USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 425 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 50 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-5.2!) USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 22 CYS SG : rot 90:sc= 0.344! USER MOD Set 2.2: A 25 CYS SG : rot -55:sc= -0.0963 USER MOD Set 2.3: A 42 CYS SG : rot 84:sc= 1.18 USER MOD Set 2.4: A 45 CYS SG : rot 128:sc= -1.31 USER MOD Set 3.1: A 37 CYS SG : rot 93:sc= 0.634 USER MOD Set 3.2: A 39 HIS : no HD1:sc= -1.1 K(o=0.18,f=-0.68) USER MOD Set 3.3: A 62 CYS SG : rot 144:sc= 1.41 USER MOD Set 3.4: A 65 CYS SG : rot -55:sc= -0.768 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0518 X(o=-0.052,f=-0.3) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.26) USER MOD Single : A 47 THR OG1 : rot 90:sc= 0.0597 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= -0.109 (180deg=-1.08) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -39:sc= 1.02 USER MOD Single : A 54 MET CE :methyl -147:sc= -0.291 (180deg=-1.24) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.224 USER MOD Single : A 61 SER OG : rot 18:sc= 0.0798 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.069 K(o=-0.069,f=-1.8!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 232 N GLU A 19 -6.303 -9.169 -26.901 1.00 0.00 N ATOM 233 CA GLU A 19 -7.358 -8.450 -27.604 1.00 0.00 C ATOM 234 C GLU A 19 -7.609 -7.088 -26.963 1.00 0.00 C ATOM 235 O GLU A 19 -7.889 -6.107 -27.652 1.00 0.00 O ATOM 236 CB GLU A 19 -8.651 -9.269 -27.607 1.00 0.00 C ATOM 237 CG GLU A 19 -9.158 -9.610 -26.216 1.00 0.00 C ATOM 238 CD GLU A 19 -10.470 -10.369 -26.243 1.00 0.00 C ATOM 239 OE1 GLU A 19 -10.507 -11.471 -26.829 1.00 0.00 O ATOM 240 OE2 GLU A 19 -11.461 -9.861 -25.678 1.00 0.00 O ATOM 0 HA GLU A 19 -7.032 -8.295 -28.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.422 -8.713 -28.140 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.485 -10.193 -28.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.408 -10.206 -25.696 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.286 -8.691 -25.645 1.00 0.00 H new ATOM 247 N VAL A 20 -7.505 -7.036 -25.638 1.00 0.00 N ATOM 248 CA VAL A 20 -7.719 -5.795 -24.903 1.00 0.00 C ATOM 249 C VAL A 20 -6.668 -5.613 -23.814 1.00 0.00 C ATOM 250 O VAL A 20 -6.528 -6.452 -22.923 1.00 0.00 O ATOM 251 CB VAL A 20 -9.119 -5.758 -24.261 1.00 0.00 C ATOM 252 CG1 VAL A 20 -9.345 -4.433 -23.549 1.00 0.00 C ATOM 253 CG2 VAL A 20 -10.193 -5.998 -25.311 1.00 0.00 C ATOM 0 H VAL A 20 -7.274 -7.839 -25.052 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.636 -4.982 -25.624 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.182 -6.556 -23.521 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.339 -4.425 -23.102 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.595 -4.307 -22.768 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.263 -3.616 -24.266 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.175 -5.968 -24.840 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.134 -5.223 -26.076 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.040 -6.974 -25.771 1.00 0.00 H new ATOM 263 N THR A 21 -5.928 -4.511 -23.892 1.00 0.00 N ATOM 264 CA THR A 21 -4.888 -4.219 -22.914 1.00 0.00 C ATOM 265 C THR A 21 -5.105 -2.853 -22.272 1.00 0.00 C ATOM 266 O THR A 21 -5.722 -1.968 -22.866 1.00 0.00 O ATOM 267 CB THR A 21 -3.488 -4.255 -23.555 1.00 0.00 C ATOM 268 OG1 THR A 21 -3.341 -5.442 -24.342 1.00 0.00 O ATOM 269 CG2 THR A 21 -2.404 -4.210 -22.489 1.00 0.00 C ATOM 0 H THR A 21 -6.030 -3.806 -24.622 1.00 0.00 H new ATOM 0 HA THR A 21 -4.949 -4.992 -22.148 1.00 0.00 H new ATOM 0 HB THR A 21 -3.382 -3.379 -24.195 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.449 -5.457 -24.748 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.424 -4.237 -22.965 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.501 -3.292 -21.910 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.509 -5.069 -21.827 1.00 0.00 H new ATOM 277 N CYS A 22 -4.594 -2.687 -21.057 1.00 0.00 N ATOM 278 CA CYS A 22 -4.731 -1.429 -20.334 1.00 0.00 C ATOM 279 C CYS A 22 -3.692 -0.415 -20.805 1.00 0.00 C ATOM 280 O CYS A 22 -2.486 -0.654 -20.751 1.00 0.00 O ATOM 281 CB CYS A 22 -4.586 -1.662 -18.829 1.00 0.00 C ATOM 282 SG CYS A 22 -4.816 -0.164 -17.819 1.00 0.00 S ATOM 0 H CYS A 22 -4.081 -3.409 -20.552 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.724 -1.028 -20.538 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.312 -2.413 -18.517 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.596 -2.073 -18.630 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.071 -0.043 -17.501 1.00 0.00 H new ATOM 287 N PRO A 23 -4.171 0.746 -21.278 1.00 0.00 N ATOM 288 CA PRO A 23 -3.301 1.820 -21.767 1.00 0.00 C ATOM 289 C PRO A 23 -2.517 2.488 -20.642 1.00 0.00 C ATOM 290 O PRO A 23 -1.761 3.432 -20.876 1.00 0.00 O ATOM 291 CB PRO A 23 -4.282 2.811 -22.397 1.00 0.00 C ATOM 292 CG PRO A 23 -5.572 2.568 -21.693 1.00 0.00 C ATOM 293 CD PRO A 23 -5.597 1.099 -21.371 1.00 0.00 C ATOM 0 HA PRO A 23 -2.545 1.449 -22.459 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.946 3.839 -22.264 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.379 2.644 -23.470 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.640 3.168 -20.785 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.418 2.844 -22.322 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.122 0.901 -20.436 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.103 0.526 -22.148 1.00 0.00 H new ATOM 301 N ILE A 24 -2.702 1.993 -19.423 1.00 0.00 N ATOM 302 CA ILE A 24 -2.010 2.542 -18.263 1.00 0.00 C ATOM 303 C ILE A 24 -0.895 1.612 -17.798 1.00 0.00 C ATOM 304 O ILE A 24 0.288 1.933 -17.922 1.00 0.00 O ATOM 305 CB ILE A 24 -2.981 2.787 -17.093 1.00 0.00 C ATOM 306 CG1 ILE A 24 -3.768 4.079 -17.317 1.00 0.00 C ATOM 307 CG2 ILE A 24 -2.220 2.845 -15.777 1.00 0.00 C ATOM 308 CD1 ILE A 24 -5.166 4.044 -16.739 1.00 0.00 C ATOM 0 H ILE A 24 -3.325 1.213 -19.213 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.580 3.494 -18.573 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.687 1.958 -17.046 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.221 4.910 -16.872 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.831 4.275 -18.387 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.920 3.019 -14.959 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.700 1.901 -15.615 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.494 3.657 -15.812 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.665 4.993 -16.935 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.731 3.235 -17.202 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.111 3.879 -15.663 1.00 0.00 H new ATOM 320 N CYS A 25 -1.278 0.458 -17.263 1.00 0.00 N ATOM 321 CA CYS A 25 -0.312 -0.520 -16.780 1.00 0.00 C ATOM 322 C CYS