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 13:sc= -1.58! USER MOD Set 1.2: A 51 HIS :FLIP no HE2:sc= -9.03! C(o=-13!,f=-11!) USER MOD Set 2.1: A 17 SER OG : rot 90:sc= -1.22 USER MOD Set 2.2: A 24 MET CE :methyl 144:sc= -1.96 (180deg=-4.59!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 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 -167:sc= -0.28 (180deg=-0.975) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -167:sc= -0.165 (180deg=-0.353) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.63 K(o=-2.6,f=-3.7!) USER MOD Single : A 49 CYS SG : rot 123:sc= -3.29 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.527 F(o=-3.6!,f=-0.53) USER MOD Single : A 61 GLN : amide:sc=-0.00837 K(o=-0.0084,f=-0.99) USER MOD Single : A 64 MET CE :methyl -159:sc= -0.0875 (180deg=-0.539) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.276 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.132 USER MOD Single : A 75 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.3!) 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= -0.389 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 94 SER OG : rot -40:sc= 0.0399 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -99:sc= -0.344 (180deg=-1.91!) USER MOD ----------------------------------------------------------------- ATOM 198 N THR A 15 11.308 10.420 -6.561 1.00 0.00 N ATOM 199 CA THR A 15 11.801 10.148 -5.217 1.00 0.00 C ATOM 200 C THR A 15 12.562 8.828 -5.168 1.00 0.00 C ATOM 201 O THR A 15 12.330 7.934 -5.982 1.00 0.00 O ATOM 202 CB THR A 15 10.648 10.101 -4.196 1.00 0.00 C ATOM 203 OG1 THR A 15 10.196 11.429 -3.907 1.00 0.00 O ATOM 204 CG2 THR A 15 11.093 9.420 -2.910 1.00 0.00 C ATOM 0 HA THR A 15 12.476 10.963 -4.956 1.00 0.00 H new ATOM 0 HB THR A 15 9.830 9.526 -4.629 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.462 11.391 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.263 9.398 -2.204 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.410 8.400 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.925 9.973 -2.475 1.00 0.00 H new ATOM 212 N THR A 16 13.473 8.711 -4.206 1.00 0.00 N ATOM 213 CA THR A 16 14.269 7.500 -4.050 1.00 0.00 C ATOM 214 C THR A 16 14.612 7.252 -2.586 1.00 0.00 C ATOM 215 O THR A 16 14.623 8.178 -1.776 1.00 0.00 O ATOM 216 CB THR A 16 15.573 7.577 -4.866 1.00 0.00 C ATOM 217 OG1 THR A 16 16.044 8.929 -4.911 1.00 0.00 O ATOM 218 CG2 THR A 16 15.358 7.062 -6.281 1.00 0.00 C ATOM 0 H THR A 16 13.677 9.441 -3.523 1.00 0.00 H new ATOM 0 HA THR A 16 13.664 6.673 -4.423 1.00 0.00 H new ATOM 0 HB THR A 16 16.318 6.949 -4.378 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.874 8.969 -5.430 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.293 7.126 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.028 6.024 -6.244 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.598 7.666 -6.777 1.00 0.00 H new ATOM 226 N SER A 17 14.893 5.996 -2.253 1.00 0.00 N ATOM 227 CA SER A 17 15.234 5.626 -0.885 1.00 0.00 C ATOM 228 C SER A 17 16.477 4.742 -0.855 1.00 0.00 C ATOM 229 O SER A 17 16.462 3.615 -1.350 1.00 0.00 O ATOM 230 CB SER A 17 14.061 4.900 -0.223 1.00 0.00 C ATOM 231 OG SER A 17 12.833 5.542 -0.517 1.00 0.00 O ATOM 0 H SER A 17 14.891 5.218 -2.912 1.00 0.00 H new ATOM 0 HA SER A 17 15.446 6.540 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.027 3.867 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.210 4.870 0.856 1.00 0.00 H new ATOM 0 HG SER A 17 12.454 5.163 -1.337 1.00 0.00 H new ATOM 237 N SER A 18 17.552 5.261 -0.271 1.00 0.00 N ATOM 238 CA SER A 18 18.805 4.522 -0.179 1.00 0.00 C ATOM 239 C SER A 18 18.775 3.546 0.993 1.00 0.00 C ATOM 240 O SER A 18 19.737 3.442 1.753 1.00 0.00 O ATOM 241 CB SER A 18 19.981 5.487 -0.023 1.00 0.00 C ATOM 242 OG SER A 18 19.836 6.610 -0.876 1.00 0.00 O ATOM 0 H SER A 18 17.580 6.191 0.146 1.00 0.00 H new ATOM 0 HA SER A 18 18.931 3.953 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.048 5.819 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.913 4.970 -0.252 1.00 0.00 H new ATOM 0 HG SER A 18 20.600 7.213 -0.756 1.00 0.00 H new ATOM 248 N MET A 19 17.663 2.832 1.133 1.00 0.00 N ATOM 249 CA MET A 19 17.507 1.863 2.212 1.00 0.00 C ATOM 250 C MET A 19 16.682 0.665 1.752 1.00 0.00 C ATOM 251 O MET A 19 15.766 0.805 0.941 1.00 0.00 O ATOM 252 CB MET A 19 16.843 2.520 3.424 1.00 0.00 C ATOM 253 CG MET A 19 17.552 3.778 3.898 1.00 0.00 C ATOM 254 SD MET A 19 16.879 4.412 5.446 1.00 0.00 S ATOM 255 CE MET A 19 15.137 4.057 5.229 1.00 0.00 C ATOM 0 H MET A 19 16.857 2.906 0.513 1.00 0.00 H new ATOM 0 HA MET A 19 18.498 1.511 2.497 1.00 0.00 H new ATOM 0 HB2 MET A 19 15.811 2.767 3.173 1.00 0.00 H new ATOM 0 HB3 MET A 19 16.809 1.802 4.243 1.00 0.00 H new ATOM 0 HG2 MET A 19 18.613 3.566 4.028 1.00 0.00 H new ATOM 0 HG3 MET A 19 17.472 4.547 3.130 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.560 4.589 5.986 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.820 4.381 4.237 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.969 2.985 5.332 1.00 0.00 H new ATOM 265 N ASP A 20 17.012 -0.510 2.274 1.00 0.00 N ATOM 266 CA ASP A 20 16.301 -1.733 1.917 1.00 0.00 C ATOM 267 C ASP A 20 14.798 -1.485 1.844 1.00 0.00 C ATOM 268 O ASP A 20 14.245 -0.653 2.563 1.00 0.00 O ATOM 269 CB ASP A 20 16.600 -2.836 2.933 1.00 0.00 C ATOM 270 CG ASP A 20 18.065 -3.224 2.953 1.00 0.00 C ATOM 271 OD1 ASP A 20 18.694 -3.223 1.874 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.583 -3.528 4.047 1.00 0.00 O ATOM 0 H ASP A 20 17.768 -0.643 2.946 1.00 0.00 H new ATOM 0 HA ASP A 20 16.647 -2.052 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.302 -2.501 3.927 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.998 -3.714 2.699 1.00 0.00 H new ATOM 277 N PRO A 21 14.119 -2.222 0.952 1.00 0.00 N ATOM 278 CA PRO A 21 12.671 -2.100 0.763 1.00 0.00 C ATOM 279 C PRO A 21 11.883 -2.636 1.954 1.00 0.00 C ATOM 280 O PRO A 21 10.723 -2.276 2.156 1.00 0.00 O ATOM 281 CB PRO A 21 12.403 -2.950 -0.482 1.00 0.00 C ATOM 282 CG PRO A 21 13.516 -3.939 -0.512 1.00 0.00 C ATOM 283 CD PRO A 21 14.713 -3.233 0.062 1.00 0.00 C ATOM 0 HA PRO A 21 12.360 -1.060 0.661 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.434 -3.446 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.392 -2.338 -1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.267 -4.824 0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.712 -4.275 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.360 -3.919 0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.321 -2.774 -0.718 1.00 0.00 H new ATOM 291 N SER A 22 12.520 -3.498 2.739 1.00 0.00 N ATOM 292 CA SER A 22 11.878 -4.087 3.908 1.00 0.00 C ATOM 293 C SER A 22 11.676 -3.041 5.001 1.00 0.00 C ATOM 294 O SER A 22 10.788 -3.172 5.844 1.00 0.00 O ATOM 295 CB SER A 22 12.715 -5.248 4.447 1.00 0.00 C ATOM 296 OG SER A 22 12.723 -6.336 3.538 1.00 0.00 O ATOM 0 H SER A 22 13.481 -3.804 2.587 1.00 0.00 H new ATOM 0 HA SER A 22 10.902 -4.464 3.603 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.736 -4.912 4.626 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.314 -5.575 5.407 1.00 0.00 H new ATOM 0 HG SER A 22 13.266 -7.065 3.905 1.00 0.00 H new ATOM 302 N ASP A 23 12.507 -2.005 4.980 1.00 0.00 N ATOM 303 CA ASP A 23 12.420 -0.935 5.967 1.00 0.00 C ATOM 304 C ASP A 23 11.425 0.133 5.525 1.00 0.00 C ATOM 305 O ASP A 23 10.698 0.695 6.345 1.00 0.00 O ATOM 306 CB ASP A 23 13.796 -0.306 6.191 1.00 0.00 C ATOM 307 CG ASP A 23 14.584 -1.009 7.279 1.00 0.00 C ATOM 308 OD1 ASP A 23 13.953 -1.585 8.190 1.00 0.00 O ATOM 309 OD2 ASP A 23 15.831 -0.983 7.220 1.00 0.00 O ATOM 0 H ASP A 23 13.249 -1.883 4.290 1.00 0.00 H new ATOM 0 HA ASP A 23 12.069 -1.367 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.362 -0.336 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.673 0.744 6.456 1.00 0.00 H new ATOM 314 N MET A 24 11.399 0.409 4.226 1.00 0.00 N ATOM 315 CA MET A 24 10.493 1.411 3.676 1.00 0.00 C ATOM 316 C MET A 24 9.050 1.115 4.073 1.00 0.00 C ATOM 317 O MET A 24 8.271 2.029 4.341 1.00 0.00 O ATOM 318 CB MET A 24 10.614 1.457 2.151 1.00 0.00 C ATOM 319 CG MET A 24 11.700 2.399 1.657 1.00 0.00 C ATOM 320 SD MET A 24 12.050 2.194 -0.100 1.00 0.00 S ATOM 321 CE MET A 24 10.639 3.025 -0.826 1.00 0.00 C ATOM 0 H MET A 24 11.994 -0.047 3.534 1.00 0.00 H new ATOM 0 HA MET A 24 10.773 2.382 4.086 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.819 0.453 1.780 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.658 1.764 1.728 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.396 3.429 1.845 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.612 2.227 2.228 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.949 3.544 -1.733 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.872 2.291 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.236 3.747 -0.115 1.00 0.00 H new ATOM 331 N MET A 25 8.702 -0.167 4.109 1.00 0.00 N ATOM 332 CA MET A 25 7.352 -0.582 4.475 1.00 0.00 C ATOM 333 C MET A 25 6.976 -0.051 5.855 1.00 0.00 C ATOM 334 O MET A 25 5.877 0.468 6.052 1.00 0.00 O ATOM 335 CB MET A 25 7.242 -2.108 4.456 1.00 0.00 C ATOM 336 CG MET A 25 7.075 -2.687 3.060 1.00 0.00 C ATOM 337 SD MET A 25 5.540 -2.165 2.271 1.00 0.00 S ATOM 338 CE MET A 25 4.397 -3.383 2.916 1.00 0.00 C ATOM 0 H MET A 25 9.335 -0.936 3.890 1.00 0.00 H new ATOM 0 HA MET A 25 6.659 -0.166 3.743 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.135 -2.534 4.913 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.394 -2.411 5.070 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.919 -2.382 2.441 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.098 -3.775 3.117 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.465 -3.342 2.352 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.834 -4.377 2.823 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.195 -3.172 3.966 1.00 0.00 H new ATOM 348 N ARG A 26 7.894 -0.184 6.806 1.00 0.00 N ATOM 349 CA ARG A 26 7.657 0.281 8.168 1.00 0.00 C ATOM 350 C ARG A 26 7.426 1.789 8.195 1.00 0.00 C ATOM 351 O ARG A 26 6.386 2.258 8.654 1.00 0.00 O ATOM 352 CB ARG A 26 8.841 -0.081 9.066 1.00 0.00 C ATOM 353 CG ARG A 26 8.541 0.050 10.551 1.00 0.00 C ATOM 354 CD ARG A 26 9.600 -0.642 11.396 1.00 0.00 C ATOM 355 NE ARG A 26 9.544 -0.223 12.794 1.00 0.00 N ATOM 356 CZ ARG A 26 10.317 -0.734 13.745 1.00 0.00 C ATOM 357 NH1 ARG A 26 11.200 -1.677 13.451 1.00 0.00 N ATOM 358 NH2 ARG A 26 10.207 -0.301 14.995 1.00 0.00 N ATOM 0 H ARG A 26 8.809 -0.610 6.659 1.00 0.00 H new ATOM 0 HA ARG A 26 6.761 -0.213 8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.147 -1.106 8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.685 0.561 8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.490 1.105 10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.563 -0.382 10.765 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.464 -1.722 11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.588 -0.422 10.991 1.00 0.00 H new ATOM 0 HE ARG A 26 8.875 0.502 13.054 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.288 -2.013 12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.792 -2.067 14.184 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.528 0.425 15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.801 -0.694 15.725 1.00 0.00 H new ATOM 372 N GLU A 27 8.404 2.541 7.699 1.00 0.00 N ATOM 373 CA GLU A 27 8.307 3.995 7.669 1.00 0.00 C ATOM 374 C GLU A 27 7.033 4.441 6.957 1.00 0.00 C ATOM 375 O GLU A 27 6.320 5.325 7.434 1.00 0.00 O ATOM 376 CB GLU A 27 9.530 4.596 6.971 1.00 0.00 C ATOM 377 CG GLU A 27 9.475 6.108 6.841 1.00 0.00 C ATOM 378 CD GLU A 27 9.774 6.818 8.147 1.00 0.00 C ATOM 379 OE1 GLU A 27 10.749 6.428 8.823 1.00 0.00 O ATOM 380 OE2 GLU A 27 9.034 7.762 8.493 1.00 0.00 O ATOM 0 H GLU A 27 9.271 2.167 7.313 1.00 0.00 H new ATOM 0 HA GLU A 27 8.272 4.352 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.427 4.320 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.623 4.158 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.191 6.430 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.486 6.403 6.490 1.00 0.00 H new ATOM 387 N ILE A 28 6.753 3.822 5.815 1.00 0.00 N ATOM 388 CA ILE A 28 5.565 4.154 5.038 1.00 0.00 C ATOM 389 C ILE A 28 4.318 4.157 5.916 1.00 0.00 C ATOM 390 O ILE A 28 3.497 5.071 5.843 1.00 0.00 O ATOM 391 CB ILE A 28 5.359 3.166 3.875 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.371 3.439 2.760 1.00 0.00 C ATOM 393 CG2 ILE A 28 3.937 3.265 3.342 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.650 2.234 1.889 1.00 0.00 C ATOM 0 H ILE A 28 7.332 3.088 5.407 1.00 0.00 H new ATOM 0 HA ILE A 28 5.722 5.153 4.631 1.00 0.00 H new ATOM 0 HB ILE A 28 5.518 2.153 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.000 4.251 2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.306 3.780 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.807 2.561 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.232 3.027 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.752 4.278 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.376 2.501 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.051 1.427 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.725 1.905 1.416 1.00 0.00 H new ATOM 406 N ARG A 29 4.183 3.128 6.746 1.00 0.00 N ATOM 407 CA ARG A 29 3.036 3.011 7.638 1.00 0.00 C ATOM 408 C ARG A 29 3.121 4.032 8.769 1.00 0.00 C ATOM 409 O ARG A 29 2.102 4.529 9.250 1.00 0.00 O ATOM 410 CB ARG A 29 2.955 1.598 8.218 1.00 0.00 C ATOM 411 CG ARG A 29 2.500 0.552 7.212 1.00 0.00 C ATOM 412 CD ARG A 29 2.505 -0.843 7.818 1.00 0.00 C ATOM 413 NE ARG A 29 1.730 -1.789 7.021 1.00 0.00 N ATOM 414 CZ ARG A 29 1.592 -3.073 7.332 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.174 -3.561 8.419 1.00 0.00 N ATOM 416 NH2 ARG A 29 0.869 -3.871 6.556 1.00 0.00 N ATOM 0 H ARG A 29 4.854 2.363 6.819 1.00 0.00 H new ATOM 0 HA ARG A 29 2.135 3.210 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.934 1.316 8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.267 1.600 9.064 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.497 0.794 6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.155 0.574 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.532 -1.197 7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.097 -0.801 8.828 1.00 0.00 H new ATOM 0 HE ARG A 29 1.269 -1.445 6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.729 -2.950 9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.067 -4.547 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.419 -3.498 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.764 -4.857 6.796 1.00 0.00 H new ATOM 430 N LYS A 30 4.343 4.340 9.190 1.00 0.00 N ATOM 431 CA LYS A 30 4.563 5.302 10.264 1.00 0.00 C ATOM 432 C LYS A 30 4.134 6.702 9.836 1.00 0.00 C ATOM 433 O LYS A 30 3.435 7.400 10.571 1.00 0.00 O ATOM 434 CB LYS A 30 6.037 5.311 10.674 1.00 0.00 C ATOM 435 CG LYS A 30 6.383 6.399 11.676 1.00 0.00 C ATOM 436 CD LYS A 30 7.886 6.547 11.843 1.00 0.00 C ATOM 437 CE LYS A 30 8.474 5.393 12.640 1.00 0.00 C ATOM 438 NZ LYS A 30 8.441 5.657 14.105 1.00 0.00 N ATOM 0 H LYS A 30 5.197 3.937 8.804 1.00 0.00 H new ATOM 0 HA LYS A 30 3.957 5.001 11.118 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.293 4.341 11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.652 5.440 9.784 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.958 7.347 11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.930 6.165 12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.360 6.592 10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.106 7.488 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.918 4.481 12.423 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.503 5.221 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.850 4.847 14.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.993 6.513 14.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.457 5.796 14.411 1.00 0.00 H new ATOM 452 N VAL A 31 4.557 7.107 8.642 1.00 0.00 N ATOM 453 CA VAL A 31 4.214 8.422 8.116 1.00 0.00 C ATOM 454 C VAL A 31 2.713 8.546 7.879 1.00 0.00 C ATOM 455 O VAL A 31 2.055 9.423 8.440 1.00 0.00 O ATOM 456 CB VAL A 31 4.957 8.710 6.797 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.295 9.858 6.051 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.423 9.014 7.067 1.00 0.00 C ATOM 0 H VAL A 31 5.138 6.543 8.022 1.00 0.00 H new ATOM 0 HA VAL A 31 4.521 9.152 8.865 1.00 0.00 H new ATOM 0 HB VAL A 31 4.904 7.821 6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.833 10.047 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.261 9.597 5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.315 10.754 6.671 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.932 9.215 6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.500 9.887 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.888 8.158 7.556 1.00 0.00 H new ATOM 468 N LEU A 32 2.177 7.662 7.045 1.00 0.00 N ATOM 469 CA LEU A 32 0.752 7.671 6.733 1.00 0.00 C ATOM 470 C LEU A 32 -0.080 7.875 7.995 1.00 0.00 C ATOM 471 O LEU A 32 -0.901 8.788 8.068 1.00 0.00 O ATOM 472 CB LEU A 32 0.351 6.362 6.050 1.00 0.00 C ATOM 473 CG LEU A 32 0.835 6.180 4.611 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.933 4.703 4.263 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.094 6.897 3.642 1.00 0.00 C ATOM 0 H LEU A 32 2.707 6.930 6.573 1.00 0.00 H new ATOM 0 HA LEU A 32 0.559 8.502 6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.730 5.533 6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.737 6.290 6.058 1.00 0.00 H new ATOM 0 HG LEU A 32 1.829 6.619 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.279 4.594 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.638 4.216 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.048 4.239 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.265 6.757 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.100 6.487 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.114 7.961 3.877 1.00 0.00 H new ATOM 487 N GLY A 33 0.140 7.019 8.988 1.00 0.00 N ATOM 488 CA GLY A 33 -0.596 7.124 10.234 1.00 0.00 C ATOM 489 C GLY A 33 -0.622 8.539 10.775 1.00 0.00 C ATOM 490 O GLY A 33 -1.615 8.969 11.361 1.00 0.00 O ATOM 0 H GLY A 33 0.815 6.255 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.618 6.779 10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.146 6.463 10.975 1.00 0.00 H new ATOM 494 N ALA A 34 0.473 9.266 10.579 1.00 0.00 N ATOM 495 CA ALA A 34 0.572 10.642 11.050 1.00 0.00 C ATOM 496 C ALA A 34 -0.378 11.555 10.282 1.00 0.00 C ATOM 497 O ALA A 34 -1.038 12.413 10.867 1.00 0.00 O ATOM 498 CB ALA A 34 2.003 11.141 10.926 1.00 0.00 C ATOM 0 H ALA A 34 1.305 8.925 10.097 1.00 0.00 H new ATOM 0 HA ALA A 34 0.282 10.662 12.101 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.062 12.170 11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.661 10.512 11.526 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.314 11.100 9.882 1.00 0.00 H new ATOM 504 N ASN A 35 -0.440 11.365 8.968 1.00 0.00 N ATOM 505 CA ASN A 35 -1.308 12.173 8.119 1.00 0.00 C ATOM 506 C ASN A 35 -2.724 11.605 8.091 1.00 0.00 C ATOM 507 O ASN A 35 -3.394 11.633 7.060 1.00 0.00 O ATOM 508 CB ASN A 35 -0.746 12.242 6.698 1.00 0.00 C ATOM 509 CG ASN A 35 0.703 12.688 6.671 1.00 0.00 C ATOM 510 OD1 ASN A 35 1.017 13.836 6.986 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.595 11.780 6.292 1.00 0.00 N ATOM 0 H ASN A 35 0.100 10.659 8.468 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.348 13.179 8.536 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.831 11.262 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.347 12.932 6.106 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.585 12.023 6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.290 10.840 6.040 1.00 0.00 H new ATOM 518 N ASN A 36 -3.172 11.091 9.232 1.00 0.00 N ATOM 519 CA ASN A 36 -4.508 10.516 9.338 1.00 0.00 C ATOM 520 C ASN A 36 -4.865 9.733 8.078 1.00 0.00 C ATOM 521 O ASN A 36 -5.961 9.878 7.536 1.00 0.00 O ATOM 522 CB ASN A 36 -5.542 11.617 9.579 1.00 0.00 C ATOM 523 CG ASN A 36 -5.475 12.176 10.987 1.00 0.00 C ATOM 524 OD1 ASN A 36 -5.201 13.359 11.185 1.00 0.00 O ATOM 525 ND2 ASN A 36 -5.726 11.323 11.974 1.00 0.00 N ATOM 0 H ASN A 36 -2.630 11.061 10.095 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.515 9.829 10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.383 12.423 8.863 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.541 11.220 9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.696 11.641 12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.949 10.350 11.763 1.00 0.00 H new ATOM 532 N CYS A 37 -3.934 8.905 7.619 1.00 0.00 N ATOM 533 CA CYS A 37 -4.150 8.099 6.422 1.00 0.00 C ATOM 534 C CYS A 37 -4.305 6.625 6.780 1.00 0.00 C ATOM 535 O CYS A 37 -3.656 6.127 7.700 1.00 0.00 O ATOM 536 CB CYS A 37 -2.989 8.280 5.444 1.00 0.00 C ATOM 537 SG CYS A 37 -3.084 9.790 4.455 1.00 0.00 S ATOM 0 H CYS A 37 -3.022 8.774 8.057 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.071 8.437 5.947 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.054 8.284 6.004 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.956 7.421 4.774 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.984 10.582 4.958 1.00 0.00 H new ATOM 543 N ASP A 38 -5.171 5.932 6.049 1.00 0.00 N ATOM 544 CA ASP A 38 -5.412 4.514 6.289 1.00 0.00 C ATOM 545 C ASP A 38 -4.731 3.659 5.226 1.00 0.00 C ATOM 546 O ASP A 38 -4.814 3.951 4.033 1.00 0.00 O ATOM 547 CB ASP A 38 -6.914 4.226 6.307 1.00 0.00 C