USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 659 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 Single : A 19 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-1.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -33:sc= -0.0157 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 60:sc= 1.78 USER MOD Single : A 62 HIS :FLIP no HD1:sc= -1.05 F(o=-2.2!,f=-1) USER MOD Single : A 65 LYS NZ :NH3+ -109:sc= 0.0408 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.089) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= -7.32! (180deg=-7.91!) USER MOD Single : A 72 SER OG : rot 176:sc= 0.947 USER MOD Single : A 74 THR OG1 : rot -150:sc= 0 USER MOD Single : A 80 SER OG : rot 38:sc= 1.25 USER MOD Single : A 83 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.12) USER MOD Single : A 84 LYS NZ :NH3+ -116:sc= -2.48 (180deg=-3.67!) USER MOD Single : A 85 ASN : amide:sc= 0.0306 K(o=0.031,f=-0.83) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0.38 (180deg=0.201) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc=-0.00993 K(o=-0.0099,f=-1.1) USER MOD Single : A 98 MET CE :methyl -161:sc= -0.0442 (180deg=-0.752) USER MOD Single : A 100 HIS : no HD1:sc= -3.61! C(o=-3.6!,f=-6.3!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -71:sc= 1.21 USER MOD Single : A 109 ASN : amide:sc= -0.086 K(o=-0.086,f=-1.3!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N HIS A 19 -1.393 -1.643 10.436 1.00 0.00 N ATOM 225 CA HIS A 19 -2.270 -1.892 9.297 1.00 0.00 C ATOM 226 C HIS A 19 -2.546 -3.382 9.117 1.00 0.00 C ATOM 227 O HIS A 19 -2.900 -3.813 8.029 1.00 0.00 O ATOM 228 CB HIS A 19 -1.644 -1.335 8.012 1.00 0.00 C ATOM 229 CG HIS A 19 -1.469 0.153 8.014 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.384 0.798 8.567 1.00 0.00 N ATOM 231 CD2 HIS A 19 -2.267 1.129 7.509 1.00 0.00 C ATOM 232 CE1 HIS A 19 -0.553 2.115 8.387 1.00 0.00 C ATOM 233 NE2 HIS A 19 -1.680 2.369 7.750 1.00 0.00 N ATOM 0 HA HIS A 19 -3.215 -1.387 9.497 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.672 -1.805 7.861 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.269 -1.616 7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.207 0.969 7.001 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.143 2.871 8.720 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.046 3.284 7.488 1.00 0.00 H new ATOM 240 N THR A 20 -2.361 -4.169 10.172 1.00 0.00 N ATOM 241 CA THR A 20 -2.576 -5.616 10.087 1.00 0.00 C ATOM 242 C THR A 20 -4.066 -5.983 9.995 1.00 0.00 C ATOM 243 O THR A 20 -4.877 -5.579 10.832 1.00 0.00 O ATOM 244 CB THR A 20 -1.922 -6.354 11.282 1.00 0.00 C ATOM 245 OG1 THR A 20 -2.206 -7.755 11.212 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.405 -5.795 12.614 1.00 0.00 C ATOM 0 H THR A 20 -2.065 -3.837 11.090 1.00 0.00 H new ATOM 0 HA THR A 20 -2.096 -5.943 9.164 1.00 0.00 H new ATOM 0 HB THR A 20 -0.845 -6.198 11.220 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.787 -8.212 11.971 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.926 -6.336 13.431 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.149 -4.738 12.679 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.486 -5.911 12.687 1.00 0.00 H new ATOM 254 N LEU A 21 -4.410 -6.749 8.954 1.00 0.00 N ATOM 255 CA LEU A 21 -5.780 -7.211 8.718 1.00 0.00 C ATOM 256 C LEU A 21 -5.776 -8.299 7.645 1.00 0.00 C ATOM 257 O LEU A 21 -4.715 -8.678 7.152 1.00 0.00 O ATOM 258 CB LEU A 21 -6.688 -6.053 8.294 1.00 0.00 C ATOM 259 CG LEU A 21 -7.953 -5.871 9.140 1.00 0.00 C ATOM 260 CD1 LEU A 21 -7.954 -4.507 9.812 1.00 0.00 C ATOM 261 CD2 LEU A 21 -9.201 -6.046 8.287 1.00 0.00 C ATOM 0 H LEU A 21 -3.743 -7.066 8.250 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.173 -7.620 9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.111 -5.129 8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.983 -6.206 7.256 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.958 -6.638 9.915 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.860 -4.396 10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.081 -4.419 10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.922 -3.727 9.052 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.087 -5.913 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.202 -5.305 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.208 -7.046 7.854 1.00 0.00 H new ATOM 273 N LEU A 22 -6.958 -8.806 7.282 1.00 0.00 N ATOM 274 CA LEU A 22 -7.054 -9.862 6.271 1.00 0.00 C ATOM 275 C LEU A 22 -6.965 -9.316 4.843 1.00 0.00 C ATOM 276 O LEU A 22 -6.080 -9.702 4.079 1.00 0.00 O ATOM 277 CB LEU A 22 -8.367 -10.633 6.431 1.00 0.00 C ATOM 278 CG LEU A 22 -8.228 -12.143 6.652 1.00 0.00 C ATOM 279 CD1 LEU A 22 -7.167 -12.736 5.735 1.00 0.00 C ATOM 280 CD2 LEU A 22 -7.904 -12.444 8.108 1.00 0.00 C ATOM 0 H LEU A 22 -7.853 -8.506 7.669 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.204 -10.526 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.915 -10.210 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.974 -10.469 5.541 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.183 -12.607 6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.090 -13.809 5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.445 -12.560 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.206 -12.264 5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.809 -13.521 8.244 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.966 -11.960 8.380 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.704 -12.067 8.744 1.00 0.00 H new ATOM 292 N PHE A 23 -7.885 -8.421 4.483 1.00 0.00 N ATOM 293 CA PHE A 23 -7.891 -7.833 3.140 1.00 0.00 C ATOM 294 C PHE A 23 -6.749 -6.839 2.983 1.00 0.00 C ATOM 295 O PHE A 23 -6.159 -6.697 1.910 1.00 0.00 O ATOM 296 CB PHE A 23 -9.228 -7.143 2.855 1.00 0.00 C ATOM 297 CG PHE A 23 -10.374 -8.099 2.671 1.00 0.00 C ATOM 298 CD1 PHE A 23 -11.204 -8.420 3.733 1.00 0.00 C ATOM 299 CD2 PHE A 23 -10.615 -8.678 1.434 1.00 0.00 C ATOM 300 CE1 PHE A 23 -12.256 -9.300 3.566 1.00 0.00 C ATOM 301 CE2 PHE A 23 -11.666 -9.559 1.262 1.00 0.00 C ATOM 302 CZ PHE A 23 -12.488 -9.870 2.328 1.00 0.00 C ATOM 0 H PHE A 23 -8.630 -8.088 5.095 1.00 0.00 H new ATOM 0 HA PHE A 23 -7.755 -8.640 2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.460 -6.466 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.128 -6.533 1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.027 -7.977 4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.975 -8.438 0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.896 -9.542 4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.845 -10.004 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.310 -10.557 2.194 1.00 0.00 H new ATOM 312 N ASP A 24 -6.466 -6.144 4.073 1.00 0.00 N ATOM 313 CA ASP A 24 -5.401 -5.154 4.127 1.00 0.00 C ATOM 314 C ASP A 24 -4.270 -5.653 5.005 1.00 0.00 C ATOM 315 O ASP A 24 -4.118 -5.203 6.133 1.00 0.00 O ATOM 316 CB ASP A 24 -5.885 -3.770 4.605 1.00 0.00 C ATOM 317 CG ASP A 24 -6.906 -3.813 5.730 1.00 0.00 C ATOM 318 OD1 ASP A 24 -7.949 -4.487 5.572 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.671 -3.156 6.765 1.00 0.00 O ATOM 0 H ASP A 24 -6.972 -6.251 4.952 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.042 -5.020 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.022 -3.192 4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.319 -3.238 3.758 1.00 0.00 H new ATOM 324 N LEU A 25 -3.540 -6.649 4.500 1.00 0.00 N ATOM 325 CA LEU A 25 -2.406 -7.245 5.215 1.00 0.00 C ATOM 326 C LEU A 25 -1.469 -6.158 5.761 1.00 0.00 C ATOM 327 O LEU A 25 -1.469 -5.035 5.253 1.00 0.00 O ATOM 328 CB LEU A 25 -1.629 -8.173 4.271 1.00 0.00 C ATOM 329 CG LEU A 25 -2.415 -9.386 3.762 1.00 0.00 C ATOM 330 CD1 LEU A 25 -1.619 -10.146 2.713 1.00 0.00 C ATOM 331 CD2 LEU A 25 -2.801 -10.305 4.913 1.00 0.00 C ATOM 0 H LEU A 25 -3.716 -7.066 3.586 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.793 -7.819 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.290 -7.592 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.737 -8.528 4.788 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.331 -9.021 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.198 -11.002 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.406 -9.488 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.682 -10.493 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.358 -11.158 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.900 -10.657 5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.422 -9.758 5.623 1.00 0.00 H new ATOM 343 N PRO A 26 -0.683 -6.490 6.820 1.00 0.00 N ATOM 344 CA PRO A 26 0.262 -5.570 7.485 1.00 0.00 C ATOM 345 C PRO A 26 0.982 -4.581 6.549 1.00 0.00 C ATOM 346 O PRO A 26 1.050 -4.789 5.335 1.00 0.00 O ATOM 347 CB PRO A 26 1.286 -6.526 8.102 1.00 0.00 C ATOM 348 CG PRO A 26 0.574 -7.825 8.311 1.00 0.00 C ATOM 349 CD PRO A 26 -0.688 -7.806 7.483 1.00 0.00 C ATOM 0 HA PRO A 26 -0.268 -4.924 8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.144 -6.655 7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.665 -6.134 9.046 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.210 -8.660 8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.335 -7.963 9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.695 -8.616 6.754 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.573 -7.931 8.107 1.00 0.00 H new ATOM 357 N PRO A 27 1.583 -3.507 7.134 1.00 0.00 N ATOM 358 CA PRO A 27 2.297 -2.453 6.387 1.00 0.00 C ATOM 359 C PRO A 27 3.332 -2.968 5.395 1.00 0.00 C ATOM 360 O PRO A 27 3.867 -2.195 4.616 1.00 0.00 O ATOM 361 CB PRO A 27 2.992 -1.638 7.473 1.00 0.00 C ATOM 362 CG PRO A 27 2.144 -1.825 8.672 1.00 0.00 C ATOM 363 CD PRO A 27 1.601 -3.226 8.582 1.00 0.00 C ATOM 0 HA PRO A 27 1.592 -1.892 5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.008 -1.991 7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.063 -0.586 7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.724 -1.689 9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.336 -1.094 8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.232 -3.934 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.603 -3.296 9.015 1.00 0.00 H new ATOM 371 N ALA A 28 3.617 -4.261 5.428 1.00 0.00 N ATOM 372 CA ALA A 28 4.581 -4.855 4.520 1.00 0.00 C ATOM 373 C ALA A 28 4.207 -4.551 3.070 1.00 0.00 C ATOM 374 O ALA A 28 5.084 -4.364 2.229 1.00 0.00 O ATOM 375 CB ALA A 28 4.651 -6.357 4.745 1.00 0.00 C ATOM 0 H ALA A 28 3.190 -4.921 6.079 1.00 0.00 H new ATOM 0 HA ALA A 28 5.562 -4.423 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.377 -6.794 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.956 -6.557 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.671 -6.798 4.565 1.00 0.00 H new ATOM 381 N LEU A 29 2.906 -4.514 2.770 1.00 0.00 N ATOM 382 CA LEU A 29 2.475 -4.212 1.412 1.00 0.00 C ATOM 383 C LEU A 29 1.841 -2.818 1.280 1.00 0.00 C ATOM 384 O LEU A 29 2.503 -1.874 0.863 1.00 0.00 O ATOM 385 CB LEU A 29 1.495 -5.272 0.913 1.00 0.00 C ATOM 386 CG LEU A 29 1.678 -5.649 -0.553 1.00 0.00 C ATOM 387 CD1 LEU A 29 3.107 -6.109 -0.796 1.00 0.00 C ATOM 388 CD2 LEU A 29 0.690 -6.729 -0.957 1.00 0.00 C ATOM 0 H LEU A 29 2.152 -4.686 3.435 1.00 0.00 H new ATOM 0 HA LEU A 29 3.374 -4.219 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.604 -6.168 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.478 -4.908 1.059 1.00 0.00 H new ATOM 0 HG LEU A 29 1.484 -4.770 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.230 -6.377 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.796 -5.303 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.321 -6.977 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.838 -6.983 -2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.849 -7.616 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.327 -6.365 -0.812 1.00 0.00 H new ATOM 400 N LEU A 30 0.572 -2.688 1.671 1.00 0.00 N ATOM 401 CA LEU A 30 -0.154 -1.417 1.553 1.00 0.00 C ATOM 402 C LEU A 30 0.462 -0.289 2.384 1.00 0.00 C ATOM 403 O LEU A 30 0.675 0.804 1.869 1.00 0.00 O ATOM 404 CB LEU A 30 -1.620 -1.609 1.968 1.00 0.00 C ATOM 405 CG LEU A 30 -2.502 -0.356 1.880 1.00 0.00 C ATOM 406 CD1 LEU A 30 -2.609 0.131 0.442 1.00 0.00 C ATOM 407 CD2 LEU A 30 -3.882 -0.634 2.456 1.00 0.00 C ATOM 0 H LEU A 30 0.023 -3.448 2.073 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.086 -1.120 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.058 -2.385 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.644 -1.977 2.994 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.034 0.432 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.239 1.020 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.615 0.374 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.049 -0.652 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.494 0.265 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.355 -1.440 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.788 -0.927 3.502 1.00 0.00 H new ATOM 419 N GLY A 31 0.771 -0.561 3.651 1.00 0.00 N ATOM 420 CA GLY A 31 1.306 0.480 4.526 1.00 0.00 C ATOM 421 C GLY A 31 2.621 1.089 4.058 1.00 0.00 C ATOM 422 O GLY A 31 2.730 2.310 3.936 1.00 0.00 O ATOM 0 H GLY A 31 0.663 -1.476 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.565 1.275 4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.449 0.061 5.522 1.00 0.00 H new ATOM 426 N GLU A 32 3.608 0.251 3.776 1.00 0.00 N ATOM 427 CA GLU A 32 4.915 0.726 3.337 1.00 0.00 C ATOM 428 C GLU A 32 4.888 1.294 1.925 1.00 0.00 C ATOM 429 O GLU A 32 5.478 2.344 1.671 1.00 0.00 O ATOM 430 CB GLU A 32 5.948 -0.401 3.436 1.00 0.00 C ATOM 431 CG GLU A 32 7.387 0.057 3.223 1.00 0.00 C ATOM 432 CD GLU A 32 7.817 -0.014 1.771 1.00 0.00 C ATOM 433 OE1 GLU A 32 7.239 -0.827 1.020 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.732 0.740 1.386 1.00 0.00 O ATOM 0 H GLU A 32 3.530 -0.764 3.843 1.00 0.00 H new ATOM 0 HA GLU A 32 5.199 1.541 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.868 -0.869 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.708 -1.166 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.494 1.082 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.053 -0.561 3.825 1.00 0.00 H new ATOM 441 N LEU A 33 4.200 0.616 1.009 1.00 0.00 N ATOM 442 CA LEU A 33 4.156 1.079 -0.373 1.00 0.00 C ATOM 443 C LEU A 33 3.416 2.404 -0.505 1.00 0.00 C ATOM 444 O LEU A 33 3.845 3.268 -1.259 1.00 0.00 O ATOM 445 CB LEU A 33 3.545 0.028 -1.309 1.00 0.00 C ATOM 446 CG LEU A 33 4.347 -1.273 -1.427 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.632 -2.265 -2.331 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.753 -0.995 -1.936 1.00 0.00 C ATOM 0 H LEU A 33 3.675 -0.239 1.194 1.00 0.00 H new ATOM 0 HA LEU A 33 5.190 1.240 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.541 -0.211 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.439 0.464 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 33 4.427 -1.715 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.218 -3.181 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.650 -2.493 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.515 -1.833 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.304 -1.932 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.698 -0.526 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.266 -0.328 -1.243 1.00 0.00 H new ATOM 460 N CYS A 34 2.318 2.579 0.233 1.00 0.00 N ATOM 461 CA CYS A 34 1.549 3.823 0.148 1.00 0.00 C ATOM 462 C CYS A 34 2.271 4.987 0.832 1.00 0.00 C ATOM 463 O CYS A 34 2.116 6.137 0.425 1.00 0.00 O ATOM 464 CB CYS A 34 0.155 3.655 0.762 1.00 0.00 C ATOM 465 SG CYS A 34 0.122 3.640 2.573 1.00 0.00 S ATOM 0 H CYS A 34 1.946 1.889 0.885 1.00 0.00 H new ATOM 0 HA CYS A 34 1.447 4.055 -0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.483 4.464 0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.278 2.724 0.397 1.00 0.00 H new ATOM 0 HG CYS A 34 1.209 3.086 3.022 1.00 0.00 H new ATOM 471 N ALA A 35 3.059 4.692 1.863 1.00 0.00 N ATOM 472 CA ALA A 35 3.771 5.736 2.596 1.00 0.00 C ATOM 473 C ALA A 35 5.113 6.117 1.968 1.00 0.00 C ATOM 474 O ALA A 35 5.347 7.285 1.660 1.00 0.00 O ATOM 475 CB ALA A 35 3.980 5.308 4.043 1.00 0.00 C ATOM 0 H ALA A 35 3.220 3.746 2.208 1.00 0.00 H new ATOM 0 HA ALA A 35 3.143 6.626 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.512 6.093 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.013 5.136 4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.566 4.389 4.070 1.00 0.00 H new ATOM 481 N VAL A 36 5.988 5.132 1.779 1.00 0.00 N ATOM 482 CA VAL A 36 7.323 5.378 1.230 1.00 0.00 C ATOM 483 C VAL A 36 7.295 5.894 -0.216 1.00 0.00 C ATOM 484 O VAL A 36 7.991 6.857 -0.546 1.00 0.00 O ATOM 485 CB VAL A 36 8.208 4.110 1.331 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.523 4.292 0.581 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.474 3.772 2.790 1.00 0.00 C ATOM 0 H VAL A 36 5.798 4.154 1.998 1.00 0.00 H new ATOM 0 HA VAL A 36 7.759 6.169 1.840 1.00 0.00 H new ATOM 0 HB VAL A 36 7.670 3.284 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.122 3.385 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.318 4.489 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.071 5.132 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.097 2.879 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.988 4.605 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.528 3.589 3.299 1.00 0.00 H new ATOM 497 N LEU A 37 6.482 5.278 -1.072 1.00 0.00 N ATOM 498 CA LEU A 37 6.411 5.694 -2.476 1.00 0.00 C ATOM 499 C LEU A 37 5.645 7.012 -2.639 1.00 0.00 C ATOM 500 O LEU A 37 5.732 7.654 -3.681 1.00 0.00 O ATOM 501 CB LEU A 37 5.781 4.610 -3.352 1.00 0.00 C ATOM 502 CG LEU A 37 6.492 3.258 -3.375 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.761 2.306 -4.304 1.00 0.00 C ATOM 504 CD2 LEU A 37 7.942 3.418 -3.806 1.00 0.00 C ATOM 0 H LEU A 37 5.870 4.500 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 37 7.437 5.852 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.756 4.452 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.727 4.985 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 37 6.485 2.843 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.273 1.344 -4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.738 2.168 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.746 2.721 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.429 2.443 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.979 3.851 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.459 4.075 -3.107 1.00 0.00 H new ATOM 516 N ASP A 38 4.866 7.391 -1.627 1.00 0.00 N ATOM 517 CA ASP A 38 4.109 8.645 -1.665 1.00 0.00 C ATOM 518 C ASP A 38 5.050 9.833 -1.825 1.00 0.00 C ATOM 519 O ASP A 38 4.748 10.792 -2.534 1.00 0.00 O ATOM 520 CB ASP A 38 3.280 8.810 -0.386 1.00 0.00 C ATOM 521 CG ASP A 38 2.454 10.079 -0.384 1.00 0.00 C ATOM 522 OD1 ASP A 38 1.315 10.045 -0.886 1.00 0.00 O ATOM 523 OD2 ASP A 38 2.948 11.110 0.114 1.00 0.00 O ATOM 0 H ASP A 38 4.741 6.850 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 38 3.436 8.609 -2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.619 7.951 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.947 8.814 0.476 1.00 0.00 H new ATOM 528 N SER A 39 6.192 9.758 -1.152 1.00 0.00 N ATOM 529 CA SER A 39 7.193 10.815 -1.210 1.00 0.00 C ATOM 530 C SER A 39 8.193 10.573 -2.340 1.00 0.00 C ATOM 531 O SER A 39 9.220 11.248 -2.424 1.00 0.00 O ATOM 532 CB SER A 39 7.924 10.922 0.131 1.00 0.00 C ATOM 533 OG SER A 39 8.569 9.702 0.471 1.00 0.00 O ATOM 0 H SER A 39 6.448 8.971 -0.556 1.00 0.00 H new ATOM 0 HA SER A 39 6.680 11.755 -1.413 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.661 11.723 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.214 11.190 0.913 1.00 0.00 H new ATOM 0 HG SER A 39 9.028 9.803 1.331 1.00 0.00 H new ATOM 539 N CYS A 40 7.891 9.598 -3.197 1.00 0.00 N ATOM 540 CA CYS A 40 8.769 9.262 -4.312 1.00 0.00 C ATOM 541 C CYS A 40 8.833 10.399 -5.327 1.00 0.00 C ATOM 542 O CYS A 40 7.861 11.123 -5.534 1.00 0.00 O ATOM 543 CB CYS A 40 8.308 7.977 -4.998 1.00 0.00 C ATOM 544 SG CYS A 40 9.497 7.319 -6.182 1.00 0.00 S ATOM 0 H CYS A 40 7.046 9.029 -3.139 1.00 0.00 H new ATOM 0 HA CYS A 40 9.769 