USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 369 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 47 THR OG1 : rot -160:sc= 0 USER MOD Set 1.2: A 72 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.17) USER MOD Set 2.1: A 45 CYS SG : rot -153:sc= -0.373 USER MOD Set 2.2: A 48 CYS SG : rot 150:sc= -3.39 USER MOD Set 2.3: A 65 CYS SG : rot -129:sc= 0.189 USER MOD Set 3.1: A 18 CYS SG : rot -6:sc= 1.24 USER MOD Set 3.2: A 21 CYS SG : rot -54:sc= -0.622 USER MOD Set 3.3: A 39 HIS : no HD1:sc= -0.492 K(o=-0.99,f=-1.5) USER MOD Set 3.4: A 42 CYS SG : rot -168:sc= -1.12 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.00036) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0402) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.08) USER MOD Single : A 46 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.048) USER MOD Single : A 49 SER OG : rot -61:sc= 0.546 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0962) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0332 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.214 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 218 N HIS A 17 -8.165 -9.464 -3.933 1.00 0.00 N ATOM 219 CA HIS A 17 -6.822 -10.034 -3.903 1.00 0.00 C ATOM 220 C HIS A 17 -6.005 -9.439 -2.760 1.00 0.00 C ATOM 221 O HIS A 17 -6.222 -8.296 -2.358 1.00 0.00 O ATOM 222 CB HIS A 17 -6.112 -9.790 -5.235 1.00 0.00 C ATOM 223 CG HIS A 17 -6.985 -10.018 -6.430 1.00 0.00 C ATOM 224 ND1 HIS A 17 -7.460 -8.993 -7.221 1.00 0.00 N ATOM 225 CD2 HIS A 17 -7.468 -11.161 -6.969 1.00 0.00 C ATOM 226 CE1 HIS A 17 -8.199 -9.496 -8.194 1.00 0.00 C ATOM 227 NE2 HIS A 17 -8.219 -10.810 -8.063 1.00 0.00 N ATOM 0 HA HIS A 17 -6.913 -11.108 -3.740 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.741 -8.765 -5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.243 -10.445 -5.300 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.295 -12.163 -6.606 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.701 -8.930 -8.965 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.713 -11.459 -8.676 1.00 0.00 H new ATOM 236 N CYS A 18 -5.065 -10.222 -2.241 1.00 0.00 N ATOM 237 CA CYS A 18 -4.216 -9.774 -1.145 1.00 0.00 C ATOM 238 C CYS A 18 -3.452 -8.510 -1.529 1.00 0.00 C ATOM 239 O CYS A 18 -2.809 -8.456 -2.577 1.00 0.00 O ATOM 240 CB CYS A 18 -3.232 -10.877 -0.750 1.00 0.00 C ATOM 241 SG CYS A 18 -2.195 -10.468 0.691 1.00 0.00 S ATOM 0 H CYS A 18 -4.872 -11.171 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.857 -9.545 -0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.791 -11.788 -0.535 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -2.585 -11.093 -1.600 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.407 -9.234 1.042 1.00 0.00 H new ATOM 246 N ALA A 19 -3.527 -7.496 -0.674 1.00 0.00 N ATOM 247 CA ALA A 19 -2.841 -6.234 -0.922 1.00 0.00 C ATOM 248 C ALA A 19 -1.374 -6.317 -0.513 1.00 0.00 C ATOM 249 O ALA A 19 -0.700 -5.297 -0.374 1.00 0.00 O ATOM 250 CB ALA A 19 -3.535 -5.101 -0.180 1.00 0.00 C ATOM 0 H ALA A 19 -4.056 -7.524 0.197 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.882 -6.031 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.012 -4.165 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.566 -5.019 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.525 -5.307 0.890 1.00 0.00 H new ATOM 256 N GLY A 20 -0.886 -7.538 -0.321 1.00 0.00 N ATOM 257 CA GLY A 20 0.498 -7.731 0.071 1.00 0.00 C ATOM 258 C GLY A 20 1.275 -8.561 -0.932 1.00 0.00 C ATOM 259 O GLY A 20 2.426 -8.256 -1.243 1.00 0.00 O ATOM 0 H GLY A 20 -1.424 -8.398 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.979 -6.759 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.532 -8.219 1.045 1.00 0.00 H new ATOM 263 N CYS A 21 0.645 -9.616 -1.437 1.00 0.00 N ATOM 264 CA CYS A 21 1.284 -10.496 -2.409 1.00 0.00 C ATOM 265 C CYS A 21 0.498 -10.524 -3.717 1.00 0.00 C ATOM 266 O CYS A 21 0.909 -11.161 -4.687 1.00 0.00 O ATOM 267 CB CYS A 21 1.404 -11.913 -1.843 1.00 0.00 C ATOM 268 SG CYS A 21 -0.191 -12.675 -1.402 1.00 0.00 S ATOM 0 H CYS A 21 -0.308 -9.883 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 21 2.282 -10.107 -2.613 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.906 -12.544 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.039 -11.887 -0.957 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.835 -11.893 -0.588 1.00 0.00 H new ATOM 273 N LYS A 22 -0.634 -9.828 -3.735 1.00 0.00 N ATOM 274 CA LYS A 22 -1.477 -9.770 -4.923 1.00 0.00 C ATOM 275 C LYS A 22 -1.972 -11.161 -5.307 1.00 0.00 C ATOM 276 O LYS A 22 -1.855 -11.574 -6.461 1.00 0.00 O ATOM 277 CB LYS A 22 -0.707 -9.151 -6.091 1.00 0.00 C ATOM 278 CG LYS A 22 -0.585 -7.639 -6.007 1.00 0.00 C ATOM 279 CD LYS A 22 -1.872 -6.952 -6.431 1.00 0.00 C ATOM 280 CE LYS A 22 -1.740 -5.438 -6.376 1.00 0.00 C ATOM 281 NZ LYS A 22 -1.640 -4.940 -4.976 1.00 0.00 N ATOM 0 H LYS A 22 -0.989 -9.296 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.341 -9.146 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.292 -9.586 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.205 -9.416 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.336 -7.349 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.234 -7.303 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.133 -7.259 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.687 -7.271 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.856 -5.130 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.601 -4.981 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.654 -3.900 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.445 -5.297 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.752 -5.274 -4.551 1.00 0.00 H new ATOM 295 N GLU A 23 -2.526 -11.877 -4.334 1.00 0.00 N ATOM 296 CA GLU A 23 -3.039 -13.221 -4.572 1.00 0.00 C ATOM 297 C GLU A 23 -4.504 -13.325 -4.159 1.00 0.00 C ATOM 298 O GLU A 23 -4.893 -12.856 -3.090 1.00 0.00 O ATOM 299 CB GLU A 23 -2.207 -14.252 -3.806 1.00 0.00 C ATOM 300 CG GLU A 23 -0.878 -14.575 -4.468 1.00 0.00 C ATOM 301 CD GLU A 23 -1.008 -15.622 -5.556 1.00 0.00 C ATOM 302 OE1 GLU A 23 -1.901 -15.477 -6.417 1.00 0.00 O ATOM 303 OE2 GLU A 23 -0.215 -16.588 -5.547 1.00 0.00 O ATOM 0 H GLU A 23 -2.631 -11.549 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.965 -13.427 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.021 -13.880 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.785 -15.170 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.458 -13.664 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.176 -14.927 -3.712 1.00 0.00 H new ATOM 419 N LEU A 31 -7.349 -10.625 6.180 1.00 0.00 N ATOM 420 CA LEU A 31 -7.223 -9.790 7.369 1.00 0.00 C ATOM 421 C LEU A 31 -7.638 -8.353 7.072 1.00 0.00 C ATOM 422 O LEU A 31 -7.039 -7.685 6.227 1.00 0.00 O ATOM 423 CB LEU A 31 -5.784 -9.821 7.888 1.00 0.00 C ATOM 424 CG LEU A 31 -5.592 -9.438 9.356 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.196 -9.815 9.827 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.840 -7.950 9.555 1.00 0.00 C ATOM 0 HA LEU A 31 -7.888 -10.189 8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.387 -10.825 7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.184 -9.148 7.276 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.317 -9.990 9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.077 -9.535 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.054 -10.890 9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.455 -9.290 9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.699 -7.695 10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.139 -7.380 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.860 -7.708 9.257 1.00 0.00 H new ATOM 438 N LEU A 32 -8.664 -7.882 7.772 1.00 0.00 N ATOM 439 CA LEU A 32 -9.157 -6.522 7.585 1.00 0.00 C ATOM 440 C LEU A 32 -8.139 -5.500 8.080 1.00 0.00 C ATOM 441 O LEU A 32 -7.786 -5.481 9.259 1.00 0.00 O ATOM 442 CB LEU A 32 -10.485 -6.334 8.321 1.00 0.00 C ATOM 443 CG LEU A 32 -11.747 -6.676 7.528 1.00 0.00 C ATOM 444 CD1 LEU A 32 -11.906 -5.732 6.346 1.00 0.00 C ATOM 445 CD2 LEU A 32 -11.705 -8.122 7.056 1.00 0.00 C ATOM 0 H LEU A 32 -9.171 -8.421 8.474 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.314 -6.363 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.468 -6.948 9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.554 -5.295 8.645 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.609 -6.554 8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.809 -5.990 5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.982 -4.706 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.041 -5.822 5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.611 -8.348 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.835 -8.271 6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.639 -8.785 7.919 1.00 0.00 H new ATOM 457 N ALA A 33 -7.672 -4.649 7.172 1.00 0.00 N ATOM 458 CA ALA A 33 -6.698 -3.621 7.517 1.00 0.00 C ATOM 459 C ALA A 33 -6.616 -2.555 6.430 1.00 0.00 C ATOM 460 O ALA A 33 -6.466 -2.869 5.248 1.00 0.00 O ATOM 461 CB ALA A 33 -5.331 -4.247 7.750 1.00 0.00 C ATOM 0 H ALA A 33 -7.953 -4.651 6.191 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.026 -3.138 8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.613 -3.468 8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.394 -4.966 8.567 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.005 -4.756 6.843 1.00 0.00 H new ATOM 467 N LEU A 34 -6.716 -1.294 6.836 1.00 0.00 N ATOM 468 CA LEU A 34 -6.653 -0.181 5.895 1.00 0.00 C ATOM 469 C LEU A 34 -7.682 -0.350 4.782 1.00 0.00 C ATOM 470 O LEU A 34 -7.367 -0.191 3.603 1.00 0.00 O ATOM 471 CB LEU A 34 -5.250 -0.072 5.296 1.00 0.00 C ATOM 472 CG LEU A 34 -4.155 0.429 6.238 1.00 0.00 C ATOM 473 CD1 LEU A 34 -3.699 -0.685 7.167 1.00 0.00 C ATOM 474 CD2 LEU A 34 -2.979 0.979 5.445 1.00 0.00 C ATOM 0 H LEU A 34 -6.841 -1.017 7.810 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.881 0.736 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.959 -1.054 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.295 0.596 4.436 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.567 1.235 6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.919 -0.310 7.830 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.544 -1.032 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.306 -1.513 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.210 1.331 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.568 0.193 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.316 1.808 4.822 1.00 0.00 H new ATOM 486 N ASP A 35 -8.913 -0.671 5.165 1.00 0.00 N ATOM 487 CA ASP A 35 -9.990 -0.858 4.200 1.00 0.00 C ATOM 488 C ASP A 35 -9.551 -1.784 3.069 1.00 0.00 C ATOM 489 O ASP A 35 -10.065 -1.705 1.953 1.00 0.00 O ATOM 490 CB ASP A 35 -10.432 0.491 3.629 1.00 0.00 C ATOM 491 CG ASP A 35 -10.833 1.474 4.711 1.00 0.00 C ATOM 492 OD1 ASP A 35 -10.021 1.709 5.630 1.00 0.00 O ATOM 493 OD2 ASP A 35 -11.959 2.009 4.638 1.00 0.00 O ATOM 0 H ASP A 35 -9.190 -0.807 6.137 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.832 -1.318 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.620 0.916 3.039 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.272 0.338 2.952 1.00 0.00 H new ATOM 498 N LYS A 36 -8.598 -2.660 3.366 1.00 0.00 N ATOM 499 CA LYS A 36 -8.089 -3.602 2.375 1.00 0.00 C ATOM 500 C LYS A 36 -8.143 -5.031 2.906 1.00 0.00 C ATOM 501 O LYS A 36 -8.607 -5.271 4.020 1.00 0.00 O ATOM 502 CB LYS A 36 -6.652 -3.243 1.991 1.00 0.00 C ATOM 503 CG LYS A 36 -6.558 -2.300 0.804 1.00 0.00 C ATOM 504 CD LYS A 36 -5.253 -1.521 0.813 1.00 0.00 C ATOM 505 CE LYS A 36 -5.263 -0.428 1.872 1.00 0.00 C ATOM 506 NZ LYS A 36 -4.107 0.498 1.724 1.00 0.00 N ATOM 0 H LYS A 36 -8.162 -2.738 4.285 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.722 -3.538 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.159 -2.785 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.107 -4.158 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.636 -2.870 -0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.398 -1.605 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.423 -2.202 1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.086 -1.077 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.192 0.137 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.240 -0.882 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.150 1.228 2.