USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 615 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 56 GLN : amide:sc= 0.902 K(o=3.5,f=-4.4) USER MOD Set 1.2: A 58 TYR OH : rot -133:sc= 1.3 USER MOD Set 1.3: A 87 LYS NZ :NH3+ 130:sc= 1.26 (180deg=-0.0296) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 1.16 USER MOD Set 2.2: A 39 SER OG : rot 125:sc= 1.18 USER MOD Single : A 15 LYS NZ :NH3+ 150:sc= 1.25 (180deg=-0.527) USER MOD Single : A 17 HIS : no HE2:sc= 1.03 K(o=1,f=-4.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0.795 (180deg=0.332) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.45 X(o=-0.45,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -63:sc= 1.13 USER MOD Single : A 38 SER OG : rot -92:sc= 0.446 USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.05) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 1.09 (180deg=-0.692) USER MOD Single : A 45 HIS : no HE2:sc= 0.361 K(o=0.36,f=-1.8!) USER MOD Single : A 49 ASN : amide:sc= 0.469 X(o=0.47,f=0) USER MOD Single : A 50 THR OG1 : rot -150:sc= 0.0199 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 159:sc= -0.224 (180deg=-1.26) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 47:sc= 1.26 USER MOD Single : A 70 ASN : amide:sc= -0.579 K(o=-0.58,f=-4.3!) USER MOD Single : A 72 ASN : amide:sc= -0.49 K(o=-0.49,f=-3.7!) USER MOD Single : A 74 TYR OH : rot -15:sc= -1.96! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 80 SER OG : rot -114:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 224 N LYS A 15 -13.728 2.450 -2.684 1.00 0.00 N ATOM 225 CA LYS A 15 -12.328 2.081 -2.680 1.00 0.00 C ATOM 226 C LYS A 15 -11.504 3.304 -3.035 1.00 0.00 C ATOM 227 O LYS A 15 -11.849 4.041 -3.962 1.00 0.00 O ATOM 228 CB LYS A 15 -12.027 0.959 -3.686 1.00 0.00 C ATOM 229 CG LYS A 15 -12.679 -0.391 -3.389 1.00 0.00 C ATOM 230 CD LYS A 15 -14.196 -0.368 -3.528 1.00 0.00 C ATOM 231 CE LYS A 15 -14.651 0.164 -4.882 1.00 0.00 C ATOM 232 NZ LYS A 15 -14.108 -0.623 -6.022 1.00 0.00 N ATOM 0 HA LYS A 15 -12.074 1.712 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.348 1.287 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.947 0.818 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.270 -1.141 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.418 -0.698 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.586 -1.376 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.621 0.250 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.740 0.153 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.339 1.204 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.778 -0.591 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.197 -0.219 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.968 -1.610 -5.727 1.00 0.00 H new ATOM 246 N ILE A 16 -10.429 3.528 -2.310 1.00 0.00 N ATOM 247 CA ILE A 16 -9.579 4.669 -2.578 1.00 0.00 C ATOM 248 C ILE A 16 -8.528 4.309 -3.611 1.00 0.00 C ATOM 249 O ILE A 16 -8.028 3.184 -3.647 1.00 0.00 O ATOM 250 CB ILE A 16 -8.891 5.215 -1.307 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.117 4.110 -0.584 1.00 0.00 C ATOM 252 CG2 ILE A 16 -9.917 5.850 -0.385 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.317 4.609 0.598 1.00 0.00 C ATOM 0 H ILE A 16 -10.124 2.939 -1.535 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.226 5.458 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.175 5.980 -1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.819 3.349 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.443 3.627 -1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.419 6.231 0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.412 6.672 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.658 5.104 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.794 3.773 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.591 5.348 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.988 5.066 1.325 1.00 0.00 H new ATOM 265 N HIS A 17 -8.215 5.263 -4.463 1.00 0.00 N ATOM 266 CA HIS A 17 -7.242 5.046 -5.516 1.00 0.00 C ATOM 267 C HIS A 17 -5.855 5.432 -5.041 1.00 0.00 C ATOM 268 O HIS A 17 -5.527 6.616 -4.951 1.00 0.00 O ATOM 269 CB HIS A 17 -7.619 5.839 -6.765 1.00 0.00 C ATOM 270 CG HIS A 17 -8.872 5.346 -7.411 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.076 6.001 -7.318 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.097 4.256 -8.178 1.00 0.00 C ATOM 273 CE1 HIS A 17 -10.988 5.340 -7.999 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.421 4.276 -8.533 1.00 0.00 N ATOM 0 H HIS A 17 -8.621 6.199 -4.448 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.238 3.986 -5.770 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.742 6.889 -6.499 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.801 5.786 -7.483 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -10.238 6.865 -6.801 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.370 3.509 -8.459 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.025 5.622 -8.103 1.00 0.00 H new ATOM 283 N VAL A 18 -5.060 4.431 -4.712 1.00 0.00 N ATOM 284 CA VAL A 18 -3.695 4.662 -4.270 1.00 0.00 C ATOM 285 C VAL A 18 -2.745 4.627 -5.457 1.00 0.00 C ATOM 286 O VAL A 18 -2.913 3.824 -6.376 1.00 0.00 O ATOM 287 CB VAL A 18 -3.248 3.613 -3.231 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.138 3.666 -1.999 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.244 2.219 -3.838 1.00 0.00 C ATOM 0 H VAL A 18 -5.335 3.449 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.667 5.645 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.229 3.849 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.806 2.919 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.077 4.657 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.169 3.461 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.926 1.496 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.248 1.968 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.556 2.192 -4.683 1.00 0.00 H new ATOM 299 N THR A 19 -1.761 5.502 -5.449 1.00 0.00 N ATOM 300 CA THR A 19 -0.771 5.516 -6.503 1.00 0.00 C ATOM 301 C THR A 19 0.499 4.841 -6.016 1.00 0.00 C ATOM 302 O THR A 19 1.207 5.370 -5.162 1.00 0.00 O ATOM 303 CB THR A 19 -0.463 6.952 -6.954 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.686 7.622 -7.286 1.00 0.00 O ATOM 305 CG2 THR A 19 0.468 6.960 -8.161 1.00 0.00 C ATOM 0 H THR A 19 -1.626 6.210 -4.727 1.00 0.00 H new ATOM 0 HA THR A 19 -1.170 4.972 -7.359 1.00 0.00 H new ATOM 0 HB THR A 19 0.034 7.471 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.490 8.539 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.669 7.989 -8.459 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.405 6.468 -7.901 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.004 6.429 -8.988 1.00 0.00 H new ATOM 313 N VAL A 20 0.774 3.671 -6.558 1.00 0.00 N ATOM 314 CA VAL A 20 1.888 2.863 -6.104 1.00 0.00 C ATOM 315 C VAL A 20 3.148 3.189 -6.896 1.00 0.00 C ATOM 316 O VAL A 20 3.200 2.989 -8.112 1.00 0.00 O ATOM 317 CB VAL A 20 1.566 1.360 -6.232 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.701 0.517 -5.677 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.260 1.030 -5.524 1.00 0.00 C ATOM 0 H VAL A 20 0.236 3.256 -7.319 1.00 0.00 H new ATOM 0 HA VAL A 20 2.061 3.096 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 20 1.453 1.125 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.452 -0.539 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.616 0.729 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.850 0.756 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.050 -0.035 -5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.345 1.284 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.551 1.604 -5.971 1.00 0.00 H new ATOM 329 N LYS A 21 4.153 3.709 -6.202 1.00 0.00 N ATOM 330 CA LYS A 21 5.421 4.050 -6.829 1.00 0.00 C ATOM 331 C LYS A 21 6.423 2.914 -6.690 1.00 0.00 C ATOM 332 O LYS A 21 6.899 2.620 -5.591 1.00 0.00 O ATOM 333 CB LYS A 21 6.017 5.324 -6.225 1.00 0.00 C ATOM 334 CG LYS A 21 5.413 6.618 -6.746 1.00 0.00 C ATOM 335 CD LYS A 21 4.022 6.872 -6.201 1.00 0.00 C ATOM 336 CE LYS A 21 3.482 8.201 -6.697 1.00 0.00 C ATOM 337 NZ LYS A 21 4.422 9.325 -6.421 1.00 0.00 N ATOM 0 H LYS A 21 4.113 3.904 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 21 5.217 4.222 -7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.891 5.290 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.089 5.335 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.062 7.452 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.372 6.583 -7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.354 6.066 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.047 6.869 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.296 8.139 -7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.524 8.404 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.938 10.231 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.739 9.277 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.245 9.252 -7.052 1.00 0.00 H new ATOM 351 N PHE A 22 6.721 2.270 -7.804 1.00 0.00 N ATOM 352 CA PHE A 22 7.770 1.267 -7.862 1.00 0.00 C ATOM 353 C PHE A 22 8.918 1.778 -8.719 1.00 0.00 C ATOM 354 O PHE A 22 8.703 2.540 -9.660 1.00 0.00 O ATOM 355 CB PHE A 22 7.249 -0.045 -8.460 1.00 0.00 C ATOM 356 CG PHE A 22 6.810 -1.059 -7.448 