USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 596 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 49 GLN : amide:sc= -3.07! C(o=-4.6!,f=-6.8!) USER MOD Set 1.2: A 58 MET CE :methyl -124:sc= -1.57 (180deg=-1.86) USER MOD Set 1.3: A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.966 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -163:sc= -2.56 (180deg=-5.12!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc=-0.00784 X(o=-0.0078,f=-0.0078) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0636) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0024 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0688) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 30:sc= 0.314 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.24) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 80 THR OG1 : rot 109:sc= 0.522 USER MOD Single : A 81 LYS NZ :NH3+ 151:sc= -0.0506 (180deg=-0.66) USER MOD Single : A 82 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0464) USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.0408 (180deg=-0.269) USER MOD Single : A 84 TYR OH : rot 21:sc= 1.08 USER MOD Single : A 87 GLN : amide:sc=-0.00248 X(o=-0.0025,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 199 N LYS A 16 7.119 4.363 2.635 1.00 0.00 N ATOM 200 CA LYS A 16 6.026 3.923 3.494 1.00 0.00 C ATOM 201 C LYS A 16 6.540 3.011 4.604 1.00 0.00 C ATOM 202 O LYS A 16 7.563 2.344 4.448 1.00 0.00 O ATOM 203 CB LYS A 16 4.964 3.192 2.670 1.00 0.00 C ATOM 204 CG LYS A 16 3.742 2.786 3.475 1.00 0.00 C ATOM 205 CD LYS A 16 2.510 2.663 2.595 1.00 0.00 C ATOM 206 CE LYS A 16 1.774 3.989 2.478 1.00 0.00 C ATOM 207 NZ LYS A 16 0.359 3.802 2.053 1.00 0.00 N ATOM 0 HA LYS A 16 5.578 4.806 3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.650 3.834 1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.409 2.301 2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.932 1.834 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.559 3.523 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.803 2.320 1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.840 1.909 3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.800 4.505 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.288 4.627 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.108 4.729 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.334 3.333 1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.139 3.214 2.752 1.00 0.00 H new ATOM 221 N ASP A 17 5.823 2.985 5.722 1.00 0.00 N ATOM 222 CA ASP A 17 6.206 2.153 6.856 1.00 0.00 C ATOM 223 C ASP A 17 5.754 0.711 6.649 1.00 0.00 C ATOM 224 O ASP A 17 4.656 0.330 7.055 1.00 0.00 O ATOM 225 CB ASP A 17 5.605 2.708 8.149 1.00 0.00 C ATOM 226 CG ASP A 17 6.342 2.225 9.383 1.00 0.00 C ATOM 227 OD1 ASP A 17 6.961 1.143 9.319 1.00 0.00 O ATOM 228 OD2 ASP A 17 6.297 2.928 10.414 1.00 0.00 O ATOM 0 H ASP A 17 4.973 3.531 5.867 1.00 0.00 H new ATOM 0 HA ASP A 17 7.293 2.167 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.628 3.797 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.558 2.413 8.216 1.00 0.00 H new ATOM 233 N TRP A 18 6.606 -0.085 6.014 1.00 0.00 N ATOM 234 CA TRP A 18 6.293 -1.486 5.751 1.00 0.00 C ATOM 235 C TRP A 18 6.376 -2.311 7.030 1.00 0.00 C ATOM 236 O TRP A 18 5.519 -3.156 7.292 1.00 0.00 O ATOM 237 CB TRP A 18 7.248 -2.054 4.700 1.00 0.00 C ATOM 238 CG TRP A 18 7.407 -1.169 3.501 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.562 -0.591 3.058 1.00 0.00 C ATOM 240 CD2 TRP A 18 6.377 -0.759 2.595 1.00 0.00 C ATOM 241 NE1 TRP A 18 8.312 0.154 1.930 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.980 0.066 1.625 1.00 0.00 C ATOM 243 CE3 TRP A 18 5.006 -1.011 2.507 1.00 0.00 C ATOM 244 CZ2 TRP A 18 6.256 0.640 0.583 1.00 0.00 C ATOM 245 CZ3 TRP A 18 4.289 -0.440 1.473 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.915 0.377 0.522 1.00 0.00 C ATOM 0 H TRP A 18 7.519 0.215 5.671 1.00 0.00 H new ATOM 0 HA TRP A 18 5.273 -1.540 5.372 1.00 0.00 H new ATOM 0 HB2 TRP A 18 8.225 -2.214 5.156 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.883 -3.029 4.377 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.529 -0.703 3.525 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.006 0.686 1.405 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.515 -1.641 3.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.736 1.270 -0.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.228 -0.627 1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.327 0.808 -0.275 1.00 0.00 H new ATOM 257 N TYR A 19 7.411 -2.062 7.824 1.00 0.00 N ATOM 258 CA TYR A 19 7.606 -2.784 9.076 1.00 0.00 C ATOM 259 C TYR A 19 6.385 -2.646 9.980 1.00 0.00 C ATOM 260 O TYR A 19 6.237 -3.378 10.959 1.00 0.00 O ATOM 261 CB TYR A 19 8.851 -2.268 9.798 1.00 0.00 C ATOM 262 CG TYR A 19 10.148 -2.691 9.147 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.381 -4.019 8.815 1.00 0.00 C ATOM 264 CD2 TYR A 19 11.141 -1.761 8.863 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.565 -4.410 8.220 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.328 -2.143 8.267 1.00 0.00 C ATOM 267 CZ TYR A 19 12.535 -3.468 7.948 1.00 0.00 C ATOM 268 OH TYR A 19 13.715 -3.853 7.355 1.00 0.00 O ATOM 0 H TYR A 19 8.128 -1.365 7.623 1.00 0.00 H new ATOM 0 HA TYR A 19 7.743 -3.839 8.840 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.812 -1.179 9.838 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.838 -2.625 10.828 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.623 -4.759 9.026 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.982 -0.722 9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.730 -5.447 7.969 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.089 -1.407 8.052 1.00 0.00 H new ATOM 0 HH TYR A 19 14.290 -3.069 7.231 1.00 0.00 H new ATOM 278 N SER A 20 5.512 -1.701 9.645 1.00 0.00 N ATOM 279 CA SER A 20 4.305 -1.463 10.428 1.00 0.00 C ATOM 280 C SER A 20 3.103 -2.159 9.797 1.00 0.00 C ATOM 281 O SER A 20 2.260 -2.721 10.496 1.00 0.00 O ATOM 282 CB SER A 20 4.036 0.038 10.546 1.00 0.00 C ATOM 283 OG SER A 20 3.298 0.333 11.719 1.00 0.00 O ATOM 0 H SER A 20 5.618 -1.088 8.837 1.00 0.00 H new ATOM 0 HA SER A 20 4.460 -1.876 11.425 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.982 0.580 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.486 0.382 9.670 1.00 0.00 H new ATOM 0 HG SER A 20 3.141 1.299 11.772 1.00 0.00 H new ATOM 289 N ILE A 21 3.031 -2.115 8.471 1.00 0.00 N ATOM 290 CA ILE A 21 1.933 -2.741 7.744 1.00 0.00 C ATOM 291 C ILE A 21 1.953 -4.256 7.917 1.00 0.00 C ATOM 292 O ILE A 21 0.904 -4.899 7.985 1.00 0.00 O ATOM 293 CB ILE A 21 1.987 -2.406 6.242 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.968 -0.890 6.035 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.825 -3.060 5.511 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.503 -0.458 4.688 1.00 0.00 C ATOM 0 H ILE A 21 3.720 -1.652 7.878 1.00 0.00 H new ATOM 0 HA ILE A 21 1.009 -2.341 8.163 1.00 0.00 H new ATOM 0 HB ILE A 21 2.917 -2.799 5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.945 -0.529 6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.558 -0.417 6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.877 -2.814 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.879 -4.142 5.635 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.116 -2.694 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.460 0.628 4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.537 -0.788 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.899 -0.902 3.897 1.00 0.00 H new ATOM 308 N LEU A 22 3.153 -4.821 7.989 1.00 0.00 N ATOM 309 CA LEU A 22 3.311 -6.262 8.155 1.00 0.00 C ATOM 310 C LEU A 22 3.503 -6.622 9.625 1.00 0.00 C ATOM 311 O LEU A 22 3.986 -7.706 9.952 1.00 0.00 O ATOM 312 CB LEU A 22 4.503 -6.762 7.337 1.00 0.00 C ATOM 313 CG LEU A 22 4.478 -6.431 5.844 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.842 -6.677 5.220 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.409 -7.250 5.134 1.00 0.00 C ATOM 0 H LEU A 22 4.031 -4.304 7.935 1.00 0.00 H new ATOM 0 HA LEU A 22 2.403 -6.746 7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.414 -6.344 7.766 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.566 -7.845 7.448 1.00 0.00 H new ATOM 0 HG LEU A 22 4.234 -5.375 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.805 -6.436 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.585 -6.047 5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.116 -7.725 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.405 -7.002 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.622 -8.312 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.433 -7.024 5.563 1.00 0.00 H new ATOM 327 N GLY A 23 3.119 -5.706 10.509 1.00 0.00 N ATOM 328 CA GLY A 23 3.254 -5.947 11.934 1.00 0.00 C ATOM 329 C GLY A 23 4.566 -6.619 12.286 1.00 0.00 C ATOM 330 O GLY A 23 4.604 -7.523 13.119 1.00 0.00 O ATOM 0 H GLY A 23 2.717 -4.801 10.264 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.180 -5.000 12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.427 -6.571 12.274 1.00 0.00 H