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.220 -0.037 1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.142 0.951 0.788 1.00 0.00 H new ATOM 520 N GLN A 37 -7.663 -5.974 2.102 1.00 0.00 N ATOM 521 CA GLN A 37 -7.656 -7.379 2.492 1.00 0.00 C ATOM 522 C GLN A 37 -6.260 -7.976 2.352 1.00 0.00 C ATOM 523 O GLN A 37 -5.716 -8.054 1.250 1.00 0.00 O ATOM 524 CB GLN A 37 -8.651 -8.172 1.642 1.00 0.00 C ATOM 525 CG GLN A 37 -10.100 -7.962 2.048 1.00 0.00 C ATOM 526 CD GLN A 37 -11.076 -8.396 0.971 1.00 0.00 C ATOM 527 OE1 GLN A 37 -11.260 -9.589 0.729 1.00 0.00 O ATOM 528 NE2 GLN A 37 -11.708 -7.426 0.320 1.00 0.00 N ATOM 0 H GLN A 37 -7.274 -5.791 1.177 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.954 -7.441 3.539 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.530 -7.888 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.412 -9.233 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.302 -8.520 2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.261 -6.908 2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.524 -6.450 0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.377 -7.657 -0.414 1.00 0.00 H new ATOM 537 N TRP A 38 -5.686 -8.396 3.473 1.00 0.00 N ATOM 538 CA TRP A 38 -4.352 -8.986 3.475 1.00 0.00 C ATOM 539 C TRP A 38 -4.374 -10.381 4.089 1.00 0.00 C ATOM 540 O TRP A 38 -5.277 -10.718 4.856 1.00 0.00 O ATOM 541 CB TRP A 38 -3.377 -8.092 4.244 1.00 0.00 C ATOM 542 CG TRP A 38 -3.596 -6.629 4.002 1.00 0.00 C ATOM 543 CD1 TRP A 38 -4.718 -5.908 4.300 1.00 0.00 C ATOM 544 CD2 TRP A 38 -2.671 -5.710 3.412 1.00 0.00 C ATOM 545 NE1 TRP A 38 -4.545 -4.596 3.930 1.00 0.00 N ATOM 546 CE2 TRP A 38 -3.298 -4.449 3.384 1.00 0.00 C ATOM 547 CE3 TRP A 38 -1.373 -5.829 2.907 1.00 0.00 C ATOM 548 CZ2 TRP A 38 -2.670 -3.317 2.869 1.00 0.00 C ATOM 549 CZ3 TRP A 38 -0.752 -4.705 2.397 1.00 0.00 C ATOM 550 CH2 TRP A 38 -1.400 -3.463 2.381 1.00 0.00 C ATOM 0 H TRP A 38 -6.123 -8.339 4.393 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.018 -9.070 2.441 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.473 -8.295 5.311 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -2.357 -8.351 3.961 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.609 -6.310 4.759 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.234 -3.852 4.044 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.865 -6.782 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.168 -2.359 2.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.251 -4.785 2.004 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.887 -2.604 1.975 1.00 0.00 H new ATOM 561 N HIS A 39 -3.376 -11.190 3.748 1.00 0.00 N ATOM 562 CA HIS A 39 -3.282 -12.549 4.268 1.00 0.00 C ATOM 563 C HIS A 39 -2.832 -12.543 5.726 1.00 0.00 C ATOM 564 O HIS A 39 -2.409 -11.514 6.252 1.00 0.00 O ATOM 565 CB HIS A 39 -2.309 -13.374 3.425 1.00 0.00 C ATOM 566 CG HIS A 39 -2.864 -13.780 2.095 1.00 0.00 C ATOM 567 ND1 HIS A 39 -2.074 -14.026 0.992 1.00 0.00 N ATOM 568 CD2 HIS A 39 -4.141 -13.985 1.694 1.00 0.00 C ATOM 569 CE1 HIS A 39 -2.840 -14.363 -0.030 1.00 0.00 C ATOM 570 NE2 HIS A 39 -4.099 -14.346 0.370 1.00 0.00 N ATOM 0 H HIS A 39 -2.621 -10.928 3.114 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.272 -13.002 4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.398 -12.797 3.268 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.028 -14.269 3.981 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.028 -13.883 2.302 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.496 -14.610 -1.023 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.908 -14.565 -0.211 1.00 0.00 H new ATOM 578 N VAL A 40 -2.926 -13.700 6.374 1.00 0.00 N ATOM 579 CA VAL A 40 -2.529 -13.828 7.771 1.00 0.00 C ATOM 580 C VAL A 40 -1.011 -13.829 7.912 1.00 0.00 C ATOM 581 O VAL A 40 -0.480 -13.708 9.016 1.00 0.00 O ATOM 582 CB VAL A 40 -3.093 -15.117 8.399 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.744 -15.187 9.878 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.598 -15.194 8.193 1.00 0.00 C ATOM 0 H VAL A 40 -3.274 -14.562 5.954 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.940 -12.967 8.298 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.637 -15.973 7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.150 -16.104 10.305 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.661 -15.181 9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.171 -14.327 10.394 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.980 -16.110 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.074 -14.333 8.663 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.820 -15.194 7.126 1.00 0.00 H new ATOM 594 N SER A 41 -0.317 -13.967 6.787 1.00 0.00 N ATOM 595 CA SER A 41 1.141 -13.987 6.785 1.00 0.00 C ATOM 596 C SER A 41 1.698 -12.916 5.852 1.00 0.00 C ATOM 597 O SER A 41 2.856 -12.977 5.439 1.00 0.00 O ATOM 598 CB SER A 41 1.652 -15.365 6.361 1.00 0.00 C ATOM 599 OG SER A 41 1.104 -15.751 5.112 