USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 37 CYS SG : rot 54:sc= -0.906 USER MOD Set 1.2: A 51 HIS : no HD1:sc= -5.12! C(o=-6!,f=-6.6!) USER MOD Set 2.1: A 17 SER OG : rot -77:sc= 0.0735 USER MOD Set 2.2: A 24 MET CE :methyl -146:sc= -1.92 (180deg=-3.65!) USER MOD Single : A 15 THR OG1 : rot 34:sc= 0.168 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -111:sc= -0.763 (180deg=-2.59!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -158:sc= -0.107 (180deg=-0.731) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.533 K(o=-0.53,f=-1.9!) USER MOD Single : A 36 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.2!) USER MOD Single : A 49 CYS SG : rot 154:sc= -0.346 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.187 F(o=-1.7,f=-0.19) USER MOD Single : A 61 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.63) USER MOD Single : A 64 MET CE :methyl -173:sc= -0.343 (180deg=-0.385) USER MOD Single : A 67 CYS SG : rot 180:sc=-0.00533 USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= -0.0156 (180deg=-0.169) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.01 X(o=-2,f=-2.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.9!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.063) USER MOD Single : A 98 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.0036) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 15 12.021 10.208 -5.876 1.00 0.00 N ATOM 199 CA THR A 15 11.903 9.873 -4.462 1.00 0.00 C ATOM 200 C THR A 15 12.426 8.469 -4.184 1.00 0.00 C ATOM 201 O THR A 15 11.744 7.477 -4.446 1.00 0.00 O ATOM 202 CB THR A 15 10.443 9.969 -3.982 1.00 0.00 C ATOM 203 OG1 THR A 15 9.892 11.241 -4.341 1.00 0.00 O ATOM 204 CG2 THR A 15 10.355 9.780 -2.475 1.00 0.00 C ATOM 0 HA THR A 15 12.506 10.597 -3.914 1.00 0.00 H new ATOM 0 HB THR A 15 9.872 9.176 -4.466 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.278 11.536 -5.192 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.314 9.852 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.748 8.799 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.940 10.553 -1.977 1.00 0.00 H new ATOM 212 N THR A 16 13.642 8.389 -3.651 1.00 0.00 N ATOM 213 CA THR A 16 14.257 7.106 -3.338 1.00 0.00 C ATOM 214 C THR A 16 14.341 6.890 -1.831 1.00 0.00 C ATOM 215 O THR A 16 13.852 7.705 -1.049 1.00 0.00 O ATOM 216 CB THR A 16 15.670 6.998 -3.940 1.00 0.00 C ATOM 217 OG1 THR A 16 16.469 8.109 -3.518 1.00 0.00 O ATOM 218 CG2 THR A 16 15.609 6.960 -5.460 1.00 0.00 C ATOM 0 H THR A 16 14.220 9.199 -3.427 1.00 0.00 H new ATOM 0 HA THR A 16 13.623 6.336 -3.778 1.00 0.00 H new ATOM 0 HB THR A 16 16.121 6.071 -3.586 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.367 8.032 -3.904 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.619 6.884 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.025 6.097 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.140 7.872 -5.828 1.00 0.00 H new ATOM 226 N SER A 17 14.965 5.786 -1.430 1.00 0.00 N ATOM 227 CA SER A 17 15.110 5.462 -0.016 1.00 0.00 C ATOM 228 C SER A 17 16.560 5.120 0.316 1.00 0.00 C ATOM 229 O SER A 17 17.082 5.525 1.355 1.00 0.00 O ATOM 230 CB SER A 17 14.200 4.290 0.356 1.00 0.00 C ATOM 231 OG SER A 17 14.450 3.167 -0.471 1.00 0.00 O ATOM 0 H SER A 17 15.378 5.102 -2.064 1.00 0.00 H new ATOM 0 HA SER A 17 14.819 6.337 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.359 4.019 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.157 4.591 0.260 1.00 0.00 H new ATOM 0 HG SER A 17 14.042 3.311 -1.350 1.00 0.00 H new ATOM 237 N SER A 18 17.204 4.372 -0.574 1.00 0.00 N ATOM 238 CA SER A 18 18.592 3.971 -0.374 1.00 0.00 C ATOM 239 C SER A 18 18.725 3.060 0.842 1.00 0.00 C ATOM 240 O SER A 18 19.546 3.303 1.726 1.00 0.00 O ATOM 241 CB SER A 18 19.481 5.205 -0.202 1.00 0.00 C ATOM 242 OG SER A 18 20.833 4.904 -0.498 1.00 0.00 O ATOM 0 H SER A 18 16.787 4.031 -1.440 1.00 0.00 H new ATOM 0 HA SER A 18 18.916 3.419 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 18 19.131 6.003 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.403 5.574 0.821 1.00 0.00 H new ATOM 0 HG SER A 18 21.380 5.709 -0.382 1.00 0.00 H new ATOM 248 N MET A 19 17.911 2.010 0.879 1.00 0.00 N ATOM 249 CA MET A 19 17.938 1.061 1.986 1.00 0.00 C ATOM 250 C MET A 19 17.025 -0.128 1.705 1.00 0.00 C ATOM 251 O MET A 19 16.131 -0.050 0.862 1.00 0.00 O ATOM 252 CB MET A 19 17.514 1.749 3.285 1.00 0.00 C ATOM 253 CG MET A 19 16.229 2.551 3.158 1.00 0.00 C ATOM 254 SD MET A 19 15.865 3.518 4.635 1.00 0.00 S ATOM 255 CE MET A 19 14.434 2.645 5.267 1.00 0.00 C ATOM 0 H MET A 19 17.225 1.795 0.156 1.00 0.00 H new ATOM 0 HA MET A 19 18.959 0.695 2.094 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.386 0.994 4.061 1.00 0.00 H new ATOM 0 HB3 MET A 19 18.315 2.411 3.614 1.00 0.00 H new ATOM 0 HG2 MET A 19 16.306 3.220 2.301 1.00 0.00 H new ATOM 0 HG3 MET A 19 15.400 1.872 2.959 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.549 3.273 5.163 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.293 1.723 4.704 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.588 2.407 6.320 1.00 0.00 H new ATOM 265 N ASP A 20 17.256 -1.226 2.415 1.00 0.00 N ATOM 266 CA ASP A 20 16.454 -2.432 2.242 1.00 0.00 C ATOM 267 C ASP A 20 14.967 -2.093 2.198 1.00 0.00 C ATOM 268 O ASP A 20 14.494 -1.173 2.866 1.00 0.00 O ATOM 269 CB ASP A 20 16.730 -3.421 3.375 1.00 0.00 C ATOM 270 CG ASP A 20 17.885 -4.353 3.061 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.998 -3.850 2.803 1.00 0.00 O ATOM 272 OD2 ASP A 20 17.674 -5.584 3.074 1.00 0.00 O ATOM 0 H ASP A 20 17.992 -1.306 3.116 1.00 0.00 H new ATOM 0 HA ASP A 20 16.733 -2.891 1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.950 -2.870 4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.833 -4.010 3.566 1.00 0.00 H new ATOM 277 N PRO A 21 14.210 -2.852 1.391 1.00 0.00 N ATOM 278 CA PRO A 21 12.766 -2.651 1.240 1.00 0.00 C ATOM 279 C PRO A 21 11.992 -3.040 2.494 1.00 0.00 C ATOM 280 O PRO A 21 10.901 -2.529 2.745 1.00 0.00 O ATOM 281 CB PRO A 21 12.399 -3.576 0.077 1.00 0.00 C ATOM 282 CG PRO A 21 13.447 -4.636 0.090 1.00 0.00 C ATOM 283 CD PRO A 21 14.707 -3.966 0.566 1.00 0.00 C ATOM 0 HA PRO A 21 12.517 -1.604 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.404 -4.001 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.393 -3.037 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.166 -5.455 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.583 -5.063 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.331 -4.648 1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.312 -3.610 -0.268 1.00 0.00 H new ATOM 291 N SER A 22 12.564 -3.948 3.280 1.00 0.00 N ATOM 292 CA SER A 22 11.925 -4.408 4.507 1.00 0.00 C ATOM 293 C SER A 22 11.659 -3.239 5.451 1.00 0.00 C ATOM 294 O SER A 22 10.635 -3.199 6.134 1.00 0.00 O ATOM 295 CB SER A 22 12.801 -5.451 5.203 1.00 0.00 C ATOM 296 OG SER A 22 12.046 -6.221 6.122 1.00 0.00 O ATOM 0 H SER A 22 13.468 -4.379 3.088 1.00 0.00 H new ATOM 0 HA SER A 22 10.971 -4.864 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.252 -6.107 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.618 -4.954 5.726 1.00 0.00 H new ATOM 0 HG SER A 22 12.629 -6.881 6.552 1.00 0.00 H new ATOM 302 N ASP A 23 12.588 -2.290 5.485 1.00 0.00 N ATOM 303 CA ASP A 23 12.454 -1.120 6.344 1.00 0.00 C ATOM 304 C ASP A 23 11.431 -0.142 5.776 1.00 0.00 C ATOM 305 O ASP A 23 10.614 0.414 6.510 1.00 0.00 O ATOM 306 CB ASP A 23 13.807 -0.424 6.508 1.00 0.00 C ATOM 307 CG ASP A 23 14.747 -1.193 7.416 1.00 0.00 C ATOM 308 OD1 ASP A 23 14.726 -0.943 8.639 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.504 -2.043 6.903 1.00 0.00 O ATOM 0 H ASP A 23 13.442 -2.308 4.927 1.00 0.00 H new ATOM 0 HA ASP A 23 12.105 -1.455 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.271 -0.302 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.651 0.576 6.914 1.00 0.00 H new ATOM 314 N MET A 24 11.482 0.064 4.464 1.00 0.00 N ATOM 315 CA MET A 24 10.559 0.975 3.797 1.00 0.00 C ATOM 316 C MET A 24 9.129 0.746 4.275 1.00 0.00 C ATOM 317 O MET A 24 8.523 1.621 4.892 1.00 0.00 O ATOM 318 CB MET A 24 10.638 0.794 2.279 1.00 0.00 C ATOM 319 CG MET A 24 11.687 1.670 1.616 1.00 0.00 C ATOM 320 SD MET A 24 11.055 3.302 1.181 1.00 0.00 S ATOM 321 CE MET A 24 10.687 3.070 -0.557 1.00 0.00 C ATOM 0 H MET A 24 12.152 -0.387 3.842 1.00 0.00 H new ATOM 0 HA MET A 24 10.848 1.995 4.049 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.856 -0.251 2.057 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.664 1.016 1.844 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.539 1.781 2.287 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.053 1.175 0.717 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.874 3.999 -1.096 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.322 2.282 -0.961 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.641 2.788 -0.673 1.00 0.00 H new ATOM 331 N MET A 25 8.595 -0.436 3.985 1.00 0.00 N ATOM 332 CA MET A 25 7.236 -0.780 4.386 1.00 0.00 C ATOM 333 C MET A 25 6.944 -0.283 5.799 1.00 0.00 C ATOM 334 O MET A 25 5.848 0.202 6.082 1.00 0.00 O ATOM 335 CB MET A 25 7.026 -2.293 4.312 1.00 0.00 C ATOM 336 CG MET A 25 6.855 -2.815 2.895 1.00 0.00 C ATOM 337 SD MET A 25 5.436 -2.087 2.054 1.00 0.00 S ATOM 338 CE MET A 25 4.233 -3.404 2.216 1.00 0.00 C ATOM 0 H MET A 25 9.083 -1.172 3.474 1.00 0.00 H new ATOM 0 HA MET A 25 6.547 -0.291 3.698 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.878 -2.793 4.774 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.145 -2.558 4.897 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.759 -2.605 2.323 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.740 -3.899 2.922 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.469 -3.295 1.446 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.730 -4.367 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.767 -3.352 3.200 1.00 0.00 H new ATOM 348 N ARG A 26 7.931 -0.406 6.680 1.00 0.00 N ATOM 349 CA ARG A 26 7.779 0.029 8.063 1.00 0.00 C ATOM 350 C ARG A 26 7.653 1.547 8.144 1.00 0.00 C ATOM 351 O ARG A 26 6.678 2.070 8.683 1.00 0.00 O ATOM 352 CB ARG A 26 8.969 -0.440 8.902 1.00 0.00 C ATOM 353 CG ARG A 26 8.785 -0.226 10.395 1.00 0.00 C ATOM 354 CD ARG A 26 9.548 -1.262 11.205 1.00 0.00 C ATOM 355 NE ARG A 26 8.743 -2.451 11.471 1.00 0.00 N ATOM 356 CZ ARG A 26 9.057 -3.361 12.386 1.00 0.00 C ATOM 357 NH1 ARG A 26 10.152 -3.219 13.120 1.00 0.00 N ATOM 358 NH2 ARG A 26 8.274 -4.417 12.570 1.00 0.00 N ATOM 0 H ARG A 26 8.844 -0.803 6.461 1.00 0.00 H new ATOM 0 HA ARG A 26 6.866 -0.416 8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.140 -1.500 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.864 0.090 8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.127 