ATOM 548 CG ASP A 38 -7.524 4.419 7.682 1.00 0.00 C ATOM 549 OD1 ASP A 38 -6.771 4.375 8.677 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.755 4.614 7.763 1.00 0.00 O ATOM 0 H ASP A 38 -5.718 6.329 5.285 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.989 4.259 7.261 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.415 4.882 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.089 3.202 5.976 1.00 0.00 H new ATOM 555 N TYR A 39 -4.056 2.602 5.666 1.00 0.00 N ATOM 556 CA TYR A 39 -3.357 1.706 4.753 1.00 0.00 C ATOM 557 C TYR A 39 -3.788 0.260 4.973 1.00 0.00 C ATOM 558 O TYR A 39 -3.908 -0.197 6.109 1.00 0.00 O ATOM 559 CB TYR A 39 -1.844 1.834 4.938 1.00 0.00 C ATOM 560 CG TYR A 39 -1.419 1.943 6.385 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.451 3.163 7.049 1.00 0.00 C ATOM 562 CD2 TYR A 39 -0.983 0.827 7.088 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.063 3.268 8.371 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.594 0.922 8.410 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.636 2.145 9.047 1.00 0.00 C ATOM 566 OH TYR A 39 -0.248 2.244 10.363 1.00 0.00 O ATOM 0 H TYR A 39 -3.978 2.345 6.650 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.616 1.992 3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.357 0.968 4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.493 2.713 4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.785 4.045 6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.948 -0.132 6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.094 4.224 8.872 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.259 0.044 8.942 1.00 0.00 H new ATOM 0 HH TYR A 39 0.024 1.361 10.691 1.00 0.00 H new ATOM 576 N GLU A 40 -4.018 -0.456 3.876 1.00 0.00 N ATOM 577 CA GLU A 40 -4.435 -1.851 3.949 1.00 0.00 C ATOM 578 C GLU A 40 -3.389 -2.766 3.319 1.00 0.00 C ATOM 579 O GLU A 40 -2.836 -2.458 2.263 1.00 0.00 O ATOM 580 CB GLU A 40 -5.782 -2.041 3.248 1.00 0.00 C ATOM 581 CG GLU A 40 -6.951 -1.427 4.000 1.00 0.00 C ATOM 582 CD GLU A 40 -8.294 -1.871 3.452 1.00 0.00 C ATOM 583 OE1 GLU A 40 -8.496 -1.774 2.224 1.00 0.00 O ATOM 584 OE2 GLU A 40 -9.143 -2.315 4.254 1.00 0.00 O ATOM 0 H GLU A 40 -3.923 -0.093 2.928 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.539 -2.117 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.729 -1.600 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.966 -3.107 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.884 -1.700 5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.882 -0.340 3.947 1.00 0.00 H new ATOM 591 N GLN A 41 -3.122 -3.890 3.975 1.00 0.00 N ATOM 592 CA GLN A 41 -2.141 -4.849 3.480 1.00 0.00 C ATOM 593 C GLN A 41 -2.658 -5.564 2.237 1.00 0.00 C ATOM 594 O GLN A 41 -3.549 -6.410 2.320 1.00 0.00 O ATOM 595 CB GLN A 41 -1.802 -5.870 4.567 1.00 0.00 C ATOM 596 CG GLN A 41 -0.434 -6.510 4.395 1.00 0.00 C ATOM 597 CD GLN A 41 -0.375 -7.451 3.207 1.00 0.00 C ATOM 598 OE1 GLN A 41 -1.397 -7.977 2.765 1.00 0.00 O ATOM 599 NE2 GLN A 41 0.826 -7.669 2.683 1.00 0.00 N ATOM 0 H GLN A 41 -3.571 -4.159 4.850 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.238 -4.301 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.845 -5.380 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.562 -6.651 4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.316 -5.728 4.272 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.177 -7.058 5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.647 -7.212 3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.928 -8.293 1.883 1.00 0.00 H new ATOM 608 N ARG A 42 -2.094 -5.219 1.084 1.00 0.00 N ATOM 609 CA ARG A 42 -2.500 -5.827 -0.178 1.00 0.00 C ATOM 610 C ARG A 42 -1.544 -6.949 -0.572 1.00 0.00 C ATOM 611 O ARG A 42 -1.874 -8.128 -0.453 1.00 0.00 O ATOM 612 CB ARG A 42 -2.549 -4.772 -1.284 1.00 0.00 C ATOM 613 CG ARG A 42 -3.493 -3.619 -0.985 1.00 0.00 C ATOM 614 CD ARG A 42 -4.948 -4.053 -1.076 1.00 0.00 C ATOM 615 NE ARG A 42 -5.442 -4.581 0.193 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.624 -5.170 0.333 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.430 -5.305 -0.711 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.003 -5.625 1.521 1.00 0.00 N ATOM 0 H ARG A 42 -1.355 -4.522 0.998 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.496 -6.251 -0.046 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.545 -4.377 -1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.855 -5.248 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.290 -3.230 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.310 -2.806 -1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.561 -3.204 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.052 -4.813 -1.850 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.847 -4.493 1.017 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.143 -4.956 -1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.337 -5.758 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.386 -5.522 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.911 -6.077 1.628 1.00 0.00 H new ATOM 632 N GLU A 43 -0.359 -6.573 -1.043 1.00 0.00 N ATOM 633 CA GLU A 43 0.643 -7.548 -1.456 1.00 0.00 C ATOM 634 C GLU A 43 1.826 -7.554 -0.492 1.00 0.00 C ATOM 635 O GLU A 43 1.882 -6.756 0.444 1.00 0.00 O ATOM 636 CB GLU A 43 1.129 -7.243 -2.875 1.00 0.00 C ATOM 637 CG GLU A 43 0.005 -7.113 -3.888 1.00 0.00 C ATOM 638 CD GLU A 43 -0.913 -8.320 -3.901 1.00 0.00 C ATOM 639 OE1 GLU A 43 -0.420 -9.436 -4.169 1.00 0.00 O ATOM 640 OE2 GLU A 43 -2.123 -8.149 -3.643 1.00 0.00 O ATOM 0 H GLU A 43 -0.070 -5.601 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 43 0.180 -8.535 -1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.704 -6.317 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.806 -8.034 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.579 -6.220 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.431 -6.975 -4.882 1.00 0.00 H new ATOM 647 N ARG A 44 2.769 -8.461 -0.727 1.00 0.00 N ATOM 648 CA ARG A 44 3.949 -8.573 0.121 1.00 0.00 C ATOM 649 C ARG A 44 4.568 -7.202 0.376 1.00 0.00 C ATOM 650 O ARG A 44 4.935 -6.875 1.504 1.00 0.00 O ATOM 651 CB ARG A 44 4.982 -9.498 -0.526 1.00 0.00 C ATOM 652 CG ARG A 44 5.299 -9.142 -1.969 1.00 0.00 C ATOM 653 CD ARG A 44 6.168 -10.203 -2.627 1.00 0.00 C ATOM 654 NE ARG A 44 5.370 -11.222 -3.303 1.00 0.00 N ATOM 655 CZ ARG A 44 5.886 -12.321 -3.843 1.00 0.00 C ATOM 656 NH1 ARG A 44 7.192 -12.541 -3.787 1.00 0.00 N ATOM 657 NH2 ARG A 44 5.095 -13.202 -4.441 1.00 0.00 N ATOM 0 H ARG A 44 2.738 -9.129 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 44 3.640 -8.996 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.902 -9.466 0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.615 -10.523 -0.486 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.371 -9.031 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.809 -8.179 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.836 -9.729 -3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.796 -10.676 -1.872 1.00 0.00 H new ATOM 0 HE ARG A 44 4.361 -11.083 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.804 -11.866 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.585 -13.386 -4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.090 -13.036 -4.487 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.492 -14.045 -4.855 1.00 0.00 H new ATOM 671 N PHE A 45 4.681 -6.404 -0.681 1.00 0.00 N ATOM 672 CA PHE A 45 5.257 -5.069 -0.572 1.00 0.00 C ATOM 673 C PHE A 45 4.329 -4.025 -1.188 1.00 0.00 C ATOM 674 O PHE A 45 4.783 -3.066 -1.813 1.00 0.00 O ATOM 675 CB PHE A 45 6.623 -5.022 -1.260 1.00 0.00 C ATOM 676 CG PHE A 45 7.691 -5.777 -0.522 1.00 0.00 C ATOM 677 CD1 PHE A 45 8.239 -5.268 0.645 1.00 0.00 C ATOM 678 CD2 PHE A 45 8.148 -6.997 -0.995 1.00 0.00 C ATOM 679 CE1 PHE A 45 9.222 -5.961 1.325 1.00 0.00 C ATOM 680 CE2 PHE A 45 9.131 -7.695 -0.318 1.00 0.00 C ATOM 681 CZ PHE A 45 9.668 -7.176 0.843 1.00 0.00 C ATOM 0 H PHE A 45 4.381 -6.659 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 45 5.383 -4.840 0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.529 -5.431 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.932 -3.982 -1.367 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.894 -4.319 1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.731 -7.407 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.641 -5.553 2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.478 -8.645 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.436 -7.719 1.374 1.00 0.00 H new ATOM 691 N LEU A 46 3.028 -4.219 -1.007 1.00 0.00 N ATOM 692 CA LEU A 46 2.034 -3.295 -1.544 1.00 0.00 C ATOM 693 C LEU A 46 0.950 -3.002 -0.513 1.00 0.00 C ATOM 694 O LEU A 46 0.505 -3.896 0.208 1.00 0.00 O ATOM 695 CB LEU A 46 1.405 -3.874 -2.813 1.00 0.00 C ATOM 696 CG LEU A 46 0.756 -2.864 -3.760 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.824 -3.361 -5.196 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.686 -2.601 -3.353 1.00 0.00 C ATOM 0 H LEU A 46 2.636 -5.008 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 46 2.537 -2.360 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.176 -4.414 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.651 -4.604 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 46 1.307 -1.926 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.358 -2.630 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.866 -3.498 -5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.297 -4.312 -5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.132 -1.880 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.250 -3.533 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.711 -2.201 -2.339 1.00 0.00 H new ATOM 710 N LEU A 47 0.526 -1.744 -0.449 1.00 0.00 N ATOM 711 CA LEU A 47 -0.509 -1.332 0.493 1.00 0.00 C ATOM 712 C LEU A 47 -1.492 -0.369 -0.165 1.00 0.00 C ATOM 713 O LEU A 47 -1.175 0.267 -1.170 1.00 0.00 O ATOM 714 CB LEU A 47 0.123 -0.674 1.720 1.00 0.00 C ATOM 715 CG LEU A 47 1.001 -1.576 2.589 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.097 -0.766 3.263 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.156 -2.302 3.626 1.00 0.00 C ATOM 0 H LEU A 47 0.883 -0.992 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.055 -2.222 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.725 0.171 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.675 -0.270 2.342 1.00 0.00 H new ATOM 0 HG LEU A 47 1.472 -2.320 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.711 -1.425 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.719 -0.293 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.647 0.002 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.796 -2.939 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.343 -1.573 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.591 -2.915 3.122 1.00 0.00 H new ATOM 729 N PHE A 48 -2.686 -0.266 0.409 1.00 0.00 N ATOM 730 CA PHE A 48 -3.715 0.620 -0.121 1.00 0.00 C ATOM 731 C PHE A 48 -3.922 1.823 0.796 1.00 0.00 C ATOM 732 O PHE A 48 -4.628 1.736 1.801 1.00 0.00 O ATOM 733 CB PHE A 48 -5.033 -0.138 -0.291 1.00 0.00 C ATOM 734 CG PHE A 48 -6.050 0.605 -1.110 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.814 1.612 -0.543 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.243 0.295 -2.447 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.750 2.297 -1.293 1.00 0.00 C ATOM 738 CE2 PHE A 48 -7.178 0.977 -3.202 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.933 1.979 -2.624 1.00 0.00 C ATOM 0 H PHE A 48 -2.965 -0.785 1.241 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.383 0.980 -1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.832 -1.100 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.453 -0.346 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.676 1.864 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.656 -0.488 -2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.338 3.081 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.318 0.727 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.665 2.513 -3.212 1.00 0.00 H new ATOM 749 N CYS A 49 -3.301 2.942 0.443 1.00 0.00 N ATOM 750 CA CYS A 49 -3.415 4.163 1.234 1.00 0.00 C ATOM 751 C CYS A 49 -4.761 4.841 0.996 1.00 0.00 C ATOM 752 O CYS A 49 -5.314 4.778 -0.102 1.00 0.00 O ATOM 753 CB CYS A 49 -2.278 5.125 0.891 1.00 0.00 C ATOM 754 SG CYS A 49 -0.663 4.617 1.527 1.00 0.00 S ATOM 0 H CYS A 49 -2.713 3.030 -0.386 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.346 3.892 2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.215 5.224 -0.193 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.519 6.111 1.288 1.00 0.00 H new ATOM 0 HG CYS A 49 0.181 4.522 0.543 1.00 0.00 H new ATOM 760 N VAL A 50 -5.283 5.487 2.033 1.00 0.00 N ATOM 761 CA VAL A 50 -6.564 6.177 1.938 1.00 0.00 C ATOM 762 C VAL A 50 -6.555 7.468 2.747 1.00 0.00 C ATOM 763 O VAL A 50 -6.230 7.467 3.935 1.00 0.00 O ATOM 764 CB VAL A 50 -7.720 5.284 2.429 1.00 0.00 C ATOM 765 CG1 VAL A 50 -8.962 6.120 2.700 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.014 4.189 1.416 1.00 0.00 C ATOM 0 H VAL A 50 -4.839 5.547 2.949 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.719 6.413 0.885 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.419 4.810 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.768 5.473 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.740 6.864 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.269 6.623 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.833 3.568 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.295 4.640 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.125 3.573 1.278 1.00 0.00 H new ATOM 776 N HIS A 51 -6.914 8.571 2.097 1.00 0.00 N ATOM 777 CA HIS A 51 -6.949 9.871 2.756 1.00 0.00 C ATOM 778 C HIS A 51 -8.160 10.679 2.302 1.00 0.00 C ATOM 779 O HIS A 51 -8.750 10.399 1.260 1.00 0.00 O ATOM 780 CB HIS A 51 -5.664 10.648 2.465 1.00 0.00 C ATOM 781 CG HIS A 51 -5.340 11.679 3.502 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.468 11.651 4.849 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -4.817 12.917 3.194 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.024 12.859 5.326 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -4.637 13.605 4.308 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.185 8.590 1.114 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.029 9.704 3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.834 9.946 2.391 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.756 11.137 1.495 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -5.828 10.876 5.406 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.590 13.269 2.199 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.996 13.152 6.365 1.00 0.00 H new ATOM 794 N GLY A 52 -8.527 11.683 3.093 1.00 0.00 N ATOM 795 CA GLY A 52 -9.666 12.516 2.756 1.00 0.00 C ATOM 796 C GLY A 52 -9.306 13.985 2.671 1.00 0.00 C ATOM 797 O GLY A 52 -9.633 14.656 1.692 1.00 0.00 O ATOM 0 H GLY A 52 -8.055 11.934 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.080 12.191 1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.446 12.379 3.505 1.00 0.00 H new ATOM 801 N ASP A 53 -8.633 14.488 3.700 1.00 0.00 N ATOM 802 CA ASP A 53 -8.228 15.889 3.738 1.00 0.00 C ATOM 803 C ASP A 53 -9.272 16.774 3.064 1.00 0.00 C ATOM 804 O ASP A 53 -8.942 17.614 2.228 1.00 0.00 O ATOM 805 CB ASP A 53 -6.872 16.069 3.055 1.00 0.00 C ATOM 806 CG ASP A 53 -6.325 17.474 3.214 1.00 0.00 C ATOM 807 OD1 ASP A 53 -5.692 17.749 4.255 1.00 0.00 O ATOM 808 OD2 ASP A 53 -6.529 18.297 2.298 1.00 0.00 O ATOM 0 H ASP A 53 -8.356 13.947 4.519 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.142 16.189 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.161 15.356 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.969 15.838 1.994 1.00 0.00 H new ATOM 813 N GLY A 54 -10.534 16.579 3.435 1.00 0.00 N ATOM 814 CA GLY A 54 -11.607 17.367 2.856 1.00 0.00 C ATOM 815 C GLY A 54 -12.974 16.767 3.120 1.00 0.00 C ATOM 816 O GLY A 54 -13.232 16.246 4.206 1.00 0.00 O ATOM 0 H GLY A 54 -10.832 15.890 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.572 18.377 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.452 17.451 1.780 1.00 0.00 H new ATOM 820 N HIS A 55 -13.853 16.840 2.126 1.00 0.00 N ATOM 821 CA HIS A 55 -15.202 16.301 2.257 1.00 0.00 C ATOM 822 C HIS A 55 -15.200 14.785 2.084 1.00 0.00 C ATOM 823 O HIS A 55 -14.190 14.196 1.701 1.00 0.00 O ATOM 824 CB HIS A 55 -16.133 16.942 1.227 1.00 0.00 C ATOM 825 CG HIS A 55 -16.610 18.307 1.619 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.370 18.543 2.745 1.00 0.00 N ATOM 827 CD2 HIS A 55 -16.430 19.511 1.029 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.638 19.834 2.829 1.00 0.00 C ATOM 829 NE2 HIS A 55 -17.079 20.444 1.800 1.00 0.00 N ATOM 0 H HIS A 55 -13.656 17.267 1.221 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.564 16.535 3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.613 17.008 0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.996 16.294 1.076 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.878 19.703 0.121 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.216 20.310 3.607 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -17.122 21.445 1.609 1.00 0.00 H new ATOM 838 N ALA A 56 -16.338 14.160 2.369 1.00 0.00 N ATOM 839 CA ALA A 56 -16.467 12.714 2.244 1.00 0.00 C ATOM 840 C ALA A 56 -16.535 12.294 0.779 1.00 0.00 C ATOM 841 O ALA A 56 -15.955 11.281 0.388 1.00 0.00 O ATOM 842 CB ALA A 56 -17.700 12.227 2.991 1.00 0.00 C ATOM 0 H ALA A 56 -17.184 14.633 2.688 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.583 12.256 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.784 11.145 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.612 12.486 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.589 12.701 2.574 1.00 0.00 H new ATOM 848 N GLU A 57 -17.246 13.078 -0.025 1.00 0.00 N ATOM 849 CA GLU A 57 -17.389 12.785 -1.446 1.00 0.00 C ATOM 850 C GLU A 57 -16.142 13.208 -2.217 1.00 0.00 C ATOM 851 O GLU A 57 -16.094 13.109 -3.442 1.00 0.00 O ATOM 852 CB GLU A 57 -18.619 13.495 -2.015 1.00 0.00 C ATOM 853 CG GLU A 57 -19.911 13.146 -1.294 1.00 0.00 C ATOM 854 CD GLU A 57 -20.994 14.187 -1.503 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.854 15.306 -0.967 1.00 0.00 O ATOM 856 OE2 GLU A 57 -21.982 13.881 -2.202 1.00 0.00 O ATOM 0 H GLU A 57 -17.732 13.920 0.283 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.516 11.708 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.463 14.572 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.721 13.239 -3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -20.269 12.178 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.711 13.044 -0.227 1.00 0.00 H new ATOM 863 N ASN A 58 -15.135 13.679 -1.489 1.00 0.00 N ATOM 864 CA ASN A 58 -13.887 14.119 -2.104 1.00 0.00 C ATOM 865 C ASN A 58 -12.704 13.320 -1.566 1.00 0.00 C ATOM 866 O ASN A 58 -11.559 13.767 -1.630 1.00 0.00 O ATOM 867 CB ASN A 58 -13.667 15.611 -1.850 1.00 0.00 C ATOM 868 CG ASN A 58 -14.700 16.475 -2.547 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.973 16.167 -2.329 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -14.357 17.408 -3.274 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.158 13.766 -0.473 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.960 13.947 -3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.701 15.803 -0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.671 15.892 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.367 17.609 -3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.063 17.980 -3.737 1.00 0.00 H new ATOM 877 N LEU A 59 -12.990 12.135 -1.036 1.00 0.00 N ATOM 878 CA LEU A 59 -11.950 11.272 -0.487 1.00 0.00 C ATOM 879 C LEU A 59 -11.022 10.770 -1.587 1.00 0.00 C ATOM 880 O LEU A 59 -11.454 10.519 -2.712 1.00 0.00 O ATOM 881 CB LEU A 59 -12.579 10.087 0.248 1.00 0.00 C ATOM 882 CG LEU A 59 -11.610 9.173 1.000 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.418 9.660 2.428 1.00 0.00 C ATOM 884 CD2 LEU A 59 -12.113 7.737 0.987 1.00 0.00 C ATOM 0 H LEU A 59 -13.933 11.751 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.361 11.858 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.310 10.472 0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.127 9.485 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.645 9.203 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.726 8.998 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.013 10.672 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.378 9.660 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.411 7.101 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -13.090 7.689 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.199 7.391 -0.043 1.00 0.00 H new ATOM 896 N VAL A 60 -9.743 10.622 -1.255 1.00 0.00 N ATOM 897 CA VAL A 60 -8.754 10.145 -2.214 1.00 0.00 C ATOM 898 C VAL A 60 -8.173 8.803 -1.784 1.00 0.00 C ATOM 899 O VAL A 60 -7.874 8.594 -0.609 1.00 0.00 O ATOM 900 CB VAL A 60 -7.606 11.158 -2.386 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.553 10.614 -3.340 1.00 0.00 C ATOM 902 CG2 VAL A 60 -8.143 12.494 -2.876 1.00 0.00 C ATOM 0 H VAL A 60 -9.368 10.826 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.269 10.025 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.135 11.316 -1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.750 11.343 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.147 9.684 