A 25 0.197 -1.394 -17.923 1.00 0.00 C ATOM 323 O CYS A 25 1.149 -2.158 -17.760 1.00 0.00 O ATOM 324 CB CYS A 25 -0.940 -1.397 -15.695 1.00 0.00 C ATOM 325 SG CYS A 25 -2.446 -2.274 -16.227 1.00 0.00 S ATOM 0 H CYS A 25 -2.252 0.177 -17.153 1.00 0.00 H new ATOM 0 HA CYS A 25 0.533 0.022 -16.356 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.204 -2.129 -15.364 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.180 -0.774 -14.833 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.311 -1.416 -16.680 1.00 0.00 H new ATOM 330 N LEU A 26 -0.445 -1.275 -19.080 1.00 0.00 N ATOM 331 CA LEU A 26 -0.058 -2.053 -20.252 1.00 0.00 C ATOM 332 C LEU A 26 -0.193 -3.549 -19.982 1.00 0.00 C ATOM 333 O LEU A 26 0.541 -4.359 -20.546 1.00 0.00 O ATOM 334 CB LEU A 26 1.380 -1.724 -20.656 1.00 0.00 C ATOM 335 CG LEU A 26 1.679 -0.250 -20.931 1.00 0.00 C ATOM 336 CD1 LEU A 26 3.023 -0.099 -21.628 1.00 0.00 C ATOM 337 CD2 LEU A 26 0.570 0.373 -21.766 1.00 0.00 C ATOM 0 H LEU A 26 -1.235 -0.648 -19.232 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.728 -1.788 -21.070 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.046 -2.068 -19.865 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.625 -2.297 -21.550 1.00 0.00 H new ATOM 0 HG LEU A 26 1.726 0.275 -19.977 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.219 0.957 -21.816 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.810 -0.507 -20.993 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.004 -0.639 -22.575 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.800 1.422 -21.952 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.490 -0.155 -22.716 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.376 0.298 -21.229 1.00 0.00 H new ATOM 349 N GLU A 27 -1.139 -3.906 -19.118 1.00 0.00 N ATOM 350 CA GLU A 27 -1.370 -5.304 -18.776 1.00 0.00 C ATOM 351 C GLU A 27 -2.689 -5.797 -19.364 1.00 0.00 C ATOM 352 O GLU A 27 -3.568 -5.003 -19.700 1.00 0.00 O ATOM 353 CB GLU A 27 -1.378 -5.485 -17.256 1.00 0.00 C ATOM 354 CG GLU A 27 -0.161 -4.892 -16.566 1.00 0.00 C ATOM 355 CD GLU A 27 1.012 -5.852 -16.525 1.00 0.00 C ATOM 356 OE1 GLU A 27 1.706 -5.986 -17.554 1.00 0.00 O ATOM 357 OE2 GLU A 27 1.235 -6.469 -15.462 1.00 0.00 O ATOM 0 H GLU A 27 -1.756 -3.247 -18.643 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.559 -5.895 -19.202 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.277 -5.023 -16.848 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.433 -6.549 -17.026 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.138 -3.981 -17.084 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.428 -4.607 -15.548 1.00 0.00 H new ATOM 364 N LEU A 28 -2.819 -7.114 -19.487 1.00 0.00 N ATOM 365 CA LEU A 28 -4.030 -7.715 -20.035 1.00 0.00 C ATOM 366 C LEU A 28 -5.264 -7.249 -19.270 1.00 0.00 C ATOM 367 O LEU A 28 -5.453 -7.598 -18.104 1.00 0.00 O ATOM 368 CB LEU A 28 -3.932 -9.241 -19.987 1.00 0.00 C ATOM 369 CG LEU A 28 -5.244 -10.003 -20.177 1.00 0.00 C ATOM 370 CD1 LEU A 28 -6.004 -9.469 -21.380 1.00 0.00 C ATOM 371 CD2 LEU A 28 -4.977 -11.494 -20.331 1.00 0.00 C ATOM 0 H LEU A 28 -2.101 -7.785 -19.215 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.127 -7.395 -21.073 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.232 -9.565 -20.757 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.504 -9.528 -19.026 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.860 -9.853 -19.290 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.935 -10.024 -21.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.228 -8.413 -21.229 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.395 -9.586 -22.276 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.922 -12.021 -20.465 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.341 -11.662 -21.200 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.477 -11.868 -19.438 1.00 0.00 H new ATOM 383 N LEU A 29 -6.103 -6.461 -19.933 1.00 0.00 N ATOM 384 CA LEU A 29 -7.321 -5.948 -19.317 1.00 0.00 C ATOM 385 C LEU A 29 -8.353 -7.058 -19.146 1.00 0.00 C ATOM 386 O LEU A 29 -9.115 -7.361 -20.065 1.00 0.00 O ATOM 387 CB LEU A 29 -7.908 -4.816 -20.162 1.00 0.00 C ATOM 388 CG LEU A 29 -7.482 -3.400 -19.776 1.00 0.00 C ATOM 389 CD1 LEU A 29 -8.124 -2.378 -20.702 1.00 0.00 C ATOM 390 CD2 LEU A 29 -7.845 -3.110 -18.327 1.00 0.00 C ATOM 0 H LEU A 29 -5.962 -6.163 -20.898 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.064 -5.560 -18.331 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.632 -4.986 -21.203 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.995 -4.875 -20.107 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.400 -3.326 -19.881 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.809 -1.376 -20.412 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.815 -2.572 -21.729 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.209 -2.453 -20.630 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.534 -2.097 -18.070 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.923 -3.203 -18.196 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.338 -3.822 -17.675 1.00 0.00 H new ATOM 402 N THR A 30 -8.376 -7.661 -17.961 1.00 0.00 N ATOM 403 CA THR A 30 -9.315 -8.737 -17.669 1.00 0.00 C ATOM 404 C THR A 30 -10.718 -8.191 -17.427 1.00 0.00 C ATOM 405 O THR A 30 -11.640 -8.466 -18.193 1.00 0.00 O ATOM 406 CB THR A 30 -8.873 -9.549 -16.437 1.00 0.00 C ATOM 407 OG1 THR A 30 -7.483 -9.877 -16.540 1.00 0.00 O ATOM 408 CG2 THR A 30 -9.692 -10.825 -16.308 1.00 0.00 C ATOM 0 H THR A 30 -7.755 -7.422 -17.188 1.00 0.00 H new ATOM 0 HA THR A 30 -9.328 -9.391 -18.541 1.00 0.00 H new ATOM 0 HB THR A 30 -9.037 -8.939 -15.549 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.209 -10.392 -15.752 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.362 -11.382 -15.431 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.747 -10.571 -16.201 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.555 -11.437 -17.199 1.00 0.00 H new ATOM 416 N GLN A 31 -10.870 -7.417 -16.357 1.00 0.00 N ATOM 417 CA GLN A 31 -12.162 -6.833 -16.016 1.00 0.00 C ATOM 418 C GLN A 31 -12.111 -5.311 -16.103 1.00 0.00 C ATOM 419 O GLN A 31 -12.304 -4.602 -15.115 1.00 0.00 O ATOM 420 CB GLN A 31 -12.583 -7.262 -14.609 1.00 0.00 C ATOM 421 CG GLN A 31 -11.544 -6.952 -13.542 1.00 0.00 C ATOM 422 CD GLN A 31 -12.155 -6.783 -12.165 1.00 0.00 C ATOM 423 OE1 GLN A 31 -13.145 -6.071 -11.995 1.00 0.00 O ATOM 424 NE2 GLN A 31 -11.566 -7.439 -11.172 1.00 0.00 N ATOM 0 H GLN A 31 -10.116 -7.180 -15.712 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.898 -7.195 -16.734 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.517 -6.764 -14.350 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.783 -8.334 -14.609 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.808 -7.755 -13.513 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.011 -6.041 -13.813 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.747 -8.018 -11.358 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.932 -7.364 -10.223 1.00 0.00 H new ATOM 433 N PRO A 32 -11.846 -4.795 -17.312 1.00 0.00 N ATOM 434 CA PRO A 32 -11.764 -3.352 -17.557 1.00 0.00 C ATOM 435 C PRO A 32 -13.123 -2.669 -17.456 1.00 0.00 C ATOM 436 O PRO A 32 -14.163 -3.329 -17.463 1.00 0.00 O ATOM 437 CB PRO A 32 -11.227 -3.265 -18.987 1.00 0.00 C ATOM 438 CG PRO A 32 -11.638 -4.547 -19.625 1.00 0.00 C ATOM 439 CD PRO A 32 -11.606 -5.581 -18.534 1.00 0.00 C ATOM 0 HA PRO A 32 -11.138 -2.849 -16.821 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.645 -2.408 -19.515 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.143 -3.148 -18.996 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.636 -4.466 -20.057 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.960 -4.814 -20.436 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.373 -6.342 -18.679 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -10.647 -6.097 -18.498 1.00 0.00 H new ATOM 447 N LEU A 33 -13.109 -1.344 -17.361 1.00 0.00 N ATOM 448 CA LEU A 33 -14.342 -0.571 -17.259 1.00 0.00 C ATOM 449 C LEU A 33 -14.708 0.049 -18.603 1.00 0.00 C ATOM 450 O LEU A 33 -14.028 -0.169 -19.605 1.00 0.00 O ATOM 451 CB LEU A 33 -14.193 0.525 -16.202 1.00 0.00 C ATOM 452 CG LEU A 33 -13.731 0.066 -14.819 1.00 0.00 C ATOM 453 CD1 LEU A 33 -13.462 1.263 -13.921 1.00 0.00 C ATOM 454 CD2 LEU A 33 -14.766 -0.854 -14.189 1.00 0.00 C ATOM 0 H LEU A 33 -12.258 -0.782 -17.352 1.00 0.00 H new ATOM 0 HA LEU A 33 -15.143 -1.248 -16.962 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.484 1.265 -16.573 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.153 1.030 -16.093 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.801 -0.491 -14.934 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.134 0.916 -12.941 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.684 1.884 -14.365 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.375 1.849 -13.812 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.420 -1.171 -13.205 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -15.712 -0.322 -14.087 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.908 -1.729 -14.823 1.00 0.00 H new ATOM 466 N SER A 34 -15.787 0.826 -18.616 1.00 0.00 N ATOM 467 CA SER A 34 -16.245 1.477 -19.838 1.00 0.00 C ATOM 468 C SER A 34 -16.419 2.978 -19.622 1.00 0.00 C ATOM 469 O SER A 34 -16.640 3.433 -18.499 1.00 0.00 O ATOM 470 CB SER A 34 -17.566 0.862 -20.305 1.00 0.00 C ATOM 471 OG SER A 34 -17.988 1.432 -21.531 1.00 0.00 O ATOM 0 H SER A 34 -16.360 1.020 -17.795 1.00 0.00 H new ATOM 0 HA SER A 34 -15.488 1.323 -20.607 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.448 -0.215 -20.423 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.332 1.018 -19.545 1.00 0.00 H new ATOM 0 HG SER A 34 -18.833 1.021 -21.809 1.00 0.00 H new ATOM 477 N LEU A 35 -16.316 3.741 -20.704 1.00 0.00 N ATOM 478 CA LEU A 35 -16.461 5.191 -20.634 1.00 0.00 C ATOM 479 C LEU A 35 -17.288 5.712 -21.805 1.00 0.00 C ATOM 480 O LEU A 35 -17.755 4.938 -22.642 1.00 0.00 O ATOM 481 CB LEU A 35 -15.086 5.861 -20.628 1.00 0.00 C ATOM 482 CG LEU A 35 -14.110 5.380 -19.554 1.00 0.00 C ATOM 483 CD1 LEU A 35 -12.728 5.971 -19.786 1.00 0.00 C ATOM 484 CD2 LEU A 35 -14.622 5.744 -18.167 1.00 0.00 C ATOM 0 H LEU A 35 -16.133 3.380 -21.640 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.981 5.435 -19.708 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.625 5.708 -21.604 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.228 6.935 -20.507 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.034 4.295 -19.618 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.047 5.618 -19.012 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.359 5.661 -20.764 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.787 7.059 -19.749 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.915 5.394 -17.415 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.727 6.826 -18.090 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.591 5.273 -18.001 1.00 0.00 H new ATOM 496 N ASP A 36 -17.464 7.027 -21.860 1.00 0.00 N ATOM 497 CA ASP A 36 -18.232 7.653 -22.930 1.00 0.00 C ATOM 498 C ASP A 36 -17.306 8.270 -23.974 1.00 0.00 C ATOM 499 O ASP A 36 -17.623 9.300 -24.569 1.00 0.00 O ATOM 500 CB ASP A 36 -19.164 8.723 -22.360 1.00 0.00 C ATOM 501 CG ASP A 36 -18.525 9.504 -21.229 1.00 0.00 C ATOM 502 OD1 ASP A 36 -17.278 9.573 -21.185 1.00 0.00 O ATOM 503 OD2 ASP A 36 -19.271 10.047 -20.387 1.00 0.00 O ATOM 0 H ASP A 36 -17.085 7.681 -21.175 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.831 6.881 -23.413 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -19.452 9.411 -23.155 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.078 8.250 -22.000 1.00 0.00 H new ATOM 508 N CYS A 37 -16.160 7.634 -24.191 1.00 0.00 N ATOM 509 CA CYS A 37 -15.187 8.120 -25.161 1.00 0.00 C ATOM 510 C CYS A 37 -14.773 7.008 -26.121 1.00 0.00 C ATOM 511 O CYS A 37 -14.529 7.252 -27.301 1.00 0.00 O ATOM 512 CB CYS A 37 -13.954 8.675 -24.444 1.00 0.00 C ATOM 513 SG CYS A 37 -12.857 7.395 -23.753 1.00 0.00 S ATOM 0 H CYS A 37 -15.882 6.780 -23.707 1.00 0.00 H new ATOM 0 HA CYS A 37 -15.654 8.918 -25.738 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.385 9.287 -25.144 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -14.281 9.332 -23.638 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.926 7.110 -24.615 1.00 0.00 H new ATOM 518 N GLY A 38 -14.697 5.785 -25.603 1.00 0.00 N ATOM 519 CA GLY A 38 -14.313 4.654 -26.427 1.00 0.00 C ATOM 520 C GLY A 38 -12.994 4.044 -25.996 1.00 0.00 C ATOM 521 O GLY A 38 -12.166 3.682 -26.832 1.00 0.00 O ATOM 0 H GLY A 38 -14.894 5.558 -24.628 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.093 3.894 -26.382 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.239 4.974 -27.466 1.00 0.00 H new ATOM 525 N HIS A 39 -12.797 3.930 -24.686 1.00 0.00 N ATOM 526 CA HIS A 39 -11.568 3.360 -24.145 1.00 0.00 C ATOM 527 C HIS A 39 -11.817 2.735 -22.775 1.00 0.00 C ATOM 528 O HIS A 39 -12.537 3.294 -21.949 1.00 0.00 O ATOM 529 CB HIS A 39 -10.486 4.435 -24.039 1.00 0.00 C ATOM 530 CG HIS A 39 -10.031 4.960 -25.366 1.00 0.00 C ATOM 531 ND1 HIS A 39 -10.211 6.270 -25.758 1.00 0.00 N ATOM 532 CD2 HIS A 39 -9.399 4.344 -26.392 1.00 0.00 C ATOM 533 CE1 HIS A 39 -9.711 6.436 -26.970 1.00 0.00 C ATOM 534 NE2 HIS A 39 -9.211 5.283 -27.377 1.00 0.00 N ATOM 0 H HIS A 39 -13.472 4.224 -23.980 1.00 0.00 H new ATOM 0 HA HIS A 39 -11.228 2.579 -24.825 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.866 5.263 -23.441 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.628 4.024 -23.507 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.098 3.307 -26.429 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.711 