0.773 10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.725 -0.277 10.643 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.451 -1.549 10.667 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.866 -0.821 12.150 1.00 0.00 H new ATOM 0 HE ARG A 26 7.893 -2.590 10.924 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.756 -2.409 12.983 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.390 -3.920 13.822 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.430 -4.530 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.516 -5.115 13.273 1.00 0.00 H new ATOM 372 N GLU A 27 8.646 2.248 7.606 1.00 0.00 N ATOM 373 CA GLU A 27 8.646 3.706 7.620 1.00 0.00 C ATOM 374 C GLU A 27 7.374 4.256 6.981 1.00 0.00 C ATOM 375 O GLU A 27 6.637 5.023 7.601 1.00 0.00 O ATOM 376 CB GLU A 27 9.874 4.246 6.884 1.00 0.00 C ATOM 377 CG GLU A 27 9.982 5.761 6.908 1.00 0.00 C ATOM 378 CD GLU A 27 10.017 6.320 8.317 1.00 0.00 C ATOM 379 OE1 GLU A 27 8.977 6.260 9.006 1.00 0.00 O ATOM 380 OE2 GLU A 27 11.085 6.819 8.731 1.00 0.00 O ATOM 0 H GLU A 27 9.460 1.830 7.155 1.00 0.00 H new ATOM 0 HA GLU A 27 8.681 4.034 8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.772 3.819 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.843 3.909 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.884 6.066 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.136 6.191 6.371 1.00 0.00 H new ATOM 387 N ILE A 28 7.125 3.859 5.737 1.00 0.00 N ATOM 388 CA ILE A 28 5.943 4.312 5.014 1.00 0.00 C ATOM 389 C ILE A 28 4.718 4.334 5.922 1.00 0.00 C ATOM 390 O ILE A 28 3.984 5.322 5.967 1.00 0.00 O ATOM 391 CB ILE A 28 5.649 3.414 3.798 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.758 3.555 2.752 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.297 3.764 3.195 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.845 2.382 1.802 1.00 0.00 C ATOM 0 H ILE A 28 7.726 3.225 5.210 1.00 0.00 H new ATOM 0 HA ILE A 28 6.154 5.324 4.667 1.00 0.00 H new ATOM 0 HB ILE A 28 5.619 2.376 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.591 4.466 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.714 3.671 3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.104 3.121 2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.517 3.617 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.300 4.806 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.652 2.550 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.044 1.471 2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.902 2.278 1.265 1.00 0.00 H new ATOM 406 N ARG A 29 4.504 3.240 6.646 1.00 0.00 N ATOM 407 CA ARG A 29 3.369 3.135 7.554 1.00 0.00 C ATOM 408 C ARG A 29 3.433 4.213 8.632 1.00 0.00 C ATOM 409 O ARG A 29 2.430 4.855 8.944 1.00 0.00 O ATOM 410 CB ARG A 29 3.335 1.750 8.204 1.00 0.00 C ATOM 411 CG ARG A 29 2.713 0.679 7.323 1.00 0.00 C ATOM 412 CD ARG A 29 2.962 -0.714 7.879 1.00 0.00 C ATOM 413 NE ARG A 29 2.006 -1.064 8.926 1.00 0.00 N ATOM 414 CZ ARG A 29 2.150 -0.716 10.199 1.00 0.00 C ATOM 415 NH1 ARG A 29 3.206 -0.011 10.582 1.00 0.00 N ATOM 416 NH2 ARG A 29 1.237 -1.073 11.093 1.00 0.00 N ATOM 0 H ARG A 29 5.102 2.414 6.621 1.00 0.00 H new ATOM 0 HA ARG A 29 2.458 3.279 6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.352 1.453 8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.776 1.810 9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.640 0.852 7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.126 0.749 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.898 -1.443 7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.974 -0.769 8.279 1.00 0.00 H new ATOM 0 HE ARG A 29 1.182 -1.606 8.665 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.910 0.265 9.898 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.314 0.255 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.423 -1.615 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.349 -0.805 12.071 1.00 0.00 H new ATOM 430 N LYS A 30 4.619 4.406 9.198 1.00 0.00 N ATOM 431 CA LYS A 30 4.816 5.406 10.241 1.00 0.00 C ATOM 432 C LYS A 30 4.350 6.780 9.772 1.00 0.00 C ATOM 433 O LYS A 30 3.641 7.485 10.490 1.00 0.00 O ATOM 434 CB LYS A 30 6.290 5.467 10.646 1.00 0.00 C ATOM 435 CG LYS A 30 6.635 6.668 11.509 1.00 0.00 C ATOM 436 CD LYS A 30 7.933 6.455 12.270 1.00 0.00 C ATOM 437 CE LYS A 30 8.651 7.771 12.527 1.00 0.00 C ATOM 438 NZ LYS A 30 7.916 8.622 13.503 1.00 0.00 N ATOM 0 H LYS A 30 5.459 3.883 8.952 1.00 0.00 H new ATOM 0 HA LYS A 30 4.220 5.115 11.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.548 4.556 11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.905 5.488 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.722 7.555 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.825 6.855 12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.723 5.963 13.219 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.583 5.789 11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.654 7.570 12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.766 8.312 11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.437 9.510 13.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.968 8.835 13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.829 8.116 14.408 1.00 0.00 H new ATOM 452 N VAL A 31 4.751 7.155 8.561 1.00 0.00 N ATOM 453 CA VAL A 31 4.372 8.444 7.995 1.00 0.00 C ATOM 454 C VAL A 31 2.858 8.562 7.863 1.00 0.00 C ATOM 455 O VAL A 31 2.232 9.409 8.502 1.00 0.00 O ATOM 456 CB VAL A 31 5.016 8.661 6.613 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.514 9.954 5.987 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.532 8.668 6.727 1.00 0.00 C ATOM 0 H VAL A 31 5.338 6.584 7.953 1.00 0.00 H new ATOM 0 HA VAL A 31 4.735 9.210 8.680 1.00 0.00 H new ATOM 0 HB VAL A 31 4.727 7.835 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.980 10.091 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.432 9.905 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.771 10.794 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.970 8.822 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.843 9.473 7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.871 7.713 7.129 1.00 0.00 H new ATOM 468 N LEU A 32 2.274 7.708 7.030 1.00 0.00 N ATOM 469 CA LEU A 32 0.831 7.715 6.813 1.00 0.00 C ATOM 470 C LEU A 32 0.084 7.912 8.128 1.00 0.00 C ATOM 471 O LEU A 32 -0.712 8.839 8.269 1.00 0.00 O ATOM 472 CB LEU A 32 0.388 6.409 6.152 1.00 0.00 C ATOM 473 CG LEU A 32 0.848 6.197 4.710 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.720 4.733 4.318 1.00 0.00 C ATOM 475 CD2 LEU A 32 0.049 7.077 3.760 1.00 0.00 C ATOM 0 H LEU A 32 2.777 7.002 6.493 1.00 0.00 H new ATOM 0 HA LEU A 32 0.592 8.548 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.754 5.578 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.701 6.365 6.175 1.00 0.00 H new ATOM 0 HG LEU A 32 1.898 6.480 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.052 4.602 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.337 4.124 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.321 4.423 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.390 6.913 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.009 6.826 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.193 8.124 4.026 1.00 0.00 H new ATOM 487 N GLY A 33 0.349 7.033 9.091 1.00 0.00 N ATOM 488 CA GLY A 33 -0.305 7.129 10.383 1.00 0.00 C ATOM 489 C GLY A 33 -0.390 8.557 10.885 1.00 0.00 C ATOM 490 O GLY A 33 -1.410 8.969 11.436 1.00 0.00 O ATOM 0 H GLY A 33 1.004 6.257 8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.310 6.712 10.310 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.239 6.524 11.108 1.00 0.00 H new ATOM 494 N ALA A 34 0.686 9.314 10.697 1.00 0.00 N ATOM 495 CA ALA A 34 0.729 10.703 11.134 1.00 0.00 C ATOM 496 C ALA A 34 -0.291 11.549 10.380 1.00 0.00 C ATOM 497 O ALA A 34 -0.965 12.395 10.965 1.00 0.00 O ATOM 498 CB ALA A 34 2.128 11.272 10.950 1.00 0.00 C ATOM 0 H ALA A 34 1.540 8.988 10.245 1.00 0.00 H new ATOM 0 HA ALA A 34 0.473 10.731 12.193 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.145 12.310 11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.837 10.692 11.540 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.406 11.222 9.897 1.00 0.00 H new ATOM 504 N ASN A 35 -0.399 11.313 9.076 1.00 0.00 N ATOM 505 CA ASN A 35 -1.337 12.054 8.241 1.00 0.00 C ATOM 506 C ASN A 35 -2.707 11.383 8.233 1.00 0.00 C ATOM 507 O ASN A 35 -3.374 11.321 7.201 1.00 0.00 O ATOM 508 CB ASN A 35 -0.803 12.164 6.811 1.00 0.00 C ATOM 509 CG ASN A 35 0.683 12.465 6.771 1.00 0.00 C ATOM 510 OD1 ASN A 35 1.103 13.600 6.996 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.485 11.447 6.483 1.00 0.00 N ATOM 0 H ASN A 35 0.151 10.615 8.575 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.445 13.054 8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.997 11.231 6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.344 12.949 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.494 11.589 6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.092 10.523 6.304 1.00 0.00 H new ATOM 518 N ASN A 36 -3.120 10.881 9.393 1.00 0.00 N ATOM 519 CA ASN A 36 -4.411 10.214 9.520 1.00 0.00 C ATOM 520 C ASN A 36 -4.750 9.438 8.251 1.00 0.00 C ATOM 521 O ASN A 36 -5.876 9.501 7.754 1.00 0.00 O ATOM 522 CB ASN A 36 -5.510 11.236 9.815 1.00 0.00 C ATOM 523 CG ASN A 36 -6.771 10.590 10.357 1.00 0.00 C ATOM 524 OD1 ASN A 36 -6.781 9.404 10.688 1.00 0.00 O ATOM 525 ND2 ASN A 36 -7.842 11.369 10.450 1.00 0.00 N ATOM 0 H ASN A 36 -2.580 10.923 10.257 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.347 9.509 10.349 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.140 11.965 10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.748 11.782 8.903 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.719 10.990 10.807 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.788 12.347 10.164 1.00 0.00 H new ATOM 532 N CYS A 37 -3.770 8.707 7.732 1.00 0.00 N ATOM 533 CA CYS A 37 -3.964 7.918 6.520 1.00 0.00 C ATOM 534 C CYS A 37 -4.213 6.452 6.859 1.00 0.00 C ATOM 535 O CYS A 37 -3.588 5.899 7.764 1.00 0.00 O ATOM 536 CB CYS A 37 -2.745 8.043 5.605 1.00 0.00 C ATOM 537 SG CYS A 37 -2.710 9.562 4.625 1.00 0.00 S ATOM 0 H CYS A 37 -2.833 8.644 8.131 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.840 8.305 6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.841 7.995 6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.721 7.187 4.930 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.833 10.589 5.412 1.00 0.00 H new ATOM 543 N ASP A 38 -5.131 5.829 6.128 1.00 0.00 N ATOM 544 CA ASP A 38 -5.463 4.427 6.351 1.00 0.00 C ATOM 545 C ASP A 38 -4.690 3.526 5.393 1.00 0.00 C ATOM 546 O ASP A 38 -4.725 3.720 4.178 