USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 398 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 44 CYS SG : rot 151:sc= 1.59 USER MOD Set 1.2: A 47 CYS SG : rot -50:sc= -0.0244 USER MOD Set 1.3: A 65 CYS SG : rot -132:sc= -3.45! USER MOD Set 1.4: A 68 CYS SG : rot 154:sc= 1.21 USER MOD Set 2.1: A 18 CYS SG : rot 20:sc= -1.27! USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.0376 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -3.57! C(o=-5.3!,f=-7.9!) USER MOD Set 2.4: A 41 CYS SG : rot -172:sc= -0.463 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 1:sc= -0.0585! USER MOD Single : A 32 TYR OH : rot -150:sc= -0.7 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 45 THR OG1 : rot -130:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.054) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 55 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.7) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 58 SER OG : rot 100:sc= -2.76! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 4.006 11.372 -2.274 1.00 0.00 N ATOM 194 CA PRO A 16 3.065 10.567 -1.491 1.00 0.00 C ATOM 195 C PRO A 16 3.737 9.875 -0.310 1.00 0.00 C ATOM 196 O PRO A 16 4.963 9.867 -0.199 1.00 0.00 O ATOM 197 CB PRO A 16 2.558 9.533 -2.499 1.00 0.00 C ATOM 198 CG PRO A 16 3.648 9.422 -3.508 1.00 0.00 C ATOM 199 CD PRO A 16 4.267 10.789 -3.601 1.00 0.00 C ATOM 0 HA PRO A 16 2.275 11.176 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.364 8.574 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.624 9.854 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.386 8.679 -3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.255 9.105 -4.474 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.335 10.733 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.815 11.382 -4.396 1.00 0.00 H new ATOM 207 N ARG A 17 2.927 9.293 0.569 1.00 0.00 N ATOM 208 CA ARG A 17 3.445 8.599 1.742 1.00 0.00 C ATOM 209 C ARG A 17 2.629 7.343 2.034 1.00 0.00 C ATOM 210 O ARG A 17 1.403 7.346 1.921 1.00 0.00 O ATOM 211 CB ARG A 17 3.428 9.526 2.959 1.00 0.00 C ATOM 212 CG ARG A 17 4.170 10.834 2.738 1.00 0.00 C ATOM 213 CD ARG A 17 4.317 11.616 4.034 1.00 0.00 C ATOM 214 NE ARG A 17 4.883 12.944 3.811 1.00 0.00 N ATOM 215 CZ ARG A 17 4.880 13.907 4.726 1.00 0.00 C ATOM 216 NH1 ARG A 17 4.344 13.691 5.919 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.414 15.089 4.448 1.00 0.00 N ATOM 0 H ARG A 17 1.910 9.288 0.491 1.00 0.00 H new ATOM 0 HA ARG A 17 4.473 8.304 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.394 9.745 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.871 9.005 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.156 10.628 2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.635 11.438 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.342 11.713 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.955 11.061 4.722 1.00 0.00 H new ATOM 0 HE ARG A 17 5.303 13.143 2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.932 12.783 6.136 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.343 14.432 6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.827 15.259 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.411 15.828 5.151 1.00 0.00 H new ATOM 231 N CYS A 18 3.318 6.270 2.409 1.00 0.00 N ATOM 232 CA CYS A 18 2.659 5.007 2.717 1.00 0.00 C ATOM 233 C CYS A 18 1.380 5.241 3.515 1.00 0.00 C ATOM 234 O CYS A 18 1.398 5.895 4.558 1.00 0.00 O ATOM 235 CB CYS A 18 3.603 4.093 3.501 1.00 0.00 C ATOM 236 SG CYS A 18 2.909 2.450 3.871 1.00 0.00 S ATOM 0 H CYS A 18 4.333 6.251 2.507 1.00 0.00 H new ATOM 0 HA CYS A 18 2.396 4.524 1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.525 3.967 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.870 4.582 4.438 1.00 0.00 H new ATOM 0 HG CYS A 18 1.925 2.202 3.059 1.00 0.00 H new ATOM 241 N ALA A 19 0.272 4.701 3.018 1.00 0.00 N ATOM 242 CA ALA A 19 -1.016 4.849 3.686 1.00 0.00 C ATOM 243 C ALA A 19 -0.987 4.227 5.078 1.00 0.00 C ATOM 244 O ALA A 19 -1.844 4.513 5.914 1.00 0.00 O ATOM 245 CB ALA A 19 -2.120 4.221 2.848 1.00 0.00 C ATOM 0 H ALA A 19 0.240 4.157 2.156 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.220 5.914 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.076 4.339 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.164 4.713 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.912 3.160 2.708 1.00 0.00 H new ATOM 251 N ARG A 20 0.004 3.374 5.319 1.00 0.00 N ATOM 252 CA ARG A 20 0.142 2.709 6.610 1.00 0.00 C ATOM 253 C ARG A 20 1.021 3.528 7.551 1.00 0.00 C ATOM 254 O ARG A 20 0.578 3.954 8.618 1.00 0.00 O ATOM 255 CB ARG A 20 0.736 1.312 6.426 1.00 0.00 C ATOM 256 CG ARG A 20 1.111 0.633 7.734 1.00 0.00 C ATOM 257 CD ARG A 20 -0.105 0.027 8.416 1.00 0.00 C ATOM 258 NE ARG A 20 0.202 -0.448 9.762 1.00 0.00 N ATOM 259 CZ ARG A 20 -0.584 -1.270 10.448 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.717 -1.708 9.917 1.00 0.00 N ATOM 261 NH2 ARG A 20 -0.236 -1.658 11.669 1.00 0.00 N ATOM 0 H ARG A 20 0.722 3.127 4.638 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.850 2.619 7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.017 0.688 5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.623 1.383 5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.848 -0.147 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.580 1.358 8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.900 0.771 8.467 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.481 -0.802 7.816 1.00 0.00 H new ATOM 0 HE ARG A 20 1.067 -0.131 10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.988 -1.414 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.318 -2.339 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.636 -1.325 12.