9.106 -3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.110 7.221 -4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.366 8.168 -5.511 1.00 0.00 H new ATOM 0 HG CYS A 40 10.615 7.054 -5.573 1.00 0.00 H new ATOM 550 N ASP A 41 9.991 10.545 -5.957 1.00 0.00 N ATOM 551 CA ASP A 41 10.206 11.596 -6.944 1.00 0.00 C ATOM 552 C ASP A 41 10.946 11.039 -8.155 1.00 0.00 C ATOM 553 O ASP A 41 11.948 11.597 -8.599 1.00 0.00 O ATOM 554 CB ASP A 41 10.998 12.755 -6.332 1.00 0.00 C ATOM 555 CG ASP A 41 10.823 14.049 -7.104 1.00 0.00 C ATOM 556 OD1 ASP A 41 9.844 14.154 -7.873 1.00 0.00 O ATOM 557 OD2 ASP A 41 11.664 14.958 -6.938 1.00 0.00 O ATOM 0 H ASP A 41 10.801 9.945 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 41 9.234 11.971 -7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.678 12.905 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.056 12.493 -6.303 1.00 0.00 H new ATOM 562 N GLY A 42 10.448 9.923 -8.672 1.00 0.00 N ATOM 563 CA GLY A 42 11.058 9.297 -9.833 1.00 0.00 C ATOM 564 C GLY A 42 12.099 8.249 -9.477 1.00 0.00 C ATOM 565 O GLY A 42 12.559 7.516 -10.351 1.00 0.00 O ATOM 0 H GLY A 42 9.629 9.437 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.279 8.833 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 42 11.524 10.067 -10.449 1.00 0.00 H new ATOM 569 N ALA A 43 12.477 8.181 -8.198 1.00 0.00 N ATOM 570 CA ALA A 43 13.468 7.201 -7.745 1.00 0.00 C ATOM 571 C ALA A 43 12.964 5.774 -7.947 1.00 0.00 C ATOM 572 O ALA A 43 13.705 4.897 -8.386 1.00 0.00 O ATOM 573 CB ALA A 43 13.816 7.440 -6.282 1.00 0.00 C ATOM 0 H ALA A 43 12.115 8.788 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 43 14.368 7.327 -8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.553 6.705 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.228 8.442 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 43 12.917 7.344 -5.674 1.00 0.00 H new ATOM 579 N LEU A 44 11.694 5.553 -7.620 1.00 0.00 N ATOM 580 CA LEU A 44 11.068 4.243 -7.790 1.00 0.00 C ATOM 581 C LEU A 44 9.850 4.384 -8.692 1.00 0.00 C ATOM 582 O LEU A 44 9.509 3.481 -9.454 1.00 0.00 O ATOM 583 CB LEU A 44 10.635 3.636 -6.441 1.00 0.00 C ATOM 584 CG LEU A 44 11.756 2.995 -5.605 1.00 0.00 C ATOM 585 CD1 LEU A 44 12.737 2.241 -6.493 1.00 0.00 C ATOM 586 CD2 LEU A 44 12.482 4.051 -4.784 1.00 0.00 C ATOM 0 H LEU A 44 11.075 6.266 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 44 11.802 3.574 -8.239 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.166 4.419 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.873 2.881 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 44 11.299 2.279 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.519 1.798 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.209 1.454 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.186 2.931 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.271 3.578 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.920 4.793 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.776 4.539 -4.112 1.00 0.00 H new ATOM 598 N GLY A 45 9.207 5.541 -8.595 1.00 0.00 N ATOM 599 CA GLY A 45 8.026 5.816 -9.380 1.00 0.00 C ATOM 600 C GLY A 45 6.769 5.371 -8.668 1.00 0.00 C ATOM 601 O GLY A 45 6.587 4.178 -8.426 1.00 0.00 O ATOM 0 H GLY A 45 9.490 6.301 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.968 6.884 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.100 5.307 -10.341 1.00 0.00 H new ATOM 605 N TRP A 46 5.908 6.323 -8.306 1.00 0.00 N ATOM 606 CA TRP A 46 4.648 5.991 -7.634 1.00 0.00 C ATOM 607 C TRP A 46 3.844 4.988 -8.464 1.00 0.00 C ATOM 608 O TRP A 46 3.285 4.029 -7.928 1.00 0.00 O ATOM 609 CB TRP A 46 3.822 7.258 -7.362 1.00 0.00 C ATOM 610 CG TRP A 46 3.859 8.260 -8.482 1.00 0.00 C ATOM 611 CD1 TRP A 46 3.031 8.310 -9.564 1.00 0.00 C ATOM 612 CD2 TRP A 46 4.764 9.361 -8.618 1.00 0.00 C ATOM 613 NE1 TRP A 46 3.378 9.363 -10.375 1.00 0.00 N ATOM 614 CE2 TRP A 46 4.435 10.025 -9.814 1.00 0.00 C ATOM 615 CE3 TRP A 46 5.823 9.847 -7.848 1.00 0.00 C ATOM 616 CZ2 TRP A 46 5.127 11.148 -10.255 1.00 0.00 C ATOM 617 CZ3 TRP A 46 6.507 10.963 -8.287 1.00 0.00 C ATOM 618 CH2 TRP A 46 6.158 11.604 -9.482 1.00 0.00 C ATOM 0 H TRP A 46 6.056 7.320 -8.464 1.00 0.00 H new ATOM 0 HA TRP A 46 4.885 5.531 -6.675 1.00 0.00 H new ATOM 0 HB2 TRP A 46 2.787 6.972 -7.177 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.190 7.731 -6.452 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.221 7.622 -9.756 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.922 9.611 -11.253 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.102 9.359 -6.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.859 11.643 -11.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 7.326 11.349 -7.698 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.713 12.474 -9.799 1.00 0.00 H new ATOM 629 N ARG A 47 3.773 5.223 -9.774 1.00 0.00 N ATOM 630 CA ARG A 47 3.075 4.318 -10.682 1.00 0.00 C ATOM 631 C ARG A 47 3.970 3.166 -11.130 1.00 0.00 C ATOM 632 O ARG A 47 3.533 2.314 -11.887 1.00 0.00 O ATOM 633 CB ARG A 47 2.528 5.044 -11.922 1.00 0.00 C ATOM 634 CG ARG A 47 3.331 6.257 -12.373 1.00 0.00 C ATOM 635 CD ARG A 47 4.681 5.870 -12.956 1.00 0.00 C ATOM 636 NE ARG A 47 5.582 7.016 -13.046 1.00 0.00 N ATOM 637 CZ ARG A 47 6.822 6.945 -13.523 1.00 0.00 C ATOM 638 NH1 ARG A 47 7.573 8.037 -13.584 1.00 0.00 N ATOM 639 NH2 ARG A 47 7.307 5.783 -13.942 1.00 0.00 N ATOM 0 H ARG A 47 4.192 6.034 -10.229 1.00 0.00 H new ATOM 0 HA ARG A 47 2.234 3.918 -10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.480 4.333 -12.747 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.506 5.362 -11.715 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.761 6.811 -13.119 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.482 6.926 -11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.136 5.097 -12.336 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.539 5.441 -13.948 1.00 0.00 H new ATOM 0 HE ARG A 47 5.241 7.922 -12.725 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.200 8.931 -13.265 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.524 7.982 -13.950 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.729 4.944 -13.898 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.258 5.729 -14.308 1.00 0.00 H new ATOM 653 N GLY A 48 5.217 3.142 -10.665 1.00 0.00 N ATOM 654 CA GLY A 48 6.147 2.100 -11.082 1.00 0.00 C ATOM 655 C GLY A 48 5.663 0.702 -10.761 1.00 0.00 C ATOM 656 O GLY A 48 5.692 -0.177 -11.621 1.00 0.00 O ATOM 0 H GLY A 48 5.601 3.822 -10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.315 2.181 -12.156 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.108 2.265 -10.596 1.00 0.00 H new ATOM 660 N LEU A 49 5.223 0.486 -9.528 1.00 0.00 N ATOM 661 CA LEU A 49 4.724 -0.823 -9.131 1.00 0.00 C ATOM 662 C LEU A 49 3.352 -1.100 -9.742 1.00 0.00 C ATOM 663 O LEU A 49 3.079 -2.206 -10.207 1.00 0.00 O ATOM 664 CB LEU A 49 4.653 -0.933 -7.609 1.00 0.00 C ATOM 665 CG LEU A 49 5.997 -0.828 -6.886 1.00 0.00 C ATOM 666 CD1 LEU A 49 5.792 -0.914 -5.386 1.00 0.00 C ATOM 667 CD2 LEU A 49 6.947 -1.916 -7.357 1.00 0.00 C ATOM 0 H LEU A 49 5.201 1.193 -8.793 1.00 0.00 H new ATOM 0 HA LEU A 49 5.422 -1.571 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.995 -0.149 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.193 -1.887 -7.351 1.00 0.00 H new ATOM 0 HG LEU A 49 6.443 0.138 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.756 -0.838 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.147 -0.098 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.326 -1.867 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.897 -1.823 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.512 -2.894 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.115 -1.813 -8.429 1.00 0.00 H new ATOM 679 N ALA A 50 2.494 -0.079 -9.736 1.00 0.00 N ATOM 680 CA ALA A 50 1.141 -0.207 -10.277 1.00 0.00 C ATOM 681 C ALA A 50 1.119 -0.493 -11.771 1.00 0.00 C ATOM 682 O ALA A 50 0.358 -1.343 -12.229 1.00 0.00 O ATOM 683 CB ALA A 50 0.356 1.058 -10.008 1.00 0.00 C ATOM 0 H ALA A 50 2.712 0.845 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 50 0.687 -1.060 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.650 0.955 -10.414 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.298 1.229 -8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.854 1.903 -10.483 1.00 0.00 H new ATOM 689 N GLU A 51 1.966 0.209 -12.518 1.00 0.00 N ATOM 690 CA GLU A 51 2.026 0.071 -13.968 1.00 0.00 C ATOM 691 C GLU A 51 2.392 -1.354 -14.384 1.00 0.00 C ATOM 692 O GLU A 51 1.799 -1.907 -15.311 1.00 0.00 O ATOM 693 CB GLU A 51 3.037 1.076 -14.544 1.00 0.00 C ATOM 694 CG GLU A 51 3.156 1.036 -16.063 1.00 0.00 C ATOM 695 CD GLU A 51 4.147 2.051 -16.604 1.00 0.00 C ATOM 696 OE1 GLU A 51 4.752 2.784 -15.793 1.00 0.00 O ATOM 697 OE2 GLU A 51 4.317 2.111 -17.840 1.00 0.00 O ATOM 0 H GLU A 51 2.627 0.886 -12.137 1.00 0.00 H new ATOM 0 HA GLU A 51 1.036 0.284 -14.371 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.748 2.082 -14.239 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.017 0.880 -14.108 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.462 0.037 -16.372 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.177 1.221 -16.504 1.00 0.00 H new ATOM 704 N ARG A 52 3.385 -1.937 -13.715 1.00 0.00 N ATOM 705 CA ARG A 52 3.808 -3.301 -14.020 1.00 0.00 C ATOM 706 C ARG A 52 2.735 -4.323 -13.642 1.00 0.00 C ATOM 707 O ARG A 52 2.508 -5.290 -14.369 1.00 0.00 O ATOM 708 CB ARG A 52 5.117 -3.637 -13.299 1.00 0.00 C ATOM 709 CG ARG A 52 6.330 -2.927 -13.874 1.00 0.00 C ATOM 710 CD ARG A 52 7.572 -3.170 -13.031 1.00 0.00 C ATOM 711 NE ARG A 52 8.771 -2.597 -13.643 1.00 0.00 N ATOM 712 CZ ARG A 52 9.106 -1.311 -13.562 1.00 0.00 C ATOM 713 NH1 ARG A 52 10.226 -0.882 -14.131 1.00 0.00 N ATOM 714 NH2 ARG A 52 8.322 -0.455 -12.921 1.00 0.00 N ATOM 0 H ARG A 52 3.908 -1.489 -12.963 1.00 0.00 H new ATOM 0 HA ARG A 52 3.967 -3.355 -15.097 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.019 -3.375 -12.246 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.281 -4.714 -13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.507 -3.274 -14.892 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.132 -1.857 -13.932 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.428 -2.737 -12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.712 -4.242 -12.893 1.00 0.00 H new ATOM 0 HE ARG A 52 9.388 -3.221 -14.163 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.828 -1.537 -14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.484 0.103 -14.070 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.458 -0.781 -12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.583 0.529 -12.862 1.00 0.00 H new ATOM 851 N ASP A 61 -4.086 9.185 -15.156 1.00 0.00 N ATOM 852 CA ASP A 61 -4.849 10.393 -14.855 1.00 0.00 C ATOM 853 C ASP A 61 -5.232 10.451 -13.383 1.00 0.00 C ATOM 854 O ASP A 61 -5.046 11.479 -12.729 1.00 0.00 O ATOM 855 CB ASP A 61 -6.101 10.451 -15.739 1.00 0.00 C ATOM 856 CG ASP A 61 -6.929 11.700 -15.512 1.00 0.00 C ATOM 857 OD1 ASP A 61 -6.656 12.720 -16.177 1.00 0.00 O ATOM 858 OD2 ASP A 61 -7.852 11.656 -14.674 1.00 0.00 O ATOM 0 HA ASP A 61 -4.221 11.258 -15.068 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.802 10.405 -16.786 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.717 9.573 -15.545 1.00 0.00 H new ATOM 863 N HIS A 62 -5.758 9.350 -12.857 1.00 0.00 N ATOM 864 CA HIS A 62 -6.147 9.304 -11.458 1.00 0.00 C ATOM 865 C HIS A 62 -4.940 9.103 -10.538 1.00 0.00 C ATOM 866 O HIS A 62 -5.016 9.395 -9.343 1.00 0.00 O ATOM 867 CB HIS A 62 -7.205 8.221 -11.213 1.00 0.00 C ATOM 868 CG HIS A 62 -6.773 6.820 -11.531 1.00 0.00 C ATOM 869 ND1 HIS A 62 -5.952 5.986 -10.846 1.00 0.00 N flip ATOM 870 CD2 HIS A 62 -7.198 6.116 -12.636 1.00 0.00 C flip ATOM 871 CE1 HIS A 62 -5.875 4.769 -11.518 1.00 0.00 C flip ATOM 872 NE2 HIS A 62 -6.641 4.898 -12.584 1.00 0.00 N flip ATOM 0 H HIS A 62 -5.922 8.487 -13.375 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.587 10.271 -11.215 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.508 8.262 -10.167 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.087 8.456 -11.809 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.861 6.480 -13.406 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.306 3.899 -11.227 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.790 4.166 -13.279 1.00 0.00 H new ATOM 879 N ILE A 63 -3.827 8.616 -11.096 1.00 0.00 N ATOM 880 CA ILE A 63 -2.602 8.402 -10.322 1.00 0.00 C ATOM 881 C ILE A 63 -2.086 9.730 -9.758 1.00 0.00 C ATOM 882 O ILE A 63 -1.619 9.804 -8.620 1.00 0.00 O ATOM 883 CB ILE A 63 -1.507 7.690 -11.155 1.00 0.00 C ATOM 884 CG1 ILE A 63 -1.902 6.228 -11.394 1.00 0.00 C ATOM 885 CG2 ILE A 63 -0.154 7.762 -10.461 1.00 0.00 C ATOM 886 CD1 ILE A 63 -1.054 5.523 -12.431 1.00 0.00 C ATOM 0 H ILE A 63 -3.750 8.363 -12.081 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.849 7.743 -9.490 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.420 8.201 -12.114 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.832 5.685 -10.452 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.946 6.191 -11.706 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.594 7.254 -11.069 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.133 8.805 -10.330 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.219 7.278 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.396 4.494 -12.542 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.143 6.040 -13.386 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.012 5.526 -12.112 1.00 0.00 H new ATOM 898 N GLU A 64 -2.146 10.774 -10.566 1.00 0.00 N ATOM 899 CA GLU A 64 -1.724 12.099 -10.128 1.00 0.00 C ATOM 900 C GLU A 64 -2.697 12.670 -9.088 1.00 0.00 C ATOM 901 O GLU A 64 -2.297 13.398 -8.181 1.00 0.00 O ATOM 902 CB GLU A 64 -1.619 13.050 -11.322 1.00 0.00 C ATOM 903 CG GLU A 64 -0.460 12.737 -12.255 1.00 0.00 C ATOM 904 CD GLU A 64 -0.484 13.567 -13.520 1.00 0.00 C ATOM 905 OE1 GLU A 64 -1.558 14.106 -13.863 1.00 0.00 O ATOM 906 OE2 GLU A 64 0.579 13.692 -14.168 1.00 0.00 O ATOM 0 H GLU A 64 -2.482 10.733 -11.528 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.742 12.002 -9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.550 13.012 -11.888 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.512 14.070 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.480 12.910 -11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.488 11.680 -12.519 1.00 0.00 H new ATOM 913 N LYS A 65 -3.977 12.341 -9.243 1.00 0.00 N ATOM 914 CA LYS A 65 -5.036 12.846 -8.362 1.00 0.00 C ATOM 915 C LYS A 65 -4.914 12.435 -6.883 1.00 0.00 C ATOM 916 O LYS A 65 -5.030 13.288 -6.002 1.00 0.00 O ATOM 917 CB LYS A 65 -6.391 12.381 -8.900 1.00 0.00 C ATOM 918 CG LYS A 65 -6.799 13.065 -10.197 1.00 0.00 C ATOM 919 CD LYS A 65 -8.129 12.540 -10.713 1.00 0.00 C ATOM 920 CE LYS A 65 -8.550 13.257 -11.986 1.00 0.00 C ATOM 921 NZ LYS A 65 -9.840 12.739 -12.515 1.00 0.00 N ATOM 0 H LYS A 65 -4.312 11.719 -9.979 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.936 13.931 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.358 11.304 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.155 12.566 -8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.870 14.141 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.028 12.907 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.050 11.470 -10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.895 12.671 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.642 14.325 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.774 13.139 -12.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.666 12.198 -13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.283 12.121 -11.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.475 13.536 -12.724 1.00 0.00 H new ATOM 935 N GLU A 66 -4.680 11.152 -6.589 1.00 0.00 N ATOM 936 CA GLU A 66 -4.602 10.722 -5.184 1.00 0.00 C ATOM 937 C GLU A 66 -3.192 10.809 -4.604 1.00 0.00 C ATOM 938 O GLU A 66 -3.004 10.532 -3.424 1.00 0.00 O ATOM 939 CB GLU A 66 -5.168 9.306 -4.963 1.00 0.00 C ATOM 940 CG GLU A 66 -6.554 9.094 -5.561 1.00 0.00 C ATOM 941 CD GLU A 66 -7.604 10.019 -4.976 1.00 0.00 C ATOM 942 OE1 GLU A 66 -7.544 10.292 -3.758 1.00 0.00 O ATOM 943 OE2 GLU A 66 -8.484 10.473 -5.736 1.00 0.00 O ATOM 0 H GLU A 66 -4.545 10.412 -7.278 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.229 11.433 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.481 8.579 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.210 9.105 -3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.505 9.246 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.859 8.060 -5.399 1.00 0.00 H new ATOM 950 N VAL A 67 -2.195 11.164 -5.418 1.00 0.00 N ATOM 951 CA VAL A 67 -0.818 11.262 -4.918 1.00 0.00 C ATOM 952 C VAL A 67 -0.731 12.246 -3.742 1.00 0.00 C ATOM 953 O VAL A 67 0.083 12.076 -2.837 1.00 0.00 O ATOM 954 CB VAL A 67 0.184 11.659 -6.035 1.00 0.00 C ATOM 955 CG1 VAL A 67 0.108 13.144 -6.361 1.00 0.00 C ATOM 956 CG2 VAL A 67 1.603 11.268 -5.647 1.00 0.00 C ATOM 0 H VAL A 67 -2.309 11.385 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.536 10.270 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.096 11.111 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.825 13.381 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.898 13.391 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.343 13.725 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.290 11.555 -6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.882 11.779 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.654 10.190 -5.494 1.00 0.00 H new ATOM 966 N ASP A 68 -1.596 13.260 -3.755 1.00 0.00 N ATOM 967 CA ASP A 68 -1.637 14.257 -2.686 1.00 0.00 C ATOM 968 C ASP A 68 -2.571 13.803 -1.562 1.00 0.00 C ATOM 969 O ASP A 68 -2.682 14.455 -0.526 1.00 0.00 O ATOM 970 CB ASP A 68 -2.109 15.603 -3.238 1.00 0.00 C ATOM 971 CG ASP A 68 -1.665 16.772 -2.381 1.00 0.00 C ATOM 972 OD1 ASP A 68 -0.551 16.708 -1.819 1.00 0.00 O ATOM 973 OD2 ASP A 68 -2.431 17.752 -2.274 1.00 0.00 O ATOM 0 H ASP A 68 -2.280 13.413 -4.496 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.631 14.368 -2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.724 15.732 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.197 15.601 -3.309 1.00 0.00 H new ATOM 978 N GLN A 69 -3.246 12.679 -1.788 1.00 0.00 N ATOM 979 CA GLN A 69 -4.196 12.126 -0.826 1.00 0.00 C ATOM 980 C GLN A 69 -3.666 10.846 -0.177 1.00 0.00 C ATOM 981 O GLN A 69 -4.441 10.031 0.322 1.00 0.00 O ATOM 982 CB GLN A 69 -5.541 11.845 -1.503 1.00 0.00 C ATOM 983 CG GLN A 69 -6.204 13.080 -2.099 1.00 0.00 C ATOM 984 CD GLN A 69 -6.501 14.146 -1.061 1.00 0.00 C ATOM 985 OE1 GLN A 69 -7.196 13.895 -0.078 1.00 0.00 O ATOM 986 NE2 GLN A 69 -5.974 15.344 -1.273 1.00 0.00 N ATOM 0 H GLN A 69 -3.151 12.127 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.334 12.870 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.392 11.108 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.217 11.398 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.556 13.499 -2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.133 12.788 -2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.403 15.511 -2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.140 16.099 -0.607 1.00 0.00 H new ATOM 995 N GLY A 70 -2.347 10.672 -0.175 1.00 0.00 N ATOM 996 CA GLY A 70 -1.765 9.484 0.425 1.00 0.00 C ATOM 997 C GLY A 70 -1.274 8.446 -0.572 1.00 0.00 C ATOM 998 O GLY A 70 -0.994 7.318 -0.166 1.00 0.00 O ATOM 0 H GLY A 70 -1.675 11.327 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.930 9.785 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.507 9.021 1.076 1.00 0.00 H new ATOM 1002 N LYS A 71 -1.209 8.838 -1.866 1.00 0.00 N ATOM 1003 CA LYS A 71 -0.710 8.002 -2.988 1.00 0.00 C ATOM 1004 C LYS A 71 -1.850 7.497 -3.867 1.00 0.00 C ATOM 1005 O LYS A 71 -2.963 7.261 -3.402 1.00 0.00 O ATOM 1006 CB LYS A 71 0.146 6.814 -2.521 1.00 0.00 C ATOM 1007 CG LYS A 71 0.328 5.711 -3.561 1.00 0.00 C ATOM 1008 CD LYS A 71 1.543 5.961 -4.444 1.00 0.00 C ATOM 1009 CE LYS A 71 2.747 5.236 -3.912 1.00 0.00 C ATOM 1010 NZ LYS A 71 2.881 5.410 -2.444 1.00 0.00 