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.006 10.425 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.318 13.197 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.640 12.356 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.856 12.887 -2.152 1.00 0.00 H new ATOM 912 N GLN A 61 -8.017 7.897 -2.744 1.00 0.00 N ATOM 913 CA GLN A 61 -7.472 6.574 -2.464 1.00 0.00 C ATOM 914 C GLN A 61 -6.424 6.186 -3.501 1.00 0.00 C ATOM 915 O GLN A 61 -6.629 6.363 -4.702 1.00 0.00 O ATOM 916 CB GLN A 61 -8.592 5.533 -2.440 1.00 0.00 C ATOM 917 CG GLN A 61 -9.705 5.859 -1.456 1.00 0.00 C ATOM 918 CD GLN A 61 -10.891 4.924 -1.586 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.174 4.408 -2.668 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.593 4.700 -0.482 1.00 0.00 N ATOM 0 H GLN A 61 -8.260 8.055 -3.722 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.993 6.606 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.017 5.445 -3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.168 4.561 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.314 5.805 -0.440 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.037 6.885 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.323 5.148 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.402 4.079 -0.509 1.00 0.00 H new ATOM 929 N TRP A 62 -5.300 5.658 -3.030 1.00 0.00 N ATOM 930 CA TRP A 62 -4.219 5.245 -3.918 1.00 0.00 C ATOM 931 C TRP A 62 -3.357 4.171 -3.264 1.00 0.00 C ATOM 932 O TRP A 62 -3.187 4.157 -2.045 1.00 0.00 O ATOM 933 CB TRP A 62 -3.354 6.449 -4.296 1.00 0.00 C ATOM 934 CG TRP A 62 -2.510 6.952 -3.165 1.00 0.00 C ATOM 935 CD1 TRP A 62 -1.189 6.683 -2.945 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.929 7.811 -2.098 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.762 7.322 -1.806 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.810 8.021 -1.269 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.140 8.423 -1.764 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.869 8.817 -0.128 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.197 9.213 -0.631 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.067 9.404 0.176 1.00 0.00 C ATOM 0 H TRP A 62 -5.113 5.506 -2.039 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.664 4.827 -4.821 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.707 6.175 -5.129 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.999 7.255 -4.645 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.571 6.060 -3.574 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.182 7.282 -1.423 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -5.016 8.281 -2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.000 8.966 0.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.128 9.691 -0.363 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.143 10.027 1.055 1.00 0.00 H new ATOM 953 N GLU A 63 -2.817 3.272 -4.081 1.00 0.00 N ATOM 954 CA GLU A 63 -1.974 2.194 -3.579 1.00 0.00 C ATOM 955 C GLU A 63 -0.497 2.564 -3.685 1.00 0.00 C ATOM 956 O GLU A 63 -0.140 3.563 -4.308 1.00 0.00 O ATOM 957 CB GLU A 63 -2.244 0.902 -4.355 1.00 0.00 C ATOM 958 CG GLU A 63 -3.393 0.083 -3.791 1.00 0.00 C ATOM 959 CD GLU A 63 -4.078 -0.764 -4.847 1.00 0.00 C ATOM 960 OE1 GLU A 63 -4.036 -0.381 -6.034 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.654 -1.810 -4.484 1.00 0.00 O ATOM 0 H GLU A 63 -2.948 3.269 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.217 2.036 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.461 1.151 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.340 0.293 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.018 -0.564 -2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.124 0.753 -3.337 1.00 0.00 H new ATOM 968 N MET A 64 0.356 1.751 -3.070 1.00 0.00 N ATOM 969 CA MET A 64 1.794 1.992 -3.095 1.00 0.00 C ATOM 970 C MET A 64 2.567 0.678 -3.053 1.00 0.00 C ATOM 971 O MET A 64 2.259 -0.207 -2.255 1.00 0.00 O ATOM 972 CB MET A 64 2.205 2.877 -1.916 1.00 0.00 C ATOM 973 CG MET A 64 1.774 4.327 -2.065 1.00 0.00 C ATOM 974 SD MET A 64 1.868 5.243 -0.515 1.00 0.00 S ATOM 975 CE MET A 64 3.625 5.577 -0.425 1.00 0.00 C ATOM 0 H MET A 64 0.076 0.920 -2.549 1.00 0.00 H new ATOM 0 HA MET A 64 2.035 2.505 -4.026 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.775 2.471 -1.000 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.289 2.838 -1.804 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.404 4.814 -2.809 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.752 4.361 -2.441 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.902 5.791 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.179 4.707 -0.776 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.864 6.437 -1.051 1.00 0.00 H new ATOM 985 N GLU A 65 3.570 0.558 -3.917 1.00 0.00 N ATOM 986 CA GLU A 65 4.385 -0.650 -3.978 1.00 0.00 C ATOM 987 C GLU A 65 5.870 -0.309 -3.900 1.00 0.00 C ATOM 988 O GLU A 65 6.321 0.685 -4.471 1.00 0.00 O ATOM 989 CB GLU A 65 4.094 -1.424 -5.265 1.00 0.00 C ATOM 990 CG GLU A 65 5.085 -2.543 -5.540 1.00 0.00 C ATOM 991 CD GLU A 65 4.779 -3.799 -4.748 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.695 -4.383 -4.958 1.00 0.00 O ATOM 993 OE2 GLU A 65 5.623 -4.199 -3.919 1.00 0.00 O ATOM 0 H GLU A 65 3.838 1.282 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 65 4.128 -1.274 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.090 -1.845 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.100 -0.730 -6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.076 -2.778 -6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.091 -2.201 -5.297 1.00 0.00 H new ATOM 1000 N VAL A 66 6.626 -1.139 -3.190 1.00 0.00 N ATOM 1001 CA VAL A 66 8.060 -0.927 -3.037 1.00 0.00 C ATOM 1002 C VAL A 66 8.855 -1.937 -3.856 1.00 0.00 C ATOM 1003 O VAL A 66 9.071 -3.070 -3.424 1.00 0.00 O ATOM 1004 CB VAL A 66 8.489 -1.028 -1.561 1.00 0.00 C ATOM 1005 CG1 VAL A 66 9.991 -0.828 -1.426 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.730 -0.016 -0.716 1.00 0.00 C ATOM 0 H VAL A 66 6.269 -1.966 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 66 8.271 0.079 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 66 8.246 -2.026 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.275 -0.903 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.513 -1.594 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.263 0.157 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.045 -0.101 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.940 0.991 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.660 -0.211 -0.788 1.00 0.00 H new ATOM 1016 N CYS A 67 9.289 -1.520 -5.041 1.00 0.00 N ATOM 1017 CA CYS A 67 10.061 -2.389 -5.922 1.00 0.00 C ATOM 1018 C CYS A 67 11.449 -1.812 -6.175 1.00 0.00 C ATOM 1019 O CYS A 67 11.680 -0.617 -5.988 1.00 0.00 O ATOM 1020 CB CYS A 67 9.327 -2.586 -7.249 1.00 0.00 C ATOM 1021 SG CYS A 67 9.989 -3.926 -8.267 1.00 0.00 S ATOM 0 H CYS A 67 9.119 -0.586 -5.413 1.00 0.00 H new ATOM 0 HA CYS A 67 10.174 -3.355 -5.431 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.275 -2.785 -7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.370 -1.657 -7.817 1.00 0.00 H new ATOM 0 HG CYS A 67 9.301 -4.016 -9.367 1.00 0.00 H new ATOM 1027 N LYS A 68 12.372 -2.668 -6.601 1.00 0.00 N ATOM 1028 CA LYS A 68 13.739 -2.244 -6.880 1.00 0.00 C ATOM 1029 C LYS A 68 13.902 -1.866 -8.349 1.00 0.00 C ATOM 1030 O LYS A 68 13.374 -2.538 -9.235 1.00 0.00 O ATOM 1031 CB LYS A 68 14.724 -3.357 -6.516 1.00 0.00 C ATOM 1032 CG LYS A 68 14.572 -4.606 -7.366 1.00 0.00 C ATOM 1033 CD LYS A 68 15.387 -5.762 -6.810 1.00 0.00 C ATOM 1034 CE LYS A 68 16.802 -5.766 -7.370 1.00 0.00 C ATOM 1035 NZ LYS A 68 17.618 -6.878 -6.808 1.00 0.00 N ATOM 0 H LYS A 68 12.198 -3.660 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 68 13.952 -1.365 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.741 -2.979 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.588 -3.622 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.521 -4.890 -7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.890 -4.393 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.425 -5.692 -5.723 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.896 -6.705 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.763 -5.857 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.283 -4.814 -7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.575 -6.846 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.677 -6.777 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.173 -7.788 -7.042 1.00 0.00 H new ATOM 1049 N LEU A 69 14.638 -0.789 -8.599 1.00 0.00 N ATOM 1050 CA LEU A 69 14.873 -0.323 -9.962 1.00 0.00 C ATOM 1051 C LEU A 69 16.067 -1.039 -10.584 1.00 0.00 C ATOM 1052 O LEU A 69 17.096 -1.255 -9.943 1.00 0.00 O ATOM 1053 CB LEU A 69 15.108 1.188 -9.971 1.00 0.00 C ATOM 1054 CG LEU A 69 14.172 2.019 -9.092 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.881 3.266 -8.587 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.912 2.392 -9.858 1.00 0.00 C ATOM 0 H LEU A 69 15.082 -0.222 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 69 13.988 -0.550 -10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.134 1.378 -9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.020 1.543 -10.998 1.00 0.00 H new ATOM 0 HG LEU A 69 13.884 1.417 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.199 3.845 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.753 2.976 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.200 3.872 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.258 2.983 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.181 2.976 -10.739 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.393 1.485 -10.168 1.00 0.00 H new ATOM 1068 N PRO A 70 15.931 -1.414 -11.865 1.00 0.00 N ATOM 1069 CA PRO A 70 16.990 -2.108 -12.603 1.00 0.00 C ATOM 1070 C PRO A 70 18.184 -1.204 -12.892 1.00 0.00 C ATOM 1071 O PRO A 70 19.335 -1.614 -12.744 1.00 0.00 O ATOM 1072 CB PRO A 70 16.303 -2.520 -13.907 1.00 0.00 C ATOM 1073 CG PRO A 70 15.197 -1.537 -14.078 1.00 0.00 C ATOM 1074 CD PRO A 70 14.733 -1.189 -12.691 1.00 0.00 C ATOM 0 HA PRO A 70 17.398 -2.946 -12.038 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.996 -2.487 -14.748 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.921 -3.539 -13.849 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.543 -0.649 -14.608 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.384 -1.963 -14.666 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.390 -0.156 -12.629 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.902 -1.820 -12.375 1.00 0.00 H new ATOM 1082 N ARG A 71 17.901 0.027 -13.305 1.00 0.00 N ATOM 1083 CA ARG A 71 18.952 0.988 -13.616 1.00 0.00 C ATOM 1084 