USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 156:sc= -0.202 (180deg=-0.712) USER MOD Set 1.2: A 89 MET CE :methyl 142:sc= -0.133 (180deg=0) USER MOD Single : A 15 SER OG : rot -40:sc= 0.177 USER MOD Single : A 17 LYS NZ :NH3+ -124:sc= 0.0118 (180deg=-0.434) USER MOD Single : A 20 ASN : amide:sc= 0.681 K(o=0.68,f=-2.2!) USER MOD Single : A 22 THR OG1 : rot -49:sc= 0.848 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -80:sc= 0.249 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 115:sc= 0.452 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -155:sc= 0.114 USER MOD Single : A 44 TYR OH : rot 68:sc= 1.22 USER MOD Single : A 63 HIS : no HD1:sc= -1.96 K(o=-2,f=-7.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -170:sc= -0.859 (180deg=-1.39) USER MOD Single : A 88 GLN : amide:sc= 0.808 K(o=0.81,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.677 6.740 5.105 1.00 0.00 N ATOM 204 CA SER A 15 10.445 6.693 4.331 1.00 0.00 C ATOM 205 C SER A 15 10.076 5.251 4.023 1.00 0.00 C ATOM 206 O SER A 15 10.933 4.432 3.706 1.00 0.00 O ATOM 207 CB SER A 15 10.649 7.484 3.041 1.00 0.00 C ATOM 208 OG SER A 15 11.838 7.043 2.414 1.00 0.00 O ATOM 0 HA SER A 15 9.628 7.134 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.798 7.344 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.711 8.550 3.259 1.00 0.00 H new ATOM 0 HG SER A 15 12.528 6.890 3.093 1.00 0.00 H new ATOM 214 N LEU A 16 8.780 4.962 4.124 1.00 0.00 N ATOM 215 CA LEU A 16 8.224 3.646 3.818 1.00 0.00 C ATOM 216 C LEU A 16 7.582 3.746 2.445 1.00 0.00 C ATOM 217 O LEU A 16 7.251 4.852 2.028 1.00 0.00 O ATOM 218 CB LEU A 16 7.222 3.330 4.936 1.00 0.00 C ATOM 219 CG LEU A 16 6.710 1.896 5.141 1.00 0.00 C ATOM 220 CD1 LEU A 16 5.432 1.592 4.367 1.00 0.00 C ATOM 221 CD2 LEU A 16 7.780 0.855 4.839 1.00 0.00 C ATOM 0 H LEU A 16 8.080 5.641 4.423 1.00 0.00 H new ATOM 0 HA LEU A 16 8.959 2.842 3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.677 3.647 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.350 3.963 4.775 1.00 0.00 H new ATOM 0 HG LEU A 16 6.461 1.832 6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.127 0.563 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.642 2.270 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.612 1.725 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.372 -0.143 4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.102 0.954 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.633 1.008 5.500 1.00 0.00 H new ATOM 233 N LYS A 17 7.421 2.609 1.765 1.00 0.00 N ATOM 234 CA LYS A 17 6.785 2.483 0.456 1.00 0.00 C ATOM 235 C LYS A 17 5.989 1.182 0.437 1.00 0.00 C ATOM 236 O LYS A 17 6.431 0.159 0.958 1.00 0.00 O ATOM 237 CB LYS A 17 7.845 2.533 -0.654 1.00 0.00 C ATOM 238 CG LYS A 17 7.464 1.850 -1.967 1.00 0.00 C ATOM 239 CD LYS A 17 6.383 2.633 -2.711 1.00 0.00 C ATOM 240 CE LYS A 17 5.957 1.917 -3.980 1.00 0.00 C ATOM 241 NZ LYS A 17 7.096 1.664 -4.879 1.00 0.00 N ATOM 0 H LYS A 17 7.745 1.713 2.129 1.00 0.00 H new ATOM 0 HA LYS A 17 6.102 3.313 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.076 3.577 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.759 2.073 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.347 1.756 -2.599 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.108 0.840 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.519 2.771 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.757 3.626 -2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.483 0.971 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.210 2.516 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.901 2.080 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.955 2.094 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.237 0.639 -4.980 1.00 0.00 H new ATOM 255 N VAL A 18 4.807 1.229 -0.173 1.00 0.00 N ATOM 256 CA VAL A 18 3.958 0.055 -0.335 1.00 0.00 C ATOM 257 C VAL A 18 3.511 -0.071 -1.772 1.00 0.00 C ATOM 258 O VAL A 18 3.188 0.956 -2.376 1.00 0.00 O ATOM 259 CB VAL A 18 2.728 0.214 0.543 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.583 -0.696 0.092 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.099 -0.089 1.986 1.00 0.00 C ATOM 0 H VAL A 18 4.412 2.082 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 18 4.521 -0.835 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 18 2.378 1.243 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.723 -0.551 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.305 -0.450 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.904 -1.736 0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.219 0.024 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.470 -1.111 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.874 0.603 2.315 1.00 0.00 H new ATOM 271 N ASP A 19 3.502 -1.327 -2.249 1.00 0.00 N ATOM 272 CA ASP A 19 3.317 -1.770 -3.631 1.00 0.00 C ATOM 273 C ASP A 19 2.295 -2.912 -3.724 1.00 0.00 C ATOM 274 O ASP A 19 1.742 -3.355 -2.719 1.00 0.00 O ATOM 275 CB ASP A 19 4.651 -2.310 -4.169 1.00 0.00 C ATOM 276 CG ASP A 19 5.755 -1.270 -4.288 1.00 0.00 C ATOM 277 OD1 ASP A 19 6.464 -1.054 -3.280 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.884 -0.704 -5.394 1.00 0.00 O ATOM 0 H ASP A 19 3.635 -2.120 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 19 2.962 -0.915 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.994 -3.111 -3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.479 -2.752 -5.150 1.00 0.00 H new ATOM 283 N ASN A 20 2.065 -3.375 -4.960 1.00 0.00 N ATOM 284 CA ASN A 20 1.180 -4.469 -5.347 1.00 0.00 C ATOM 285 C ASN A 20 -0.302 -4.165 -5.110 1.00 0.00 C ATOM 286 O ASN A 20 -0.742 -4.058 -3.968 1.00 0.00 O ATOM 287 CB ASN A 20 1.617 -5.780 -4.702 1.00 0.00 C ATOM 288 CG ASN A 20 1.151 -6.971 -5.531 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.025 -6.881 -6.749 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.888 -8.100 -4.887 1.00 0.00 N ATOM 0 H ASN A 20 2.528 -2.962 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 20 1.276 -4.582 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.703 -5.800 -4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.207 -5.849 -3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.573 -8.921 -5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.001 -8.148 -3.874 1.00 0.00 H new ATOM 297 N LEU A 21 -1.064 -4.033 -6.203 1.00 0.00 N ATOM 298 CA LEU A 21 -2.485 -3.708 -6.179 1.00 0.00 C ATOM 299 C LEU A 21 -3.302 -4.639 -7.070 1.00 0.00 C ATOM 300 O LEU A 21 -2.760 -5.478 -7.785 1.00 0.00 O ATOM 301 CB LEU A 21 -2.698 -2.274 -6.666 1.00 0.00 C ATOM 302 CG LEU A 21 -1.861 -1.240 -5.916 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.218 0.128 -6.478 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.114 -1.245 -4.414 1.00 0.00 C ATOM 0 H LEU A 21 -0.696 -4.153 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.821 -3.825 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.458 -2.221 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.753 -2.018 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.808 -1.483 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.638 0.895 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.991 0.154 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.281 0.317 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.490 -0.489 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.164 -1.024 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.870 -2.226 -4.007 1.00 0.00 H new ATOM 316 N THR A 22 -4.626 -4.466 -7.013 1.00 0.00 N ATOM 317 CA THR A 22 -5.581 -5.184 -7.847 1.00 0.00 C ATOM 318 C THR A 22 -6.500 -4.207 -8.570 1.00 0.00 C ATOM 319 O THR A 22 -7.600 -4.593 -8.948 1.00 0.00 O ATOM 320 CB THR A 22 -6.404 -6.180 -7.019 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.196 -6.989 -7.862 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.302 -5.491 -5.991 1.00 0.00 C ATOM 0 H THR A 22 -5.068 -3.808 -6.371 1.00 0.00 H new ATOM 0 HA THR A 22 -5.017 -5.749 -8.589 1.00 0.00 H new ATOM 0 HB THR A 22 -5.688 -6.796 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.684 -6.422 -8.495 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.861 -6.243 -5.434 