1.00 0.00 O ATOM 547 CB ASP A 38 -6.966 4.203 6.181 1.00 0.00 C ATOM 548 CG ASP A 38 -7.482 3.059 7.030 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.088 2.974 8.212 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.278 2.247 6.513 1.00 0.00 O ATOM 0 H ASP A 38 -5.658 6.273 5.376 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.179 4.170 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.498 5.117 6.446 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.183 4.000 5.132 1.00 0.00 H new ATOM 555 N TYR A 39 -3.993 2.541 5.948 1.00 0.00 N ATOM 556 CA TYR A 39 -3.208 1.612 5.144 1.00 0.00 C ATOM 557 C TYR A 39 -3.654 0.173 5.383 1.00 0.00 C ATOM 558 O TYR A 39 -4.004 -0.202 6.502 1.00 0.00 O ATOM 559 CB TYR A 39 -1.720 1.757 5.466 1.00 0.00 C ATOM 560 CG TYR A 39 -1.423 1.808 6.947 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.668 2.959 7.685 1.00 0.00 C ATOM 562 CD2 TYR A 39 -0.897 0.705 7.609 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.397 3.011 9.039 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.625 0.747 8.963 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.877 1.902 9.673 1.00 0.00 C ATOM 566 OH TYR A 39 -0.606 1.948 11.022 1.00 0.00 O ATOM 0 H TYR A 39 -3.956 2.365 6.952 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.371 1.854 4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.178 0.921 5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.342 2.665 4.997 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.077 3.828 7.192 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.697 -0.201 7.055 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.591 3.915 9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.217 -0.120 9.462 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.245 1.084 11.313 1.00 0.00 H new ATOM 576 N GLU A 40 -3.638 -0.629 4.323 1.00 0.00 N ATOM 577 CA GLU A 40 -4.041 -2.027 4.418 1.00 0.00 C ATOM 578 C GLU A 40 -3.194 -2.901 3.497 1.00 0.00 C ATOM 579 O GLU A 40 -2.808 -2.479 2.407 1.00 0.00 O ATOM 580 CB GLU A 40 -5.521 -2.180 4.063 1.00 0.00 C ATOM 581 CG GLU A 40 -6.191 -3.363 4.741 1.00 0.00 C ATOM 582 CD GLU A 40 -6.763 -3.010 6.100 1.00 0.00 C ATOM 583 OE1 GLU A 40 -6.077 -2.304 6.868 1.00 0.00 O ATOM 584 OE2 GLU A 40 -7.898 -3.439 6.395 1.00 0.00 O ATOM 0 H GLU A 40 -3.351 -0.335 3.390 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.886 -2.354 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.048 -1.267 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.617 -2.289 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.990 -3.739 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.467 -4.170 4.854 1.00 0.00 H new ATOM 591 N GLN A 41 -2.908 -4.119 3.945 1.00 0.00 N ATOM 592 CA GLN A 41 -2.106 -5.052 3.163 1.00 0.00 C ATOM 593 C GLN A 41 -2.913 -5.625 2.003 1.00 0.00 C ATOM 594 O GLN A 41 -3.715 -6.541 2.185 1.00 0.00 O ATOM 595 CB GLN A 41 -1.592 -6.186 4.051 1.00 0.00 C ATOM 596 CG GLN A 41 -0.376 -6.901 3.484 1.00 0.00 C ATOM 597 CD GLN A 41 0.930 -6.261 3.912 1.00 0.00 C ATOM 598 OE1 GLN A 41 0.957 -5.422 4.813 1.00 0.00 O ATOM 599 NE2 GLN A 41 2.022 -6.655 3.268 1.00 0.00 N ATOM 0 H GLN A 41 -3.220 -4.483 4.845 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.255 -4.506 2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.341 -5.783 5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.392 -6.911 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.389 -7.942 3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.435 -6.903 2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.953 -7.353 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.930 -6.260 3.514 1.00 0.00 H new ATOM 608 N ARG A 42 -2.696 -5.079 0.810 1.00 0.00 N ATOM 609 CA ARG A 42 -3.405 -5.535 -0.379 1.00 0.00 C ATOM 610 C ARG A 42 -2.649 -6.672 -1.061 1.00 0.00 C ATOM 611 O ARG A 42 -3.163 -7.782 -1.189 1.00 0.00 O ATOM 612 CB ARG A 42 -3.598 -4.377 -1.359 1.00 0.00 C ATOM 613 CG ARG A 42 -4.887 -3.602 -1.142 1.00 0.00 C ATOM 614 CD ARG A 42 -6.049 -4.231 -1.895 1.00 0.00 C ATOM 615 NE ARG A 42 -7.337 -3.703 -1.455 1.00 0.00 N ATOM 616 CZ ARG A 42 -8.469 -3.869 -2.129 1.00 0.00 C ATOM 617 NH1 ARG A 42 -8.472 -4.547 -3.269 1.00 0.00 N ATOM 618 NH2 ARG A 42 -9.602 -3.359 -1.664 1.00 0.00 N ATOM 0 H ARG A 42 -2.035 -4.321 0.642 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.382 -5.906 -0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.754 -3.693 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.586 -4.768 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.118 -3.568 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.753 -2.572 -1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.929 -4.050 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.032 -5.311 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.369 -3.177 -0.581 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.604 -4.942 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.343 -4.673 -3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.605 -2.838 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.470 -3.488 -2.183 1.00 0.00 H new ATOM 632 N GLU A 43 -1.426 -6.385 -1.495 1.00 0.00 N ATOM 633 CA GLU A 43 -0.600 -7.383 -2.165 1.00 0.00 C ATOM 634 C GLU A 43 0.683 -7.643 -1.380 1.00 0.00 C ATOM 635 O GLU A 43 0.889 -7.082 -0.304 1.00 0.00 O ATOM 636 CB GLU A 43 -0.259 -6.927 -3.585 1.00 0.00 C ATOM 637 CG GLU A 43 -1.474 -6.519 -4.401 1.00 0.00 C ATOM 638 CD GLU A 43 -2.135 -7.697 -5.092 1.00 0.00 C ATOM 639 OE1 GLU A 43 -2.664 -8.580 -4.384 1.00 0.00 O ATOM 640 OE2 GLU A 43 -2.123 -7.735 -6.340 1.00 0.00 O ATOM 0 H GLU A 43 -0.985 -5.471 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.168 -8.312 -2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.432 -6.085 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.261 -7.734 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.199 -6.032 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.175 -5.785 -5.149 1.00 0.00 H new ATOM 647 N ARG A 44 1.542 -8.496 -1.928 1.00 0.00 N ATOM 648 CA ARG A 44 2.804 -8.832 -1.280 1.00 0.00 C ATOM 649 C ARG A 44 3.540 -7.571 -0.838 1.00 0.00 C ATOM 650 O ARG A 44 3.966 -7.458 0.312 1.00 0.00 O ATOM 651 CB ARG A 44 3.687 -9.646 -2.227 1.00 0.00 C ATOM 652 CG ARG A 44 4.955 -10.174 -1.575 1.00 0.00 C ATOM 653 CD ARG A 44 4.682 -11.426 -0.757 1.00 0.00 C ATOM 654 NE ARG A 44 4.644 -12.626 -1.589 1.00 0.00 N ATOM 655 CZ ARG A 44 4.872 -13.849 -1.125 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.153 -14.034 0.158 1.00 0.00 N ATOM 657 NH2 ARG A 44 4.820 -14.891 -1.945 1.00 0.00 N ATOM 0 H ARG A 44 1.387 -8.967 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 44 2.582 -9.431 -0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.111 -10.486 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.959 -9.025 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.696 -10.395 -2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.382 -9.404 -0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.454 -11.537 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.732 -11.317 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 44 4.431 -12.519 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.194 -13.235 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.328 -14.975 0.511 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.605 -14.753 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.995 -15.830 -1.588 1.00 0.00 H new ATOM 671 N PHE A 45 3.688 -6.625 -1.760 1.00 0.00 N ATOM 672 CA PHE A 45 4.374 -5.372 -1.466 1.00 0.00 C ATOM 673 C PHE A 45 3.551 -4.177 -1.937 1.00 0.00 C ATOM 674 O PHE A 45 4.094 -3.197 -2.449 1.00 0.00 O ATOM 675 CB PHE A 45 5.751 -5.352 -2.134 1.00 0.00 C ATOM 676 CG PHE A 45 6.775 -6.188 -1.421 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.522 -5.656 -0.382 1.00 0.00 C ATOM 678 CD2 PHE A 45 6.990 -7.506 -1.789 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.465 -6.423 0.275 1.00 0.00 C ATOM 680 CE2 PHE A 45 7.932 -8.279 -1.136 1.00 0.00 C ATOM 681 CZ PHE A 45 8.670 -7.736 -0.102 1.00 0.00 C ATOM 0 H PHE A 45 3.342 -6.702 -2.716 1.00 0.00 H new ATOM 0 HA PHE A 45 4.500 -5.300 -0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.654 -5.708 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.106 -4.323 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.365 -4.630 -0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.415 -7.935 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.041 -5.996 1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.091 -9.305 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.406 -8.337 0.411 1.00 0.00 H new ATOM 691 N LEU A 46 2.237 -4.266 -1.762 1.00 0.00 N ATOM 692 CA LEU A 46 1.336 -3.193 -2.169 1.00 0.00 C ATOM 693 C LEU A 46 0.307 -2.903 -1.082 1.00 0.00 C ATOM 694 O LEU A 46 -0.425 -3.796 -0.651 1.00 0.00 O ATOM 695 CB LEU A 46 0.627 -3.563 -3.473 1.00 0.00 C ATOM 696 CG LEU A 46 0.090 -2.395 -4.300 1.00 0.00 C ATOM 697 CD1 LEU A 46 1.152 -1.892 -5.266 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.166 -2.807 -5.054 1.00 0.00 C ATOM 0 H LEU A 46 1.772 -5.070 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 46 1.931 -2.294 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.321 -4.131 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.205 -4.226 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.168 -1.583 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.752 -1.061 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.024 -1.556 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.442 -2.698 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.534 -1.963 -5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.934 -3.636 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.932 -3.118 -4.343 1.00 0.00 H new ATOM 710 N LEU A 47 0.254 -1.651 -0.642 1.00 0.00 N ATOM 711 CA LEU A 47 -0.687 -1.242 0.394 1.00 0.00 C ATOM 712 C LEU A 47 -1.747 -0.302 -0.172 1.00 0.00 C ATOM 713 O LEU A 47 -1.601 0.219 -1.278 1.00 0.00 O ATOM 714 CB LEU A 47 0.055 -0.559 1.544 1.00 0.00 C ATOM 715 CG LEU A 47 1.052 -1.429 2.310 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.151 -0.571 2.918 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.341 -2.232 3.389 1.00 0.00 C ATOM 0 H LEU A 47 0.853 -0.901 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.185 -2.136 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.588 0.304 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.683 -0.179 2.251 1.00 0.00 H new ATOM 0 HG LEU A 47 1.510 -2.127 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.851 -1.207 3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.680 -0.041 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.710 0.151 