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.840 -2.289 12.195 1.00 0.00 H new ATOM 275 N CYS A 21 2.269 3.744 7.148 1.00 0.00 N ATOM 276 CA CYS A 21 3.211 4.510 7.955 1.00 0.00 C ATOM 277 C CYS A 21 3.121 5.998 7.630 1.00 0.00 C ATOM 278 O CYS A 21 3.183 6.844 8.523 1.00 0.00 O ATOM 279 CB CYS A 21 4.639 4.011 7.720 1.00 0.00 C ATOM 280 SG CYS A 21 4.761 2.218 7.424 1.00 0.00 S ATOM 0 H CYS A 21 2.651 3.399 6.267 1.00 0.00 H new ATOM 0 HA CYS A 21 2.951 4.369 9.004 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.061 4.539 6.865 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.249 4.268 8.586 1.00 0.00 H new ATOM 0 HG CYS A 21 6.005 1.893 7.234 1.00 0.00 H new ATOM 285 N SER A 22 2.973 6.310 6.347 1.00 0.00 N ATOM 286 CA SER A 22 2.878 7.696 5.903 1.00 0.00 C ATOM 287 C SER A 22 4.206 8.421 6.096 1.00 0.00 C ATOM 288 O SER A 22 4.257 9.503 6.681 1.00 0.00 O ATOM 289 CB SER A 22 1.771 8.423 6.668 1.00 0.00 C ATOM 290 OG SER A 22 1.315 9.557 5.951 1.00 0.00 O ATOM 0 H SER A 22 2.916 5.622 5.596 1.00 0.00 H new ATOM 0 HA SER A 22 2.636 7.696 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.939 7.742 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.142 8.732 7.645 1.00 0.00 H new ATOM 0 HG SER A 22 0.607 10.003 6.461 1.00 0.00 H new ATOM 296 N LYS A 23 5.280 7.817 5.599 1.00 0.00 N ATOM 297 CA LYS A 23 6.610 8.403 5.714 1.00 0.00 C ATOM 298 C LYS A 23 7.002 9.119 4.425 1.00 0.00 C ATOM 299 O LYS A 23 7.010 10.349 4.363 1.00 0.00 O ATOM 300 CB LYS A 23 7.641 7.320 6.041 1.00 0.00 C ATOM 301 CG LYS A 23 7.427 6.667 7.396 1.00 0.00 C ATOM 302 CD LYS A 23 8.682 5.961 7.879 1.00 0.00 C ATOM 303 CE LYS A 23 9.708 6.949 8.413 1.00 0.00 C ATOM 304 NZ LYS A 23 9.376 7.402 9.792 1.00 0.00 N ATOM 0 H LYS A 23 5.255 6.921 5.112 1.00 0.00 H new ATOM 0 HA LYS A 23 6.589 9.133 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.607 6.553 5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.638 7.759 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.131 7.424 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.608 5.951 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.421 5.248 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.118 5.390 7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.694 6.485 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.760 7.812 7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.099 8.074 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.446 7.867 9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.351 6.581 10.430 1.00 0.00 H new ATOM 318 N THR A 24 7.326 8.342 3.396 1.00 0.00 N ATOM 319 CA THR A 24 7.719 8.902 2.109 1.00 0.00 C ATOM 320 C THR A 24 7.715 7.835 1.021 1.00 0.00 C ATOM 321 O THR A 24 7.829 6.642 1.307 1.00 0.00 O ATOM 322 CB THR A 24 9.118 9.544 2.179 1.00 0.00 C ATOM 323 OG1 THR A 24 9.952 8.803 3.076 1.00 0.00 O ATOM 324 CG2 THR A 24 9.027 10.991 2.640 1.00 0.00 C ATOM 0 H THR A 24 7.324 7.323 3.429 1.00 0.00 H new ATOM 0 HA THR A 24 6.987 9.671 1.862 1.00 0.00 H new ATOM 0 HB THR A 24 9.553 9.525 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.840 9.216 3.114 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.027 11.423 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.415 11.559 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.574 11.029 3.630 1.00 0.00 H new ATOM 332 N LEU A 25 7.585 8.270 -0.227 1.00 0.00 N ATOM 333 CA LEU A 25 7.568 7.351 -1.360 1.00 0.00 C ATOM 334 C LEU A 25 8.180 8.000 -2.597 1.00 0.00 C ATOM 335 O LEU A 25 7.951 9.178 -2.872 1.00 0.00 O ATOM 336 CB LEU A 25 6.136 6.906 -1.659 1.00 0.00 C ATOM 337 CG LEU A 25 5.505 5.948 -0.648 1.00 0.00 C ATOM 338 CD1 LEU A 25 4.001 6.163 -0.576 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.823 4.505 -1.010 1.00 0.00 C ATOM 0 H LEU A 25 7.490 9.253 -0.480 1.00 0.00 H new ATOM 0 HA LEU A 25 8.166 6.478 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.508 7.794 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.122 6.429 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 25 5.928 6.156 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.569 5.473 0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.794 7.188 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.560 5.983 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.366 3.837 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.428 4.283 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.903 4.359 -1.009 1.00 0.00 H new ATOM 396 N VAL A 30 4.163 1.635 -4.718 1.00 0.00 N ATOM 397 CA VAL A 30 2.923 1.087 -5.255 1.00 0.00 C ATOM 398 C VAL A 30 1.708 1.781 -4.649 1.00 0.00 C ATOM 399 O VAL A 30 1.839 2.633 -3.770 1.00 0.00 O ATOM 400 CB VAL A 30 2.819 -0.427 -4.995 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.874 -1.180 -5.792 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.952 -0.722 -3.509 1.00 0.00 C ATOM 0 HA VAL A 30 2.939 1.262 -6.331 1.00 0.00 H new ATOM 0 HB VAL A 30 1.837 -0.768 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.785 -2.248 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.728 -0.994 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.866 -0.838 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.876 -1.797 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.919 -0.367 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.156 -0.214 -2.965 1.00 0.00 H new ATOM 412 N THR A 31 0.523 1.409 -5.125 1.00 0.00 N ATOM 413 CA THR A 31 -0.717 1.995 -4.631 1.00 0.00 C ATOM 414 C THR A 31 -1.801 0.935 -4.473 1.00 0.00 C ATOM 415 O THR A 31 -2.048 0.145 -5.384 1.00 0.00 O ATOM 416 CB THR A 31 -1.229 3.101 -5.572 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.347 3.771 -4.979 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.636 2.521 -6.918 1.00 0.00 C ATOM 0 H THR A 31 0.396 0.705 -5.852 1.00 0.00 H new ATOM 0 HA THR A 31 -0.495 2.431 -3.657 1.00 0.00 H new ATOM 0 HB THR A 31 -0.420 3.815 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.533 3.381 -4.100 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.994 3.321 -7.566 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.776 2.037 -7.381 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.430 1.788 -6.773 1.00 0.00 H new ATOM 426 N TYR A 32 -2.446 0.924 -3.312 1.00 0.00 N ATOM 427 CA TYR A 32 -3.504 -0.040 -3.034 1.00 0.00 C ATOM 428 C TYR A 32 -4.786 0.666 -2.606 1.00 0.00 C ATOM 429 O TYR A 32 -4.805 1.399 -1.617 1.00 0.00 O ATOM 430 CB TYR A 32 -3.058 -1.017 -1.945 1.00 0.00 C ATOM 431 CG TYR A 32 -4.194 -1.816 -1.346 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.918 -2.716 -2.118 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.545 -1.669 -0.010 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.957 -3.448 -1.576 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.582 -2.397 0.541 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.285 -3.285 -0.246 1.00 0.00 C ATOM 437 OH TYR A 32 -7.319 -4.011 0.298 1.00 0.00 O ATOM 0 H TYR A 32 -2.255 1.572 -2.548 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.706 -0.595 -3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.323 -1.704 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.558 -0.461 -1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.664 -2.846 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.998 -0.973 0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.509 -4.144 -2.190 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.841 -2.271 1.582 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.735 -3.497 1.021 1.00 0.00 H new ATOM 447 N ARG A 33 -5.858 0.440 -3.359 1.00 0.00 N ATOM 448 CA ARG A 33 -7.146 1.054 -3.060 1.00 0.00 C ATOM 449 C ARG A 33 -7.095 2.562 -3.288 1.00 0.00 C ATOM 450 O ARG A 33 -7.557 3.342 -2.455 1.00 0.00 O ATOM 451 CB ARG A 33 -7.551 0.760 -1.614 1.00 0.00 C ATOM 452 CG ARG A 33 -7.410 -0.703 -1.227 1.00 0.00 C ATOM 453 CD ARG A 33 -8.712 -1.462 -1.432 1.00 0.00 C ATOM 454 NE ARG A 33 -8.768 -2.111 -2.739 1.00 0.00 N ATOM 455 CZ ARG A 33 -9.899 -2.359 -3.389 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.063 -2.013 -2.856 1.00 0.00 N ATOM 457 NH2 ARG A 33 -9.868 -2.954 -4.575 1.00 0.00 N ATOM 0 H ARG A 33 -5.860 -0.164 -4.181 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.889 0.627 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.939 1.365 -0.944 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.586 1.068 -1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.622 -1.164 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.105 -0.777 -0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.821 -2.213 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.552 -0.774 -1.333 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.890 -2.389 -3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.091 -1.555 -1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.930 -2.205 -3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.975 -3.221 -4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.738 -3.144 -5.073 1.00 0.00 H new ATOM 471 N ASP A 34 -6.532 2.964 -4.422 1.00 0.00 N ATOM 472 CA ASP A 34 -6.421 4.378 -4.761 1.00 0.00 C ATOM 473 C ASP A 34 -5.623 5.130 -3.701 1.00 0.00 C ATOM 474 O ASP A 34 -5.922 6.283 -3.388 1.00 0.00 O ATOM 475 CB ASP A 34 -7.811 5.000 -4.907 1.00 0.00 C ATOM 476 CG ASP A 34 -7.756 6.431 -5.405 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.698 6.629 -6.636 1.00 0.00 O ATOM 478 OD2 ASP A 34 -7.770 7.353 -4.562 1.00 0.00 O ATOM 0 H ASP A 34 -6.145 2.331 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.894 4.458 -5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.403 4.400 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.321 4.973 -3.944 1.00 0.00 H new ATOM 483 N GLN A 35 -4.609 4.470 -3.151 1.00 0.00 N ATOM 484 CA GLN A 35 -3.770 5.076 -2.125 1.00 0.00 C ATOM 485 C GLN A 35 -2.350 4.522 -2.185 1.00 0.00 C ATOM 486 O GLN A 35 -2.125 3.359 -2.520 1.00 0.00 O ATOM 487 CB GLN A 35 -4.367 4.832 -0.738 1.00 0.00 C ATOM 488 CG GLN A 35 -5.541 5.741 -0.412 1.00 0.00 C ATOM 489 CD GLN A 35 -5.741 5.923 1.079 1.00 0.00 C ATOM 490 OE1 GLN A 35 -4.869 6.445 1.776 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.894 5.494 1.579 1.00 0.00 N ATOM 0 H GLN A 35 -4.349 3.515 -3.399 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.730 6.149 -2.312 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.692 3.794 -0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.590 4.973 0.013 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.381 6.715 -0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.449 5.326 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.589 5.068 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.085 5.591 2.576 1.00 0.00 H new ATOM 500 N PRO A 36 -1.368 5.374 -1.854 1.00 0.00 N ATOM 501 CA PRO A 36 0.048 4.991 -1.863 1.00 0.00 C ATOM 502 C PRO A 36 0.389 4.009 -0.748 1.00 0.00 C ATOM 503 O PRO A 36 0.063 4.240 0.417 1.00 0.00 O ATOM 504 CB PRO A 36 0.775 6.320 -1.647 1.00 0.00 C ATOM 505 CG PRO A 36 -0.209 7.179 -0.931 1.00 0.00 C ATOM 506 CD PRO A 36 -1.563 6.775 -1.446 1.00 0.00 C ATOM 0 HA PRO A 36 0.328 4.482 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.683 6.184 -1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.074 6.766 -2.595 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.142 7.034 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.018 8.235 -1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.329 6.867 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.877 7.398 -2.284 1.00 0.00 H new ATOM 514 N TRP A 37 1.048 2.915 -1.111 1.00 0.00 N ATOM 515 CA TRP A 37 1.434 1.897 -0.140 1.00 0.00 C ATOM 516 C TRP A 37 2.897 1.503 -0.317 1.00 0.00 C ATOM 517 O TRP A 37 3.445 1.591 -1.416 1.00 0.00 O ATOM 518 CB TRP A 37 0.541 0.664 -0.279 1.00 0.00 C ATOM 519 CG TRP A 37 -0.749 0.777 0.476 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.812 1.576 0.167 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.110 0.067 1.666 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.812 1.407 1.094 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.407 0.486 2.023 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.465 -0.882 2.463 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.067 -0.012 3.143 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.122 -1.375 3.575 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.412 -0.940 3.906 1.00 0.00 C ATOM 0 H TRP A 37 1.326 2.710 -2.071 1.00 0.00 H new ATOM 0 HA TRP A 37 1.308 2.317 0.858 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.323 0.499 -1.334 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.085 -0.212 0.075 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.860 2.243 -0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.711 1.889 1.091 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.529 -1.224 2.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.061 0.322 3.