USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 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 25 CYS SG : rot 180:sc= -0.368 USER MOD Set 1.2: A 80 TYR OH : rot -30:sc= 1.21 USER MOD Single : A 13 LYS NZ :NH3+ -121:sc= -0.317 (180deg=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ -129:sc= 0.802 (180deg=-0.0371) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.135) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc=-0.000713 X(o=-0.00071,f=-0.41) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 45 THR OG1 : rot 60:sc= 0.414 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -155:sc= 0.8 USER MOD Single : A 55 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-0.9) USER MOD Single : A 56 TYR OH : rot 150:sc= -0.956 USER MOD Single : A 58 ASN : amide:sc= -2.14! X(o=-2.1!,f=-1.9) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0602 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.00705 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0616 USER MOD Single : A 73 ASN : amide:sc= 0.231 K(o=0.23,f=-7.2!) USER MOD Single : A 76 LYS NZ :NH3+ -135:sc=-0.00556 (180deg=-0.674) USER MOD ----------------------------------------------------------------- ATOM 173 N ILE A 11 12.796 17.326 6.858 1.00 0.00 N ATOM 174 CA ILE A 11 11.547 16.576 6.913 1.00 0.00 C ATOM 175 C ILE A 11 10.353 17.510 7.085 1.00 0.00 C ATOM 176 O ILE A 11 10.295 18.290 8.034 1.00 0.00 O ATOM 177 CB ILE A 11 11.554 15.553 8.064 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.724 14.580 7.903 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.234 14.800 8.111 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.997 15.049 8.572 1.00 0.00 C ATOM 0 HA ILE A 11 11.456 16.044 5.966 1.00 0.00 H new ATOM 0 HB ILE A 11 11.678 16.088 9.006 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.441 13.612 8.317 1.00 0.00 H new ATOM 0 HG13 ILE A 11 12.916 14.428 6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.254 14.081 8.930 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.418 15.505 8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.082 14.273 7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.783 14.310 8.417 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.305 16.002 8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.822 15.173 9.641 1.00 0.00 H new ATOM 192 N ALA A 12 9.403 17.422 6.160 1.00 0.00 N ATOM 193 CA ALA A 12 8.208 18.256 6.211 1.00 0.00 C ATOM 194 C ALA A 12 6.989 17.443 6.633 1.00 0.00 C ATOM 195 O ALA A 12 6.558 16.535 5.921 1.00 0.00 O ATOM 196 CB ALA A 12 7.965 18.913 4.861 1.00 0.00 C ATOM 0 H ALA A 12 9.437 16.782 5.367 1.00 0.00 H new ATOM 0 HA ALA A 12 8.369 19.034 6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.070 19.533 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.821 19.534 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.829 18.144 4.101 1.00 0.00 H new ATOM 202 N LYS A 13 6.436 17.773 7.795 1.00 0.00 N ATOM 203 CA LYS A 13 5.266 17.074 8.312 1.00 0.00 C ATOM 204 C LYS A 13 4.268 18.058 8.916 1.00 0.00 C ATOM 205 O LYS A 13 4.655 19.067 9.507 1.00 0.00 O ATOM 206 CB LYS A 13 5.684 16.045 9.364 1.00 0.00 C ATOM 207 CG LYS A 13 6.079 16.661 10.695 1.00 0.00 C ATOM 208 CD LYS A 13 6.522 15.602 11.691 1.00 0.00 C ATOM 209 CE LYS A 13 7.801 14.913 11.239 1.00 0.00 C ATOM 210 NZ LYS A 13 7.518 13.677 10.458 1.00 0.00 N ATOM 0 H LYS A 13 6.780 18.521 8.397 1.00 0.00 H new ATOM 0 HA LYS A 13 4.785 16.559 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.861 15.348 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.522 15.464 8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.887 17.376 10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.235 17.216 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.680 16.062 12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.732 14.861 11.812 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.389 15.601 10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.406 14.662 12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.956 12.860 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.490 13.532 10.