USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 775 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 65 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: B 13 ASN : amide:sc= -0.504 K(o=-0.5,f=-3.8!) USER MOD Set 2.1: A 80 CYS SG : rot -73:sc= 0.407 USER MOD Set 2.2: A 82 THR OG1 : rot 142:sc= 0.785 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.309 USER MOD Set 3.2: A 35 SER OG : rot 83:sc= 0.327 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -0.693 K(o=-0.69,f=-7.4!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= 1.09 F(o=-0.012,f=1.1) USER MOD Single : A 38 MET CE :methyl -163:sc= -0.0112 (180deg=-0.56) USER MOD Single : A 41 THR OG1 : rot -60:sc= 1.41 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 59 TYR OH : rot 169:sc= 1.22 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.917 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.3) USER MOD Single : A 73 SER OG : rot 34:sc= 0.183 USER MOD Single : A 76 SER OG : rot -162:sc= 0.153 USER MOD Single : A 81 GLN : amide:sc= 0.475 K(o=0.48,f=-3.6!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.0371 USER MOD Single : A 92 SER OG : rot -29:sc= 0.105 USER MOD Single : A 99 ASN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 102 GLN : amide:sc= 0.805 K(o=0.8,f=0) USER MOD Single : A 105 MET CE :methyl 172:sc= -0.0226 (180deg=-0.13) USER MOD Single : B 6 HIS : no HD1:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD Single : B 9 CYS SG : rot 160:sc= -0.0348 USER MOD Single : B 11 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 17 -4.032 -16.392 -6.225 1.00 0.00 N ATOM 203 CA HIS A 17 -3.639 -15.515 -7.339 1.00 0.00 C ATOM 204 C HIS A 17 -2.930 -14.221 -6.849 1.00 0.00 C ATOM 205 O HIS A 17 -3.388 -13.625 -5.865 1.00 0.00 O ATOM 206 CB HIS A 17 -4.880 -15.159 -8.172 1.00 0.00 C ATOM 207 CG HIS A 17 -4.544 -14.592 -9.516 1.00 0.00 C ATOM 208 ND1 HIS A 17 -4.205 -13.263 -9.756 1.00 0.00 N ATOM 209 CD2 HIS A 17 -4.400 -15.307 -10.664 1.00 0.00 C ATOM 210 CE1 HIS A 17 -3.865 -13.208 -11.055 1.00 0.00 C ATOM 211 NE2 HIS A 17 -3.990 -14.418 -11.632 1.00 0.00 N ATOM 0 HA HIS A 17 -2.921 -16.058 -7.954 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.490 -16.053 -8.304 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.485 -14.438 -7.622 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.573 -16.365 -10.791 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.536 -12.315 -11.566 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.812 -14.637 -12.612 1.00 0.00 H new ATOM 219 N PRO A 18 -1.850 -13.757 -7.514 1.00 0.00 N ATOM 220 CA PRO A 18 -1.081 -12.593 -7.077 1.00 0.00 C ATOM 221 C PRO A 18 -1.837 -11.253 -7.128 1.00 0.00 C ATOM 222 O PRO A 18 -1.366 -10.306 -6.498 1.00 0.00 O ATOM 223 CB PRO A 18 0.176 -12.568 -7.957 1.00 0.00 C ATOM 224 CG PRO A 18 -0.252 -13.320 -9.215 1.00 0.00 C ATOM 225 CD PRO A 18 -1.186 -14.384 -8.650 1.00 0.00 C ATOM 0 HA PRO A 18 -0.849 -12.699 -6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.485 -11.548 -8.185 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.019 -13.055 -7.466 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.760 -12.668 -9.926 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.598 -13.760 -9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.910 -14.708 -9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.630 -15.269 -8.340 1.00 0.00 H new ATOM 233 N THR A 19 -2.987 -11.150 -7.822 1.00 0.00 N ATOM 234 CA THR A 19 -3.778 -9.904 -7.904 1.00 0.00 C ATOM 235 C THR A 19 -5.256 -10.069 -7.555 1.00 0.00 C ATOM 236 O THR A 19 -5.891 -9.072 -7.210 1.00 0.00 O ATOM 237 CB THR A 19 -3.632 -9.224 -9.271 1.00 0.00 C ATOM 238 OG1 THR A 19 -4.178 -10.041 -10.281 1.00 0.00 O ATOM 239 CG2 THR A 19 -2.169 -8.956 -9.624 1.00 0.00 C ATOM 0 H THR A 19 -3.395 -11.927 -8.342 1.00 0.00 H new ATOM 0 HA THR A 19 -3.351 -9.261 -7.135 1.00 0.00 H new ATOM 0 HB THR A 19 -4.163 -8.274 -9.208 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.081 -9.597 -11.149 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.113 -8.474 -10.600 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.727 -8.304 -8.871 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.623 -9.899 -9.653 1.00 0.00 H new ATOM 247 N LYS A 20 -5.799 -11.295 -7.572 1.00 0.00 N ATOM 248 CA LYS A 20 -7.178 -11.581 -7.135 1.00 0.00 C ATOM 249 C LYS A 20 -7.188 -12.445 -5.860 1.00 0.00 C ATOM 250 O LYS A 20 -6.834 -13.625 -5.886 1.00 0.00 O ATOM 251 CB LYS A 20 -7.981 -12.251 -8.273 1.00 0.00 C ATOM 252 CG LYS A 20 -8.611 -11.277 -9.276 1.00 0.00 C ATOM 253 CD LYS A 20 -7.625 -10.678 -10.290 1.00 0.00 C ATOM 254 CE LYS A 20 -6.873 -11.694 -11.156 1.00 0.00 C ATOM 255 NZ LYS A 20 -7.761 -12.404 -12.115 1.00 0.00 N ATOM 0 H LYS A 20 -5.293 -12.122 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.662 -10.635 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.321 -12.930 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.772 -12.858 -7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.401 -11.796 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.084 -10.464 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.172 -10.001 -10.946 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.895 -10.076 -9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.086 -11.181 -11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.386 -12.424 -10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.200 -13.078 -12.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.498 -12.918 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.207 -11.713 -12.752 1.00 0.00 H new ATOM 269 N PHE A 21 -7.652 -11.879 -4.747 1.00 0.00 N ATOM 270 CA PHE A 21 -7.724 -12.553 -3.454 1.00 0.00 C ATOM 271 C PHE A 21 -9.186 -12.863 -3.125 1.00 0.00 C ATOM 272 O PHE A 21 -9.990 -11.957 -2.913 1.00 0.00 O ATOM 273 CB PHE A 21 -7.053 -11.670 -2.391 1.00 0.00 C ATOM 274 CG PHE A 21 -5.567 -11.431 -2.618 1.00 0.00 C ATOM 275 CD1 PHE A 21 -4.618 -12.313 -2.067 1.00 0.00 C ATOM 276 CD2 PHE A 21 -5.129 -10.320 -3.368 1.00 0.00 C ATOM 277 CE1 PHE A 21 -3.241 -12.082 -2.246 1.00 0.00 C ATOM 278 CE2 PHE A 21 -3.754 -10.095 -3.558 1.00 0.00 C ATOM 279 CZ PHE A 21 -2.810 -10.971 -2.992 1.00 0.00 C ATOM 0 H PHE A 21 -7.995 -10.919 -4.720 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.190 -13.503 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.563 -10.707 -2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.189 -12.133 -1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.949 -13.173 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.851 -9.641 -3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.518 -12.756 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.422 -9.248 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.754 -10.790 -3.131 1.00 0.00 H new ATOM 289 N LYS A 22 -9.552 -14.145 -3.086 1.00 0.00 N ATOM 290 CA LYS A 22 -10.894 -14.576 -2.671 1.00 0.00 C ATOM 291 C LYS A 22 -11.112 -14.276 -1.173 1.00 0.00 C ATOM 292 O LYS A 22 -10.251 -14.575 -0.342 1.00 0.00 O ATOM 293 CB LYS A 22 -11.085 -16.059 -3.045 1.00 0.00 C ATOM 294 CG LYS A 22 -11.404 -16.174 -4.546 1.00 0.00 C ATOM 295 CD LYS A 22 -11.359 -17.613 -5.077 1.00 0.00 C ATOM 296 CE LYS A 22 -11.779 -17.660 -6.556 1.00 0.00 C ATOM 297 NZ LYS A 22 -13.255 -17.586 -6.734 1.00 0.00 N ATOM 0 H LYS A 22 -8.931 -14.914 -3.340 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.663 -14.013 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.182 -16.623 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.894 -16.492 -2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.395 -15.759 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.694 -15.567 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.352 -18.015 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.021 -18.245 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.310 -16.833 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.408 -18.581 -7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.485 -17.621 -7.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.704 -18.389 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.609 -16.696 -6.330 1.00 0.00 H new ATOM 311 N VAL A 23 -12.245 -13.653 -0.839 1.00 0.00 N ATOM 312 CA VAL A 23 -12.543 -13.079 0.489 1.00 0.00 C ATOM 313 C VAL A 23 -14.000 -13.330 0.884 1.00 0.00 C ATOM 314 O VAL A 23 -14.864 -13.423 0.015 1.00 0.00 O ATOM 315 CB VAL A 23 -12.273 -11.554 0.539 1.00 0.00 C ATOM 316 CG1 VAL A 23 -10.777 -11.206 0.520 1.00 0.00 C ATOM 317 CG2 VAL A 23 -12.998 -10.752 -0.556 1.00 0.00 C ATOM 0 H VAL A 23 -13.009 -13.527 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.877 -13.578 1.193 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.690 -11.254 1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.655 -10.124 0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.288 -11.656 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -10.325 -11.591 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.757 -9.694 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.677 -11.103 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.075 -10.890 -0.456 1.00 0.00 H new ATOM 327 N THR A 24 -14.287 -13.393 2.189 1.00 0.00 N ATOM 328 CA THR A 24 -15.651 -13.541 2.722 1.00 0.00 C ATOM 329 C THR A 24 -15.880 -12.494 3.799 1.00 0.00 C ATOM 330 O THR A 24 -15.174 -12.476 4.800 1.00 0.00 O ATOM 331 CB THR A 24 -15.869 -14.965 3.239 1.00 0.00 C ATOM 332 OG1 THR A 24 -15.746 -15.848 2.142 1.00 0.00 O ATOM 333 CG2 THR A 24 -17.267 -15.166 3.823 1.00 0.00 C ATOM 0 H THR A 24 -13.572 -13.342 2.915 1.00 0.00 H new ATOM 0 HA THR A 24 -16.383 -13.378 1.931 1.00 0.00 H new ATOM 0 HB THR A 24 -15.135 -15.152 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 24 -15.880 -16.770 2.447 1.00 0.00 H new ATOM 0 HG21 THR A 24 -17.370 -16.192 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 24 -17.415 -14.480 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 24 -18.014 -14.970 3.054 1.00 0.00 H new ATOM 341 N ASN A 25 -16.848 -11.603 3.589 1.00 0.00 N ATOM 342 CA ASN A 25 -17.188 -10.529 4.525 1.00 0.00 C ATOM 343 C ASN A 25 -17.760 -11.108 5.830 1.00 0.00 C ATOM 344 O ASN A 25 -18.623 -11.992 5.782 1.00 0.00 O ATOM 345 CB ASN A 25 -18.172 -9.566 3.833 1.00 0.00 C ATOM 346 CG ASN A 25 -18.463 -8.298 4.637 1.00 0.00 C ATOM 347 OD1 ASN A 25 -17.452 -7.567 5.065 1.00 0.00 O flip ATOM 348 ND2 ASN A 25 -19.610 -7.938 4.871 1.00 0.00 N flip ATOM 0 H ASN A 25 -17.428 -11.606 2.750 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.293 -9.971 4.801 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.767 -9.284 2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.109 -10.091 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.397 -8.498 4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.778 -7.078 5.394 1.00 0.00 H new ATOM 355 N VAL A 26 -17.290 -10.614 6.981 1.00 0.00 N ATOM 356 CA VAL A 26 -17.684 -11.111 8.311 1.00 0.00 C ATOM 357 C VAL A 26 -18.168 -9.996 9.239 1.00 0.00 C ATOM 358 O VAL A 26 -17.806 -8.831 9.072 1.00 0.00 O ATOM 359 CB VAL A 26 -16.575 -11.937 9.008 1.00 0.00 C ATOM 360 CG1 VAL A 26 -16.185 -13.181 8.195 1.00 0.00 C ATOM 361 CG2 VAL A 26 -15.303 -11.133 9.325 1.00 0.00 C ATOM 0 H VAL A 26 -16.617 -9.848 7.019 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.522 -11.781 8.117 1.00 0.00 H new ATOM 0 HB VAL A 26 -17.022 -12.239 9.955 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.404 -13.730 8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -17.058 -13.822 8.070 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.816 -12.875 7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.575 -11.781 9.812 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.880 -10.742 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.552 -10.305 9.988 1.00 0.00 H new ATOM 371 N ASP A 27 -18.998 -10.371 10.217 1.00 0.00 N ATOM 372 CA ASP A 27 -19.553 -9.466 11.232 1.00 0.00 C ATOM 373 C ASP A 27 -18.640 -9.285 12.471 1.00 0.00 C ATOM 374 O ASP A 27 -17.485 -9.716 12.488 1.00 0.00 O ATOM 375 CB ASP A 27 -20.952 -9.972 11.623 1.00 0.00 C ATOM 376 CG ASP A 27 -20.902 -11.027 12.728 1.00 0.00 C ATOM 377 OD1 ASP A 27 -20.064 -11.954 12.632 1.00 0.00 O ATOM 378 OD2 ASP A 27 -21.626 -10.861 13.732 1.00 0.00 O ATOM 0 H ASP A 27 -19.311 -11.335 10.329 1.00 0.00 H new ATOM 0 HA ASP A 27 -19.622 -8.470 10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -21.560 -9.131 11.955 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -21.442 -10.392 10.745 1.00 0.00 H new ATOM 383 N ASP A 28 -19.176 -8.675 13.536 1.00 0.00 N ATOM 384 CA ASP A 28 -18.475 -8.444 14.807 1.00 0.00 C ATOM 385 C ASP A 28 -18.274 -9.729 15.646 1.00 0.00 C ATOM 386 O ASP A 28 -17.375 -9.779 16.488 1.00 0.00 O ATOM 387 CB ASP A 28 -19.257 -7.379 15.591 1.00 0.00 C ATOM 388 CG ASP A 28 -18.499 -6.818 16.807 1.00 0.00 C ATOM 389 OD1 ASP A 28 -17.319 -6.418 16.662 1.00 0.00 O ATOM 390 OD2 ASP A 28 -19.125 -6.703 17.887 1.00 0.00 O ATOM 0 H ASP A 28 -20.132 -8.320 13.538 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.466 -8.097 14.586 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -19.506 -6.557 14.919 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -20.199 -7.810 15.930 1.00 0.00 H new ATOM 395 N GLU A 29 -19.061 -10.782 15.390 1.00 0.00 N ATOM 396 CA GLU A 29 -18.880 -12.128 15.958 1.00 0.00 C ATOM 397 C GLU A 29 -17.876 -12.975 15.153 1.00 0.00 C ATOM 398 O GLU A 29 -17.415 -14.015 15.636 1.00 0.00 O ATOM 399 CB GLU A 29 -20.221 -12.883 15.998 1.00 0.00 C ATOM 400 CG GLU A 29 -21.311 -12.208 16.838 1.00 0.00 C ATOM 401 CD GLU A 29 -21.189 -12.575 18.326 1.00 0.00 C ATOM 402 OE1 GLU A 29 -21.790 -13.593 18.752 1.00 0.00 O ATOM 403 OE2 GLU A 29 -20.504 -11.850 19.084 1.00 0.00 O ATOM 0 H GLU A 29 -19.864 -10.721 14.765 1.00 0.00 H new ATOM 0 HA GLU A 29 -18.489 -11.984 16.965 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -20.587 -13.000 14.978 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -20.047 -13.885 16.391 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -21.242 -11.126 16.723 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -22.292 -12.506 16.469 1.00 0.00 H new ATOM 410 N GLY A 30 -17.546 -12.560 13.921 1.00 0.00 N ATOM 411 CA GLY A 30 -16.708 -13.303 12.978 1.00 0.00 C ATOM 412 C GLY A 30 -17.460 -14.357 12.154 1.00 0.00 C ATOM 413 O GLY A 30 -16.798 -15.215 11.569 1.00 0.00 O ATOM 0 H GLY A 30 -17.867 -11.668 13.545 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.235 -12.596 12.296 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.908 -13.795 13.532 1.00 0.00 H new ATOM 417 N VAL A 31 -18.798 -14.316 12.080 1.00 0.00 N ATOM 418 CA VAL A 31 -19.576 -15.208 11.197 1.00 0.00 C ATOM 419 C VAL A 31 -19.568 -14.718 9.754 1.00 0.00 C ATOM 420 O VAL A 31 -19.473 -13.522 9.485 1.00 0.00 O ATOM 421 CB VAL A 31 -21.039 -15.469 11.619 1.00 0.00 C ATOM 422 CG1 VAL A 31 -21.086 -16.337 12.880 1.00 0.00 C ATOM 423 CG2 VAL A 31 -21.928 -14.234 11.766 1.00 0.00 C ATOM 0 H VAL A 31 -19.371 -13.671 12.624 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.054 -16.160 11.292 1.00 0.00 H new ATOM 0 HB VAL A 31 -21.476 -16.004 10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -22.124 -16.511 13.163 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -20.599 -17.292 12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.569 -15.827 13.692 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.930 -14.541 12.065 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -21.509 -13.573 12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.979 -13.707 10.813 1.00 0.00 H new ATOM 433 N GLU A 32 -19.686 -15.672 8.833 1.00 0.00 N ATOM 434 CA GLU A 32 -19.583 -15.458 7.390 1.00 0.00 C ATOM 435 C GLU A 32 -20.940 -15.073 6.785 1.00 0.00 C ATOM 436 O GLU A 32 -21.944 -15.759 7.000 1.00 0.00 O ATOM 437 CB GLU A 32 -19.038 -16.735 6.725 1.00 0.00 C ATOM 438 CG GLU A 32 -17.588 -17.050 7.124 1.00 0.00 C ATOM 439 CD GLU A 32 -17.177 -18.449 6.638 1.00 0.00 C ATOM 440 OE1 GLU A 32 -17.442 -19.442 7.356 1.00 0.00 O ATOM 441 OE2 GLU A 32 -16.581 -18.568 5.542 1.00 0.00 O ATOM 0 H GLU A 32 -19.862 -16.647 9.078 1.00 0.00 H new ATOM 0 HA GLU A 32 -18.898 -14.631 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -19.674 -17.578 6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.095 -16.626 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.919 -16.302 6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.484 -16.992 8.207 1.00 0.00 H new ATOM 448 N LEU A 33 -20.961 -13.969 6.029 1.00 0.00 N ATOM 449 CA LEU A 33 -22.192 -13.328 5.546 1.00 0.00 C ATOM 450 C LEU A 33 -22.375 -13.484 4.032 1.00 0.00 C ATOM 451 O LEU A 33 -23.423 -13.936 3.567 1.00 0.00 O ATOM 452 CB LEU A 33 -22.149 -11.834 5.924 1.00 0.00 C ATOM 453 CG LEU A 33 -21.836 -11.528 7.403 1.00 0.00 C ATOM 454 CD1 LEU A 33 -21.802 -10.008 7.565 1.00 0.00 C ATOM 455 CD2 LEU A 33 -22.858 -12.165 8.353 1.00 0.00 C ATOM 0 H LEU A 33 -20.112 -13.488 5.731 1.00 0.00 H new ATOM 0 HA LEU A 33 -23.043 -13.820 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.400 -11.342 5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -23.112 -11.387 5.675 1.00 0.00 H new ATOM 0 HG LEU A 33 -20.872 -11.961 7.669 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -21.582 -9.758 8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -21.029 -9.591 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -22.770 -9.591 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -22.597 -11.923 9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -23.852 -11.778 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -22.852 -13.247 8.222 1.00 0.00 H new ATOM 467 N GLY A 34 -21.339 -13.114 3.275 1.00 0.00 N ATOM 468 CA GLY A 34 -21.278 -13.192 1.810 1.00 0.00 C ATOM 469 C GLY A 34 -19.845 -13.188 1.282 1.00 0.00 C ATOM 470 O GLY A 34 -18.949 -12.640 1.921 1.00 0.00 O ATOM 0 H GLY A 34 -20.483 -12.736 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -21.782 -14.099 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -21.822 -12.350 1.382 1.00 0.00 H new ATOM 474 N SER A 35 -19.622 -13.789 0.116 1.00 0.00 N ATOM 475 CA SER A 35 -18.283 -14.012 -0.450 1.00 0.00 C ATOM 476 C SER A 35 -18.060 -13.255 -1.774 1.00 0.00 C ATOM 477 O SER A 35 -18.999 -12.993 -2.533 1.00 0.00 O ATOM 478 CB SER A 35 -18.038 -15.519 -0.597 1.00 0.00 C ATOM 479 OG SER A 35 -16.663 -15.824 -0.767 1.00 0.00 O ATOM 0 H SER A 35 -20.374 -14.142 -0.476 1.00 0.00 H new ATOM 0 HA SER A 35 -17.548 -13.600 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.416 -16.035 0.286 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.600 -15.895 -1.452 1.00 0.00 H new ATOM 0 HG SER A 35 -16.226 -15.864 0.109 1.00 0.00 H new ATOM 485 N GLY A 36 -16.804 -12.870 -2.020 1.00 0.00 N ATOM 486 CA GLY A 36 -16.356 -11.963 -3.080 1.00 0.00 C ATOM 487 C GLY A 36 -14.902 -12.175 -3.493 1.00 0.00 C ATOM 488 O GLY A 36 -14.168 -12.944 -2.865 1.00 0.00 O ATOM 0 H GLY A 36 -16.027 -13.204 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.995 -12.094 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.483 -10.934 -2.744 1.00 0.00 H new ATOM 492 N VAL A 37 -14.472 -11.453 -4.528 1.00 0.00 N ATOM 493 CA VAL A 37 -13.056 -11.384 -4.930 1.00 0.00 C ATOM 494 C VAL A 37 -12.566 -9.955 -4.724 1.00 0.00 C ATOM 495 O VAL A 37 -13.096 -9.023 -5.322 1.00 0.00 O ATOM 496 CB VAL A 37 -12.832 -11.838 -6.391 1.00 0.00 C ATOM 497 CG1 VAL A 37 -11.338 -11.810 -6.750 1.00 0.00 C ATOM 498 CG2 VAL A 37 -13.372 -13.255 -6.641 1.00 0.00 C ATOM 0 H VAL A 37 -15.092 -10.896 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 37 -12.484 -12.074 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.379 -11.137 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.206 -12.133 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.955 -10.796 -6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.792 -12.481 -6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.194 -13.534 -7.679 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.863 -13.960 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.443 -13.278 -6.438 1.00 0.00 H new ATOM 508 N MET A 38 -11.542 -9.793 -3.885 1.00 0.00 N ATOM 509 CA MET A 38 -10.839 -8.528 -3.691 1.00 0.00 C ATOM 510 C MET A 38 -9.727 -8.398 -4.732 1.00 0.00 C ATOM 511 O MET A 38 -8.934 -9.316 -4.941 1.00 0.00 O ATOM 512 CB MET A 38 -10.302 -8.439 -2.252 1.00 0.00 C ATOM 513 CG MET A 38 -9.756 -7.039 -1.946 1.00 0.00 C ATOM 514 SD MET A 38 -11.015 -5.732 -1.921 1.00 0.00 S ATOM 515 CE MET A 38 -11.544 -5.882 -0.198 1.00 0.00 C ATOM 0 H MET A 38 -11.173 -10.552 -3.312 1.00 0.00 H new ATOM 0 HA MET A 38 -11.526 -7.693 -3.831 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.098 -8.683 -1.549 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.514 -9.178 -2.109 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.254 -7.062 -0.979 1.00 0.00 H new ATOM 0 HG3 MET A 38 -9.002 -6.786 -2.691 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.504 -5.383 -0.067 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.645 -6.936 0.061 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.802 -5.418 0.452 1.00 0.00 H new ATOM 525 N GLU A 39 -9.678 -7.242 -5.381 1.00 0.00 N ATOM 526 CA GLU A 39 -8.731 -6.899 -6.432 1.00 0.00 C ATOM 527 C GLU A 39 -8.052 -5.576 -6.072 1.00 0.00 C ATOM 528 O GLU A 39 -8.711 -4.586 -5.727 1.00 0.00 O ATOM 529 CB GLU A 39 -9.470 -6.838 -7.777 1.00 0.00 C ATOM 530 CG GLU A 39 -8.538 -6.517 -8.953 1.00 0.00 C ATOM 531 CD GLU A 39 -9.291 -6.557 -10.291 1.00 0.00 C ATOM 532 OE1 GLU A 39 -10.322 -5.858 -10.429 1.00 0.00 O ATOM 533 OE2 GLU A 39 -8.855 -7.285 -11.213 1.00 0.00 O ATOM 0 H GLU A 39 -10.328 -6.483 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.952 -7.656 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.962 -7.793 -7.960 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.253 -6.081 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.097 -5.530 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.717 -7.233 -8.974 1.00 0.00 H new ATOM 540 N LEU A 40 -6.719 -5.597 -6.149 1.00 0.00 N ATOM 541 CA LEU A 40 -5.819 -4.475 -5.897 1.00 0.00 C ATOM 542 C LEU A 40 -5.301 -3.975 -7.253 1.00 0.00 C ATOM 543 O LEU A 40 -4.836 -4.773 -8.075 1.00 0.00 O ATOM 544 CB LEU A 40 -4.643 -4.931 -5.002 1.00 0.00 C ATOM 545 CG LEU A 40 -4.912 -5.109 -3.489 1.00 0.00 C ATOM 546 CD1 LEU A 40 -5.926 -6.217 -3.166 1.00 0.00 C ATOM 547 CD2 LEU A 40 -3.586 -5.441 -2.791 1.00 0.00 C ATOM 0 H LEU A 40 -6.213 -6.446 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.343 -3.672 -5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.276 -5.881 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.836 -4.207 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.342 -4.173 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.062 -6.282 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.880 -5.986 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.556 -7.170 -3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.759 -5.570 -1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.177 -6.362 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.878 -4.627 -2.948 1.00 0.00 H new ATOM 559 N THR A 41 -5.369 -2.660 -7.475 1.00 0.00 N ATOM 560 CA THR A 41 -4.917 -1.984 -8.708 1.00 0.00 C ATOM 561 C THR A 41 -4.024 -0.801 -8.350 1.00 0.00 C ATOM 562 O THR A 41 -3.947 -0.422 -7.187 1.00 0.00 O ATOM 563 CB THR A 41 -6.111 -1.539 -9.571 1.00 0.00 C ATOM 564 OG1 THR A 41 -6.768 -0.463 -8.944 1.00 0.00 O ATOM 565 CG2 THR A 41 -7.126 -2.656 -9.832 1.00 0.00 C ATOM 0 H THR A 41 -5.750 -2.012 -6.786 1.00 0.00 H new ATOM 0 HA THR A 41 -4.338 -2.692 -9.301 1.00 0.00 H new ATOM 0 HB THR A 41 -5.702 -1.245 -10.538 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.097 -0.748 -8.066 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.940 -2.271 -10.446 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.636 -3.479 -10.353 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.525 -3.014 -8.883 1.00 0.00 H new ATOM 573 N GLN A 42 -3.374 -0.169 -9.327 1.00 0.00 N ATOM 574 CA GLN A 42 -2.631 1.078 -9.078 1.00 0.00 C ATOM 575 C GLN A 42 -3.562 2.278 -8.795 1.00 0.00 C ATOM 576 O GLN A 42 -3.087 3.342 -8.399 1.00 0.00 O ATOM 577 CB GLN A 42 -1.675 1.365 -10.248 1.00 0.00 C ATOM 578 CG GLN A 42 -0.526 0.344 -10.327 1.00 0.00 C ATOM 579 CD GLN A 42 0.445 0.659 -11.469 1.00 0.00 C ATOM 580 OE1 GLN A 42 0.122 0.545 -12.646 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.666 1.065 -11.179 1.00 0.00 N ATOM 0 H GLN A 42 -3.343 -0.493 -10.294 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.042 0.936 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.235 1.352 -11.183 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.261 2.367 -10.138 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.017 0.335 -9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.938 -0.655 -10.467 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.952 1.166 -10.205 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.324 1.278 -11.929 1.00 0.00 H new ATOM 590 N SER A 43 -4.880 2.120 -8.954 1.00 0.00 N ATOM 591 CA SER A 43 -5.874 3.186 -8.765 1.00 0.00 C ATOM 592 C SER A 43 -6.628 3.089 -7.428 1.00 0.00 C ATOM 593 O SER A 43 -6.820 4.111 -6.765 1.00 0.00 O ATOM 594 CB SER A 43 -6.896 3.151 -9.914 1.00 0.00 C ATOM 595 OG SER A 43 -6.272 3.358 -11.178 1.00 0.00 O ATOM 0 H SER A 43 -5.296 1.229 -9.224 1.00 0.00 H new ATOM 0 HA SER A 43 -5.320 4.125 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.411 2.190 -9.915 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.653 3.918 -9.752 1.00 0.00 H new ATOM 0 HG SER A 43 -6.949 3.328 -11.886 1.00 0.00 H new ATOM 601 N GLU A 44 -7.058 1.883 -7.026 1.00 0.00 N ATOM 602 CA GLU A 44 -7.979 1.642 -5.903 1.00 0.00 C ATOM 603 C GLU A 44 -8.173 0.143 -5.588 1.00 0.00 C ATOM 604 O GLU A 44 -7.774 -0.732 -6.362 1.00 0.00 O ATOM 605 CB GLU A 44 -9.347 2.305 -6.195 1.00 0.00 C ATOM 606 CG GLU A 44 -10.108 1.731 -7.400 1.00 0.00 C ATOM 607 CD GLU A 44 -11.320 2.600 -7.779 1.00 0.00 C ATOM 608 OE1 GLU A 44 -12.008 3.140 -6.880 1.00 0.00 O ATOM 609 OE2 GLU A 44 -11.592 2.749 -8.994 1.00 0.00 O ATOM 0 H GLU A 44 -6.766 1.022 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.525 2.090 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.975 2.209 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.188 3.371 -6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.434 1.656 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.444 0.720 -7.169 1.00 0.00 H new ATOM 616 N LEU A 45 -8.840 -0.143 -4.464 1.00 0.00 N ATOM 617 CA LEU A 45 -9.341 -1.473 -4.102 1.00 0.00 C ATOM 618 C LEU A 45 -10.734 -1.697 -4.701 1.00 0.00 C ATOM 619 O LEU A 45 -11.556 -0.780 -4.688 1.00 0.00 O ATOM 620 CB LEU A 45 -9.427 -1.600 -2.565 1.00 0.00 C ATOM 621 CG LEU A 45 -8.164 -2.144 -1.885 1.00 0.00 C ATOM 622 CD1 LEU A 45 -8.354 -2.152 -0.365 1.00 0.00 C ATOM 623 CD2 LEU A 45 -7.859 -3.577 -2.329 1.00 0.00 C ATOM 0 H LEU A 45 -9.052 0.565 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.654 -2.222 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.652 -0.619 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.264 -2.252 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.336 -1.495 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.454 -2.539 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.541 -1.136 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.202 -2.786 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.958 -3.929 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.696 -4.225 -2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.705 -3.599 -3.408 1.00 0.00 H new ATOM 635 N VAL A 46 -11.005 -2.913 -5.183 1.00 0.00 N ATOM 636 CA VAL A 46 -12.292 -3.304 -5.796 1.00 0.00 C ATOM 637 C VAL A 46 -12.767 -4.672 -5.282 1.00 0.00 C ATOM 638 O VAL A 46 -12.012 -5.639 -5.330 1.00 0.00 O ATOM 639 CB VAL A 46 -12.172 -3.345 -7.343 1.00 0.00 C ATOM 640 CG1 VAL A 46 -13.499 -3.750 -8.014 1.00 0.00 C ATOM 641 CG2 VAL A 46 -11.715 -1.992 -7.925 1.00 0.00 C ATOM 0 H VAL A 46 -10.326 -3.674 -5.161 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.028 -2.552 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.416 -4.100 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.370 -3.766 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.793 -4.741 -7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.274 -3.030 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.645 -2.068 -9.010 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.437 -1.220 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.739 -1.731 -7.516 1.00 0.00 H new ATOM 651 N LEU A 47 -14.029 -4.762 -4.837 1.00 0.00 N ATOM 652 CA LEU A 47 -14.726 -6.022 -4.551 1.00 0.00 C ATOM 653 C LEU A 47 -15.649 -6.389 -5.708 1.00 0.00 C ATOM 654 O LEU A 47 -16.552 -5.632 -6.072 1.00 0.00 O ATOM 655 CB LEU A 47 -15.585 -5.940 -3.276 1.00 0.00 C ATOM 656 CG LEU A 47 -14.828 -6.153 -1.959 1.00 0.00 C ATOM 657 CD1 LEU A 47 -15.811 -5.955 -0.802 1.00 0.00 C ATOM 658 CD2 LEU A 47 -14.212 -7.550 -1.802 1.00 0.00 C ATOM 0 H LEU A 47 -14.606 -3.939 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.952 -6.776 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -16.067 -4.963 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -16.378 -6.684 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.007 -5.435 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -15.292 -6.102 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.218 -4.945 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.623 -6.677 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -13.696 -7.615 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.000 -8.302 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -13.502 -7.727 -2.609 1.00 0.00 H new ATOM 670 N HIS A 48 -15.461 -7.609 -6.197 1.00 0.00 N ATOM 671 CA HIS A 48 -16.335 -8.285 -7.153 1.00 0.00 C ATOM 672 C HIS A 48 -17.278 -9.262 -6.431 1.00 0.00 C ATOM 673 O HIS A 48 -16.819 -10.096 -5.643 1.00 0.00 O ATOM 674 CB HIS A 48 -15.473 -8.982 -8.213 1.00 0.00 C ATOM 675 CG HIS A 48 -14.607 -8.031 -8.996 1.00 0.00 C ATOM 676 ND1 HIS A 48 -15.058 -7.184 -10.011 1.00 0.00 N ATOM 677 CD2 HIS A 48 -13.264 -7.852 -8.827 1.00 0.00 C ATOM 678 CE1 HIS A 48 -13.970 -6.515 -10.430 1.00 0.00 C ATOM 679 NE2 HIS A 48 -12.880 -6.893 -9.740 1.00 0.00 N ATOM 0 H HIS A 48 -14.660 -8.181 -5.927 1.00 0.00 H new ATOM 0 HA HIS A 48 -16.971 -7.556 -7.656 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.839 -9.723 -7.726 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -16.123 -9.522 -8.902 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.628 -8.361 -8.118 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -13.971 -5.774 -11.215 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.934 -6.533 -9.869 1.00 0.00 H new ATOM 687 N LEU A 49 -18.583 -9.130 -6.696 1.00 0.00 N ATOM 688 CA LEU A 49 -19.699 -9.821 -6.032 1.00 0.00 C ATOM 689 C LEU A 49 -20.719 -10.306 -7.080 1.00 0.00 C ATOM 690 O LEU A 49 -20.775 -9.782 -8.194 1.00 0.00 O ATOM 691 CB LEU A 49 -20.370 -8.853 -5.025 1.00 0.00 C ATOM 692 CG LEU A 49 -19.469 -8.309 -3.893 1.00 0.00 C ATOM 693 CD1 LEU A 49 -20.218 -7.245 -3.080 1.00 0.00 C ATOM 694 CD2 LEU A 49 -19.010 -9.423 -2.945 1.00 0.00 C ATOM 0 H LEU A 49 -18.911 -8.498 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 49 -19.323 -10.691 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -20.771 -8.005 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -21.218 -9.366 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 49 -18.591 -7.871 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -19.571 -6.871 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -20.503 -6.421 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -21.113 -7.686 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -18.379 -8.999 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -19.881 -9.896 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -18.443 -10.167 -3.505 1.00 0.00 H new ATOM 786 N ALA A 54 -20.818 -3.888 -7.350 1.00 0.00 N ATOM 787 CA ALA A 54 -19.388 -3.820 -7.037 1.00 0.00 C ATOM 788 C ALA A 54 -19.057 -2.615 -6.134 1.00 0.00 C ATOM 789 O ALA A 54 -19.540 -1.501 -6.368 1.00 0.00 O ATOM 790 CB ALA A 54 -18.601 -3.779 -8.355 1.00 0.00 C ATOM 0 HA ALA A 54 -19.099 -4.706 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.534 -3.728 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.812 -4.679 -8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.898 -2.901 -8.929 1.00 0.00 H new ATOM 796 N VAL A 55 -18.198 -2.819 -5.132 1.00 0.00 N ATOM 797 CA VAL A 55 -17.861 -1.806 -4.109 1.00 0.00 C ATOM 798 C VAL A 55 -16.365 -1.512 -4.149 1.00 0.00 C ATOM 799 O VAL A 55 -15.558 -2.432 -4.254 1.00 0.00 O ATOM 800 CB VAL A 55 -18.300 -2.209 -2.683 1.00 0.00 C ATOM 801 CG1 VAL A 55 -18.271 -0.988 -1.750 1.00 0.00 C ATOM 802 CG2 VAL A 55 -19.729 -2.766 -2.652 1.00 0.00 C ATOM 0 H VAL A 55 -17.706 -3.703 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 55 -18.422 -0.904 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 55 -17.601 -2.978 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -18.583 -1.287 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -17.259 -0.585 -1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -18.951 -0.225 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -19.992 -3.035 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -20.423 -2.009 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -19.789 -3.650 -3.287 1.00 0.00 H new ATOM 812 N ARG A 56 -16.013 -0.226 -4.110 1.00 0.00 N ATOM 813 CA ARG A 56 -14.662 0.275 -4.378 1.00 0.00 C ATOM 814 C ARG A 56 -14.217 1.345 -3.373 1.00 0.00 C ATOM 815 O ARG A 56 -15.038 2.119 -2.869 1.00 0.00 O ATOM 816 CB ARG A 56 -14.575 0.850 -5.807 1.00 0.00 C ATOM 817 CG ARG A 56 -15.028 -0.090 -6.944 1.00 0.00 C ATOM 818 CD ARG A 56 -16.524 -0.033 -7.299 1.00 0.00 C ATOM 819 NE ARG A 56 -16.907 1.264 -7.881 1.00 0.00 N ATOM 820 CZ ARG A 56 -18.143 1.681 -8.131 1.00 0.00 C ATOM 821 NH1 ARG A 56 -19.203 0.937 -7.886 1.00 0.00 N ATOM 822 NH2 ARG A 56 -18.334 2.875 -8.652 1.00 0.00 N ATOM 0 H ARG A 56 -16.676 0.516 -3.885 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.989 -0.577 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.179 1.756 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -13.543 1.145 -5.996 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.452 0.147 -7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.778 -1.114 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.759 -0.830 -8.005 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.116 -0.216 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.149 1.905 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.091 0.004 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.136 1.294 -8.092 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.535 3.474 -8.861 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.281 3.201 -8.846 1.00 0.00 H new ATOM 836 N TRP A 57 -12.906 1.421 -3.121 1.00 0.00 N ATOM 837 CA TRP A 57 -12.289 2.355 -2.170 1.00 0.00 C ATOM 838 C TRP A 57 -10.940 2.885 -2.696 1.00 0.00 C ATOM 839 O TRP A 57 -10.001 2.088 -2.822 1.00 0.00 O ATOM 840 CB TRP A 57 -12.091 1.662 -0.811 1.00 0.00 C ATOM 841 CG TRP A 57 -13.346 1.203 -0.136 1.00 0.00 C ATOM 842 CD1 TRP A 57 -14.120 1.930 0.701 1.00 0.00 C ATOM 843 CD2 TRP A 57 -14.005 -0.089 -0.271 1.00 0.00 C ATOM 844 NE1 TRP A 57 -15.199 1.167 1.111 1.00 0.00 N ATOM 845 CE2 TRP A 57 -15.164 -0.094 0.561 1.00 0.00 C ATOM 846 CE3 TRP A 57 -13.743 -1.250 -1.031 1.00 0.00 C ATOM 847 CZ2 TRP A 57 -15.993 -1.217 0.676 1.00 0.00 C ATOM 848 CZ3 TRP A 57 -14.599 -2.363 -0.960 1.00 0.00 C ATOM 849 CH2 TRP A 57 -15.710 -2.350 -0.102 1.00 0.00 C ATOM 0 H TRP A 57 -12.226 0.819 -3.585 1.00 0.00 H new ATOM 0 HA TRP A 57 -12.958 3.207 -2.049 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -11.439 0.800 -0.953 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -11.570 2.349 -0.144 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -13.926 2.949 1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -15.929 1.498 1.742 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -12.876 -1.283 -1.