new ATOM 334 N ALA A 24 5.645 -6.177 11.648 1.00 0.00 N ATOM 335 CA ALA A 24 6.966 -6.742 11.899 1.00 0.00 C ATOM 336 C ALA A 24 7.910 -5.693 12.477 1.00 0.00 C ATOM 337 O ALA A 24 7.521 -4.546 12.695 1.00 0.00 O ATOM 338 CB ALA A 24 7.542 -7.325 10.618 1.00 0.00 C ATOM 0 H ALA A 24 5.631 -5.430 10.954 1.00 0.00 H new ATOM 0 HA ALA A 24 6.860 -7.541 12.633 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.528 -7.743 10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.884 -8.111 10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.628 -6.540 9.867 1.00 0.00 H new ATOM 344 N ASP A 25 9.152 -6.095 12.725 1.00 0.00 N ATOM 345 CA ASP A 25 10.153 -5.189 13.278 1.00 0.00 C ATOM 346 C ASP A 25 11.162 -4.778 12.211 1.00 0.00 C ATOM 347 O ASP A 25 11.409 -5.499 11.244 1.00 0.00 O ATOM 348 CB ASP A 25 10.875 -5.850 14.453 1.00 0.00 C ATOM 349 CG ASP A 25 10.009 -5.928 15.695 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.331 -4.927 16.010 1.00 0.00 O ATOM 351 OD2 ASP A 25 10.008 -6.990 16.351 1.00 0.00 O ATOM 0 H ASP A 25 9.490 -7.042 12.552 1.00 0.00 H new ATOM 0 HA ASP A 25 9.642 -4.294 13.633 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.185 -6.855 14.166 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.782 -5.289 14.680 1.00 0.00 H new ATOM 356 N PRO A 26 11.760 -3.591 12.388 1.00 0.00 N ATOM 357 CA PRO A 26 12.751 -3.056 11.450 1.00 0.00 C ATOM 358 C PRO A 26 14.063 -3.832 11.488 1.00 0.00 C ATOM 359 O PRO A 26 14.840 -3.805 10.534 1.00 0.00 O ATOM 360 CB PRO A 26 12.965 -1.621 11.939 1.00 0.00 C ATOM 361 CG PRO A 26 12.610 -1.657 13.385 1.00 0.00 C ATOM 362 CD PRO A 26 11.514 -2.678 13.517 1.00 0.00 C ATOM 0 HA PRO A 26 12.411 -3.122 10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.997 -1.303 11.793 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.334 -0.919 11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.473 -1.930 13.992 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.275 -0.678 13.729 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.563 -3.199 14.473 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.527 -2.219 13.455 1.00 0.00 H new ATOM 370 N SER A 27 14.304 -4.524 12.598 1.00 0.00 N ATOM 371 CA SER A 27 15.524 -5.305 12.762 1.00 0.00 C ATOM 372 C SER A 27 15.255 -6.788 12.525 1.00 0.00 C ATOM 373 O SER A 27 16.036 -7.646 12.938 1.00 0.00 O ATOM 374 CB SER A 27 16.104 -5.097 14.162 1.00 0.00 C ATOM 375 OG SER A 27 15.265 -5.668 15.151 1.00 0.00 O ATOM 0 H SER A 27 13.670 -4.559 13.396 1.00 0.00 H new ATOM 0 HA SER A 27 16.248 -4.962 12.023 1.00 0.00 H new ATOM 0 HB2 SER A 27 17.096 -5.546 14.219 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.225 -4.031 14.354 1.00 0.00 H new ATOM 0 HG SER A 27 15.658 -5.523 16.037 1.00 0.00 H new ATOM 381 N ALA A 28 14.144 -7.083 11.858 1.00 0.00 N ATOM 382 CA ALA A 28 13.772 -8.461 11.565 1.00 0.00 C ATOM 383 C ALA A 28 14.572 -9.007 10.386 1.00 0.00 C ATOM 384 O ALA A 28 15.360 -8.288 9.773 1.00 0.00 O ATOM 385 CB ALA A 28 12.280 -8.556 11.282 1.00 0.00 C ATOM 0 H ALA A 28 13.486 -6.386 11.510 1.00 0.00 H new ATOM 0 HA ALA A 28 14.004 -9.068 12.440 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.016 -9.591 11.065 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.722 -8.215 12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.032 -7.931 10.424 1.00 0.00 H new ATOM 391 N ASN A 29 14.363 -10.282 10.076 1.00 0.00 N ATOM 392 CA ASN A 29 15.066 -10.924 8.971 1.00 0.00 C ATOM 393 C ASN A 29 14.099 -11.290 7.849 1.00 0.00 C ATOM 394 O ASN A 29 12.893 -11.072 7.961 1.00 0.00 O ATOM 395 CB ASN A 29 15.793 -12.178 9.461 1.00 0.00 C ATOM 396 CG ASN A 29 17.070 -11.851 10.210 1.00 0.00 C ATOM 397 OD1 ASN A 29 18.122 -11.647 9.605 1.00 0.00 O ATOM 398 ND2 ASN A 29 16.983 -11.799 11.535 1.00 0.00 N ATOM 0 H ASN A 29 13.713 -10.891 10.574 1.00 0.00 H new ATOM 0 HA ASN A 29 15.798 -10.217 8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.130 -12.748 10.111 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.028 -12.815 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.810 -11.583 12.092 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.090 -11.975 11.995 1.00 0.00 H new ATOM 405 N MET A 30 14.637 -11.846 6.769 1.00 0.00 N ATOM 406 CA MET A 30 13.820 -12.244 5.628 1.00 0.00 C ATOM 407 C MET A 30 12.764 -13.263 6.043 1.00 0.00 C ATOM 408 O MET A 30 11.593 -13.139 5.685 1.00 0.00 O ATOM 409 CB MET A 30 14.702 -12.827 4.522 1.00 0.00 C ATOM 410 CG MET A 30 14.150 -12.602 3.123 1.00 0.00 C ATOM 411 SD MET A 30 14.731 -11.062 2.387 1.00 0.00 S ATOM 412 CE MET A 30 13.453 -9.927 2.925 1.00 0.00 C ATOM 0 H MET A 30 15.634 -12.031 6.659 1.00 0.00 H new ATOM 0 HA MET A 30 13.313 -11.357 5.249 1.00 0.00 H new ATOM 0 HB2 MET A 30 15.695 -12.382 4.588 1.00 0.00 H new ATOM 0 HB3 MET A 30 14.820 -13.898 4.689 1.00 0.00 H new ATOM 0 HG2 MET A 30 14.438 -13.437 2.484 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.061 -12.593 3.163 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.493 -9.021 2.320 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.477 -10.397 2.810 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.611 -9.671 3.973 1.00 0.00 H new ATOM 422 N SER A 31 13.186 -14.271 6.800 1.00 0.00 N ATOM 423 CA SER A 31 12.277 -15.314 7.261 1.00 0.00 C ATOM 424 C SER A 31 11.179 -14.727 8.142 1.00 0.00 C ATOM 425 O SER A 31 9.992 -14.844 7.835 1.00 0.00 O ATOM 426 CB SER A 31 13.048 -16.387 8.033 1.00 0.00 C ATOM 427 OG SER A 31 12.255 -17.546 8.224 1.00 0.00 O ATOM 0 H SER A 31 14.152 -14.387 7.107 1.00 0.00 H new ATOM 0 HA SER A 31 11.812 -15.769 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.956 -16.649 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.358 -15.991 9.000 1.00 0.00 H new ATOM 0 HG SER A 31 12.770 -18.217 8.718 1.00 0.00 H new ATOM 433 N ASP A 32 11.583 -14.095 9.238 1.00 0.00 N ATOM 434 CA ASP A 32 10.635 -13.489 10.165 1.00 0.00 C ATOM 435 C ASP A 32 9.605 -12.649 9.416 1.00 0.00 C ATOM 436 O ASP A 32 8.407 -12.932 9.459 1.00 0.00 O ATOM 437 CB ASP A 32 11.371 -12.622 11.188 1.00 0.00 C ATOM 438 CG ASP A 32 11.786 -13.405 12.418 1.00 0.00 C ATOM 439 OD1 ASP A 32 11.046 -14.332 12.808 1.00 0.00 O ATOM 440 OD2 ASP A 32 12.850 -13.090 12.991 1.00 0.00 O ATOM 0 H ASP A 32 12.561 -13.989 9.506 1.00 0.00 H new ATOM 0 HA ASP A 32 10.114 -14.291 10.688 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.255 -12.187 10.722 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.729 -11.794 11.488 1.00 0.00 H new ATOM 445 N LEU A 33 10.079 -11.614 8.730 1.00 0.00 N ATOM 446 CA LEU A 33 9.199 -10.732 7.971 1.00 0.00 C ATOM 447 C LEU A 33 8.209 -11.536 7.135 1.00 0.00 C ATOM 448 O LEU A 33 7.004 -11.289 7.171 1.00 0.00 O ATOM 449 CB LEU A 33 10.022 -9.814 7.066 1.00 0.00 C ATOM 450 CG LEU A 33 10.855 -8.744 7.772 1.00 0.00 C ATOM 451 CD1 LEU A 33 11.888 -8.158 6.823 1.00 0.00 C ATOM 452 CD2 LEU A 33 9.956 -7.649 8.328 1.00 0.00 C ATOM 0 H LEU A 33 11.067 -11.365 8.684 1.00 0.00 H new ATOM 0 HA LEU A 33 8.636 -10.124 8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.692 -10.432 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.343 -9.318 6.372 1.00 0.00 H new ATOM 0 HG LEU A 33 11.381 -9.212 8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.471 -7.398 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.552 -8.949 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.383 -7.706 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.566 -6.896 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.401 -7.185 7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.256 -8.081 9.043 1.00 0.00 H new ATOM 464 N LYS A 34 8.726 -12.502 6.383 1.00 0.00 N ATOM 465 CA LYS A 34 7.889 -13.347 5.540 1.00 0.00 C ATOM 466 C LYS A 34 6.725 -13.928 6.336 1.00 0.00 C ATOM 467 O LYS A 34 5.563 -13.742 5.977 1.00 0.00 O ATOM 468 CB LYS A 34 8.720 -14.479 4.932 1.00 0.00 C ATOM 469 CG LYS A 34 8.007 -15.227 3.819 1.00 0.00 C ATOM 470 CD LYS A 34 8.953 -16.154 3.075 1.00 0.00 C ATOM 471 CE LYS A 34 8.203 -17.292 2.400 1.00 0.00 C ATOM 472 NZ LYS A 34 9.051 -18.507 2.255 1.00 0.00 N ATOM 0 H LYS A 34 9.722 -12.719 6.340 1.00 0.00 H new ATOM 0 HA LYS A 34 7.485 -12.729 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.651 -14.066 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.988 -15.184 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.184 -15.806 4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.572 -14.513 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.506 -15.587 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.686 -16.562 3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.315 -17.537 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.861 -16.969 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.503 -19.259 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.886 -18.281 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.357 -18.831 3.195 1.00 0.00 H new ATOM 486 N GLN A 35 7.047 -14.630 7.418 1.00 0.00 N ATOM 487 CA GLN A 35 6.026 -15.236 8.265 1.00 0.00 C ATOM 488 C GLN A 35 4.867 -14.273 8.496 1.00 0.00 C ATOM 489 O GLN A 35 3.702 -14.636 8.334 1.00 