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.910 13.774 9.500 1.00 0.00 H new ATOM 224 N LYS A 14 2.983 17.756 8.767 1.00 0.00 N ATOM 225 CA LYS A 14 1.929 18.611 9.300 1.00 0.00 C ATOM 226 C LYS A 14 1.399 18.063 10.621 1.00 0.00 C ATOM 227 O LYS A 14 0.879 16.948 10.676 1.00 0.00 O ATOM 228 CB LYS A 14 0.785 18.735 8.291 1.00 0.00 C ATOM 229 CG LYS A 14 1.072 19.709 7.161 1.00 0.00 C ATOM 230 CD LYS A 14 0.019 19.622 6.069 1.00 0.00 C ATOM 231 CE LYS A 14 -1.154 20.549 6.351 1.00 0.00 C ATOM 232 NZ LYS A 14 -0.936 21.908 5.781 1.00 0.00 N ATOM 0 H LYS A 14 2.646 16.925 8.281 1.00 0.00 H new ATOM 0 HA LYS A 14 2.354 19.598 9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.577 17.752 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.116 19.054 8.814 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.106 20.725 7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.054 19.498 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.466 19.881 5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.338 18.595 5.988 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.064 20.121 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.305 20.627 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.104 22.624 6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.042 21.987 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.594 22.063 4.991 1.00 0.00 H new ATOM 246 N ILE A 15 1.534 18.853 11.680 1.00 0.00 N ATOM 247 CA ILE A 15 1.066 18.447 13.000 1.00 0.00 C ATOM 248 C ILE A 15 -0.101 19.313 13.460 1.00 0.00 C ATOM 249 O ILE A 15 -0.367 20.369 12.887 1.00 0.00 O ATOM 250 CB ILE A 15 2.193 18.525 14.046 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.759 19.946 14.112 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.292 17.527 13.716 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.260 20.333 15.485 1.00 0.00 C ATOM 0 H ILE A 15 1.963 19.778 11.650 1.00 0.00 H new ATOM 0 HA ILE A 15 0.735 17.412 12.912 1.00 0.00 H new ATOM 0 HB ILE A 15 1.781 18.272 15.023 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.577 20.036 13.397 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.987 20.651 13.804 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.081 17.594 14.465 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.879 16.518 13.714 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.705 17.752 12.732 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.647 21.352 15.457 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.440 20.275 16.201 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.055 19.651 15.788 1.00 0.00 H new ATOM 265 N ASN A 16 -0.794 18.860 14.500 1.00 0.00 N ATOM 266 CA ASN A 16 -1.932 19.595 15.039 1.00 0.00 C ATOM 267 C ASN A 16 -1.808 19.757 16.551 1.00 0.00 C ATOM 268 O ASN A 16 -2.794 20.022 17.240 1.00 0.00 O ATOM 269 CB ASN A 16 -3.239 18.875 14.697 1.00 0.00 C ATOM 270 CG ASN A 16 -3.640 19.063 13.247 1.00 0.00 C ATOM 271 OD1 ASN A 16 -4.249 20.070 12.885 1.00 0.00 O ATOM 272 ND2 ASN A 16 -3.299 18.091 12.409 1.00 0.00 N ATOM 0 H ASN A 16 -0.587 17.987 14.986 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.941 20.586 14.585 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.130 17.811 14.906 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.035 19.247 15.342 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.542 18.161 11.421 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.794 17.274 12.754 1.00 0.00 H new ATOM 279 N SER A 17 -0.591 19.598 17.060 1.00 0.00 N ATOM 280 CA SER A 17 -0.338 19.723 18.491 1.00 0.00 C ATOM 281 C SER A 17 0.979 20.449 18.748 1.00 0.00 C ATOM 282 O SER A 17 1.993 20.163 18.112 1.00 0.00 O ATOM 283 CB SER A 17 -0.310 18.342 19.148 1.00 0.00 C ATOM 284 OG SER A 17 -1.408 17.553 18.726 1.00 0.00 O ATOM 0 H SER A 17 0.236 19.382 16.503 