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -16.835 -1.211 1.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -14.401 -3.233 -1.569 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -16.351 -3.217 -0.040 1.00 0.00 H new ATOM 860 N PRO A 58 -10.806 4.199 -2.978 1.00 0.00 N ATOM 861 CA PRO A 58 -9.525 4.799 -3.329 1.00 0.00 C ATOM 862 C PRO A 58 -8.595 4.789 -2.120 1.00 0.00 C ATOM 863 O PRO A 58 -9.029 4.952 -0.981 1.00 0.00 O ATOM 864 CB PRO A 58 -9.824 6.230 -3.779 1.00 0.00 C ATOM 865 CG PRO A 58 -11.120 6.567 -3.051 1.00 0.00 C ATOM 866 CD PRO A 58 -11.842 5.226 -2.938 1.00 0.00 C ATOM 0 HA PRO A 58 -9.026 4.243 -4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.020 6.913 -3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.942 6.294 -4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.925 6.999 -2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.713 7.293 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.412 5.168 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.551 5.096 -3.756 1.00 0.00 H new ATOM 874 N TYR A 59 -7.298 4.634 -2.379 1.00 0.00 N ATOM 875 CA TYR A 59 -6.276 4.567 -1.333 1.00 0.00 C ATOM 876 C TYR A 59 -6.202 5.837 -0.467 1.00 0.00 C ATOM 877 O TYR A 59 -5.948 5.751 0.734 1.00 0.00 O ATOM 878 CB TYR A 59 -4.935 4.261 -2.002 1.00 0.00 C ATOM 879 CG TYR A 59 -4.888 2.924 -2.721 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.237 1.740 -2.039 1.00 0.00 C ATOM 881 CD2 TYR A 59 -4.487 2.857 -4.068 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.189 0.500 -2.696 1.00 0.00 C ATOM 883 CE2 TYR A 59 -4.427 1.616 -4.729 1.00 0.00 C ATOM 884 CZ TYR A 59 -4.780 0.430 -4.042 1.00 0.00 C ATOM 885 OH TYR A 59 -4.728 -0.779 -4.660 1.00 0.00 O ATOM 0 H TYR A 59 -6.923 4.551 -3.324 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.544 3.773 -0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.709 5.053 -2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.151 4.281 -1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.543 1.787 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.224 3.761 -4.597 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.466 -0.401 -2.169 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.111 1.569 -5.761 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.599 -0.649 -5.623 1.00 0.00 H new ATOM 895 N LEU A 60 -6.537 6.995 -1.050 1.00 0.00 N ATOM 896 CA LEU A 60 -6.670 8.291 -0.384 1.00 0.00 C ATOM 897 C LEU A 60 -7.709 8.271 0.751 1.00 0.00 C ATOM 898 O LEU A 60 -7.538 8.933 1.775 1.00 0.00 O ATOM 899 CB LEU A 60 -7.035 9.321 -1.475 1.00 0.00 C ATOM 900 CG LEU A 60 -6.228 10.617 -1.340 1.00 0.00 C ATOM 901 CD1 LEU A 60 -6.471 11.506 -2.564 1.00 0.00 C ATOM 902 CD2 LEU A 60 -6.550 11.386 -0.057 1.00 0.00 C ATOM 0 H LEU A 60 -6.732 7.053 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.731 8.556 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.857 8.885 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.099 9.550 -1.415 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.176 10.338 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.896 12.427 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.159 10.978 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.532 11.747 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.949 12.294 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.607 11.650 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.324 10.762 0.808 1.00 0.00 H new ATOM 914 N CYS A 61 -8.775 7.486 0.581 1.00 0.00 N ATOM 915 CA CYS A 61 -9.833 7.295 1.589 1.00 0.00 C ATOM 916 C CYS A 61 -9.524 6.243 2.673 1.00 0.00 C ATOM 917 O CYS A 61 -10.270 6.170 3.655 1.00 0.00 O ATOM 918 CB CYS A 61 -11.160 6.989 0.882 1.00 0.00 C ATOM 919 SG CYS A 61 -11.755 8.489 0.052 1.00 0.00 S ATOM 0 H CYS A 61 -8.935 6.954 -0.274 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.900 8.233 2.140 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.022 6.188 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.899 6.641 1.604 1.00 0.00 H new ATOM 0 HG CYS A 61 -12.878 8.235 -0.551 1.00 0.00 H new ATOM 925 N LEU A 62 -8.450 5.452 2.542 1.00 0.00 N ATOM 926 CA LEU A 62 -8.065 4.442 3.536 1.00 0.00 C ATOM 927 C LEU A 62 -7.253 5.092 4.665 1.00 0.00 C ATOM 928 O LEU A 62 -6.021 5.135 4.628 1.00 0.00 O ATOM 929 CB LEU A 62 -7.301 3.276 2.875 1.00 0.00 C ATOM 930 CG LEU A 62 -8.040 2.529 1.750 1.00 0.00 C ATOM 931 CD1 LEU A 62 -7.179 1.336 1.312 1.00 0.00 C ATOM 932 CD2 LEU A 62 -9.430 2.032 2.171 1.00 0.00 C ATOM 0 H LEU A 62 -7.822 5.495 1.740 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.969 4.020 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.366 3.664 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.039 2.555 3.650 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.194 3.230 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.687 0.794 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.216 1.696 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.022 0.670 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.900 1.514 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.332 1.347 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.047 2.882 2.464 1.00 0.00 H new ATOM 944 N ARG A 63 -7.954 5.588 5.690 1.00 0.00 N ATOM 945 CA ARG A 63 -7.341 6.205 6.878 1.00 0.00 C ATOM 946 C ARG A 63 -6.515 5.218 7.710 1.00 0.00 C ATOM 947 O ARG A 63 -5.514 5.613 8.314 1.00 0.00 O ATOM 948 CB ARG A 63 -8.387 6.921 7.736 1.00 0.00 C ATOM 949 CG ARG A 63 -9.735 6.205 7.921 1.00 0.00 C ATOM 950 CD ARG A 63 -10.692 7.024 8.795 1.00 0.00 C ATOM 951 NE ARG A 63 -10.256 7.028 10.201 1.00 0.00 N ATOM 952 CZ ARG A 63 -10.438 7.980 11.106 1.00 0.00 C ATOM 953 NH1 ARG A 63 -11.061 9.109 10.834 1.00 0.00 N ATOM 954 NH2 ARG A 63 -9.983 7.789 12.324 1.00 0.00 N ATOM 0 H ARG A 63 -8.973 5.574 5.721 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.638 6.951 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.956 7.096 8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.579 7.899 7.294 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.191 6.029 6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.570 5.229 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.742 8.048 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.698 6.610 8.724 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.753 6.199 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.425 9.277 9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.179 9.814 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.501 6.921 12.558 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.112 8.508 13.035 1.00 0.00 H new ATOM 968 N ARG A 64 -6.899 3.940 7.688 1.00 0.00 N ATOM 969 CA ARG A 64 -6.082 2.828 8.197 1.00 0.00 C ATOM 970 C ARG A 64 -6.425 1.489 7.532 1.00 0.00 C ATOM 971 O ARG A 64 -7.547 1.283 7.064 1.00 0.00 O ATOM 972 CB ARG A 64 -6.053 2.762 9.742 1.00 0.00 C ATOM 973 CG ARG A 64 -6.870 1.637 10.406 1.00 0.00 C ATOM 974 CD ARG A 64 -6.838 1.730 11.936 1.00 0.00 C ATOM 975 NE ARG A 64 -7.680 2.832 12.426 1.00 0.00 N ATOM 976 CZ ARG A 64 -7.773 3.289 13.666 1.00 0.00 C ATOM 977 NH1 ARG A 64 -6.963 2.898 14.630 1.00 0.00 N ATOM 978 NH2 ARG A 64 -8.724 4.154 13.930 1.00 0.00 N ATOM 0 H ARG A 64 -7.798 3.641 7.311 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.055 3.043 7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.015 2.659 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.411 3.716 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.903 1.687 10.061 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.476 0.670 10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.181 0.789 12.366 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.811 1.878 12.271 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.260 3.299 11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.229 2.217 14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.071 3.276 15.571 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.361 4.453 13.192 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.826 4.528 14.874 1.00 0.00 H new ATOM 992 N TYR A 65 -5.458 0.576 7.517 1.00 0.00 N ATOM 993 CA TYR A 65 -5.577 -0.776 6.955 1.00 0.00 C ATOM 994 C TYR A 65 -4.629 -1.729 7.698 1.00 0.00 C ATOM 995 O TYR A 65 -3.555 -1.315 8.145 1.00 0.00 O ATOM 996 CB TYR A 65 -5.319 -0.765 5.434 1.00 0.00 C ATOM 997 CG TYR A 65 -3.939 -0.280 5.016 1.00 0.00 C ATOM 998 CD1 TYR A 65 -3.691 1.101 4.901 1.00 0.00 C ATOM 999 CD2 TYR A 65 -2.900 -1.200 4.767 1.00 0.00 C ATOM 1000 CE1 TYR A 65 -2.403 1.562 4.574 1.00 0.00 C ATOM 1001 CE2 TYR A 65 -1.610 -0.741 4.429 1.00 0.00 C ATOM 1002 CZ TYR A 65 -1.355 0.646 4.347 1.00 0.00 C ATOM 1003 OH TYR A 65 -0.106 1.116 4.071 1.00 0.00 O ATOM 0 H TYR A 65 -4.534 0.759 7.909 1.00 0.00 H new ATOM 0 HA TYR A 65 -6.596 -1.137 7.096 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.464 -1.775 5.049 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.069 -0.132 4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.491 1.808 5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.093 -2.260 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -2.216 2.623 4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.818 -1.449 4.233 1.00 0.00 H new ATOM 0 HH TYR A 65 0.022 1.982 4.512 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.044 -2.985 7.881 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.327 -3.958 8.708 1.00 0.00 C ATOM 1015 C GLY A 66 -4.668 -5.409 8.402 1.00 0.00 C ATOM 1016 O GLY A 66 -5.474 -5.710 7.519 1.00 0.00 O ATOM 0 H GLY A 66 -5.893 -3.358 7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.255 -3.812 8.574 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.547 -3.758 9.757 1.00 0.00 H new ATOM 1020 N TYR A 67 -4.032 -6.309 9.148 1.00 0.00 N ATOM 1021 CA TYR A 67 -4.081 -7.753 8.916 1.00 0.00 C ATOM 1022 C TYR A 67 -3.952 -8.580 10.213 1.00 0.00 C ATOM 1023 O TYR A 67 -3.515 -8.089 11.258 1.00 0.00 O ATOM 1024 CB TYR A 67 -2.979 -8.133 7.907 1.00 0.00 C ATOM 1025 CG TYR A 67 -1.599 -8.283 8.524 1.00 0.00 C ATOM 1026 CD1 TYR A 67 -0.875 -7.147 8.934 1.00 0.00 C ATOM 1027 CD2 TYR A 67 -1.059 -9.569 8.731 1.00 0.00 C ATOM 1028 CE1 TYR A 67 0.387 -7.291 9.539 1.00 0.00 C ATOM 1029 CE2 TYR A 67 0.204 -9.719 9.332 1.00 0.00 C ATOM 1030 CZ TYR A 67 0.933 -8.577 9.737 1.00 0.00 C ATOM 1031 OH TYR A 67 2.158 -8.713 10.317 1.00 0.00 O ATOM 0 H TYR A 67 -3.455 -6.051 9.949 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.063 -7.995 8.509 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.252 -9.070 7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.936 -7.372 7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.290 -6.161 8.783 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.617 -10.442 8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.938 -6.417 9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.617 -10.705 9.484 1.00 0.00 H new ATOM 0 HH TYR A 67 2.386 -9.664 10.381 1.00 0.00 H new ATOM 1041 N ASP A 68 -4.296 -9.863 10.111 1.00 0.00 N ATOM 1042 CA ASP A 68 -4.122 -10.899 11.130 1.00 0.00 C ATOM 1043 C ASP A 68 -3.891 -12.268 10.444 1.00 0.00 C ATOM 1044 O ASP A 68 -3.679 -12.334 9.232 1.00 0.00 O ATOM 1045 CB ASP A 68 -5.337 -10.884 12.081 1.00 0.00 C ATOM 1046 CG ASP A 68 -4.940 -11.246 13.520 1.00 0.00 C ATOM 1047 OD1 ASP A 68 -4.589 -12.425 13.764 1.00 0.00 O ATOM 1048 OD2 ASP A 68 -4.973 -10.350 14.396 1.00 0.00 O ATOM 0 H ASP A 68 -4.730 -10.230 9.264 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.239 -10.705 11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.796 -9.895 12.068 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.088 -11.589 11.723 1.00 0.00 H new ATOM 1053 N SER A 69 -3.921 -13.374 11.185 1.00 0.00 N ATOM 1054 CA SER A 69 -3.598 -14.718 10.666 1.00 0.00 C ATOM 1055 C SER A 