1.00 0.00 O ATOM 0 H SER A 41 -0.741 -14.067 5.865 1.00 0.00 H new ATOM 0 HA SER A 41 1.484 -13.776 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.740 -15.348 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.390 -16.102 7.120 1.00 0.00 H new ATOM 0 HG SER A 41 1.448 -16.634 4.863 1.00 0.00 H new ATOM 605 N CYS A 42 0.864 -11.935 5.524 1.00 0.00 N ATOM 606 CA CYS A 42 1.271 -10.849 4.641 1.00 0.00 C ATOM 607 C CYS A 42 1.130 -9.499 5.337 1.00 0.00 C ATOM 608 O CYS A 42 1.889 -8.567 5.068 1.00 0.00 O ATOM 609 CB CYS A 42 0.433 -10.864 3.361 1.00 0.00 C ATOM 610 SG CYS A 42 0.884 -12.187 2.192 1.00 0.00 S ATOM 0 H CYS A 42 -0.098 -11.870 5.857 1.00 0.00 H new ATOM 0 HA CYS A 42 2.320 -10.998 4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.618 -10.973 3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.536 -9.901 2.861 1.00 0.00 H new ATOM 0 HG CYS A 42 0.309 -11.969 1.047 1.00 0.00 H new ATOM 615 N PHE A 43 0.154 -9.401 6.234 1.00 0.00 N ATOM 616 CA PHE A 43 -0.087 -8.165 6.969 1.00 0.00 C ATOM 617 C PHE A 43 0.997 -7.936 8.019 1.00 0.00 C ATOM 618 O PHE A 43 0.822 -8.268 9.192 1.00 0.00 O ATOM 619 CB PHE A 43 -1.462 -8.205 7.640 1.00 0.00 C ATOM 620 CG PHE A 43 -1.933 -6.863 8.122 1.00 0.00 C ATOM 621 CD1 PHE A 43 -1.887 -5.758 7.289 1.00 0.00 C ATOM 622 CD2 PHE A 43 -2.422 -6.708 9.409 1.00 0.00 C ATOM 623 CE1 PHE A 43 -2.320 -4.521 7.730 1.00 0.00 C ATOM 624 CE2 PHE A 43 -2.858 -5.474 9.855 1.00 0.00 C ATOM 625 CZ PHE A 43 -2.805 -4.379 9.015 1.00 0.00 C ATOM 0 H PHE A 43 -0.482 -10.163 6.469 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.061 -7.339 6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.190 -8.605 6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.425 -8.893 8.485 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.508 -5.863 6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.463 -7.560 10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.279 -3.667 7.070 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.240 -5.366 10.860 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.142 -3.414 9.362 1.00 0.00 H new ATOM 635 N LYS A 44 2.118 -7.367 7.589 1.00 0.00 N ATOM 636 CA LYS A 44 3.231 -7.092 8.489 1.00 0.00 C ATOM 637 C LYS A 44 3.789 -5.692 8.253 1.00 0.00 C ATOM 638 O LYS A 44 3.529 -5.075 7.220 1.00 0.00 O ATOM 639 CB LYS A 44 4.338 -8.132 8.298 1.00 0.00 C ATOM 640 CG LYS A 44 4.457 -8.637 6.870 1.00 0.00 C ATOM 641 CD LYS A 44 4.972 -7.554 5.937 1.00 0.00 C ATOM 642 CE LYS A 44 5.234 -8.099 4.541 1.00 0.00 C ATOM 643 NZ LYS A 44 4.018 -8.034 3.683 1.00 0.00 N ATOM 0 H LYS A 44 2.280 -7.087 6.622 1.00 0.00 H new ATOM 0 HA LYS A 44 2.860 -7.149 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.290 -7.697 8.601 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.149 -8.978 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.130 -9.494 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.484 -8.984 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.245 -6.744 5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.891 -7.130 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.039 -7.531 4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.573 -9.132 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.218 -8.476 2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.238 -8.540 4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.748 -7.040 3.538 1.00 0.00 H new ATOM 657 N CYS A 45 4.558 -5.196 9.217 1.00 0.00 N ATOM 658 CA CYS A 45 5.153 -3.870 9.115 1.00 0.00 C ATOM 659 C CYS A 45 5.737 -3.642 7.723 1.00 0.00 C ATOM 660 O CYS A 45 5.909 -4.583 6.950 1.00 0.00 O ATOM 661 CB CYS A 45 6.245 -3.695 10.172 1.00 0.00 C ATOM 662 SG CYS A 45 6.775 -1.969 10.414 1.00 0.00 S ATOM 0 H CYS A 45 4.783 -5.694 10.078 1.00 0.00 H new ATOM 0 HA CYS A 45 4.369 -3.133 9.287 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.883 -4.089 11.122 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.111 -4.293 9.887 1.00 0.00 H new ATOM 0 HG CYS A 45 8.002 -1.948 10.842 1.00 0.00 H new ATOM 667 N GLN A 46 6.039 -2.385 7.413 1.00 0.00 N ATOM 668 CA GLN A 46 6.603 -2.033 6.115 1.00 0.00 C ATOM 669 C GLN A 46 8.092 -1.727 6.233 1.00 0.00 C ATOM 670 O GLN A 46 8.802 -1.642 5.230 1.00 0.00 O ATOM 671 CB GLN A 46 5.868 -0.828 5.526 1.00 0.00 C ATOM 672 CG GLN A 46 6.432 -0.364 4.193 1.00 0.00 C ATOM 673 CD GLN A 46 6.381 -1.443 3.129 1.00 0.00 C ATOM 674 OE1 GLN A 46 7.412 -1.863 2.605 1.00 0.00 O ATOM 675 NE2 GLN A 46 5.176 -1.898 2.805 1.00 0.00 N ATOM 0 H GLN A 46 5.903 -1.594 8.042 1.00 0.00 H new ATOM 0 HA GLN A 46 6.478 -2.887 5.449 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.816 -1.082 5.397 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.912 -0.003 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.873 0.506 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.465 -0.044 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.348 -1.521 3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.079 -2.625 2.096 1.00 0.00 H new ATOM 684 N THR A 47 8.562 -1.562 7.466 1.00 0.00 N ATOM 685 CA THR A 47 9.966 -1.264 7.716 1.00 0.00 C ATOM 686 C THR A 47 10.706 -2.493 8.231 1.00 0.00 C ATOM 687 O THR A 47 11.823 -2.784 7.801 1.00 0.00 O ATOM 688 CB THR A 47 10.125 -0.119 8.734 1.00 0.00 C ATOM 689 OG1 THR A 47 9.632 1.104 8.177 1.00 0.00 O ATOM 690 CG2 THR A 47 11.583 0.051 9.134 1.00 0.00 C ATOM 0 H THR A 47 7.989 -1.630 8.307 1.00 0.00 H new ATOM 0 HA THR A 47 10.398 -0.956 6.764 1.00 0.00 H new ATOM 0 HB THR A 47 9.548 -0.371 9.624 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.009 1.863 8.669 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.670 0.865 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.947 -0.872 9.585 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.178 0.282 8.251 1.00 