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.066 -2.845 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.145 -1.552 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.409 -2.875 2.929 1.00 0.00 H new ATOM 729 N PHE A 48 -2.811 -0.089 0.593 1.00 0.00 N ATOM 730 CA PHE A 48 -3.895 0.790 0.169 1.00 0.00 C ATOM 731 C PHE A 48 -3.951 2.043 1.037 1.00 0.00 C ATOM 732 O PHE A 48 -4.513 2.028 2.132 1.00 0.00 O ATOM 733 CB PHE A 48 -5.234 0.051 0.232 1.00 0.00 C ATOM 734 CG PHE A 48 -6.372 0.821 -0.372 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.347 1.186 -1.709 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.469 1.180 0.395 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.393 1.895 -2.268 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.518 1.889 -0.158 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.481 2.246 -1.492 1.00 0.00 C ATOM 0 H PHE A 48 -2.947 -0.513 1.511 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.703 1.092 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.137 -0.904 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.468 -0.172 1.273 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.500 0.913 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.504 0.902 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.360 2.175 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.366 2.164 0.452 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.301 2.798 -1.927 1.00 0.00 H new ATOM 749 N CYS A 49 -3.364 3.126 0.540 1.00 0.00 N ATOM 750 CA CYS A 49 -3.345 4.389 1.270 1.00 0.00 C ATOM 751 C CYS A 49 -4.660 5.141 1.090 1.00 0.00 C ATOM 752 O CYS A 49 -5.215 5.187 -0.008 1.00 0.00 O ATOM 753 CB CYS A 49 -2.178 5.257 0.798 1.00 0.00 C ATOM 754 SG CYS A 49 -0.550 4.621 1.260 1.00 0.00 S ATOM 0 H CYS A 49 -2.895 3.155 -0.365 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.217 4.166 2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.225 5.351 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.295 6.259 1.210 1.00 0.00 H new ATOM 0 HG CYS A 49 0.340 5.055 0.418 1.00 0.00 H new ATOM 760 N VAL A 50 -5.154 5.727 2.176 1.00 0.00 N ATOM 761 CA VAL A 50 -6.404 6.476 2.139 1.00 0.00 C ATOM 762 C VAL A 50 -6.286 7.781 2.917 1.00 0.00 C ATOM 763 O VAL A 50 -5.860 7.791 4.073 1.00 0.00 O ATOM 764 CB VAL A 50 -7.570 5.651 2.715 1.00 0.00 C ATOM 765 CG1 VAL A 50 -8.863 6.452 2.672 1.00 0.00 C ATOM 766 CG2 VAL A 50 -7.720 4.340 1.958 1.00 0.00 C ATOM 0 H VAL A 50 -4.707 5.697 3.092 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.609 6.698 1.092 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.349 5.419 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.676 5.853 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.748 7.361 3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.093 6.716 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.548 3.770 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.919 4.548 0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.800 3.762 2.046 1.00 0.00 H new ATOM 776 N HIS A 51 -6.665 8.883 2.277 1.00 0.00 N ATOM 777 CA HIS A 51 -6.603 10.195 2.910 1.00 0.00 C ATOM 778 C HIS A 51 -7.752 11.081 2.438 1.00 0.00 C ATOM 779 O HIS A 51 -8.320 10.861 1.369 1.00 0.00 O ATOM 780 CB HIS A 51 -5.265 10.869 2.604 1.00 0.00 C ATOM 781 CG HIS A 51 -5.010 12.094 3.427 1.00 0.00 C ATOM 782 ND1 HIS A 51 -4.952 13.363 2.890 1.00 0.00 N ATOM 783 CD2 HIS A 51 -4.799 12.240 4.756 1.00 0.00 C ATOM 784 CE1 HIS A 51 -4.714 14.236 3.853 1.00 0.00 C ATOM 785 NE2 HIS A 51 -4.617 13.580 4.995 1.00 0.00 N ATOM 0 H HIS A 51 -7.018 8.893 1.320 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.694 10.056 3.987 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.460 10.154 2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.236 11.138 1.548 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.778 11.450 5.492 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.616 15.304 3.727 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.436 14.000 5.907 1.00 0.00 H new ATOM 794 N GLY A 52 -8.090 12.084 3.244 1.00 0.00 N ATOM 795 CA GLY A 52 -9.170 12.987 2.892 1.00 0.00 C ATOM 796 C GLY A 52 -8.839 14.434 3.199 1.00 0.00 C ATOM 797 O GLY A 52 -9.129 14.926 4.290 1.00 0.00 O ATOM 0 H GLY A 52 -7.635 12.287 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.392 12.886 1.830 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.071 12.700 3.435 1.00 0.00 H new ATOM 801 N ASP A 53 -8.230 15.117 2.237 1.00 0.00 N ATOM 802 CA ASP A 53 -7.858 16.516 2.410 1.00 0.00 C ATOM 803 C ASP A 53 -8.945 17.438 1.866 1.00 0.00 C ATOM 804 O ASP A 53 -8.676 18.317 1.047 1.00 0.00 O ATOM 805 CB ASP A 53 -6.530 16.804 1.710 1.00 0.00 C ATOM 806 CG ASP A 53 -6.037 18.216 1.960 1.00 0.00 C ATOM 807 OD1 ASP A 53 -6.063 18.655 3.129 1.00 0.00 O ATOM 808 OD2 ASP A 53 -5.625 18.882 0.987 1.00 0.00 O ATOM 0 H ASP A 53 -7.983 14.724 1.328 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.745 16.707 3.477 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.779 16.094 2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.647 16.648 0.638 1.00 0.00 H new ATOM 813 N GLY A 54 -10.175 17.231 2.325 1.00 0.00 N ATOM 814 CA GLY A 54 -11.284 18.050 1.872 1.00 0.00 C ATOM 815 C GLY A 54 -12.628 17.497 2.305 1.00 0.00 C ATOM 816 O GLY A 54 -12.931 17.446 3.497 1.00 0.00 O ATOM 0 H GLY A 54 -10.424 16.510 3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.168 19.061 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.258 18.123 0.785 1.00 0.00 H new ATOM 820 N HIS A 55 -13.437 17.084 1.334 1.00 0.00 N ATOM 821 CA HIS A 55 -14.756 16.533 1.621 1.00 0.00 C ATOM 822 C HIS A 55 -14.777 15.025 1.395 1.00 0.00 C ATOM 823 O HIS A 55 -13.938 14.485 0.674 1.00 0.00 O ATOM 824 CB HIS A 55 -15.814 17.206 0.746 1.00 0.00 C ATOM 825 CG HIS A 55 -16.293 18.518 1.288 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.560 19.010 1.056 1.00 0.00 N ATOM 827 CD2 HIS A 55 -15.668 19.441 2.055 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.693 20.180 1.656 1.00 0.00 C ATOM 829 NE2 HIS A 55 -16.558 20.463 2.270 1.00 0.00 N ATOM 0 H HIS A 55 -13.202 17.121 0.342 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.983 16.728 2.669 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.403 17.362 -0.251 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.665 16.534 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.656 19.384 2.429 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.578 20.799 1.646 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.373 21.305 2.816 1.00 0.00 H new ATOM 838 N ALA A 56 -15.739 14.351 2.016 1.00 0.00 N ATOM 839 CA ALA A 56 -15.868 12.905 1.882 1.00 0.00 C ATOM 840 C ALA A 56 -16.097 12.508 0.427 1.00 0.00 C ATOM 841 O ALA A 56 -15.789 11.386 0.026 1.00 0.00 O ATOM 842 CB ALA A 56 -17.004 12.393 2.755 1.00 0.00 C ATOM 0 H ALA A 56 -16.441 14.783 2.617 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.935 12.449 2.214 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.089 11.312 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.800 12.637 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.938 12.863 2.449 1.00 0.00 H new ATOM 848 N GLU A 57 -16.639 13.435 -0.357 1.00 0.00 N ATOM 849 CA GLU A 57 -16.910 13.179 -1.766 1.00 0.00 C ATOM 850 C GLU A 57 -15.638 13.316 -2.598 1.00 0.00 C ATOM 851 O GLU A 57 -15.564 12.825 -3.724 1.00 0.00 O ATOM 852 CB GLU A 57 -17.978 14.142 -2.286 1.00 0.00 C ATOM 853 CG GLU A 57 -19.341 13.943 -1.645 1.00 0.00 C ATOM 854 CD GLU A 57 -20.110 12.787 -2.256 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.128 12.677 -3.500 1.00 0.00 O ATOM 856 OE2 GLU A 57 -20.693 11.992 -1.489 1.00 0.00 O ATOM 0 H GLU A 57 -16.899 14.369 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.277 12.157 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.649 15.166 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.072 14.019 -3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.214 13.766 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.924 14.858 -1.749 1.00 0.00 H new ATOM 863 N ASN A 58 -14.639 13.988 -2.035 1.00 0.00 N ATOM 864 CA ASN A 58 -13.370 14.191 -2.724 1.00 0.00 C ATOM 865 C ASN A 58 -12.241 13.449 -2.015 1.00 0.00 C ATOM 866 O ASN A 58 -11.134 13.971 -1.871 1.00 0.00 O ATOM 867 CB ASN A 58 -13.043 15.684 -2.805 1.00 0.00 C ATOM 868 CG ASN A 58 -14.175 16.491 -3.409 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.253 16.656 -2.652 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.080 16.962 -4.543 1.00 0.00 N flip ATOM 0 H ASN A 58 -14.684 14.401 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.465 13.791 -3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.825 16.060 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.142 15.824 -3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.232 16.810 -5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.849 17.504 -4.936 1.00 0.00 H new ATOM 877 N LEU A 59 -12.527 12.229 -1.575 1.00 0.00 N ATOM 878 CA LEU A 59 -11.535 11.414 -0.882 1.00 0.00 C ATOM 879 C LEU A 59 -10.503 10.862 -1.860 1.00 0.00 C ATOM 880 O LEU A 59 -10.791 10.673 -3.042 1.00 0.00 O ATOM 881 CB LEU A 59 -12.220 10.263 -0.142 1.00 0.00 C ATOM 882 CG LEU A 59 -11.446 9.667 1.034 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.445 10.627 2.214 1.00 0.00 C ATOM 884 CD2 LEU A 59 -12.039 8.325 1.437 1.00 0.00 C ATOM 0 H LEU A 59 -13.437 11.782 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.020 12.048 -0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.184 10.616 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.423 9.467 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.414 9.507 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.890 10.186 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.974 11.565 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.471 10.819 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.476 7.915 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -13.080 8.461 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.987 7.636 0.594 1.00 0.00 H new ATOM 896 N VAL A 60 -9.299 10.605 -1.359 1.00 0.00 N ATOM 897 CA VAL A 60 -8.224 10.071 -2.187 1.00 0.00 C ATOM 898 C VAL A 60 -7.897 8.633 -1.804 1.00 0.00 C ATOM 899 O VAL A 60 -7.817 8.299 -0.622 1.00 0.00 O ATOM 900 CB VAL A 60 -6.948 10.926 -2.070 1.00 0.00 C ATOM 901 CG1 VAL A 60 -5.828 10.331 -2.910 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.230 12.363 -2.482 1.00 0.00 C ATOM 0 H VAL A 60 -9.043 10.758 -0.383 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.576 10.097 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.627 10.928 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.935 10.948 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.610 