N ATOM 0 H LYS A 71 -1.508 9.765 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.070 8.660 -3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.128 7.184 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.310 6.383 -1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.436 4.751 -3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.565 5.646 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.333 5.630 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.749 7.030 -4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.668 4.175 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.645 5.607 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.649 4.804 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.099 6.404 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.989 5.144 -1.980 1.00 0.00 H new ATOM 1024 N SER A 72 -1.557 7.349 -5.155 1.00 0.00 N ATOM 1025 CA SER A 72 -2.524 6.849 -6.117 1.00 0.00 C ATOM 1026 C SER A 72 -1.910 5.765 -6.983 1.00 0.00 C ATOM 1027 O SER A 72 -2.616 4.929 -7.527 1.00 0.00 O ATOM 1028 CB SER A 72 -3.020 7.972 -6.995 1.00 0.00 C ATOM 1029 OG SER A 72 -4.297 7.670 -7.530 1.00 0.00 O ATOM 0 H SER A 72 -0.646 7.572 -5.557 1.00 0.00 H new ATOM 0 HA SER A 72 -3.362 6.427 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.072 8.895 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.313 8.144 -7.806 1.00 0.00 H new ATOM 0 HG SER A 72 -4.626 8.436 -8.045 1.00 0.00 H new ATOM 1035 N GLY A 73 -0.595 5.796 -7.147 1.00 0.00 N ATOM 1036 CA GLY A 73 0.037 4.769 -7.944 1.00 0.00 C ATOM 1037 C GLY A 73 -0.237 3.393 -7.373 1.00 0.00 C ATOM 1038 O GLY A 73 -0.963 2.602 -7.966 1.00 0.00 O ATOM 0 H GLY A 73 0.032 6.497 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.331 4.821 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.112 4.943 -7.982 1.00 0.00 H new ATOM 1042 N THR A 74 0.297 3.129 -6.195 1.00 0.00 N ATOM 1043 CA THR A 74 0.093 1.845 -5.553 1.00 0.00 C ATOM 1044 C THR A 74 -1.192 1.821 -4.716 1.00 0.00 C ATOM 1045 O THR A 74 -1.921 0.829 -4.721 1.00 0.00 O ATOM 1046 CB THR A 74 1.299 1.472 -4.665 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.512 1.606 -5.418 1.00 0.00 O ATOM 1048 CG2 THR A 74 1.182 0.041 -4.159 1.00 0.00 C ATOM 0 H THR A 74 0.873 3.784 -5.666 1.00 0.00 H new ATOM 0 HA THR A 74 -0.006 1.107 -6.349 1.00 0.00 H new ATOM 0 HB THR A 74 1.313 2.146 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.176 0.966 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.044 -0.196 -3.536 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.270 -0.064 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.148 -0.643 -5.007 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.471 2.923 -4.011 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.644 3.001 -3.133 1.00 0.00 C ATOM 1058 C ARG A 75 -3.956 2.836 -3.893 1.00 0.00 C ATOM 1059 O ARG A 75 -4.815 2.055 -3.486 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.680 4.336 -2.386 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.740 4.383 -1.296 1.00 0.00 C ATOM 1062 CD ARG A 75 -3.736 5.709 -0.556 1.00 0.00 C ATOM 1063 NE ARG A 75 -4.721 5.738 0.523 1.00 0.00 N ATOM 1064 CZ ARG A 75 -6.007 6.038 0.348 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -6.839 6.019 1.380 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -6.456 6.362 -0.858 1.00 0.00 N ATOM 0 H ARG A 75 -0.903 3.770 -4.031 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.546 2.176 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.702 4.523 -1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.865 5.139 -3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.722 4.218 -1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.568 3.572 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.743 5.892 -0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.944 6.516 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.405 5.515 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.494 5.775 2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.824 6.249 1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.816 6.381 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.441 6.592 -0.991 1.00 0.00 H new ATOM 1080 N GLU A 76 -4.104 3.561 -4.999 1.00 0.00 N ATOM 1081 CA GLU A 76 -5.333 3.500 -5.785 1.00 0.00 C ATOM 1082 C GLU A 76 -5.565 2.091 -6.322 1.00 0.00 C ATOM 1083 O GLU A 76 -6.686 1.586 -6.287 1.00 0.00 O ATOM 1084 CB GLU A 76 -5.290 4.509 -6.942 1.00 0.00 C ATOM 1085 CG GLU A 76 -6.556 4.539 -7.778 1.00 0.00 C ATOM 1086 CD GLU A 76 -7.768 5.033 -7.008 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -7.582 5.704 -5.970 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -8.902 4.750 -7.444 1.00 0.00 O ATOM 0 H GLU A 76 -3.394 4.193 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.164 3.760 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.110 5.505 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.445 4.271 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.397 5.181 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.758 3.537 -8.157 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.501 1.465 -6.816 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.589 0.113 -7.357 1.00 0.00 C ATOM 1097 C LEU A 77 -4.988 -0.900 -6.280 1.00 0.00 C ATOM 1098 O LEU A 77 -5.857 -1.743 -6.506 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.253 -0.286 -7.996 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.212 -1.688 -8.612 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.240 -1.817 -9.727 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.820 -1.989 -9.139 1.00 0.00 C ATOM 0 H LEU A 77 -3.567 1.873 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.367 0.107 -8.120 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.009 0.440 -8.771 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.472 -0.218 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.458 -2.413 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.194 -2.820 -10.150 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.237 -1.639 -9.325 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.026 -1.085 -10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.804 -2.988 -9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.553 -1.257 -9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.102 -1.938 -8.320 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.354 -0.815 -5.109 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.660 -1.732 -4.009 1.00 0.00 C ATOM 1116 C LEU A 78 -6.079 -1.498 -3.470 1.00 0.00 C ATOM 1117 O LEU A 78 -6.803 -2.445 -3.165 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.609 -1.608 -2.886 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.185 -2.012 -3.282 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.236 -1.866 -2.105 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.156 -3.435 -3.823 1.00 0.00 C ATOM 0 H LEU A 78 -3.631 -0.127 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.620 -2.750 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.593 -0.576 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.924 -2.225 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.852 -1.341 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.231 -2.158 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.227 -0.828 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.568 -2.507 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.135 -3.699 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.516 -4.123 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.797 -3.503 -4.702 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.481 -0.232 -3.389 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.811 0.142 -2.887 1.00 0.00 C ATOM 1135 C TRP A 79 -8.922 -0.062 -3.921 1.00 0.00 C ATOM 1136 O TRP A 79 -10.098 0.118 -3.605 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.816 1.595 -2.407 1.00 0.00 C ATOM 1138 CG TRP A 79 -7.265 1.774 -1.026 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -5.958 1.942 -0.677 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.014 1.821 0.194 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -5.845 2.083 0.686 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -7.094 2.012 1.242 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -9.373 1.717 0.503 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -7.490 2.103 2.575 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -9.766 1.806 1.823 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.827 1.999 2.846 1.00 0.00 C ATOM 0 H TRP A 79 -5.903 0.562 -3.666 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.020 -0.526 -2.051 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -7.234 2.200 -3.102 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.838 1.974 -2.433 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -5.131 1.962 -1.371 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -4.974 2.218 1.199 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.104 1.569 -0.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.768 2.250 3.