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.633 -2.108 4.199 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.899 -1.345 4.781 1.00 0.00 H new ATOM 538 N HIS A 38 3.524 1.069 0.772 1.00 0.00 N ATOM 539 CA HIS A 38 4.924 0.661 0.735 1.00 0.00 C ATOM 540 C HIS A 38 5.068 -0.732 0.129 1.00 0.00 C ATOM 541 O HIS A 38 4.507 -1.702 0.639 1.00 0.00 O ATOM 542 CB HIS A 38 5.520 0.681 2.143 1.00 0.00 C ATOM 543 CG HIS A 38 6.181 1.978 2.495 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.116 2.540 3.752 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.927 2.823 1.745 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.791 3.675 3.761 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.293 3.870 2.555 1.00 0.00 N ATOM 0 H HIS A 38 3.085 0.991 1.690 1.00 0.00 H new ATOM 0 HA HIS A 38 5.467 1.369 0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.730 0.477 2.866 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.249 -0.125 2.232 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.186 2.697 0.704 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.912 4.332 4.610 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.860 4.669 2.271 1.00 0.00 H new ATOM 555 N ARG A 39 5.822 -0.823 -0.961 1.00 0.00 N ATOM 556 CA ARG A 39 6.038 -2.096 -1.638 1.00 0.00 C ATOM 557 C ARG A 39 6.274 -3.215 -0.627 1.00 0.00 C ATOM 558 O ARG A 39 6.013 -4.384 -0.909 1.00 0.00 O ATOM 559 CB ARG A 39 7.229 -1.995 -2.592 1.00 0.00 C ATOM 560 CG ARG A 39 6.870 -1.430 -3.957 1.00 0.00 C ATOM 561 CD ARG A 39 7.792 -1.964 -5.041 1.00 0.00 C ATOM 562 NE ARG A 39 7.796 -3.424 -5.087 1.00 0.00 N ATOM 563 CZ ARG A 39 8.725 -4.138 -5.713 1.00 0.00 C ATOM 564 NH1 ARG A 39 9.720 -3.529 -6.343 1.00 0.00 N ATOM 565 NH2 ARG A 39 8.659 -5.463 -5.710 1.00 0.00 N ATOM 0 H ARG A 39 6.294 -0.030 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 39 5.142 -2.331 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.995 -1.366 -2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.665 -2.986 -2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.838 -1.685 -4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.931 -0.342 -3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.479 -1.572 -6.009 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.806 -1.604 -4.864 1.00 0.00 H new ATOM 0 HE ARG A 39 7.044 -3.923 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.773 -2.510 -6.348 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.432 -4.079 -6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.894 -5.934 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.373 -6.010 -6.191 1.00 0.00 H new ATOM 579 N GLU A 40 6.772 -2.847 0.549 1.00 0.00 N ATOM 580 CA GLU A 40 7.045 -3.820 1.600 1.00 0.00 C ATOM 581 C GLU A 40 5.812 -4.041 2.472 1.00 0.00 C ATOM 582 O GLU A 40 5.473 -5.174 2.813 1.00 0.00 O ATOM 583 CB GLU A 40 8.218 -3.355 2.465 1.00 0.00 C ATOM 584 CG GLU A 40 8.103 -3.771 3.922 1.00 0.00 C ATOM 585 CD GLU A 40 9.452 -4.039 4.560 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.373 -3.217 4.370 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.587 -5.071 5.251 1.00 0.00 O ATOM 0 H GLU A 40 6.994 -1.883 0.798 1.00 0.00 H new ATOM 0 HA GLU A 40 7.306 -4.765 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.144 -3.757 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.290 -2.269 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.590 -2.988 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.487 -4.668 3.992 1.00 0.00 H new ATOM 594 N CYS A 41 5.145 -2.948 2.830 1.00 0.00 N ATOM 595 CA CYS A 41 3.950 -3.019 3.662 1.00 0.00 C ATOM 596 C CYS A 41 2.831 -3.768 2.945 1.00 0.00 C ATOM 597 O CYS A 41 2.229 -4.689 3.500 1.00 0.00 O ATOM 598 CB CYS A 41 3.479 -1.613 4.036 1.00 0.00 C ATOM 599 SG CYS A 41 4.515 -0.790 5.288 1.00 0.00 S ATOM 0 H CYS A 41 5.412 -2.002 2.556 1.00 0.00 H new ATOM 0 HA CYS A 41 4.203 -3.564 4.571 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.457 -0.998 3.137 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.456 -1.671 4.408 1.00 0.00 H new ATOM 0 HG CYS A 41 3.952 0.323 5.654 1.00 0.00 H new ATOM 604 N LEU A 42 2.557 -3.368 1.708 1.00 0.00 N ATOM 605 CA LEU A 42 1.510 -4.001 0.913 1.00 0.00 C ATOM 606 C LEU A 42 1.680 -5.517 0.897 1.00 0.00 C ATOM 607 O LEU A 42 2.311 -6.072 -0.003 1.00 0.00 O ATOM 608 CB LEU A 42 1.531 -3.459 -0.517 1.00 0.00 C ATOM 609 CG LEU A 42 0.493 -4.049 -1.473 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.911 -3.646 -1.051 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.771 -3.604 -2.902 1.00 0.00 C ATOM 0 H LEU A 42 3.045 -2.608 1.234 1.00 0.00 H new ATOM 0 HA LEU A 42 0.549 -3.767 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.387 -2.379 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.522 -3.633 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 42 0.565 -5.136 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.636 -4.075 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.108 -4.014 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.997 -2.559 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.023 -4.033 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.727 -2.516 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.762 -3.944 -3.203 1.00 0.00 H new ATOM 623 N VAL A 43 1.112 -6.182 1.898 1.00 0.00 N ATOM 624 CA VAL A 43 1.198 -7.634 1.997 1.00 0.00 C ATOM 625 C VAL A 43 -0.129 -8.233 2.449 1.00 0.00 C ATOM 626 O VAL A 43 -0.910 -7.585 3.148 1.00 0.00 O ATOM 627 CB VAL A 43 2.304 -8.065 2.978 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.643 -7.471 2.568 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.944 -7.658 4.399 1.00 0.00 C ATOM 0 H VAL A 43 0.587 -5.738 2.652 1.00 0.00 H new ATOM 0 HA VAL A 43 1.441 -8.006 1.002 1.00 0.00 H new ATOM 0 HB VAL A 43 2.390 -9.151 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.412 -7.787 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.904 -7.817 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.574 -6.383 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.737 -7.970 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.829 -6.575 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.008 -8.136 4.688 1.00 0.00 H new ATOM 639 N CYS A 44 -0.379 -9.474 2.047 1.00 0.00 N ATOM 640 CA CYS A 44 -1.612 -10.163 2.411 1.00 0.00 C ATOM 641 C CYS A 44 -1.915 -9.988 3.896 1.00 0.00 C ATOM 642 O CYS A 44 -1.028 -9.673 4.690 1.00 0.00 O ATOM 643 CB CYS A 44 -1.509 -11.651 2.071 1.00 0.00 C ATOM 644 SG CYS A 44 -3.080 -12.560 2.227 1.00 0.00 S ATOM 0 H CYS A 44 0.256 -10.024 1.469 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.428 -9.722 1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.141 -11.755 1.050 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.769 -12.112 2.725 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.088 -13.558 1.394 1.00 0.00 H new ATOM 649 N THR A 45 -3.175 -10.197 4.266 1.00 0.00 N ATOM 