9.321 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.136 10.297 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.318 12.953 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.576 12.384 -3.515 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.998 12.783 -1.833 1.00 0.00 H new ATOM 912 N GLN A 61 -7.708 7.786 -2.810 1.00 0.00 N ATOM 913 CA GLN A 61 -7.389 6.382 -2.577 1.00 0.00 C ATOM 914 C GLN A 61 -6.333 5.893 -3.564 1.00 0.00 C ATOM 915 O GLN A 61 -6.605 5.744 -4.755 1.00 0.00 O ATOM 916 CB GLN A 61 -8.650 5.525 -2.695 1.00 0.00 C ATOM 917 CG GLN A 61 -9.456 5.449 -1.408 1.00 0.00 C ATOM 918 CD GLN A 61 -10.856 4.911 -1.627 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.117 4.206 -2.602 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.766 5.241 -0.718 1.00 0.00 N ATOM 0 H GLN A 61 -7.770 8.047 -3.794 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.988 6.289 -1.568 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.281 5.929 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.367 4.517 -2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.934 4.812 -0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.518 6.442 -0.963 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.506 5.828 0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.725 4.908 -0.812 1.00 0.00 H new ATOM 929 N TRP A 62 -5.130 5.646 -3.060 1.00 0.00 N ATOM 930 CA TRP A 62 -4.033 5.174 -3.898 1.00 0.00 C ATOM 931 C TRP A 62 -3.223 4.100 -3.180 1.00 0.00 C ATOM 932 O TRP A 62 -3.314 3.953 -1.962 1.00 0.00 O ATOM 933 CB TRP A 62 -3.124 6.340 -4.289 1.00 0.00 C ATOM 934 CG TRP A 62 -2.330 6.885 -3.141 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.989 6.735 -2.928 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.827 7.665 -2.049 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.623 7.375 -1.768 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.732 7.954 -1.211 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.090 8.149 -1.697 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.865 8.704 -0.045 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.220 8.893 -0.540 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.113 9.165 0.275 1.00 0.00 C ATOM 0 H TRP A 62 -4.889 5.764 -2.076 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.460 4.738 -4.801 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.440 6.011 -5.071 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.732 7.139 -4.713 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.316 6.193 -3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.321 7.413 -1.384 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.949 7.945 -2.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.013 8.914 0.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.192 9.271 -0.259 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.247 9.750 1.173 1.00 0.00 H new ATOM 953 N GLU A 63 -2.430 3.354 -3.942 1.00 0.00 N ATOM 954 CA GLU A 63 -1.604 2.293 -3.377 1.00 0.00 C ATOM 955 C GLU A 63 -0.127 2.675 -3.415 1.00 0.00 C ATOM 956 O GLU A 63 0.259 3.639 -4.076 1.00 0.00 O ATOM 957 CB GLU A 63 -1.824 0.984 -4.138 1.00 0.00 C ATOM 958 CG GLU A 63 -3.212 0.396 -3.949 1.00 0.00 C ATOM 959 CD GLU A 63 -4.203 0.896 -4.983 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.844 1.807 -5.758 1.00 0.00 O ATOM 961 OE2 GLU A 63 -5.338 0.376 -5.017 1.00 0.00 O ATOM 0 H GLU A 63 -2.342 3.464 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.899 2.153 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.654 1.158 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.082 0.255 -3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.153 -0.691 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.576 0.645 -2.952 1.00 0.00 H new ATOM 968 N MET A 64 0.694 1.912 -2.701 1.00 0.00 N ATOM 969 CA MET A 64 2.128 2.169 -2.654 1.00 0.00 C ATOM 970 C MET A 64 2.914 0.862 -2.613 1.00 0.00 C ATOM 971 O MET A 64 2.639 -0.012 -1.792 1.00 0.00 O ATOM 972 CB MET A 64 2.475 3.024 -1.434 1.00 0.00 C ATOM 973 CG MET A 64 2.119 4.493 -1.600 1.00 0.00 C ATOM 974 SD MET A 64 2.365 5.442 -0.087 1.00 0.00 S ATOM 975 CE MET A 64 4.125 5.763 -0.170 1.00 0.00 C ATOM 0 H MET A 64 0.391 1.111 -2.147 1.00 0.00 H new ATOM 0 HA MET A 64 2.404 2.710 -3.559 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.953 2.628 -0.563 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.543 2.938 -1.232 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.727 4.922 -2.397 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.078 4.578 -1.912 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.453 6.234 0.757 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.660 4.824 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.335 6.427 -1.008 1.00 0.00 H new ATOM 985 N GLU A 65 3.892 0.737 -3.505 1.00 0.00 N ATOM 986 CA GLU A 65 4.716 -0.465 -3.571 1.00 0.00 C ATOM 987 C GLU A 65 6.199 -0.106 -3.605 1.00 0.00 C ATOM 988 O GLU A 65 6.578 0.971 -4.066 1.00 0.00 O ATOM 989 CB GLU A 65 4.351 -1.294 -4.804 1.00 0.00 C ATOM 990 CG GLU A 65 5.497 -2.145 -5.326 1.00 0.00 C ATOM 991 CD GLU A 65 5.132 -2.904 -6.586 1.00 0.00 C ATOM 992 OE1 GLU A 65 4.345 -3.869 -6.491 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.634 -2.533 -7.668 1.00 0.00 O ATOM 0 H GLU A 65 4.133 1.452 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 65 4.524 -1.056 -2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.510 -1.943 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.017 -0.624 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.357 -1.506 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.800 -2.853 -4.555 1.00 0.00 H new ATOM 1000 N VAL A 66 7.033 -1.017 -3.114 1.00 0.00 N ATOM 1001 CA VAL A 66 8.474 -0.799 -3.089 1.00 0.00 C ATOM 1002 C VAL A 66 9.199 -1.810 -3.970 1.00 0.00 C ATOM 1003 O VAL A 66 9.037 -3.020 -3.805 1.00 0.00 O ATOM 1004 CB VAL A 66 9.031 -0.890 -1.656 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.526 -0.608 -1.644 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.292 0.069 -0.735 1.00 0.00 C ATOM 0 H VAL A 66 6.735 -1.913 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 66 8.648 0.205 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 66 8.874 -1.904 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.901 -0.677 -0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.039 -1.339 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.710 0.394 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.699 -0.009 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.415 1.089 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.232 -0.186 -0.719 1.00 0.00 H new ATOM 1016 N CYS A 67 9.999 -1.308 -4.903 1.00 0.00 N ATOM 1017 CA CYS A 67 10.750 -2.168 -5.811 1.00 0.00 C ATOM 1018 C CYS A 67 12.073 -1.519 -6.205 1.00 0.00 C ATOM 1019 O CYS A 67 12.231 -0.302 -6.116 1.00 0.00 O ATOM 1020 CB CYS A 67 9.923 -2.470 -7.062 1.00 0.00 C ATOM 1021 SG CYS A 67 10.425 -3.972 -7.934 1.00 0.00 S ATOM 0 H CYS A 67 10.145 -0.309 -5.051 1.00 0.00 H new ATOM 0 HA CYS A 67 10.965 -3.102 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.875 -2.561 -6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.996 -1.624 -7.746 1.00 0.00 H new ATOM 0 HG CYS A 67 9.666 -4.143 -8.975 1.00 0.00 H new ATOM 1027 N LYS A 68 13.022 -2.341 -6.641 1.00 0.00 N ATOM 1028 CA LYS A 68 14.332 -1.849 -7.049 1.00 0.00 C ATOM 1029 C LYS A 68 14.278 -1.258 -8.454 1.00 0.00 C ATOM 1030 O LYS A 68 13.619 -1.800 -9.342 1.00 0.00 O ATOM 1031 CB LYS A 68 15.363 -2.980 -6.999 1.00 0.00 C ATOM 1032 CG LYS A 68 15.043 -4.136 -7.931 1.00 0.00 C ATOM 1033 CD LYS A 68 16.026 -5.281 -7.757 1.00 0.00 C ATOM 1034 CE LYS A 68 17.400 -4.924 -8.305 1.00 0.00 C ATOM 1035 NZ LYS A 68 17.395 -4.821 -9.791 1.00 0.00 N ATOM 0 H LYS A 68 12.908 -3.351 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 68 14.630 -1.063 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.343 -2.578 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.429 -3.355 -5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.031 -4.491 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.066 -3.789 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.109 -5.533 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.648 -6.167 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.727 -3.977 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.122 -5.680 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.374 -4.831 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.875 -5.627 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.933 -3.934 -10.076 1.00 0.00 H new ATOM 1049 N LEU A 69 14.976 -0.145 -8.649 1.00 0.00 N ATOM 1050 CA LEU A 69 15.009 0.520 -9.948 1.00 0.00 C ATOM 1051 C LEU A 69 16.043 -0.127 -10.864 1.00 0.00 C ATOM 1052 O LEU A 69 17.175 -0.403 -10.467 1.00 0.00 O ATOM 1053 CB LEU A 69 15.323 2.007 -9.774 1.00 0.00 C ATOM 1054 CG LEU A 69 14.275 2.832 -9.027 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.918 4.044 -8.371 1.00 0.00 C ATOM 1056 CD2 LEU A 69 13.162 3.261 -9.971 1.00 0.00 C ATOM 0 H LEU A 69 15.527 0.316 -7.925 1.00 0.00 H new ATOM 0 HA LEU A 69 14.027 0.415 -10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.272 2.098 -9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.465 2.446 -10.762 1.00 0.00 H new ATOM 0 HG LEU A 69 13.840 2.210 -8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.157 4.619 -7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.678 3.714 -7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.381 4.669 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.425 3.847 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.580 3.866 -10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.682 2.378 -10.393 1.00 0.00 H new ATOM 1068 N PRO A 70 15.647 -0.373 -12.122 1.00 0.00 N ATOM 1069 CA PRO A 70 16.525 -0.987 -13.122 1.00 0.00 C ATOM 1070 C PRO A 70 17.652 -0.055 -13.555 1.00 0.00 C ATOM 1071 O PRO A 70 18.589 -0.473 -14.235 1.00 0.00 O ATOM 1072 CB PRO A 70 15.584 -1.269 -14.296 1.00 0.00 C ATOM 1073 CG PRO A 70 14.482 -0.277 -14.144 1.00 0.00 C ATOM 1074 CD PRO A 70 14.312 -0.070 -12.665 1.00 0.00 C ATOM 0 HA PRO A 70 17.024 -1.875 -12.735 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.096 -1.149 -15.251 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.205 -2.290 -14.263 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.729 0.660 -14.643 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.561 -0.645 -14.595 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.007 0.951 -12.435 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.551 -0.731 -12.252 1.00 0.00 H new ATOM 1082 N ARG A 71 17.554 1.209 -13.155 1.00 0.00 N ATOM 1083 CA ARG A 71 18.565 2.200 -13.503 1.00 