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.688 -4.911 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.998 -4.827 -6.503 1.00 0.00 H new ATOM 329 N TYR A 23 -6.058 -2.954 -8.760 1.00 0.00 N ATOM 330 CA TYR A 23 -6.794 -1.917 -9.486 1.00 0.00 C ATOM 331 C TYR A 23 -7.964 -1.335 -8.696 1.00 0.00 C ATOM 332 O TYR A 23 -8.586 -0.364 -9.128 1.00 0.00 O ATOM 333 CB TYR A 23 -7.216 -2.451 -10.857 1.00 0.00 C ATOM 334 CG TYR A 23 -8.680 -2.298 -11.202 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.652 -3.081 -10.560 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.066 -1.355 -12.166 1.00 0.00 C ATOM 337 CE1 TYR A 23 -11.008 -2.934 -10.891 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.417 -1.197 -12.501 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.396 -1.988 -11.862 1.00 0.00 C ATOM 340 OH TYR A 23 -12.711 -1.833 -12.181 1.00 0.00 O ATOM 0 H TYR A 23 -5.159 -2.630 -8.404 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.120 -1.073 -9.633 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.627 -1.942 -11.621 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.959 -3.509 -10.908 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.356 -3.799 -9.809 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.317 -0.747 -12.653 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.753 -3.545 -10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.709 -0.472 -13.246 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.802 -1.139 -12.867 1.00 0.00 H new ATOM 350 N ARG A 24 -8.262 -1.922 -7.536 1.00 0.00 N ATOM 351 CA ARG A 24 -9.406 -1.525 -6.723 1.00 0.00 C ATOM 352 C ARG A 24 -9.059 -1.372 -5.241 1.00 0.00 C ATOM 353 O ARG A 24 -9.905 -0.954 -4.457 1.00 0.00 O ATOM 354 CB ARG A 24 -10.506 -2.560 -6.973 1.00 0.00 C ATOM 355 CG ARG A 24 -11.809 -2.247 -6.235 1.00 0.00 C ATOM 356 CD ARG A 24 -12.901 -3.207 -6.704 1.00 0.00 C ATOM 357 NE ARG A 24 -14.162 -2.958 -5.999 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.283 -3.659 -6.202 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.317 -4.659 -7.080 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.386 -3.357 -5.521 1.00 0.00 N ATOM 0 H ARG A 24 -7.716 -2.685 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.749 -0.532 -7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.707 -2.616 -8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.148 -3.542 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.663 -2.343 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.109 -1.217 -6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.053 -3.094 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.583 -4.236 -6.534 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.186 -2.204 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.480 -4.901 -7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.180 -5.183 -7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.375 -2.592 -4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.242 -3.890 -5.674 1.00 0.00 H new ATOM 374 N THR A 25 -7.824 -1.700 -4.842 1.00 0.00 N ATOM 375 CA THR A 25 -7.399 -1.509 -3.458 1.00 0.00 C ATOM 376 C THR A 25 -7.484 -0.040 -3.050 1.00 0.00 C ATOM 377 O THR A 25 -7.915 0.249 -1.936 1.00 0.00 O ATOM 378 CB THR A 25 -5.977 -2.040 -3.290 1.00 0.00 C ATOM 379 OG1 THR A 25 -6.000 -3.441 -3.449 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.439 -1.734 -1.899 1.00 0.00 C ATOM 0 H THR A 25 -7.110 -2.095 -5.455 1.00 0.00 H new ATOM 0 HA THR A 25 -8.070 -2.064 -2.803 1.00 0.00 H new ATOM 0 HB THR A 25 -5.338 -1.562 -4.033 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.305 -3.860 -2.617 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.425 -2.123 -1.807 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.429 -0.655 -1.742 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.077 -2.204 -1.151 1.00 0.00 H new ATOM 387 N SER A 26 -7.087 0.876 -3.939 1.00 0.00 N ATOM 388 CA SER A 26 -7.145 2.323 -3.735 1.00 0.00 C ATOM 389 C SER A 26 -6.351 2.837 -2.516 1.00 0.00 C ATOM 390 O SER A 26 -6.065 2.100 -1.574 1.00 0.00 O ATOM 391 CB SER A 26 -8.617 2.737 -3.658 1.00 0.00 C ATOM 392 OG SER A 26 -9.234 2.493 -4.909 1.00 0.00 O ATOM 0 H SER A 26 -6.704 0.620 -4.849 1.00 0.00 H new ATOM 0 HA SER A 26 -6.651 2.792 -4.586 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.124 2.176 -2.873 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.697 3.793 -3.399 1.00 0.00 H new ATOM 0 HG SER A 26 -10.177 2.755 -4.865 1.00 0.00 H new ATOM 398 N PRO A 27 -5.987 4.132 -2.528 1.00 0.00 N ATOM 399 CA PRO A 27 -5.234 4.779 -1.455 1.00 0.00 C ATOM 400 C PRO A 27 -6.039 4.852 -0.161 1.00 0.00 C ATOM 401 O PRO A 27 -5.461 4.947 0.916 1.00 0.00 O ATOM 402 CB PRO A 27 -4.911 6.180 -1.971 1.00 0.00 C ATOM 403 CG PRO A 27 -5.920 6.440 -3.086 1.00 0.00 C ATOM 404 CD PRO A 27 -6.276 5.054 -3.606 1.00 0.00 C ATOM 0 HA PRO A 27 -4.334 4.214 -1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.001 6.922 -1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.889 6.236 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.800 6.962 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.492 7.061 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.327 5.003 -3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.693 4.810 -4.494 1.00 0.00 H new ATOM 412 N ASP A 28 -7.369 4.804 -0.256 1.00 0.00 N ATOM 413 CA ASP A 28 -8.247 4.892 0.897 1.00 0.00 C ATOM 414 C ASP A 28 -8.107 3.671 1.805 1.00 0.00 C ATOM 415 O ASP A 28 -7.941 3.804 3.024 1.00 0.00 O ATOM 416 CB ASP A 28 -9.678 4.977 0.373 1.00 0.00 C ATOM 417 CG ASP A 28 -9.931 6.302 -0.339 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.255 7.284 0.367 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.801 6.324 -1.583 1.00 0.00 O ATOM 0 H ASP A 28 -7.863 4.702 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.984 5.768 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.866 4.151 -0.314 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.378 4.868 1.202 1.00 0.00 H new ATOM 424 N THR A 29 -8.168 2.474 1.216 1.00 0.00 N ATOM 425 CA THR A 29 -8.092 1.252 1.993 1.00 0.00 C ATOM 426 C THR A 29 -6.694 1.146 2.564 1.00 0.00 C ATOM 427 O THR A 29 -6.521 0.771 3.720 1.00 0.00 O ATOM 428 CB THR A 29 -8.365 0.040 1.103 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.580 0.233 0.407 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.476 -1.234 1.936 1.00 0.00 C ATOM 0 H THR A 29 -8.269 2.334 0.211 1.00 0.00 H new ATOM 0 HA THR A 29 -8.836 1.274 2.789 1.00 0.00 H new ATOM 0 HB THR A 29 -7.536 -0.064 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.400 0.297 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.670 -2.082 1.280 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.543 -1.399 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.294 -1.132 2.649 1.00 0.00 H new ATOM 437 N LEU A 30 -5.690 1.480 1.753 1.00 0.00 N ATOM 438 CA LEU A 30 -4.312 1.431 2.198 1.00 0.00 C ATOM 439 C LEU A 30 -4.099 2.405 3.351 1.00 0.00 C ATOM 440 O LEU A 30 -3.259 2.158 4.209 1.00 0.00 O ATOM 441 CB LEU A 30 -3.392 1.804 1.036 1.00 0.00 C ATOM 442 CG LEU A 30 -3.482 0.815 -0.119 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.838 1.450 -1.347 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.754 -0.486 0.221 1.00 0.00 C ATOM 0 H LEU A 30 -5.813 1.786 0.788 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.082 0.422 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.650 2.801 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.363 1.850 1.392 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.529 0.580 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.892 0.756 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.366 2.369 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.794 1.679 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.832 -1.177 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.704 -0.274 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.207 -0.936 1.104 1.00 0.00 H new ATOM 456 N ARG A 31 -4.854 3.508 3.388 1.00 0.00 N ATOM 457 CA ARG A 31 -4.677 4.500 4.432 1.00 0.00 C ATOM 458 C ARG A 31 -4.943 3.869 5.789 1.00 0.00 C ATOM 459 O ARG A 31 -4.087 3.907 6.667 1.00 0.00 O ATOM 460 CB ARG A 31 -5.635 5.676 4.198 1.00 0.00 C ATOM 461 CG ARG A 31 -5.105 7.006 4.743 1.00 0.00 C ATOM 462 CD ARG A 31 -4.569 6.894 6.168 1.00 0.00 C ATOM 463 NE ARG A 31 -4.190 8.213 6.681 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.995 9.018 7.381 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.244 8.665 7.656 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.538 10.193 7.812 1.00 0.00 N ATOM 0 H ARG A 31 -5.584 3.727 2.710 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.652 4.870 4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.821 5.777 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.593 5.454 4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.312 7.370 4.090 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.904 7.747 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.327 6.451 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.706 6.229 6.186 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.243 8.541 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.603 7.767 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.845 9.292 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.579 10.473 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.147 10.812 8.347 1.00 0.00 H new ATOM 480 N ARG A 32 -6.128 3.286 5.960 1.00 0.00 N ATOM 481 CA ARG A 32 -6.517 2.700 7.240 1.00 0.00 C ATOM 482 C ARG A 32 -5.958 1.293 7.435 1.00 0.00 C ATOM 483 O ARG A 32 -6.111 0.720 8.514 1.00 0.00 O ATOM 484 CB ARG A 32 -8.043 2.711 7.334 1.00 0.00 C ATOM 485 CG ARG A 32 -8.663 1.835 6.240 1.00 0.00 C ATOM 486 CD ARG A 32 -9.933 2.490 5.708 1.00 0.00 C ATOM 487 NE ARG A 32 -10.952 2.639 6.756 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.114 3.270 6.583 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.429 3.816 5.411 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.976 3.363 7.593 1.00 0.00 N ATOM 0 H ARG A 32 -6.835 3.207 5.229 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.090 3.300 8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.354 2.350 8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.410 3.733 7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.950 1.692 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.893 0.847 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.691 3.469 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.336 1.891 4.892 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.759 2.235 7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.778 3.755 4.629 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.322 4.295 5.295 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.747 2.952 8.498 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.865 3.845 7.462 1.00 0.00 H new ATOM 504 N VAL A 33 -5.314 0.736 6.407 1.00 0.00 N ATOM 505 CA VAL A 33 -4.628 -0.551 6.496 1.00 0.00 C ATOM 506 C VAL A 33 -3.173 -0.367 6.929 1.00 0.00 C ATOM 507 O VAL A 33 -2.524 -1.332 7.325 1.00 0.00 O ATOM 508 CB VAL A 33 -4.698 -1.229 5.129 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.644 -2.318 4.935 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.071 -1.881 5.000 1.00 0.00 C ATOM 0 H VAL A 33 -5.255 1.169 5.485 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.115 -1.173 7.247 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.517 -0.462 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.752 -2.756 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.649 -1.883 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.778 -3.092 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.150 -2.374 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.200 -2.617 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.845 -1.118 5.083 1.00 0.00 H new ATOM 520 N PHE A 34 -2.658 0.858 6.860 1.00 0.00 N ATOM 521 CA PHE A 34 -1.268 1.119 7.176 1.00 0.00 C ATOM 522 C PHE A 34 -1.122 2.153 8.280 1.00 0.00 C ATOM 523 O PHE A 34 -0.249 2.015 9.132 1.00 0.00 O ATOM 524 CB PHE A 34 -0.566 1.587 5.901 1.00 0.00 C ATOM 525 CG PHE A 34 -0.060 0.450 5.064 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.135 -0.173 5.428 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.772 0.013 3.944 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.623 -1.253 4.681 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.281 -1.055 3.184 1.00 0.00 C ATOM 530 CZ PHE A 34 0.911 -1.697 3.560 1.00 0.00 C ATOM 0 H PHE A 34 -3.190 1.684 6.586 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.809 0.202 7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.258 2.187 5.310 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.269 2.235 6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.685 0.179 6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.697 0.497 3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.543 -1.740 4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.819 -1.386 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.278 -2.533 2.984 1.00 0.00 H new ATOM 540 N GLU A 35 -1.962 3.185 8.288 1.00 0.00 N ATOM 541 CA GLU A 35 -1.858 4.183 9.335 1.00 0.00 C ATOM 542 C GLU A 35 -2.235 3.579 10.681 1.00 0.00 C ATOM 543 O GLU A 35 -1.922 4.134 11.730 1.00 0.00 O ATOM 544 CB GLU A 35 -2.720 5.413 9.011 1.00 0.00 C ATOM 545 CG GLU A 35 -4.186 5.273 9.420 1.00 0.00 C ATOM 546 CD GLU A 35 -4.425 5.601 10.894 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.921 6.657 11.341 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.114 4.797 11.562 1.00 0.00 O ATOM 0 H GLU A 35 -2.699 3.346 7.602 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.822 4.518 9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.296 6.283 9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.670 5.606 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.795 5.933 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.518 4.254 9.221 1.00 0.00 H new ATOM 555 N LYS A 36 -2.918 2.429 10.642 1.00 0.00 N ATOM 556 CA LYS A 36 -3.402 1.758 11.829 1.00 0.00 C ATOM 557 C LYS A 36 -2.261 1.382 12.755 1.00 0.00 C ATOM 558 O LYS A 36 -2.421 1.369 13.974 1.00 0.00 O ATOM 559 CB LYS A 36 -4.178 0.507 11.418 1.00 0.00 C ATOM 560 CG LYS A 36 -3.267 -0.526 10.752 1.00 0.00 C ATOM 561 CD LYS A 36 -4.053 -1.649 10.071 1.00 0.00 C ATOM 562 CE LYS A 36 -5.119 -2.228 10.996 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.725 -3.440 10.413 1.00 0.00 N ATOM 0 H LYS A 36 -3.146 1.944 9.774 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.057 2.440 12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.649 0.065 12.296 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.978 0.783 10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.638 -0.028 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.602 -0.955 11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.524 -1.267 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.368 -2.439 9.764 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.675 -2.468 11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.893 -1.482 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.447 -3.814 11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.168 -3.203 9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.988 -4.159 10.263 1.00 0.00 H new ATOM 577 N TYR A 37 -1.096 1.077 12.175 1.00 0.00 N ATOM 578 CA TYR A 37 0.064 0.720 12.965 1.00 0.00 C ATOM 579 C TYR A 37 0.695 1.950 13.623 1.00 0.00 C ATOM 580 O TYR A 37 1.408 1.821 14.617 1.00 0.00 O ATOM 581 CB TYR A 37 1.084 0.025 12.071 1.00 0.00 C ATOM 582 CG TYR A 37 0.550 -1.267 11.510 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.662 -2.443 12.266 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.066 -1.290 10.254 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.146 -3.649 11.767 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.577 -2.490 9.749 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.479 -3.675 10.506 1.00 0.00 C ATOM 588 OH TYR A 37 -0.989 -4.842 10.020 1.00 0.00 O ATOM 0 H TYR A 37 -0.941 1.073 11.167 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.254 0.047 13.761 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.362 0.689 11.252 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.991 -0.174 12.642 