650 CA THR A 45 -3.596 -10.062 5.655 1.00 0.00 C ATOM 651 C THR A 45 -3.620 -11.416 6.356 1.00 0.00 C ATOM 652 O THR A 45 -3.793 -11.493 7.571 1.00 0.00 O ATOM 653 CB THR A 45 -4.991 -9.418 5.759 1.00 0.00 C ATOM 654 OG1 THR A 45 -5.102 -8.336 4.828 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.248 -8.909 7.169 1.00 0.00 C ATOM 0 H THR A 45 -3.922 -10.460 3.623 1.00 0.00 H new ATOM 0 HA THR A 45 -2.868 -9.415 6.145 1.00 0.00 H new ATOM 0 HB THR A 45 -5.736 -10.178 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.441 -7.541 5.289 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.239 -8.458 7.218 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.192 -9.740 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.497 -8.163 7.429 1.00 0.00 H new ATOM 663 N GLY A 46 -3.445 -12.482 5.580 1.00 0.00 N ATOM 664 CA GLY A 46 -3.449 -13.819 6.145 1.00 0.00 C ATOM 665 C GLY A 46 -2.063 -14.428 6.204 1.00 0.00 C ATOM 666 O GLY A 46 -1.597 -14.828 7.271 1.00 0.00 O ATOM 0 H GLY A 46 -3.301 -12.443 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.870 -13.784 7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.099 -14.460 5.549 1.00 0.00 H new ATOM 670 N CYS A 47 -1.401 -14.501 5.054 1.00 0.00 N ATOM 671 CA CYS A 47 -0.060 -15.068 4.977 1.00 0.00 C ATOM 672 C CYS A 47 0.999 -13.973 5.058 1.00 0.00 C ATOM 673 O CYS A 47 2.175 -14.250 5.293 1.00 0.00 O ATOM 674 CB CYS A 47 0.108 -15.860 3.679 1.00 0.00 C ATOM 675 SG CYS A 47 -0.181 -14.882 2.169 1.00 0.00 S ATOM 0 H CYS A 47 -1.772 -14.174 4.162 1.00 0.00 H new ATOM 0 HA CYS A 47 0.072 -15.740 5.825 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.117 -16.272 3.645 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.581 -16.705 3.689 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.313 -14.251 2.271 1.00 0.00 H new ATOM 680 N GLN A 48 0.572 -12.729 4.863 1.00 0.00 N ATOM 681 CA GLN A 48 1.484 -11.592 4.914 1.00 0.00 C ATOM 682 C GLN A 48 2.498 -11.656 3.776 1.00 0.00 C ATOM 683 O GLN A 48 3.695 -11.453 3.984 1.00 0.00 O ATOM 684 CB GLN A 48 2.212 -11.555 6.260 1.00 0.00 C ATOM 685 CG GLN A 48 1.277 -11.436 7.453 1.00 0.00 C ATOM 686 CD GLN A 48 0.489 -10.140 7.450 1.00 0.00 C ATOM 687 OE1 GLN A 48 1.058 -9.055 7.329 1.00 0.00 O ATOM 688 NE2 GLN A 48 -0.827 -10.248 7.583 1.00 0.00 N ATOM 0 H GLN A 48 -0.399 -12.483 4.668 1.00 0.00 H new ATOM 0 HA GLN A 48 0.896 -10.681 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.809 -12.461 6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.905 -10.714 6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.585 -12.278 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.858 -11.502 8.373 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.256 -11.168 7.680 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.410 -9.411 7.588 1.00 0.00 H new ATOM 697 N THR A 49 2.012 -11.941 2.572 1.00 0.00 N ATOM 698 CA THR A 49 2.875 -12.033 1.402 1.00 0.00 C ATOM 699 C THR A 49 2.844 -10.741 0.592 1.00 0.00 C ATOM 700 O THR A 49 1.802 -10.104 0.435 1.00 0.00 O ATOM 701 CB THR A 49 2.463 -13.206 0.491 1.00 0.00 C ATOM 702 OG1 THR A 49 3.489 -13.459 -0.475 1.00 0.00 O ATOM 703 CG2 THR A 49 1.153 -12.905 -0.219 1.00 0.00 C ATOM 0 H THR A 49 1.025 -12.112 2.382 1.00 0.00 H new ATOM 0 HA THR A 49 3.887 -12.205 1.769 1.00 0.00 H new ATOM 0 HB THR A 49 2.325 -14.090 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.221 -14.207 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.883 -13.747 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.368 -12.742 0.519 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.268 -12.010 -0.830 1.00 0.00 H new ATOM 711 N PRO A 50 4.011 -10.344 0.065 1.00 0.00 N ATOM 712 CA PRO A 50 4.144 -9.125 -0.738 1.00 0.00 C ATOM 713 C PRO A 50 3.461 -9.249 -2.096 1.00 0.00 C ATOM 714 O PRO A 50 3.926 -9.979 -2.972 1.00 0.00 O ATOM 715 CB PRO A 50 5.657 -8.978 -0.912 1.00 0.00 C ATOM 716 CG PRO A 50 6.191 -10.361 -0.774 1.00 0.00 C ATOM 717 CD PRO A 50 5.293 -11.055 0.213 1.00 0.00 C ATOM 0 HA PRO A 50 3.671 -8.268 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.904 -8.554 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.079 -8.314 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.189 -10.878 -1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.222 -10.348 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.192 -12.117 -0.012 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.679 -10.980 1.230 1.00 0.00 H new ATOM 725 N LEU A 51 2.356 -8.532 -2.264 1.00 0.00 N ATOM 726 CA LEU A 51 1.608 -8.561 -3.517 1.00 0.00 C ATOM 727 C LEU A 51 2.133 -7.509 -4.489 1.00 0.00 C ATOM 728 O LEU A 51 1.512 -7.232 -5.514 1.00 0.00 O ATOM 729 CB LEU A 51 0.120 -8.328 -3.251 1.00 0.00 C ATOM 730 CG LEU A 51 -0.474 -9.075 -2.056 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.633 -8.292 -1.460 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.925 -10.468 -2.469 1.00 0.00 C ATOM 0 H LEU A 51 1.958 -7.923 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 51 1.741 -9.544 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.039 -7.260 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.437 -8.611 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 51 0.299 -9.176 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.043 -8.839 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.280 -7.316 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.408 -8.159 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.345 -10.985 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.682 -10.389 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.071 -11.029 -2.848 1.00 0.00 H new ATOM 744 N ALA A 52 3.283 -6.928 -4.160 1.00 0.00 N ATOM 745 CA ALA A 52 3.894 -5.911 -5.006 1.00 0.00 C ATOM 746 C ALA A 52 3.849 -6.318 -6.475 1.00 0.00 C ATOM 747 O ALA A 52 4.668 -7.113 -6.934 1.00 0.00 O ATOM 748 CB ALA A 52 5.329 -5.655 -4.571 1.00 0.00 C ATOM 0 H ALA A 52 3.809 -7.145 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 52 3.322 -4.990 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.773 -4.893 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.340 -5.311 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.904 -6.577 -4.652 1.00 0.00 H new ATOM 754 N GLY A 53 2.885 -5.769 -7.208 1.00 0.00 N ATOM 755 CA GLY A 53 2.750 -6.088 -8.617 1.00 0.00 C ATOM 756 C GLY A 53 2.296 -7.516 -8.847 1.00 0.00 C ATOM 757 O GLY A 53 2.733 -8.167 -9.795 1.00 0.00 O ATOM 0 H GLY A 53 2.195 -5.109 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.035 -5.404 -9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.706 -5.929 -9.116 1.00 0.00 H new ATOM 761 N GLN A 54 1.417 -8.003 -7.977 1.00 0.00 N ATOM 762 CA GLN A 54 0.905 -9.363 -8.089 1.00 0.00 C ATOM 763 C GLN A 54 -0.616 -9.365 -8.204 1.00 0.00 C ATOM 764 O GLN A 54 -1.281 -8.428 -7.764 1.00 0.00 O ATOM 765 CB GLN A 54 1.339 -10.195 -6.881 1.00 0.00 C ATOM 766 CG GLN A 54 0.653 -11.550 -6.797 1.00 0.00 C ATOM 767 CD GLN A 54 1.443 -12.553 -5.980 1.00 0.00 C ATOM 768 OE1 GLN A 54 2.568 -12.909 -6.331 1.00 0.00 O ATOM 769 NE2 GLN A 54 0.855 -13.017 -4.883 1.00 0.00 N ATOM 0 H GLN A 54 1.045 -7.476 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 54 1.319 -9.807 -8.994 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.418 -10.345 -6.922 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.130 -9.634 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.336 -11.426 -6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.506 -11.942 -7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.079 -12.694 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.337 -13.696 -4.294 1.00 0.00 H new ATOM 778 N GLN A 55 -1.158 -10.424 -8.797 1.00 0.00 N ATOM 779 CA GLN A 55 -2.601 -10.546 -8.969 1.00 0.00 C ATOM 780 C GLN A 55 -3.272 -10.964 -7.665 1.00 0.00 C ATOM 781 O GLN A 55 -3.081 -12.082 -7.187 1.00 0.00 O ATOM 782 CB GLN A 55 -2.920 -11.561 -10.069 1.00 0.00 C ATOM 783 CG GLN A 55 -4.314 -11.405 -10.655 1.00 0.00 C ATOM 784 CD GLN A 55 -5.394 -11.961 -9.748 1.00 0.00 C ATOM 785 OE1 GLN A 55 -6.110 -11.211 -9.084 1.00 0.00 O ATOM 786 NE2 GLN A 55 -5.517 -13.283 -9.715 1.00 0.00 N ATOM 0 H GLN A 55 -0.621 -11.209 -9.166 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.991 -9.570 -9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.186 -11.461 -10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.816 -12.568 -9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.510 -10.349 -10.841 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.358 -11.912 -11.619 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.902 -13.867 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.226 -13.715 -9.123 1.00 0.00 H new ATOM 795 N PHE A 56 -4.058 -10.058 -7.093 1.00 0.00 N ATOM 796 CA PHE A 56 -4.757 -10.332 -5.843 1.00 0.00 C ATOM 797 C PHE A 56 -6.087 -9.586 -5.789 1.00 0.00 C ATOM 798 O PHE A 56 -6.447 -8.864 -6.719 1.00 0.00 O ATOM 799 CB PHE A 56 -3.886 -9.933 -4.650 1.00 0.00 C ATOM 800 CG PHE A 56 -3.675 -8.451 -4.531 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.589 -7.659 -3.854 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.562 -7.849 -5.096 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.397 -6.295 -3.745 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.364 -6.485 -4.989 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.283 -5.707 -4.311 1.00 0.00 C ATOM 0 H PHE A 56 -4.227 -9.128 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.959 -11.402 -5.795 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.348 -10.301 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.917 -10.424 -4.738 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.461 -8.113 -3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.840 -8.453 -5.626 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.118 -5.689 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.493 -6.028 -5.435 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.130 -4.641 -4.224 1.00 0.00 H new ATOM 815 N THR A 57 -6.815 -9.767 -4.691 1.00 0.00 N ATOM 816 CA THR A 57 -8.106 -9.114 -4.514 1.00 0.00 C ATOM 817 C THR A 57 -8.245 -8.541 -3.108 1.00 0.00 C ATOM 818 O THR A 57 -7.590 -9.001 -2.173 1.00 0.00 O ATOM 819 CB THR A 57 -9.269 -10.089 -4.777 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.521 -9.427 -4.564 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.172 -11.305 -3.868 1.00 0.00 C ATOM 0 H THR A 57 -6.532 -10.361 -3.911 1.00 0.00 H new ATOM 0 HA THR A 57 -8.151 -8.302 -5.240 1.00 0.00 H new ATOM 0 HB THR A 57 -9.206 -10.423 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.255 -10.053 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.004 -11.979 -4.072 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.231 -11.823 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.211 -10.985 -2.827 1.00 0.00 H new ATOM 829 N SER A 58 -9.103 -7.536 -2.966 1.00 0.00 N ATOM 830 CA SER A 58 -9.325 -6.899 -1.673 1.00 0.00 C ATOM 831 C SER A 58 -10.667 -7.322 -1.083 1.00 0.00 C ATOM 832 O SER A 58 -11.676 -7.379 -1.785 1.00 0.00 O ATOM 833 CB SER A 58 -9.275 -5.376 -1.816 1.00 0.00 C ATOM 834 OG SER A 58 -10.166 -4.929 -2.824 1.00 0.00 O ATOM 0 H SER A 58 -9.655 -7.146 -3.729 1.00 0.00 H new ATOM 0 HA SER A 58 -8.533 -7.220 -0.996 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.533 -4.910 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.259 -5.064 -2.059 1.00 0.00 H new ATOM 0 HG SER A 58 -10.989 -4.596 -2.409 1.00 0.00 H new ATOM 840 N ARG A 59 -10.669 -7.617 0.213 1.00 0.00 N ATOM 841 CA ARG A 59 -11.885 -8.037 0.899 1.00 0.00 C ATOM 842 C ARG A 59 -12.053 -7.285 2.216 1.00 0.00 C ATOM 843 O ARG A 59 -11.110 -7.166 2.999 1.00 0.00 O ATOM 844 CB ARG A 59 -11.855 -9.544 1.160 1.00 0.00 C ATOM 845 CG ARG A 59 -12.489 -10.367 0.051 1.00 0.00 C ATOM 846 CD ARG A 59 -13.947 -10.678 0.352 1.00 0.00 C ATOM 847 NE ARG A 59 -14.814 -9.529 0.106 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.118 -9.628 -0.125 1.00 0.00 C ATOM 849 NH1 ARG A 59 -16.703 -10.818 -0.140 1.00 0.00 N ATOM 850 NH2 ARG A 59 -16.841 -8.536 -0.340 1.00 0.00 N ATOM 0 H ARG A 59 -9.842 -7.573 0.809 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.734 -7.804 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.820 -9.861 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.372 -9.752 2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.419 -9.825 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.936 -11.298 -0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.273 -11.517 -0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.044 -10.989 1.392 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.395 -8.599 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.151 -11.660 0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.705 -10.892 -0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.395 -7.619 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.842 -8.614 -0.517 1.00 0.00 H new ATOM 864 N ASP A 60 -13.258 -6.779 2.453 1.00 0.00 N ATOM 865 CA ASP A 60 -13.550 -6.039 3.675 1.00 0.00 C ATOM 866 C ASP A 60 -12.491 -4.971 3.930 1.00 0.00 C ATOM 867 O ASP A 60 -12.078 -4.753 5.069 1.00 0.00 O ATOM 868 CB ASP A 60 -13.627 -6.993 4.868 1.00 0.00 C ATOM 869 CG ASP A 60 -14.682 -8.067 4.683 1.00 0.00 C ATOM 870 OD1 ASP A 60 -14.428 -9.022 3.920 1.00 0.00 O ATOM 871 OD2 ASP A 60 -15.761 -7.952 5.302 1.00 0.00 O ATOM 0 H ASP A 60 -14.049 -6.868 1.815 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.514 -5.546 3.550 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.655 -7.464 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.847 -6.424 5.771 1.00 0.00 H new ATOM 876 N GLU A 61 -12.055 -4.310 2.862 1.00 0.00 N ATOM 877 CA GLU A 61 -11.043 -3.266 2.971 1.00 0.00 C ATOM 878 C GLU A 61 -9.712 -3.847 3.439 1.00 0.00 C ATOM 879 O GLU A 61 -9.078 -3.317 4.352 1.00 0.00 O ATOM 880 CB GLU A 61 -11.505 -2.176 3.940 1.00 0.00 C ATOM 881 CG GLU A 61 -12.851 -1.570 3.577 1.00 0.00 C ATOM 882 CD GLU A 61 -12.975 -0.123 4.013 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.117 0.692 3.615 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.930 0.194 4.753 1.00 0.00 O ATOM 0 H GLU A 61 -12.387 -4.479 1.912 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.902 -2.827 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.564 -2.595 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.756 -1.385 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.995 -1.634 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.646 -2.155 4.040 1.00 0.00 H new ATOM 891 N ASP A 62 -9.294 -4.939 2.808 1.00 0.00 N ATOM 892 CA ASP A 62 -8.038 -5.592 3.158 1.00 0.00 C ATOM 893 C ASP A 62 -7.491 -6.387 1.977 1.00 0.00 C ATOM 894 O ASP A 62 -8.192 -7.189 1.359 1.00 0.00 O ATOM 895 CB ASP A 62 -8.237 -6.514 4.362 1.00 0.00 C ATOM 896 CG ASP A 62 -8.169 -5.769 5.680 1.00 0.00 C ATOM 897 OD1 ASP A 62 -9.202 -5.204 6.096 1.00 0.00 O ATOM 898 OD2 ASP A 62 -7.082 -5.750 6.296 1.00 0.00 O ATOM 0 H ASP A 62 -9.807 -5.391 2.051 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.315 -4.819 3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.203 -7.012 4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.475 -7.293 4.349 1.00 0.00 H new ATOM 903 N PRO A 63 -6.210 -6.159 1.653 1.00 0.00 N ATOM 904 CA PRO A 63 -5.540 -6.844 0.543 1.00 0.00 C ATOM 905 C PRO A 63 -5.307 -8.324 0.831 1.00 0.00 C ATOM 906 O PRO A 63 -4.505 -8.679 1.694 1.00 0.00 O ATOM 907 CB PRO A 63 -4.205 -6.106 0.424 1.00 0.00 C ATOM 908 CG PRO A 63 -3.960 -5.545 1.783 1.00 0.00 C ATOM 909 CD PRO A 63 -5.315 -5.217 2.346 1.00 0.00 C ATOM 0 HA PRO A 63 -6.137 -6.822 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.404 -6.782 0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.254 -5.317 -0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.439 -6.265 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.333 -4.655 1.731 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.345 -5.355 3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.592 -4.181 2.149 1.00 0.00 H new ATOM 917 N TYR A 64 -6.013 -9.181 0.102 1.00 0.00 N ATOM 918 CA TYR A 64 -5.884 -10.623 0.281 1.00 0.00 C ATOM 919 C TYR A 64 -5.402 -11.290 -1.004 1.00 0.00 C ATOM 920 O TYR A 64 -5.966 -11.077 -2.078 1.00 0.00 O ATOM 921 CB TYR A 64 -7.222 -11.226 0.711 1.00 0.00 C ATOM 922 CG TYR A 64 -7.523 -11.044 2.182 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.917 -11.847 3.140 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.414 -10.069 2.613 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.189 -11.685 4.484 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.691 -9.898 3.955 1.00 0.00 C ATOM 927 CZ TYR A 64 -8.077 -10.709 4.887 1.00 0.00 C ATOM 928 OH TYR A 64 -8.350 -10.543 6.225 1.00 0.00 O ATOM 0 H TYR A 64 -6.680 -8.903 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.145 -10.802 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.021 -10.771 0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.223 -12.291 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.221 -12.611 2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.898 -9.434 1.886 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.709 -12.319 5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.384 -9.134 4.273 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.994 -9.813 6.339 1.00 0.00 H new ATOM 938 N CYS A 65 -4.355 -12.099 -0.886 1.00 0.00 N ATOM 939 CA CYS A 65 -3.795 -12.800 -2.035 1.00 0.00 C ATOM 940 C CYS A 65 -4.714 -13.933 -2.482 1.00 0.00 C ATOM 941 O CYS A 65 -5.488 -14.470 -1.689 1.00 0.00 O ATOM 942 CB CYS A 65 -2.411 -13.355 -1.696 1.00 0.00 C ATOM 943 SG CYS A 65 -2.444 -14.959 -0.834 1.00 0.00 S ATOM 0 H CYS A 65 -3.876 -12.286 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.702 -12.087 -2.854 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.838 -13.461 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.883 -12.631 -1.075 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.656 -14.913 0.199 1.00 0.00 H new ATOM 948 N VAL A 66 -4.624 -14.292 -3.759 1.00 0.00 N ATOM 949 CA VAL A 66 -5.445 -15.362 -4.312 1.00 0.00 C ATOM 950 C VAL A 66 -5.400 -16.603 -3.428 1.00 0.00 C ATOM 951 O VAL A 66 -6.391 -17.321 -3.297 1.00 0.00 O ATOM 952 CB VAL A 66 -4.990 -15.741 -5.734 1.00 0.00 C ATOM 953 CG1 VAL A 66 -5.870 -16.846 -6.300 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.004 -14.520 -6.641 1.00 0.00 C ATOM 0 H VAL A 66 -3.990 -13.857 -4.430 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.467 -14.987 -4.354 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.967 -16.115 -5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.533 -17.100 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.804 -17.727 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.904 -16.503 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.680 -14.806 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.014 -14.114 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.328 -13.763 -6.243 1.00 0.00 H new ATOM 964 N ALA A 67 -4.243 -16.849 -2.822 1.00 0.00 N ATOM 965 CA ALA A 67 -4.068 -18.002 -1.948 1.00 0.00 C ATOM 966 C ALA A 67 -5.001 -17.924 -0.744 1.00 0.00 C ATOM 967 O ALA A 67 -5.566 -18.932 -0.317 1.00 0.00 O ATOM 968 CB ALA A 67 -2.621 -18.104 -1.491 1.00 0.00 C ATOM 0 H ALA A 67 -3.413 -16.265 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.322 -18.898 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.506 -18.970 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.972 -18.215 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.347 -17.200 -0.946 1.00 0.00 H new ATOM 974 N CYS A 68 -5.158 -16.722 -0.200 1.00 0.00 N ATOM 975 CA CYS A 68 -6.021 -16.512 0.956 1.00 0.00 C ATOM 976 C CYS A 68 -7.476 -16.344 0.525 1.00 0.00 C ATOM 977 O CYS A 68 -8.371 -17.001 1.056 1.00 0.00 O ATOM 978 CB CYS A 68 -5.565 -15.282 1.742 1.00 0.00 C ATOM 979 SG CYS A 68 -4.089 -15.563 2.772 1.00 0.00 S ATOM 0 H CYS A 68 -4.698 -15.878 -0.542 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.949 -17.391 1.597 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.358 -14.473 1.042 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.383 -14.949 2.381 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.466 -14.436 2.955 1.00 0.00 H new ATOM 984 N PHE A 69 -7.703 -15.460 -0.440 1.00 0.00 N ATOM 985 CA PHE A 69 -9.048 -15.204 -0.942 1.00 0.00 C ATOM 986 C PHE A 69 -9.799 -16.511 -1.174 1.00 0.00 C ATOM 987 O PHE A 69 -10.936 -16.673 -0.732 1.00 0.00 O ATOM 988 CB PHE A 69 -8.985 -14.401 -2.243 1.00 0.00 C ATOM 989 CG PHE A 69 -10.337 -14.043 -2.792 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.110 -13.067 -2.184 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.835 -14.683 -3.916 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.354 -12.735 -2.687 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.078 -14.355 -4.423 1.00 0.00 C ATOM 994 CZ PHE A 69 -12.839 -13.381 -3.807 1.00 0.00 C ATOM 0 H PHE A 69 -6.973 -14.908 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.585 -14.625 -0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.418 -13.486 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.439 -14.977 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.736 -12.560 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.245 -15.447 -4.401 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.946 -11.971 -2.205 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.454 -14.860 -5.300 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.812 -13.125 -4.200 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.155 -17.442 -1.871 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.777 -18.723 -2.150 1.00 0.00 C ATOM 1006 C GLY A 70 -9.478 -19.758 -1.084 1.00 0.00 C ATOM 1007 O GLY A 70 -9.444 -20.956 -1.365 1.00 0.00 O ATOM 0 H GLY A 70 -8.213 -17.332 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.856 -18.590 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.429 -19.090 -3.116 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.259 -19.295 0.143 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.958 -20.190 1.254 1.00 0.00 C ATOM 1013 C GLU A 71 -9.763 -19.809 2.493 1.00 0.00 C ATOM 1014 O GLU A 71 -10.317 -20.670 3.177 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.462 -20.157 1.574 1.00 0.00 C ATOM 1016 CG GLU A 71 -7.090 -20.940 2.822 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.935 -22.425 2.555 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -7.747 -22.975 1.782 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -6.004 -23.036 3.119 1.00 0.00 O ATOM 0 H GLU A 71 -9.284 -18.306 0.392 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.236 -21.201 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.908 -20.558 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.148 -19.121 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.157 -20.548 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.856 -20.789 3.583 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.823 -18.512 2.777 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.559 -18.015 3.934 1.00 0.00 C ATOM 1028 C LEU A 72 -12.050 -17.918 3.629 1.00 0.00 C ATOM 1029 O LEU A 72 -12.874 -18.538 4.302 1.00 0.00 O ATOM 1030 CB LEU A 72 -10.022 -16.646 4.354 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.702 -16.650 5.126 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.553 -17.054 4.216 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.441 -15.284 5.745 1.00 0.00 C ATOM 0 H LEU A 72 -9.371 -17.786 2.222 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.420 -18.720 4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.894 -16.038 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.777 -16.155 4.968 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.776 -17.382 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.622 -17.051 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.735 -18.054 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.477 -16.347 3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.497 -15.306 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.388 -14.532 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.251 -15.035 6.431 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.391 -17.136 2.610 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.784 -16.958 2.215 1.00 0.00 C ATOM 1047 C PHE A 73 -14.286 -18.170 1.435 1.00 0.00 C ATOM 1048 O PHE A 73 -15.399 -18.646 1.657 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.939 -15.693 1.369 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.193 -14.510 1.918 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.777 -13.685 2.866 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.908 -14.224 1.486 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -13.093 -12.596 3.372 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.219 -13.136 1.989 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.812 -12.322 2.934 1.00 0.00 C ATOM 0 H PHE A 73 -11.722 -16.615 2.043 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.383 -16.856 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.588 -15.897 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.997 -15.443 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.778 -13.895 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.439 -14.858 0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.560 -11.960 4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.218 -12.923 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.275 -11.473 3.330 1.00 0.00 H new