7.358 -27.532 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.759 5.117 -28.276 1.00 0.00 H new ATOM 542 N SER A 40 -11.216 1.572 -22.544 1.00 0.00 N ATOM 543 CA SER A 40 -11.376 0.868 -21.276 1.00 0.00 C ATOM 544 C SER A 40 -10.136 1.033 -20.403 1.00 0.00 C ATOM 545 O SER A 40 -9.076 1.440 -20.880 1.00 0.00 O ATOM 546 CB SER A 40 -11.646 -0.617 -21.524 1.00 0.00 C ATOM 547 OG SER A 40 -12.293 -0.817 -22.768 1.00 0.00 O ATOM 0 H SER A 40 -10.614 1.097 -23.217 1.00 0.00 H new ATOM 0 HA SER A 40 -12.228 1.302 -20.752 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.706 -1.169 -21.507 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.265 -1.016 -20.720 1.00 0.00 H new ATOM 0 HG SER A 40 -12.453 -1.774 -22.903 1.00 0.00 H new ATOM 553 N PHE A 41 -10.276 0.714 -19.121 1.00 0.00 N ATOM 554 CA PHE A 41 -9.168 0.827 -18.179 1.00 0.00 C ATOM 555 C PHE A 41 -9.411 -0.041 -16.948 1.00 0.00 C ATOM 556 O PHE A 41 -10.475 -0.641 -16.797 1.00 0.00 O ATOM 557 CB PHE A 41 -8.975 2.285 -17.759 1.00 0.00 C ATOM 558 CG PHE A 41 -8.786 3.223 -18.918 1.00 0.00 C ATOM 559 CD1 PHE A 41 -9.864 3.608 -19.697 1.00 0.00 C ATOM 560 CD2 PHE A 41 -7.529 3.718 -19.227 1.00 0.00 C ATOM 561 CE1 PHE A 41 -9.692 4.470 -20.764 1.00 0.00 C ATOM 562 CE2 PHE A 41 -7.351 4.581 -20.292 1.00 0.00 C ATOM 563 CZ PHE A 41 -8.435 4.958 -21.061 1.00 0.00 C ATOM 0 H PHE A 41 -11.146 0.375 -18.710 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.263 0.477 -18.676 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.841 2.606 -17.180 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.109 2.354 -17.101 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -10.850 3.231 -19.469 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -6.679 3.426 -18.629 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -10.541 4.762 -21.365 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.366 4.960 -20.523 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.299 5.633 -21.893 1.00 0.00 H new ATOM 573 N CYS A 42 -8.415 -0.102 -16.069 1.00 0.00 N ATOM 574 CA CYS A 42 -8.518 -0.896 -14.851 1.00 0.00 C ATOM 575 C CYS A 42 -9.299 -0.146 -13.777 1.00 0.00 C ATOM 576 O CYS A 42 -9.133 1.061 -13.604 1.00 0.00 O ATOM 577 CB CYS A 42 -7.124 -1.250 -14.330 1.00 0.00 C ATOM 578 SG CYS A 42 -6.187 -2.375 -15.415 1.00 0.00 S ATOM 0 H CYS A 42 -7.528 0.389 -16.178 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.054 -1.815 -15.090 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.553 -0.331 -14.198 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.221 -1.709 -13.346 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.603 -1.688 -16.352 1.00 0.00 H new ATOM 583 N GLN A 43 -10.151 -0.870 -13.058 1.00 0.00 N ATOM 584 CA GLN A 43 -10.958 -0.273 -12.001 1.00 0.00 C ATOM 585 C GLN A 43 -10.087 0.520 -11.033 1.00 0.00 C ATOM 586 O GLN A 43 -10.577 1.386 -10.308 1.00 0.00 O ATOM 587 CB GLN A 43 -11.727 -1.357 -11.243 1.00 0.00 C ATOM 588 CG GLN A 43 -12.492 -0.831 -10.039 1.00 0.00 C ATOM 589 CD GLN A 43 -13.732 -0.050 -10.431 1.00 0.00 C ATOM 590 OE1 GLN A 43 -14.790 -0.628 -10.680 1.00 0.00 O ATOM 591 NE2 GLN A 43 -13.606 1.270 -10.488 1.00 0.00 N ATOM 0 H GLN A 43 -10.300 -1.871 -13.188 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.669 0.411 -12.464 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.427 -1.839 -11.926 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.026 -2.123 -10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -12.780 -1.668 -9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.836 -0.192 -9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.709 1.706 -10.273 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -14.406 1.848 -10.746 1.00 0.00 H new ATOM 600 N ALA A 44 -8.793 0.218 -11.026 1.00 0.00 N ATOM 601 CA ALA A 44 -7.853 0.904 -10.148 1.00 0.00 C ATOM 602 C ALA A 44 -7.098 1.996 -10.898 1.00 0.00 C ATOM 603 O ALA A 44 -7.110 3.161 -10.497 1.00 0.00 O ATOM 604 CB ALA A 44 -6.877 -0.092 -9.539 1.00 0.00 C ATOM 0 H ALA A 44 -8.372 -0.497 -11.619 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.421 1.376 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.181 0.434 -8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.428 -0.834 -8.961 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.322 -0.590 -10.334 1.00 0.00 H new ATOM 610 N CYS A 45 -6.441 1.614 -11.987 1.00 0.00 N ATOM 611 CA CYS A 45 -5.679 2.560 -12.793 1.00 0.00 C ATOM 612 C CYS A 45 -6.480 3.837 -13.035 1.00 0.00 C ATOM 613 O CYS A 45 -5.920 4.933 -13.091 1.00 0.00 O ATOM 614 CB CYS A 45 -5.292 1.927 -14.131 1.00 0.00 C ATOM 615 SG CYS A 45 -4.135 0.528 -13.984 1.00 0.00 S ATOM 0 H CYS A 45 -6.421 0.654 -12.332 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.773 2.818 -12.245 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.196 1.585 -14.634 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.843 2.691 -14.766 1.00 0.00 H new ATOM 0 HG CYS A 45 -4.612 -0.499 -14.623 1.00 0.00 H new ATOM 620 N LEU A 46 -7.792 3.687 -13.178 1.00 0.00 N ATOM 621 CA LEU A 46 -8.671 4.827 -13.413 1.00 0.00 C ATOM 622 C LEU A 46 -8.740 5.725 -12.182 1.00 0.00 C ATOM 623 O LEU A 46 -8.576 6.942 -12.278 1.00 0.00 O ATOM 624 CB LEU A 46 -10.074 4.346 -13.786 1.00 0.00 C ATOM 625 CG LEU A 46 -10.379 4.260 -15.282 1.00 0.00 C ATOM 626 CD1 LEU A 46 -11.447 3.211 -15.550 1.00 0.00 C ATOM 627 CD2 LEU A 46 -10.815 5.616 -15.817 1.00 0.00 C ATOM 0 H LEU A 46 -8.271 2.787 -13.135 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.260 5.406 -14.240 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.227 3.360 -13.347 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.800 5.016 -13.326 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.468 3.963 -15.802 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.651 3.164 -16.620 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.097 2.238 -15.204 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.360 3.477 -15.018 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.028 5.535 -16.883 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.712 5.943 -15.292 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.018 6.343 -15.660 1.00 0.00 H new ATOM 639 N THR A 47 -8.981 5.117 -11.025 1.00 0.00 N ATOM 640 CA THR A 47 -9.070 5.861 -9.775 1.00 0.00 C ATOM 641 C THR A 47 -7.829 6.717 -9.555 1.00 0.00 C ATOM 642 O THR A 47 -7.925 7.871 -9.137 1.00 0.00 O ATOM 643 CB THR A 47 -9.249 4.917 -8.571 1.00 0.00 C ATOM 644 OG1 THR A 47 -10.464 4.172 -8.709 1.00 0.00 O ATOM 645 CG2 THR A 47 -9.274 5.701 -7.268 1.00 0.00 C ATOM 0 H THR A 47 -9.118 4.111 -10.928 1.00 0.00 H new ATOM 0 HA THR A 47 -9.944 6.507 -9.854 1.00 0.00 H new ATOM 0 HB THR A 47 -8.403 4.230 -8.547 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.285 3.343 -9.200 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.401 