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.145 -2.421 13.232 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.147 -0.382 9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.228 -4.555 12.349 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.048 -2.509 8.777 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.010 -4.807 9.041 1.00 0.00 H new ATOM 598 N GLY A 38 0.427 3.134 13.071 1.00 0.00 N ATOM 599 CA GLY A 38 0.865 4.377 13.691 1.00 0.00 C ATOM 600 C GLY A 38 0.337 5.590 12.938 1.00 0.00 C ATOM 601 O GLY A 38 -0.434 6.368 13.497 1.00 0.00 O ATOM 0 H GLY A 38 -0.089 3.254 12.200 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.521 4.411 14.725 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.954 4.409 13.716 1.00 0.00 H new ATOM 605 N ARG A 39 0.742 5.756 11.673 1.00 0.00 N ATOM 606 CA ARG A 39 0.253 6.837 10.828 1.00 0.00 C ATOM 607 C ARG A 39 0.697 6.623 9.389 1.00 0.00 C ATOM 608 O ARG A 39 1.542 5.775 9.115 1.00 0.00 O ATOM 609 CB ARG A 39 0.810 8.176 11.335 1.00 0.00 C ATOM 610 CG ARG A 39 -0.104 9.363 11.029 1.00 0.00 C ATOM 611 CD ARG A 39 -1.448 9.187 11.724 1.00 0.00 C ATOM 612 NE ARG A 39 -2.239 10.420 11.654 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.577 10.465 11.698 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.309 9.357 11.781 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.195 11.644 11.658 1.00 0.00 N ATOM 0 H ARG A 39 1.416 5.144 11.213 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.836 6.849 10.868 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.965 8.113 12.412 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.786 8.351 10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.367 10.288 11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.252 9.449 9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.999 8.370 11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.289 8.911 12.766 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.736 11.303 11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.853 8.445 11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.327 9.419 11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.650 12.504 11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.214 11.687 11.691 1.00 0.00 H new ATOM 629 N VAL A 40 0.116 7.405 8.479 1.00 0.00 N ATOM 630 CA VAL A 40 0.479 7.406 7.070 1.00 0.00 C ATOM 631 C VAL A 40 0.693 8.850 6.640 1.00 0.00 C ATOM 632 O VAL A 40 -0.259 9.581 6.370 1.00 0.00 O ATOM 633 CB VAL A 40 -0.618 6.721 6.249 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.420 6.940 4.759 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.578 5.210 6.437 1.00 0.00 C ATOM 0 H VAL A 40 -0.629 8.063 8.707 1.00 0.00 H new ATOM 0 HA VAL A 40 1.400 6.847 6.903 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.557 7.152 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.217 6.440 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.444 8.008 4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.543 6.530 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.367 4.748 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.390 4.829 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.729 4.970 7.490 1.00 0.00 H new ATOM 645 N GLY A 41 1.963 9.246 6.579 1.00 0.00 N ATOM 646 CA GLY A 41 2.360 10.572 6.132 1.00 0.00 C ATOM 647 C GLY A 41 1.942 10.846 4.688 1.00 0.00 C ATOM 648 O GLY A 41 1.718 11.998 4.321 1.00 0.00 O ATOM 0 H GLY A 41 2.748 8.649 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.914 11.322 6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.442 10.674 6.221 1.00 0.00 H new ATOM 652 N ASP A 42 1.832 9.794 3.871 1.00 0.00 N ATOM 653 CA ASP A 42 1.469 9.901 2.466 1.00 0.00 C ATOM 654 C ASP A 42 0.839 8.593 2.000 1.00 0.00 C ATOM 655 O ASP A 42 1.262 7.515 2.411 1.00 0.00 O ATOM 656 CB ASP A 42 2.739 10.145 1.648 1.00 0.00 C ATOM 657 CG ASP A 42 3.230 11.583 1.745 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.508 12.474 1.242 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.324 11.777 2.318 1.00 0.00 O ATOM 0 H ASP A 42 1.996 8.835 4.177 1.00 0.00 H new ATOM 0 HA ASP A 42 0.762 10.720 2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.524 9.473 1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.547 9.900 0.603 1.00 0.00 H new ATOM 664 N VAL A 43 -0.175 8.674 1.134 1.00 0.00 N ATOM 665 CA VAL A 43 -0.799 7.487 0.572 1.00 0.00 C ATOM 666 C VAL A 43 -1.345 7.850 -0.804 1.00 0.00 C ATOM 667 O VAL A 43 -2.269 8.648 -0.929 1.00 0.00 O ATOM 668 CB VAL A 43 -1.853 6.929 1.551 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.291 7.335 1.256 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.779 5.408 1.653 1.00 0.00 C ATOM 0 H VAL A 43 -0.577 9.554 0.810 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.083 6.677 0.434 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.587 7.389 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.954 6.892 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.377 8.421 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.572 6.983 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.537 5.053 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.956 4.968 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.791 5.115 2.009 1.00 0.00 H new ATOM 680 N TYR A 44 -0.765 7.260 -1.851 1.00 0.00 N ATOM 681 CA TYR A 44 -1.242 7.496 -3.204 1.00 0.00 C ATOM 682 C TYR A 44 -0.884 6.340 -4.128 1.00 0.00 C ATOM 683 O TYR A 44 -0.099 5.470 -3.761 1.00 0.00 O ATOM 684 CB TYR A 44 -0.672 8.812 -3.741 1.00 0.00 C ATOM 685 CG TYR A 44 0.698 8.698 -4.376 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.862 8.815 -3.602 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.792 8.472 -5.756 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.122 8.743 -4.216 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.044 8.382 -6.376 1.00 0.00 C ATOM 690 CZ TYR A 44 3.216 8.531 -5.608 1.00 0.00 C ATOM 691 OH TYR A 44 4.440 8.474 -6.207 1.00 0.00 O ATOM 0 H TYR A 44 0.028 6.622 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.329 7.568 -3.173 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.366 9.219 -4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.619 9.530 -2.922 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.789 8.960 -2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.107 8.367 -6.345 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.019 8.850 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.111 8.199 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 44 4.912 7.668 -5.910 1.00 0.00 H new ATOM 701 N ILE A 45 -1.465 6.341 -5.330 1.00 0.00 N ATOM 702 CA ILE A 45 -1.241 5.297 -6.315 1.00 0.00 C ATOM 703 C ILE A 45 -0.744 5.956 -7.608 1.00 0.00 C ATOM 704 O ILE A 45 -1.490 6.695 -8.246 1.00 0.00 O ATOM 705 CB ILE A 45 -2.536 4.503 -6.549 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.876 3.503 -5.439 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.389 3.669 -7.825 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.100 4.136 -4.074 1.00 0.00 C ATOM 0 H ILE A 45 -2.105 7.071 -5.642 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.489 4.591 -5.961 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.326 5.253 -6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.773 2.953 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.068 2.776 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.304 3.103 -7.997 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.206 4.330 -8.672 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.552 2.980 -7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.335 3.359 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.197 4.661 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.929 4.842 -4.132 1.00 0.00 H new ATOM 720 N PRO A 46 0.514 5.692 -8.002 1.00 0.00 N ATOM 721 CA PRO A 46 1.131 6.156 -9.243 1.00 0.00 C ATOM 722 C PRO A 46 0.574 5.429 -10.473 1.00 0.00 C ATOM 723 O PRO A 46 1.333 4.915 -11.296 1.00 0.00 O ATOM 724 CB PRO A 46 2.627 5.902 -9.062 1.00 0.00 C ATOM 725 CG PRO A 46 2.662 4.699 -8.130 1.00 0.00 C ATOM 726 CD PRO A 46 1.460 4.916 -7.227 1.00 0.00 C ATOM 0 HA PRO A 46 0.918 7.209 -9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.118 