0.00 O ATOM 490 CB GLN A 35 6.631 -15.657 9.606 1.00 0.00 C ATOM 491 CG GLN A 35 7.801 -16.618 9.472 1.00 0.00 C ATOM 492 CD GLN A 35 7.380 -17.982 8.961 1.00 0.00 C ATOM 493 OE1 GLN A 35 7.465 -18.263 7.765 1.00 0.00 O ATOM 494 NE2 GLN A 35 6.923 -18.838 9.867 1.00 0.00 N ATOM 0 H GLN A 35 8.005 -14.793 7.728 1.00 0.00 H new ATOM 0 HA GLN A 35 5.643 -16.119 7.754 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.962 -14.767 10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.856 -16.124 10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.540 -16.192 8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.286 -16.731 10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.870 -18.563 10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.625 -19.771 9.582 1.00 0.00 H new ATOM 503 N LYS A 36 5.194 -13.042 8.876 1.00 0.00 N ATOM 504 CA LYS A 36 4.180 -12.025 9.128 1.00 0.00 C ATOM 505 C LYS A 36 3.456 -11.647 7.841 1.00 0.00 C ATOM 506 O LYS A 36 2.257 -11.365 7.851 1.00 0.00 O ATOM 507 CB LYS A 36 4.821 -10.781 9.750 1.00 0.00 C ATOM 508 CG LYS A 36 4.993 -10.874 11.256 1.00 0.00 C ATOM 509 CD LYS A 36 6.340 -11.471 11.628 1.00 0.00 C ATOM 510 CE LYS A 36 7.398 -10.393 11.803 1.00 0.00 C ATOM 511 NZ LYS A 36 8.434 -10.788 12.797 1.00 0.00 N ATOM 0 H LYS A 36 6.153 -12.725 9.016 1.00 0.00 H new ATOM 0 HA LYS A 36 3.451 -12.439 9.825 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.796 -10.617 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.208 -9.911 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.900 -9.881 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.195 -11.485 11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.244 -12.041 12.552 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.656 -12.170 10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.874 -10.192 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.922 -9.466 12.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.198 -10.082 12.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.005 -10.840 13.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.823 -11.718 12.542 1.00 0.00 H new ATOM 525 N TYR A 37 4.190 -11.644 6.733 1.00 0.00 N ATOM 526 CA TYR A 37 3.617 -11.299 5.438 1.00 0.00 C ATOM 527 C TYR A 37 2.616 -12.358 4.986 1.00 0.00 C ATOM 528 O TYR A 37 1.439 -12.065 4.776 1.00 0.00 O ATOM 529 CB TYR A 37 4.723 -11.147 4.392 1.00 0.00 C ATOM 530 CG TYR A 37 4.211 -11.116 2.969 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.696 -9.947 2.422 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.241 -12.254 2.174 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.226 -9.913 1.123 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.775 -12.229 0.873 1.00 0.00 C ATOM 535 CZ TYR A 37 3.268 -11.057 0.353 1.00 0.00 C ATOM 536 OH TYR A 37 2.802 -11.028 -0.942 1.00 0.00 O ATOM 0 H TYR A 37 5.183 -11.877 6.706 1.00 0.00 H new ATOM 0 HA TYR A 37 3.092 -10.350 5.542 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.275 -10.229 4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.427 -11.972 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.663 -9.050 3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.635 -13.174 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.828 -8.996 0.713 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.808 -13.122 0.267 1.00 0.00 H new ATOM 0 HH TYR A 37 2.904 -11.915 -1.346 1.00 0.00 H new ATOM 546 N GLN A 38 3.093 -13.590 4.839 1.00 0.00 N ATOM 547 CA GLN A 38 2.241 -14.693 4.412 1.00 0.00 C ATOM 548 C GLN A 38 0.975 -14.762 5.260 1.00 0.00 C ATOM 549 O GLN A 38 -0.116 -15.010 4.747 1.00 0.00 O ATOM 550 CB GLN A 38 3.002 -16.017 4.501 1.00 0.00 C ATOM 551 CG GLN A 38 4.125 -16.143 3.484 1.00 0.00 C ATOM 552 CD GLN A 38 4.375 -17.578 3.065 1.00 0.00 C ATOM 553 OE1 GLN A 38 4.075 -17.969 1.937 1.00 0.00 O ATOM 554 NE2 GLN A 38 4.928 -18.372 3.975 1.00 0.00 N ATOM 0 H GLN A 38 4.065 -13.849 5.009 1.00 0.00 H new ATOM 0 HA GLN A 38 1.953 -14.517 3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.417 -16.121 5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.301 -16.840 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.881 -15.549 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.040 -15.727 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.160 -18.005 4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.120 -19.348 3.751 1.00 0.00 H new ATOM 563 N LYS A 39 1.128 -14.542 6.561 1.00 0.00 N ATOM 564 CA LYS A 39 -0.002 -14.579 7.482 1.00 0.00 C ATOM 565 C LYS A 39 -0.926 -13.386 7.257 1.00 0.00 C ATOM 566 O LYS A 39 -2.092 -13.407 7.653 1.00 0.00 O ATOM 567 CB LYS A 39 0.493 -14.589 8.930 1.00 0.00 C ATOM 568 CG LYS A 39 -0.456 -13.910 9.902 1.00 0.00 C ATOM 569 CD LYS A 39 -1.694 -14.753 10.154 1.00 0.00 C ATOM 570 CE LYS A 39 -2.656 -14.061 11.108 1.00 0.00 C ATOM 571 NZ LYS A 39 -2.096 -13.960 12.484 1.00 0.00 N ATOM 0 H LYS A 39 2.024 -14.336 7.002 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.564 -15.493 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.646 -15.621 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.463 -14.094 8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.058 -13.726 10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.751 -12.939 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.198 -14.952 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.400 -15.718 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.883 -13.063 10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.596 -14.611 11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.834 -13.624 13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.762 -14.895 12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.300 -13.290 12.487 1.00 0.00 H new ATOM 585 N LEU A 40 -0.398 -12.347 6.619 1.00 0.00 N ATOM 586 CA LEU A 40 -1.175 -11.145 6.341 1.00 0.00 C ATOM 587 C LEU A 40 -1.577 -11.084 4.870 1.00 0.00 C ATOM 588 O LEU A 40 -2.096 -10.072 4.399 1.00 0.00 O ATOM 589 CB LEU A 40 -0.373 -9.897 6.713 1.00 0.00 C ATOM 590 CG LEU A 40 -0.093 -9.699 8.204 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.920 -8.584 8.413 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.382 -9.399 8.954 1.00 0.00 C ATOM 0 H LEU A 40 0.565 -12.313 6.285 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.081 -11.181 6.946 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.581 -9.932 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.909 -9.022 6.345 1.00 0.00 H new ATOM 0 HG LEU A 40 0.327 -10.623 8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.107 -8.457 9.479 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.852 -8.840 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.528 -7.654 8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.163 -9.261 10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.832 -8.490 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.076 -10.231 8.832 1.00 0.00 H new ATOM 604 N ILE A 41 -1.335 -12.176 4.151 1.00 0.00 N ATOM 605 CA ILE A 41 -1.675 -12.248 2.736 1.00 0.00 C ATOM 606 C ILE A 41 -2.952 -13.051 2.517 1.00 0.00 C ATOM 607 O ILE A 41 -3.609 -12.925 1.482 1.00 0.00 O ATOM 608 CB ILE A 41 -0.536 -12.882 1.915 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.609 -11.883 1.736 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.055 -13.350 0.564 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.282 -10.752 0.787 1.00 0.00 C ATOM 0 H ILE A 41 -0.905 -13.022 4.526 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.830 -11.224 2.397 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.156 -13.749 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.872 -11.466 2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.488 -12.412 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.239 -13.796 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.841 -14.091 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.458 -12.499 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.139 -10.083 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.048 -11.159 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.577 -10.198 1.164 1.00 0.00 H new ATOM 623 N LEU A 42 -3.301 -13.876 3.499 1.00 0.00 N ATOM 624 CA LEU A 42 -4.502 -14.699 3.415 1.00 0.00 C ATOM 625 C LEU A 42 -5.619 -14.123 4.280 1.00 0.00 C ATOM 626 O LEU A 42 -6.752 -14.606 4.254 1.00 0.00 O ATOM 627 CB LEU A 42 -4.193 -16.133 3.850 1.00 0.00 C ATOM 628 CG LEU A 42 -3.039 -16.300 4.840 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.444 -15.807 6.220 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.594 -17.754 4.900 1.00 0.00 C ATOM 0 H LEU A 42 -2.769 -13.992 4.362 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.837 -14.704 2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.092 -16.558 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.970 -16.721 2.960 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.199 -15.698 4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.610 -15.934 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.713 -14.752 6.165 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.300 -16.381 6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.772 -17.854 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.429 -18.377 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.262 -18.074 3.912 1.00 0.00 H new ATOM 642 N LEU A 43 -5.293 -13.087 5.045 1.00 0.00 N ATOM 643 CA LEU A 43 -6.269 -12.443 5.917 1.00 0.00 C ATOM 644 C LEU A 43 -7.084 -11.407 5.150 1.00 0.00 C ATOM 645 O LEU A 43 -8.203 -11.071 5.540 1.00 0.00 O ATOM 646 CB LEU A 43 -5.563 -11.778 7.101 1.00 0.00 C ATOM 647 CG LEU A 43 -5.162 -12.705 8.250 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.461 -11.921 9.348 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.382 -13.427 8.803 1.00 0.00 C ATOM 0 H LEU A 43 -4.361 -12.675 5.079 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.948 -13.209 6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.666 -11.281 6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.216 -11.001 7.498 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.467 -13.451 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.183 -12.597 10.157 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.565 -11.451 8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.132 -11.153 9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.078 -14.082 9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.101 -12.696 9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.842 -14.021 8.013 1.00 0.00 H new ATOM 661 N TYR A 44 -6.519 -10.907 4.057 1.00 0.00 N ATOM 662 CA TYR A 44 -7.193 -9.910 3.235 1.00 0.00 C ATOM 663 C TYR A 44 -7.301 -10.380 1.788 1.00 0.00 C ATOM 664 O TYR A 44 -7.642 -9.604 0.894 1.00 0.00 O ATOM 665 CB TYR A 44 -6.445 -8.577 3.297 1.00 0.00 C ATOM 666 CG TYR A 44 -6.192 -8.089 4.705 1.00 0.00 C ATOM 667 CD1 TYR A 44 -5.036 -8.446 5.388 1.00 0.00 C ATOM 668 CD2 TYR A 44 -7.109 -7.271 5.353 1.00 0.00 C ATOM 669 CE1 TYR A 44 -4.801 -8.003 6.675 1.00 0.00 C ATOM 670 CE2 TYR A 44 -6.882 -6.822 6.640 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.727 -7.191 7.297 1.00 0.00 C ATOM 672 OH TYR A 44 -5.496 -6.747 8.578 1.00 0.00 O ATOM 0 H TYR A 44 -5.595 -11.176 3.720 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.200 -9.772 3.629 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.491 -8.681 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.018 -7.823 2.758 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.309 -9.081 4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.015 -6.981 4.842 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.897 -8.291 7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.605 -6.186 7.129 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.244 -6.185 8.869 1.00 0.00 H new ATOM 682 N HIS A 45 -7.007 -11.657 1.563 1.00 0.00 N ATOM 683 CA HIS A 45 -7.072 -12.232 0.224 1.00 0.00 C ATOM 684 C HIS A 45 -8.516 -12.322 -0.259 1.00 0.00 C ATOM 685 O HIS A 45 -9.430 -12.653 0.496 1.00 0.00 O ATOM 686 CB HIS A 45 -6.430 -13.620 0.212 1.00 0.00 C ATOM 687 CG HIS A 45 -5.888 -14.017 -1.127 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.635 -14.688 -2.072 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.666 -13.831 -1.678 1.00 0.00 C ATOM 690 CE1 HIS A 45 -5.895 -14.901 -3.146 1.00 0.00 C ATOM 691 NE2 HIS A 45 -4.696 -14.390 -2.932 1.00 0.00 N ATOM 0 H HIS A 45 -6.722 -12.313 2.290 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.522 -11.579 -0.453 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.622 -13.644 0.944 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.169 -14.356 0.529 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.824 -13.335 -1.217 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.216 -15.406 -4.045 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.918 -14.408 -3.592 1.00 0.00 H new ATOM 700 N PRO A 46 -8.728 -12.019 -1.549 1.00 0.00 N ATOM 701 CA PRO A 46 -10.059 -12.059 -2.162 1.00 0.00 C ATOM 702 C PRO A 46 -10.589 -13.481 -2.307 1.00 0.00 C ATOM 703 O PRO A 46 -11.758 -13.750 -2.028 1.00 0.00 O ATOM 704 CB PRO A 46 -9.834 -11.429 -3.539 1.00 0.00 C ATOM 705 CG PRO A 46 -8.393 -11.667 -3.833 1.00 0.00 C ATOM 706 CD PRO A 46 -7.686 -11.616 -2.507 1.00 0.00 C ATOM 0 HA PRO A 46 -10.802 -11.540 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.473 -11.888 -4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.066 -10.364 -3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.248 -12.633 -4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.003 -10.909 -4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.832 -12.293 -2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.307 -10.617 -2.292 1.00 0.00 H new ATOM 714 N ASP A 47 -9.723 -14.388 -2.745 1.00 0.00 N ATOM 715 CA ASP A 47 -10.104 -15.784 -2.925 1.00 0.00 C ATOM 716 C ASP A 47 -10.435 -16.435 -1.586 1.00 0.00 C ATOM 717 O ASP A 47 -11.466 -17.092 -1.441 1.00 0.00 O ATOM 718 CB ASP A 47 -8.979 -16.556 -3.616 1.00 0.00 C ATOM 719 CG ASP A 47 -9.494 -17.732 -4.423 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.035 -18.679 -3.813 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.358 -17.706 -5.664 1.00 0.00 O ATOM 0 H ASP A 47 -8.753 -14.182 -2.982 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.995 -15.813 -3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.429 -15.881 -4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.274 -16.915 -2.866 1.00 0.00 H new ATOM 726 N LYS A 48 -9.554 -16.248 -0.609 1.00 0.00 N ATOM 727 CA LYS A 48 -9.752 -16.816 0.720 1.00 0.00 C ATOM 728 C LYS A 48 -11.103 -16.400 1.293 1.00 0.00 C ATOM 729 O LYS A 48 -11.686 -17.114 2.109 1.00 0.00 O ATOM 730 CB LYS A 48 -8.629 -16.371 1.659 1.00 0.00 C ATOM 731 CG LYS A 48 -7.238 -16.670 1.129 1.00 0.00 C ATOM 732 CD LYS A 48 -6.780 -18.065 1.519 1.00 0.00 C ATOM 733 CE LYS A 48 -5.426 -18.398 0.911 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.562 -19.043 -0.424 1.00 0.00 N ATOM 0 H LYS A 48 -8.695 -15.707 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.734 -17.902 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.718 -15.299 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.755 -16.865 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.233 -16.575 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.534 -15.933 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.720 -18.139 2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.518 -18.797 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.836 -17.486 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.880 -19.062 1.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.618 -19.254 -0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.103 -19.926 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.060 -18.399 -1.071 1.00 0.00 H new ATOM 748 N GLN A 49 -11.595 -15.244 0.859 1.00 0.00 N ATOM 749 CA GLN A 49 -12.878 -14.736 1.330 1.00 0.00 C ATOM 750 C GLN A 49 -13.888 -15.868 1.487 1.00 0.00 C ATOM 751 O GLN A 49 -13.744 -16.930 0.881 1.00 0.00 O ATOM 752 CB GLN A 49 -13.421 -13.685 0.360 1.00 0.00 C ATOM 753 CG GLN A 49 -12.561 -12.434 0.275 1.00 0.00 C ATOM 754 CD GLN A 49 -12.460 -11.704 1.600 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.410 -11.055 2.039 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.305 -11.808 2.247 1.00 0.00 N ATOM 0 H GLN A 49 -11.125 -14.642 0.183 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.721 -14.275 2.305 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.504 -14.127 -0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.428 -13.404 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.561 -12.707 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.977 -11.762 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.544 -12.356 1.847 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.179 -11.340 3.144 1.00 0.00 H new ATOM 765 N SER A 50 -14.909 -15.635 2.305 1.00 0.00 N ATOM 766 CA SER A 50 -15.941 -16.637 2.546 1.00 0.00 C ATOM 767 C SER A 50 -17.257 -15.977 2.945 1.00 0.00 C ATOM 768 O SER A 50 -17.268 -14.910 3.559 1.00 0.00 O ATOM 769 CB SER A 50 -15.492 -17.609 3.639 1.00 0.00 C ATOM 770 OG SER A 50 -14.751 -18.685 3.092 1.00 0.00 O ATOM 0 H SER A 50 -15.044 -14.761 2.813 1.00 0.00 H new ATOM 0 HA SER A 50 -16.099 -17.190 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 50 -14.883 -17.080 4.373 1.00 0.00 H new ATOM 0 HB3 SER A 50 -16.364 -17.995 4.167 1.00 0.00 H new ATOM 0 HG SER A 50 -14.278 -18.382 2.289 1.00 0.00 H new ATOM 776 N ALA A 51 -18.365 -16.620 2.592 1.00 0.00 N ATOM 777 CA ALA A 51 -19.687 -16.097 2.914 1.00 0.00 C ATOM 778 C ALA A 51 -19.706 -15.473 4.305 1.00 0.00 C ATOM 779 O ALA A 51 -20.510 -14.584 4.586 1.00 0.00 O ATOM 780 CB ALA A 51 -20.729 -17.201 2.814 1.00 0.00 C ATOM 0 H ALA A 51 -18.373 -17.504 2.083 1.00 0.00 H new ATOM 0 HA ALA A 51 -19.929 -15.317 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -21.712 -16.797 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -20.741 -17.599 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -20.482 -17.999 3.514 1.00 0.00 H new ATOM 786 N ASP A 52 -18.817 -15.945 5.173 1.00 0.00 N ATOM 787 CA ASP A 52 -18.732 -15.432 6.535 1.00 0.00 C ATOM 788 C ASP A 52 -18.616 -13.911 6.537 1.00 0.00 C ATOM 789 O ASP A 52 -19.475 -13.213 7.077 1.00 0.00 O ATOM 790 CB ASP A 52 -17.535 -16.048 7.261 1.00 0.00 C ATOM 791 CG ASP A 52 -17.370 -15.508 8.668 1.00 0.00 C ATOM 792 OD1 ASP A 52 -18.398 -15.238 9.323 1.00 0.00 O ATOM 793 OD2 ASP A 52 -16.213 -15.355 9.113 1.00 0.00 O ATOM 0 H ASP A 52 -18.145 -16.682 4.957 1.00 0.00 H new ATOM 0 HA ASP A 52 -19.647 -15.709 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -17.657 -17.130 7.302 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.627 -15.851 6.691 1.00 0.00 H new ATOM 798 N VAL A 53 -17.548 -13.403 5.931 1.00 0.00 N ATOM 799 CA VAL A 53 -17.319 -11.964 5.863 1.00 0.00 C ATOM 800 C VAL A 53 -18.423 -11.270 5.073 1.00 0.00 C ATOM 801 O VAL A 53 -18.866 -11.746 4.028 1.00 0.00 O ATOM 802 CB VAL A 53 -15.959 -11.642 5.217 1.00 0.00 C ATOM 803 CG1 VAL A 53 -14.859 -12.488 5.839 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.021 -11.856 3.712 1.00 0.00 C ATOM 0 H VAL A 53 -16.827 -13.966 5.480 1.00 0.00 H new ATOM 0 HA VAL A 53 -17.322 -11.593 6.888 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.727 -10.593 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.905 -12.247 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.801 -12.281 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.082 -13.544 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.051 -11.624 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.276 -12.895 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.781 -11.203 3.283 1.00 0.00 H new ATOM 814 N PRO A 54 -18.877 -10.115 5.581 1.00 0.00 N ATOM 815 CA PRO A 54 -19.934 -9.328 4.938 1.00 0.00 C ATOM 816 C PRO A 54 -19.467 -8.685 3.637 1.00 0.00 C ATOM 817 O PRO A 54 -18.427 -9.051 3.091 1.00 0.00 O ATOM 818 CB PRO A 54 -20.260 -8.254 5.979 1.00 0.00 C ATOM 819 CG PRO A 54 -19.015 -8.118 6.786 1.00 0.00 C ATOM 820 CD PRO A 54 -18.394 -9.487 6.823 1.00 0.00 C ATOM 0 HA PRO A 54 -20.789 -9.944 4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -20.529 -7.311 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.105 -8.549 6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.336 -7.393 6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -19.239 -7.764 7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.306 -9.434 6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -18.707 -10.047 7.704 1.00 0.00 H new ATOM 828 N ALA A 55 -20.243 -7.724 3.145 1.00 0.00 N ATOM 829 CA ALA A 55 -19.907 -7.029 1.909 1.00 0.00 C ATOM 830 C ALA A 55 -19.051 -5.797 2.187 1.00 0.00 C ATOM 831 O ALA A 55 -18.129 -5.488 1.435 1.00 0.00 O ATOM 832 CB ALA A 55 -21.174 -6.635 1.164 1.00 0.00 C ATOM 0 H ALA A 55 -21.108 -7.410 3.584 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.327 -7.709 1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.908 -6.117 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.748 -7.530 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.775 -5.976 1.791 1.00 0.00 H new ATOM 838 N GLY A 56 -19.364 -5.098 3.274 1.00 0.00 N ATOM 839 CA GLY A 56 -18.614 -3.908 3.631 1.00 0.00 C ATOM 840 C GLY A 56 -17.153 -4.203 3.903 1.00 0.00 C ATOM 841 O GLY A 56 -16.272 -3.441 3.504 1.00 0.00 O ATOM 0 H GLY A 56 -20.123 -5.334 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.690 -3.179 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.060 -3.453 4.515 1.00 0.00 H new ATOM 845 N THR A 57 -16.892 -5.313 4.587 1.00 0.00 N ATOM 846 CA THR A 57 -15.528 -5.707 4.914 1.00 0.00 C ATOM 847 C THR A 57 -14.699 -5.920 3.653 1.00 0.00 C ATOM 848 O THR A 57 -13.513 -5.593 3.616 1.00 0.00 O ATOM 849 CB THR A 57 -15.501 -6.996 5.756 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.273 -6.819 6.949 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.074 -7.375 6.121 1.00 0.00 C ATOM 0 H THR A 57 -17.609 -5.955 4.925 1.00 0.00 H new ATOM 0 HA THR A 57 -15.096 -4.893 5.496 1.00 0.00 H new ATOM 0 HB THR A 57 -15.933 -7.801 5.161 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.252 -7.644 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.081 -8.289 6.716 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.497 -7.539 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.620 -6.570 6.698 1.00 0.00 H new ATOM 859 N MET A 58 -15.331 -6.469 2.621 1.00 0.00 N ATOM 860 CA MET A 58 -14.651 -6.723 1.356 1.00 0.00 C ATOM 861 C MET A 58 -13.900 -5.483 0.883 1.00 0.00 C ATOM 862 O MET A 58 -12.721 -5.554 0.539 1.00 0.00 O ATOM 863 CB MET A 58 -15.657 -7.161 0.290 1.00 0.00 C ATOM 864 CG MET A 58 -15.051 -8.035 -0.795 1.00 0.00 C ATOM 865 SD MET A 58 -14.291 -9.532 -0.138 1.00 0.00 S ATOM 866 CE MET A 58 -12.554 -9.120 -0.279 1.00 0.00 C ATOM 0 H MET A 58 -16.312 -6.746 2.636 1.00 0.00 H new ATOM 0 HA MET A 58 -13.929 -7.524 1.516 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.470 -7.705 0.771 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.095 -6.275 -0.171 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.826 -8.310 -1.510 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.302 -7.462 -1.342 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.046 -9.883 -0.869 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.448 -8.152 -0.769 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.109 -9.074 0.715 1.00 0.00 H new ATOM 876 N GLU A 59 -14.591 -4.347 0.869 1.00 0.00 N ATOM 877 CA GLU A 59 -13.988 -3.092 0.437 1.00 0.00 C ATOM 878 C GLU A 59 -12.715 -2.800 1.227 1.00 0.00 C ATOM 879 O GLU A 59 -11.676 -2.476 0.651 1.00 0.00 O ATOM 880 CB GLU A 59 -14.980 -1.939 0.604 1.00 0.00 C ATOM 881 CG GLU A 59 -14.764 -0.802 -0.380 1.00 0.00 C ATOM 882 CD GLU A 59 -15.491 0.465 0.024 1.00 0.00 C ATOM 883 OE1 GLU A 59 -15.351 0.882 1.193 1.00 0.00 O ATOM 884 OE2 GLU A 59 -16.200 1.041 -0.828 1.00 0.00 O ATOM 0 H GLU A 59 -15.568 -4.270 1.152 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.728 -3.188 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.993 -2.323 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.903 -1.549 1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.697 -0.594 -0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.104 -1.112 -1.368 1.00 0.00 H new ATOM 891 N GLU A 60 -12.805 -2.916 2.548 1.00 0.00 N ATOM 892 CA GLU A 60 -11.661 -2.663 3.416 1.00 0.00 C ATOM 893 C GLU A 60 -10.541 -3.664 3.146 1.00 0.00 C ATOM 894 O GLU A 60 -9.367 -3.297 3.086 1.00 0.00 O ATOM 895 CB GLU A 60 -12.082 -2.736 4.886 1.00 0.00 C ATOM 896 CG GLU A 60 -12.764 -1.475 5.387 1.00 0.00 C ATOM 897 CD GLU A 60 -11.797 -0.321 5.569 1.00 0.00 C ATOM 898 OE1 GLU A 60 -10.944 -0.401 6.478 1.00 0.00 O ATOM 899 OE2 GLU A 60 -11.892 0.660 4.803 1.00 0.00 O ATOM 0 H GLU A 60 -13.657 -3.183 3.040 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.289 -1.661 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.757 -3.582 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.201 -2.930 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.543 -1.184 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.256 -1.685 6.337 1.00 0.00 H new ATOM 906 N CYS A 61 -10.913 -4.929 2.986 1.00 0.00 N ATOM 907 CA CYS A 61 -9.940 -5.984 2.724 1.00 0.00 C ATOM 908 C CYS A 61 -8.932 -5.544 1.668 1.00 0.00 C ATOM 909 O CYS A 61 -7.723 -5.666 1.861 1.00 0.00 O ATOM 910 CB CYS A 61 -10.651 -7.259 2.267 1.00 0.00 C ATOM 911 SG CYS A 61 -11.118 -8.368 3.617 1.00 0.00 S ATOM 0 H CYS A 61 -11.880 -5.249 3.033 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.403 -6.187 3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.547 -6.983 1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.001 -7.797 1.577 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.714 -9.416 3.131 1.00 0.00 H new ATOM 917 N MET A 62 -9.438 -5.033 0.550 1.00 0.00 N ATOM 918 CA MET A 62 -8.581 -4.575 -0.537 1.00 0.00 C ATOM 919 C MET A 62 -7.516 -3.612 -0.021 1.00 0.00 C ATOM 920 O MET A 62 -6.320 -3.854 -0.178 1.00 0.00 O ATOM 921 CB MET A 62 -9.417 -3.895 -1.623 1.00 0.00 C ATOM 922 CG MET A 62 -8.825 -4.025 -3.017 1.00 0.00 C ATOM 923 SD MET A 62 -8.744 -5.737 -3.579 1.00 0.00 S ATOM 924 CE MET A 62 -7.916 -5.536 -5.155 1.00 0.00 C ATOM 0 H MET A 62 -10.437 -4.926 0.373 1.00 0.00 H new ATOM 0 HA MET A 62 -8.083 -5.445 -0.964 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.419 -4.325 -1.621 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.523 -2.838 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.425 -3.444 -3.718 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.823 -3.596 -3.024 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.792 -6.510 -5.628 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.514 -4.893 -5.801 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.938 -5.082 -4.997 1.00 0.00 H new ATOM 934 N GLN A 63 -7.960 -2.520 0.594 1.00 0.00 N ATOM 935 CA GLN A 63 -7.044 -1.521 1.132 1.00 0.00 C ATOM 936 C GLN A 63 -5.840 -2.186 1.792 1.00 0.00 C ATOM 937 O GLN A 63 -4.694 -1.915 1.433 1.00 0.00 O ATOM 938 CB GLN A 63 -7.766 -0.628 2.142 1.00 0.00 C ATOM 939 CG GLN A 63 -8.633 0.442 1.498 1.00 0.00 C ATOM 940 CD GLN A 63 -7.833 1.403 0.640 1.00 0.00 