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.814 1.726 2.072 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.166 2.067 3.869 1.00 0.00 H new ATOM 1157 N SER A 80 -8.555 -0.415 -5.152 1.00 0.00 N ATOM 1158 CA SER A 80 -9.534 -0.610 -6.226 1.00 0.00 C ATOM 1159 C SER A 80 -10.565 -1.693 -5.894 1.00 0.00 C ATOM 1160 O SER A 80 -11.743 -1.545 -6.218 1.00 0.00 O ATOM 1161 CB SER A 80 -8.832 -0.959 -7.538 1.00 0.00 C ATOM 1162 OG SER A 80 -8.078 0.137 -8.028 1.00 0.00 O ATOM 0 H SER A 80 -7.587 -0.572 -5.433 1.00 0.00 H new ATOM 0 HA SER A 80 -10.068 0.334 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.175 -1.815 -7.384 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.572 -1.255 -8.281 1.00 0.00 H new ATOM 0 HG SER A 80 -7.659 0.607 -7.277 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.132 -2.787 -5.271 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.058 -3.864 -4.926 1.00 0.00 C ATOM 1170 C TRP A 81 -11.736 -3.601 -3.577 1.00 0.00 C ATOM 1171 O TRP A 81 -12.800 -2.987 -3.518 1.00 0.00 O ATOM 1172 CB TRP A 81 -10.322 -5.209 -4.899 1.00 0.00 C ATOM 1173 CG TRP A 81 -10.119 -5.800 -6.261 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -8.960 -5.814 -6.982 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -11.100 -6.466 -7.063 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -9.162 -6.450 -8.185 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -10.468 -6.857 -8.258 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -12.455 -6.770 -6.887 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -11.142 -7.537 -9.271 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -13.122 -7.444 -7.893 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -12.466 -7.820 -9.072 1.00 0.00 C ATOM 0 H TRP A 81 -9.163 -2.951 -4.998 1.00 0.00 H new ATOM 0 HA TRP A 81 -11.834 -3.900 -5.691 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -9.352 -5.075 -4.420 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -10.886 -5.912 -4.286 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.022 -5.388 -6.656 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -8.455 -6.595 -8.905 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -12.970 -6.483 -5.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -10.638 -7.830 -10.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -14.167 -7.685 -7.768 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.016 -8.344 -9.840 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.123 -4.079 -2.497 1.00 0.00 N ATOM 1193 CA ALA A 82 -11.661 -3.866 -1.155 1.00 0.00 C ATOM 1194 C ALA A 82 -10.792 -2.861 -0.407 1.00 0.00 C ATOM 1195 O ALA A 82 -11.068 -1.663 -0.399 1.00 0.00 O ATOM 1196 CB ALA A 82 -11.746 -5.185 -0.396 1.00 0.00 C ATOM 0 H ALA A 82 -10.256 -4.615 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.671 -3.463 -1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.149 -5.006 0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.399 -5.872 -0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.751 -5.621 -0.312 1.00 0.00 H new ATOM 1202 N GLN A 83 -9.744 -3.371 0.229 1.00 0.00 N ATOM 1203 CA GLN A 83 -8.790 -2.535 0.942 1.00 0.00 C ATOM 1204 C GLN A 83 -7.474 -2.579 0.178 1.00 0.00 C ATOM 1205 O GLN A 83 -6.936 -1.552 -0.229 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.597 -3.036 2.377 1.00 0.00 C ATOM 1207 CG GLN A 83 -9.879 -3.070 3.198 1.00 0.00 C ATOM 1208 CD GLN A 83 -10.487 -1.696 3.402 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -9.871 -0.821 4.008 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -11.698 -1.498 2.899 1.00 0.00 N ATOM 0 H GLN A 83 -9.534 -4.368 0.264 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.158 -1.511 1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.170 -4.039 2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.872 -2.396 2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.606 -3.713 2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.670 -3.517 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.174 -2.252 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -12.154 -0.592 3.008 1.00 0.00 H new ATOM 1219 N LYS A 84 -6.958 -3.793 0.009 1.00 0.00 N ATOM 1220 CA LYS A 84 -5.753 -4.021 -0.776 1.00 0.00 C ATOM 1221 C LYS A 84 -5.999 -5.201 -1.723 1.00 0.00 C ATOM 1222 O LYS A 84 -5.637 -5.157 -2.899 1.00 0.00 O ATOM 1223 CB LYS A 84 -4.540 -4.280 0.137 1.00 0.00 C ATOM 1224 CG LYS A 84 -3.401 -5.025 -0.546 1.00 0.00 C ATOM 1225 CD LYS A 84 -2.151 -5.085 0.317 1.00 0.00 C ATOM 1226 CE LYS A 84 -2.425 -5.746 1.654 1.00 0.00 C ATOM 1227 NZ LYS A 84 -3.034 -7.095 1.486 1.00 0.00 N ATOM 0 H LYS A 84 -7.361 -4.640 0.410 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.525 -3.131 -1.362 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.166 -3.325 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.867 -4.853 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.724 -6.038 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.164 -4.535 -1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.372 -5.636 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.773 -4.076 0.480 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.494 -5.834 2.214 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.092 -5.116 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.993 -7.095 1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.082 -7.331 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.452 -7.802 1.979 1.00 0.00 H new ATOM 1241 N ASN A 85 -6.642 -6.247 -1.177 1.00 0.00 N ATOM 1242 CA ASN A 85 -7.008 -7.468 -1.918 1.00 0.00 C ATOM 1243 C ASN A 85 -5.829 -8.038 -2.709 1.00 0.00 C ATOM 1244 O ASN A 85 -6.004 -8.627 -3.775 1.00 0.00 O ATOM 1245 CB ASN A 85 -8.187 -7.197 -2.857 1.00 0.00 C ATOM 1246 CG ASN A 85 -8.941 -8.467 -3.212 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -9.156 -9.330 -2.361 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -9.344 -8.590 -4.470 1.00 0.00 N ATOM 0 H ASN A 85 -6.926 -6.270 -0.198 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.301 -8.213 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.870 -6.491 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.822 -6.726 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.853 -9.424 -4.763 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.145 -7.851 -5.144 1.00 0.00 H new ATOM 1255 N LYS A 86 -4.632 -7.873 -2.171 1.00 0.00 N ATOM 1256 CA LYS A 86 -3.423 -8.359 -2.817 1.00 0.00 C ATOM 1257 C LYS A 86 -2.493 -8.950 -1.773 1.00 0.00 C ATOM 1258 O LYS A 86 -2.237 -8.323 -0.750 1.00 0.00 O ATOM 1259 CB LYS A 86 -2.714 -7.213 -3.550 1.00 0.00 C ATOM 1260 CG LYS A 86 -2.683 -7.367 -5.066 1.00 0.00 C ATOM 1261 CD LYS A 86 -4.011 -6.982 -5.698 1.00 0.00 C ATOM 1262 CE LYS A 86 -4.306 -7.820 -6.931 1.00 0.00 C ATOM 1263 NZ LYS A 86 -3.189 -7.780 -7.916 1.00 0.00 N ATOM 0 H LYS A 86 -4.471 -7.402 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.693 -9.126 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.210 -6.275 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.691 -7.139 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.889 -6.744 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.444 -8.399 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.812 -7.110 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.993 -5.927 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.488 -8.852 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.219 -7.459 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.506 -8.190 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.895 -6.794 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.384 -8.328 -7.551 1.00 0.00 H new ATOM 1277 N THR A 87 -1.994 -10.153 -2.008 1.00 0.00 N ATOM 1278 CA THR A 87 -1.096 -10.767 -1.046 1.00 0.00 C ATOM 1279 C THR A 87 0.326 -10.243 -1.218 1.00 0.00 C ATOM 1280 O THR A 87 0.686 -9.714 -2.276 1.00 0.00 O ATOM 1281 CB THR A 87 -1.099 -12.303 -1.148 1.00 0.00 C ATOM 1282 OG1 THR A 87 -0.558 -12.720 -2.409 1.00 0.00 O ATOM 1283 CG2 THR A 87 -2.510 -12.854 -0.991 1.00 0.00 C ATOM 0 H THR A 87 -2.190 -10.713 -2.838 1.00 0.00 H new ATOM 0 HA THR A 87 -1.463 -10.495 -0.056 1.00 0.00 H new ATOM 0 HB THR A 87 -0.478 -12.695 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.564 -13.699 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.487 -13.941 -1.067 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.907 -12.567 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.148 -12.449 -1.777 1.00 0.00 H new ATOM 1291 N ILE A 88 1.132 -10.404 -0.171 1.00 0.00 N ATOM 1292 CA ILE A 88 2.515 -9.944 -0.180 1.00 0.00 C ATOM 1293 C ILE A 88 3.317 -10.633 -1.290 1.00 0.00 C ATOM 1294 O ILE A 88 4.144 -10.002 -1.947 1.00 0.00 O ATOM 1295 CB ILE A 88 3.169 -10.155 1.218 1.00 0.00 C ATOM 1296 CG1 ILE A 88 3.032 -8.877 2.055 1.00 0.00 C ATOM 1297 CG2 ILE A 88 4.631 -10.569 1.111 1.00 0.00 C ATOM 1298 CD1 ILE A 88 1.613 -8.569 2.480 1.00 0.00 C ATOM 0 H ILE A 88 0.847 -10.853 0.699 1.00 0.00 H new ATOM 0 HA ILE A 88 2.522 -8.875 -0.393 1.00 0.00 H new ATOM 0 HB ILE A 88 2.641 -10.971 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.655 -8.969 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.419 -8.035 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.045 -10.705 2.110 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.704 -11.505 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.191 -9.794 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.600 -7.651 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.988 -8.443 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.227 -9.391 3.083 1.00 0.00 H new ATOM 1310 N GLY A 89 3.048 -11.919 -1.503 1.00 0.00 N ATOM 1311 CA GLY A 89 3.736 -12.668 -2.546 1.00 0.00 C ATOM 1312 C GLY A 89 3.470 -12.122 -3.941 1.00 0.00 C ATOM 1313 O GLY A 89 4.371 -12.080 -4.780 1.00 0.00 O ATOM 0 H GLY A 89 2.365 -12.458 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.809 -12.649 -2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.423 -13.711 -2.504 1.00 0.00 H new ATOM 1317 N ASP A 90 2.224 -11.712 -4.188 1.00 0.00 N ATOM 1318 CA ASP A 90 1.828 -11.170 -5.492 1.00 0.00 C ATOM 1319 C ASP A 90 2.581 -9.883 -5.822 1.00 0.00 C ATOM 1320 O ASP A 90 3.069 -9.711 -6.941 1.00 0.00 O ATOM 1321 CB ASP A 90 0.319 -10.909 -5.521 1.00 0.00 C ATOM 1322 CG ASP A 90 -0.166 -10.461 -6.887 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -0.064 -11.258 -7.842 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -0.656 -9.316 -7.000 1.00 0.00 O ATOM 0 H ASP A 90 1.470 -11.745 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 90 2.084 -11.913 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.209 -11.817 -5.231 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.071 -10.146 -4.783 1.00 0.00 H new ATOM 1329 N LEU A 91 2.676 -8.980 -4.849 1.00 0.00 N ATOM 1330 CA LEU A 91 3.373 -7.706 -5.053 1.00 0.00 C ATOM 1331 C LEU A 91 4.891 -7.883 -4.984 1.00 0.00 C ATOM 1332 O LEU A 91 5.633 -7.088 -5.554 1.00 0.00 O ATOM 1333 CB LEU A 91 2.929 -6.662 -4.021 1.00 0.00 C ATOM 1334 CG LEU A 91 2.236 -5.408 -4.582 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.945 -4.902 -5.829 1.00 0.00 C ATOM 1336 CD2 LEU A 91 0.775 -5.699 -4.880 1.00 0.00 C ATOM 0 H LEU A 91 2.283 -9.102 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 91 3.108 -7.353 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.250 -7.143 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.805 -6.346 -3.454 1.00 0.00 H new ATOM 0 HG LEU A 91 2.288 -4.625 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.434 -4.015 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.977 -4.650 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.933 -5.678 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.299 -4.802 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.706 -6.501 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.270 -6.003 -3.963 1.00 0.00 H new ATOM 1348 N LEU A 92 5.339 -8.933 -4.300 1.00 0.00 N ATOM 1349 CA LEU A 92 6.770 -9.206 -4.147 1.00 0.00 C ATOM 1350 C LEU A 92 7.444 -9.383 -5.506 1.00 0.00 C ATOM 1351 O LEU A 92 8.553 -8.891 -5.721 1.00 0.00 O ATOM 1352 CB LEU A 92 6.985 -10.462 -3.293 1.00 0.00 C ATOM 1353 CG LEU A 92 8.445 -10.855 -3.055 1.00 0.00 C ATOM 1354 CD1 LEU A 92 9.187 -9.755 -2.308 1.00 0.00 C ATOM 1355 CD2 LEU A 92 8.524 -12.166 -2.288 1.00 0.00 C ATOM 0 H LEU A 92 4.732 -9.612 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 92 7.222 -8.350 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.506 -10.309 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.475 -11.298 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 92 8.924 -10.990 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.222 -10.057 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.162 -8.836 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.708 -9.583 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.569 -12.431 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.025 -12.055 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.034 -12.953 -2.861 1.00 0.00 H new ATOM 1367 N GLN A 93 6.769 -10.076 -6.415 1.00 0.00 N ATOM 1368 CA GLN A 93 7.298 -10.308 -7.758 1.00 0.00 C ATOM 1369 C GLN A 93 7.493 -8.979 -8.487 1.00 0.00 C ATOM 1370 O GLN A 93 8.493 -8.772 -9.176 1.00 0.00 O ATOM 1371 CB GLN A 93 6.335 -11.200 -8.538 1.00 0.00 C ATOM 1372 CG GLN A 93 6.269 -12.624 -8.014 1.00 0.00 C ATOM 1373 CD GLN A 93 5.155 -13.427 -8.650 1.00 0.00 C ATOM 1374 OE1 GLN A 93 5.300 -13.952 -9.752 1.00 0.00 O ATOM 1375 NE2 GLN A 93 4.024 -13.516 -7.958 1.00 0.00 N ATOM 0 H GLN A 93 5.851 -10.489 -6.248 1.00 0.00 H new ATOM 0 HA GLN A 93 8.265 -10.805 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.338 -10.762 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.638 -11.220 -9.585 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.221 -13.120 -8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.126 -12.603 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.947 -13.065 -7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.233 -14.036 -8.338 1.00 0.00 H new ATOM 1384 N VAL A 94 6.522 -8.082 -8.325 1.00 0.00 N ATOM 1385 CA VAL A 94 6.577 -6.758 -8.936 1.00 0.00 C ATOM 1386 C VAL A 94 7.693 -5.926 -8.294 1.00 0.00 C ATOM 1387 O VAL A 94 8.434 -5.216 -8.980 1.00 0.00 O ATOM 1388 CB VAL A 94 5.224 -6.023 -8.793 1.00 0.00 C ATOM 1389 CG1 VAL A 94 5.315 -4.591 -9.300 1.00 0.00 C ATOM 1390 CG2 VAL A 94 4.124 -6.784 -9.518 1.00 0.00 C ATOM 0 H VAL A 94 5.682 -8.251 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 94 6.788 -6.884 -9.998 1.00 0.00 H new ATOM 0 HB VAL A 94 4.975 -5.982 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.347 -4.102 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.066 -4.049 -8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.597 -4.595 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.179 -6.252 -9.406 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.373 -6.863 -10.576 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.031 -7.783 -9.091 1.00 0.00 H new ATOM 1400 N LEU A 95 7.800 -6.032 -6.970 1.00 0.00 N ATOM 1401 CA LEU A 95 8.816 -5.313 -6.198 1.00 0.00 C ATOM 1402 C LEU A 95 10.223 -5.702 -6.644 1.00 0.00 C ATOM 1403 O LEU A 95 11.114 -4.856 -6.714 1.00 0.00 O ATOM 1404 CB LEU A 95 8.658 -5.605 -4.700 1.00 0.00 C ATOM 1405 CG LEU A 95 7.831 -4.593 -3.899 1.00 0.00 C ATOM 1406 CD1 LEU A 95 6.491 -4.324 -4.561 1.00 0.00 C ATOM 1407 CD2 LEU A 95 7.620 -5.095 -2.479 1.00 0.00 C ATOM 0 H LEU A 95 7.187 -6.617 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 95 8.674 -4.247 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.199 -6.588 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.651 -5.665 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 95 8.386 -3.655 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.930 -3.602 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.653 -3.923 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.926 -5.254 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.031 -4.368 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.091 -6.048 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.586 -5.230 -1.993 1.00 0.00 H new ATOM 1419 N GLN A 96 10.413 -6.989 -6.934 1.00 0.00 N ATOM 1420 CA GLN A 96 11.710 -7.495 -7.380 1.00 0.00 C ATOM 1421 C GLN A 96 12.114 -6.862 -8.710 1.00 0.00 C ATOM 1422 O GLN A 96 13.279 -6.524 -8.912 1.00 0.00 O ATOM 1423 CB GLN A 96 11.668 -9.018 -7.519 1.00 0.00 C ATOM 1424 CG GLN A 96 11.578 -9.752 -6.188 1.00 0.00 C ATOM 1425 CD GLN A 96 11.325 -11.237 -6.357 1.00 0.00 C ATOM 1426 OE1 GLN A 96 10.692 -11.668 -7.320 1.00 0.00 O ATOM 1427 NE2 GLN A 96 11.820 -12.034 -5.419 1.00 0.00 N ATOM 0 H GLN A 96 9.685 -7.700 -6.868 1.00 0.00 H new ATOM 0 HA GLN A 96 12.453 -7.226 -6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 96 10.812 -9.294 -8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 96 12.561 -9.351 -8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 96 12.505 -9.606 -5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.777 -9.316 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.340 -11.638 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.681 -13.043 -5.481 1.00 0.00 H new ATOM 1436 N GLU A 97 11.145 -6.713 -9.614 1.00 0.00 N ATOM 1437 CA GLU A 97 11.401 -6.107 -10.919 1.00 0.00 C ATOM 1438 C GLU A 97 11.796 -4.638 -10.761 1.00 0.00 C ATOM 1439 O GLU A 97 12.714 -4.157 -11.428 1.00 0.00 O ATOM 1440 CB GLU A 97 10.162 -6.226 -11.820 1.00 0.00 C ATOM 1441 CG GLU A 97 10.363 -5.675 -13.226 1.00 0.00 C ATOM 1442 CD GLU A 97 11.395 -6.450 -14.029 1.00 0.00 C ATOM 1443 OE1 GLU A 97 11.678 -7.613 -13.672 1.00 0.00 O ATOM 1444 OE2 GLU A 97 11.917 -5.890 -15.017 1.00 0.00 O ATOM 0 H GLU A 97 10.178 -7.003 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 97 12.227 -6.642 -11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.876 -7.275 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.332 -5.699 -11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.411 -5.693 -13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.672 -4.632 -13.160 1.00 0.00 H new ATOM 1451 N MET A 98 11.084 -3.932 -9.883 1.00 0.00 N ATOM 1452 CA MET A 98 11.355 -2.520 -9.623 1.00 0.00 C ATOM 1453 C MET A 98 12.698 -2.336 -8.912 1.00 0.00 C ATOM 1454 O MET A 98 13.437 -1.394 -9.197 1.00 0.00 O ATOM 1455 CB MET A 98 10.222 -1.900 -8.800 1.00 0.00 C ATOM 1456 CG MET A 98 10.268 -0.379 -8.743 1.00 0.00 C ATOM 1457 SD MET A 98 10.201 0.377 -10.378 1.00 0.00 S ATOM 1458 CE MET A 98 11.799 1.183 -10.454 1.00 0.00 C ATOM 0 H MET A 98 10.313 -4.317 -9.338 1.00 0.00 H new ATOM 0 HA MET A 98 11.411 -2.006 -10.583 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.266 -2.210 -9.222 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.265 -2.294 -7.785 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.433 -0.016 -8.144 1.00 0.00 H new ATOM 0 HG3 MET A 98 11.182 -0.065 -8.239 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.782 1.952 -11.226 1.00 0.00 H new ATOM 0 HE2 MET A 98 12.022 1.641 -9.490 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.567 0.447 -10.692 1.00 0.00 H new ATOM 1468 N GLY A 99 13.009 -3.243 -7.989 1.00 0.00 N ATOM 1469 CA GLY A 99 14.266 -3.159 -7.262 1.00 0.00 C ATOM 1470 C GLY A 99 14.206 -2.241 -6.056 1.00 0.00 C ATOM 1471 O GLY A 99 15.227 -1.691 -5.641 1.00 0.00 O ATOM 0 H GLY A 99 12.416 -4.032 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.555 -4.158 -6.935 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.045 -2.807 -7.938 1.00 0.00 H new ATOM 1475 N HIS A 100 13.015 -2.064 -5.487 1.00 0.00 N ATOM 1476 CA HIS A 100 12.853 -1.203 -4.319 1.00 0.00 C ATOM 1477 C HIS A 100 13.338 -1.922 -3.055 1.00 0.00 C ATOM 1478 O HIS A 100 12.673 -2.824 -2.543 1.00 0.00 O ATOM 1479 CB HIS A 100 11.388 -0.780 -4.162 1.00 0.00 C ATOM 1480 CG HIS A 100 11.175 0.309 -3.154 1.00 0.00 C ATOM 1481 ND1 HIS A 100 9.949 0.622 -2.614 1.00 0.00 N ATOM 1482 CD2 HIS A 100 12.063 1.161 -2.581 1.00 0.00 C ATOM 1483 CE1 HIS A 100 10.124 1.630 -1.750 1.00 0.00 C ATOM 1484 NE2 HIS A 100 11.391 1.994 -1.694 1.00 0.00 N ATOM 0 H HIS A 100 12.154 -2.502 -5.814 1.00 0.00 H new ATOM 0 HA HIS A 100 13.457 -0.308 -4.464 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.011 -0.446 -5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.798 -1.650 -3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.124 1.187 -2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 100 9.332 2.085 -1.174 1.00 0.00 H new ATOM 0 HE2 HIS A 100 11.794 2.734 -1.119 1.00 0.00 H new ATOM 1491 N ARG A 101 14.500 -1.498 -2.566 1.00 0.00 N ATOM 1492 CA ARG A 101 15.123 -2.088 -1.381 1.00 0.00 C ATOM 1493 C ARG A 101 14.298 -1.898 -0.107 1.00 0.00 C ATOM 1494 O ARG A 101 14.175 -2.825 0.698 1.00 0.00 O ATOM 1495 CB ARG A 101 16.500 -1.465 -1.178 1.00 0.00 C ATOM 1496 CG ARG A 101 17.514 -1.866 -2.238 1.00 0.00 C ATOM 1497 CD ARG A 101 18.861 -1.201 -2.000 1.00 0.00 C ATOM 1498 NE ARG A 101 19.841 -1.558 -3.023 1.00 0.00 N ATOM 1499 CZ ARG A 101 20.575 -2.670 -2.994 1.00 0.00 C ATOM 1500 NH1 ARG A 101 21.440 -2.919 -3.966 1.00 0.00 N ATOM 1501 NH2 ARG A 101 20.444 -3.529 -1.991 1.00 0.00 N ATOM 0 H ARG A 101 15.038 -0.736 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 