -0.813 6.426 1.00 0.00 H new ATOM 0 HB ILE A 77 6.704 -1.813 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.045 -1.059 4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.320 -2.627 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.876 0.181 5.694 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.608 0.585 7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.507 0.891 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.453 -2.734 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.865 -3.059 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.587 -1.468 4.293 1.00 0.00 H new ATOM 1229 N LEU A 78 9.731 0.645 8.348 1.00 0.00 N ATOM 1230 CA LEU A 78 9.853 1.615 9.423 1.00 0.00 C ATOM 1231 C LEU A 78 9.627 3.021 8.863 1.00 0.00 C ATOM 1232 O LEU A 78 9.163 3.176 7.735 1.00 0.00 O ATOM 1233 CB LEU A 78 11.191 1.448 10.146 1.00 0.00 C ATOM 1234 CG LEU A 78 11.115 1.253 11.661 1.00 0.00 C ATOM 1235 CD1 LEU A 78 10.301 0.006 12.013 1.00 0.00 C ATOM 1236 CD2 LEU A 78 12.514 1.218 12.280 1.00 0.00 C ATOM 0 H LEU A 78 10.472 0.688 7.649 1.00 0.00 H new ATOM 0 HA LEU A 78 9.086 1.445 10.179 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.710 0.592 9.715 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.803 2.327 9.943 1.00 0.00 H new ATOM 0 HG LEU A 78 10.594 2.109 12.090 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.262 -0.110 13.096 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.289 0.110 11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.771 -0.872 11.571 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.432 1.078 13.358 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.082 0.393 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.027 2.158 12.074 1.00 0.00 H new ATOM 1248 N ASP A 79 9.966 4.009 9.678 1.00 0.00 N ATOM 1249 CA ASP A 79 9.807 5.397 9.278 1.00 0.00 C ATOM 1250 C ASP A 79 10.933 5.779 8.316 1.00 0.00 C ATOM 1251 O ASP A 79 12.108 5.573 8.617 1.00 0.00 O ATOM 1252 CB ASP A 79 9.881 6.330 10.488 1.00 0.00 C ATOM 1253 CG ASP A 79 10.218 7.786 10.161 1.00 0.00 C ATOM 1254 OD1 ASP A 79 11.430 8.082 10.075 1.00 0.00 O ATOM 1255 OD2 ASP A 79 9.258 8.570 10.006 1.00 0.00 O ATOM 0 H ASP A 79 10.350 3.876 10.613 1.00 0.00 H new ATOM 0 HA ASP A 79 8.832 5.501 8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.924 6.302 11.008 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.631 5.945 11.179 1.00 0.00 H new ATOM 1260 N GLY A 80 10.536 6.329 7.179 1.00 0.00 N ATOM 1261 CA GLY A 80 11.497 6.742 6.171 1.00 0.00 C ATOM 1262 C GLY A 80 12.052 5.533 5.415 1.00 0.00 C ATOM 1263 O GLY A 80 13.260 5.430 5.204 1.00 0.00 O ATOM 0 H GLY A 80 9.561 6.499 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.022 7.427 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.314 7.286 6.644 1.00 0.00 H new ATOM 1267 N SER A 81 11.144 4.649 5.028 1.00 0.00 N ATOM 1268 CA SER A 81 11.528 3.452 4.300 1.00 0.00 C ATOM 1269 C SER A 81 11.083 3.561 2.841 1.00 0.00 C ATOM 1270 O SER A 81 10.338 4.471 2.482 1.00 0.00 O ATOM 1271 CB SER A 81 10.930 2.200 4.945 1.00 0.00 C ATOM 1272 OG SER A 81 11.115 2.187 6.358 1.00 0.00 O ATOM 0 H SER A 81 10.143 4.738 5.205 1.00 0.00 H new ATOM 0 HA SER A 81 12.614 3.364 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.865 2.149 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.391 1.313 4.511 1.00 0.00 H new ATOM 0 HG SER A 81 10.562 2.885 6.767 1.00 0.00 H new ATOM 1278 N THR A 82 11.559 2.620 2.038 1.00 0.00 N ATOM 1279 CA THR A 82 11.219 2.599 0.626 1.00 0.00 C ATOM 1280 