C ATOM 941 OE1 GLN A 63 -7.135 2.278 1.154 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.929 1.244 -0.675 1.00 0.00 N ATOM 0 H GLN A 63 -8.947 -2.305 0.732 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.688 -0.907 0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.389 -1.250 2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.027 -0.148 2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.398 -0.035 0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.152 1.001 2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.519 0.505 -1.058 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.412 1.860 -1.302 1.00 0.00 H new ATOM 951 N LYS A 64 -6.108 -3.057 2.759 1.00 0.00 N ATOM 952 CA LYS A 64 -5.047 -3.761 3.469 1.00 0.00 C ATOM 953 C LYS A 64 -4.205 -4.591 2.506 1.00 0.00 C ATOM 954 O LYS A 64 -3.019 -4.324 2.313 1.00 0.00 O ATOM 955 CB LYS A 64 -5.643 -4.665 4.551 1.00 0.00 C ATOM 956 CG LYS A 64 -6.227 -3.901 5.728 1.00 0.00 C ATOM 957 CD LYS A 64 -5.188 -3.670 6.813 1.00 0.00 C ATOM 958 CE LYS A 64 -4.165 -2.626 6.391 1.00 0.00 C ATOM 959 NZ LYS A 64 -3.411 -2.086 7.556 1.00 0.00 N ATOM 0 H LYS A 64 -7.051 -3.292 3.069 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.403 -3.018 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.423 -5.283 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.869 -5.341 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.615 -2.942 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.069 -4.456 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.683 -3.347 7.729 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.681 -4.608 7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.467 -3.068 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.671 -1.809 5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.724 -1.378 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.074 -1.642 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.908 -2.861 8.033 1.00 0.00 H new ATOM 973 N PHE A 65 -4.826 -5.599 1.902 1.00 0.00 N ATOM 974 CA PHE A 65 -4.134 -6.468 0.958 1.00 0.00 C ATOM 975 C PHE A 65 -3.154 -5.670 0.102 1.00 0.00 C ATOM 976 O PHE A 65 -1.997 -6.059 -0.061 1.00 0.00 O ATOM 977 CB PHE A 65 -5.142 -7.189 0.061 1.00 0.00 C ATOM 978 CG PHE A 65 -4.512 -8.182 -0.872 1.00 0.00 C ATOM 979 CD1 PHE A 65 -3.932 -9.342 -0.383 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.498 -7.956 -2.239 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.351 -10.258 -1.240 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.919 -8.869 -3.101 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.344 -10.021 -2.600 1.00 0.00 C ATOM 0 H PHE A 65 -5.808 -5.834 2.050 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.573 -7.208 1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.871 -7.703 0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.689 -6.450 -0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.934 -9.532 0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.945 -7.056 -2.636 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.903 -11.158 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.916 -8.682 -4.165 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.890 -10.735 -3.271 1.00 0.00 H new ATOM 993 N ILE A 66 -3.627 -4.555 -0.443 1.00 0.00 N ATOM 994 CA ILE A 66 -2.794 -3.702 -1.281 1.00 0.00 C ATOM 995 C ILE A 66 -1.486 -3.350 -0.580 1.00 0.00 C ATOM 996 O ILE A 66 -0.405 -3.707 -1.047 1.00 0.00 O ATOM 997 CB ILE A 66 -3.525 -2.401 -1.663 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.723 -2.709 -2.564 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.569 -1.440 -2.355 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.627 -1.519 -2.794 1.00 0.00 C ATOM 0 H ILE A 66 -4.583 -4.221 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.577 -4.267 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.891 -1.927 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.360 -3.071 -3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.304 -3.516 -2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.100 -0.525 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.745 -1.200 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.177 -1.905 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.454 -1.810 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.019 -1.170 -1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.060 -0.718 -3.268 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.594 -2.649 0.545 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.420 -2.250 1.311 1.00 0.00 C ATOM 1014 C GLU A 67 0.498 -3.443 1.560 1.00 0.00 C ATOM 1015 O GLU A 67 1.710 -3.361 1.354 1.00 0.00 O ATOM 1016 CB GLU A 67 -0.840 -1.629 2.645 1.00 0.00 C ATOM 1017 CG GLU A 67 -1.277 -0.179 2.530 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.508 -0.007 1.660 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.365 -0.035 0.419 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -3.612 0.155 2.219 1.00 0.00 O ATOM 0 H GLU A 67 -2.482 -2.346 0.945 1.00 0.00 H new ATOM 0 HA GLU A 67 0.126 -1.508 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.657 -2.214 3.067 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.007 -1.694 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.483 0.215 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.459 0.411 2.116 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.087 -4.550 2.004 1.00 0.00 N ATOM 1028 CA ILE A 68 0.678 -5.760 2.281 1.00 0.00 C ATOM 1029 C ILE A 68 1.495 -6.184 1.065 1.00 0.00 C ATOM 1030 O ILE A 68 2.712 -6.349 1.150 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.241 -6.923 2.699 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.095 -6.521 3.903 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.584 -8.161 3.018 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.431 -7.228 3.960 1.00 0.00 C ATOM 0 H ILE A 68 -1.088 -4.634 2.180 1.00 0.00 H new ATOM 0 HA ILE A 68 1.352 -5.526 3.105 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.906 -7.157 1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.542 -6.733 4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.264 -5.445 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.079 -8.974 3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.152 -8.457 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.271 -7.940 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.982 -6.894 4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.004 -6.996 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.271 -8.304 4.020 1.00 0.00 H new ATOM 1046 N ASP A 69 0.818 -6.356 -0.065 1.00 0.00 N ATOM 1047 CA ASP A 69 1.482 -6.757 -1.300 1.00 0.00 C ATOM 1048 C ASP A 69 2.655 -5.833 -1.611 1.00 0.00 C ATOM 1049 O ASP A 69 3.587 -6.216 -2.318 1.00 0.00 O ATOM 1050 CB ASP A 69 0.488 -6.750 -2.463 1.00 0.00 C ATOM 1051 CG ASP A 69 0.969 -7.578 -3.639 1.00 0.00 C ATOM 1052 OD1 ASP A 69 1.105 -8.809 -3.482 1.00 0.00 O ATOM 1053 OD2 ASP A 69 1.209 -6.994 -4.717 1.00 0.00 O ATOM 0 H ASP A 69 -0.190 -6.224 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 69 1.866 -7.768 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.472 -7.135 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.321 -5.723 -2.789 1.00 0.00 H new ATOM 1058 N GLN A 70 2.601 -4.617 -1.080 1.00 0.00 N ATOM 1059 CA GLN A 70 3.659 -3.638 -1.303 1.00 0.00 C ATOM 1060 C GLN A 70 4.792 -3.823 -0.300 1.00 0.00 C ATOM 1061 O GLN A 70 5.963 -3.878 -0.675 1.00 0.00 O ATOM 1062 CB GLN A 70 3.099 -2.218 -1.202 1.00 0.00 C ATOM 1063 CG GLN A 70 2.562 -1.681 -2.519 1.00 0.00 C ATOM 1064 CD GLN A 70 1.908 -0.321 -2.371 1.00 0.00 C ATOM 1065 OE1 GLN A 70 2.508 0.615 -1.841 1.00 0.00 O ATOM 1066 NE2 GLN A 70 0.671 -0.205 -2.839 1.00 0.00 N ATOM 0 H GLN A 70 1.836 -4.285 -0.492 1.00 0.00 H new ATOM 0 HA GLN A 70 4.057 -3.793 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.300 -2.203 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.882 -1.552 -0.840 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.378 -1.611 -3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.837 -2.386 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.212 -1.007 -3.271 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.180 0.686 -2.767 1.00 0.00 H new ATOM 1075 N ALA A 71 4.436 -3.919 0.977 1.00 0.00 N ATOM 1076 CA ALA A 71 5.423 -4.100 2.034 1.00 0.00 C ATOM 1077 C ALA A 71 6.449 -5.161 1.652 1.00 0.00 C ATOM 1078 O ALA A 71 7.637 -5.024 1.946 1.00 0.00 O ATOM 1079 CB ALA A 71 4.736 -4.473 3.340 1.00 0.00 C ATOM 0 H ALA A 71 3.471 -3.874 1.304 1.00 0.00 H new ATOM 0 HA ALA A 71 5.950 -3.156 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.485 -4.605 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.047 -3.679 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.183 -5.403 3.207 1.00 0.00 H new ATOM 1085 N TRP A 72 5.983 -6.218 0.996 1.00 0.00 N ATOM 1086 CA TRP A 72 6.861 -7.304 0.574 1.00 0.00 C ATOM 1087 C TRP A 72 7.872 -6.816 -0.458 1.00 0.00 C ATOM 1088 O TRP A 72 9.060 -7.129 -0.375 1.00 0.00 O ATOM 1089 CB TRP A 72 6.039 -8.457 -0.003 1.00 0.00 C ATOM 1090 CG TRP A 72 6.819 -9.728 -0.148 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.968 -10.474 -1.282 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.555 -10.403 0.878 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.752 -11.573 -1.023 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.126 -11.551 0.295 1.00 0.00 C ATOM 1095 CE3 TRP A 72 7.790 -10.149 2.232 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 8.914 -12.441 1.020 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 8.572 -11.033 2.951 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.127 -12.167 2.344 1.00 0.00 C ATOM 0 H TRP A 72 5.003 -6.346 0.745 1.00 0.00 H new ATOM 0 HA TRP A 72 7.406 -7.659 1.449 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.179 -8.639 0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.650 -8.164 -0.978 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.534 -10.236 -2.242 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.013 -12.288 -1.702 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.368 -9.277 2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.342 -13.316 0.