0.00 C ATOM 1084 C ARG A 71 19.292 2.696 -12.256 1.00 0.00 C ATOM 1085 O ARG A 71 20.491 2.975 -12.293 1.00 0.00 O ATOM 1086 CB ARG A 71 17.923 3.380 -14.235 1.00 0.00 C ATOM 1087 CG ARG A 71 17.464 3.045 -15.645 1.00 0.00 C ATOM 1088 CD ARG A 71 17.421 4.283 -16.526 1.00 0.00 C ATOM 1089 NE ARG A 71 18.748 4.861 -16.724 1.00 0.00 N ATOM 1090 CZ ARG A 71 19.636 4.381 -17.587 1.00 0.00 C ATOM 1091 NH1 ARG A 71 19.341 3.322 -18.328 1.00 0.00 N ATOM 1092 NH2 ARG A 71 20.823 4.961 -17.710 1.00 0.00 N ATOM 0 H ARG A 71 16.785 1.570 -12.590 1.00 0.00 H new ATOM 0 HA ARG A 71 19.292 1.725 -14.162 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.068 3.733 -13.658 1.00 0.00 H new ATOM 0 HB3 ARG A 71 18.638 4.201 -14.280 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.138 2.309 -16.083 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.475 2.589 -15.608 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.990 4.025 -17.493 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.765 5.027 -16.074 1.00 0.00 H new ATOM 0 HE ARG A 71 19.006 5.677 -16.170 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.430 2.873 -18.236 1.00 0.00 H new ATOM 0 HH12 ARG A 71 20.025 2.956 -18.990 1.00 0.00 H new ATOM 0 HH21 ARG A 71 21.054 5.776 -17.142 1.00 0.00 H new ATOM 0 HH22 ARG A 71 21.505 4.592 -18.373 1.00 0.00 H new ATOM 1106 N LEU A 72 18.558 2.803 -11.154 1.00 0.00 N ATOM 1107 CA LEU A 72 19.132 3.266 -9.895 1.00 0.00 C ATOM 1108 C LEU A 72 19.416 2.093 -8.962 1.00 0.00 C ATOM 1109 O LEU A 72 18.758 1.055 -9.036 1.00 0.00 O ATOM 1110 CB LEU A 72 18.186 4.257 -9.214 1.00 0.00 C ATOM 1111 CG LEU A 72 18.154 5.667 -9.803 1.00 0.00 C ATOM 1112 CD1 LEU A 72 19.553 6.261 -9.842 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.540 5.650 -11.196 1.00 0.00 C ATOM 0 H LEU A 72 17.565 2.576 -11.106 1.00 0.00 H new ATOM 0 HA LEU A 72 20.075 3.767 -10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 72 17.177 3.847 -9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.464 4.330 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 72 17.533 6.294 -9.162 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.510 7.265 -10.264 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.956 6.310 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.197 5.635 -10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.525 6.662 -11.600 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.133 5.008 -11.847 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.521 5.267 -11.140 1.00 0.00 H new ATOM 1125 N SER A 73 20.398 2.267 -8.083 1.00 0.00 N ATOM 1126 CA SER A 73 20.770 1.222 -7.136 1.00 0.00 C ATOM 1127 C SER A 73 19.999 1.374 -5.829 1.00 0.00 C ATOM 1128 O SER A 73 20.536 1.134 -4.746 1.00 0.00 O ATOM 1129 CB SER A 73 22.274 1.264 -6.863 1.00 0.00 C ATOM 1130 OG SER A 73 23.015 1.171 -8.067 1.00 0.00 O ATOM 0 H SER A 73 20.950 3.121 -8.007 1.00 0.00 H new ATOM 0 HA SER A 73 20.515 0.258 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.527 2.190 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.549 0.444 -6.199 1.00 0.00 H new ATOM 0 HG SER A 73 23.973 1.202 -7.865 1.00 0.00 H new ATOM 1136 N LEU A 74 18.737 1.775 -5.937 1.00 0.00 N ATOM 1137 CA LEU A 74 17.890 1.960 -4.763 1.00 0.00 C ATOM 1138 C LEU A 74 16.472 1.467 -5.032 1.00 0.00 C ATOM 1139 O LEU A 74 16.154 1.035 -6.139 1.00 0.00 O ATOM 1140 CB LEU A 74 17.862 3.435 -4.358 1.00 0.00 C ATOM 1141 CG LEU A 74 19.223 4.107 -4.174 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.868 4.383 -5.523 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.079 5.394 -3.375 1.00 0.00 C ATOM 0 H LEU A 74 18.278 1.978 -6.825 1.00 0.00 H new ATOM 0 HA LEU A 74 18.310 1.373 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.306 3.988 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.306 3.524 -3.425 1.00 0.00 H new ATOM 0 HG LEU A 74 19.870 3.429 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.836 4.861 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 74 20.007 3.444 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 74 19.224 5.042 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.058 5.859 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.415 6.078 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 74 18.661 5.168 -2.394 1.00 0.00 H new ATOM 1155 N ASN A 75 15.623 1.539 -4.012 1.00 0.00 N ATOM 1156 CA ASN A 75 14.237 1.101 -4.139 1.00 0.00 C ATOM 1157 C ASN A 75 13.301 2.296 -4.291 1.00 0.00 C ATOM 1158 O ASN A 75 13.330 3.227 -3.488 1.00 0.00 O ATOM 1159 CB ASN A 75 13.829 0.272 -2.920 1.00 0.00 C ATOM 1160 CG ASN A 75 14.487 -1.095 -2.904 1.00 0.00 C ATOM 1161 OD1 ASN A 75 15.259 -1.435 -3.800 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.183 -1.885 -1.881 1.00 0.00 N ATOM 0 H ASN A 75 15.870 1.896 -3.089 1.00 0.00 H new ATOM 0 HA ASN A 75 14.158 0.483 -5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.096 0.811 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.746 0.151 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.595 -2.816 -1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.538 -1.561 -1.161 1.00 0.00 H new ATOM 1169 N GLY A 76 12.471 2.262 -5.329 1.00 0.00 N ATOM 1170 CA GLY A 76 11.538 3.348 -5.568 1.00 0.00 C ATOM 1171 C GLY A 76 10.128 3.008 -5.128 1.00 0.00 C ATOM 1172 O GLY A 76 9.825 1.853 -4.826 1.00 0.00 O ATOM 0 H GLY A 76 12.428 1.502 -6.008 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.877 4.237 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.535 3.593 -6.630 1.00 0.00 H new ATOM 1176 N VAL A 77 9.262 4.016 -5.089 1.00 0.00 N ATOM 1177 CA VAL A 77 7.876 3.818 -4.681 1.00 0.00 C ATOM 1178 C VAL A 77 6.922 4.042 -5.850 1.00 0.00 C ATOM 1179 O VAL A 77 7.163 4.892 -6.707 1.00 0.00 O ATOM 1180 CB VAL A 77 7.490 4.764 -3.529 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.060 4.503 -3.081 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.458 4.609 -2.366 1.00 0.00 C ATOM 0 H VAL A 77 9.496 4.978 -5.335 1.00 0.00 H new ATOM 0 HA VAL A 77 7.791 2.787 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 77 7.551 5.791 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.805 5.181 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.381 4.669 -3.917 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.969 3.472 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.170 5.285 -1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.431 3.581 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.468 4.850 -2.698 1.00 0.00 H new ATOM 1192 N ARG A 78 5.838 3.273 -5.877 1.00 0.00 N ATOM 1193 CA ARG A 78 4.848 3.387 -6.941 1.00 0.00 C ATOM 1194 C ARG A 78 3.582 4.073 -6.434 1.00 0.00 C ATOM 1195 O ARG A 78 3.079 3.754 -5.357 1.00 0.00 O ATOM 1196 CB ARG A 78 4.503 2.004 -7.496 1.00 0.00 C ATOM 1197 CG ARG A 78 5.680 1.301 -8.153 1.00 0.00 C ATOM 1198 CD ARG A 78 5.776 1.641 -9.633 1.00 0.00 C ATOM 1199 NE ARG A 78 7.097 1.343 -10.178 1.00 0.00 N ATOM 1200 CZ ARG A 78 7.462 0.139 -10.605 1.00 0.00 C ATOM 1201 NH1 ARG A 78 6.609 -0.874 -10.551 1.00 0.00 N ATOM 1202 NH2 ARG A 78 8.683 -0.052 -11.089 1.00 0.00 N ATOM 0 H ARG A 78 5.623 2.565 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 78 5.276 3.995 -7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.124 1.381 -6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.698 2.104 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.604 1.590 -7.651 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.575 0.223 -8.032 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.021 1.079 -10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.554 2.698 -9.777 1.00 0.00 H new ATOM 0 HE ARG A 78 7.777 2.101 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.669 -0.730 -10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.892 -1.797 -10.880 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.341 0.726 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.963 -0.976 -11.417 1.00 0.00 H new ATOM 1216 N PHE A 79 3.073 5.017 -7.218 1.00 0.00 N ATOM 1217 CA PHE A 79 1.867 5.750 -6.849 1.00 0.00 C ATOM 1218 C PHE A 79 0.767 5.544 -7.886 1.00 0.00 C ATOM 1219 O PHE A 79 0.745 6.206 -8.924 1.00 0.00 O ATOM 1220 CB PHE A 79 2.176 7.242 -6.704 1.00 0.00 C ATOM 1221 CG PHE A 79 2.953 7.576 -5.463 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.232 7.077 -5.276 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.405 8.388 -4.484 1.00 0.00 C ATOM 1224 CE1 PHE A 79 4.950 7.382 -4.135 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.118 8.697 -3.341 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.392 8.194 -3.167 1.00 0.00 C ATOM 0 H PHE A 79 3.477 5.293 -8.113 1.00 0.00 H new ATOM 0 HA PHE A 79 1.516 5.365 -5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.739 7.575 -7.576 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.240 7.800 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.673 6.442 -6.030 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.409 8.784 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.946 6.986 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.679 9.331 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.951 8.435 -2.275 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.145 4.622 -7.597 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.249 4.328 -8.503 1.00 0.00 C ATOM 1238 C LYS A 80 -2.551 4.933 -7.987 1.00 0.00 C ATOM 1239 O LYS A 80 -2.917 4.745 -6.827 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.409 2.815 -8.670 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.199 2.420 -9.906 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.818 1.041 -9.755 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.746 0.717 -10.916 1.00 0.00 C ATOM 1244 NZ LYS A 80 -4.620 -0.452 -10.617 1.00 0.00 N ATOM 0 H LYS A 80 -0.141 4.065 -6.742 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.020 4.773 -9.472 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.421 2.357 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.905 2.411 -7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.984 3.154 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.544 2.432 -10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.029 0.291 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.374 0.991 -8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.365 1.586 -11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.154 0.510 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.238 -0.641 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.030 -1.287 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.203 -0.245 -9.781 1.00 0.00 H new ATOM 1258 N ARG A 81 -3.246 5.659 -8.857 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.507 6.292 -8.489 1.00 0.00 C ATOM 1260 C ARG A 81 -5.674 5.327 -8.678 1.00 0.00 C ATOM 1261 O ARG A 81 -5.715 4.569 -9.648 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.733 7.552 -9.326 1.00 0.00 C ATOM 1263 CG ARG A 81 -6.138 8.118 -9.207 1.00 0.00 C ATOM 1264 CD ARG A 81 -6.204 9.554 -9.703 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.984 9.646 -11.144 1.00 0.00 N ATOM 1266 CZ ARG A 81 -6.939 9.452 -12.047 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -8.172 9.157 -11.660 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -6.660 9.552 -13.341 1.00 0.00 N ATOM 0 H ARG A 81 -2.957 5.823 -9.821 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.453 6.569 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.016 8.314 -9.021 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.530 7.324 -10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.830 7.501 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.462 8.076 -8.167 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.178 9.978 -9.457 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.455 10.152 -9.183 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.046 9.871 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.390 9.078 -10.667 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.903 9.009 -12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.712 9.778 -13.642 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.394 9.403 -14.034 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.619 5.361 -7.745 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.787 4.490 -7.809 1.00 0.00 C ATOM 1284 C ILE A 82 -9.064 5.298 -8.015 1.00 0.00 C ATOM 1285 O ILE A 82 -9.759 5.132 -9.017 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.929 3.644 -6.529 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.655 2.834 -6.284 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -9.136 2.725 -6.634 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -6.319 1.880 -7.408 1.00 0.00 C ATOM 0 H ILE A 82 -6.599 5.982 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.639 3.825 -8.660 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.079 4.314 -5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.820 3.520 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.766 2.268 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.223 2.134 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.038 3.323 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -9.013 2.059 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.404 1.340 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.136 1.170 -7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.175 2.442 -8.331 1.00 0.00 H new ATOM 1301 N SER A 83 -9.365 6.173 -7.062 1.00 0.00 N ATOM 1302 CA SER A 83 -10.560 7.005 -7.138 1.00 0.00 C ATOM 1303 C SER A 83 -10.212 8.476 -6.926 1.00 0.00 C ATOM 1304 O SER A 83 -9.069 8.817 -6.622 1.00 0.00 O ATOM 1305 CB SER A 83 -11.586 6.558 -6.096 1.00 0.00 C ATOM 1306 OG SER A 83 -12.259 5.382 -6.515 1.00 0.00 O ATOM 0 H SER A 83 -8.798 6.325 -6.228 1.00 0.00 H new ATOM 0 HA SER A 83 -10.990 6.890 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.087 6.376 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.310 7.355 -5.929 1.00 0.00 H new ATOM 0 HG SER A 83 -12.908 5.115 -5.831 1.00 0.00 H new ATOM 1312 N GLY A 84 -11.207 9.343 -7.089 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.987 10.766 -6.912 1.00 0.00 C ATOM 1314 C GLY A 84 -10.454 11.431 -8.166 1.00 0.00 C ATOM 1315 O GLY A 84 -10.119 10.757 -9.141 1.00 0.00 O ATOM 0 H GLY A 84 -12.161 9.085 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.924 11.242 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.284 10.923 -6.094 1.00 0.00 H new ATOM 1319 N THR A 85 -10.375 12.758 -8.143 1.00 0.00 N ATOM 1320 CA THR A 85 -9.882 13.514 -9.287 1.00 0.00 C ATOM 1321 C THR A 85 -8.369 13.684 -9.223 1.00 0.00 C ATOM 1322 O THR A 85 -7.739 13.346 -8.221 1.00 0.00 O ATOM 1323 CB THR A 85 -10.541 14.904 -9.368 1.00 0.00 C ATOM 1324 OG1 THR A 85 -10.516 15.380 -10.718 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.825 15.895 -8.463 1.00 0.00 C ATOM 0 H THR A 85 -10.646 13.331 -7.344 1.00 0.00 H new ATOM 0 HA THR A 85 -10.143 12.944 -10.179 1.00 0.00 H new ATOM 0 HB THR A 85 -11.575 14.812 -9.035 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.938 16.263 -10.761 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.308 16.869 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.870 15.545 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.783 15.982 -8.771 1.00 0.00 H new ATOM 1333 N SER A 86 -7.791 14.210 -10.298 1.00 0.00 N ATOM 1334 CA SER A 86 -6.349 14.423 -10.364 1.00 0.00 C ATOM 1335 C SER A 86 -5.894 15.400 -9.285 1.00 0.00 C ATOM 1336 O SER A 86 -5.041 15.075 -8.458 1.00 0.00 O ATOM 1337 CB SER A 86 -5.953 14.949 -11.745 1.00 0.00 C ATOM 1338 OG SER A 86 -6.897 15.893 -12.221 1.00 0.00 O ATOM 0 H SER A 86 -8.298 14.497 -11.135 1.00 0.00 H new ATOM 0 HA SER A 86 -5.857 13.466 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.967 15.411 -11.693 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.879 14.118 -12.447 1.00 0.00 H new ATOM 0 HG SER A 86 -6.620 16.215 -13.104 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.469 16.598 -9.299 1.00 0.00 N ATOM 1345 CA ILE A 87 -6.123 17.622 -8.322 1.00 0.00 C ATOM 1346 C ILE A 87 -5.888 17.011 -6.945 1.00 0.00 C ATOM 1347 O ILE A 87 -4.887 17.299 -6.289 1.00 0.00 O ATOM 1348 CB ILE A 87 -7.225 18.693 -8.215 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -7.325 19.485 -9.520 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.948 19.623 -7.043 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -8.294 18.889 -10.517 1.00 0.00 C ATOM 0 H ILE A 87 -7.176 16.883 -9.976 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.203 18.092 -8.670 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.179 18.196 -8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.632 20.506 -9.293 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.337 19.543 -9.977 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.735 20.374 -6.981 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.923 19.046 -6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.987 20.116 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.313 19.503 -11.418 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.976 17.878 -10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.292 18.856 -10.079 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.817 16.164 -6.513 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.709 15.509 -5.215 1.00 0.00 C ATOM 1365 C ALA A 88 -5.489 14.596 -5.161 1.00 0.00 C ATOM 1366 O ALA A 88 -4.568 14.820 -4.375 1.00 0.00 O ATOM 1367 CB ALA A 88 -7.975 14.720 -4.916 1.00 0.00 C ATOM 0 H ALA A 88 -7.652 15.916 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.587 16.280 -4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.881 14.236 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.830 15.396 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.122 13.962 -5.686 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.489 13.566 -6.000 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.382 12.617 -6.046 1.00 0.00 C ATOM 1375 C PHE A 89 -3.042 13.346 -6.067 1.00 0.00 C ATOM 1376 O PHE A 89 -2.057 12.876 -5.497 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.505 11.717 -7.277 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.330 10.802 -7.470 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -2.955 9.915 -6.474 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.601 10.829 -8.648 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -1.874 9.071 -6.649 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.519 9.987 -8.829 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.155 9.108 -7.827 1.00 0.00 C ATOM 0 H PHE A 89 -6.243 13.367 -6.657 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.427 12.001 -5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.411 11.118 -7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.619 12.341 -8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.514 9.882 -5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.881 11.515 -9.434 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.592 8.384 -5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.959 10.016 -9.752 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.309 8.451 -7.965 1.00 0.00 H new ATOM 1393 N LYS A 90 -3.012 14.498 -6.729 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.795 15.294 -6.826 1.00 0.00 C ATOM 1395 C LYS A 90 -1.527 16.038 -5.521 1.00 0.00 C ATOM 1396 O LYS A 90 -0.409 16.028 -5.008 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.903 16.291 -7.981 1.00 0.00 C ATOM 1398 CG LYS A 90 -1.156 17.591 -7.735 1.00 0.00 C ATOM 1399 CD LYS A 90 -1.252 18.524 -8.931 1.00 0.00 C ATOM 1400 CE LYS A 90 -1.257 19.983 -8.500 1.00 0.00 C ATOM 1401 NZ LYS A 90 -2.638 20.483 -8.251 1.00 0.00 N ATOM 0 H LYS A 90 -3.818 14.901 -7.207 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.962 14.617 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.517 15.826 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.955 16.514 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.564 18.085 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.109 17.376 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.412 18.345 -9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.161 18.306 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.661 20.096 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.784 20.591 -9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.599 21.481 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.200 20.399 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.081 19.919 -7.497 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.561 16.683 -4.990 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.436 17.432 -3.745 1.00 0.00 C ATOM 1417 C ASN A 91 -1.809 16.571 -2.653 1.00 0.00 C ATOM 1418 O ASN A 91 -0.672 16.804 -2.241 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.808 17.934 -3.288 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.130 19.312 -3.835 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.232 20.106 -4.115 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.416 19.601 -3.989 1.00 0.00 N ATOM 0 H ASN A 91 -3.494 16.702 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.785 18.287 -3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.575 17.230 -3.610 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.837 17.962 -2.199 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.694 20.513 -4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.127 18.912 -3.744 