1.00 0.00 H new ATOM 0 HA SER A 17 -1.147 20.309 18.929 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.622 17.836 18.898 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.333 18.451 20.232 1.00 0.00 H new ATOM 0 HG SER A 17 -1.366 16.675 19.159 1.00 0.00 H new ATOM 290 N VAL A 18 0.955 21.390 19.686 1.00 0.00 N ATOM 291 CA VAL A 18 2.146 22.158 20.030 1.00 0.00 C ATOM 292 C VAL A 18 3.091 21.343 20.906 1.00 0.00 C ATOM 293 O VAL A 18 4.262 21.688 21.063 1.00 0.00 O ATOM 294 CB VAL A 18 1.782 23.463 20.762 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.803 24.283 19.935 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.207 23.159 22.137 1.00 0.00 C ATOM 0 H VAL A 18 0.124 21.639 20.222 1.00 0.00 H new ATOM 0 HA VAL A 18 2.645 22.404 19.093 1.00 0.00 H new ATOM 0 HB VAL A 18 2.690 24.051 20.895 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.557 25.202 20.468 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.256 24.530 18.975 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.106 23.705 19.769 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.955 24.092 22.641 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.309 22.551 22.029 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.944 22.616 22.728 1.00 0.00 H new ATOM 306 N ASP A 19 2.574 20.260 21.476 1.00 0.00 N ATOM 307 CA ASP A 19 3.371 19.394 22.336 1.00 0.00 C ATOM 308 C ASP A 19 4.530 18.776 21.561 1.00 0.00 C ATOM 309 O ASP A 19 5.635 18.632 22.086 1.00 0.00 O ATOM 310 CB ASP A 19 2.498 18.291 22.937 1.00 0.00 C ATOM 311 CG ASP A 19 3.243 17.453 23.956 1.00 0.00 C ATOM 312 OD1 ASP A 19 3.978 18.036 24.780 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.091 16.213 23.930 1.00 0.00 O ATOM 0 H ASP A 19 1.606 19.961 21.358 1.00 0.00 H new ATOM 0 HA ASP A 19 3.780 20.003 23.143 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.624 18.740 23.409 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.132 17.646 22.138 1.00 0.00 H new ATOM 318 N ASP A 20 4.271 18.412 20.310 1.00 0.00 N ATOM 319 CA ASP A 20 5.293 17.809 19.462 1.00 0.00 C ATOM 320 C ASP A 20 6.177 18.880 18.831 1.00 0.00 C ATOM 321 O ASP A 20 6.317 18.943 17.609 1.00 0.00 O ATOM 322 CB ASP A 20 4.643 16.958 18.369 1.00 0.00 C ATOM 323 CG ASP A 20 4.300 15.562 18.850 1.00 0.00 C ATOM 324 OD1 ASP A 20 4.495 15.283 20.052 1.00 0.00 O ATOM 325 OD2 ASP A 20 3.836 14.748 18.025 1.00 0.00 O ATOM 0 H ASP A 20 3.362 18.524 19.861 1.00 0.00 H new ATOM 0 HA ASP A 20 5.917 17.170 20.087 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.736 17.452 18.019 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.318 16.890 17.516 1.00 0.00 H new ATOM 330 N ILE A 21 6.770 19.721 19.672 1.00 0.00 N ATOM 331 CA ILE A 21 7.640 20.789 19.196 1.00 0.00 C ATOM 332 C ILE A 21 8.994 20.750 19.897 1.00 0.00 C ATOM 333 O ILE A 21 9.078 20.448 21.088 1.00 0.00 O ATOM 334 CB ILE A 21 7.002 22.174 19.413 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.698 22.289 18.622 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.972 23.274 19.008 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.958 23.586 18.861 1.00 0.00 C ATOM 0 H ILE A 21 6.664 19.683 20.686 1.00 0.00 H new ATOM 0 HA ILE A 21 7.782 20.627 18.128 1.00 0.00 H new ATOM 0 HB ILE A 21 6.774 22.290 20.473 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.918 22.197 17.559 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.048 21.455 18.886 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.506 24.247 19.167 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.877 23.202 19.612 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.229 23.163 17.955 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.044 23.598 18.268 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.706 23.672 19.918 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.590 24.425 18.570 1.00 0.00 H new ATOM 349 N ILE A 22 10.050 21.057 19.152 1.00 0.00 N ATOM 350 CA ILE A 22 11.399 21.060 19.704 1.00 