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 8.758 -10.846 3.998 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.735 -12.838 2.932 1.00 0.00 H new ATOM 1109 N LYS A 73 7.394 -6.048 -1.431 1.00 0.00 N ATOM 1110 CA LYS A 73 8.256 -5.516 -2.480 1.00 0.00 C ATOM 1111 C LYS A 73 9.555 -4.973 -1.893 1.00 0.00 C ATOM 1112 O LYS A 73 10.619 -5.091 -2.503 1.00 0.00 O ATOM 1113 CB LYS A 73 7.532 -4.411 -3.252 1.00 0.00 C ATOM 1114 CG LYS A 73 6.392 -4.920 -4.117 1.00 0.00 C ATOM 1115 CD LYS A 73 6.061 -3.943 -5.234 1.00 0.00 C ATOM 1116 CE LYS A 73 5.064 -2.890 -4.775 1.00 0.00 C ATOM 1117 NZ LYS A 73 4.547 -2.082 -5.915 1.00 0.00 N ATOM 0 H LYS A 73 6.413 -5.780 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 73 8.499 -6.329 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.141 -3.681 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.251 -3.889 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.662 -5.886 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.509 -5.081 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.974 -3.456 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.652 -4.487 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.231 -3.376 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.540 -2.231 -4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.871 -1.376 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.339 -1.598 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.070 -2.707 -6.596 1.00 0.00 H new ATOM 1131 N ILE A 74 9.462 -4.382 -0.707 1.00 0.00 N ATOM 1132 CA ILE A 74 10.630 -3.824 -0.038 1.00 0.00 C ATOM 1133 C ILE A 74 11.211 -4.812 0.968 1.00 0.00 C ATOM 1134 O ILE A 74 12.386 -5.173 0.893 1.00 0.00 O ATOM 1135 CB ILE A 74 10.289 -2.509 0.688 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.950 -1.415 -0.326 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.449 -2.077 1.574 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.578 -1.569 -0.944 1.00 0.00 C ATOM 0 H ILE A 74 8.589 -4.277 -0.189 1.00 0.00 H new ATOM 0 HA ILE A 74 11.370 -3.620 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 74 9.417 -2.675 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.012 -0.444 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.699 -1.420 -1.118 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.193 -1.146 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.648 -2.851 2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.338 -1.924 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.405 -0.759 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.518 -2.525 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.820 -1.534 -0.161 1.00 0.00 H new ATOM 1150 N LEU A 75 10.380 -5.246 1.909 1.00 0.00 N ATOM 1151 CA LEU A 75 10.809 -6.195 2.931 1.00 0.00 C ATOM 1152 C LEU A 75 10.676 -7.630 2.432 1.00 0.00 C ATOM 1153 O LEU A 75 10.363 -8.539 3.200 1.00 0.00 O ATOM 1154 CB LEU A 75 9.987 -6.008 4.207 1.00 0.00 C ATOM 1155 CG LEU A 75 9.940 -4.588 4.772 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.954 -4.506 5.928 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.325 -4.145 5.218 1.00 0.00 C ATOM 0 H LEU A 75 9.405 -4.956 1.986 1.00 0.00 H new ATOM 0 HA LEU A 75 11.859 -6.003 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.966 -6.333 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.388 -6.670 4.974 1.00 0.00 H new ATOM 0 HG LEU A 75 9.602 -3.915 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.934 -3.488 6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.959 -4.780 5.578 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.262 -5.191 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.272 -3.132 5.617 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.692 -4.821 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.005 -4.164 4.366 1.00 0.00 H new ATOM 1169 N GLY A 76 10.917 -7.827 1.139 1.00 0.00 N ATOM 1170 CA GLY A 76 10.821 -9.155 0.561 1.00 0.00 C ATOM 1171 C GLY A 76 12.171 -9.708 0.151 1.00 0.00 C ATOM 1172 O GLY A 76 12.471 -10.875 0.397 1.00 0.00 O ATOM 0 H GLY A 76 11.177 -7.091 0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.360 -9.829 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.166 -9.123 -0.309 1.00 0.00 H new ATOM 1176 N ASN A 77 12.987 -8.868 -0.478 1.00 0.00 N ATOM 1177 CA ASN A 77 14.312 -9.281 -0.925 1.00 0.00 C ATOM 1178 C ASN A 77 15.396 -8.713 -0.013 1.00 0.00 C ATOM 1179 O ASN A 77 15.186 -7.706 0.663 1.00 0.00 O ATOM 1180 CB ASN A 77 14.552 -8.825 -2.366 1.00 0.00 C ATOM 1181 CG ASN A 77 13.733 -9.618 -3.366 1.00 0.00 C ATOM 1182 OD1 ASN A 77 12.954 -10.494 -2.992 1.00 0.00 O ATOM 1183 ND2 ASN A 77 13.908 -9.313 -4.647 1.00 0.00 N ATOM 0 H ASN A 77 12.754 -7.898 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 77 14.360 -10.369 -0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.305 -7.767 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.611 -8.927 -2.605 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.385 -9.813 -5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.565 -8.579 -4.911 1.00 0.00 H new ATOM 1190 N GLU A 78 16.554 -9.365 -0.001 1.00 0.00 N ATOM 1191 CA GLU A 78 17.670 -8.924 0.828 1.00 0.00 C ATOM 1192 C GLU A 78 18.181 -7.561 0.371 1.00 0.00 C ATOM 1193 O GLU A 78 18.472 -6.690 1.191 1.00 0.00 O ATOM 1194 CB GLU A 78 18.805 -9.949 0.780 1.00 0.00 C ATOM 1195 CG GLU A 78 19.252 -10.297 -0.629 1.00 0.00 C ATOM 1196 CD GLU A 78 20.372 -9.403 -1.124 1.00 0.00 C ATOM 1197 OE1 GLU A 78 21.344 -9.195 -0.368 1.00 0.00 O ATOM 1198 OE2 GLU A 78 20.277 -8.911 -2.268 1.00 0.00 O ATOM 0 H GLU A 78 16.744 -10.200 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 78 17.314 -8.834 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.658 -9.561 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 78 18.482 -10.860 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.583 -11.335 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 78 18.402 -10.216 -1.306 1.00 0.00 H new ATOM 1205 N GLU A 79 18.288 -7.385 -0.942 1.00 0.00 N ATOM 1206 CA GLU A 79 18.765 -6.128 -1.507 1.00 0.00 C ATOM 1207 C GLU A 79 17.835 -4.977 -1.137 1.00 0.00 C ATOM 1208 O GLU A 79 18.283 -3.913 -0.707 1.00 0.00 O ATOM 1209 CB GLU A 79 18.879 -6.238 -3.029 1.00 0.00 C ATOM 1210 CG GLU A 79 17.622 -6.772 -3.696 1.00 0.00 C ATOM 1211 CD GLU A 79 17.763 -6.883 -5.202 1.00 0.00 C ATOM 1212 OE1 GLU A 79 18.893 -7.126 -5.675 1.00 0.00 O ATOM 1213 OE2 GLU A 79 16.745 -6.726 -5.906 1.00 0.00 O ATOM 0 H GLU A 79 18.051 -8.096 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 79 19.751 -5.923 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.109 -5.255 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.717 -6.890 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.385 -7.753 -3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.784 -6.116 -3.461 1.00 0.00 H new ATOM 1220 N THR A 80 16.535 -5.196 -1.309 1.00 0.00 N ATOM 1221 CA THR A 80 15.540 -4.178 -0.995 1.00 0.00 C ATOM 1222 C THR A 80 15.442 -3.949 0.509 1.00 0.00 C ATOM 1223 O THR A 80 15.616 -2.829 0.989 1.00 0.00 O ATOM 1224 CB THR A 80 14.150 -4.565 -1.535 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.850 -5.921 -1.188 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.091 -4.398 -3.046 1.00 0.00 C ATOM 0 H THR A 80 16.147 -6.070 -1.664 1.00 0.00 H new ATOM 0 HA THR A 80 15.867 -3.258 -1.479 1.00 0.00 H new ATOM 0 HB THR A 80 13.412 -3.903 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.157 -5.936 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.100 -4.677 -3.404 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.291 -3.358 -3.305 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.839 -5.039 -3.512 1.00 0.00 H new ATOM 1234 N LYS A 81 15.164 -5.017 1.248 1.00 0.00 N ATOM 1235 CA LYS A 81 15.046 -4.934 2.699 1.00 0.00 C ATOM 1236 C LYS A 81 16.273 -4.263 3.308 1.00 0.00 C ATOM 1237 O LYS A 81 16.170 -3.537 4.297 1.00 0.00 O ATOM 1238 CB LYS A 81 14.865 -6.331 3.298 1.00 0.00 C ATOM 