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.553 -0.995 -6.883 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.658 -2.089 -7.075 1.00 0.00 C ATOM 359 CE1 PHE A 22 5.146 -1.936 -5.961 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.258 -3.033 -6.152 1.00 0.00 C ATOM 361 CZ PHE A 22 5.999 -2.957 -5.594 1.00 0.00 C ATOM 0 H PHE A 22 6.244 2.427 -8.692 1.00 0.00 H new ATOM 0 HA PHE A 22 8.112 1.077 -6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.410 0.179 -9.119 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.032 -0.483 -9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.880 -0.199 -7.166 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.644 -2.154 -7.512 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.159 -1.874 -5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.929 -3.830 -5.867 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.681 -3.695 -4.872 1.00 0.00 H new ATOM 371 N PRO A 23 10.153 1.371 -8.411 1.00 0.00 N ATOM 372 CA PRO A 23 11.306 1.672 -9.260 1.00 0.00 C ATOM 373 C PRO A 23 11.218 0.934 -10.597 1.00 0.00 C ATOM 374 O PRO A 23 11.984 1.198 -11.525 1.00 0.00 O ATOM 375 CB PRO A 23 12.503 1.176 -8.439 1.00 0.00 C ATOM 376 CG PRO A 23 11.932 0.172 -7.496 1.00 0.00 C ATOM 377 CD PRO A 23 10.528 0.619 -7.204 1.00 0.00 C ATOM 0 HA PRO A 23 11.374 2.730 -9.513 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.263 0.729 -9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.981 1.996 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.939 -0.824 -7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.521 0.119 -6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.863 -0.228 -7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.482 1.243 -6.311 1.00 0.00 H new ATOM 385 N SER A 24 10.271 0.005 -10.679 1.00 0.00 N ATOM 386 CA SER A 24 10.048 -0.777 -11.884 1.00 0.00 C ATOM 387 C SER A 24 8.938 -0.160 -12.742 1.00 0.00 C ATOM 388 O SER A 24 9.025 -0.148 -13.973 1.00 0.00 O ATOM 389 CB SER A 24 9.680 -2.209 -11.485 1.00 0.00 C ATOM 390 OG SER A 24 10.445 -2.622 -10.363 1.00 0.00 O ATOM 0 H SER A 24 9.639 -0.225 -9.912 1.00 0.00 H new ATOM 0 HA SER A 24 10.961 -0.783 -12.480 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.617 -2.266 -11.249 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.858 -2.884 -12.322 1.00 0.00 H new ATOM 0 HG SER A 24 10.198 -3.538 -10.118 1.00 0.00 H new ATOM 396 N LYS A 25 7.903 0.365 -12.088 1.00 0.00 N ATOM 397 CA LYS A 25 6.756 0.946 -12.783 1.00 0.00 C ATOM 398 C LYS A 25 5.889 1.732 -11.808 1.00 0.00 C ATOM 399 O LYS A 25 6.129 1.716 -10.606 1.00 0.00 O ATOM 400 CB LYS A 25 5.908 -0.151 -13.437 1.00 0.00 C ATOM 401 CG LYS A 25 5.280 -1.106 -12.435 1.00 0.00 C ATOM 402 CD LYS A 25 4.349 -2.103 -13.110 1.00 0.00 C ATOM 403 CE LYS A 25 5.094 -3.014 -14.072 1.00 0.00 C ATOM 404 NZ LYS A 25 4.196 -4.030 -14.686 1.00 0.00 N ATOM 0 H LYS A 25 7.836 0.400 -11.071 1.00 0.00 H new ATOM 0 HA LYS A 25 7.134 1.615 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.119 0.314 -14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.532 -0.719 -14.128 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.066 -1.644 -11.904 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.724 -0.537 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.851 -2.706 -12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.570 -1.564 -13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.553 -2.414 -14.858 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.902 -3.518 -13.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.744 -4.630 -15.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.777 -4.620 -13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.439 -3.551 -15.214 1.00 0.00 H new ATOM 418 N GLN A 26 4.878 2.405 -12.327 1.00 0.00 N ATOM 419 CA GLN A 26 3.940 3.135 -11.485 1.00 0.00 C ATOM 420 C GLN A 26 2.514 2.796 -11.895 1.00 0.00 C ATOM 421 O GLN A 26 2.191 2.791 -13.082 1.00 0.00 O ATOM 422 CB GLN A 26 4.169 4.641 -11.599 1.00 0.00 C ATOM 423 CG GLN A 26 3.534 5.437 -10.470 1.00 0.00 C ATOM 424 CD GLN A 26 3.688 6.932 -10.652 1.00 0.00 C ATOM 425 OE1 GLN A 26 2.812 7.599 -11.202 1.00 0.00 O ATOM 426 NE2 GLN A 26 4.816 7.465 -10.216 1.00 0.00 N ATOM 0 H GLN A 26 4.683 2.463 -13.327 1.00 0.00 H new ATOM 0 HA GLN A 26 4.101 2.840 -10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.241 4.838 -11.614 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.768 4.991 -12.550 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.474 5.190 -10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.986 5.142 -9.523 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.517 6.877 -9.765 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.985 8.464 -10.330 1.00 0.00 H new ATOM 435 N PHE A 27 1.669 2.503 -10.921 1.00 0.00 N ATOM 436 CA PHE A 27 0.299 2.106 -11.209 1.00 0.00 C ATOM 437 C PHE A 27 -0.635 2.482 -10.066 1.00 0.00 C ATOM 438 O PHE A 27 -0.191 2.743 -8.947 1.00 0.00 O ATOM 439 CB PHE A 27 0.228 0.598 -11.483 1.00 0.00 C ATOM 440 CG PHE A 27 0.797 -0.263 -10.383 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.146 -0.583 -10.359 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.017 -0.755 -9.376 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.669 -1.377 -9.356 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.499 -1.549 -8.369 1.00 0.00 C ATOM 445 CZ PHE A 27 1.845 -1.860 -8.359 1.00 0.00 C ATOM 0 H PHE A 27 1.904 2.532 -9.929 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.027 2.642 -12.100 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.813 0.319 -11.644 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.762 0.384 -12.409 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.797 -0.207 -11.135 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.070 -0.515 -9.378 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.721 -1.619 -9.352 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.149 -1.926 -7.591 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.252 -2.479 -7.573 1.00 0.00 H new ATOM 455 N THR A 28 -1.924 2.515 -10.360 1.00 0.00 N ATOM 456 CA THR A 28 -2.933 2.830 -9.362 1.00 0.00 C ATOM 457 C THR A 28 -3.710 1.571 -8.998 1.00 0.00 C ATOM 458 O THR A 28 -3.960 0.719 -9.855 1.00 0.00 O ATOM 459 CB THR A 28 -3.917 3.897 -9.881 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.195 4.959 -10.521 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.766 4.474 -8.756 1.00 0.00 C ATOM 0 H THR A 28 -2.299 2.326 -11.290 1.00 0.00 H new ATOM 0 HA THR A 28 -2.424 3.223 -8.482 1.00 0.00 H new ATOM 0 HB THR A 28 -4.581 3.412 -10.596 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.827 5.632 -10.850 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.447 5.222 -9.161 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.342 3.675 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.118 4.938 -8.012 1.00 0.00 H new ATOM 469 N VAL A 29 -4.079 1.448 -7.734 1.00 0.00 N ATOM 470 CA VAL A 29 -4.806 0.276 -7.259 1.00 0.00 C ATOM 471 C VAL A 29 -6.036 0.701 -6.465 1.00 0.00 C ATOM 472 O VAL A 29 -5.999 1.698 -5.738 1.00 0.00 O ATOM 473 CB VAL A 29 -3.914 -0.623 -6.363 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.635 -1.909 -5.985 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.598 -0.944 -7.049 1.00 0.00 C ATOM 0 H VAL A 29 -3.888 2.145 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.109 -0.295 -8.137 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.701 -0.066 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.986 -2.519 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.546 -1.668 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.890 -2.462 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.993 -1.575 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.794 -1.469 -7.984 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.061 -0.019 -7.258 1.00 0.00 H new ATOM 485 N GLU A 30 -7.131 -0.028 -6.628 1.00 0.00 N ATOM 486 CA GLU A 30 -8.306 0.188 -5.804 1.00 0.00 C ATOM 487 C GLU A 30 -8.241 -0.672 -4.564 1.00 0.00 C ATOM 488 O GLU A 30 -8.369 -1.896 -4.627 1.00 0.00 O ATOM 489 CB GLU A 30 -9.598 -0.120 -6.553 1.00 0.00 C ATOM 490 CG GLU A 30 -9.992 0.952 -7.545 1.00 0.00 C ATOM 491 CD GLU A 30 -11.333 0.679 -8.186 1.00 0.00 C ATOM 492 OE1 GLU A 30 -12.357 0.756 -7.480 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.370 0.399 -9.401 1.00 0.00 O ATOM 0 H GLU A 30 -7.228 -0.770 -7.321 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.312 1.243 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.486 -1.068 -7.080 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.405 -0.250 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.024 1.917 -7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.229 1.023 -8.321 1.00 0.00 H new ATOM 500 N VAL A 31 -8.027 -0.030 -3.441 1.00 0.00 N ATOM 501 CA VAL A 31 -8.029 -0.722 -2.167 1.00 0.00 C ATOM 502 C VAL A 31 -9.089 -0.121 -1.259 1.00 0.00 C ATOM 503 O VAL A 31 -9.469 1.040 -1.422 1.00 0.00 O ATOM 504 CB VAL A 31 -6.648 -0.674 -1.474 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.585 -1.326 -2.347 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.262 0.757 -1.130 1.00 0.00 C ATOM 0 H VAL A 31 -7.849 0.972 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.258 -1.770 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.717 -1.237 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.621 -1.281 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.852 -2.367 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.520 -0.797 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.287 0.764 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.216 1.351 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.006 1.183 -0.457 1.00 0.00 H new ATOM 516 N ASP A 32 -9.589 -0.914 -0.334 1.00 0.00 N ATOM 517 CA ASP A 32 -10.613 -0.448 0.590 1.00 0.00 C ATOM 518 C ASP A 32 -10.015 0.571 1.560 1.00 0.00 C ATOM 519 O ASP A 32 -8.817 0.547 1.830 1.00 0.00 O ATOM 520 CB ASP A 32 -11.199 -1.636 1.358 1.00 0.00 C ATOM 521 CG ASP A 32 -12.455 -1.289 2.135 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.350 -0.628 3.190 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.554 -1.684 1.698 1.00 0.00 O ATOM 0 H ASP A 32 -9.306 -1.885 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.412 0.034 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.425 -2.438 0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.448 -2.020 2.048 1.00 0.00 H new ATOM 528 N ARG A 33 -10.845 1.467 2.082 1.00 0.00 N ATOM 529 CA ARG A 33 -10.374 2.484 3.020 1.00 0.00 C ATOM 530 C ARG A 33 -9.921 1.842 4.329 1.00 0.00 C ATOM 531 O ARG A 33 -9.054 2.363 5.029 1.00 0.00 O ATOM 532 CB ARG A 33 -11.474 3.505 3.307 1.00 0.00 C ATOM 533 CG ARG A 33 -11.921 4.283 2.086 1.00 0.00 C ATOM 534 CD ARG A 33 -13.010 5.283 2.434 1.00 0.00 C ATOM 535 NE ARG A 33 -13.354 6.137 1.299 1.00 0.00 N ATOM 536 CZ ARG A 33 -14.500 6.807 1.191 1.00 0.00 C ATOM 537 NH1 ARG A 33 -15.435 6.677 2.118 1.00 0.00 N ATOM 538 NH2 ARG A 33 -14.711 7.594 0.145 1.00 0.00 N ATOM 0 H ARG A 33 -11.843 1.512 1.874 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.527 2.994 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.334 2.988 3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.118 4.206 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.068 4.807 1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.288 3.592 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.899 4.749 2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.679 5.903 3.267 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.675 6.225 0.543 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.279 6.063 2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.312 7.191 2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.996 7.686 -0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.588 8.107 0.062 1.00 0.00 H new ATOM 552 N THR A 34 -10.514 0.703 4.645 1.00 0.00 N ATOM 553 CA THR A 34 -10.195 -0.016 5.865 1.00 0.00 C ATOM 554 C THR A 34 -9.216 -1.151 5.581 1.00 0.00 C ATOM 555 O THR A 34 -9.028 -2.042 6.407 1.00 0.00 O ATOM 556 CB THR A 34 -11.468 -0.577 6.529 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.153 -1.466 5.633 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.398 0.556 6.932 1.00 0.00 C ATOM 0 H THR A 34 -11.225 0.254 4.067 1.00 0.00 H new ATOM 0 HA THR A 34 -9.729 0.690 6.552 1.00 0.00 H new ATOM 0 HB THR A 34 -11.171 -1.130 7.420 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.449 -0.969 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.292 0.144 7.399 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.888 1.211 7.639 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.681 1.126 6.047 1.00 0.00 H new ATOM 566 N GLU A 35 -8.604 -1.110 4.401 1.00 0.00 N ATOM 567 CA GLU A 35 -7.648 -2.129 3.986 1.00 0.00 C ATOM 568 C GLU A 35 -6.498 -2.213 4.986 1.00 0.00 C ATOM 569 O GLU A 35 -5.917 -1.195 5.362 1.00 0.00 O ATOM 570 CB GLU A 35 -7.095 -1.788 2.600 1.00 0.00 C ATOM 571 CG GLU A 35 -6.504 -2.969 1.856 1.00 0.00 C ATOM 572 CD GLU A 35 -7.565 -3.896 1.304 1.00 0.00 C ATOM 573 OE1 GLU A 35 -8.069 -3.628 0.193 1.00 0.00 O ATOM 574 OE2 GLU A 35 -7.895 -4.899 1.970 1.00 0.00 O ATOM 0 H GLU A 35 -8.756 -0.375 3.711 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.158 -3.092 3.948 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.896 -1.358 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.329 -1.020 2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.883 -2.605 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.852 -3.528 2.527 1.00 0.00 H new ATOM 581 N THR A 36 -6.193 -3.418 5.435 1.00 0.00 N ATOM 582 CA THR A 36 -5.073 -3.641 6.337 1.00 0.00 C ATOM 583 C THR A 36 -3.748 -3.472 5.590 1.00 0.00 C ATOM 584 O THR A 36 -3.698 -3.649 4.373 1.00 0.00 O ATOM 585 CB THR A 36 -5.151 -5.057 6.938 1.00 0.00 C ATOM 586 OG1 THR A 36 -6.358 -5.700 6.493 1.00 0.00 O ATOM 587 CG2 THR A 36 -5.134 -5.010 8.458 1.00 0.00 C ATOM 0 H THR A 36 -6.708 -4.263 5.189 1.00 0.00 H new ATOM 0 HA THR A 36 -5.124 -2.907 7.141 1.00 0.00 H new ATOM 0 HB THR A 36 -4.280 -5.620 6.602 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.408 -6.602 6.874 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.190 -6.024 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.212 -4.539 8.797 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.988 -4.434 8.814 1.00 0.00 H new ATOM 595 N VAL A 37 -2.681 -3.129 6.307 1.00 0.00 N ATOM 596 CA VAL A 37 -1.368 -2.982 5.685 1.00 0.00 C ATOM 597 C VAL A 37 -0.929 -4.312 5.087 1.00 0.00 C ATOM 598 O VAL A 37 -0.326 -4.364 4.013 1.00 0.00 O ATOM 599 CB VAL A 37 -0.308 -2.482 6.687 1.00 0.00 C ATOM 600 CG1 VAL A 37 1.064 -2.391 6.029 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.715 -1.132 7.254 1.00 0.00 C ATOM 0 H VAL A 37 -2.699 -2.949 7.311 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.456 -2.233 4.898 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.244 -3.201 7.504 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.794 -2.036 6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.361 -3.376 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.020 -1.696 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.042 -0.791 7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.807 -0.410 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.673 -1.226 7.766 1.00 0.00 H new ATOM 611 N SER A 38 -1.273 -5.389 5.778 1.00 0.00 N ATOM 612 CA SER A 38 -1.023 -6.732 5.289 1.00 0.00 C ATOM 613 C SER A 38 -1.797 -6.991 3.997 1.00 0.00 C ATOM 614 O SER A 38 -1.318 -7.684 3.098 1.00 0.00 O ATOM 615 CB SER A 38 -1.422 -7.741 6.362 1.00 0.00 C ATOM 616 OG SER A 38 -2.550 -7.279 7.087 1.00 0.00 O ATOM 0 H SER A 38 -1.731 -5.355 6.689 1.00 0.00 H new ATOM 0 HA SER A 38 0.039 -6.839 5.069 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.649 -8.701 5.899 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.587 -7.905 7.043 1.00 0.00 H new ATOM 0 HG SER A 38 -2.250 -6.774 7.872 1.00 0.00 H new ATOM 622 N SER A 39 -2.982 -6.404 3.899 1.00 0.00 N ATOM 623 CA SER A 39 -3.835 -6.607 2.746 1.00 0.00 C ATOM 624 C SER A 39 -3.367 -5.731 1.593 1.00 0.00 C ATOM 625 O SER A 39 -3.476 -6.106 0.428 1.00 0.00 O ATOM 626 CB SER A 39 -5.286 -6.299 3.113 1.00 0.00 C ATOM 627 OG SER A 39 -5.700 -7.075 4.230 1.00 0.00 O ATOM 0 H SER A 39 -3.371 -5.783 4.608 1.00 0.00 H new ATOM 0 HA SER A 39 -3.775 -7.648 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.391 -5.239 3.342 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.933 -6.506 2.261 1.00 0.00 H new ATOM 0 HG SER A 39 -6.044 -6.482 4.931 1.00 0.00 H new ATOM 633 N LEU A 40 -2.831 -4.566 1.937 1.00 0.00 N ATOM 634 CA LEU A 40 -2.266 -3.658 0.956 1.00 0.00 C ATOM 635 C LEU A 40 -1.090 -4.325 0.259 1.00 0.00 C ATOM 636 O LEU A 40 -0.960 -4.269 -0.963 1.00 0.00 O ATOM 637 CB LEU A 40 -1.793 -2.369 1.629 1.00 0.00 C ATOM 638 CG LEU A 40 -1.528 -1.217 0.669 1.00 0.00 C ATOM 639 CD1 LEU A 40 -2.836 -0.785 0.039 1.00 0.00 C ATOM 640 CD2 LEU A 40 -0.855 -0.057 1.386 1.00 0.00 C ATOM 0 H LEU A 40 -2.778 -4.229 2.898 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.036 -3.412 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.544 -2.056 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.880 -2.579 2.186 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.848 -1.550 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.653 0.040 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.272 -1.623 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.526 -0.461 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.676 0.753 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.501 0.298 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.095 -0.390 1.804 1.00 0.00 H new ATOM 652 N LYS A 41 -0.240 -4.965 1.058 1.00 0.00 N ATOM 653 CA LYS A 41 0.901 -5.702 0.535 1.00 0.00 C ATOM 654 C LYS A 41 0.447 -6.785 -0.432 1.00 0.00 C ATOM 655 O LYS A 41 1.024 -6.952 -1.505 1.00 0.00 O ATOM 656 CB LYS A 41 1.690 -6.341 1.677 1.00 0.00 C ATOM 657 CG LYS A 41 2.387 -5.343 2.587 1.00 0.00 C ATOM 658 CD LYS A 41 2.868 -6.015 3.861 1.00 0.00 C ATOM 659 CE LYS A 41 3.581 -5.044 4.784 1.00 0.00 C ATOM 660 NZ LYS A 41 3.990 -5.700 6.050 1.00 0.00 N ATOM 0 H LYS A 41 -0.323 -4.986 2.074 1.00 0.00 H new ATOM 0 HA LYS A 41 1.540 -4.997 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.013 -6.950 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.436 -7.015 1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.233 -4.898 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.703 -4.532 2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.017 -6.453 4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.541 -6.834 3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.460 -4.641 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.925 -4.202 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.206 -4.974 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.216 -6.304 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.835 -6.283 5.882 1.00 0.00 H new ATOM 674 N ASP A 42 -0.593 -7.516 -0.042 1.00 0.00 N ATOM 675 CA ASP A 42 -1.139 -8.581 -0.880 1.00 0.00 C ATOM 676 C ASP A 42 -1.695 -8.006 -2.178 1.00 0.00 C ATOM 677 O ASP A 42 -1.448 -8.539 -3.255 1.00 0.00 O ATOM 678 CB ASP A 42 -2.228 -9.355 -0.133 1.00 0.00 C ATOM 679 CG ASP A 42 -2.796 -10.502 -0.948 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.098 -11.529 -1.107 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.952 -10.400 -1.408 1.00 0.00 O ATOM 0 H ASP A 42 -1.075 -7.391 0.848 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.331 -9.272 -1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.817 -9.745 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.034 -8.672 0.136 1.00 0.00 H new ATOM 686 N LYS A 43 -2.411 -6.888 -2.064 1.00 0.00 N ATOM 687 CA LYS A 43 -2.968 -6.198 -3.227 1.00 0.00 C ATOM 688 C LYS A 43 -1.873 -5.883 -4.240 1.00 0.00 C ATOM 689 O LYS A 43 -1.997 -6.189 -5.427 1.00 0.00 O ATOM 690 CB LYS A 43 -3.641 -4.888 -2.800 1.00 0.00 C ATOM 691 CG LYS A 43 -5.032 -5.043 -2.206 1.00 0.00 C ATOM 692 CD LYS A 43 -6.055 -5.406 -3.273 1.00 0.00 C ATOM 693 CE LYS A 43 -7.441 -4.887 -2.922 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.972 -5.470 -1.664 1.00 0.00 N ATOM 0 H LYS A 43 -2.620 -6.439 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.706 -6.857 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.003 -4.391 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.704 -4.230 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.017 -5.815 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.327 -4.114 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.743 -4.992 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.091 -6.489 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.404 -3.802 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.126 -5.112 -3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.882 -5.936 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.297 -6.168 -1.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.110 -4.715 -0.962 1.00 0.00 H new ATOM 708 N ILE A 44 -0.798 -5.277 -3.757 1.00 0.00 N ATOM 709 CA ILE A 44 0.325 -4.914 -4.605 1.00 0.00 C ATOM 710 C ILE A 44 1.029 -6.160 -5.136 1.00 0.00 C ATOM 711 O ILE A 44 1.436 -6.205 -6.293 1.00 0.00 O ATOM 712 CB ILE A 44 1.334 -4.031 -3.839 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.644 -2.757 -3.340 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.522 -3.680 -4.724 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.540 -1.852 -2.523 1.00 0.00 C ATOM 0 H ILE A 44 -0.681 -5.026 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.069 -4.345 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 44 1.704 -4.591 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.267 -2.200 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.220 -3.036 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.221 -3.058 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.023 -4.595 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.174 -3.136 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.978 -0.973 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.897 -2.390 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.392 -1.541 -3.128 1.00 0.00 H new ATOM 727 N HIS A 45 1.148 -7.176 -4.291 1.00 0.00 N ATOM 728 CA HIS A 45 1.799 -8.427 -4.669 1.00 0.00 C ATOM 729 C HIS A 45 1.051 -9.128 -5.805 1.00 0.00 C ATOM 730 O HIS A 45 1.654 -9.829 -6.614 1.00 0.00 O ATOM 731 CB HIS A 45 1.899 -9.347 -3.451 1.00 0.00 C ATOM 732 CG HIS A 45 2.607 -10.638 -3.720 1.00 0.00 C ATOM 733 ND1 HIS A 45 3.948 -10.717 -4.034 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.147 -11.909 -3.719 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.277 -11.983 -4.214 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.203 -12.727 -4.028 1.00 0.00 N ATOM 0 H HIS A 45 0.800 -7.159 -3.332 1.00 0.00 H new ATOM 0 HA HIS A 45 2.801 -8.193 -5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.419 -8.819 -2.651 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.894 -9.564 -3.089 1.00 0.00 H new ATOM 0 HD1 HIS A 45 4.584 -9.924 -4.114 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.134 -12.222 -3.513 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.260 -12.348 -4.471 1.00 0.00 H new ATOM 745 N ILE A 46 -0.261 -8.943 -5.849 1.00 0.00 N ATOM 746 CA ILE A 46 -1.084 -9.532 -6.899 1.00 0.00 C ATOM 747 C ILE A 46 -0.876 -8.806 -8.227 1.00 0.00 C ATOM 748 O ILE A 46 -0.856 -9.426 -9.293 1.00 0.00 O ATOM 749 CB ILE A 46 -2.581 -9.500 -6.516 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.810 -10.338 -5.258 1.00 0.00 C ATOM 751 CG2 ILE A 46 -3.446 -10.007 -7.662 1.00 0.00 C ATOM 752 CD1 ILE A 46 -4.206 -10.222 -4.697 1.00 0.00 C ATOM 0 H ILE A 46 -0.780 -8.388 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.774 -10.571 -7.013 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.868 -8.468 -6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.606 -11.384 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.095 -10.033 -4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.495 -9.975 -7.368 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.295 -9.376 -8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.168 -11.033 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.293 -10.844 -3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.408 -9.183 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.927 -10.555 -5.444 1.00 0.00 H new ATOM 764 N VAL A 47 -0.701 -7.495 -8.154 1.00 0.00 N ATOM 765 CA VAL A 47 -0.504 -6.688 -9.348 1.00 0.00 C ATOM 766 C VAL A 47 0.946 -6.755 -9.823 1.00 0.00 C ATOM 767 O VAL A 47 1.210 -7.021 -10.994 1.00 0.00 O ATOM 768 CB VAL A 47 -0.894 -5.215 -9.102 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.634 -4.372 -10.343 1.00 0.00 C ATOM 770 CG2 VAL A 47 -2.352 -5.113 -8.685 1.00 0.00 C ATOM 0 H VAL A 47 -0.691 -6.968 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.153 -7.099 -10.122 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.274 -4.829 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.916 -3.338 -10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.425 -4.417 -10.598 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.224 -4.757 -11.175 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.610 -4.068 -8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.985 -5.520 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.508 -5.678 -7.766 1.00 0.00 H new ATOM 780 N GLU A 48 1.874 -6.529 -8.906 1.00 0.00 N ATOM 781 CA GLU A 48 3.287 -6.490 -9.241 1.00 0.00 C ATOM 782 C GLU A 48 3.931 -7.863 -9.045 1.00 0.00 C ATOM 783 O GLU A 48 3.244 -8.857 -8.804 1.00 0.00 O ATOM 784 CB GLU A 48 4.000 -5.437 -8.385 1.00 0.00 C ATOM 785 CG GLU A 48 4.753 -4.392 -9.198 1.00 0.00 C ATOM 786 CD GLU A 48 5.718 -5.017 -10.184 1.00 0.00 C ATOM 787 OE1 GLU A 48 6.681 -5.679 -9.740 1.00 0.00 O ATOM 788 OE2 GLU A 48 5.501 -4.877 -11.403 1.00 0.00 O ATOM 0 H GLU A 48 1.671 -6.369 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 48 3.386 -6.218 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.265 -4.934 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.701 -5.939 -7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.038 -3.770 -9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.301 -3.735 -8.523 1.00 0.00 H new ATOM 795 N ASN A 49 5.249 -7.908 -9.154 1.00 0.00 N ATOM 796 CA ASN A 49 5.994 -9.153 -9.048 1.00 0.00 C ATOM 797 C ASN A 49 6.585 -9.295 -7.657 1.00 0.00 C ATOM 798 O ASN A 49 6.487 -10.354 -7.034 1.00 0.00 O ATOM 799 CB ASN A 49 7.128 -9.180 -10.080 1.00 0.00 C ATOM 800 CG ASN A 49 6.660 -8.889 -11.495 1.00 0.00 C ATOM 801 OD1 ASN A 49 6.310 -9.796 -12.248 1.00 0.00 O ATOM 802 ND2 ASN A 49 6.645 -7.616 -11.867 1.00 0.00 N ATOM 0 H ASN A 49 5.831 -7.086 -9.318 1.00 0.00 H new ATOM 0 HA ASN A 49 5.309 -9.980 -9.237 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.885 -8.448 -9.797 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.607 -10.159 -10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.336 -7.362 -12.805 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.943 -6.891 -11.215 1.00 0.00 H new ATOM 809 N THR A 50 7.169 -8.197 -7.184 1.00 0.00 N ATOM 810 CA THR A 50 7.926 -8.154 -5.940 1.00 0.00 C ATOM 811 C THR A 50 7.215 -8.850 -4.774 1.00 0.00 C ATOM 812 O THR A 50 6.043 -8.587 -4.482 1.00 0.00 O ATOM 813 CB THR A 50 8.219 -6.693 -5.555 1.00 0.00 C ATOM 814 OG1 THR A 50 8.741 -5.993 -6.695 1.00 0.00 O ATOM 815 CG2 THR A 50 9.225 -6.617 -4.415 1.00 0.00 C ATOM 0 H THR A 50 7.128 -7.298 -7.664 1.00 0.00 H new ATOM 0 HA THR A 50 8.853 -8.698 -6.123 1.00 0.00 H new ATOM 0 HB THR A 50 7.287 -6.233 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.346 -5.283 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.413 -5.573 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.826 -7.134 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.158 -7.090 -4.721 1.00 0.00 H new ATOM 823 N PRO A 51 7.927 -9.785 -4.127 1.00 0.00 N ATOM 824 CA PRO A 51 7.478 -10.428 -2.892 1.00 0.00 C ATOM 825 