0.00 C ATOM 351 C ILE A 22 12.125 22.360 19.375 1.00 0.00 C ATOM 352 O ILE A 22 11.560 23.257 18.748 1.00 0.00 O ATOM 353 CB ILE A 22 12.226 19.875 19.172 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.139 19.807 17.646 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.746 18.572 19.794 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.294 19.069 17.007 1.00 0.00 C ATOM 0 H ILE A 22 9.998 21.307 18.164 1.00 0.00 H new ATOM 0 HA ILE A 22 11.298 20.967 20.785 1.00 0.00 H new ATOM 0 HB ILE A 22 13.269 20.026 19.451 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.206 19.318 17.365 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.101 20.821 17.247 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.340 17.744 19.408 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.856 18.624 20.877 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.697 18.414 19.543 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.166 19.060 15.925 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.229 19.570 17.258 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.321 18.044 17.377 1.00 0.00 H new ATOM 368 N ILE A 23 13.380 22.454 19.801 1.00 0.00 N ATOM 369 CA ILE A 23 14.184 23.644 19.549 1.00 0.00 C ATOM 370 C ILE A 23 14.608 23.721 18.086 1.00 0.00 C ATOM 371 O ILE A 23 14.863 24.804 17.559 1.00 0.00 O ATOM 372 CB ILE A 23 15.441 23.672 20.438 1.00 0.00 C ATOM 373 CG1 ILE A 23 15.047 23.760 21.914 1.00 0.00 C ATOM 374 CG2 ILE A 23 16.336 24.840 20.053 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.731 22.418 22.536 1.00 0.00 C ATOM 0 H ILE A 23 13.862 21.721 20.322 1.00 0.00 H new ATOM 0 HA ILE A 23 13.559 24.504 19.790 1.00 0.00 H new ATOM 0 HB ILE A 23 15.997 22.747 20.284 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.859 24.227 22.471 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.178 24.410 22.012 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.220 24.846 20.690 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.640 24.737 19.011 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.790 25.775 20.181 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.460 22.557 23.583 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.899 21.957 22.004 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.606 21.772 22.471 1.00 0.00 H new ATOM 387 N LYS A 24 14.679 22.566 17.435 1.00 0.00 N ATOM 388 CA LYS A 24 15.069 22.501 16.031 1.00 0.00 C ATOM 389 C LYS A 24 13.842 22.502 15.125 1.00 0.00 C ATOM 390 O LYS A 24 13.958 22.374 13.906 1.00 0.00 O ATOM 391 CB LYS A 24 15.907 21.247 15.770 1.00 0.00 C ATOM 392 CG LYS A 24 17.164 21.169 16.620 1.00 0.00 C ATOM 393 CD LYS A 24 18.038 22.398 16.437 1.00 0.00 C ATOM 394 CE LYS A 24 18.503 22.542 14.996 1.00 0.00 C ATOM 395 NZ LYS A 24 19.366 21.403 14.575 1.00 0.00 N ATOM 0 H LYS A 24 14.471 21.661 17.857 1.00 0.00 H new ATOM 0 HA LYS A 24 15.667 23.384 15.805 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.295 20.365 15.959 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.188 21.220 14.717 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.889 21.070 17.670 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.730 20.276 16.354 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.482 23.288 16.732 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.904 22.331 17.095 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.636 22.603 14.339 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.054 23.476 14.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.812 21.624 13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 20.103 21.243 15.