5.013 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.336 6.244 -7.152 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.103 6.409 -7.285 1.00 0.00 H new ATOM 653 N ALA A 48 -6.663 6.145 -9.839 1.00 0.00 N ATOM 654 CA ALA A 48 -5.402 6.858 -9.675 1.00 0.00 C ATOM 655 C ALA A 48 -5.243 7.944 -10.733 1.00 0.00 C ATOM 656 O ALA A 48 -4.742 9.031 -10.449 1.00 0.00 O ATOM 657 CB ALA A 48 -4.234 5.885 -9.735 1.00 0.00 C ATOM 0 H ALA A 48 -6.566 5.190 -10.184 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.410 7.339 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.299 6.431 -9.611 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.333 5.149 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.233 5.377 -10.700 1.00 0.00 H new ATOM 663 N ASN A 49 -5.673 7.642 -11.954 1.00 0.00 N ATOM 664 CA ASN A 49 -5.577 8.593 -13.055 1.00 0.00 C ATOM 665 C ASN A 49 -6.361 9.865 -12.745 1.00 0.00 C ATOM 666 O ASN A 49 -5.971 10.961 -13.150 1.00 0.00 O ATOM 667 CB ASN A 49 -6.098 7.962 -14.348 1.00 0.00 C ATOM 668 CG ASN A 49 -6.399 8.996 -15.416 1.00 0.00 C ATOM 669 OD1 ASN A 49 -7.547 9.165 -15.826 1.00 0.00 O ATOM 670 ND2 ASN A 49 -5.365 9.694 -15.871 1.00 0.00 N ATOM 0 H ASN A 49 -6.091 6.746 -12.206 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.527 8.857 -13.184 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.359 7.256 -14.728 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.002 7.393 -14.133 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.506 10.404 -16.590 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.430 9.520 -15.502 1.00 0.00 H new ATOM 677 N HIS A 50 -7.467 9.711 -12.024 1.00 0.00 N ATOM 678 CA HIS A 50 -8.305 10.848 -11.658 1.00 0.00 C ATOM 679 C HIS A 50 -7.555 11.799 -10.731 1.00 0.00 C ATOM 680 O HIS A 50 -7.328 12.962 -11.067 1.00 0.00 O ATOM 681 CB HIS A 50 -9.589 10.365 -10.984 1.00 0.00 C ATOM 682 CG HIS A 50 -10.419 9.467 -11.849 1.00 0.00 C ATOM 683 ND1 HIS A 50 -10.867 8.230 -11.438 1.00 0.00 N ATOM 684 CD2 HIS A 50 -10.883 9.634 -13.109 1.00 0.00 C ATOM 685 CE1 HIS A 50 -11.570 7.674 -12.408 1.00 0.00 C ATOM 686 NE2 HIS A 50 -11.595 8.506 -13.434 1.00 0.00 N ATOM 0 H HIS A 50 -7.804 8.811 -11.682 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.563 11.387 -12.570 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.331 9.835 -10.067 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.186 11.230 -10.695 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.723 10.495 -13.742 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.044 6.704 -12.369 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -12.066 8.338 -14.323 1.00 0.00 H new ATOM 694 N LYS A 51 -7.174 11.298 -9.561 1.00 0.00 N ATOM 695 CA LYS A 51 -6.449 12.102 -8.583 1.00 0.00 C ATOM 696 C LYS A 51 -5.336 12.901 -9.254 1.00 0.00 C ATOM 697 O LYS A 51 -5.086 14.054 -8.900 1.00 0.00 O ATOM 698 CB LYS A 51 -5.861 11.206 -7.491 1.00 0.00 C ATOM 699 CG LYS A 51 -6.906 10.407 -6.732 1.00 0.00 C ATOM 700 CD LYS A 51 -6.341 9.092 -6.222 1.00 0.00 C ATOM 701 CE LYS A 51 -5.537 9.289 -4.945 1.00 0.00 C ATOM 702 NZ LYS A 51 -4.173 9.816 -5.224 1.00 0.00 N ATOM 0 H LYS A 51 -7.355 10.338 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.153 12.801 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.147 10.518 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.305 11.824 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.276 10.995 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.758 10.210 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.156 8.392 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.706 8.646 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.065 9.979 -4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.458 8.340 -4.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.511 9.464 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.863 9.497 -6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.191 10.856 -5.200 1.00 0.00 H new ATOM 716 N LYS A 52 -4.672 12.283 -10.224 1.00 0.00 N ATOM 717 CA LYS A 52 -3.587 12.936 -10.947 1.00 0.00 C ATOM 718 C LYS A 52 -4.062 14.243 -11.575 1.00 0.00 C ATOM 719 O LYS A 52 -3.556 15.318 -11.252 1.00 0.00 O ATOM 720 CB LYS A 52 -3.037 12.007 -12.031 1.00 0.00 C ATOM 721 CG LYS A 52 -2.252 12.731 -13.111 1.00 0.00 C ATOM 722 CD LYS A 52 -0.894 13.186 -12.604 1.00 0.00 C ATOM 723 CE LYS A 52 -0.971 14.560 -11.957 1.00 0.00 C ATOM 724 NZ LYS A 52 0.380 15.144 -11.730 1.00 0.00 N ATOM 0 H LYS A 52 -4.866 11.329 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.793 13.162 -10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.394 11.260 -11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.866 11.471 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.119 12.072 -13.969 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.820 13.594 -13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.514 12.464 -11.882 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.186 13.212 -13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.553 15.228 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.498 14.484 -11.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.284 16.080 -11.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.927 14.520 -11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.874 15.240 -12.640 1.00 0.00 H new ATOM 738 N SER A 53 -5.037 14.143 -12.472 1.00 0.00 N ATOM 739 CA SER A 53 -5.578 15.317 -13.147 1.00 0.00 C ATOM 740 C SER A 53 -6.635 16.000 -12.285 1.00 0.00 C ATOM 741 O SER A 53 -7.501 16.711 -12.794 1.00 0.00 O ATOM 742 CB SER A 53 -6.181 14.922 -14.497 1.00 0.00 C ATOM 743 OG SER A 53 -6.762 16.042 -15.143 1.00 0.00 O ATOM 0 H SER A 53 -5.469 13.261 -12.748 1.00 0.00 H new ATOM 0 HA SER A 53 -4.761 16.019 -13.313 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.407 14.492 -15.133 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.937 14.151 -14.350 1.00 0.00 H new ATOM 0 HG SER A 53 -7.215 16.603 -14.480 1.00 0.00 H new ATOM 749 N MET A 54 -6.557 15.778 -10.977 1.00 0.00 N ATOM 750 CA MET A 54 -7.506 16.373 -10.043 1.00 0.00 C ATOM 751 C MET A 54 -6.896 17.585 -9.347 1.00 0.00 C ATOM 752 O MET A 54 -7.581 18.307 -8.621 1.00 0.00 O ATOM 753 CB MET A 54 -7.946 15.340 -9.004 1.00 0.00 C ATOM 754 CG MET A 54 -9.023 15.850 -8.059 1.00 0.00 C ATOM 755 SD MET A 54 -10.163 14.553 -7.541 1.00 0.00 S ATOM 756 CE MET A 54 -10.879 14.084 -9.115 1.00 0.00 C ATOM 0 H MET A 54 -5.847 15.191 -10.540 1.00 0.00 H new ATOM 0 HA MET A 54 -8.378 16.702 -10.609 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.316 14.453 -9.519 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.079 15.031 -8.421 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.551 16.287 -7.179 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.583 16.647 -8.549 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.916 