C ARG A 71 19.480 1.647 -12.344 1.00 0.00 C ATOM 1085 O ARG A 71 20.646 1.482 -11.985 1.00 0.00 O ATOM 1086 CB ARG A 71 18.427 2.057 -14.576 1.00 0.00 C ATOM 1087 CG ARG A 71 19.526 2.846 -15.269 1.00 0.00 C ATOM 1088 CD ARG A 71 19.031 3.472 -16.564 1.00 0.00 C ATOM 1089 NE ARG A 71 18.949 2.495 -17.647 1.00 0.00 N ATOM 1090 CZ ARG A 71 18.475 2.776 -18.855 1.00 0.00 C ATOM 1091 NH1 ARG A 71 18.042 3.999 -19.134 1.00 0.00 N ATOM 1092 NH2 ARG A 71 18.432 1.834 -19.789 1.00 0.00 N ATOM 0 H ARG A 71 16.953 0.382 -13.432 1.00 0.00 H new ATOM 0 HA ARG A 71 19.771 0.451 -14.094 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.802 1.580 -15.331 1.00 0.00 H new ATOM 0 HB3 ARG A 71 17.789 2.747 -14.024 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.890 3.627 -14.602 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.369 2.189 -15.481 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.049 3.915 -16.400 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.701 4.281 -16.855 1.00 0.00 H new ATOM 0 HE ARG A 71 19.274 1.545 -17.465 1.00 0.00 H new ATOM 0 HH11 ARG A 71 18.073 4.726 -18.419 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.678 4.212 -20.063 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.763 0.892 -19.579 1.00 0.00 H new ATOM 0 HH22 ARG A 71 18.068 2.052 -20.716 1.00 0.00 H new ATOM 1106 N LEU A 72 18.614 2.393 -11.668 1.00 0.00 N ATOM 1107 CA LEU A 72 18.992 3.078 -10.436 1.00 0.00 C ATOM 1108 C LEU A 72 19.539 2.090 -9.410 1.00 0.00 C ATOM 1109 O LEU A 72 20.387 2.439 -8.590 1.00 0.00 O ATOM 1110 CB LEU A 72 17.789 3.822 -9.853 1.00 0.00 C ATOM 1111 CG LEU A 72 17.416 5.136 -10.541 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.796 4.869 -11.903 1.00 0.00 C ATOM 1113 CD2 LEU A 72 16.464 5.943 -9.669 1.00 0.00 C ATOM 0 H LEU A 72 17.645 2.539 -11.952 1.00 0.00 H new ATOM 0 HA LEU A 72 19.775 3.797 -10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.925 3.159 -9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.990 4.029 -8.802 1.00 0.00 H new ATOM 0 HG LEU A 72 18.326 5.718 -10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.537 5.816 -12.377 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.510 4.333 -12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.896 4.266 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.209 6.875 -10.174 1.00 0.00 H new ATOM 0 HD22 LEU A 72 15.556 5.367 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.944 6.166 -8.716 1.00 0.00 H new ATOM 1125 N SER A 73 19.048 0.856 -9.465 1.00 0.00 N ATOM 1126 CA SER A 73 19.487 -0.182 -8.540 1.00 0.00 C ATOM 1127 C SER A 73 19.162 0.201 -7.099 1.00 0.00 C ATOM 1128 O SER A 73 19.938 -0.071 -6.182 1.00 0.00 O ATOM 1129 CB SER A 73 20.990 -0.426 -8.688 1.00 0.00 C ATOM 1130 OG SER A 73 21.414 -0.201 -10.021 1.00 0.00 O ATOM 0 H SER A 73 18.347 0.551 -10.140 1.00 0.00 H new ATOM 0 HA SER A 73 18.952 -1.100 -8.783 1.00 0.00 H new ATOM 0 HB2 SER A 73 21.537 0.233 -8.013 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.226 -1.449 -8.396 1.00 0.00 H new ATOM 0 HG SER A 73 22.378 -0.362 -10.089 1.00 0.00 H new ATOM 1136 N LEU A 74 18.010 0.835 -6.908 1.00 0.00 N ATOM 1137 CA LEU A 74 17.581 1.258 -5.579 1.00 0.00 C ATOM 1138 C LEU A 74 16.101 0.958 -5.365 1.00 0.00 C ATOM 1139 O LEU A 74 15.419 0.472 -6.266 1.00 0.00 O ATOM 1140 CB LEU A 74 17.843 2.753 -5.388 1.00 0.00 C ATOM 1141 CG LEU A 74 19.312 3.176 -5.346 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.468 4.610 -5.828 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.872 3.021 -3.939 1.00 0.00 C ATOM 0 H LEU A 74 17.357 1.067 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 74 18.157 0.698 -4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.353 3.294 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.368 3.069 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 74 19.877 2.526 -6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.520 4.894 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.106 4.691 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.890 5.275 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.918 3.327 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 74 19.304 3.647 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.795 1.979 -3.630 1.00 0.00 H new ATOM 1155 N ASN A 75 15.610 1.253 -4.165 1.00 0.00 N ATOM 1156 CA ASN A 75 14.210 1.017 -3.832 1.00 0.00 C ATOM 1157 C ASN A 75 13.395 2.299 -3.969 1.00 0.00 C ATOM 1158 O ASN A 75 13.742 3.332 -3.399 1.00 0.00 O ATOM 1159 CB ASN A 75 14.088 0.471 -2.408 1.00 0.00 C ATOM 1160 CG ASN A 75 14.965 -0.745 -2.178 1.00 0.00 C ATOM 1161 OD1 ASN A 75 15.867 -0.725 -1.341 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.702 -1.813 -2.923 1.00 0.00 N ATOM 0 H ASN A 75 16.161 1.656 -3.407 1.00 0.00 H new ATOM 0 HA ASN A 75 13.815 0.280 -4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.361 1.252 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.049 0.209 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.258 -2.661 -2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.944 -1.785 -3.605 1.00 0.00 H new ATOM 1169 N GLY A 76 12.307 2.224 -4.729 1.00 0.00 N ATOM 1170 CA GLY A 76 11.458 3.384 -4.927 1.00 0.00 C ATOM 1171 C GLY A 76 10.053 3.172 -4.400 1.00 0.00 C ATOM 1172 O GLY A 76 9.827 2.321 -3.538 1.00 0.00 O ATOM 0 H GLY A 76 11.998 1.380 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.903 4.245 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.412 3.619 -5.990 1.00 0.00 H new ATOM 1176 N VAL A 77 9.105 3.947 -4.916 1.00 0.00 N ATOM 1177 CA VAL A 77 7.714 3.840 -4.491 1.00 0.00 C ATOM 1178 C VAL A 77 6.763 4.060 -5.663 1.00 0.00 C ATOM 1179 O VAL A 77 6.901 5.026 -6.414 1.00 0.00 O ATOM 1180 CB VAL A 77 7.387 4.856 -3.381 1.00 0.00 C ATOM 1181 CG1 VAL A 77 5.894 4.867 -3.090 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.181 4.543 -2.122 1.00 0.00 C ATOM 0 H VAL A 77 9.275 4.656 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 77 7.578 2.831 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 77 7.673 5.850 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.682 5.591 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.349 5.143 -3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.579 3.875 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.938 5.271 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.928 3.542 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.247 4.591 -2.343 1.00 0.00 H new ATOM 1192 N ARG A 78 5.799 3.159 -5.812 1.00 0.00 N ATOM 1193 CA ARG A 78 4.825 3.254 -6.892 1.00 0.00 C ATOM 1194 C ARG A 78 3.612 4.073 -6.461 1.00 0.00 C ATOM 1195 O ARG A 78 3.189 4.015 -5.306 1.00 0.00 O ATOM 1196 CB ARG A 78 4.380 1.857 -7.331 1.00 0.00 C ATOM 1197 CG ARG A 78 3.090 1.853 -8.135 1.00 0.00 C ATOM 1198 CD ARG A 78 3.306 2.405 -9.536 1.00 0.00 C ATOM 1199 NE ARG A 78 3.666 1.357 -10.487 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.842 0.383 -10.855 1.00 0.00 C ATOM 1201 NH1 ARG A 78 1.616 0.323 -10.354 1.00 0.00 N ATOM 1202 NH2 ARG A 78 3.243 -0.534 -11.726 1.00 0.00 N ATOM 0 H ARG A 78 5.671 2.354 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 78 5.302 3.758 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.171 1.404 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.249 1.232 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.703 0.836 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.337 2.449 -7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.398 2.904 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.093 3.158 -9.511 1.00 0.00 H new ATOM 0 HE ARG A 78 4.602 1.374 -10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.304 1.026 -9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.985 -0.426 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.185 -0.491 -12.114 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.609 -1.282 -12.008 1.00 0.00 H new ATOM 1216 N PHE A 79 3.057 4.836 -7.396 1.00 0.00 N ATOM 1217 CA PHE A 79 1.894 5.669 -7.113 1.00 0.00 C ATOM 1218 C PHE A 79 0.835 5.513 -8.201 1.00 0.00 C ATOM 1219 O PHE A 79 0.907 6.154 -9.250 1.00 0.00 O ATOM 1220 CB PHE A 79 2.308 7.137 -6.995 1.00 0.00 C ATOM 1221 CG PHE A 79 3.062 7.448 -5.734 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.386 7.065 -5.590 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.447 8.123 -4.692 1.00 0.00 C ATOM 1224 CE1 PHE A 79 5.082 7.349 -4.430 1.00 0.00 C ATOM 1225 CE2 PHE A 79 3.138 8.411 -3.529 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.458 8.024 -3.399 1.00 0.00 C ATOM 0 H PHE A 79 3.394 4.895 -8.357 1.00 0.00 H new ATOM 0 HA PHE A 79 1.466 5.342 -6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.926 7.402 -7.853 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.416 7.762 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.880 6.539 -6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.416 8.428 -4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.113 7.043 -4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.647 8.937 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.001 8.249 -2.493 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.147 4.657 -7.943 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.223 4.415 -8.898 1.00 0.00 C ATOM 1238 C LYS A 80 -2.489 5.162 -8.492 1.00 0.00 C ATOM 1239 O LYS A 80 -2.840 5.212 -7.313 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.513 2.916 -9.002 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.709 2.588 -9.879 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.893 1.088 -10.033 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.665 0.747 -11.298 1.00 0.00 C ATOM 1244 NZ LYS A 80 -4.368 -0.561 -11.184 1.00 0.00 N ATOM 0 H LYS A 80 -0.221 4.118 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.901 4.785 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.632 2.411 -9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.686 2.518 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.609 3.023 -9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.577 3.042 -10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.918 0.602 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.423 0.695 -9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.392 1.533 -11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.980 0.718 -12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.882 -0.757 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.672 -1.315 -11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.041 -0.526 -10.392 1.00 0.00 H new ATOM 1258 N ARG A 81 -3.171 5.740 -9.476 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.398 6.484 -9.220 1.00 0.00 C ATOM 1260 C ARG A 81 -5.603 5.549 -9.186 1.00 0.00 C ATOM 1261 O ARG A 81 -5.865 4.823 -10.145 