69 -4.625 -15.296 9.671 1.00 0.00 C ATOM 1056 O SER A 69 -4.306 -16.213 8.908 1.00 0.00 O ATOM 1057 CB SER A 69 -3.407 -15.688 11.840 1.00 0.00 C ATOM 1058 OG SER A 69 -4.602 -15.850 12.600 1.00 0.00 O ATOM 0 H SER A 69 -4.172 -13.371 12.174 1.00 0.00 H new ATOM 0 HA SER A 69 -2.677 -14.601 10.095 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.085 -16.658 11.460 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.612 -15.320 12.489 1.00 0.00 H new ATOM 0 HG SER A 69 -4.439 -16.476 13.336 1.00 0.00 H new ATOM 1064 N ASN A 70 -5.843 -14.747 9.652 1.00 0.00 N ATOM 1065 CA ASN A 70 -6.974 -15.190 8.821 1.00 0.00 C ATOM 1066 C ASN A 70 -7.979 -14.066 8.481 1.00 0.00 C ATOM 1067 O ASN A 70 -9.060 -14.342 7.952 1.00 0.00 O ATOM 1068 CB ASN A 70 -7.682 -16.377 9.511 1.00 0.00 C ATOM 1069 CG ASN A 70 -8.454 -16.005 10.780 1.00 0.00 C ATOM 1070 OD1 ASN A 70 -8.263 -14.958 11.390 1.00 0.00 O ATOM 1071 ND2 ASN A 70 -9.367 -16.854 11.217 1.00 0.00 N ATOM 0 H ASN A 70 -6.081 -13.948 10.239 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.562 -15.505 7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.372 -16.834 8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.937 -17.132 9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.906 -16.636 12.055 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.533 -17.727 10.716 1.00 0.00 H new ATOM 1078 N LEU A 71 -7.649 -12.808 8.801 1.00 0.00 N ATOM 1079 CA LEU A 71 -8.554 -11.660 8.781 1.00 0.00 C ATOM 1080 C LEU A 71 -7.854 -10.426 8.197 1.00 0.00 C ATOM 1081 O LEU A 71 -6.763 -10.057 8.633 1.00 0.00 O ATOM 1082 CB LEU A 71 -9.021 -11.452 10.242 1.00 0.00 C ATOM 1083 CG LEU A 71 -10.278 -10.602 10.499 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -10.052 -9.097 10.335 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -11.442 -11.073 9.626 1.00 0.00 C ATOM 0 H LEU A 71 -6.705 -12.556 9.092 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.417 -11.831 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.192 -12.436 10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.196 -10.998 10.792 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.530 -10.755 11.548 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.983 -8.566 10.532 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.289 -8.765 11.039 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.723 -8.887 9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.319 -10.457 9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.168 -10.984 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.670 -12.114 9.855 1.00 0.00 H new ATOM 1097 N PHE A 72 -8.501 -9.787 7.223 1.00 0.00 N ATOM 1098 CA PHE A 72 -8.090 -8.530 6.597 1.00 0.00 C ATOM 1099 C PHE A 72 -9.195 -7.479 6.783 1.00 0.00 C ATOM 1100 O PHE A 72 -10.378 -7.786 6.673 1.00 0.00 O ATOM 1101 CB PHE A 72 -7.807 -8.787 5.108 1.00 0.00 C ATOM 1102 CG PHE A 72 -7.610 -7.512 4.314 1.00 0.00 C ATOM 1103 CD1 PHE A 72 -6.474 -6.713 4.546 1.00 0.00 C ATOM 1104 CD2 PHE A 72 -8.614 -7.069 3.432 1.00 0.00 C ATOM 1105 CE1 PHE A 72 -6.367 -5.452 3.937 1.00 0.00 C ATOM 1106 CE2 PHE A 72 -8.493 -5.818 2.805 1.00 0.00 C ATOM 1107 CZ PHE A 72 -7.382 -5.000 3.074 1.00 0.00 C ATOM 0 H PHE A 72 -9.369 -10.150 6.829 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.182 -8.149 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.916 -9.408 5.015 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -8.635 -9.352 4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.685 -7.070 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.476 -7.690 3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -5.506 -4.830 4.131 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -9.254 -5.484 2.116 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.308 -4.024 2.618 1.00 0.00 H new ATOM 1117 N SER A 73 -8.829 -6.232 7.059 1.00 0.00 N ATOM 1118 CA SER A 73 -9.764 -5.138 7.329 1.00 0.00 C ATOM 1119 C SER A 73 -9.183 -3.757 6.978 1.00 0.00 C ATOM 1120 O SER A 73 -7.963 -3.563 6.905 1.00 0.00 O ATOM 1121 CB SER A 73 -10.184 -5.195 8.800 1.00 0.00 C ATOM 1122 OG SER A 73 -11.275 -4.330 9.047 1.00 0.00 O ATOM 0 H SER A 73 -7.852 -5.944 7.103 1.00 0.00 H new ATOM 0 HA SER A 73 -10.634 -5.271 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.457 -6.216 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.342 -4.916 9.434 1.00 0.00 H new ATOM 0 HG SER A 73 -11.856 -4.304 8.259 1.00 0.00 H new ATOM 1128 N PHE A 74 -10.080 -2.784 6.783 1.00 0.00 N ATOM 1129 CA PHE A 74 -9.773 -1.395 6.448 1.00 0.00 C ATOM 1130 C PHE A 74 -10.832 -0.427 7.008 1.00 0.00 C ATOM 1131 O PHE A 74 -12.005 -0.778 7.163 1.00 0.00 O ATOM 1132 CB PHE A 74 -9.582 -1.257 4.926 1.00 0.00 C ATOM 1133 CG PHE A 74 -10.760 -1.699 4.070 1.00 0.00 C ATOM 1134 CD1 PHE A 74 -11.838 -0.821 3.843 1.00 0.00 C ATOM 1135 CD2 PHE A 74 -10.779 -2.983 3.487 1.00 0.00 C ATOM 1136 CE1 PHE A 74 -12.926 -1.229 3.053 1.00 0.00 C ATOM 1137 CE2 PHE A 74 -11.860 -3.386 2.678 1.00 0.00 C ATOM 1138 CZ PHE A 74 -12.935 -2.507 2.469 1.00 0.00 C ATOM 0 H PHE A 74 -11.083 -2.954 6.858 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.835 -1.113 6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -9.363 -0.214 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.707 -1.837 4.634 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.828 0.168 4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.958 -3.663 3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.758 -0.558 2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.862 -4.365 2.222 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.771 -2.814 1.858 1.00 0.00 H new ATOM 1148 N GLU A 75 -10.393 0.791 7.330 1.00 0.00 N ATOM 1149 CA GLU A 75 -11.191 1.887 7.881 1.00 0.00 C ATOM 1150 C GLU A 75 -11.278 3.028 6.856 1.00 0.00 C ATOM 1151 O GLU A 75 -10.267 3.437 6.276 1.00 0.00 O ATOM 1152 CB GLU A 75 -10.533 2.371 9.185 1.00 0.00 C ATOM 1153 CG GLU A 75 -11.358 3.420 9.943 1.00 0.00 C ATOM 1154 CD GLU A 75 -10.608 3.921 11.184 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -9.492 4.468 11.041 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -11.109 3.793 12.322 1.00 0.00 O ATOM 0 H GLU A 75 -9.415 1.054 7.206 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.203 1.546 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.366 1.513 9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.554 2.791 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.578 4.260 9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.314 2.989 10.241 1.00 0.00 H new ATOM 1163 N SER A 76 -12.482 3.563 6.659 1.00 0.00 N ATOM 1164 CA SER A 76 -12.806 4.528 5.596 1.00 0.00 C ATOM 1165 C SER A 76 -13.607 5.731 6.127 1.00 0.00 C ATOM 1166 O SER A 76 -14.277 5.633 7.159 1.00 0.00 O ATOM 1167 CB SER A 76 -13.595 3.831 4.478 1.00 0.00 C ATOM 1168 OG SER A 76 -12.837 2.792 3.870 1.00 0.00 O ATOM 0 H SER A 76 -13.284 3.335 7.247 1.00 0.00 H new ATOM 0 HA SER A 76 -11.863 4.908 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.517 3.418 4.886 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.881 4.563 3.723 1.00 0.00 H new ATOM 0 HG SER A 76 -13.230 2.566 3.001 1.00 0.00 H new ATOM 1174 N GLY A 77 -13.523 6.879 5.437 1.00 0.00 N ATOM 1175 CA GLY A 77 -14.216 8.133 5.790 1.00 0.00 C ATOM 1176 C GLY A 77 -15.469 8.420 4.950 1.00 0.00 C ATOM 1177 O GLY A 77 -15.687 7.807 3.905 1.00 0.00 O ATOM 0 H GLY A 77 -12.956 6.965 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.499 8.094 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.519 8.964 5.678 1.00 0.00 H new ATOM 1181 N ARG A 78 -16.282 9.396 5.384 1.00 0.00 N ATOM 1182 CA ARG A 78 -17.604 9.745 4.801 1.00 0.00 C ATOM 1183 C ARG A 78 -17.603 10.046 3.292 1.00 0.00 C ATOM 1184 O ARG A 78 -18.610 9.849 2.612 1.00 0.00 O ATOM 1185 CB ARG A 78 -18.212 10.954 5.525 1.00 0.00 C ATOM 1186 CG ARG A 78 -18.427 10.643 7.008 1.00 0.00 C ATOM 1187 CD ARG A 78 -19.444 11.583 7.654 1.00 0.00 C ATOM 1188 NE ARG A 78 -20.814 11.286 7.190 1.00 0.00 N ATOM 1189 CZ ARG A 78 -21.757 12.159 6.861 1.00 0.00 C ATOM 1190 NH1 ARG A 78 -21.595 13.459 6.972 1.00 0.00 N ATOM 1191 NH2 ARG A 78 -22.911 11.740 6.396 1.00 0.00 N ATOM 0 H ARG A 78 -16.036 9.989 6.177 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.199 8.843 4.942 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -17.553 11.816 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -19.162 11.221 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -18.767 9.613 7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.476 10.721 7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -19.395 11.486 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.192 12.616 7.415 1.00 0.00 H new ATOM 0 HE ARG A 78 -21.063 10.300 7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -20.715 13.835 7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -22.350 14.092 6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -23.084 10.741 6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.634 12.414 6.144 1.00 0.00 H new ATOM 1205 N ARG A 79 -16.463 10.514 2.788 1.00 0.00 N ATOM 1206 CA ARG A 79 -16.223 10.932 1.398 1.00 0.00 C ATOM 1207 C ARG A 79 -16.116 9.792 0.366 1.00 0.00 C ATOM 1208 O ARG A 79 -16.209 10.057 -0.835 1.00 0.00 O ATOM 1209 CB ARG A 79 -14.968 11.819 1.388 1.00 0.00 C ATOM 1210 CG ARG A 79 -13.678 11.091 1.823 1.00 0.00 C ATOM 1211 CD ARG A 79 -12.789 12.011 2.665 1.00 0.00 C ATOM 1212 NE ARG A 79 -11.592 11.315 3.175 1.00 0.00 N ATOM 1213 CZ ARG A 79 -10.409 11.207 2.574 1.00 0.00 C ATOM 1214 NH1 ARG A 79 -10.178 11.711 1.380 1.00 0.00 N ATOM 1215 NH2 ARG A 79 -9.431 10.577 3.188 1.00 0.00 N ATOM 0 H ARG A 79 -15.631 10.620 3.368 1.00 0.00 H new ATOM 0 HA ARG A 79 -17.107 11.478 1.069 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.826 12.218 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -15.132 12.670 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.934 10.201 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.130 10.756 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.481 12.866 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.365 12.402 3.504 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.681 10.868 4.087 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.919 12.205 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.258 11.608 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.584 10.178 4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.520 10.488 2.738 1.00 0.00 H new ATOM 1229 N CYS A 80 -15.930 8.541 0.804 1.00 0.00 N ATOM 1230 CA CYS A 80 -15.855 7.364 -0.090 1.00 0.00 C ATOM 1231 C CYS A 80 -17.244 6.795 -0.487 1.00 0.00 C ATOM 1232 O CYS A 80 -18.279 7.355 -0.116 1.00 0.00 O ATOM 1233 CB CYS A 80 -14.903 6.322 0.528 1.00 0.00 C ATOM 1234 SG CYS A 80 -15.726 5.358 1.822 1.00 0.00 S ATOM 0 H CYS A 80 -15.826 8.309 1.792 1.00 0.00 H new ATOM 0 HA CYS A 80 -15.437 7.680 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.540 5.652 -0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -14.032 6.826 0.947 1.00 0.00 H new ATOM 0 HG CYS A 80 -15.887 6.098 2.879 1.00 0.00 H new ATOM 1240 N GLN A 81 -17.277 5.682 -1.238 1.00 0.00 N ATOM 1241 CA GLN A 81 -18.514 5.044 -1.729 1.00 0.00 C ATOM 1242 C GLN A 81 -19.444 4.593 -0.590 1.00 0.00 C ATOM 1243 O GLN A 81 -20.652 4.843 -0.647 1.00 0.00 O ATOM 1244 CB GLN A 81 -18.152 3.850 -2.641 1.00 0.00 C ATOM 1245 CG GLN A 81 -19.392 3.061 -3.123 1.00 0.00 C ATOM 1246 CD GLN A 81 -19.096 1.962 -4.150 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -17.994 1.799 -4.651 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -20.072 1.143 -4.492 1.00 0.00 N ATOM 0 H GLN A 81 -16.431 5.190 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.066 5.791 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.601 4.216 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.486 3.176 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.876 2.609 -2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.105 3.762 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.001 