13.783 -8.968 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.841 14.932 -9.799 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.316 13.252 -9.537 1.00 0.00 H new ATOM 766 N LEU A 55 -5.604 17.803 -9.571 1.00 0.00 N ATOM 767 CA LEU A 55 -4.902 18.928 -8.964 1.00 0.00 C ATOM 768 C LEU A 55 -4.495 19.950 -10.021 1.00 0.00 C ATOM 769 O LEU A 55 -4.107 21.072 -9.696 1.00 0.00 O ATOM 770 CB LEU A 55 -3.665 18.436 -8.211 1.00 0.00 C ATOM 771 CG LEU A 55 -3.926 17.502 -7.028 1.00 0.00 C ATOM 772 CD1 LEU A 55 -3.980 16.055 -7.493 1.00 0.00 C ATOM 773 CD2 LEU A 55 -2.857 17.681 -5.961 1.00 0.00 C ATOM 0 H LEU A 55 -5.022 17.216 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.580 19.411 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.015 17.921 -8.918 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.116 19.305 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.892 17.759 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.166 15.405 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.783 15.936 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.030 15.785 -7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.059 17.009 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.879 17.451 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.866 18.712 -5.606 1.00 0.00 H new ATOM 785 N ASP A 56 -4.588 19.554 -11.285 1.00 0.00 N ATOM 786 CA ASP A 56 -4.233 20.436 -12.391 1.00 0.00 C ATOM 787 C ASP A 56 -5.483 20.963 -13.088 1.00 0.00 C ATOM 788 O ASP A 56 -5.706 22.172 -13.156 1.00 0.00 O ATOM 789 CB ASP A 56 -3.345 19.699 -13.395 1.00 0.00 C ATOM 790 CG ASP A 56 -2.445 20.640 -14.171 1.00 0.00 C ATOM 791 OD1 ASP A 56 -1.370 21.000 -13.647 1.00 0.00 O ATOM 792 OD2 ASP A 56 -2.815 21.015 -15.303 1.00 0.00 O ATOM 0 H ASP A 56 -4.906 18.628 -11.570 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.681 21.284 -11.985 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.733 18.969 -12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.973 19.144 -14.092 1.00 0.00 H new ATOM 797 N LYS A 57 -6.294 20.049 -13.608 1.00 0.00 N ATOM 798 CA LYS A 57 -7.522 20.420 -14.301 1.00 0.00 C ATOM 799 C LYS A 57 -8.732 19.739 -13.667 1.00 0.00 C ATOM 800 O LYS A 57 -9.605 19.227 -14.366 1.00 0.00 O ATOM 801 CB LYS A 57 -7.430 20.044 -15.781 1.00 0.00 C ATOM 802 CG LYS A 57 -6.210 20.618 -16.480 1.00 0.00 C ATOM 803 CD LYS A 57 -5.874 19.843 -17.743 1.00 0.00 C ATOM 804 CE LYS A 57 -4.403 19.979 -18.106 1.00 0.00 C ATOM 805 NZ LYS A 57 -4.031 19.103 -19.252 1.00 0.00 N ATOM 0 H LYS A 57 -6.123 19.044 -13.563 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.647 21.499 -14.213 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.412 18.958 -15.871 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.328 20.391 -16.292 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.392 21.663 -16.731 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.357 20.597 -15.801 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.119 18.790 -17.601 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.488 20.205 -18.567 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.185 21.017 -18.357 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.790 19.725 -17.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.021 19.225 -19.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.215 18.110 -19.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.597 19.362 -20.085 1.00 0.00 H new ATOM 819 N GLY A 58 -8.776 19.739 -12.338 1.00 0.00 N ATOM 820 CA GLY A 58 -9.883 19.120 -11.633 1.00 0.00 C ATOM 821 C GLY A 58 -10.415 17.895 -12.350 1.00 0.00 C ATOM 822 O GLY A 58 -9.869 16.801 -12.210 1.00 0.00 O ATOM 0 H GLY A 58 -8.065 20.156 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.560 18.839 -10.631 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.687 19.847 -11.516 1.00 0.00 H new ATOM 826 N GLU A 59 -11.484 18.078 -13.119 1.00 0.00 N ATOM 827 CA GLU A 59 -12.090 16.976 -13.857 1.00 0.00 C ATOM 828 C GLU A 59 -11.056 16.273 -14.731 1.00 0.00 C ATOM 829 O GLU A 59 -10.517 16.861 -15.669 1.00 0.00 O ATOM 830 CB GLU A 59 -13.243 17.488 -14.724 1.00 0.00 C ATOM 831 CG GLU A 59 -14.442 17.965 -13.922 1.00 0.00 C ATOM 832 CD GLU A 59 -14.298 19.402 -13.457 1.00 0.00 C ATOM 833 OE1 GLU A 59 -13.855 20.245 -14.264 1.00 0.00 O ATOM 834 OE2 GLU A 59 -14.629 19.681 -12.286 1.00 0.00 O ATOM 0 H GLU A 59 -11.948 18.978 -13.247 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.478 16.258 -13.135 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.883 18.308 -15.346 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.561 16.693 -15.398 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.342 17.872 -14.530 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.575 17.318 -13.055 1.00 0.00 H new ATOM 841 N SER A 60 -10.783 15.011 -14.416 1.00 0.00 N ATOM 842 CA SER A 60 -9.810 14.228 -15.169 1.00 0.00 C ATOM 843 C SER A 60 -10.247 14.070 -16.622 1.00 0.00 C ATOM 844 O SER A 60 -11.373 14.412 -16.984 1.00 0.00 O ATOM 845 CB SER A 60 -9.626 12.851 -14.528 1.00 0.00 C ATOM 846 OG SER A 60 -8.640 12.097 -15.212 1.00 0.00 O ATOM 0 H SER A 60 -11.222 14.509 -13.644 1.00 0.00 H new ATOM 0 HA SER A 60 -8.859 14.760 -15.149 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.338 12.968 -13.483 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.573 12.312 -14.539 1.00 0.00 H new ATOM 0 HG SER A 60 -8.540 11.222 -14.782 1.00 0.00 H new ATOM 852 N SER A 61 -9.347 13.550 -17.451 1.00 0.00 N ATOM 853 CA SER A 61 -9.637 13.351 -18.866 1.00 0.00 C ATOM 854 C SER A 61 -8.943 12.097 -19.391 1.00 0.00 C ATOM 855 O SER A 61 -7.787 11.830 -19.062 1.00 0.00 O ATOM 856 CB SER A 61 -9.194 14.570 -19.676 1.00 0.00 C ATOM 857 OG SER A 61 -10.172 15.595 -19.632 1.00 0.00 O ATOM 0 H SER A 61 -8.411 13.259 -17.167 1.00 0.00 H new ATOM 0 HA SER A 61 -10.714 13.223 -18.977 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.250 14.947 -19.284 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.016 14.278 -20.711 1.00 0.00 H new ATOM 0 HG SER A 61 -10.780 15.435 -18.880 1.00 0.00 H new ATOM 863 N CYS A 62 -9.658 11.332 -20.210 1.00 0.00 N ATOM 864 CA CYS A 62 -9.113 10.107 -20.781 1.00 0.00 C ATOM 865 C CYS A 62 -7.629 10.267 -21.099 1.00 0.00 C ATOM 866 O CYS A 62 -7.230 11.105 -21.908 1.00 0.00 O ATOM 867 CB CYS A 62 -9.880 9.726 -22.049 1.00 0.00 C ATOM 868 SG CYS A 62 -9.521 8.047 -22.659 1.00 0.00 S ATOM 0 H CYS A 62 -10.616 11.539 -20.493 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.224 9.312 -20.044 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -10.949 9.809 -21.853 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -9.643 10.444 -22.834 1.00 0.00 H new ATOM 0 HG CYS A 62 -10.606 7.520 -23.144 1.00 0.00 H new ATOM 873 N PRO A 63 -6.792 9.445 -20.450 1.00 0.00 N ATOM 874 CA PRO A 63 -5.340 9.475 -20.647 1.00 0.00 C ATOM 875 C PRO A 63 -4.932 8.962 -22.024 1.00 0.00 C ATOM 876 O PRO A 63 -3.744 8.855 -22.330 1.00 0.00 O ATOM 877 CB PRO A 63 -4.814 8.545 -19.552 1.00 0.00 C ATOM 878 CG PRO A 63 -5.945 7.619 -19.265 1.00 0.00 C ATOM 879 CD PRO A 63 -7.199 8.421 -19.472 1.00 0.00 C ATOM 0 HA PRO A 63 -4.942 10.488 -20.592 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.931 8.000 -19.886 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.525 9.105 -18.662 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.920 6.755 -19.929 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.889 7.239 -18.245 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.013 7.803 -19.852 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.547 8.870 -18.542 1.00 0.00 H new ATOM 887 N VAL A 64 -5.923 8.648 -22.851 1.00 0.00 N ATOM 888 CA VAL A 64 -5.667 8.147 -24.197 1.00 0.00 C ATOM 889 C VAL A 64 -6.053 9.180 -25.250 1.00 0.00 C ATOM 890 O VAL A 64 -5.242 9.551 -26.098 1.00 0.00 O ATOM 891 CB VAL A 64 -6.438 6.842 -24.466 1.00 0.00 C ATOM 892 CG1 VAL A 64 -6.245 6.395 -25.908 1.00 0.00 C ATOM 893 CG2 VAL A 64 -5.997 5.753 -23.499 1.00 0.00 C ATOM 0 H VAL A 64 -6.911 8.731 -22.613 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.597 7.948 -24.263 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.500 7.029 -24.307 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.797 5.471 -26.080 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.614 7.169 -26.581 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.185 6.225 -26.097 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.552 4.838 -23.704 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.930 5.566 -23.624 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.192 6.074 -22.476 1.00 0.00 H new ATOM 903 N CYS A 65 -7.298 9.641 -25.190 1.00 0.00 N ATOM 904 CA CYS A 65 -7.794 10.631 -26.138 1.00 0.00 C ATOM 905 C CYS A 65 -7.972 11.988 -25.463 1.00 0.00 C ATOM 906 O CYS A 65 -8.704 12.846 -25.956 1.00 0.00 O ATOM 907 CB CYS A 65 -9.122 10.170 -26.740 1.00 0.00 C ATOM 908 SG CYS A 65 -10.456 9.952 -25.519 1.00 0.00 S ATOM 0 H CYS A 65 -7.982 9.344 -24.494 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.058 10.735 -26.936 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.442 10.897 -27.486 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.964 9.226 -27.262 1.00 0.00 H new ATOM 0 HG CYS A 65 -10.059 9.142 -24.583 1.00 0.00 H new ATOM 913 N ARG A 66 -7.297 12.175 -24.334 1.00 0.00 N ATOM 914 CA ARG A 66 -7.381 13.427 -23.591 1.00 0.00 C ATOM 915 C ARG A 66 -8.746 14.081 -23.781 1.00 0.00 C ATOM 916 O ARG A 66 -8.838 15.257 -24.136 1.00 0.00 O ATOM 917 CB ARG A 66 -6.277 14.386 -24.040 1.00 0.00 C ATOM 918 CG ARG A 66 -5.750 15.273 -22.924 1.00 0.00 C ATOM 919 CD ARG A 66 -4.936 14.476 -21.916 1.00 0.00 C ATOM 920 NE ARG A 66 -3.529 14.388 -22.297 1.00 0.00 N ATOM 921 CZ ARG A 66 -2.723 15.441 -22.381 1.00 0.00 C ATOM 922 NH1 ARG A 66 -3.182 16.655 -22.112 1.00 0.00 N ATOM 923 NH2 ARG A 66 -1.454 15.280 -22.734 1.00 0.00 N ATOM 0 H ARG A 66 -6.686 11.475 -23.913 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.249 13.202 -22.533 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.451 13.808 -24.454 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.659 15.016 -24.844 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.132 16.064 -23.348 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.585 15.757 -22.418 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.017 14.943 -20.934 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.351 13.472 -21.827 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.144 13.468 -22.510 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.157 16.783 -21.840 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.561 17.461 -22.177 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.097 14.347 -22.941 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.836 16.089 -22.798 1.00 0.00 H new ATOM 937 N ILE A 67 -9.803 13.312 -23.544 1.00 0.00 N ATOM 938 CA ILE A 67 -11.163 13.817 -23.689 1.00 0.00 C ATOM 939 C ILE A 67 -11.763 14.177 -22.334 1.00 0.00 C ATOM 940 O ILE A 67 -11.311 13.694 -21.296 1.00 0.00 O ATOM 941 CB ILE A 67 -12.075 12.789 -24.384 1.00 0.00 C ATOM 942 CG1 ILE A 67 -13.379 13.451 -24.832 1.00 0.00 C ATOM 943 CG2 ILE A 67 -12.360 11.619 -23.454 1.00 0.00 C ATOM 944 CD1 ILE A 67 -14.156 12.636 -25.841 1.00 0.00 C ATOM 0 H ILE A 67 -9.744 12.337 -23.251 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.102 14.713 -24.307 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.561 12.409 -25.267 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -14.007 13.626 -23.958 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -13.152 14.426 -25.262 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -13.006 10.901 -23.960 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.423 11.134 -23.181 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.856 11.982 -22.554 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -15.068 13.167 -26.113 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -13.547 12.483 -26.732 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -14.414 11.670 -25.407 1.00 0.00 H new ATOM 956 N SER A 68 -12.784 15.028 -22.352 1.00 0.00 N ATOM 957 CA SER A 68 -13.445 15.455 -21.125 1.00 0.00 C ATOM 958 C SER A 68 -14.558 14.483 -20.741 1.00 0.00 C ATOM 959 O SER A 68 -15.296 13.997 -21.598 1.00 0.00 O ATOM 960 CB SER A 68 -14.018 16.863 -21.293 1.00 0.00 C ATOM 961 OG SER A 68 -13.072 17.847 -20.913 1.00 0.00 O ATOM 0 H SER A 68 -13.171 15.435 -23.203 1.00 0.00 H new ATOM 0 HA SER A 68 -12.703 15.465 -20.326 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.312 17.018 -22.331 1.00 0.00 H new ATOM 0 HB3 SER A 68 -14.919 16.967 -20.688 1.00 0.00 H new ATOM 0 HG SER A 68 -13.462 18.738 -21.031 1.00 0.00 H new ATOM 967 N TYR A 69 -14.671 14.206 -19.447 1.00 0.00 N ATOM 968 CA TYR A 69 -15.691 13.291 -18.948 1.00 0.00 C ATOM 969 C TYR A 69 -15.678 13.239 -17.423 1.00 0.00 C ATOM 970 O TYR A 69 -14.617 13.253 -16.801 1.00 0.00 O ATOM 971 CB TYR A 69 -15.472 11.889 -19.519 1.00 0.00 C ATOM 972 CG TYR A 69 -14.354 11.128 -18.842 1.00 0.00 C ATOM 973 CD1 TYR A 69 -13.035 11.551 -18.946 1.00 0.00 C ATOM 974 CD2 TYR A 69 -14.618 9.985 -18.096 1.00 0.00 C ATOM 975 CE1 TYR A 69 -12.012 10.858 -18.330 1.00 0.00 C ATOM 976 CE2 TYR A 69 -13.601 9.287 -17.475 1.00 0.00 C ATOM 977 CZ TYR A 69 -12.300 9.727 -17.595 1.00 0.00 C ATOM 978 OH TYR A 69 -11.283 9.034 -16.978 1.00 0.00 O ATOM 0 H TYR A 69 -14.069 14.602 -18.725 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.664 13.660 -19.272 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -16.397 11.319 -19.426 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -15.253 11.969 -20.584 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -12.806 