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.602 7.557 -10.291 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.939 8.884 -9.958 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.539 10.025 -10.766 1.00 0.00 C ATOM 1265 NE ARG A 81 -4.303 9.864 -12.198 1.00 0.00 N ATOM 1266 CZ ARG A 81 -3.108 9.985 -12.764 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -2.045 10.266 -12.023 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -2.973 9.825 -14.074 1.00 0.00 N ATOM 0 H ARG A 81 -2.894 5.707 -10.457 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.305 6.965 -8.246 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.208 7.191 -11.239 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.671 7.720 -10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.052 9.092 -8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.870 8.818 -10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.612 10.077 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.111 10.970 -10.432 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.100 9.647 -12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.144 10.390 -11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.128 10.358 -12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.788 9.609 -14.648 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.054 9.918 -14.507 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.332 5.573 -8.075 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.509 4.728 -7.916 1.00 0.00 C ATOM 1284 C ILE A 82 -8.783 5.564 -7.865 1.00 0.00 C ATOM 1285 O ILE A 82 -9.638 5.466 -8.745 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.419 3.871 -6.640 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.429 2.721 -6.840 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.792 3.334 -6.264 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.003 3.085 -6.491 1.00 0.00 C ATOM 0 H ILE A 82 -6.128 6.168 -7.272 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.544 4.069 -8.784 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.059 4.498 -5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.740 1.874 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.468 2.395 -7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.712 2.730 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.472 4.167 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -9.178 2.720 -7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.357 2.223 -6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -4.674 3.912 -7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.949 3.383 -5.444 1.00 0.00 H new ATOM 1301 N SER A 83 -8.902 6.388 -6.829 1.00 0.00 N ATOM 1302 CA SER A 83 -10.073 7.241 -6.661 1.00 0.00 C ATOM 1303 C SER A 83 -9.661 8.698 -6.475 1.00 0.00 C ATOM 1304 O SER A 83 -8.514 8.994 -6.142 1.00 0.00 O ATOM 1305 CB SER A 83 -10.901 6.776 -5.461 1.00 0.00 C ATOM 1306 OG SER A 83 -11.763 5.710 -5.819 1.00 0.00 O ATOM 0 H SER A 83 -8.202 6.483 -6.093 1.00 0.00 H new ATOM 0 HA SER A 83 -10.680 7.165 -7.563 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.236 6.457 -4.658 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.489 7.609 -5.076 1.00 0.00 H new ATOM 0 HG SER A 83 -12.280 5.430 -5.035 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.607 9.607 -6.694 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.325 11.023 -6.546 1.00 0.00 C ATOM 1314 C GLY A 84 -9.693 11.620 -7.787 1.00 0.00 C ATOM 1315 O GLY A 84 -8.844 10.995 -8.424 1.00 0.00 O ATOM 0 H GLY A 84 -11.564 9.388 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.251 11.553 -6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.659 11.171 -5.696 1.00 0.00 H new ATOM 1319 N THR A 85 -10.108 12.834 -8.135 1.00 0.00 N ATOM 1320 CA THR A 85 -9.579 13.516 -9.310 1.00 0.00 C ATOM 1321 C THR A 85 -8.066 13.675 -9.218 1.00 0.00 C ATOM 1322 O THR A 85 -7.469 13.437 -8.168 1.00 0.00 O ATOM 1323 CB THR A 85 -10.220 14.905 -9.490 1.00 0.00 C ATOM 1324 OG1 THR A 85 -9.622 15.580 -10.602 1.00 0.00 O ATOM 1325 CG2 THR A 85 -10.054 15.744 -8.232 1.00 0.00 C ATOM 0 H THR A 85 -10.809 13.366 -7.619 1.00 0.00 H new ATOM 0 HA THR A 85 -9.825 12.897 -10.172 1.00 0.00 H new ATOM 0 HB THR A 85 -11.285 14.768 -9.679 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.036 16.461 -10.711 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.514 16.720 -8.383 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.535 15.241 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.993 15.872 -8.018 1.00 0.00 H new ATOM 1333 N SER A 86 -7.450 14.080 -10.325 1.00 0.00 N ATOM 1334 CA SER A 86 -6.005 14.268 -10.370 1.00 0.00 C ATOM 1335 C SER A 86 -5.574 15.397 -9.438 1.00 0.00 C ATOM 1336 O SER A 86 -4.525 15.322 -8.797 1.00 0.00 O ATOM 1337 CB SER A 86 -5.553 14.572 -11.800 1.00 0.00 C ATOM 1338 OG SER A 86 -5.969 13.553 -12.693 1.00 0.00 O ATOM 0 H SER A 86 -7.929 14.284 -11.202 1.00 0.00 H new ATOM 0 HA SER A 86 -5.533 13.344 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.964 15.530 -12.119 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.467 14.665 -11.830 1.00 0.00 H new ATOM 0 HG SER A 86 -5.670 13.771 -13.600 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.392 16.442 -9.369 1.00 0.00 N ATOM 1345 CA ILE A 87 -6.097 17.586 -8.515 1.00 0.00 C ATOM 1346 C ILE A 87 -5.805 17.145 -7.085 1.00 0.00 C ATOM 1347 O ILE A 87 -4.702 17.342 -6.577 1.00 0.00 O ATOM 1348 CB ILE A 87 -7.262 18.593 -8.501 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -7.671 18.953 -9.931 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.873 19.843 -7.726 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -8.606 20.139 -10.013 1.00 0.00 C ATOM 0 H ILE A 87 -7.263 16.520 -9.894 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.213 18.070 -8.931 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.115 18.131 -8.004 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.775 19.167 -10.513 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.152 18.090 -10.391 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.707 20.545 -7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.626 19.572 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.007 20.309 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.853 20.336 -11.056 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.519 19.922 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.121 21.015 -9.583 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.801 16.544 -6.442 1.00 0.00 N ATOM 1364 CA ALA A 88 -6.650 16.071 -5.072 1.00 0.00 C ATOM 1365 C ALA A 88 -5.556 15.013 -4.974 1.00 0.00 C ATOM 1366 O ALA A 88 -4.719 15.053 -4.072 1.00 0.00 O ATOM 1367 CB ALA A 88 -7.970 15.517 -4.556 1.00 0.00 C ATOM 0 H ALA A 88 -7.721 16.373 -6.848 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.357 16.918 -4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.842 15.167 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.728 16.300 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.287 14.686 -5.186 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.569 14.067 -5.907 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.578 12.997 -5.925 1.00 0.00 C ATOM 1375 C PHE A 89 -3.171 13.556 -5.737 1.00 0.00 C ATOM 1376 O PHE A 89 -2.383 13.033 -4.949 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.660 12.220 -7.240 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.637 11.125 -7.354 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.639 10.062 -6.466 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.673 11.161 -8.349 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.700 9.053 -6.568 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.732 10.155 -8.456 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.744 9.100 -7.564 1.00 0.00 C ATOM 0 H PHE A 89 -6.255 14.019 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.794 12.321 -5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.656 11.787 -7.336 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.532 12.914 -8.071 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.383 10.021 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.657 11.984 -9.048 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.714 8.229 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.987 10.193 -9.237 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.008 8.314 -7.645 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.862 14.621 -6.468 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.550 15.253 -6.383 1.00 0.00 C ATOM 1395 C LYS A 90 -1.363 15.940 -5.034 1.00 0.00 C ATOM 1396 O LYS A 90 -0.294 15.862 -4.431 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.378 16.271 -7.514 1.00 0.00 C ATOM 1398 CG LYS A 90 0.025 16.844 -7.607 1.00 0.00 C ATOM 1399 CD LYS A 90 0.028 18.206 -8.280 1.00 0.00 C ATOM 1400 CE LYS A 90 -0.941 18.250 -9.452 1.00 0.00 C ATOM 1401 NZ LYS A 90 -0.641 19.378 -10.378 1.00 0.00 N ATOM 0 H LYS A 90 -3.502 15.065 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.792 14.476 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.631 15.795 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.086 17.087 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.451 16.930 -6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.662 16.159 -8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.242 18.973 -7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.034 18.438 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.892 17.308 -9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.960 18.349 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.323 19.374 -11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.712 20.279 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.322 19.270 -10.756 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.411 16.611 -4.566 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.362 17.310 -3.288 1.00 0.00 C ATOM 1417 C ASN A 91 -1.851 16.390 -2.183 1.00 0.00 C ATOM 1418 O ASN A 91 -0.837 16.673 -1.545 1.00 0.00 O ATOM 1419 CB ASN A 91 -3.748 17.845 -2.921 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.261 18.858 -3.925 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.483 19.475 -4.654 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.576 19.035 -3.968 1.00 0.00 N ATOM 0 H ASN A 91 -3.304 16.685 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.671 18.147 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.450 17.014 -2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.707 18.305 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.979 19.704 -4.624 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.183 18.502 -3.345 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.559 15.287 -1.965 