C PRO A 51 7.268 -9.420 -1.765 1.00 0.00 C ATOM 826 O PRO A 51 7.994 -8.428 -1.657 1.00 0.00 O ATOM 827 CB PRO A 51 8.621 -11.382 -2.535 1.00 0.00 C ATOM 828 CG PRO A 51 9.377 -11.579 -3.803 1.00 0.00 C ATOM 829 CD PRO A 51 9.224 -10.306 -4.582 1.00 0.00 C ATOM 0 HA PRO A 51 6.518 -10.927 -3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.258 -10.959 -1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.239 -12.329 -2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.428 -11.789 -3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.984 -12.428 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.034 -9.607 -4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.230 -10.489 -5.657 1.00 0.00 H new ATOM 837 N ILE A 52 6.294 -9.709 -0.913 1.00 0.00 N ATOM 838 CA ILE A 52 5.912 -8.826 0.183 1.00 0.00 C ATOM 839 C ILE A 52 7.068 -8.610 1.168 1.00 0.00 C ATOM 840 O ILE A 52 7.172 -7.559 1.795 1.00 0.00 O ATOM 841 CB ILE A 52 4.676 -9.405 0.921 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.460 -9.400 -0.014 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.372 -8.626 2.190 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.229 -10.055 0.575 1.00 0.00 C ATOM 0 H ILE A 52 5.743 -10.566 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 52 5.658 -7.855 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 52 4.903 -10.431 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.220 -8.370 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.724 -9.912 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.501 -9.058 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.229 -8.675 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.168 -7.585 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.413 -10.011 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.449 -11.096 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.938 -9.530 1.485 1.00 0.00 H new ATOM 856 N LYS A 53 7.943 -9.605 1.278 1.00 0.00 N ATOM 857 CA LYS A 53 9.092 -9.534 2.181 1.00 0.00 C ATOM 858 C LYS A 53 10.058 -8.416 1.790 1.00 0.00 C ATOM 859 O LYS A 53 10.626 -7.739 2.650 1.00 0.00 O ATOM 860 CB LYS A 53 9.855 -10.852 2.160 1.00 0.00 C ATOM 861 CG LYS A 53 9.036 -12.054 2.590 1.00 0.00 C ATOM 862 CD LYS A 53 9.861 -13.320 2.487 1.00 0.00 C ATOM 863 CE LYS A 53 10.322 -13.562 1.057 1.00 0.00 C ATOM 864 NZ LYS A 53 11.182 -14.769 0.933 1.00 0.00 N ATOM 0 H LYS A 53 7.879 -10.476 0.751 1.00 0.00 H new ATOM 0 HA LYS A 53 8.701 -9.329 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.231 -11.025 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.723 -10.766 2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.692 -11.919 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.148 -12.139 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.728 -13.247 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.272 -14.170 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.451 -13.673 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.872 -12.690 0.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.469 -14.890 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.028 -14.655 1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.651 -15.607 1.244 1.00 0.00 H new ATOM 878 N ARG A 54 10.234 -8.230 0.489 1.00 0.00 N ATOM 879 CA ARG A 54 11.304 -7.384 -0.027 1.00 0.00 C ATOM 880 C ARG A 54 10.841 -5.946 -0.232 1.00 0.00 C ATOM 881 O ARG A 54 11.612 -5.001 -0.037 1.00 0.00 O ATOM 882 CB ARG A 54 11.822 -7.963 -1.344 1.00 0.00 C ATOM 883 CG ARG A 54 12.336 -9.387 -1.212 1.00 0.00 C ATOM 884 CD ARG A 54 12.825 -9.927 -2.541 1.00 0.00 C ATOM 885 NE ARG A 54 13.436 -11.251 -2.402 1.00 0.00 N ATOM 886 CZ ARG A 54 14.678 -11.552 -2.786 1.00 0.00 C ATOM 887 NH1 ARG A 54 15.448 -10.640 -3.368 1.00 0.00 N ATOM 888 NH2 ARG A 54 15.148 -12.776 -2.595 1.00 0.00 N ATOM 0 H ARG A 54 9.649 -8.654 -0.231 1.00 0.00 H new ATOM 0 HA ARG A 54 12.106 -7.366 0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.021 -7.940 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.623 -7.328 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.148 -9.416 -0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.542 -10.027 -0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.990 -9.984 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.551 -9.235 -2.969 1.00 0.00 H new ATOM 0 HE ARG A 54 12.874 -11.993 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.092 -9.697 -3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.396 -10.882 -3.657 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.561 -13.485 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.097 -13.009 -2.887 1.00 0.00 H new ATOM 902 N MET A 55 9.597 -5.784 -0.649 1.00 0.00 N ATOM 903 CA MET A 55 9.036 -4.452 -0.853 1.00 0.00 C ATOM 904 C MET A 55 8.528 -3.864 0.463 1.00 0.00 C ATOM 905 O MET A 55 7.792 -4.512 1.207 1.00 0.00 O ATOM 906 CB MET A 55 7.913 -4.483 -1.897 1.00 0.00 C ATOM 907 CG MET A 55 6.723 -5.349 -1.522 1.00 0.00 C ATOM 908 SD MET A 55 5.472 -5.379 -2.819 1.00 0.00 S ATOM 909 CE MET A 55 4.212 -6.383 -2.045 1.00 0.00 C ATOM 0 H MET A 55 8.956 -6.551 -0.853 1.00 0.00 H new ATOM 0 HA MET A 55 9.833 -3.810 -1.228 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.565 -3.464 -2.067 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.323 -4.841 -2.841 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.063 -6.365 -1.323 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.279 -4.975 -0.599 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.252 -6.198 -2.528 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.473 -7.436 -2.147 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.142 -6.127 -0.988 1.00 0.00 H new ATOM 919 N GLN A 56 8.937 -2.636 0.749 1.00 0.00 N ATOM 920 CA GLN A 56 8.530 -1.954 1.970 1.00 0.00 C ATOM 921 C GLN A 56 7.680 -0.733 1.649 1.00 0.00 C ATOM 922 O GLN A 56 8.007 0.041 0.746 1.00 0.00 O ATOM 923 CB GLN A 56 9.759 -1.565 2.787 1.00 0.00 C ATOM 924 CG GLN A 56 10.396 -2.750 3.489 1.00 0.00 C ATOM 925 CD GLN A 56 11.754 -2.437 4.078 1.00 0.00 C ATOM 926 OE1 GLN A 56 12.039 -1.301 4.458 1.00 0.00 O ATOM 927 NE2 GLN A 56 12.603 -3.446 4.162 1.00 0.00 N ATOM 0 H GLN A 56 9.554 -2.089 0.149 1.00 0.00 H new ATOM 0 HA GLN A 56 7.921 -2.635 2.564 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.494 -1.099 2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.475 -0.818 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.733 -3.092 4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.496 -3.573 2.781 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.328 -4.372 3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.533 -3.298 4.553 1.00 0.00 H new ATOM 936 N LEU A 57 6.595 -0.567 2.393 1.00 0.00 N ATOM 937 CA LEU A 57 5.613 0.468 2.103 1.00 0.00 C ATOM 938 C LEU A 57 5.873 1.722 2.932 1.00 0.00 C ATOM 939 O LEU A 57 6.022 1.651 4.154 1.00 0.00 O ATOM 940 CB LEU A 57 4.198 -0.045 2.394 1.00 0.00 C ATOM 941 CG LEU A 57 3.839 -1.398 1.774 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.426 -1.797 2.165 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.978 -1.354 0.260 1.00 0.00 C ATOM 0 H LEU A 57 6.372 -1.140 3.207 1.00 0.00 H new ATOM 0 HA LEU A 57 5.701 0.721 1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.073 -0.117 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.483 0.697 2.039 1.00 0.00 H new ATOM 0 HG LEU A 57 4.534 -2.146 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.183 -2.761 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.356 -1.873 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.723 -1.044 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.718 -2.327 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.309 -0.594 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.007 -1.109 -0.004 1.00 0.00 H new ATOM 955 N TYR A 58 5.932 2.863 2.263 1.00 0.00 N ATOM 956 CA TYR A 58 6.094 4.140 2.936 1.00 0.00 C ATOM 957 C TYR A 58 5.040 5.129 2.459 1.00 0.00 C ATOM 958 O TYR A 58 4.729 5.195 1.268 1.00 0.00 O ATOM 959 CB TYR A 58 7.495 4.704 2.690 1.00 0.00 C ATOM 960 CG TYR A 58 8.586 3.967 3.435 1.00 0.00 C ATOM 961 CD1 TYR A 58 9.099 2.765 2.961 1.00 0.00 C ATOM 962 CD2 TYR A 58 9.097 4.475 4.621 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.093 2.094 3.648 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.091 3.809 5.311 1.00 0.00 C ATOM 965 CZ TYR A 58 10.584 2.620 4.822 1.00 0.00 C ATOM 966 OH TYR A 58 11.575 1.953 5.511 1.00 0.00 O ATOM 0 H TYR A 58 5.869 2.929 1.247 1.00 0.00 H new ATOM 0 HA TYR A 58 5.967 3.981 4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.709 4.669 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.511 5.753 2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.715 2.349 2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.711 5.406 5.011 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.483 1.162 3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.480 4.219 6.231 1.00 0.00 H new ATOM 0 HH TYR A 58 11.340 1.910 6.461 1.00 0.00 H new ATOM 976 N TYR A 59 4.481 5.878 3.393 1.00 0.00 N ATOM 977 CA TYR A 59 3.460 6.863 3.079 1.00 0.00 C ATOM 978 C TYR A 59 3.889 8.238 3.571 1.00 0.00 C ATOM 979 O TYR A 59 3.983 8.462 4.777 1.00 0.00 O ATOM 980 CB TYR A 59 2.128 6.462 3.718 1.00 0.00 C ATOM 981 CG TYR A 59 1.009 7.450 3.474 1.00 0.00 C ATOM 982 CD1 TYR A 59 0.486 7.635 2.202 