12.437 -19.519 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -15.636 9.637 -18.000 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.992 11.200 -18.423 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -13.824 8.401 -16.898 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.655 8.263 -16.500 1.00 0.00 H new ATOM 988 N GLN A 70 -16.866 13.179 -16.830 1.00 0.00 N ATOM 989 CA GLN A 70 -16.991 13.126 -15.378 1.00 0.00 C ATOM 990 C GLN A 70 -16.937 11.685 -14.880 1.00 0.00 C ATOM 991 O GLN A 70 -17.711 10.827 -15.304 1.00 0.00 O ATOM 992 CB GLN A 70 -18.299 13.783 -14.934 1.00 0.00 C ATOM 993 CG GLN A 70 -18.371 15.269 -15.247 1.00 0.00 C ATOM 994 CD GLN A 70 -19.408 15.992 -14.411 1.00 0.00 C ATOM 995 OE1 GLN A 70 -19.821 15.508 -13.357 1.00 0.00 O ATOM 996 NE2 GLN A 70 -19.837 17.159 -14.878 1.00 0.00 N ATOM 0 H GLN A 70 -17.754 13.166 -17.331 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.153 13.673 -14.945 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -19.133 13.277 -15.420 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -18.421 13.640 -13.860 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.394 15.720 -15.076 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.604 15.403 -16.303 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -19.468 17.524 -15.756 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -20.535 17.691 -14.358 1.00 0.00 H new ATOM 1005 N PRO A 71 -16.002 11.412 -13.958 1.00 0.00 N ATOM 1006 CA PRO A 71 -15.824 10.076 -13.382 1.00 0.00 C ATOM 1007 C PRO A 71 -16.980 9.680 -12.469 1.00 0.00 C ATOM 1008 O PRO A 71 -16.981 8.594 -11.891 1.00 0.00 O ATOM 1009 CB PRO A 71 -14.528 10.205 -12.579 1.00 0.00 C ATOM 1010 CG PRO A 71 -14.430 11.654 -12.247 1.00 0.00 C ATOM 1011 CD PRO A 71 -15.045 12.387 -13.408 1.00 0.00 C ATOM 0 HA PRO A 71 -15.790 9.303 -14.149 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.559 9.594 -11.677 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.668 9.873 -13.160 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.958 11.879 -11.320 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.391 11.952 -12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.543 13.302 -13.087 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.295 12.674 -14.145 1.00 0.00 H new ATOM 1019 N GLU A 72 -17.960 10.569 -12.344 1.00 0.00 N ATOM 1020 CA GLU A 72 -19.121 10.311 -11.500 1.00 0.00 C ATOM 1021 C GLU A 72 -20.095 9.360 -12.189 1.00 0.00 C ATOM 1022 O GLU A 72 -20.316 8.241 -11.728 1.00 0.00 O ATOM 1023 CB GLU A 72 -19.830 11.623 -11.155 1.00 0.00 C ATOM 1024 CG GLU A 72 -21.084 11.435 -10.318 1.00 0.00 C ATOM 1025 CD GLU A 72 -20.906 10.402 -9.223 1.00 0.00 C ATOM 1026 OE1 GLU A 72 -19.815 10.362 -8.617 1.00 0.00 O ATOM 1027 OE2 GLU A 72 -21.858 9.634 -8.972 1.00 0.00 O ATOM 0 H GLU A 72 -17.973 11.473 -12.816 1.00 0.00 H new ATOM 0 HA GLU A 72 -18.772 9.842 -10.580 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.137 12.270 -10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.094 12.138 -12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -21.364 12.389 -9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.907 11.134 -10.966 1.00 0.00 H new ATOM 1034 N ASN A 73 -20.674 9.815 -13.295 1.00 0.00 N ATOM 1035 CA ASN A 73 -21.625 9.005 -14.048 1.00 0.00 C ATOM 1036 C ASN A 73 -20.902 8.096 -15.038 1.00 0.00 C ATOM 1037 O ASN A 73 -20.661 8.477 -16.183 1.00 0.00 O ATOM 1038 CB ASN A 73 -22.614 9.904 -14.793 1.00 0.00 C ATOM 1039 CG ASN A 73 -23.655 10.508 -13.870 1.00 0.00 C ATOM 1040 OD1 ASN A 73 -24.417 9.790 -13.222 1.00 0.00 O ATOM 1041 ND2 ASN A 73 -23.691 11.834 -13.807 1.00 0.00 N ATOM 0 H ASN A 73 -20.502 10.740 -13.690 1.00 0.00 H new ATOM 0 HA ASN A 73 -22.172 8.381 -13.341 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -22.068 10.704 -15.293 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -23.113 9.325 -15.570 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -24.370 12.298 -13.203 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.040 12.389 -14.362 1.00 0.00 H new ATOM 1048 N ILE A 74 -20.560 6.894 -14.587 1.00 0.00 N ATOM 1049 CA ILE A 74 -19.867 5.930 -15.433 1.00 0.00 C ATOM 1050 C ILE A 74 -20.189 4.500 -15.014 1.00 0.00 C ATOM 1051 O ILE A 74 -20.379 4.216 -13.831 1.00 0.00 O ATOM 1052 CB ILE A 74 -18.341 6.136 -15.386 1.00 0.00 C ATOM 1053 CG1 ILE A 74 -17.966 7.478 -16.018 1.00 0.00 C ATOM 1054 CG2 ILE A 74 -17.631 4.993 -16.097 1.00 0.00 C ATOM 1055 CD1 ILE A 74 -16.477 7.741 -16.039 1.00 0.00 C ATOM 0 H ILE A 74 -20.751 6.564 -13.641 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.217 6.095 -16.452 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.022 6.145 -14.344 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -18.347 7.508 -17.039 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.461 8.280 -15.469 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -16.553 5.152 -16.056 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.878 4.051 -15.607 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -17.953 4.956 -17.138 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.285 8.709 -16.501 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.093 7.743 -15.019 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.978 6.960 -16.613 1.00 0.00 H new ATOM 1067 N ARG A 75 -20.246 3.602 -15.992 1.00 0.00 N ATOM 1068 CA ARG A 75 -20.544 2.200 -15.725 1.00 0.00 C ATOM 1069 C ARG A 75 -19.814 1.291 -16.710 1.00 0.00 C ATOM 1070 O ARG A 75 -19.617 1.632 -17.877 1.00 0.00 O ATOM 1071 CB ARG A 75 -22.052 1.952 -15.808 1.00 0.00 C ATOM 1072 CG ARG A 75 -22.606 2.032 -17.221 1.00 0.00 C ATOM 1073 CD ARG A 75 -24.067 2.452 -17.224 1.00 0.00 C ATOM 1074 NE ARG A 75 -24.731 2.116 -18.480 1.00 0.00 N ATOM 1075 CZ ARG A 75 -24.699 2.891 -19.559 1.00 0.00 C ATOM 1076 NH1 ARG A 75 -24.039 4.041 -19.533 1.00 0.00 N ATOM 1077 NH2 ARG A 75 -25.328 2.516 -20.665 1.00 0.00 N ATOM 0 H ARG A 75 -20.090 3.820 -16.976 1.00 0.00 H new ATOM 0 HA ARG A 75 -20.199 1.967 -14.718 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -22.273 0.968 -15.396 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.567 2.682 -15.183 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.021 2.744 -17.803 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.504 1.062 -17.708 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.586 1.965 -16.398 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.136 3.526 -17.054 1.00 0.00 H new ATOM 0 HE ARG A 75 -25.248 1.238 -18.532 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -23.555 4.332 -18.684 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -24.016 4.634 -20.362 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -25.837 1.632 -20.688 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -25.303 3.111 -21.493 1.00 0.00 H new