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.176 14.324 -0.940 1.00 0.00 C ATOM 1431 C ILE A 92 -0.873 13.621 -1.305 1.00 0.00 C ATOM 1432 O ILE A 92 -0.277 12.929 -0.480 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.274 13.266 -0.723 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.944 12.399 0.494 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.433 12.405 -1.967 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.394 13.184 1.664 1.00 0.00 C ATOM 0 H ILE A 92 -3.401 15.038 -2.484 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.036 14.886 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.219 13.777 -0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.845 11.874 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.218 11.640 0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.213 11.662 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.709 13.035 -2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.491 11.900 -2.183 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.183 12.505 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.475 13.688 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.127 13.925 1.982 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.436 13.804 -2.547 1.00 0.00 N ATOM 1449 CA ALA A 93 0.798 13.191 -3.020 1.00 0.00 C ATOM 1450 C ALA A 93 2.017 13.980 -2.555 1.00 0.00 C ATOM 1451 O ALA A 93 3.041 13.402 -2.191 1.00 0.00 O ATOM 1452 CB ALA A 93 0.785 13.082 -4.538 1.00 0.00 C ATOM 0 H ALA A 93 -0.919 14.372 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 93 0.863 12.189 -2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.713 12.622 -4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.060 12.469 -4.852 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.692 14.077 -4.973 1.00 0.00 H new ATOM 1458 N SER A 94 1.900 15.304 -2.570 1.00 0.00 N ATOM 1459 CA SER A 94 2.995 16.173 -2.154 1.00 0.00 C ATOM 1460 C SER A 94 3.242 16.054 -0.653 1.00 0.00 C ATOM 1461 O SER A 94 4.245 16.547 -0.136 1.00 0.00 O ATOM 1462 CB SER A 94 2.687 17.626 -2.518 1.00 0.00 C ATOM 1463 OG SER A 94 3.862 18.419 -2.488 1.00 0.00 O ATOM 0 H SER A 94 1.058 15.798 -2.866 1.00 0.00 H new ATOM 0 HA SER A 94 3.897 15.858 -2.679 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.241 17.669 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.953 18.031 -1.821 1.00 0.00 H new ATOM 0 HG SER A 94 4.413 18.158 -1.721 1.00 0.00 H new ATOM 1469 N LYS A 95 2.320 15.396 0.042 1.00 0.00 N ATOM 1470 CA LYS A 95 2.436 15.209 1.483 1.00 0.00 C ATOM 1471 C LYS A 95 3.167 13.910 1.807 1.00 0.00 C ATOM 1472 O LYS A 95 3.746 13.765 2.884 1.00 0.00 O ATOM 1473 CB LYS A 95 1.049 15.202 2.130 1.00 0.00 C ATOM 1474 CG LYS A 95 0.199 16.405 1.761 1.00 0.00 C ATOM 1475 CD LYS A 95 0.441 17.570 2.705 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.092 18.874 2.131 1.00 0.00 C ATOM 1477 NZ LYS A 95 -0.129 19.956 3.153 1.00 0.00 N ATOM 0 H LYS A 95 1.483 14.983 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 95 3.014 16.040 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.525 14.293 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.163 15.167 3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.424 16.711 0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.855 16.128 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.040 17.370 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.509 17.667 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.534 19.185 1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.095 18.714 1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.498 20.828 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.747 19.670 3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.832 20.127 3.512 1.00 0.00 H new ATOM 1491 N ILE A 96 3.138 12.971 0.868 1.00 0.00 N ATOM 1492 CA ILE A 96 3.800 11.685 1.053 1.00 0.00 C ATOM 1493 C ILE A 96 5.213 11.707 0.480 1.00 0.00 C ATOM 1494 O ILE A 96 6.184 11.438 1.186 1.00 0.00 O ATOM 1495 CB ILE A 96 3.007 10.543 0.391 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.550 10.566 0.858 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.649 9.200 0.707 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.371 10.146 2.300 1.00 0.00 C ATOM 0 H ILE A 96 2.663 13.076 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 96 3.849 11.507 2.127 1.00 0.00 H new ATOM 0 HB ILE A 96 3.025 10.687 -0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.151 11.572 0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.962 9.906 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.077 8.403 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.671 9.188 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.659 9.046 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.314 10.186 2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.739 9.128 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.931 10.820 2.948 1.00 0.00 H new ATOM 1510 N ALA A 97 5.319 12.031 -0.804 1.00 0.00 N ATOM 1511 CA ALA A 97 6.614 12.092 -1.472 1.00 0.00 C ATOM 1512 C ALA A 97 7.598 12.951 -0.684 1.00 0.00 C ATOM 1513 O ALA A 97 8.811 12.778 -0.792 1.00 0.00 O ATOM 1514 CB ALA A 97 6.454 12.631 -2.885 1.00 0.00 C ATOM 0 H ALA A 97 4.524 12.255 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 97 7.016 11.080 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.429 12.671 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.792 11.976 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.026 13.633 -2.846 1.00 0.00 H new ATOM 1520 N ASN A 98 7.066 13.877 0.107 1.00 0.00 N ATOM 1521 CA ASN A 98 7.898 14.764 0.912 1.00 0.00 C ATOM 1522 C ASN A 98 8.128 14.180 2.303 1.00 0.00 C ATOM 1523 O ASN A 98 9.247 13.809 2.653 1.00 0.00 O ATOM 1524 CB ASN A 98 7.247 16.143 1.027 1.00 0.00 C ATOM 1525 CG ASN A 98 7.952 17.034 2.031 1.00 0.00 C ATOM 1526 OD1 ASN A 98 7.400 17.361 3.082 1.00 0.00 O ATOM 1527 ND2 ASN A 98 9.178 17.431 1.711 1.00 0.00 N ATOM 0 H ASN A 98 6.063 14.033 0.208 1.00 0.00 H new ATOM 0 HA ASN A 98 8.863 14.866 0.416 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.252 16.627 0.050 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.204 16.026 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.702 18.032 2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 98 9.596 17.135 0.829 1.00 0.00 H new ATOM 1534 N GLU A 99 7.060 14.103 3.091 1.00 0.00 N ATOM 1535 CA GLU A 99 7.146 13.565 4.443 1.00 0.00 C ATOM 1536 C GLU A 99 8.165 12.432 4.514 1.00 0.00 C ATOM 1537 O GLU A 99 9.063 12.440 5.357 1.00 0.00 O ATOM 1538 CB GLU A 99 5.776 13.063 4.904 1.00 0.00 C ATOM 1539 CG GLU A 99 4.866 14.165 5.419 1.00 0.00 C ATOM 1540 CD GLU A 99 5.435 14.873 6.634 1.00 0.00 C ATOM 1541 OE1 GLU A 99 5.651 14.200 7.664 1.00 0.00 O ATOM 1542 OE2 GLU A 99 5.663 16.098 6.555 1.00 0.00 O ATOM 0 H GLU A 99 6.126 14.406 2.816 1.00 0.00 H new ATOM 0 HA GLU A 99 7.473 14.367 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.285 12.557 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.916 12.322 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.698 14.893 4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.895 13.740 5.673 1.00 0.00 H new ATOM 1549 N LEU A 100 8.020 11.457 3.623 1.00 0.00 N ATOM 1550 CA LEU A 100 8.927 10.315 3.583 1.00 0.00 C ATOM 1551 C LEU A 100 10.356 10.744 3.900 1.00 0.00 C ATOM 1552 O LEU A 100 10.990 11.455 3.121 1.00 0.00 O ATOM 1553 CB LEU A 100 8.876 9.646 2.209 1.00 0.00 C ATOM 1554 CG LEU A 100 7.660 8.759 1.939 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.769 8.106 0.570 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.517 7.703 3.026 1.00 0.00 C ATOM 0 H LEU A 100 7.283 11.434 2.918 1.00 0.00 H new ATOM 0 HA LEU A 100 8.605 9.600 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.909 10.424 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.775 9.042 2.087 1.00 0.00 H new ATOM 0 HG LEU A 100 6.768 9.386 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.895 7.479 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.821 8.878 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.669 7.493 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.646 7.081 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.411 7.080 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.391 8.191 3.993 1.00 0.00 H new ATOM 1568 N LYS A 101 10.859 10.305 5.049 1.00 0.00 N ATOM 1569 CA LYS A 101 12.214 10.639 5.469 1.00 0.00 C ATOM 1570 C LYS A 101 13.227 9.678 4.855 1.00 0.00 C ATOM 1571 O LYS A 101 14.147 9.214 5.530 1.00 0.00 O ATOM 1572 CB LYS A 101 12.321 10.602 6.996 1.00 0.00 C ATOM 1573 CG LYS A 101 11.755 11.837 7.675 1.00 0.00 C ATOM 1574 CD LYS A 101 12.666 13.040 7.494 1.00 0.00 C ATOM 1575 CE LYS A 101 13.816 13.022 8.489 1.00 0.00 C ATOM 1576 NZ LYS A 101 14.999 12.292 7.956 1.00 0.00 N ATOM 0 H LYS A 101 10.347 9.716 5.706 1.00 0.00 H new ATOM 0 HA LYS A 101 12.437 11.647 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.797 9.721 7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.369 10.492 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.770 12.060 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.619 11.639 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.062 13.048 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.089 13.957 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.101 14.045 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.487 12.552 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.012 11.325 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.944 12.253 6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.869 12.787 8.238 1.00 0.00 H new ATOM 1590 N LEU A 102 13.052 9.383 3.572 1.00 0.00 N ATOM 1591 CA LEU A 102 13.952 8.478 2.866 1.00 0.00 C ATOM 1592 C LEU A 102 14.891 9.251 1.945 1.00 0.00 C ATOM 1593 O LEU A 102 14.451 9.900 0.996 1.00 0.00 O ATOM 1594 CB LEU A 102 13.150 7.459 2.055 1.00 0.00 C ATOM 1595 CG LEU A 102 11.823 7.007 2.668 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.848 6.586 1.580 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.051 5.870 3.653 1.00 0.00 C ATOM 0 H LEU A 102 12.295 9.757 2.999 1.00 0.00 H new ATOM 0 HA LEU A 102 14.552 7.952 3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.947 7.885 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.773 6.579 1.898 1.00 0.00 H new ATOM 0 HG LEU A 102 11.389 7.848 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.910 6.268 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.661 7.428 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.273 5.760 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.097 5.561 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.507 5.026 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.713 6.207 4.451 1.00 0.00 H new