1239 CG LYS A 81 14.193 -6.327 4.660 1.00 0.00 C ATOM 1240 CD LYS A 81 15.210 -6.222 5.783 1.00 0.00 C ATOM 1241 CE LYS A 81 15.676 -7.595 6.244 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.868 -8.060 5.482 1.00 0.00 N ATOM 0 H LYS A 81 15.016 -5.951 0.866 1.00 0.00 H new ATOM 0 HA LYS A 81 14.170 -4.329 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.273 -6.937 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.841 -6.809 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.496 -5.491 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.609 -7.239 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.068 -5.640 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.771 -5.684 6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.915 -7.560 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.865 -8.313 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.439 -8.690 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.558 -8.575 4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.441 -7.239 5.199 1.00 0.00 H new ATOM 1256 N LYS A 82 17.434 -4.511 2.711 1.00 0.00 N ATOM 1257 CA LYS A 82 18.682 -3.929 3.192 1.00 0.00 C ATOM 1258 C LYS A 82 18.701 -2.421 2.966 1.00 0.00 C ATOM 1259 O LYS A 82 18.963 -1.648 3.888 1.00 0.00 O ATOM 1260 CB LYS A 82 19.875 -4.577 2.487 1.00 0.00 C ATOM 1261 CG LYS A 82 21.220 -4.128 3.032 1.00 0.00 C ATOM 1262 CD LYS A 82 22.297 -4.166 1.960 1.00 0.00 C ATOM 1263 CE LYS A 82 22.264 -2.916 1.094 1.00 0.00 C ATOM 1264 NZ LYS A 82 22.847 -1.739 1.795 1.00 0.00 N ATOM 0 H LYS A 82 17.537 -5.111 1.893 1.00 0.00 H new ATOM 0 HA LYS A 82 18.754 -4.119 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.797 -5.660 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.828 -4.345 1.423 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.134 -3.116 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.510 -4.771 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.276 -4.259 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.158 -5.048 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.815 -3.099 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.234 -2.697 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.946 -0.950 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.221 -1.454 2.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 23.782 -1.990 2.176 1.00 0.00 H new ATOM 1278 N LYS A 83 18.422 -2.008 1.734 1.00 0.00 N ATOM 1279 CA LYS A 83 18.405 -0.592 1.387 1.00 0.00 C ATOM 1280 C LYS A 83 17.401 0.168 2.249 1.00 0.00 C ATOM 1281 O LYS A 83 17.710 1.231 2.786 1.00 0.00 O ATOM 1282 CB LYS A 83 18.061 -0.413 -0.093 1.00 0.00 C ATOM 1283 CG LYS A 83 19.147 -0.903 -1.034 1.00 0.00 C ATOM 1284 CD LYS A 83 18.608 -1.134 -2.436 1.00 0.00 C ATOM 1285 CE LYS A 83 19.730 -1.187 -3.462 1.00 0.00 C ATOM 1286 NZ LYS A 83 20.356 0.148 -3.669 1.00 0.00 N ATOM 0 H LYS A 83 18.204 -2.634 0.959 1.00 0.00 H new ATOM 0 HA LYS A 83 19.399 -0.186 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.136 -0.948 -0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 83 17.872 0.643 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.955 -0.173 -1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.572 -1.830 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.045 -2.067 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.913 -0.336 -2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 83 20.489 -1.897 -3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.338 -1.555 -4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 20.872 0.153 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 19.616 0.879 -3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.017 0.346 -2.891 1.00 0.00 H new ATOM 1300 N TYR A 84 16.201 -0.386 2.377 1.00 0.00 N ATOM 1301 CA TYR A 84 15.152 0.240 3.173 1.00 0.00 C ATOM 1302 C TYR A 84 15.699 0.724 4.512 1.00 0.00 C ATOM 1303 O TYR A 84 15.626 1.910 4.833 1.00 0.00 O ATOM 1304 CB TYR A 84 14.003 -0.743 3.405 1.00 0.00 C ATOM 1305 CG TYR A 84 12.791 -0.116 4.057 1.00 0.00 C ATOM 1306 CD1 TYR A 84 12.173 0.995 3.496 1.00 0.00 C ATOM 1307 CD2 TYR A 84 12.266 -0.633 5.234 1.00 0.00 C ATOM 1308 CE1 TYR A 84 11.066 1.572 4.089 1.00 0.00 C ATOM 1309 CE2 TYR A 84 11.159 -0.064 5.833 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.563 1.038 5.257 1.00 0.00 C ATOM 1311 OH TYR A 84 9.461 1.609 5.851 1.00 0.00 O ATOM 0 H TYR A 84 15.930 -1.267 1.940 1.00 0.00 H new ATOM 0 HA TYR A 84 14.778 1.102 2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.708 -1.176 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.358 -1.563 4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.564 1.415 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.731 -1.495 5.689 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.598 2.436 3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.762 -0.480 6.747 1.00 0.00 H new ATOM 0 HH TYR A 84 8.969 2.137 5.188 1.00 0.00 H new ATOM 1321 N ASP A 85 16.248 -0.203 5.289 1.00 0.00 N ATOM 1322 CA ASP A 85 16.811 0.127 6.593 1.00 0.00 C ATOM 1323 C ASP A 85 17.570 1.449 6.539 1.00 0.00 C ATOM 1324 O ASP A 85 17.377 2.324 7.384 1.00 0.00 O ATOM 1325 CB ASP A 85 17.741 -0.990 7.069 1.00 0.00 C ATOM 1326 CG ASP A 85 17.794 -1.094 8.581 1.00 0.00 C ATOM 1327 OD1 ASP A 85 18.432 -0.227 9.214 1.00 0.00 O ATOM 1328 OD2 ASP A 85 17.196 -2.042 9.131 1.00 0.00 O ATOM 0 H ASP A 85 16.315 -1.189 5.038 1.00 0.00 H new ATOM 0 HA ASP A 85 15.988 0.230 7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.405 -1.940 6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.745 -0.811 6.685 1.00 0.00 H new ATOM 1333 N LEU A 86 18.435 1.587 5.540 1.00 0.00 N ATOM 1334 CA LEU A 86 19.225 2.803 5.375 1.00 0.00 C ATOM 1335 C LEU A 86 18.329 3.998 5.069 1.00 0.00 C ATOM 1336 O LEU A 86 18.491 5.071 5.650 1.00 0.00 O ATOM 1337 CB LEU A 86 20.250 2.620 4.254 1.00 0.00 C ATOM 1338 CG LEU A 86 21.480 1.780 4.600 1.00 0.00 C ATOM 1339 CD1 LEU A 86 22.183 2.341 5.826 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.087 0.327 4.826 1.00 0.00 C ATOM 0 H LEU A 86 18.607 0.873 4.832 1.00 0.00 H new ATOM 0 HA LEU A 86 19.749 2.996 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.749 2.160 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.587 3.606 3.932 1.00 0.00 H new ATOM 0 HG LEU A 86 22.173 1.822 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 86 23.056 1.730 6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.499 3.365 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.499 2.331 6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.975 -0.256 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.374 0.267 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.630 -0.071 3.920 1.00 0.00 H new ATOM 1352 N GLN A 87 17.382 3.803 4.156 1.00 0.00 N ATOM 1353 CA GLN A 87 16.459 4.866 3.776 1.00 0.00 C ATOM 1354 C GLN A 87 15.697 5.386 4.990 1.00 0.00 C ATOM 1355 O GLN A 87 15.607 6.594 5.207 1.00 0.00 O ATOM 1356 CB GLN A 87 15.475 4.360 2.719 1.00 0.00 C ATOM 1357 CG GLN A 87 16.048 4.346 1.311 1.00 0.00 C ATOM 1358 CD GLN A 87 16.094 5.726 0.685 1.00 0.00 C ATOM 1359 OE1 GLN A 87 17.151 6.354 0.616 1.00 0.00 O ATOM 1360 NE2 GLN A 87 14.945 6.206 0.225 1.00 0.00 N ATOM 0 H GLN A 87 17.234 2.920 3.667 1.00 0.00 H new ATOM 0 HA GLN A 87 17.041 5.687 3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.158 3.351 2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.584 4.988 2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.055 3.929 1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.446 3.687 0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.093 5.651 0.303 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.914 7.130 -0.206 1.00 0.00 H new ATOM 1369 N ARG A 88 15.150 4.466 5.778 1.00 0.00 N ATOM 1370 CA ARG A 88 14.394 4.832 6.970 1.00 0.00 C ATOM 1371 C ARG A 88 15.311 5.428 8.033 1.00 0.00 C ATOM 1372 O ARG A 88 16.517 5.562 7.823 1.00 0.00 O ATOM 1373 CB ARG A 88 13.668 3.610 7.534 1.00 0.00 C ATOM 1374 CG ARG A 88 14.604 2.517 8.022 1.00 0.00 C ATOM 1375 CD ARG A 88 13.834 1.347 8.615 1.00 0.00 C ATOM 1376 NE ARG A 88 13.291 1.661 9.934 1.00 0.00 N ATOM 1377 CZ ARG A 88 12.111 2.240 10.124 1.00 0.00 C ATOM 1378 NH1 ARG A 88 11.354 2.565 9.086 1.00 0.00 N ATOM 1379 NH2 ARG A 88 11.685 2.493 11.355 1.00 0.00 N ATOM 0 H ARG A 88 15.216 3.462 5.612 1.00 0.00 H new ATOM 0 HA ARG A 88 13.658 5.584 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 88 13.030 3.926 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.014 3.200 6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.219 2.166 7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.282 2.925 8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.020 1.071 7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.492 0.481 8.691 1.00 0.00 H new ATOM 0 HE ARG A 88 13.849 1.423 10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.677 2.371 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.448 3.010 9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.264 2.243 12.157 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.779 2.938 11.500 1.00 0.00 H new