0.00 H new ATOM 698 N CYS A 48 10.077 -3.213 9.154 1.00 0.00 N ATOM 699 CA CYS A 48 10.676 -4.412 9.728 1.00 0.00 C ATOM 700 C CYS A 48 10.036 -5.670 9.148 1.00 0.00 C ATOM 701 O CYS A 48 10.616 -6.755 9.202 1.00 0.00 O ATOM 702 CB CYS A 48 10.523 -4.405 11.251 1.00 0.00 C ATOM 703 SG CYS A 48 8.802 -4.565 11.826 1.00 0.00 S ATOM 0 H CYS A 48 9.152 -2.987 9.520 1.00 0.00 H new ATOM 0 HA CYS A 48 11.736 -4.415 9.476 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.112 -5.222 11.668 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.941 -3.478 11.643 1.00 0.00 H new ATOM 0 HG CYS A 48 8.784 -5.167 12.978 1.00 0.00 H new ATOM 708 N SER A 49 8.838 -5.517 8.593 1.00 0.00 N ATOM 709 CA SER A 49 8.118 -6.641 8.005 1.00 0.00 C ATOM 710 C SER A 49 7.750 -7.667 9.072 1.00 0.00 C ATOM 711 O SER A 49 7.993 -8.863 8.909 1.00 0.00 O ATOM 712 CB SER A 49 8.964 -7.301 6.915 1.00 0.00 C ATOM 713 OG SER A 49 9.842 -8.267 7.466 1.00 0.00 O ATOM 0 H SER A 49 8.345 -4.626 8.538 1.00 0.00 H new ATOM 0 HA SER A 49 7.199 -6.260 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.312 -7.774 6.181 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.540 -6.541 6.387 1.00 0.00 H new ATOM 0 HG SER A 49 10.456 -7.831 8.093 1.00 0.00 H new ATOM 719 N VAL A 50 7.162 -7.191 10.165 1.00 0.00 N ATOM 720 CA VAL A 50 6.759 -8.067 11.259 1.00 0.00 C ATOM 721 C VAL A 50 5.245 -8.236 11.298 1.00 0.00 C ATOM 722 O VAL A 50 4.499 -7.256 11.270 1.00 0.00 O ATOM 723 CB VAL A 50 7.239 -7.523 12.618 1.00 0.00 C ATOM 724 CG1 VAL A 50 6.367 -6.360 13.066 1.00 0.00 C ATOM 725 CG2 VAL A 50 7.244 -8.630 13.662 1.00 0.00 C ATOM 0 H VAL A 50 6.954 -6.204 10.316 1.00 0.00 H new ATOM 0 HA VAL A 50 7.225 -9.036 11.078 1.00 0.00 H new ATOM 0 HB VAL A 50 8.259 -7.157 12.504 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.721 -5.989 14.028 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.419 -5.560 12.327 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.335 -6.696 13.165 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.586 -8.229 14.616 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.235 -9.027 13.776 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.915 -9.428 13.343 1.00 0.00 H new ATOM 735 N ILE A 51 4.796 -9.485 11.363 1.00 0.00 N ATOM 736 CA ILE A 51 3.370 -9.783 11.407 1.00 0.00 C ATOM 737 C ILE A 51 2.648 -8.868 12.391 1.00 0.00 C ATOM 738 O ILE A 51 3.137 -8.613 13.492 1.00 0.00 O ATOM 739 CB ILE A 51 3.113 -11.249 11.802 1.00 0.00 C ATOM 740 CG1 ILE A 51 3.762 -12.194 10.789 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.618 -11.516 11.903 1.00 0.00 C ATOM 742 CD1 ILE A 51 3.269 -11.993 9.373 1.00 0.00 C ATOM 0 H ILE A 51 5.400 -10.307 11.386 1.00 0.00 H new ATOM 0 HA ILE A 51 2.980 -9.613 10.403 1.00 0.00 H new ATOM 0 HB ILE A 51 3.561 -11.431 12.779 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.842 -12.052 10.812 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.569 -13.224 11.090 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.452 -12.556 12.183 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.182 -10.863 12.659 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.148 -11.320 10.939 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.772 -12.696 8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.193 -12.164 9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.486 -10.974 9.053 1.00 0.00 H new ATOM 754 N LEU A 52 1.481 -8.379 11.988 1.00 0.00 N ATOM 755 CA LEU A 52 0.688 -7.494 12.835 1.00 0.00 C ATOM 756 C LEU A 52 -0.716 -8.052 13.043 1.00 0.00 C ATOM 757 O LEU A 52 -1.538 -8.054 12.125 1.00 0.00 O ATOM 758 CB LEU A 52 0.608 -6.098 12.213 1.00 0.00 C ATOM 759 CG LEU A 52 1.943 -5.443 11.860 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.739 -4.325 10.849 1.00 0.00 C ATOM 761 CD2 LEU A 52 2.625 -4.913 13.113 1.00 0.00 C ATOM 0 H LEU A 52 1.062 -8.580 11.080 1.00 0.00 H new ATOM 0 HA LEU A 52 1.178 -7.425 13.806 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.006 -6.160 11.307 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.077 -5.444 12.905 1.00 0.00 H new ATOM 0 HG LEU A 52 2.588 -6.198 11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.701 -3.871 10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.294 -4.732 9.941 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.076 -3.570 11.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.574 -4.450 12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.983 -4.173 13.591 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.807 -5.736 13.804 1.00 0.00 H new ATOM 773 N THR A 53 -0.986 -8.524 14.256 1.00 0.00 N ATOM 774 CA THR A 53 -2.291 -9.083 14.585 1.00 0.00 C ATOM 775 C THR A 53 -2.811 -8.525 15.905 1.00 0.00 C ATOM 776 O THR A 53 -3.989 -8.193 16.028 1.00 0.00 O ATOM 777 CB THR A 53 -2.236 -10.620 14.677 1.00 0.00 C ATOM 778 OG1 THR A 53 -3.414 -11.115 15.324 1.00 0.00 O ATOM 779 CG2 THR A 53 -1.002 -11.073 15.443 1.00 0.00 C ATOM 0 H THR A 53 -0.318 -8.530 15.027 1.00 0.00 H new ATOM 0 HA THR A 53 -2.969 -8.798 13.781 1.00 0.00 H new ATOM 0 HB THR A 53 -2.183 -11.020 13.665 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.372 -12.093 15.377 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.985 -12.162 15.495 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.106 -10.720 14.932 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.029 -10.662 16.452 1.00 0.00 H new ATOM 787 N GLY A 54 -1.925 -8.425 16.891 1.00 0.00 N ATOM 788 CA GLY A 54 -2.314 -7.905 18.189 1.00 0.00 C ATOM 789 C GLY A 54 -2.452 -6.396 18.192 1.00 0.00 C ATOM 790 O GLY A 54 -3.534 -5.866 18.443 1.00 0.00 O ATOM 0 H GLY A 54 -0.944 -8.695 16.814 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.261 -8.354 18.488 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.573 -8.200 18.932 