101 15.194 -3.161 -1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.401 -0.380 -1.175 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.879 -1.754 -0.198 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.636 -2.949 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.140 -1.590 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.732 -0.119 -1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.239 -1.491 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 101 19.971 -0.918 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.544 -2.259 -4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.002 -3.770 -3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.780 -3.339 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.007 -4.379 -1.971 1.00 0.00 H new ATOM 1515 N ARG A 102 13.740 -0.703 0.079 1.00 0.00 N ATOM 1516 CA ARG A 102 12.944 -0.408 1.271 1.00 0.00 C ATOM 1517 C ARG A 102 11.710 -1.300 1.337 1.00 0.00 C ATOM 1518 O ARG A 102 11.353 -1.810 2.404 1.00 0.00 O ATOM 1519 CB ARG A 102 12.530 1.066 1.306 1.00 0.00 C ATOM 1520 CG ARG A 102 11.735 1.449 2.547 1.00 0.00 C ATOM 1521 CD ARG A 102 12.568 1.309 3.816 1.00 0.00 C ATOM 1522 NE ARG A 102 13.714 2.216 3.826 1.00 0.00 N ATOM 1523 CZ ARG A 102 14.689 2.163 4.729 1.00 0.00 C ATOM 1524 NH1 ARG A 102 15.694 3.030 4.672 1.00 0.00 N ATOM 1525 NH2 ARG A 102 14.661 1.243 5.684 1.00 0.00 N ATOM 0 H ARG A 102 13.823 0.074 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 102 13.567 -0.612 2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.424 1.687 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.934 1.288 0.421 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.386 2.477 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.850 0.817 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.941 1.509 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.919 0.281 3.907 1.00 0.00 H new ATOM 0 HE ARG A 102 13.769 2.930 3.100 1.00 0.00 H new ATOM 0 HH11 ARG A 102 15.718 3.736 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 102 16.442 2.990 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 102 13.891 0.575 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 102 15.409 1.203 6.376 1.00 0.00 H new ATOM 1539 N ALA A 103 11.063 -1.482 0.191 1.00 0.00 N ATOM 1540 CA ALA A 103 9.868 -2.317 0.113 1.00 0.00 C ATOM 1541 C ALA A 103 10.194 -3.752 0.503 1.00 0.00 C ATOM 1542 O ALA A 103 9.431 -4.398 1.218 1.00 0.00 O ATOM 1543 CB ALA A 103 9.280 -2.271 -1.287 1.00 0.00 C ATOM 0 H ALA A 103 11.345 -1.064 -0.696 1.00 0.00 H new ATOM 0 HA ALA A 103 9.129 -1.927 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.390 -2.899 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.012 -1.244 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.016 -2.637 -2.003 1.00 0.00 H new ATOM 1549 N ILE A 104 11.336 -4.245 0.024 1.00 0.00 N ATOM 1550 CA ILE A 104 11.787 -5.597 0.337 1.00 0.00 C ATOM 1551 C ILE A 104 12.071 -5.731 1.837 1.00 0.00 C ATOM 1552 O ILE A 104 11.712 -6.726 2.463 1.00 0.00 O ATOM 1553 CB ILE A 104 13.052 -5.970 -0.476 1.00 0.00 C ATOM 1554 CG1 ILE A 104 12.707 -6.077 -1.963 1.00 0.00 C ATOM 1555 CG2 ILE A 104 13.656 -7.280 0.021 1.00 0.00 C ATOM 1556 CD1 ILE A 104 13.919 -6.173 -2.866 1.00 0.00 C ATOM 0 H ILE A 104 11.967 -3.724 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 104 10.989 -6.286 0.061 1.00 0.00 H new ATOM 0 HB ILE A 104 13.792 -5.182 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.079 -6.954 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.117 -5.207 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 104 14.542 -7.518 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 104 13.933 -7.178 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 104 12.925 -8.081 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.594 -6.246 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.537 -5.284 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 104 14.499 -7.058 -2.604 1.00 0.00 H new ATOM 1568 N HIS A 105 12.728 -4.720 2.396 1.00 0.00 N ATOM 1569 CA HIS A 105 13.063 -4.708 3.819 1.00 0.00 C ATOM 1570 C HIS A 105 11.803 -4.754 4.692 1.00 0.00 C ATOM 1571 O HIS A 105 11.711 -5.556 5.619 1.00 0.00 O ATOM 1572 CB HIS A 105 13.892 -3.456 4.143 1.00 0.00 C ATOM 1573 CG HIS A 105 14.292 -3.339 5.585 1.00 0.00 C ATOM 1574 ND1 HIS A 105 15.245 -4.131 6.184 1.00 0.00 N ATOM 1575 CD2 HIS A 105 13.852 -2.488 6.549 1.00 0.00 C ATOM 1576 CE1 HIS A 105 15.350 -3.750 7.465 1.00 0.00 C ATOM 1577 NE2 HIS A 105 14.527 -2.756 7.736 1.00 0.00 N ATOM 0 H HIS A 105 13.041 -3.895 1.885 1.00 0.00 H new ATOM 0 HA HIS A 105 13.650 -5.600 4.041 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.791 -3.460 3.527 1.00 0.00 H new ATOM 0 HB3 HIS A 105 13.319 -2.572 3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.099 -1.726 6.415 1.00 0.00 H new ATOM 0 HE1 HIS A 105 16.021 -4.199 8.182 1.00 0.00 H new ATOM 0 HE2 HIS A 105 14.409 -2.281 8.631 1.00 0.00 H new ATOM 1584 N LEU A 106 10.825 -3.905 4.378 1.00 0.00 N ATOM 1585 CA LEU A 106 9.585 -3.841 5.154 1.00 0.00 C ATOM 1586 C LEU A 106 8.622 -4.994 4.845 1.00 0.00 C ATOM 1587 O LEU A 106 7.794 -5.347 5.686 1.00 0.00 O ATOM 1588 CB LEU A 106 8.883 -2.500 4.919 1.00 0.00 C ATOM 1589 CG LEU A 106 8.650 -1.644 6.175 1.00 0.00 C ATOM 1590 CD1 LEU A 106 8.300 -2.511 7.375 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.875 -0.791 6.470 1.00 0.00 C ATOM 0 H LEU A 106 10.866 -3.253 3.594 1.00 0.00 H new ATOM 0 HA LEU A 106 9.868 -3.936 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.474 -1.920 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.919 -2.692 4.448 1.00 0.00 H new ATOM 0 HG LEU A 106 7.804 -0.985 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.141 -1.877 8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.390 -3.074 7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.117 -3.204 7.574 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.694 -0.191 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.737 -1.437 6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.072 -0.133 5.624 1.00 0.00 H new ATOM 1603 N ILE A 107 8.724 -5.579 3.651 1.00 0.00 N ATOM 1604 CA ILE A 107 7.834 -6.677 3.264 1.00 0.00 C ATOM 1605 C ILE A 107 8.047 -7.918 4.143 1.00 0.00 C ATOM 1606 O ILE A 107 7.169 -8.776 4.247 1.00 0.00 O ATOM 1607 CB ILE A 107 7.986 -7.045 1.762 1.00 0.00 C ATOM 1608 CG1 ILE A 107 6.691 -7.668 1.238 1.00 0.00 C ATOM 1609 CG2 ILE A 107 9.152 -7.999 1.535 1.00 0.00 C ATOM 1610 CD1 ILE A 107 6.628 -7.756 -0.271 1.00 0.00 C ATOM 0 H ILE A 107 9.407 -5.315 2.940 1.00 0.00 H new ATOM 0 HA ILE A 107 6.816 -6.320 3.421 1.00 0.00 H new ATOM 0 HB ILE A 107 8.193 -6.126 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.584 -8.669 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.845 -7.081 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.228 -8.234 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.077 -7.529 1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.986 -8.917 2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 107 5.682 -8.208 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.703 -6.756 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.453 -8.368 -0.635 1.00 0.00 H new ATOM 1622 N THR A 108 9.212 -7.998 4.785 1.00 0.00 N ATOM 1623 CA THR A 108 9.537 -9.127 5.654 1.00 0.00 C ATOM 1624 C THR A 108 8.801 -9.037 6.994 1.00 0.00 C ATOM 1625 O THR A 108 8.829 -9.976 7.788 1.00 0.00 O ATOM 1626 CB THR A 108 11.054 -9.221 5.922 1.00 0.00 C ATOM 1627 OG1 THR A 108 11.508 -8.060 6.630 1.00 0.00 O ATOM 1628 CG2 THR A 108 11.830 -9.362 4.619 1.00 0.00 C ATOM 0 H THR A 108 9.947 -7.293 4.719 1.00 0.00 H new ATOM 0 HA THR A 108 9.211 -10.023 5.126 1.00 0.00 H new ATOM 0 HB THR A 108 11.232 -10.107 6.531 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.486 -7.283 6.033 1.00 0.00 H new ATOM 0 HG21 THR A 108 12.896 -9.426 4.836 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.510 -10.266 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 108 11.640 -8.495 3.987 1.00 0.00 H new ATOM 1636 N ASN A 109 8.135 -7.907 7.236 1.00 0.00 N ATOM 1637 CA ASN A 109 7.401 -7.697 8.486 1.00 0.00 C ATOM 1638 C ASN A 109 5.970 -8.237 8.387 1.00 0.00 C ATOM 1639 O ASN A 109 5.105 -7.897 9.197 1.00 0.00 O ATOM 1640 CB ASN A 109 7.384 -6.206 8.840 1.00 0.00 C ATOM 1641 CG ASN A 109 7.196 -5.961 10.326 1.00 0.00 C ATOM 1642 OD1 ASN A 109 7.658 -6.740 11.157 1.00 0.00 O ATOM 1643 ND2 ASN A 109 6.524 -4.868 10.668 1.00 0.00 N ATOM 0 H ASN A 109 8.088 -7.124 6.584 1.00 0.00 H new ATOM 0 HA ASN A 109 7.912 -8.246 9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 109 8.319 -5.749 8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.581 -5.715 8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.375 -4.648 11.653 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.157 -4.248 9.946 1.00 0.00 H new ATOM 1650 N TYR A 110 5.723 -9.072 7.381 1.00 0.00 N ATOM 1651 CA TYR A 110 4.407 -9.676 7.183 1.00 0.00 C ATOM 1652 C TYR A 110 4.245 -10.916 8.061 1.00 0.00 C ATOM 1653 O TYR A 110 5.088 -11.816 8.047 1.00 0.00 O ATOM 1654 CB TYR A 110 4.207 -10.037 5.704 1.00 0.00 C ATOM 1655 CG TYR A 110 3.002 -10.918 5.430 1.00 0.00 C ATOM 1656 CD1 TYR A 110 1.705 -10.410 5.445 1.00 0.00 C ATOM 1657 CD2 TYR A 110 3.171 -12.270 5.155 1.00 0.00 C ATOM 1658 CE1 TYR A 110 0.620 -11.229 5.195 1.00 0.00 C ATOM 1659 CE2 TYR A 110 2.088 -13.091 4.904 1.00 0.00 C ATOM 1660 CZ TYR A 110 0.817 -12.564 4.928 1.00 0.00 C ATOM 1661 OH TYR A 110 -0.264 -13.377 4.678 1.00 0.00 O ATOM 0 H TYR A 110 6.419 -9.347 6.688 1.00 0.00 H new ATOM 0 HA TYR A 110 3.647 -8.951 7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 110 4.107 -9.117 5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.102 -10.544 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.545 -9.363 5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 110 4.167 -12.687 5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.380 -10.822 5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.238 -14.139 4.690 1.00 0.00 H new ATOM 0 HH TYR A 110 0.046 -14.291 4.507 1.00 0.00 H new