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.556 15.575 -2.189 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.073 14.679 -1.146 1.00 0.00 C ATOM 1431 C ILE A 92 -0.750 14.034 -1.546 1.00 0.00 C ATOM 1432 O ILE A 92 0.208 14.029 -0.774 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.097 13.571 -0.836 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.544 12.618 0.225 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.456 12.811 -2.104 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.298 13.279 1.563 1.00 0.00 C ATOM 0 H ILE A 92 -3.499 15.368 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.925 15.286 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.003 14.033 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.243 11.793 0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.610 12.188 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.180 12.031 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.887 13.499 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.558 12.357 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.906 12.543 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.576 14.086 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.234 13.684 1.946 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.705 13.492 -2.758 1.00 0.00 N ATOM 1449 CA ALA A 93 0.502 12.848 -3.262 1.00 0.00 C ATOM 1450 C ALA A 93 1.754 13.557 -2.759 1.00 0.00 C ATOM 1451 O ALA A 93 2.686 12.919 -2.269 1.00 0.00 O ATOM 1452 CB ALA A 93 0.487 12.816 -4.784 1.00 0.00 C ATOM 0 H ALA A 93 -1.490 13.486 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 93 0.521 11.824 -2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.394 12.332 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.384 12.258 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.440 13.835 -5.169 1.00 0.00 H new ATOM 1458 N SER A 94 1.770 14.880 -2.883 1.00 0.00 N ATOM 1459 CA SER A 94 2.910 15.676 -2.444 1.00 0.00 C ATOM 1460 C SER A 94 3.189 15.454 -0.961 1.00 0.00 C ATOM 1461 O SER A 94 4.321 15.179 -0.564 1.00 0.00 O ATOM 1462 CB SER A 94 2.656 17.161 -2.711 1.00 0.00 C ATOM 1463 OG SER A 94 3.873 17.885 -2.767 1.00 0.00 O ATOM 0 H SER A 94 1.006 15.424 -3.284 1.00 0.00 H new ATOM 0 HA SER A 94 3.784 15.357 -3.012 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.116 17.278 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.021 17.571 -1.926 1.00 0.00 H new ATOM 0 HG SER A 94 3.683 18.831 -2.940 1.00 0.00 H new ATOM 1469 N LYS A 95 2.147 15.576 -0.145 1.00 0.00 N ATOM 1470 CA LYS A 95 2.276 15.388 1.295 1.00 0.00 C ATOM 1471 C LYS A 95 3.089 14.136 1.610 1.00 0.00 C ATOM 1472 O LYS A 95 3.969 14.157 2.471 1.00 0.00 O ATOM 1473 CB LYS A 95 0.894 15.288 1.943 1.00 0.00 C ATOM 1474 CG LYS A 95 0.043 16.532 1.758 1.00 0.00 C ATOM 1475 CD LYS A 95 0.603 17.712 2.535 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.231 18.965 2.323 1.00 0.00 C ATOM 1477 NZ LYS A 95 -1.584 18.840 2.933 1.00 0.00 N ATOM 0 H LYS A 95 1.203 15.804 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 95 2.800 16.252 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.366 14.432 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.015 15.096 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.009 16.784 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.976 16.329 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.632 17.469 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.630 17.900 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.285 19.822 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.331 19.159 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.072 19.757 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.135 18.128 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.491 18.547 3.927 1.00 0.00 H new ATOM 1491 N ILE A 96 2.790 13.050 0.906 1.00 0.00 N ATOM 1492 CA ILE A 96 3.495 11.790 1.109 1.00 0.00 C ATOM 1493 C ILE A 96 4.936 11.882 0.620 1.00 0.00 C ATOM 1494 O ILE A 96 5.874 11.587 1.360 1.00 0.00 O ATOM 1495 CB ILE A 96 2.791 10.628 0.385 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.297 10.624 0.712 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.427 9.301 0.771 1.00 0.00 C ATOM 1498 CD1 ILE A 96 0.992 10.223 2.138 1.00 0.00 C ATOM 0 H ILE A 96 2.064 13.017 0.190 1.00 0.00 H new ATOM 0 HA ILE A 96 3.490 11.594 2.181 1.00 0.00 H new ATOM 0 HB ILE A 96 2.907 10.766 -0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.890 11.618 0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.787 9.940 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.919 8.489 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.480 9.307 0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.338 9.154 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.086 10.242 2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.368 9.217 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.474 10.921 2.823 1.00 0.00 H new ATOM 1510 N ALA A 97 5.105 12.295 -0.632 1.00 0.00 N ATOM 1511 CA ALA A 97 6.432 12.429 -1.220 1.00 0.00 C ATOM 1512 C ALA A 97 7.367 13.200 -0.294 1.00 0.00 C ATOM 1513 O ALA A 97 8.555 12.895 -0.203 1.00 0.00 O ATOM 1514 CB ALA A 97 6.342 13.117 -2.575 1.00 0.00 C ATOM 0 H ALA A 97 4.339 12.543 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 97 6.844 11.429 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.340 13.210 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.715 12.526 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.906 14.108 -2.451 1.00 0.00 H new ATOM 1520 N ASN A 98 6.822 14.201 0.389 1.00 0.00 N ATOM 1521 CA ASN A 98 7.608 15.017 1.307 1.00 0.00 C ATOM 1522 C ASN A 98 7.687 14.364 2.684 1.00 0.00 C ATOM 1523 O ASN A 98 8.741 13.875 3.090 1.00 0.00 O ATOM 1524 CB ASN A 98 7.001 16.416 1.428 1.00 0.00 C ATOM 1525 CG ASN A 98 8.037 17.469 1.770 1.00 0.00 C ATOM 1526 OD1 ASN A 98 7.933 18.150 2.790 1.00 0.00 O ATOM 1527 ND2 ASN A 98 9.044 17.608 0.915 1.00 0.00 N ATOM 0 H ASN A 98 5.839 14.467 0.324 1.00 0.00 H new ATOM 0 HA ASN A 98 8.618 15.100 0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.515 16.680 0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.228 16.408 2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.771 18.301 1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.090 17.022 0.082 1.00 0.00 H new ATOM 1534 N GLU A 99 6.565 14.361 3.396 1.00 0.00 N ATOM 1535 CA GLU A 99 6.507 13.768 4.728 1.00 0.00 C ATOM 1536 C GLU A 99 7.380 12.518 4.805 1.00 0.00 C ATOM 1537 O GLU A 99 8.141 12.337 5.756 1.00 0.00 O ATOM 1538 CB GLU A 99 5.063 13.418 5.093 1.00 0.00 C ATOM 1539 CG GLU A 99 4.216 14.627 5.453 1.00 0.00 C ATOM 1540 CD GLU A 99 4.929 15.580 6.392 1.00 0.00 C ATOM 1541 OE1 GLU A 99 5.648 15.097 7.293 1.00 0.00 O ATOM 1542 OE2 GLU A 99 4.769 16.807 6.228 1.00 0.00 O ATOM 0 H GLU A 99 5.684 14.762 3.074 1.00 0.00 H new ATOM 0 HA GLU A 99 6.886 14.500 5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.601 12.898 4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.068 12.725 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 99 3.942 15.158 4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.289 14.291 5.917 1.00 0.00 H new ATOM 1549 N LEU A 100 7.264 11.660 3.798 1.00 0.00 N ATOM 1550 CA LEU A 100 8.041 10.426 3.751 1.00 0.00 C ATOM 1551 C LEU A 100 9.452 10.651 4.284 1.00 0.00 C ATOM 1552 O LEU A 100 10.258 11.347 3.665 1.00 0.00 O ATOM 1553 CB LEU A 100 8.103 9.894 2.318 1.00 0.00 C ATOM 1554 CG LEU A 100 6.972 8.953 1.902 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.133 8.535 0.448 1.00 0.00 C ATOM 1556 CD2 LEU A 100 6.934 7.731 2.808 1.00 0.00 C ATOM 0 H LEU A 100 6.640 11.796 3.003 1.00 0.00 H new ATOM 0 HA LEU A 100 7.547 9.689 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.111 10.744 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.050 9.371 2.186 1.00 0.00 H new ATOM 0 HG LEU A 100 6.026 9.486 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.319 7.865 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.110 9.419 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.086 8.021 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.123 7.073 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.882 7.197 2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.770 8.047 3.838 1.00 0.00 H new ATOM 1568 N LYS A 101 9.746 10.056 5.435 1.00 0.00 N ATOM 1569 CA LYS A 101 11.061 10.188 6.051 1.00 0.00 C ATOM 1570 C LYS A 101 12.031 9.154 5.488 1.00 0.00 C ATOM 1571 O LYS A 101 12.652 8.398 6.237 1.00 0.00 O ATOM 1572 CB LYS A 101 10.954 10.029 7.569 1.00 0.00 C ATOM 1573 CG LYS A 101 12.080 10.705 8.332 1.00 0.00 C ATOM 1574 CD LYS A 101 11.781 12.173 8.584 1.00 0.00 C ATOM 1575 CE LYS A 101 12.867 12.827 9.425 1.00 0.00 C ATOM 1576 NZ LYS A 101 12.573 14.262 9.692 1.00 0.00 N ATOM 0 H LYS A 101 9.091 9.477 5.960 1.00 0.00 H new ATOM 0 HA LYS A 101 11.444 11.183 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.002 10.441 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.946 8.967 7.815 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.233 10.196 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.009 10.614 7.769 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.692 12.696 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.820 12.268 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.964 12.294 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.825 12.742 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.336 14.671 10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.505 14.776 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.672 14.342 10.205 1.00 0.00 H new ATOM 1590 N LEU A 102 12.159 9.127 4.166 1.00 0.00 N ATOM 1591 CA LEU A 102 13.056 8.187 3.503 1.00 0.00 C ATOM 1592 C LEU A 102 14.193 8.922 2.801 1.00 0.00 C ATOM 1593 O LEU A 102 14.848 8.371 1.916 1.00 0.00 O ATOM 1594 CB LEU A 102 12.281 7.339 2.492 1.00 0.00 C ATOM 1595 CG LEU A 102 10.838 6.998 2.868 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.006 6.750 1.620 1.00 0.00 C ATOM 1597 CD2 LEU A 102 10.799 5.786 3.788 1.00 0.00 C ATOM 0 H LEU A 102 11.653 9.745 3.532 1.00 0.00 H new ATOM 0 HA LEU A 102 13.485 7.534 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.272 7.865 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.825 6.407 2.337 1.00 0.00 H new ATOM 0 HG LEU A 102 10.411 7.847 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.983 6.509 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.007 7.645 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.431 5.918 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.765 5.558 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.244 4.930 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.360 6.001 4.697 1.00 0.00 H new