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.478 8.200 4.517 1.00 0.00 C ATOM 984 CE1 TYR A 59 -0.536 8.536 1.973 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.544 9.103 4.297 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.047 9.270 3.023 1.00 0.00 C ATOM 987 OH TYR A 59 -2.066 10.171 2.797 1.00 0.00 O ATOM 0 H TYR A 59 4.719 5.822 4.383 1.00 0.00 H new ATOM 0 HA TYR A 59 3.331 6.904 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.830 5.487 3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.271 6.348 4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.885 7.064 1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.871 8.075 5.515 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.933 8.665 0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.948 9.676 5.119 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.312 10.605 3.641 1.00 0.00 H new ATOM 997 N SER A 60 4.151 9.144 2.630 1.00 0.00 N ATOM 998 CA SER A 60 4.643 10.484 2.941 1.00 0.00 C ATOM 999 C SER A 60 6.044 10.400 3.552 1.00 0.00 C ATOM 1000 O SER A 60 7.044 10.444 2.835 1.00 0.00 O ATOM 1001 CB SER A 60 3.670 11.217 3.878 1.00 0.00 C ATOM 1002 OG SER A 60 4.069 12.556 4.099 1.00 0.00 O ATOM 0 H SER A 60 4.028 8.970 1.633 1.00 0.00 H new ATOM 0 HA SER A 60 4.706 11.059 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.669 11.201 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.616 10.691 4.831 1.00 0.00 H new ATOM 0 HG SER A 60 3.428 12.994 4.697 1.00 0.00 H new ATOM 1008 N GLY A 61 6.109 10.264 4.868 1.00 0.00 N ATOM 1009 CA GLY A 61 7.370 10.030 5.541 1.00 0.00 C ATOM 1010 C GLY A 61 7.209 8.983 6.619 1.00 0.00 C ATOM 1011 O GLY A 61 8.109 8.752 7.427 1.00 0.00 O ATOM 0 H GLY A 61 5.301 10.312 5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.119 9.705 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.733 10.960 5.980 1.00 0.00 H new ATOM 1015 N ILE A 62 6.044 8.347 6.617 1.00 0.00 N ATOM 1016 CA ILE A 62 5.694 7.359 7.622 1.00 0.00 C ATOM 1017 C ILE A 62 5.938 5.953 7.095 1.00 0.00 C ATOM 1018 O ILE A 62 5.455 5.587 6.021 1.00 0.00 O ATOM 1019 CB ILE A 62 4.212 7.494 8.035 1.00 0.00 C ATOM 1020 CG1 ILE A 62 3.925 8.911 8.531 1.00 0.00 C ATOM 1021 CG2 ILE A 62 3.859 6.473 9.108 1.00 0.00 C ATOM 1022 CD1 ILE A 62 2.451 9.202 8.714 1.00 0.00 C ATOM 0 H ILE A 62 5.318 8.504 5.918 1.00 0.00 H new ATOM 0 HA ILE A 62 6.325 7.536 8.493 1.00 0.00 H new ATOM 0 HB ILE A 62 3.592 7.300 7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.438 9.066 9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.343 9.626 7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.811 6.584 9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.028 5.467 8.723 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.486 6.635 9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.323 10.225 9.068 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.935 9.080 7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.032 8.511 9.445 1.00 0.00 H new ATOM 1034 N GLU A 63 6.697 5.178 7.847 1.00 0.00 N ATOM 1035 CA GLU A 63 6.957 3.792 7.505 1.00 0.00 C ATOM 1036 C GLU A 63 5.780 2.924 7.927 1.00 0.00 C ATOM 1037 O GLU A 63 5.436 2.873 9.109 1.00 0.00 O ATOM 1038 CB GLU A 63 8.233 3.320 8.198 1.00 0.00 C ATOM 1039 CG GLU A 63 8.575 1.862 7.951 1.00 0.00 C ATOM 1040 CD GLU A 63 9.857 1.458 8.641 1.00 0.00 C ATOM 1041 OE1 GLU A 63 9.857 1.358 9.886 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.878 1.267 7.948 1.00 0.00 O ATOM 0 H GLU A 63 7.148 5.489 8.707 1.00 0.00 H new ATOM 0 HA GLU A 63 7.087 3.707 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.065 3.938 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.130 3.480 9.271 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.758 1.233 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.670 1.688 6.879 1.00 0.00 H new ATOM 1049 N LEU A 64 5.164 2.250 6.965 1.00 0.00 N ATOM 1050 CA LEU A 64 4.031 1.384 7.256 1.00 0.00 C ATOM 1051 C LEU A 64 4.530 0.044 7.782 1.00 0.00 C ATOM 1052 O LEU A 64 4.628 -0.934 7.039 1.00 0.00 O ATOM 1053 CB LEU A 64 3.166 1.180 6.006 1.00 0.00 C ATOM 1054 CG LEU A 64 2.687 2.464 5.325 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.807 2.138 4.128 1.00 0.00 C ATOM 1056 CD2 LEU A 64 1.941 3.351 6.311 1.00 0.00 C ATOM 0 H LEU A 64 5.429 2.286 5.981 1.00 0.00 H new ATOM 0 HA LEU A 64 3.414 1.859 8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.734 0.595 5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.294 0.587 6.281 1.00 0.00 H new ATOM 0 HG LEU A 64 3.562 3.009 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.476 3.064 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.375 1.548 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.938 1.569 4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.610 4.258 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.075 2.815 6.700 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.603 3.616 7.135 1.00 0.00 H new ATOM 1068 N ALA A 65 4.872 0.017 9.062 1.00 0.00 N ATOM 1069 CA ALA A 65 5.461 -1.165 9.669 1.00 0.00 C ATOM 1070 C ALA A 65 4.398 -2.034 10.317 1.00 0.00 C ATOM 1071 O ALA A 65 4.513 -3.262 10.321 1.00 0.00 O ATOM 1072 CB ALA A 65 6.513 -0.769 10.692 1.00 0.00 C ATOM 0 H ALA A 65 4.751 0.803 9.701 1.00 0.00 H new ATOM 0 HA ALA A 65 5.939 -1.745 8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.944 -1.666 11.137 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.299 -0.194 10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.052 -0.163 11.472 1.00 0.00 H new ATOM 1078 N ASP A 66 3.362 -1.402 10.854 1.00 0.00 N ATOM 1079 CA ASP A 66 2.300 -2.134 11.531 1.00 0.00 C ATOM 1080 C ASP A 66 1.448 -2.892 10.528 1.00 0.00 C ATOM 1081 O ASP A 66 0.533 -2.336 9.924 1.00 0.00 O ATOM 1082 CB ASP A 66 1.414 -1.206 12.362 1.00 0.00 C ATOM 1083 CG ASP A 66 2.174 -0.495 13.458 1.00 0.00 C ATOM 1084 OD1 ASP A 66 2.755 -1.179 14.327 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.203 0.750 13.449 1.00 0.00 O ATOM 0 H ASP A 66 3.235 -0.390 10.834 1.00 0.00 H new ATOM 0 HA ASP A 66 2.778 -2.843 12.207 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.955 -0.466 11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.604 -1.785 12.805 1.00 0.00 H new ATOM 1090 N ASP A 67 1.768 -4.163 10.363 1.00 0.00 N ATOM 1091 CA ASP A 67 1.083 -5.035 9.415 1.00 0.00 C ATOM 1092 C ASP A 67 -0.359 -5.259 9.842 1.00 0.00 C ATOM 1093 O ASP A 67 -1.244 -5.491 9.019 1.00 0.00 O ATOM 1094 CB ASP A 67 1.818 -6.372 9.360 1.00 0.00 C ATOM 1095 CG ASP A 67 1.455 -7.208 8.154 1.00 0.00 C ATOM 1096 OD1 ASP A 67 1.803 -6.810 7.020 1.00 0.00 O ATOM 1097 OD2 ASP A 67 0.844 -8.279 8.333 1.00 0.00 O ATOM 0 H ASP A 67 2.513 -4.625 10.884 1.00 0.00 H new ATOM 0 HA ASP A 67 1.080 -4.567 8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.892 -6.188 9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.596 -6.938 10.265 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.582 -5.165 11.144 1.00 0.00 N ATOM 1103 CA TYR A 68 -1.895 -5.399 11.723 1.00 0.00 C ATOM 1104 C TYR A 68 -2.783 -4.159 11.619 1.00 0.00 C ATOM 1105 O TYR A 68 -3.984 -4.228 11.875 1.00 0.00 O ATOM 1106 CB TYR A 68 -1.758 -5.819 13.192 1.00 0.00 C ATOM 1107 CG TYR A 68 -0.946 -4.849 14.028 1.00 0.00 C ATOM 1108 CD1 TYR A 68 0.436 -4.944 14.078 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -1.561 -3.834 14.755 1.00 0.00 C ATOM 1110 CE1 TYR A 68 1.187 -4.060 14.825 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -0.815 -2.940 15.502 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.558 -3.060 15.535 1.00 0.00 C ATOM 1113 OH TYR A 68 1.310 -2.167 16.268 1.00 0.00 O ATOM 0 H TYR A 68 0.138 -4.926 11.825 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.368 -6.202 11.158 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.752 -5.917 13.627 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.292 -6.803 13.238 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.934 -5.724 13.522 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.637 -3.743 14.736 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.263 -4.151 14.853 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.305 -2.153 16.056 1.00 0.00 H new ATOM 0 HH TYR A 68 2.061 -1.848 15.725 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.191 -3.025 11.257 1.00 0.00 N ATOM 1124 CA ARG A 69 -2.937 -1.777 11.166 1.00 0.00 C ATOM 1125 C ARG A 69 -3.608 -1.627 9.811 1.00 0.00 C ATOM 1126 O ARG A 69 -3.277 -2.333 8.860 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.027 -0.575 11.425 1.00 0.00 C ATOM 1128 CG ARG A 69 -2.064 -0.087 12.861 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.239 1.179 13.038 1.00 0.00 C ATOM 1130 NE ARG A 69 -1.613 1.909 14.248 1.00 0.00 N ATOM 1131 CZ ARG A 69 -0.741 2.446 15.103 1.00 0.00 C ATOM 1132 NH1 ARG A 69 0.565 2.288 14.929 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -1.185 3.133 16.148 1.00 0.00 N ATOM 0 H ARG A 69 -1.201 -2.946 11.023 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.711 -1.809 11.933 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.002 -0.843 11.167 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.319 0.241 10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.096 0.105 13.155 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.684 -0.866 13.522 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.181 0.920 13.083 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.373 