1.00 0.00 H new ATOM 794 N GLU A 55 -1.353 -5.702 17.913 1.00 0.00 N ATOM 795 CA GLU A 55 -1.356 -4.244 17.888 1.00 0.00 C ATOM 796 C GLU A 55 -0.510 -3.718 16.732 1.00 0.00 C ATOM 797 O GLU A 55 0.473 -4.343 16.334 1.00 0.00 O ATOM 798 CB GLU A 55 -0.831 -3.687 19.213 1.00 0.00 C ATOM 799 CG GLU A 55 -1.734 -3.985 20.398 1.00 0.00 C ATOM 800 CD GLU A 55 -1.168 -3.468 21.707 1.00 0.00 C ATOM 801 OE1 GLU A 55 -0.057 -3.897 22.083 1.00 0.00 O ATOM 802 OE2 GLU A 55 -1.836 -2.635 22.354 1.00 0.00 O ATOM 0 H GLU A 55 -0.450 -6.126 17.701 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.384 -3.911 17.745 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.158 -4.103 19.406 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.710 -2.608 19.121 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.712 -3.536 20.227 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.886 -5.062 20.472 1.00 0.00 H new ATOM 809 N TYR A 56 -0.901 -2.567 16.197 1.00 0.00 N ATOM 810 CA TYR A 56 -0.181 -1.957 15.085 1.00 0.00 C ATOM 811 C TYR A 56 -0.651 -0.525 14.851 1.00 0.00 C ATOM 812 O TYR A 56 -1.638 -0.080 15.439 1.00 0.00 O ATOM 813 CB TYR A 56 -0.374 -2.783 13.812 1.00 0.00 C ATOM 814 CG TYR A 56 -1.676 -2.499 13.097 1.00 0.00 C ATOM 815 CD1 TYR A 56 -2.837 -3.187 13.428 1.00 0.00 C ATOM 816 CD2 TYR A 56 -1.745 -1.543 12.091 1.00 0.00 C ATOM 817 CE1 TYR A 56 -4.029 -2.931 12.778 1.00 0.00 C ATOM 818 CE2 TYR A 56 -2.933 -1.280 11.436 1.00 0.00 C ATOM 819 CZ TYR A 56 -4.072 -1.977 11.783 1.00 0.00 C ATOM 820 OH TYR A 56 -5.256 -1.718 11.132 1.00 0.00 O ATOM 0 H TYR A 56 -1.713 -2.037 16.515 1.00 0.00 H new ATOM 0 HA TYR A 56 0.879 -1.935 15.340 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.455 -2.586 13.132 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.332 -3.842 14.066 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.807 -3.935 14.207 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.855 -0.996 11.816 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.922 -3.475 13.048 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.970 -0.533 10.657 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.114 -1.019 10.460 1.00 0.00 H new ATOM 830 N ILE A 57 0.062 0.192 13.989 1.00 0.00 N ATOM 831 CA ILE A 57 -0.282 1.573 13.676 1.00 0.00 C ATOM 832 C ILE A 57 -0.148 1.848 12.182 1.00 0.00 C ATOM 833 O ILE A 57 0.875 1.535 11.572 1.00 0.00 O ATOM 834 CB ILE A 57 0.606 2.564 14.450 1.00 0.00 C ATOM 835 CG1 ILE A 57 0.900 2.030 15.854 1.00 0.00 C ATOM 836 CG2 ILE A 57 -0.063 3.928 14.526 1.00 0.00 C ATOM 837 CD1 ILE A 57 2.106 2.671 16.504 1.00 0.00 C ATOM 0 H ILE A 57 0.882 -0.161 13.495 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.320 1.715 13.978 1.00 0.00 H new ATOM 0 HB ILE A 57 1.551 2.674 13.918 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.027 2.193 16.486 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.057 0.953 15.799 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.577 4.617 15.076 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.226 4.310 13.518 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -1.021 3.835 15.038 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.254 2.244 17.496 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.990 2.486 15.893 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.944 3.745 16.592 1.00 0.00 H new ATOM 849 N SER A 58 -1.187 2.436 11.598 1.00 0.00 N ATOM 850 CA SER A 58 -1.186 2.752 10.174 1.00 0.00 C ATOM 851 C SER A 58 -0.743 4.193 9.938 1.00 0.00 C ATOM 852 O SER A 58 -1.234 5.120 10.582 1.00 0.00 O ATOM 853 CB SER A 58 -2.578 2.531 9.580 1.00 0.00 C ATOM 854 OG SER A 58 -2.689 3.133 8.302 1.00 0.00 O ATOM 0 H SER A 58 -2.040 2.703 12.089 1.00 0.00 H new ATOM 0 HA SER A 58 -0.478 2.087 9.680 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.777 1.462 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.332 2.947 10.248 1.00 0.00 H new ATOM 0 HG SER A 58 -3.587 2.976 7.943 1.00 0.00 H new ATOM 860 N LYS A 59 0.191 4.373 9.009 1.00 0.00 N ATOM 861 CA LYS A 59 0.701 5.700 8.684 1.00 0.00 C ATOM 862 C LYS A 59 0.670 5.941 7.179 1.00 0.00 C ATOM 863 O LYS A 59 1.107 5.097 6.396 1.00 0.00 O ATOM 864 CB LYS A 59 2.130 5.861 9.208 1.00 0.00 C ATOM 865 CG LYS A 59 2.468 7.282 9.625 1.00 0.00 C ATOM 866 CD LYS A 59 2.744 8.166 8.420 1.00 0.00 C ATOM 867 CE LYS A 59 2.535 9.636 8.748 1.00 0.00 C ATOM 868 NZ LYS A 59 2.598 10.491 7.531 1.00 0.00 N ATOM 0 H LYS A 59 0.610 3.616 8.468 1.00 0.00 H new ATOM 0 HA LYS A 59 0.058 6.437 9.165 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.272 5.197 10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.830 5.542 8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.642 7.699 10.202 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.341 7.273 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.768 8.010 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.088 7.878 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.568 9.766 9.233 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.294 9.961 9.