5.691 -10.012 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.133 6.764 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.586 3.762 -8.681 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.590 4.659 -7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.026 3.965 -6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.746 5.444 -6.317 1.00 0.00 H new ATOM 900 N GLY A 56 -0.085 -1.349 -11.204 1.00 0.00 N ATOM 901 CA GLY A 56 -0.142 -2.543 -10.371 1.00 0.00 C ATOM 902 C GLY A 56 0.510 -2.343 -9.003 1.00 0.00 C ATOM 903 O GLY A 56 0.769 -3.323 -8.311 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.183 -2.835 -10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.353 -3.365 -10.888 1.00 0.00 H new ATOM 907 N PHE A 57 0.780 -1.096 -8.603 1.00 0.00 N ATOM 908 CA PHE A 57 1.426 -0.813 -7.327 1.00 0.00 C ATOM 909 C PHE A 57 0.981 0.541 -6.788 1.00 0.00 C ATOM 910 O PHE A 57 0.562 1.416 -7.546 1.00 0.00 O ATOM 911 CB PHE A 57 2.949 -0.848 -7.493 1.00 0.00 C ATOM 912 CG PHE A 57 3.572 0.387 -8.115 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.402 0.675 -9.478 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.325 1.252 -7.310 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.997 1.821 -10.024 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.916 2.400 -7.856 1.00 0.00 C ATOM 917 CZ PHE A 57 4.749 2.689 -9.216 1.00 0.00 C ATOM 0 H PHE A 57 0.558 -0.265 -9.152 1.00 0.00 H new ATOM 0 HA PHE A 57 1.131 -1.578 -6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.399 -1.005 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.209 -1.711 -8.105 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.816 0.017 -10.103 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.451 1.032 -6.260 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.876 2.038 -11.075 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.498 3.060 -7.230 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.196 3.575 -9.641 1.00 0.00 H new ATOM 927 N ALA A 58 1.077 0.694 -5.466 1.00 0.00 N ATOM 928 CA ALA A 58 0.727 1.917 -4.775 1.00 0.00 C ATOM 929 C ALA A 58 2.004 2.601 -4.321 1.00 0.00 C ATOM 930 O ALA A 58 3.093 2.284 -4.798 1.00 0.00 O ATOM 931 CB ALA A 58 -0.167 1.592 -3.577 1.00 0.00 C ATOM 0 H ALA A 58 1.406 -0.045 -4.844 1.00 0.00 H new ATOM 0 HA ALA A 58 0.179 2.584 -5.440 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.429 2.514 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.075 1.100 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.366 0.930 -2.894 1.00 0.00 H new ATOM 937 N PHE A 59 1.861 3.541 -3.393 1.00 0.00 N ATOM 938 CA PHE A 59 2.976 4.257 -2.827 1.00 0.00 C ATOM 939 C PHE A 59 2.525 4.843 -1.516 1.00 0.00 C ATOM 940 O PHE A 59 2.404 6.060 -1.373 1.00 0.00 O ATOM 941 CB PHE A 59 3.440 5.314 -3.829 1.00 0.00 C ATOM 942 CG PHE A 59 4.913 5.643 -3.791 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.615 5.777 -2.581 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.587 5.806 -5.011 1.00 0.00 C ATOM 945 CE1 PHE A 59 6.983 6.087 -2.596 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.950 6.108 -5.027 1.00 0.00 C ATOM 947 CZ PHE A 59 7.649 6.252 -3.819 1.00 0.00 C ATOM 0 H PHE A 59 0.956 3.823 -3.016 1.00 0.00 H new ATOM 0 HA PHE A 59 3.830 3.609 -2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.187 4.973 -4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.876 6.230 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.102 5.641 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.049 5.697 -5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.522 6.198 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.466 6.231 -5.968 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.702 6.490 -3.831 1.00 0.00 H new ATOM 957 N VAL A 60 2.267 3.965 -0.543 1.00 0.00 N ATOM 958 CA VAL A 60 2.074 4.555 0.777 1.00 0.00 C ATOM 959 C VAL A 60 3.456 4.972 1.245 1.00 0.00 C ATOM 960 O VAL A 60 4.418 4.272 0.942 1.00 0.00 O ATOM 961 CB VAL A 60 1.394 3.651 1.808 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.301 2.749 1.237 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.368 2.931 2.739 1.00 0.00 C ATOM 0 H VAL A 60 2.193 2.951 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 60 1.380 5.390 0.688 1.00 0.00 H new ATOM 0 HB VAL A 60 0.854 4.345 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.126 2.144 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.481 3.363 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.729 2.096 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.810 2.310 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.036 2.302 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.954 3.666 3.292 1.00 0.00 H new ATOM 973 N ARG A 61 3.573 6.084 1.968 1.00 0.00 N ATOM 974 CA ARG A 61 4.854 6.542 2.477 1.00 0.00 C ATOM 975 C ARG A 61 4.714 7.049 3.887 1.00 0.00 C ATOM 976 O ARG A 61 3.795 7.790 4.226 1.00 0.00 O ATOM 977 CB ARG A 61 5.510 7.545 1.520 1.00 0.00 C ATOM 978 CG ARG A 61 6.440 8.518 2.252 1.00 0.00 C ATOM 979 CD ARG A 61 7.113 9.438 1.239 1.00 0.00 C ATOM 980 NE ARG A 61 8.252 10.151 1.836 1.00 0.00 N ATOM 981 CZ ARG A 61 8.162 11.227 2.630 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.990 11.772 2.937 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.274 11.766 3.120 1.00 0.00 N ATOM 0 H ARG A 61 2.786 6.685 2.213 1.00 0.00 H new ATOM 0 HA ARG A 61 5.539 5.696 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.076 7.004 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.735 8.108 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.873 9.107 2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.193 7.965 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.455 8.853 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.388 10.159 0.862 1.00 0.00 H new ATOM 0 HE ARG A 61 9.186 9.798 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.128 11.371 2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.952 12.591 3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.181 11.361 2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.220 12.585 3.726 1.00 0.00 H new ATOM 997 N PHE A 62 5.672 6.613 4.698 1.00 0.00 N ATOM 998 CA PHE A 62 5.660 6.943 6.113 1.00 0.00 C ATOM 999 C PHE A 62 6.750 7.951 6.404 1.00 0.00 C ATOM 1000 O PHE A 62 7.838 7.871 5.831 1.00 0.00 O ATOM 1001 CB PHE A 62 5.838 5.705 6.975 1.00 0.00 C ATOM 1002 CG PHE A 62 4.605 4.839 7.099 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.695 4.675 6.037 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.368 4.200 8.322 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.544 3.893 6.199 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.233 3.403 8.481 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.328 3.248 7.426 1.00 0.00 C ATOM 0 H PHE A 62 6.459 6.036 4.401 1.00 0.00 H new ATOM 0 HA PHE A 62 4.689 7.374 6.359 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.647 5.104 6.561 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.149 6.015 7.972 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.886 5.156 5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.062 4.323 9.141 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.834 3.788 5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.053 2.904 9.422 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.455 2.626 7.557 1.00 0.00 H new ATOM 1017 N HIS A 63 6.414 8.874 7.309 1.00 0.00 N ATOM 1018 CA HIS A 63 7.237 9.978 7.779 1.00 0.00 C ATOM 1019 C HIS A 63 8.099 9.559 8.969 1.00 0.00 C ATOM 1020 O HIS A 63 8.917 10.344 9.442 1.00 0.00 O ATOM 1021 CB HIS A 63 6.285 11.105 8.193 1.00 0.00 C ATOM 1022 CG HIS A 63 5.223 10.615 9.153 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.415 9.625 10.117 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.927 11.040 9.214 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.232 9.463 10.722 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.324 10.310 10.213 1.00 0.00 N ATOM 0 H HIS A 63 5.499 8.864 7.759 1.00 0.00 H new ATOM 0 HA HIS A 63 7.915 10.302 6.989 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.854 11.909 8.659 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.809 11.524 7.306 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.466 11.799 8.600 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.036 8.750 11.509 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.354 10.398 10.515 1.00 0.00 H new ATOM 1034 N ASP A 64 7.909 8.328 9.459 1.00 0.00 N ATOM 1035 CA ASP A 64 8.603 7.823 10.627 1.00 0.00 C ATOM 1036 C ASP A 64 8.819 6.322 10.473 1.00 0.00 C ATOM 1037 O ASP A 64 7.867 5.542 10.458 1.00 0.00 O ATOM 1038 CB ASP A 64 7.786 8.139 11.881 1.00 0.00 C ATOM 1039 CG ASP A 64 8.537 7.800 13.166 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.497 7.001 13.088 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.145 8.346 14.220 1.00 0.00 O ATOM 0 H ASP A 64 7.262 7.657 9.045 1.00 0.00 H new ATOM 0 HA ASP A 64 9.577 8.303 10.