1.824 12.169 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.607 2.015 14.452 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.912 1.751 14.134 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.222 2.704 15.590 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.188 3.248 16.294 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.523 3.546 16.805 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.549 -0.700 9.737 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.287 -0.443 8.508 1.00 0.00 C ATOM 1149 C ASN A 70 -4.808 0.868 7.892 1.00 0.00 C ATOM 1150 O ASN A 70 -4.115 1.644 8.547 1.00 0.00 O ATOM 1151 CB ASN A 70 -6.794 -0.359 8.788 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.373 -1.614 9.424 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -6.700 -2.332 10.156 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -8.646 -1.872 9.169 1.00 0.00 N ATOM 0 H ASN A 70 -4.823 -0.107 10.521 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.108 -1.265 7.815 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.985 0.490 9.444 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.317 -0.163 7.852 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.094 -2.688 9.586 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.178 -1.255 8.556 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.182 1.118 6.643 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.775 2.340 5.950 1.00 0.00 C ATOM 1163 C LEU A 71 -5.355 3.579 6.624 1.00 0.00 C ATOM 1164 O LEU A 71 -4.687 4.610 6.735 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.208 2.300 4.486 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.697 1.098 3.691 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -5.083 1.226 2.226 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.190 0.956 3.841 1.00 0.00 C ATOM 0 H LEU A 71 -5.766 0.493 6.087 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.688 2.397 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.297 2.306 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.865 3.212 3.997 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.164 0.198 4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.711 0.362 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.168 1.273 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.646 2.135 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.847 0.095 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.701 1.857 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.941 0.814 4.893 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.596 3.468 7.082 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.275 4.565 7.771 1.00 0.00 C ATOM 1182 C ASN A 72 -6.508 4.987 9.023 1.00 0.00 C ATOM 1183 O ASN A 72 -6.572 6.145 9.440 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.717 4.172 8.123 1.00 0.00 C ATOM 1185 CG ASN A 72 -8.804 2.924 8.986 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -8.852 1.806 8.473 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -8.852 3.107 10.298 1.00 0.00 N ATOM 0 H ASN A 72 -7.159 2.623 6.989 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.307 5.419 7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.195 5.001 8.645 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.277 4.009 7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.932 2.304 10.922 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.809 4.050 10.683 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.772 4.044 9.612 1.00 0.00 N ATOM 1195 CA GLU A 73 -4.958 4.314 10.794 1.00 0.00 C ATOM 1196 C GLU A 73 -3.908 5.384 10.525 1.00 0.00 C ATOM 1197 O GLU A 73 -3.567 6.166 11.414 1.00 0.00 O ATOM 1198 CB GLU A 73 -4.270 3.033 11.270 1.00 0.00 C ATOM 1199 CG GLU A 73 -5.078 2.249 12.283 1.00 0.00 C ATOM 1200 CD GLU A 73 -5.134 2.952 13.622 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -6.037 3.783 13.826 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -4.254 2.690 14.470 1.00 0.00 O ATOM 0 H GLU A 73 -5.724 3.079 9.285 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.628 4.682 11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.069 2.397 10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.306 3.290 11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.090 2.103 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.640 1.259 12.410 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.402 5.417 9.300 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.352 6.359 8.933 1.00 0.00 C ATOM 1211 C TYR A 74 -2.943 7.585 8.250 1.00 0.00 C ATOM 1212 O TYR A 74 -2.236 8.547 7.956 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.331 5.688 8.011 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.766 4.404 8.571 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.309 4.421 9.452 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -1.311 3.176 8.223 1.00 0.00 C ATOM 1217 CE1 TYR A 74 0.823 3.247 9.966 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.802 2.000 8.733 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.264 2.041 9.605 1.00 0.00 C ATOM 1220 OH TYR A 74 0.769 0.869 10.115 1.00 0.00 O ATOM 0 H TYR A 74 -3.701 4.802 8.543 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.848 6.678 9.845 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.802 5.480 7.050 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.513 6.383 7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.748 5.365 9.738 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.148 3.141 7.541 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.660 3.274 10.648 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.236 1.052 8.450 1.00 0.00 H new ATOM 0 HH TYR A 74 1.649 1.037 10.512 1.00 0.00 H new ATOM 1230 N GLY A 75 -4.245 7.542 8.005 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.914 8.645 7.348 1.00 0.00 C ATOM 1232 C GLY A 75 -4.739 8.610 5.845 1.00 0.00 C ATOM 1233 O GLY A 75 -4.796 9.647 5.184 1.00 0.00 O ATOM 0 H GLY A 75 -4.851 6.760 8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.977 8.618 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.524 9.586 7.735 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.527 7.415 5.306 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.331 7.248 3.875 1.00 0.00 C ATOM 1239 C ILE A 76 -5.635 7.492 3.124 1.00 0.00 C ATOM 1240 O ILE A 76 -6.603 6.745 3.269 1.00 0.00 O ATOM 1241 CB ILE A 76 -3.780 5.844 3.537 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.424 5.639 4.222 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.657 5.663 2.029 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.772 4.312 3.901 1.00 0.00 C ATOM 0 H ILE A 76 -4.487 6.548 5.841 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.594 7.985 3.557 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.477 5.093 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.752 6.444 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.557 5.716 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.267 4.668 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.638 5.777 1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.977 6.414 1.627 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.817 4.240 4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.423 3.499 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.605 4.239 2.826 1.00 0.00 H new ATOM 1256 N THR A 77 -5.648 8.559 2.343 1.00 0.00 N ATOM 1257 CA THR A 77 -6.820 8.947 1.578 1.00 0.00 C ATOM 1258 C THR A 77 -6.637 8.569 0.105 1.00 0.00 C ATOM 1259 O THR A 77 -5.717 7.826 -0.240 1.00 0.00 O ATOM 1260 CB THR A 77 -7.071 10.470 1.728 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.310 10.850 1.116 1.00 0.00 O ATOM 1262 CG2 THR A 77 -5.930 11.277 1.117 1.00 0.00 C ATOM 0 H THR A 77 -4.848 9.180 2.222 1.00 0.00 H new ATOM 0 HA THR A 77 -7.690 8.414 1.963 1.00 0.00 H new ATOM 0 HB THR A 77 -7.123 10.687 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.447 11.814 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.132 12.341 1.236 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.997 11.026 1.621 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.845 11.041 0.056 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.511 9.065 -0.757 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.403 8.806 -2.184 1.00 0.00 C ATOM 1272 C GLU A 78 -6.323 9.696 -2.795 1.00 0.00 C ATOM 1273 O GLU A 78 -6.055 10.788 -2.288 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.753 9.033 -2.874 1.00 0.00 C ATOM 1275 CG GLU A 78 -8.712 8.819 -4.379 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.084 8.828 -5.013 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.696 9.909 -5.113 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -10.558 7.743 -5.408 1.00 0.00 O ATOM 0 H GLU A 78 -8.304 9.650 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.119 7.764 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.491 8.359 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.090 10.049 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.102 9.599 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.225 7.867 -4.592 1.00 0.00 H new ATOM 1285 N PHE A 79 -5.699 9.205 -3.867 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.614 9.912 -4.556 1.00 0.00 C ATOM 1287 C PHE A 79 -3.364 9.909 -3.690 1.00 0.00 C ATOM 1288 O PHE A 79 -2.465 10.739 -3.849 