1.259 -4.087 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -19.898 0.393 -5.161 1.00 0.00 H new ATOM 1257 N THR A 82 -18.892 3.929 0.434 1.00 0.00 N ATOM 1258 CA THR A 82 -19.643 3.379 1.577 1.00 0.00 C ATOM 1259 C THR A 82 -19.794 4.368 2.726 1.00 0.00 C ATOM 1260 O THR A 82 -20.696 4.228 3.553 1.00 0.00 O ATOM 1261 CB THR A 82 -18.965 2.106 2.084 1.00 0.00 C ATOM 1262 OG1 THR A 82 -17.596 2.353 2.336 1.00 0.00 O ATOM 1263 CG2 THR A 82 -19.070 1.003 1.034 1.00 0.00 C ATOM 0 H THR A 82 -17.889 3.754 0.495 1.00 0.00 H new ATOM 0 HA THR A 82 -20.646 3.156 1.212 1.00 0.00 H new ATOM 0 HB THR A 82 -19.463 1.795 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 82 -17.317 1.861 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.584 0.100 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 82 -20.120 0.793 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.581 1.327 0.115 1.00 0.00 H new ATOM 1271 N GLY A 83 -18.912 5.365 2.766 1.00 0.00 N ATOM 1272 CA GLY A 83 -18.816 6.379 3.811 1.00 0.00 C ATOM 1273 C GLY A 83 -18.010 5.894 5.017 1.00 0.00 C ATOM 1274 O GLY A 83 -17.160 5.008 4.905 1.00 0.00 O ATOM 0 H GLY A 83 -18.212 5.493 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.350 7.276 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -19.818 6.660 4.135 1.00 0.00 H new ATOM 1278 N GLN A 84 -18.264 6.508 6.173 1.00 0.00 N ATOM 1279 CA GLN A 84 -17.609 6.161 7.436 1.00 0.00 C ATOM 1280 C GLN A 84 -17.947 4.729 7.876 1.00 0.00 C ATOM 1281 O GLN A 84 -19.110 4.316 7.859 1.00 0.00 O ATOM 1282 CB GLN A 84 -17.931 7.188 8.538 1.00 0.00 C ATOM 1283 CG GLN A 84 -19.438 7.395 8.802 1.00 0.00 C ATOM 1284 CD GLN A 84 -19.745 8.393 9.924 1.00 0.00 C ATOM 1285 OE1 GLN A 84 -18.939 9.232 10.308 1.00 0.00 O ATOM 1286 NE2 GLN A 84 -20.935 8.354 10.492 1.00 0.00 N ATOM 0 H GLN A 84 -18.938 7.269 6.260 1.00 0.00 H new ATOM 0 HA GLN A 84 -16.533 6.196 7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.454 6.869 9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.488 8.146 8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -19.913 7.740 7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -19.888 6.434 9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -21.622 7.664 10.189 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -21.168 9.014 11.234 1.00 0.00 H new ATOM 1295 N GLY A 85 -16.924 3.976 8.289 1.00 0.00 N ATOM 1296 CA GLY A 85 -17.063 2.614 8.792 1.00 0.00 C ATOM 1297 C GLY A 85 -15.791 1.790 8.643 1.00 0.00 C ATOM 1298 O GLY A 85 -14.792 2.223 8.061 1.00 0.00 O ATOM 0 H GLY A 85 -15.959 4.306 8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.345 2.649 9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.875 2.118 8.260 1.00 0.00 H new ATOM 1302 N ILE A 86 -15.858 0.576 9.181 1.00 0.00 N ATOM 1303 CA ILE A 86 -14.828 -0.461 9.083 1.00 0.00 C ATOM 1304 C ILE A 86 -15.470 -1.726 8.504 1.00 0.00 C ATOM 1305 O ILE A 86 -16.586 -2.084 8.897 1.00 0.00 O ATOM 1306 CB ILE A 86 -14.222 -0.722 10.481 1.00 0.00 C ATOM 1307 CG1 ILE A 86 -13.471 0.523 11.005 1.00 0.00 C ATOM 1308 CG2 ILE A 86 -13.281 -1.941 10.478 1.00 0.00 C ATOM 1309 CD1 ILE A 86 -13.328 0.515 12.527 1.00 0.00 C ATOM 0 H ILE A 86 -16.667 0.271 9.722 1.00 0.00 H new ATOM 0 HA ILE A 86 -14.019 -0.143 8.425 1.00 0.00 H new ATOM 0 HB ILE A 86 -15.054 -0.938 11.151 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.482 0.567 10.549 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.004 1.423 10.697 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.876 -2.090 11.479 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.836 -2.829 10.175 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.464 -1.768 9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.794 1.410 12.847 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.317 0.499 12.985 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.771 -0.370 12.835 1.00 0.00 H new ATOM 1321 N PHE A 87 -14.755 -2.401 7.601 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.232 -3.569 6.859 1.00 0.00 C ATOM 1323 C PHE A 87 -14.160 -4.668 6.866 1.00 0.00 C ATOM 1324 O PHE A 87 -13.026 -4.434 6.443 1.00 0.00 O ATOM 1325 CB PHE A 87 -15.595 -3.133 5.428 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.605 -1.999 5.356 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -17.981 -2.274 5.480 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.173 -0.668 5.190 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.919 -1.228 5.429 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.111 0.379 5.155 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.483 0.100 5.273 1.00 0.00 C ATOM 0 H PHE A 87 -13.799 -2.141 7.359 1.00 0.00 H new ATOM 0 HA PHE A 87 -16.123 -3.982 7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.685 -2.826 4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -15.993 -3.993 4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -18.316 -3.292 5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.120 -0.452 5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -19.974 -1.444 5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.776 1.399 5.037 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.202 0.905 5.244 1.00 0.00 H new ATOM 1341 N ALA A 88 -14.525 -5.863 7.349 1.00 0.00 N ATOM 1342 CA ALA A 88 -13.595 -6.960 7.631 1.00 0.00 C ATOM 1343 C ALA A 88 -13.956 -8.256 6.892 1.00 0.00 C ATOM 1344 O ALA A 88 -15.132 -8.607 6.727 1.00 0.00 O ATOM 1345 CB ALA A 88 -13.546 -7.178 9.144 1.00 0.00 C ATOM 0 H ALA A 88 -15.495 -6.097 7.558 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.609 -6.680 7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.858 -7.992 9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.204 -6.266 9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.542 -7.432 9.507 1.00 0.00 H new ATOM 1351 N PHE A 89 -12.915 -8.972 6.463 1.00 0.00 N ATOM 1352 CA PHE A 89 -13.024 -10.107 5.556 1.00 0.00 C ATOM 1353 C PHE A 89 -12.088 -11.248 5.957 1.00 0.00 C ATOM 1354 O PHE A 89 -10.878 -11.070 6.093 1.00 0.00 O ATOM 1355 CB PHE A 89 -12.730 -9.656 4.114 1.00 0.00 C ATOM 1356 CG PHE A 89 -13.545 -8.477 3.615 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -13.167 -7.165 3.961 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -14.682 -8.687 2.813 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -13.955 -6.075 3.560 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -15.455 -7.590 2.389 1.00 0.00 C ATOM 1361 CZ PHE A 89 -15.099 -6.287 2.777 1.00 0.00 C ATOM 0 H PHE A 89 -11.955 -8.772 6.744 1.00 0.00 H new ATOM 0 HA PHE A 89 -14.044 -10.486 5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -11.673 -9.400 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -12.901 -10.501 3.447 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.269 -6.997 4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -14.961 -9.689 2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.680 -5.073 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -16.322 -7.750 1.765 1.00 0.00 H new ATOM 0 HZ PHE A 89 -15.707 -5.448 2.472 1.00 0.00 H new ATOM 1371 N LYS A 90 -12.656 -12.443 6.110 1.00 0.00 N ATOM 1372 CA LYS A 90 -11.903 -13.684 6.278 1.00 0.00 C ATOM 1373 C LYS A 90 -11.211 -14.089 4.964 1.00 0.00 C ATOM 1374 O LYS A 90 -11.841 -14.084 3.899 1.00 0.00 O ATOM 1375 CB LYS A 90 -12.852 -14.787 6.783 1.00 0.00 C ATOM 1376 CG LYS A 90 -12.935 -14.803 8.314 1.00 0.00 C ATOM 1377 CD LYS A 90 -13.800 -15.985 8.781 1.00 0.00 C ATOM 1378 CE LYS A 90 -14.026 -15.978 10.300 1.00 0.00 C ATOM 1379 NZ LYS A 90 -12.823 -16.404 11.063 1.00 0.00 N ATOM 0 H LYS A 90 -13.667 -12.578 6.121 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.116 -13.534 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.847 -14.631 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.506 -15.757 6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.935 -14.883 8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.360 -13.866 8.673 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.763 -15.950 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.320 -16.920 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.314 -14.975 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.858 -16.640 10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.032 -16.381 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.560 -17.371 10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.034 -15.758 10.856 1.00 0.00 H new ATOM 1393 N CYS A 91 -9.931 -14.463 5.052 1.00 0.00 N ATOM 1394 CA CYS A 91 -9.075 -14.885 3.934 1.00 0.00 C ATOM 1395 C CYS A 91 -7.761 -15.520 4.424 1.00 0.00 C ATOM 1396 O CYS A 91 -7.203 -15.132 5.449 1.00 0.00 O ATOM 1397 CB CYS A 91 -8.825 -13.699 2.978 1.00 0.00 C ATOM 1398 SG CYS A 91 -8.134 -12.260 3.846 1.00 0.00 S ATOM 0 H CYS A 91 -9.439 -14.481 5.945 1.00 0.00 H new ATOM 0 HA CYS A 91 -9.599 -15.663 3.378 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.141 -14.008 2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -9.762 -13.417 2.497 1.00 0.00 H new ATOM 0 HG CYS A 91 -7.941 -11.293 2.998 1.00 0.00 H new ATOM 1404 N SER A 92 -7.236 -16.480 3.664 1.00 0.00 N ATOM 1405 CA SER A 92 -5.985 -17.197 3.983 1.00 0.00 C ATOM 1406 C SER A 92 -4.715 -16.423 3.554 1.00 0.00 C ATOM 1407 O SER A 92 -3.589 -16.897 3.729 1.00 0.00 O ATOM 1408 CB SER A 92 -6.059 -18.593 3.331 1.00 0.00 C ATOM 1409 OG SER A 92 -5.063 -19.491 3.801 1.00 0.00 O ATOM 0 H SER A 92 -7.668 -16.792 2.794 1.00 0.00 H new ATOM 0 HA SER A 92 -5.897 -17.292 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.043 -19.022 3.521 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.961 -18.487 2.251 1.00 0.00 H new ATOM 0 HG SER A 92 -4.268 -18.986 4.072 1.00 0.00 H new ATOM 1415 N ARG A 93 -4.881 -15.234 2.954 1.00 0.00 N ATOM 1416 CA ARG A 93 -3.812 -14.397 2.374 1.00 0.00 C ATOM 1417 C ARG A 93 -3.850 -12.943 2.889 1.00 0.00 C ATOM 1418 O ARG A 93 -3.300 -12.043 2.255 1.00 0.00 O ATOM 1419 CB ARG A 93 -3.851 -14.497 0.828 1.00 0.00 C ATOM 1420 CG ARG A 93 -3.055 -15.682 0.258 1.00 0.00 C ATOM 1421 CD ARG A 93 -3.802 -17.018 0.248 1.00 0.00 C ATOM 1422 NE ARG A 93 -2.901 -18.118 -0.136 1.00 0.00 N ATOM 1423 CZ ARG A 93 -2.221 -18.919 0.681 1.00 0.00 C ATOM 1424 NH1 ARG A 93 -2.274 -18.815 1.993 1.00 0.00 N ATOM 1425 NH2 ARG A 93 -1.452 -19.860 0.175 1.00 0.00 N ATOM 0 H ARG A 93 -5.803 -14.809 2.854 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.850 -14.783 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.889 -14.581 0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.460 -13.572 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.756 -15.442 -0.762 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.140 -15.799 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.221 -17.213 1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.639 -16.967 -0.449 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.786 -18.284 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.855 -18.096 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.734 -19.453 2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.381 -19.971 -0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.928 -20.478 0.794 1.00 0.00 H new ATOM 1439 N ALA A 94 -4.456 -12.695 4.057 1.00 0.00 N ATOM 1440 CA ALA A 94 -4.575 -11.365 4.668 1.00 0.00 C ATOM 1441 C ALA A 94 -3.240 -10.592 4.751 1.00 0.00 C ATOM 1442 O ALA A 94 -3.194 -9.404 4.441 1.00 0.00 O ATOM 1443 CB ALA A 94 -5.185 -11.543 6.064 1.00 0.00 C ATOM 0 H ALA A 94 -4.887 -13.431 4.617 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.214 -10.756 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.286 -10.569 6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.167 -12.007 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.536 -12.179 6.666 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.150 -11.281 5.104 1.00 0.00 N ATOM 1450 CA GLU A 95 -0.796 -10.723 5.154 1.00 0.00 C ATOM 1451 C GLU A 95 -0.214 -10.420 3.765 1.00 0.00 C ATOM 1452 O GLU A 95 0.491 -9.427 