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.587 11.493 7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.474 10.287 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.778 10.291 6.924 1.00 0.00 H new ATOM 882 N ASP A 60 0.152 7.098 6.780 1.00 0.00 N ATOM 883 CA ASP A 60 0.066 7.452 5.368 1.00 0.00 C ATOM 884 C ASP A 60 -0.434 6.271 4.542 1.00 0.00 C ATOM 885 O ASP A 60 -0.064 6.113 3.379 1.00 0.00 O ATOM 886 CB ASP A 60 1.431 7.910 4.851 1.00 0.00 C ATOM 887 CG ASP A 60 1.340 8.590 3.500 1.00 0.00 C ATOM 888 OD1 ASP A 60 0.276 9.171 3.199 1.00 0.00 O ATOM 889 OD2 ASP A 60 2.332 8.541 2.742 1.00 0.00 O ATOM 0 H ASP A 60 -0.215 7.807 7.415 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.646 8.271 5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.877 8.596 5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.096 7.049 4.777 1.00 0.00 H new ATOM 894 N GLY A 61 -1.277 5.443 5.152 1.00 0.00 N ATOM 895 CA GLY A 61 -1.813 4.287 4.458 1.00 0.00 C ATOM 896 C GLY A 61 -0.831 3.133 4.408 1.00 0.00 C ATOM 897 O GLY A 61 -0.822 2.357 3.453 1.00 0.00 O ATOM 0 H GLY A 61 -1.598 5.552 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.727 3.961 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.086 4.572 3.442 1.00 0.00 H new ATOM 901 N VAL A 62 0.000 3.021 5.439 1.00 0.00 N ATOM 902 CA VAL A 62 0.992 1.954 5.509 1.00 0.00 C ATOM 903 C VAL A 62 1.042 1.341 6.904 1.00 0.00 C ATOM 904 O VAL A 62 1.150 2.039 7.912 1.00 0.00 O ATOM 905 CB VAL A 62 2.395 2.468 5.135 1.00 0.00 C ATOM 906 CG1 VAL A 62 3.374 1.309 5.019 1.00 0.00 C ATOM 907 CG2 VAL A 62 2.343 3.264 3.840 1.00 0.00 C ATOM 0 H VAL A 62 0.006 3.656 6.237 1.00 0.00 H new ATOM 0 HA VAL A 62 0.689 1.192 4.791 1.00 0.00 H new ATOM 0 HB VAL A 62 2.744 3.130 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.360 1.691 4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.432 0.785 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.032 0.620 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.343 3.619 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.974 2.627 3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.675 4.117 3.964 1.00 0.00 H new ATOM 917 N PRO A 63 0.963 0.004 6.966 1.00 0.00 N ATOM 918 CA PRO A 63 0.998 -0.734 8.232 1.00 0.00 C ATOM 919 C PRO A 63 2.372 -0.687 8.892 1.00 0.00 C ATOM 920 O PRO A 63 3.386 -0.985 8.259 1.00 0.00 O ATOM 921 CB PRO A 63 0.652 -2.166 7.818 1.00 0.00 C ATOM 922 CG PRO A 63 1.063 -2.257 6.389 1.00 0.00 C ATOM 923 CD PRO A 63 0.833 -0.891 5.804 1.00 0.00 C ATOM 0 HA PRO A 63 0.314 -0.312 8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.184 -2.894 8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.413 -2.366 7.937 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.110 -2.548 6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.478 -3.011 5.862 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.566 -0.656 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.152 -0.812 5.344 1.00 0.00 H new ATOM 931 N TYR A 64 2.399 -0.312 10.165 1.00 0.00 N ATOM 932 CA TYR A 64 3.650 -0.225 10.910 1.00 0.00 C ATOM 933 C TYR A 64 3.480 -0.769 12.325 1.00 0.00 C ATOM 934 O TYR A 64 2.371 -0.811 12.859 1.00 0.00 O ATOM 935 CB TYR A 64 4.136 1.224 10.964 1.00 0.00 C ATOM 936 CG TYR A 64 4.622 1.750 9.632 1.00 0.00 C ATOM 937 CD1 TYR A 64 5.755 1.221 9.026 1.00 0.00 C ATOM 938 CD2 TYR A 64 3.948 2.774 8.979 1.00 0.00 C ATOM 939 CE1 TYR A 64 6.203 1.699 7.810 1.00 0.00 C ATOM 940 CE2 TYR A 64 4.388 3.257 7.762 1.00 0.00 C ATOM 941 CZ TYR A 64 5.516 2.717 7.182 1.00 0.00 C ATOM 942 OH TYR A 64 5.959 3.194 5.969 1.00 0.00 O ATOM 0 H TYR A 64 1.569 -0.063 10.703 1.00 0.00 H new ATOM 0 HA TYR A 64 4.394 -0.832 10.394 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.324 1.858 11.321 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.944 1.301 11.692 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.294 0.423 9.514 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.064 3.200 9.431 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.086 1.278 7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.851 4.053 7.268 1.00 0.00 H new ATOM 0 HH TYR A 64 5.363 3.909 5.661 1.00 0.00 H new ATOM 952 N CYS A 65 4.588 -1.184 12.929 1.00 0.00 N ATOM 953 CA CYS A 65 4.565 -1.726 14.283 1.00 0.00 C ATOM 954 C CYS A 65 4.930 -0.653 15.304 1.00 0.00 C ATOM 955 O CYS A 65 5.395 0.428 14.944 1.00 0.00 O ATOM 956 CB CYS A 65 5.533 -2.906 14.399 1.00 0.00 C ATOM 957 SG CYS A 65 7.289 -2.445 14.246 1.00 0.00 S ATOM 0 H CYS A 65 5.514 -1.155 12.502 1.00 0.00 H new ATOM 0 HA CYS A 65 3.553 -2.073 14.492 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.379 -3.395 15.361 1.00 0.00 H new ATOM 0 HB3 CYS A 65 5.292 -3.637 13.627 1.00 0.00 H new ATOM 0 HG CYS A 65 7.863 -3.210 13.366 1.00 0.00 H new ATOM 962 N GLU A 66 4.714 -0.960 16.580 1.00 0.00 N ATOM 963 CA GLU A 66 5.019 -0.021 17.653 1.00 0.00 C ATOM 964 C GLU A 66 6.521 0.236 17.740 1.00 0.00 C ATOM 965 O GLU A 66 6.973 1.076 18.518 1.00 0.00 O ATOM 966 CB GLU A 66 4.503 -0.556 18.991 1.00 0.00 C ATOM 967 CG GLU A 66 3.033 -0.940 18.967 1.00 0.00 C ATOM 968 CD GLU A 66 2.366 -0.779 20.319 1.00 0.00 C ATOM 969 OE1 GLU A 66 2.604 0.256 20.978 1.00 0.00 O ATOM 970 OE2 GLU A 66 1.607 -1.686 20.719 1.00 0.00 O ATOM 0 H GLU A 66 4.329 -1.851 16.895 1.00 0.00 H new ATOM 0 HA GLU A 66 4.519 0.922 17.430 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.093 -1.427 19.276 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.660 0.201 19.760 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.512 -0.324 18.234 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.937 -1.975 18.640 1.00 0.00 H new ATOM 977 N SER A 67 7.288 -0.494 16.937 1.00 0.00 N ATOM 978 CA SER A 67 8.739 -0.349 16.926 1.00 0.00 C ATOM 979 C SER A 67 9.169 0.733 15.941 1.00 0.00 C ATOM 980 O SER A 67 9.619 1.808 16.340 1.00 0.00 O ATOM 981 CB SER A 67 9.403 -1.679 16.563 1.00 0.00 C ATOM 982 OG SER A 67 10.698 -1.774 17.130 1.00 0.00 O ATOM 0 H SER A 67 6.929 -1.192 16.285 1.00 0.00 H new ATOM 0 HA SER A 67 9.058 -0.053 17.926 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.786 -2.505 16.917 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.470 -1.772 15.479 1.00 0.00 H new ATOM 0 HG SER A 67 11.100 -2.633 16.885 1.00 0.00 H new ATOM 988 N ASP A 68 9.028 0.441 14.653 1.00 0.00 N ATOM 989 CA ASP A 68 9.400 1.389 13.609 1.00 0.00 C ATOM 990 C ASP A 68 8.593 2.678 13.732 1.00 0.00 C ATOM 991 O ASP A 68 9.157 3.767 13.839 1.00 0.00 O ATOM 992 CB ASP A 68 9.186 0.768 12.227 1.00 0.00 C ATOM 