C THR A 82 10.455 1.319 0.280 1.00 0.00 C ATOM 1281 O THR A 82 10.861 0.225 0.669 1.00 0.00 O ATOM 1282 CB THR A 82 12.512 2.771 -0.174 1.00 0.00 C ATOM 1283 OG1 THR A 82 12.738 4.178 -0.171 1.00 0.00 O ATOM 1284 CG2 THR A 82 12.335 2.425 -1.654 1.00 0.00 C ATOM 0 H THR A 82 12.177 1.867 2.339 1.00 0.00 H new ATOM 0 HA THR A 82 10.549 3.419 0.368 1.00 0.00 H new ATOM 0 HB THR A 82 13.291 2.141 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.559 4.379 -0.667 1.00 0.00 H new ATOM 0 HG21 THR A 82 13.282 2.564 -2.176 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.017 1.387 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.580 3.077 -2.092 1.00 0.00 H new ATOM 1292 N VAL A 83 9.363 1.498 -0.449 1.00 0.00 N ATOM 1293 CA VAL A 83 8.539 0.371 -0.852 1.00 0.00 C ATOM 1294 C VAL A 83 8.174 0.515 -2.331 1.00 0.00 C ATOM 1295 O VAL A 83 7.846 1.608 -2.789 1.00 0.00 O ATOM 1296 CB VAL A 83 7.314 0.266 0.059 1.00 0.00 C ATOM 1297 CG1 VAL A 83 6.490 -0.980 -0.272 1.00 0.00 C ATOM 1298 CG2 VAL A 83 7.725 0.277 1.533 1.00 0.00 C ATOM 0 H VAL A 83 9.030 2.407 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 83 9.090 -0.563 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 83 6.687 1.139 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.625 -1.031 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.152 -0.928 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.105 -1.870 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.836 0.201 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.383 -0.568 1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.249 1.206 1.758 1.00 0.00 H new ATOM 1308 N HIS A 84 8.244 -0.605 -3.036 1.00 0.00 N ATOM 1309 CA HIS A 84 7.925 -0.617 -4.453 1.00 0.00 C ATOM 1310 C HIS A 84 6.436 -0.918 -4.642 1.00 0.00 C ATOM 1311 O HIS A 84 5.912 -1.865 -4.057 1.00 0.00 O ATOM 1312 CB HIS A 84 8.828 -1.597 -5.205 1.00 0.00 C ATOM 1313 CG HIS A 84 10.219 -1.072 -5.469 1.00 0.00 C ATOM 1314 ND1 HIS A 84 10.526 -0.279 -6.561 1.00 0.00 N ATOM 1315 CD2 HIS A 84 11.379 -1.233 -4.771 1.00 0.00 C ATOM 1316 CE1 HIS A 84 11.816 0.017 -6.513 1.00 0.00 C ATOM 1317 NE2 HIS A 84 12.344 -0.576 -5.403 1.00 0.00 N ATOM 0 H HIS A 84 8.517 -1.510 -2.652 1.00 0.00 H new ATOM 0 HA HIS A 84 8.118 0.367 -4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.902 -2.520 -4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.360 -1.850 -6.156 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.493 -1.799 -3.858 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.355 0.622 -7.227 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.319 -0.523 -5.108 1.00 0.00 H new ATOM 1325 N VAL A 85 5.798 -0.095 -5.460 1.00 0.00 N ATOM 1326 CA VAL A 85 4.380 -0.261 -5.732 1.00 0.00 C ATOM 1327 C VAL A 85 4.203 -0.945 -7.090 1.00 0.00 C ATOM 1328 O VAL A 85 5.056 -0.821 -7.967 1.00 0.00 O ATOM 1329 CB VAL A 85 3.669 1.091 -5.647 1.00 0.00 C ATOM 1330 CG1 VAL A 85 4.024 1.974 -6.844 1.00 0.00 C ATOM 1331 CG2 VAL A 85 2.154 0.907 -5.531 1.00 0.00 C ATOM 0 H VAL A 85 6.236 0.689 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 85 3.919 -0.903 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 85 4.016 1.595 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.505 2.929 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.100 2.146 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.720 1.477 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.672 1.883 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.784 0.372 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.925 