3.604 1.00 0.00 O ATOM 1453 CB GLU A 95 0.096 -11.716 5.910 1.00 0.00 C ATOM 1454 CG GLU A 95 1.534 -11.217 6.077 1.00 0.00 C ATOM 1455 CD GLU A 95 2.353 -12.118 7.018 1.00 0.00 C ATOM 1456 OE1 GLU A 95 2.475 -13.336 6.741 1.00 0.00 O ATOM 1457 OE2 GLU A 95 2.907 -11.612 8.024 1.00 0.00 O ATOM 0 H GLU A 95 -2.186 -12.265 5.369 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.838 -9.763 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.334 -11.907 6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.106 -12.667 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.019 -11.176 5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.521 -10.200 6.469 1.00 0.00 H new ATOM 1464 N GLU A 96 -0.517 -11.232 2.749 1.00 0.00 N ATOM 1465 CA GLU A 96 -0.101 -10.954 1.369 1.00 0.00 C ATOM 1466 C GLU A 96 -0.801 -9.701 0.831 1.00 0.00 C ATOM 1467 O GLU A 96 -0.160 -8.867 0.194 1.00 0.00 O ATOM 1468 CB GLU A 96 -0.366 -12.136 0.419 1.00 0.00 C ATOM 1469 CG GLU A 96 0.306 -13.438 0.875 1.00 0.00 C ATOM 1470 CD GLU A 96 0.520 -14.459 -0.257 1.00 0.00 C ATOM 1471 OE1 GLU A 96 -0.189 -14.418 -1.289 1.00 0.00 O ATOM 1472 OE2 GLU A 96 1.414 -15.325 -0.110 1.00 0.00 O ATOM 0 H GLU A 96 -1.053 -12.093 2.856 1.00 0.00 H new ATOM 0 HA GLU A 96 0.976 -10.789 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.441 -12.297 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.009 -11.880 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.271 -13.200 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.303 -13.896 1.654 1.00 0.00 H new ATOM 1479 N ILE A 97 -2.089 -9.519 1.151 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.836 -8.290 0.828 1.00 0.00 C ATOM 1481 C ILE A 97 -2.186 -7.081 1.512 1.00 0.00 C ATOM 1482 O ILE A 97 -1.922 -6.076 0.851 1.00 0.00 O ATOM 1483 CB ILE A 97 -4.334 -8.427 1.204 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -5.019 -9.578 0.430 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -5.064 -7.100 0.925 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -6.384 -9.973 1.012 1.00 0.00 C ATOM 0 H ILE A 97 -2.646 -10.219 1.642 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.794 -8.131 -0.250 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.391 -8.664 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.148 -9.281 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.364 -10.449 0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.116 -7.201 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.614 -6.305 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.979 -6.853 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.810 -10.785 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.258 -10.301 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.054 -9.114 0.983 1.00 0.00 H new ATOM 1498 N PHE A 98 -1.870 -7.185 2.808 1.00 0.00 N ATOM 1499 CA PHE A 98 -1.228 -6.117 3.580 1.00 0.00 C ATOM 1500 C PHE A 98 0.166 -5.744 3.034 1.00 0.00 C ATOM 1501 O PHE A 98 0.512 -4.561 2.985 1.00 0.00 O ATOM 1502 CB PHE A 98 -1.215 -6.532 5.059 1.00 0.00 C ATOM 1503 CG PHE A 98 0.002 -6.114 5.857 1.00 0.00 C ATOM 1504 CD1 PHE A 98 0.082 -4.828 6.420 1.00 0.00 C ATOM 1505 CD2 PHE A 98 1.052 -7.030 6.050 1.00 0.00 C ATOM 1506 CE1 PHE A 98 1.209 -4.468 7.179 1.00 0.00 C ATOM 1507 CE2 PHE A 98 2.181 -6.666 6.800 1.00 0.00 C ATOM 1508 CZ PHE A 98 2.260 -5.384 7.367 1.00 0.00 C ATOM 0 H PHE A 98 -2.056 -8.025 3.356 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.804 -5.197 3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -2.100 -6.116 5.540 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.304 -7.617 5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.719 -4.120 6.270 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.989 -8.018 5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.268 -3.484 7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.987 -7.371 6.941 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.126 -5.101 7.947 1.00 0.00 H new ATOM 1518 N ASN A 99 0.951 -6.726 2.573 1.00 0.00 N ATOM 1519 CA ASN A 99 2.257 -6.495 1.945 1.00 0.00 C ATOM 1520 C ASN A 99 2.152 -5.891 0.532 1.00 0.00 C ATOM 1521 O ASN A 99 3.033 -5.123 0.140 1.00 0.00 O ATOM 1522 CB ASN A 99 3.062 -7.804 1.905 1.00 0.00 C ATOM 1523 CG ASN A 99 3.809 -8.055 3.210 1.00 0.00 C ATOM 1524 OD1 ASN A 99 4.913 -7.564 3.419 1.00 0.00 O ATOM 1525 ND2 ASN A 99 3.242 -8.825 4.116 1.00 0.00 N ATOM 0 H ASN A 99 0.695 -7.712 2.626 1.00 0.00 H new ATOM 0 HA ASN A 99 2.775 -5.759 2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.389 -8.638 1.707 1.00 0.00 H new ATOM 0 HB3 ASN A 99 3.774 -7.767 1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 99 3.721 -9.015 4.996 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.324 -9.231 3.938 1.00 0.00 H new ATOM 1532 N LEU A 100 1.087 -6.191 -0.223 1.00 0.00 N ATOM 1533 CA LEU A 100 0.888 -5.672 -1.579 1.00 0.00 C ATOM 1534 C LEU A 100 0.312 -4.246 -1.536 1.00 0.00 C ATOM 1535 O LEU A 100 0.809 -3.371 -2.243 1.00 0.00 O ATOM 1536 CB LEU A 100 0.020 -6.679 -2.364 1.00 0.00 C ATOM 1537 CG LEU A 100 0.313 -6.760 -3.876 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.571 -7.838 -4.515 1.00 0.00 C ATOM 1539 CD2 LEU A 100 0.108 -5.437 -4.618 1.00 0.00 C ATOM 0 H LEU A 100 0.336 -6.804 0.093 1.00 0.00 H new ATOM 0 HA LEU A 100 1.837 -5.578 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.158 -7.669 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.029 -6.415 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 100 1.370 -7.011 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.362 -7.893 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.360 -8.803 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.620 -7.585 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.334 -5.574 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.927 -5.114 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.771 -4.679 -4.201 1.00 0.00 H new ATOM 1551 N LEU A 101 -0.658 -3.977 -0.651 1.00 0.00 N ATOM 1552 CA LEU A 101 -1.291 -2.661 -0.478 1.00 0.00 C ATOM 1553 C LEU A 101 -0.283 -1.529 -0.319 1.00 0.00 C ATOM 1554 O LEU A 101 -0.284 -0.591 -1.109 1.00 0.00 O ATOM 1555 CB LEU A 101 -2.222 -2.690 0.751 1.00 0.00 C ATOM 1556 CG LEU A 101 -3.626 -3.231 0.457 1.00 0.00 C ATOM 1557 CD1 LEU A 101 -4.407 -3.347 1.769 1.00 0.00 C ATOM 1558 CD2 LEU A 101 -4.387 -2.313 -0.508 1.00 0.00 C ATOM 0 H LEU A 101 -1.034 -4.685 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.858 -2.463 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.763 -3.302 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -2.309 -1.680 1.152 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.525 -4.210 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.406 -3.731 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.887 -4.028 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.484 -2.364 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.379 -2.725 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.484 -1.321 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.840 -2.240 -1.448 1.00 0.00 H new ATOM 1570 N GLN A 102 0.596 -1.637 0.675 1.00 0.00 N ATOM 1571 CA GLN A 102 1.610 -0.621 0.977 1.00 0.00 C ATOM 1572 C GLN A 102 2.600 -0.368 -0.177 1.00 0.00 C ATOM 1573 O GLN A 102 3.198 0.704 -0.236 1.00 0.00 O ATOM 1574 CB GLN A 102 2.334 -0.998 2.279 1.00 0.00 C ATOM 1575 CG GLN A 102 3.123 -2.316 2.198 1.00 0.00 C ATOM 1576 CD GLN A 102 3.652 -2.739 3.567 1.00 0.00 C ATOM 1577 OE1 GLN A 102 4.717 -2.330 4.015 1.00 0.00 O ATOM 1578 NE2 GLN A 102 2.914 -3.555 4.294 1.00 0.00 N ATOM 0 H GLN A 102 0.627 -2.441 1.302 1.00 0.00 H new ATOM 0 HA GLN A 102 1.092 0.329 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.018 -0.193 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.600 -1.075 3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.482 -3.101 1.797 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.956 -2.200 1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.026 -3.901 3.930 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.231 -3.840 5.221 1.00 0.00 H new ATOM 1587 N ASP A 103 2.743 -1.306 -1.119 1.00 0.00 N ATOM 1588 CA ASP A 103 3.578 -1.164 -2.320 1.00 0.00 C ATOM 1589 C ASP A 103 2.867 -0.412 -3.463 1.00 0.00 C ATOM 1590 O ASP A 103 3.530 0.190 -4.310 1.00 0.00 O ATOM 1591 CB ASP A 103 4.046 -2.552 -2.802 1.00 0.00 C ATOM 1592 CG ASP A 103 5.579 -2.655 -2.834 1.00 0.00 C ATOM 1593 OD1 ASP A 103 6.186 -2.947 -1.777 1.00 0.00 O ATOM 1594 OD2 ASP A 103 6.175 -2.449 -3.920 1.00 0.00 O ATOM 0 H ASP A 103 2.270 -2.208 -1.068 1.00 0.00 H new ATOM 0 HA ASP A 103 4.440 -0.559 -2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.643 -3.321 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.647 -2.745 -3.798 1.00 0.00 H new ATOM 1599 N LEU A 104 1.527 -0.403 -3.468 1.00 0.00 N ATOM 1600 CA LEU A 104 0.702 0.339 -4.434 1.00 0.00 C ATOM 1601 C LEU A 104 0.288 1.708 -3.892 1.00 0.00 C ATOM 1602 O LEU A 104 0.278 2.685 -4.635 1.00 0.00 O ATOM 1603 CB LEU A 104 -0.544 -0.481 -4.809 1.00 0.00 C ATOM 1604 CG LEU A 104 -0.263 -1.892 -5.364 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -1.594 -2.521 -5.783 1.00 0.00 C ATOM 1606 CD2 LEU A 104 0.719 -1.896 -6.544 1.00 0.00 C ATOM 0 H LEU A 104 0.974 -0.922 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 104 1.306 0.505 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.176 -0.575 -3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.115 0.076 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 104 0.214 -2.472 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.415 -3.521 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.254 -2.586 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.062 -1.905 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.873 -2.919 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.311 -1.298 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.672 -1.473 -6.226 1.00 0.00 H new ATOM 1618 N MET A 105 0.025 1.812 -2.588 1.00 0.00 N ATOM 1619 CA MET A 105 -0.316 3.067 -1.904 1.00 0.00 C ATOM 1620 C MET A 105 0.834 4.087 -1.922 1.00 0.00 C ATOM 1621 O MET A 105 0.581 5.289 -1.936 1.00 0.00 O ATOM 1622 CB MET A 105 -0.763 2.757 -0.466 1.00 0.00 C ATOM 1623 CG MET A 105 -2.111 2.021 -0.471 1.00 0.00 C ATOM 1624 SD MET A 105 -2.795 1.565 1.141 1.00 0.00 S ATOM 1625 CE MET A 105 -3.385 3.180 1.710 1.00 0.00 C ATOM 0 H MET A 105 0.043 1.008 -1.961 1.00 0.00 H new ATOM 0 HA MET A 105 -1.136 3.534 -2.449 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.010 2.146 0.032 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.849 3.683 0.102 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.839 2.649 -0.984 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.000 1.112 -1.063 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.961 3.055 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.533 3.831 1.904 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.017 3.628 0.943 1.00 0.00 H new ATOM 2271 N PHE B 2 -20.729 -5.515 6.177 1.00 0.00 N ATOM 2272 CA PHE B 2 -21.047 -5.314 7.596 1.00 0.00 C ATOM 2273 C PHE B 2 -20.295 -4.113 8.185 1.00 0.00 C ATOM 2274 O PHE B 2 -19.078 -4.002 8.033 1.00 0.00 O ATOM 2275 CB PHE B 2 -20.740 -6.591 8.385 1.00 0.00 C ATOM 2276 CG PHE B 2 -21.354 -6.585 9.771 1.00 0.00 C ATOM 2277 CD1 PHE B 2 -20.663 -6.015 10.858 1.00 0.00 C ATOM 2278 CD2 PHE B 2 -22.642 -7.120 9.967 1.00 0.00 C ATOM 2279 CE1 PHE B 2 -21.259 -5.976 12.132 1.00 0.00 C ATOM 2280 CE2 PHE B 2 -23.234 -7.087 11.241 1.00 0.00 C ATOM 2281 CZ PHE B 2 -22.546 -6.511 12.324 1.00 0.00 C ATOM 0 HA PHE B 2 -22.112 -5.094 7.676 1.00 0.00 H new ATOM 0 HB2 PHE B 2 -21.112 -7.453 7.831 1.00 0.00 H new ATOM 0 HB3 PHE B 2 -19.660 -6.709 8.471 1.00 0.00 H new ATOM 0 HD1 PHE B 2 -19.674 -5.607 10.713 1.00 0.00 H new ATOM 0 HD2 PHE B 2 -23.176 -7.557 9.136 1.00 0.00 H new ATOM 0 HE1 PHE B 2 -20.728 -5.535 12.963 1.00 0.00 H new ATOM 0 HE2 PHE B 2 -24.219 -7.505 11.389 1.00 0.00 H new ATOM 0 HZ PHE B 2 -23.005 -6.479 13.301 1.00 0.00 