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.525 9.197 11.884 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.850 7.580 11.852 1.00 0.00 H new ATOM 1046 N LYS A 65 10.087 5.926 10.361 1.00 0.00 N ATOM 1047 CA LYS A 65 10.491 4.540 10.176 1.00 0.00 C ATOM 1048 C LYS A 65 9.974 3.614 11.273 1.00 0.00 C ATOM 1049 O LYS A 65 9.862 2.415 11.045 1.00 0.00 O ATOM 1050 CB LYS A 65 12.012 4.462 10.093 1.00 0.00 C ATOM 1051 CG LYS A 65 12.679 4.721 11.445 1.00 0.00 C ATOM 1052 CD LYS A 65 14.147 5.125 11.261 1.00 0.00 C ATOM 1053 CE LYS A 65 14.902 4.108 10.405 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.280 4.562 10.161 1.00 0.00 N ATOM 0 H LYS A 65 10.873 6.575 10.398 1.00 0.00 H new ATOM 0 HA LYS A 65 10.043 4.194 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.304 3.477 9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.372 5.190 9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.144 5.510 11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.619 3.825 12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.200 6.108 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.627 5.211 12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.915 3.140 10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.385 3.968 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.779 3.860 9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.262 5.475 9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.775 4.673 11.069 1.00 0.00 H new ATOM 1068 N ARG A 66 9.655 4.140 12.460 1.00 0.00 N ATOM 1069 CA ARG A 66 9.179 3.304 13.556 1.00 0.00 C ATOM 1070 C ARG A 66 7.769 2.800 13.270 1.00 0.00 C ATOM 1071 O ARG A 66 7.475 1.617 13.456 1.00 0.00 O ATOM 1072 CB ARG A 66 9.211 4.117 14.852 1.00 0.00 C ATOM 1073 CG ARG A 66 10.625 4.604 15.184 1.00 0.00 C ATOM 1074 CD ARG A 66 11.618 3.445 15.276 1.00 0.00 C ATOM 1075 NE ARG A 66 12.943 3.909 15.699 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.085 3.258 15.447 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.085 2.112 14.770 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.241 3.756 15.879 1.00 0.00 N ATOM 0 H ARG A 66 9.719 5.134 12.681 1.00 0.00 H new ATOM 0 HA ARG A 66 9.828 2.434 13.660 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.544 4.974 14.760 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.835 3.507 15.673 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.956 5.307 14.419 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.610 5.146 16.130 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.248 2.702 15.983 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.695 2.952 14.307 1.00 0.00 H new ATOM 0 HE ARG A 66 12.998 4.785 16.219 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.206 1.718 14.435 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.964 1.628 14.586 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.256 4.632 16.401 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.112 3.262 15.688 1.00 0.00 H new ATOM 1092 N ASP A 67 6.890 3.695 12.812 1.00 0.00 N ATOM 1093 CA ASP A 67 5.543 3.300 12.438 1.00 0.00 C ATOM 1094 C ASP A 67 5.596 2.449 11.170 1.00 0.00 C ATOM 1095 O ASP A 67 4.723 1.615 10.941 1.00 0.00 O ATOM 1096 CB ASP A 67 4.685 4.546 12.204 1.00 0.00 C ATOM 1097 CG ASP A 67 4.543 5.392 13.466 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.417 4.795 14.560 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.557 6.636 13.324 1.00 0.00 O ATOM 0 H ASP A 67 7.091 4.688 12.694 1.00 0.00 H new ATOM 0 HA ASP A 67 5.098 2.714 13.242 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.131 5.149 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.697 4.245 11.857 1.00 0.00 H new ATOM 1104 N ALA A 68 6.632 2.664 10.350 1.00 0.00 N ATOM 1105 CA ALA A 68 6.821 1.923 9.122 1.00 0.00 C ATOM 1106 C ALA A 68 7.363 0.525 9.401 1.00 0.00 C ATOM 1107 O ALA A 68 7.034 -0.408 8.671 1.00 0.00 O ATOM 1108 CB ALA A 68 7.814 2.697 8.263 1.00 0.00 C ATOM 0 H ALA A 68 7.356 3.359 10.530 1.00 0.00 H new ATOM 0 HA ALA A 68 5.865 1.810 8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.979 2.163 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.415 3.689 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.759 2.793 8.797 1.00 0.00 H new ATOM 1114 N GLU A 69 8.180 0.373 10.445 1.00 0.00 N ATOM 1115 CA GLU A 69 8.726 -0.912 10.835 1.00 0.00 C ATOM 1116 C GLU A 69 7.606 -1.877 11.192 1.00 0.00 C ATOM 1117 O GLU A 69 7.584 -3.006 10.705 1.00 0.00 O ATOM 1118 CB GLU A 69 9.609 -0.748 12.070 1.00 0.00 C ATOM 1119 CG GLU A 69 11.065 -0.494 11.678 1.00 0.00 C ATOM 1120 CD GLU A 69 11.960 -0.411 12.912 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.069 0.703 13.473 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.529 -1.460 13.289 1.00 0.00 O ATOM 0 H GLU A 69 8.478 1.145 11.041 1.00 0.00 H new ATOM 0 HA GLU A 69 9.305 -1.301 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.242 0.081 12.675 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.547 -1.645 12.687 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.414 -1.294 11.025 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.136 0.434 11.111 1.00 0.00 H new ATOM 1129 N ASP A 70 6.675 -1.434 12.038 1.00 0.00 N ATOM 1130 CA ASP A 70 5.609 -2.319 12.475 1.00 0.00 C ATOM 1131 C ASP A 70 4.645 -2.608 11.327 1.00 0.00 C ATOM 1132 O ASP A 70 4.217 -3.747 11.145 1.00 0.00 O ATOM 1133 CB ASP A 70 4.869 -1.693 13.653 1.00 0.00 C ATOM 1134 CG ASP A 70 5.786 -1.416 14.842 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.590 -2.316 15.179 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.680 -0.305 15.406 1.00 0.00 O ATOM 0 H ASP A 70 6.641 -0.490 12.423 1.00 0.00 H new ATOM 0 HA ASP A 70 6.045 -3.265 12.795 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.405 -0.760 13.332 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.064 -2.358 13.967 1.00 0.00 H new ATOM 1141 N ALA A 71 4.304 -1.583 10.540 1.00 0.00 N ATOM 1142 CA ALA A 71 3.392 -1.745 9.427 1.00 0.00 C ATOM 1143 C ALA A 71 3.953 -2.767 8.452 1.00 0.00 C ATOM 1144 O ALA A 71 3.266 -3.712 8.081 1.00 0.00 O ATOM 1145 CB ALA A 71 3.181 -0.394 8.731 1.00 0.00 C ATOM 0 H ALA A 71 4.653 -0.632 10.662 1.00 0.00 H new ATOM 0 HA ALA A 71 2.429 -2.103 9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.494 -0.519 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.762 0.319 9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.137 -0.021 8.363 1.00 0.00 H new ATOM 1151 N MET A 72 5.205 -2.581 8.039 1.00 0.00 N ATOM 1152 CA MET A 72 5.863 -3.448 7.079 1.00 0.00 C ATOM 1153 C MET A 72 6.037 -4.862 7.626 1.00 0.00 C ATOM 1154 O MET A 72 5.842 -5.832 6.897 1.00 0.00 O ATOM 1155 CB MET A 72 7.219 -2.822 6.776 1.00 0.00 C ATOM 1156 CG MET A 72 8.148 -3.729 5.975 1.00 0.00 C ATOM 1157 SD MET A 72 9.553 -2.839 5.252 1.00 0.00 S ATOM 1158 CE MET A 72 10.051 -1.822 6.672 1.00 0.00 C ATOM 0 H MET A 72 5.792 -1.815 8.368 1.00 0.00 H new ATOM 0 HA MET A 72 5.258 -3.538 6.177 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.066 -1.895 6.224 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.705 -2.557 7.715 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.521 -4.522 6.623 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.580 -4.210 5.178 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.101 -1.548 6.573 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.441 -0.919 6.704 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.910 -2.388 7.593 1.00 0.00 H new ATOM 1168 N ASP A 73 6.404 -4.985 8.904 1.00 0.00 N ATOM 1169 CA ASP A 73 6.571 -6.286 9.531 1.00 0.00 C ATOM 1170 C ASP A 73 5.220 -6.973 9.738 1.00 0.00 C ATOM 1171 O ASP A 73 5.167 -8.136 10.143 1.00 0.00 O ATOM 1172 CB ASP A 73 7.303 -6.107 10.866 1.00 0.00 C ATOM 1173 CG ASP A 73 7.635 -7.446 11.522 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.388 -8.225 10.893 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.141 -7.681 12.647 1.00 0.00 O ATOM 0 H ASP A 73 6.590 -4.194 9.521 1.00 0.00 H new ATOM 0 HA ASP A 73 7.163 -6.926 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.223 -5.546 10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.685 -5.516 11.542 1.00 0.00 H new ATOM 1180 N ALA A 74 4.122 -6.262 9.459 1.00 0.00 N ATOM 1181 CA ALA A 74 2.775 -6.776 9.611 1.00 0.00 C ATOM 1182 C ALA A 74 1.942 -6.630 8.335 1.00 0.00 C ATOM 1183 O ALA A 74 0.744 -6.909 8.359 1.00 0.00 O ATOM 1184 CB ALA A 74 2.125 -6.032 10.777 1.00 0.00 C ATOM 0 H ALA A 74 4.155 -5.301 9.117 1.00 0.00 H new ATOM 0 HA ALA A 74 2.821 -7.846 9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.107 -6.396 10.919 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.702 -6.205 11.686 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.101 -4.964 10.559 1.00 0.00 H new ATOM 1190 N MET A 75 2.547 -6.197 7.222 1.00 0.00 N ATOM 1191 CA MET A 75 1.821 -5.987 5.974 1.00 0.00 C ATOM 1192 C MET A 75 2.559 -6.523 4.751 1.00 0.00 C ATOM 1193 O MET A 75 1.933 -6.709 3.710 1.00 0.00 O ATOM 1194 CB MET A 75 1.558 -4.493 5.776 1.00 0.00 C ATOM 1195 CG MET A 75 0.451 -3.985 6.693 1.00 0.00 C ATOM 1196 SD MET A 75 -1.156 -4.780 6.420 1.00 0.00 S ATOM 1197 CE MET A 75 -1.242 -4.627 4.619 1.00 0.00 C ATOM 0 H MET A 75 3.543 -5.986 7.166 1.00 0.00 H new ATOM 0 HA MET A 75 0.887 -6.542 6.061 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.474 -3.934 5.968 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.283 -4.307 4.738 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.751 -4.142 7.729 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.341 -2.910 6.552 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.240 -4.901 4.278 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.029 -3.598 4.331 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.508 -5.291 4.162 1.00 0.00 H new ATOM 1207 N ASP A 76 3.869 -6.779 4.835 1.00 0.00 N ATOM 1208 CA ASP A 76 4.580 -7.347 3.704 1.00 0.00 C ATOM 1209 C ASP A 76 4.084 -8.769 3.444 1.00 0.00 C ATOM 1210 O ASP A 76 4.257 -9.656 4.278 1.00 0.00 O ATOM 1211 CB ASP A 76 6.088 -7.318 3.953 1.00 0.00 C ATOM 1212 CG ASP A 76 6.836 -7.763 2.697 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.527 -7.214 1.616 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.714 -8.647 2.833 1.00 0.00 O ATOM 0 H ASP A 76 4.442 -6.603 5.660 1.00 0.00 H new ATOM 0 HA ASP A 76 4.382 -6.748 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.399 -6.312 4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.339 -7.973 4.787 1.00 0.00 H new ATOM 1219 N GLY A 77 3.466 -8.982 2.281 1.00 0.00 N ATOM 1220 CA GLY A 77 2.923 -10.278 1.892 1.00 0.00 C ATOM 1221 C GLY A 77 1.681 -10.643 2.701 1.00 0.00 C ATOM 1222 O GLY A 77 1.383 -11.822 2.882 1.00 0.00 O ATOM 0 H GLY A 77 3.329 -8.253 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.673 -10.263 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.684 -11.046 2.029 1.00 0.00 H new ATOM 1226 N ALA A 78 0.955 -9.631 3.185 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.201 -9.825 4.053 1.00 0.00 C ATOM 1228 C ALA A 78 -1.495 -10.051 3.269 1.00 0.00 C ATOM 1229 O ALA A 78 -2.553 -10.204 3.880 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.337 -8.627 4.991 1.00 0.00 C ATOM 0 H ALA A 78 1.157 -8.652 2.983 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.033 -10.732 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.200 -8.770 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.563 -8.537 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.471 -7.719 4.404 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.407 -10.070 1.931 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.519 -10.335 1.011 1.00 0.00 C ATOM 1238 C VAL A 79 -3.869 -9.828 1.538 1.00 0.00 C ATOM 1239 O VAL A 79 -4.748 -10.607 1.906 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.511 -11.816 0.601 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.429 -12.766 1.792 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.657 -12.170 -0.323 1.00 0.00 C ATOM 0 H VAL A 79 -0.528 -9.895 1.444 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.369 -9.751 0.103 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.591 -11.955 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.427 -13.796 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.512 -12.573 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.289 -12.609 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.603 -13.228 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.604 -11.966 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.590 -11.571 -1.231 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.041 -8.498 1.579 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.298 -7.888 2.009 1.00 0.00 C ATOM 1254 C LEU A 80 -6.423 -8.062 0.979 1.00 0.00 C ATOM 1255 O LEU A 80 -7.554 -7.659 1.247 1.00 0.00 O ATOM 1256 CB LEU A 80 -5.081 -6.414 2.386 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.616 -5.506 1.238 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.700 -5.232 0.200 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.203 -4.158 1.817 1.00 0.00 C ATOM 0 H LEU A 80 -3.319 -7.826 1.317 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.630 -8.419 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.014 -6.017 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.344 -6.366 3.187 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.796 -6.028 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.301 -4.584 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.027 -6.173 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.547 -4.742 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.870 -3.503 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.054 -3.705 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.389 -4.301 2.528 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.141 -8.652 -0.191 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.168 -8.892 -1.196 1.00 0.00 C ATOM 1273 C ASP A 81 -7.061 -10.289 -1.812 1.00 0.00 C ATOM 1274 O ASP A 81 -8.068 -10.983 -1.934 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.087 -7.828 -2.293 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.102 -8.111 -3.398 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.270 -7.702 -3.228 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.695 -8.735 -4.402 1.00 0.00 O ATOM 0 H ASP A 81 -5.209 -8.969 -0.458 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.134 -8.830 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.274 -6.843 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.081 -7.808 -2.713 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.850 -10.704 -2.199 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.617 -12.036 -2.748 1.00 0.00 C ATOM 1285 C GLY A 82 -4.530 -12.048 -3.818 1.00 0.00 C ATOM 1286 O GLY A 82 -4.589 -12.842 -4.757 1.00 0.00 O ATOM 0 H GLY A 82 -5.011 -10.127 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.335 -12.713 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.545 -12.417 -3.174 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.537 -11.168 -3.671 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.432 -11.039 -4.617 1.00 0.00 C ATOM 1292 C ARG A 83 -1.073 -10.964 -3.915 1.00 0.00 C ATOM 1293 O ARG A 83 -0.054 -11.274 -4.530 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.649 -9.775 -5.446 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.911 -8.600 -4.503 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.534 -7.290 -5.170 1.00 0.00 C ATOM 1297 NE ARG A 83 -2.524 -6.196 -4.197 1.00 0.00 N ATOM 1298 CZ ARG A 83 -3.609 -5.626 -3.678 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -4.825 -6.049 -4.006 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.474 -4.622 -2.825 1.00 0.00 N ATOM 0 H ARG A 83 -3.479 -10.521 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.419 -11.926 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.773 -9.574 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.492 -9.909 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.963 -8.581 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.336 -8.727 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.551 -7.381 -5.632 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.241 -7.066 -5.968 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.616 -5.844 -3.894 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.936 -6.821 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.647 -5.602 -3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.543 -4.291 -2.570 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.301 -4.180 -2.423 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.075 -10.551 -2.639 1.00 0.00 N ATOM 1315 CA GLU A 84 0.046 -10.568 -1.707 1.00 0.00 C ATOM 1316 C GLU A 84 0.735 -9.206 -1.687 1.00 0.00 C ATOM 1317 O GLU A 84 1.679 -8.961 -2.431 1.00 0.00 O ATOM 1318 CB GLU A 84 1.001 -11.746 -1.940 1.00 0.00 C ATOM 1319 CG GLU A 84 1.228 -12.486 -0.621 1.00 0.00 C ATOM 1320 CD GLU A 84 2.385 -13.469 -0.728 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.530 -12.985 -0.871 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.122 -14.691 -0.668 1.00 0.00 O ATOM 0 H GLU A 84 -1.919 -10.172 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.347 -10.743 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.583 -12.425 -2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.951 -11.386 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.432 -11.766 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.320 -13.020 -0.340 1.00 0.00 H new ATOM 1329 N LEU A 85 0.230 -8.327 -0.814 1.00 0.00 N ATOM 1330 CA LEU A 85 0.712 -6.967 -0.606 1.00 0.00 C ATOM 1331 C LEU A 85 2.236 -6.940 -0.478 1.00 0.00 C ATOM 1332 O LEU A 85 2.855 -7.945 -0.142 1.00 0.00 O ATOM 1333 CB LEU A 85 0.005 -6.452 0.657 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.391 -4.973 0.690 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.808 -4.039 0.737 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.255 -4.596 -0.510 1.00 0.00 C ATOM 0 H LEU A 85 -0.559 -8.559 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 85 0.483 -6.322 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.897 -7.046 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.656 -6.645 1.510 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.961 -4.849 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.463 -3.005 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.395 -4.245 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.427 -4.197 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.516 -3.539 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.701 -4.783 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.165 -5.196 -0.506 1.00 0.00 H new ATOM 1348 N ARG A 86 2.851 -5.787 -0.738 1.00 0.00 N ATOM 1349 CA ARG A 86 4.293 -5.629 -0.668 1.00 0.00 C ATOM 1350 C ARG A 86 4.637 -4.355 0.084 1.00 0.00 C ATOM 1351 O ARG A 86 4.026 -3.314 -0.147 1.00 0.00 O ATOM 1352 CB ARG A 86 4.864 -5.551 -2.085 1.00 0.00 C ATOM 1353 CG ARG A 86 4.724 -6.866 -2.849 1.00 0.00 C ATOM 1354 CD ARG A 86 5.542 -7.957 -2.158 1.00 0.00 C ATOM 1355 NE ARG A 86 5.484 -9.220 -2.904 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.940 -10.346 -2.438 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.367 -10.390 -1.243 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.965 -11.452 -3.177 1.00 0.00 N ATOM 0 H ARG A 86 2.356 -4.936 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 86 4.723 -6.483 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.354 -4.760 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.917 -5.276 -2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.675 -7.160 -2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.066 -6.738 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.579 -7.634 -2.066 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.165 -8.112 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 86 5.886 -9.238 -3.841 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.336 -9.553 -0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.957 -11.261 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.400 -11.439 -4.100 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.549 -12.313 -2.821 1.00 0.00 H new ATOM 1372 N VAL A 87 5.620 -4.438 0.985 1.00 0.00 N ATOM 1373 CA VAL A 87 6.026 -3.285 1.773 1.00 0.00 C ATOM 1374 C VAL A 87 7.544 -3.251 1.921 1.00 0.00 C ATOM 1375 O VAL A 87 8.183 -4.281 2.136 1.00 0.00 O ATOM 1376 CB VAL A 87 5.357 -3.328 3.148 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.546 -1.979 3.833 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.874 -3.682 3.055 1.00 0.00 C ATOM 0 H VAL A 87 6.144 -5.291 1.182 1.00 0.00 H new ATOM 0 HA VAL A 87 5.710 -2.378 1.257 1.00 0.00 H new ATOM 0 HB VAL A 87 5.830 -4.114 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.072 -2.000 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.611 -1.775 3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.090 -1.196 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.441 -3.701 4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.359 -2.935 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.762 -4.663 2.593 1.00 0.00 H new ATOM 1388 N GLN A 88 8.115 -2.050 1.802 1.00 0.00 N ATOM 1389 CA GLN A 88 9.552 -1.833 1.826 1.00 0.00 C ATOM 1390 C GLN A 88 9.854 -0.343 1.986 1.00 0.00 C ATOM 1391 O GLN A 88 9.074 0.500 1.551 1.00 0.00 O ATOM 1392 CB GLN A 88 10.136 -2.336 0.499 1.00 0.00 C ATOM 1393 CG GLN A 88 9.337 -1.819 -0.701 1.00 0.00 C ATOM 1394 CD GLN A 88 9.925 -2.282 -2.031 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.077 -2.692 -2.119 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.115 -2.219 -3.089 1.00 0.00 N ATOM 0 H GLN A 88 7.578 -1.191 1.685 1.00 0.00 H new ATOM 0 HA GLN A 88 9.995 -2.370 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.174 -2.014 0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.139 -3.426 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.305 -2.163 -0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.313 -0.730 -0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.162 -1.873 -2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.449 -2.517 -4.005 1.00 0.00 H new ATOM 1405 N MET A 89 10.986 -0.013 2.607 1.00 0.00 N ATOM 1406 CA MET A 89 11.450 1.361 2.720 1.00 0.00 C ATOM 1407 C MET A 89 11.503 2.014 1.337 1.00 0.00 C ATOM 1408 O MET A 89 11.982 1.410 0.380 1.00 0.00 O ATOM 1409 CB MET A 89 12.833 1.354 3.371 1.00 0.00 C ATOM 1410 CG MET A 89 12.676 0.978 4.841 1.00 0.00 C ATOM 1411 SD MET A 89 12.124 2.361 5.873 1.00 0.00 S ATOM 1412 CE MET A 89 11.495 1.423 7.282 1.00 0.00 C ATOM 0 H MET A 89 11.605 -0.695 3.045 1.00 0.00 H new ATOM 0 HA MET A 89 10.762 1.940 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.485 0.642 2.866 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.300 2.335 3.279 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.960 0.160 4.926 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.629 0.608 5.219 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.733 1.950 8.206 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.414 1.315 7.194 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.958 0.436 7.298 1.00 0.00 H new ATOM 1422 N ALA A 90 11.009 3.248 1.237 1.00 0.00 N ATOM 1423 CA ALA A 90 11.006 3.990 -0.016 1.00 0.00 C ATOM 1424 C ALA A 90 12.397 4.506 -0.366 1.00 0.00 C ATOM 1425 O ALA A 90 12.637 4.881 -1.513 1.00 0.00 O ATOM 1426 CB ALA A 90 10.034 5.165 0.091 1.00 0.00 C ATOM 0 H ALA A 90 10.602 3.757 2.022 1.00 0.00 H new ATOM 0 HA ALA A 90 10.690 3.313 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.031 5.721 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.031 4.790 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.346 5.823 0.902 1.00 0.00 H new