993 CG ASP A 68 10.193 -0.322 11.920 1.00 0.00 C ATOM 994 OD1 ASP A 68 11.406 -0.071 12.076 1.00 0.00 O ATOM 995 OD2 ASP A 68 9.769 -1.428 11.524 1.00 0.00 O ATOM 0 H ASP A 68 8.659 -0.444 14.307 1.00 0.00 H new ATOM 0 HA ASP A 68 10.456 1.630 13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.179 0.355 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.255 1.547 11.467 1.00 0.00 H new ATOM 1000 N TYR A 69 7.272 2.546 13.714 1.00 0.00 N ATOM 1001 CA TYR A 69 6.387 3.701 13.819 1.00 0.00 C ATOM 1002 C TYR A 69 6.882 4.669 14.889 1.00 0.00 C ATOM 1003 O TYR A 69 7.135 5.842 14.612 1.00 0.00 O ATOM 1004 CB TYR A 69 4.962 3.249 14.143 1.00 0.00 C ATOM 1005 CG TYR A 69 3.944 4.366 14.078 1.00 0.00 C ATOM 1006 CD1 TYR A 69 3.884 5.337 15.070 1.00 0.00 C ATOM 1007 CD2 TYR A 69 3.043 4.449 13.024 1.00 0.00 C ATOM 1008 CE1 TYR A 69 2.955 6.358 15.015 1.00 0.00 C ATOM 1009 CE2 TYR A 69 2.111 5.468 12.960 1.00 0.00 C ATOM 1010 CZ TYR A 69 2.071 6.419 13.958 1.00 0.00 C ATOM 1011 OH TYR A 69 1.145 7.435 13.899 1.00 0.00 O ATOM 0 H TYR A 69 6.790 1.651 13.628 1.00 0.00 H new ATOM 0 HA TYR A 69 6.387 4.217 12.859 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.672 2.463 13.446 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.946 2.812 15.141 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.576 5.293 15.898 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.071 3.705 12.242 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.921 7.104 15.795 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.418 5.519 12.133 1.00 0.00 H new ATOM 0 HH TYR A 69 0.599 7.334 13.091 1.00 0.00 H new ATOM 1021 N HIS A 70 7.017 4.170 16.114 1.00 0.00 N ATOM 1022 CA HIS A 70 7.482 4.990 17.227 1.00 0.00 C ATOM 1023 C HIS A 70 8.927 5.429 17.011 1.00 0.00 C ATOM 1024 O HIS A 70 9.406 6.360 17.658 1.00 0.00 O ATOM 1025 CB HIS A 70 7.362 4.218 18.541 1.00 0.00 C ATOM 1026 CG HIS A 70 6.005 4.307 19.167 1.00 0.00 C ATOM 1027 ND1 HIS A 70 5.614 5.358 19.970 1.00 0.00 N ATOM 1028 CD2 HIS A 70 4.943 3.470 19.102 1.00 0.00 C ATOM 1029 CE1 HIS A 70 4.371 5.162 20.373 1.00 0.00 C ATOM 1030 NE2 HIS A 70 3.941 4.024 19.860 1.00 0.00 N ATOM 0 H HIS A 70 6.811 3.202 16.361 1.00 0.00 H new ATOM 0 HA HIS A 70 6.854 5.880 17.279 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.601 3.170 18.360 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.103 4.597 19.245 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.893 2.540 18.556 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.803 5.821 21.013 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.015 3.622 20.003 1.00 0.00 H new ATOM 1039 N ALA A 71 9.616 4.752 16.098 1.00 0.00 N ATOM 1040 CA ALA A 71 11.006 5.074 15.796 1.00 0.00 C ATOM 1041 C ALA A 71 11.103 6.035 14.617 1.00 0.00 C ATOM 1042 O ALA A 71 12.142 6.658 14.397 1.00 0.00 O ATOM 1043 CB ALA A 71 11.791 3.803 15.510 1.00 0.00 C ATOM 0 H ALA A 71 9.235 3.977 15.555 1.00 0.00 H new ATOM 0 HA ALA A 71 11.437 5.566 16.668 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.827 4.058 15.286 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.758 3.151 16.383 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.351 3.288 14.656 1.00 0.00 H new ATOM 1049 N GLN A 72 10.016 6.150 13.861 1.00 0.00 N ATOM 1050 CA GLN A 72 9.981 7.035 12.703 1.00 0.00 C ATOM 1051 C GLN A 72 9.347 8.375 13.061 1.00 0.00 C ATOM 1052 O GLN A 72 9.996 9.419 12.991 1.00 0.00 O ATOM 1053 CB GLN A 72 9.206 6.380 11.558 1.00 0.00 C ATOM 1054 CG GLN A 72 10.087 5.609 10.589 1.00 0.00 C ATOM 1055 CD GLN A 72 9.292 4.697 9.676 1.00 0.00 C ATOM 1056 OE1 GLN A 72 9.088 5.001 8.500 1.00 0.00 O ATOM 1057 NE2 GLN A 72 8.839 3.571 10.213 1.00 0.00 N ATOM 0 H GLN A 72 9.148 5.641 14.030 1.00 0.00 H new ATOM 0 HA GLN A 72 11.007 7.214 12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.461 5.703 11.976 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.665 7.151 11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.658 6.313 9.984 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.807 5.015 11.152 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.032 3.359 11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.298 2.917 9.647 1.00 0.00 H new ATOM 1066 N PHE A 73 8.075 8.339 13.444 1.00 0.00 N ATOM 1067 CA PHE A 73 7.353 9.551 13.812 1.00 0.00 C ATOM 1068 C PHE A 73 7.271 9.697 15.329 1.00 0.00 C ATOM 1069 O PHE A 73 7.035 10.787 15.847 1.00 0.00 O ATOM 1070 CB PHE A 73 5.945 9.533 13.214 1.00 0.00 C ATOM 1071 CG PHE A 73 5.916 9.151 11.761 1.00 0.00 C ATOM 1072 CD1 PHE A 73 6.093 7.832 11.375 1.00 0.00 C ATOM 1073 CD2 PHE A 73 5.711 10.110 10.783 1.00 0.00 C ATOM 1074 CE1 PHE A 73 6.067 7.478 10.039 1.00 0.00 C ATOM 1075 CE2 PHE A 73 5.684 9.762 9.446 1.00 0.00 C ATOM 1076 CZ PHE A 73 5.861 8.444 9.073 1.00 0.00 C ATOM 0 H PHE A 73 7.523 7.484 13.508 1.00 0.00 H new ATOM 0 HA PHE A 73 7.900 10.405 13.412 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.328 8.833 13.778 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.496 10.519 13.331 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.253 7.072 12.126 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.571 11.142 11.069 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.208 6.447 9.750 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.525 10.520 8.693 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.838 8.169 8.029 1.00 0.00 H new ATOM 1086 N GLY A 74 7.469 8.588 16.035 1.00 0.00 N ATOM 1087 CA GLY A 74 7.413 8.612 17.485 1.00 0.00 C ATOM 1088 C GLY A 74 8.414 9.578 18.088 1.00 0.00 C ATOM 1089 O GLY A 74 8.073 10.366 18.969 1.00 0.00 O ATOM 0 H GLY A 74 7.667 7.674 15.629 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.408 8.890 17.802 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.603 7.610 17.870 1.00 0.00 H new