H new ATOM 2291 N ARG B 3 -21.026 -3.243 8.892 1.00 0.00 N ATOM 2292 CA ARG B 3 -20.504 -2.039 9.546 1.00 0.00 C ATOM 2293 C ARG B 3 -19.959 -2.363 10.949 1.00 0.00 C ATOM 2294 O ARG B 3 -20.724 -2.495 11.908 1.00 0.00 O ATOM 2295 CB ARG B 3 -21.578 -0.924 9.566 1.00 0.00 C ATOM 2296 CG ARG B 3 -22.989 -1.332 10.053 1.00 0.00 C ATOM 2297 CD ARG B 3 -23.957 -1.695 8.914 1.00 0.00 C ATOM 2298 NE ARG B 3 -25.148 -2.408 9.420 1.00 0.00 N ATOM 2299 CZ ARG B 3 -26.215 -1.881 10.012 1.00 0.00 C ATOM 2300 NH1 ARG B 3 -26.340 -0.586 10.217 1.00 0.00 N ATOM 2301 NH2 ARG B 3 -27.190 -2.668 10.415 1.00 0.00 N ATOM 0 H ARG B 3 -22.030 -3.362 9.029 1.00 0.00 H new ATOM 0 HA ARG B 3 -19.661 -1.662 8.967 1.00 0.00 H new ATOM 0 HB2 ARG B 3 -21.218 -0.115 10.202 1.00 0.00 H new ATOM 0 HB3 ARG B 3 -21.669 -0.520 8.558 1.00 0.00 H new ATOM 0 HG2 ARG B 3 -22.899 -2.184 10.726 1.00 0.00 H new ATOM 0 HG3 ARG B 3 -23.415 -0.512 10.632 1.00 0.00 H new ATOM 0 HD2 ARG B 3 -24.268 -0.787 8.397 1.00 0.00 H new ATOM 0 HD3 ARG B 3 -23.442 -2.318 8.183 1.00 0.00 H new ATOM 0 HE ARG B 3 -25.152 -3.421 9.301 1.00 0.00 H new ATOM 0 HH11 ARG B 3 -25.602 0.051 9.918 1.00 0.00 H new ATOM 0 HH12 ARG B 3 -27.175 -0.220 10.675 1.00 0.00 H new ATOM 0 HH21 ARG B 3 -27.124 -3.676 10.272 1.00 0.00 H new ATOM 0 HH22 ARG B 3 -28.012 -2.270 10.870 1.00 0.00 H new ATOM 2315 N LEU B 4 -18.636 -2.503 11.088 1.00 0.00 N ATOM 2316 CA LEU B 4 -17.997 -2.765 12.388 1.00 0.00 C ATOM 2317 C LEU B 4 -17.901 -1.510 13.264 1.00 0.00 C ATOM 2318 O LEU B 4 -17.796 -0.384 12.772 1.00 0.00 O ATOM 2319 CB LEU B 4 -16.605 -3.386 12.191 1.00 0.00 C ATOM 2320 CG LEU B 4 -16.614 -4.861 11.774 1.00 0.00 C ATOM 2321 CD1 LEU B 4 -15.173 -5.277 11.476 1.00 0.00 C ATOM 2322 CD2 LEU B 4 -17.168 -5.795 12.853 1.00 0.00 C ATOM 0 H LEU B 4 -17.980 -2.439 10.310 1.00 0.00 H new ATOM 0 HA LEU B 4 -18.636 -3.474 12.915 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -16.070 -2.812 11.434 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -16.044 -3.289 13.121 1.00 0.00 H new ATOM 0 HG LEU B 4 -17.266 -4.950 10.905 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -15.151 -6.325 11.176 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -14.776 -4.661 10.670 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -14.563 -5.143 12.369 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -17.145 -6.823 12.491 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -16.558 -5.713 13.753 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -18.196 -5.515 13.084 1.00 0.00 H new ATOM 2334 N ARG B 5 -17.900 -1.749 14.580 1.00 0.00 N ATOM 2335 CA ARG B 5 -17.819 -0.722 15.633 1.00 0.00 C ATOM 2336 C ARG B 5 -16.373 -0.346 16.006 1.00 0.00 C ATOM 2337 O ARG B 5 -16.111 0.797 16.380 1.00 0.00 O ATOM 2338 CB ARG B 5 -18.572 -1.218 16.880 1.00 0.00 C ATOM 2339 CG ARG B 5 -20.097 -1.230 16.678 1.00 0.00 C ATOM 2340 CD ARG B 5 -20.826 -1.843 17.883 1.00 0.00 C ATOM 2341 NE ARG B 5 -20.796 -3.321 17.854 1.00 0.00 N ATOM 2342 CZ ARG B 5 -21.765 -4.124 17.423 1.00 0.00 C ATOM 2343 NH1 ARG B 5 -22.897 -3.665 16.930 1.00 0.00 N ATOM 2344 NH2 ARG B 5 -21.608 -5.428 17.485 1.00 0.00 N ATOM 0 H ARG B 5 -17.957 -2.695 14.958 1.00 0.00 H new ATOM 0 HA ARG B 5 -18.280 0.184 15.239 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -18.233 -2.224 17.130 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -18.326 -0.579 17.728 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -20.451 -0.211 16.519 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -20.340 -1.796 15.779 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -20.364 -1.489 18.805 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -21.861 -1.501 17.893 1.00 0.00 H new ATOM 0 HE ARG B 5 -19.947 -3.770 18.199 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -23.056 -2.659 16.868 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -23.615 -4.315 16.610 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -20.746 -5.820 17.863 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -22.349 -6.047 17.156 1.00 0.00 H new ATOM 2358 N HIS B 6 -15.434 -1.290 15.883 1.00 0.00 N ATOM 2359 CA HIS B 6 -14.010 -1.153 16.240 1.00 0.00 C ATOM 2360 C HIS B 6 -13.103 -1.917 15.253 1.00 0.00 C ATOM 2361 O HIS B 6 -13.564 -2.829 14.559 1.00 0.00 O ATOM 2362 CB HIS B 6 -13.794 -1.671 17.673 1.00 0.00 C ATOM 2363 CG HIS B 6 -14.600 -0.955 18.724 1.00 0.00 C ATOM 2364 ND1 HIS B 6 -14.234 0.232 19.361 1.00 0.00 N ATOM 2365 CD2 HIS B 6 -15.811 -1.364 19.200 1.00 0.00 C ATOM 2366 CE1 HIS B 6 -15.242 0.511 20.205 1.00 0.00 C ATOM 2367 NE2 HIS B 6 -16.204 -0.428 20.132 1.00 0.00 N ATOM 0 H HIS B 6 -15.652 -2.216 15.515 1.00 0.00 H new ATOM 0 HA HIS B 6 -13.739 -0.099 16.184 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -14.042 -2.732 17.703 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -12.736 -1.583 17.922 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -16.356 -2.249 18.904 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -15.276 1.373 20.855 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -17.070 -0.444 20.671 1.00 0.00 H new ATOM 2375 N PHE B 7 -11.813 -1.559 15.181 1.00 0.00 N ATOM 2376 CA PHE B 7 -10.879 -2.164 14.225 1.00 0.00 C ATOM 2377 C PHE B 7 -10.371 -3.538 14.724 1.00 0.00 C ATOM 2378 O PHE B 7 -9.845 -3.606 15.842 1.00 0.00 O ATOM 2379 CB PHE B 7 -9.733 -1.187 13.911 1.00 0.00 C ATOM 2380 CG PHE B 7 -9.066 -1.481 12.584 1.00 0.00 C ATOM 2381 CD1 PHE B 7 -9.825 -1.416 11.402 1.00 0.00 C ATOM 2382 CD2 PHE B 7 -7.707 -1.837 12.517 1.00 0.00 C ATOM 2383 CE1 PHE B 7 -9.248 -1.741 10.168 1.00 0.00 C ATOM 2384 CE2 PHE B 7 -7.118 -2.107 11.270 1.00 0.00 C ATOM 2385 CZ PHE B 7 -7.889 -2.077 10.096 1.00 0.00 C ATOM 0 H PHE B 7 -11.392 -0.848 15.779 1.00 0.00 H new ATOM 0 HA PHE B 7 -11.408 -2.357 13.292 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -10.121 -0.168 13.901 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -8.989 -1.237 14.706 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -10.861 -1.113 11.446 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -7.119 -1.903 13.420 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.850 -1.733 9.272 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -6.065 -2.339 11.214 1.00 0.00 H new ATOM 0 HZ PHE B 7 -7.437 -2.311 9.143 1.00 0.00 H new ATOM 2395 N PRO B 8 -10.528 -4.630 13.942 1.00 0.00 N ATOM 2396 CA PRO B 8 -10.257 -5.992 14.404 1.00 0.00 C ATOM 2397 C PRO B 8 -8.779 -6.401 14.316 1.00 0.00 C ATOM 2398 O PRO B 8 -8.351 -7.273 15.073 1.00 0.00 O ATOM 2399 CB PRO B 8 -11.119 -6.887 13.506 1.00 0.00 C ATOM 2400 CG PRO B 8 -11.149 -6.122 12.185 1.00 0.00 C ATOM 2401 CD PRO B 8 -11.176 -4.665 12.637 1.00 0.00 C ATOM 0 HA PRO B 8 -10.494 -6.081 15.464 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -10.683 -7.879 13.388 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -12.120 -7.025 13.915 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -10.274 -6.339 11.572 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -12.026 -6.377 11.590 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -10.652 -4.027 11.925 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -12.200 -4.297 12.701 1.00 0.00 H new ATOM 2409 N CYS B 9 -7.993 -5.791 13.420 1.00 0.00 N ATOM 2410 CA CYS B 9 -6.594 -6.154 13.188 1.00 0.00 C ATOM 2411 C CYS B 9 -5.668 -5.511 14.238 1.00 0.00 C ATOM 2412 O CYS B 9 -5.669 -4.287 14.411 1.00 0.00 O ATOM 2413 CB CYS B 9 -6.207 -5.740 11.761 1.00 0.00 C ATOM 2414 SG CYS B 9 -7.246 -6.601 10.542 1.00 0.00 S ATOM 0 H CYS B 9 -8.316 -5.024 12.831 1.00 0.00 H new ATOM 0 HA CYS B 9 -6.476 -7.233 13.291 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -6.319 -4.662 11.646 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -5.157 -5.972 11.581 1.00 0.00 H new ATOM 0 HG CYS B 9 -7.217 -5.956 9.414 1.00 0.00 H new ATOM 2420 N GLY B 10 -4.848 -6.330 14.909 1.00 0.00 N ATOM 2421 CA GLY B 10 -3.882 -5.877 15.925 1.00 0.00 C ATOM 2422 C GLY B 10 -2.606 -5.261 15.341 1.00 0.00 C ATOM 2423 O GLY B 10 -1.885 -4.562 16.056 1.00 0.00 O ATOM 0 H GLY B 10 -4.835 -7.339 14.762 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -4.366 -5.143 16.569 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.609 -6.724 16.555 1.00 0.00 H new ATOM 2427 N ASN B 11 -2.342 -5.480 14.048 1.00 0.00 N ATOM 2428 CA ASN B 11 -1.199 -4.937 13.310 1.00 0.00 C ATOM 2429 C ASN B 11 -1.710 -4.130 12.102 1.00 0.00 C ATOM 2430 O ASN B 11 -2.417 -4.670 11.248 1.00 0.00 O ATOM 2431 CB ASN B 11 -0.276 -6.086 12.858 1.00 0.00 C ATOM 2432 CG ASN B 11 0.514 -6.729 14.001 1.00 0.00 C ATOM 2433 OD1 ASN B 11 -0.035 -7.243 14.969 1.00 0.00 O ATOM 2434 ND2 ASN B 11 1.834 -6.733 13.921 1.00 0.00 N ATOM 0 H ASN B 11 -2.943 -6.063 13.466 1.00 0.00 H new ATOM 0 HA ASN B 11 -0.623 -4.273 13.954 1.00 0.00 H new ATOM 0 HB2 ASN B 11 -0.878 -6.852 12.369 1.00 0.00 H new ATOM 0 HB3 ASN B 11 0.424 -5.706 12.114 1.00 0.00 H new ATOM 0 HD21 ASN B 11 2.389 -7.162 14.662 1.00 0.00 H new ATOM 0 HD22 ASN B 11 2.298 -6.307 13.118 1.00 0.00 H new ATOM 2441 N VAL B 12 -1.374 -2.836 12.051 1.00 0.00 N ATOM 2442 CA VAL B 12 -1.854 -1.868 11.059 1.00 0.00 C ATOM 2443 C VAL B 12 -0.714 -0.961 10.579 1.00 0.00 C ATOM 2444 O VAL B 12 0.324 -0.847 11.236 1.00 0.00 O ATOM 2445 CB VAL B 12 -3.047 -1.026 11.594 1.00 0.00 C ATOM 2446 CG1 VAL B 12 -3.891 -1.728 12.668 1.00 0.00 C ATOM 2447 CG2 VAL B 12 -2.714 0.387 12.111 1.00 0.00 C ATOM 0 H VAL B 12 -0.735 -2.418 12.727 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.220 -2.439 10.205 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.624 -0.917 10.675 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.700 -1.069 12.983 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.310 -2.647 12.258 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.262 -1.967 13.526 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.627 0.873 12.456 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.007 0.315 12.937 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.273 0.974 11.306 1.00 0.00 H new ATOM 2457 N ASN B 13 -0.947 -0.270 9.465 1.00 0.00 N ATOM 2458 CA ASN B 13 -0.086 0.782 8.921 1.00 0.00 C ATOM 2459 C ASN B 13 -0.906 1.891 8.232 1.00 0.00 C ATOM 2460 O ASN B 13 -2.082 1.717 7.899 1.00 0.00 O ATOM 2461 CB ASN B 13 1.058 0.207 8.050 1.00 0.00 C ATOM 2462 CG ASN B 13 0.692 -0.823 6.979 1.00 0.00 C ATOM 2463 OD1 ASN B 13 -0.329 -1.492 7.008 1.00 0.00 O ATOM 2464 ND2 ASN B 13 1.572 -1.030 6.014 1.00 0.00 N ATOM 0 H ASN B 13 -1.775 -0.433 8.892 1.00 0.00 H new ATOM 0 HA ASN B 13 0.414 1.268 9.758 1.00 0.00 H new ATOM 0 HB2 ASN B 13 1.554 1.042 7.556 1.00 0.00 H new ATOM 0 HB3 ASN B 13 1.790 -0.249 8.717 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.394 -1.742 5.305 1.00 0.00 H new ATOM 0 HD22 ASN B 13 2.429 -0.478 5.978 1.00 0.00 H new ATOM 2471 N TYR B 14 -0.282 3.066 8.082 1.00 0.00 N ATOM 2472 CA TYR B 14 -0.927 4.314 7.656 1.00 0.00 C ATOM 2473 C TYR B 14 -0.214 4.889 6.416 1.00 0.00 C ATOM 2474 O TYR B 14 0.918 5.374 6.503 1.00 0.00 O ATOM 2475 CB TYR B 14 -0.925 5.317 8.829 1.00 0.00 C ATOM 2476 CG TYR B 14 -1.370 4.770 10.179 1.00 0.00 C ATOM 2477 CD1 TYR B 14 -2.735 4.540 10.449 1.00 0.00 C ATOM 2478 CD2 TYR B 14 -0.410 4.497 11.177 1.00 0.00 C ATOM 2479 CE1 TYR B 14 -3.140 4.057 11.709 1.00 0.00 C ATOM 2480 CE2 TYR B 14 -0.808 4.017 12.440 1.00 0.00 C ATOM 2481 CZ TYR B 14 -2.178 3.805 12.714 1.00 0.00 C ATOM 2482 OH TYR B 14 -2.564 3.364 13.944 1.00 0.00 O ATOM 0 H TYR B 14 0.716 3.178 8.259 1.00 0.00 H new ATOM 0 HA TYR B 14 -1.961 4.116 7.374 1.00 0.00 H new ATOM 0 HB2 TYR B 14 0.083 5.717 8.936 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.574 6.153 8.567 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.474 4.735 9.686 1.00 0.00 H new ATOM 0 HD2 TYR B 14 0.638 4.657 10.971 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -4.187 3.879 11.907 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -0.067 3.811 13.198 1.00 0.00 H new ATOM 0 HH TYR B 14 -1.774 3.242 14.511 1.00 0.00 H new