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.013 11.348 -4.924 1.00 0.00 C ATOM 1290 CG PHE A 79 -6.184 11.432 -5.862 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -6.107 10.894 -7.135 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.362 12.047 -5.468 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -7.181 10.965 -7.998 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -8.441 12.122 -6.329 1.00 0.00 C ATOM 1295 CZ PHE A 79 -8.350 11.579 -7.594 1.00 0.00 C ATOM 0 H PHE A 79 -5.931 8.304 -4.284 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.407 9.386 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.251 11.894 -4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.158 11.847 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.195 10.413 -7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.438 12.472 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.108 10.541 -8.988 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.354 12.605 -6.012 1.00 0.00 H new ATOM 0 HZ PHE A 79 -9.192 11.634 -8.268 1.00 0.00 H new ATOM 1305 N SER A 80 -3.317 8.949 -2.779 1.00 0.00 N ATOM 1306 CA SER A 80 -2.187 8.779 -1.894 1.00 0.00 C ATOM 1307 C SER A 80 -1.022 8.144 -2.634 1.00 0.00 C ATOM 1308 O SER A 80 -1.167 7.102 -3.277 1.00 0.00 O ATOM 1309 CB SER A 80 -2.600 7.922 -0.701 1.00 0.00 C ATOM 1310 OG SER A 80 -3.421 6.845 -1.117 1.00 0.00 O ATOM 0 H SER A 80 -4.064 8.269 -2.637 1.00 0.00 H new ATOM 0 HA SER A 80 -1.863 9.756 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.712 7.536 -0.200 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.135 8.534 0.025 1.00 0.00 H new ATOM 0 HG SER A 80 -4.321 6.958 -0.747 1.00 0.00 H new ATOM 1316 N GLU A 81 0.121 8.794 -2.567 1.00 0.00 N ATOM 1317 CA GLU A 81 1.314 8.290 -3.208 1.00 0.00 C ATOM 1318 C GLU A 81 2.032 7.312 -2.296 1.00 0.00 C ATOM 1319 O GLU A 81 2.738 7.711 -1.371 1.00 0.00 O ATOM 1320 CB GLU A 81 2.238 9.443 -3.583 1.00 0.00 C ATOM 1321 CG GLU A 81 1.677 10.343 -4.671 1.00 0.00 C ATOM 1322 CD GLU A 81 2.616 11.474 -5.033 1.00 0.00 C ATOM 1323 OE1 GLU A 81 3.009 12.239 -4.132 1.00 0.00 O ATOM 1324 OE2 GLU A 81 2.996 11.572 -6.217 1.00 0.00 O ATOM 0 H GLU A 81 0.248 9.677 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 81 1.025 7.765 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.437 10.042 -2.694 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.194 9.038 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.472 9.747 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.725 10.758 -4.339 1.00 0.00 H new ATOM 1331 N ILE A 82 1.824 6.034 -2.549 1.00 0.00 N ATOM 1332 CA ILE A 82 2.466 4.991 -1.775 1.00 0.00 C ATOM 1333 C ILE A 82 3.846 4.720 -2.341 1.00 0.00 C ATOM 1334 O ILE A 82 3.987 4.230 -3.463 1.00 0.00 O ATOM 1335 CB ILE A 82 1.641 3.687 -1.773 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.215 3.955 -1.286 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.308 2.625 -0.908 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.144 4.646 0.061 1.00 0.00 C ATOM 0 H ILE A 82 1.211 5.693 -3.290 1.00 0.00 H new ATOM 0 HA ILE A 82 2.543 5.337 -0.744 1.00 0.00 H new ATOM 0 HB ILE A 82 1.594 3.313 -2.796 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.301 4.568 -2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.322 3.008 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.708 1.715 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.303 2.410 -1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.391 2.989 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.899 4.801 0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.630 4.026 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.650 5.609 0.003 1.00 0.00 H new ATOM 1350 N VAL A 83 4.858 5.069 -1.572 1.00 0.00 N ATOM 1351 CA VAL A 83 6.229 4.905 -2.008 1.00 0.00 C ATOM 1352 C VAL A 83 6.751 3.549 -1.564 1.00 0.00 C ATOM 1353 O VAL A 83 6.907 3.290 -0.370 1.00 0.00 O ATOM 1354 CB VAL A 83 7.144 6.015 -1.448 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.544 5.905 -2.034 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.556 7.392 -1.723 1.00 0.00 C ATOM 0 H VAL A 83 4.755 5.469 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 83 6.241 4.973 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 83 7.213 5.883 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.172 6.697 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.970 4.935 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.493 6.004 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.218 8.158 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.450 7.534 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.578 7.471 -1.249 1.00 0.00 H new ATOM 1366 N VAL A 84 6.993 2.678 -2.525 1.00 0.00 N ATOM 1367 CA VAL A 84 7.479 1.348 -2.230 1.00 0.00 C ATOM 1368 C VAL A 84 8.986 1.285 -2.424 1.00 0.00 C ATOM 1369 O VAL A 84 9.488 1.352 -3.547 1.00 0.00 O ATOM 1370 CB VAL A 84 6.797 0.282 -3.109 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.250 -1.113 -2.711 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.283 0.402 -3.015 1.00 0.00 C ATOM 0 H VAL A 84 6.860 2.870 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 84 7.234 1.133 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 84 7.091 0.452 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.756 -1.850 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.330 -1.194 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.989 -1.297 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.818 -0.359 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.970 0.260 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.975 1.391 -3.355 1.00 0.00 H new ATOM 1382 N PHE A 85 9.701 1.162 -1.323 1.00 0.00 N ATOM 1383 CA PHE A 85 11.149 1.100 -1.364 1.00 0.00 C ATOM 1384 C PHE A 85 11.610 -0.341 -1.473 1.00 0.00 C ATOM 1385 O PHE A 85 11.472 -1.126 -0.533 1.00 0.00 O ATOM 1386 CB PHE A 85 11.759 1.756 -0.125 1.00 0.00 C ATOM 1387 CG PHE A 85 11.809 3.256 -0.196 1.00 0.00 C ATOM 1388 CD1 PHE A 85 12.750 3.891 -0.990 1.00 0.00 C ATOM 1389 CD2 PHE A 85 10.928 4.032 0.535 1.00 0.00 C ATOM 1390 CE1 PHE A 85 12.808 5.270 -1.054 1.00 0.00 C ATOM 1391 CE2 PHE A 85 10.980 5.412 0.477 1.00 0.00 C ATOM 1392 CZ PHE A 85 11.922 6.032 -0.320 1.00 0.00 C ATOM 0 H PHE A 85 9.302 1.103 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 85 11.488 1.648 -2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.182 1.462 0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.770 1.374 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.447 3.301 -1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.189 3.553 1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 85 13.546 5.751 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.285 6.004 1.054 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.965 7.110 -0.369 1.00 0.00 H new ATOM 1402 N LEU A 86 12.135 -0.690 -2.637 1.00 0.00 N ATOM 1403 CA LEU A 86 12.641 -2.030 -2.865 1.00 0.00 C ATOM 1404 C LEU A 86 14.054 -2.152 -2.330 1.00 0.00 C ATOM 1405 O LEU A 86 14.996 -1.591 -2.892 1.00 0.00 O ATOM 1406 CB LEU A 86 12.609 -2.394 -4.352 1.00 0.00 C ATOM 1407 CG LEU A 86 11.222 -2.364 -4.996 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.231 -3.095 -6.329 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.187 -2.964 -4.062 1.00 0.00 C ATOM 0 H LEU A 86 12.221 -0.063 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 86 11.993 -2.728 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.259 -1.706 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.029 -3.392 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 86 10.954 -1.324 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.234 -3.061 -6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.942 -2.615 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.523 -4.133 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.207 -2.934 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.452 -3.998 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.158 -2.392 -3.135 1.00 0.00 H new ATOM 1421 N LYS A 87 14.194 -2.881 -1.234 1.00 0.00 N ATOM 1422 CA LYS A 87 15.498 -3.093 -0.625 1.00 0.00 C ATOM 1423 C LYS A 87 16.227 -4.222 -1.337 1.00 0.00 C ATOM 1424 O LYS A 87 17.390 -4.509 -1.054 1.00 0.00 O ATOM 1425 CB LYS A 87 15.340 -3.407 0.862 1.00 0.00 C ATOM 1426 CG LYS A 87 14.585 -2.328 1.618 1.00 0.00 C ATOM 1427 CD LYS A 87 15.246 -0.967 1.458 1.00 0.00 C ATOM 1428 CE LYS A 87 14.430 0.133 2.112 1.00 0.00 C ATOM 1429 NZ LYS A 87 14.344 -0.033 3.588 1.00 0.00 N ATOM 0 H LYS A 87 13.421 -3.336 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 87 16.089 -2.182 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.816 -4.356 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.326 -3.533 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.558 -2.280 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.538 -2.589 2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.243 -0.992 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.372 -0.746 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.877 1.100 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.425 0.138 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.595 0.863 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.374 -0.300 3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.003 -0.778 3.893 1.00 0.00 H new