0.335 -4.632 1.00 0.00 H new ATOM 1341 N VAL A 86 3.090 -1.652 -7.220 1.00 0.00 N ATOM 1342 CA VAL A 86 2.790 -2.355 -8.455 1.00 0.00 C ATOM 1343 C VAL A 86 1.287 -2.281 -8.727 1.00 0.00 C ATOM 1344 O VAL A 86 0.489 -2.174 -7.797 1.00 0.00 O ATOM 1345 CB VAL A 86 3.315 -3.791 -8.381 1.00 0.00 C ATOM 1346 CG1 VAL A 86 2.587 -4.693 -9.379 1.00 0.00 C ATOM 1347 CG2 VAL A 86 4.828 -3.834 -8.604 1.00 0.00 C ATOM 0 H VAL A 86 2.385 -1.753 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 86 3.296 -1.881 -9.296 1.00 0.00 H new ATOM 0 HB VAL A 86 3.114 -4.170 -7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.979 -5.707 -9.306 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.521 -4.699 -9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.742 -4.316 -10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.175 -4.866 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.063 -3.427 -9.587 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.326 -3.240 -7.837 1.00 0.00 H new ATOM 1357 N VAL A 87 0.945 -2.342 -10.006 1.00 0.00 N ATOM 1358 CA VAL A 87 -0.449 -2.283 -10.412 1.00 0.00 C ATOM 1359 C VAL A 87 -0.705 -3.336 -11.493 1.00 0.00 C ATOM 1360 O VAL A 87 -0.959 -2.995 -12.647 1.00 0.00 O ATOM 1361 CB VAL A 87 -0.803 -0.865 -10.862 1.00 0.00 C ATOM 1362 CG1 VAL A 87 0.139 -0.389 -11.970 1.00 0.00 C ATOM 1363 CG2 VAL A 87 -2.263 -0.781 -11.312 1.00 0.00 C ATOM 0 H VAL A 87 1.610 -2.432 -10.775 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.103 -2.515 -9.571 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.676 -0.202 -10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.135 0.622 -12.271 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.165 -0.392 -11.602 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.059 -1.057 -12.827 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.489 0.238 -11.627 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.426 -1.463 -12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.915 -1.058 -10.484 1.00 0.00 H new ATOM 1373 N ARG A 88 -0.631 -4.592 -11.079 1.00 0.00 N ATOM 1374 CA ARG A 88 -0.852 -5.696 -11.998 1.00 0.00 C ATOM 1375 C ARG A 88 -1.983 -5.358 -12.972 1.00 0.00 C ATOM 1376 O ARG A 88 -3.050 -4.910 -12.557 1.00 0.00 O ATOM 1377 CB ARG A 88 -1.206 -6.979 -11.242 1.00 0.00 C ATOM 1378 CG ARG A 88 0.057 -7.708 -10.780 1.00 0.00 C ATOM 1379 CD ARG A 88 -0.273 -8.750 -9.708 1.00 0.00 C ATOM 1380 NE ARG A 88 -0.234 -10.108 -10.294 1.00 0.00 N ATOM 1381 CZ ARG A 88 -0.347 -11.237 -9.581 1.00 0.00 C ATOM 1382 NH1 ARG A 88 -0.506 -11.177 -8.252 1.00 0.00 N ATOM 1383 NH2 ARG A 88 -0.301 -12.426 -10.198 1.00 0.00 N ATOM 0 H ARG A 88 -0.421 -4.870 -10.120 1.00 0.00 H new ATOM 0 HA ARG A 88 0.073 -5.857 -12.552 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.827 -6.738 -10.379 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.794 -7.634 -11.885 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.532 -8.195 -11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.773 -6.988 -10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.441 -8.678 -8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.260 -8.554 -9.290 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.114 -10.190 -11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.541 -10.272 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.592 -12.036 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.180 -12.471 -11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.387 -13.286 -9.656 1.00 0.00 H new