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.786 20.545 14.478 1.00 0.00 H new ATOM 409 N CYS A 25 12.667 22.650 15.728 1.00 0.00 N ATOM 410 CA CYS A 25 11.418 22.668 14.975 1.00 0.00 C ATOM 411 C CYS A 25 11.097 24.078 14.490 1.00 0.00 C ATOM 412 O CYS A 25 11.280 25.052 15.219 1.00 0.00 O ATOM 413 CB CYS A 25 10.271 22.139 15.837 1.00 0.00 C ATOM 414 SG CYS A 25 8.626 22.477 15.165 1.00 0.00 S ATOM 0 H CYS A 25 12.553 22.759 16.736 1.00 0.00 H new ATOM 0 HA CYS A 25 11.537 22.022 14.105 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.388 21.062 15.958 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.344 22.581 16.831 1.00 0.00 H new ATOM 0 HG CYS A 25 7.723 21.990 15.963 1.00 0.00 H new ATOM 420 N GLN A 26 10.620 24.178 13.253 1.00 0.00 N ATOM 421 CA GLN A 26 10.277 25.470 12.670 1.00 0.00 C ATOM 422 C GLN A 26 8.817 25.496 12.228 1.00 0.00 C ATOM 423 O GLN A 26 8.354 24.595 11.527 1.00 0.00 O ATOM 424 CB GLN A 26 11.188 25.774 11.480 1.00 0.00 C ATOM 425 CG GLN A 26 12.644 25.978 11.865 1.00 0.00 C ATOM 426 CD GLN A 26 13.484 26.504 10.718 1.00 0.00 C ATOM 427 OE1 GLN A 26 13.121 27.484 10.066 1.00 0.00 O ATOM 428 NE2 GLN A 26 14.614 25.855 10.464 1.00 0.00 N ATOM 0 H GLN A 26 10.463 23.381 12.636 1.00 0.00 H new ATOM 0 HA GLN A 26 10.421 26.235 13.433 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.122 24.955 10.764 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.826 26.669 10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.700 26.675 12.701 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.060 25.032 12.211 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.877 25.048 11.029 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.220 26.164 9.704 1.00 0.00 H new ATOM 437 N CYS A 27 8.098 26.533 12.641 1.00 0.00 N ATOM 438 CA CYS A 27 6.690 26.676 12.289 1.00 0.00 C ATOM 439 C CYS A 27 6.388 28.096 11.820 1.00 0.00 C ATOM 440 O CYS A 27 7.298 28.901 11.621 1.00 0.00 O ATOM 441 CB CYS A 27 5.804 26.322 13.484 1.00 0.00 C ATOM 442 SG CYS A 27 5.996 27.431 14.899 1.00 0.00 S ATOM 0 H CYS A 27 8.467 27.287 13.220 1.00 0.00 H new ATOM 0 HA CYS A 27 6.475 25.989 11.471 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.762 26.333 13.166 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.029 25.304 13.801 1.00 0.00 H new ATOM 0 HG CYS A 27 5.205 27.052 15.858 1.00 0.00 H new ATOM 448 N TRP A 28 5.106 28.396 11.645 1.00 0.00 N ATOM 449 CA TRP A 28 4.684 29.718 11.198 1.00 0.00 C ATOM 450 C TRP A 28 3.863 30.420 12.274 1.00 0.00 C ATOM 451 O TRP A 28 3.041 29.798 12.946 1.00 0.00 O ATOM 452 CB TRP A 28 3.870 29.608 9.908 1.00 0.00 C ATOM 453 CG TRP A 28 4.676 29.139 8.735 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.124 27.870 8.503 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.131 29.935 7.635 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.831 27.829 7.325 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.848 29.082 6.773 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.000 31.283 7.293 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.432 29.536 5.593 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.580 31.733 6.122 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.288 30.862 5.283 1.00 0.00 C ATOM 0 H TRP A 28 4.341 27.741 11.806 1.00 0.00 H new ATOM 0 HA TRP A 28 5.578 30.311 11.005 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.040 28.920 10.068 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.437 30.581 9.676 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.949 27.023 9.150 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.272 27.000 6.927 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.455 31.962 7.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.979 28.866 4.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.486 32.774 5.849 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.729 31.244 4.374 1.00 0.00 H new ATOM 472 N VAL A 29 4.091 31.720 12.432 1.00 0.00 N ATOM 473 CA VAL A 29 3.370 32.507 13.426 1.00 0.00 C ATOM 474 C VAL A 29 2.581 33.633 12.769 1.00 0.00 C ATOM 475 O VAL A 29 3.001 34.188 11.754 1.00 0.00 O ATOM 476 CB VAL A 29 4.331 33.109 14.469 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.551 33.810 15.571 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.234 32.030 15.047 1.00 0.00 C ATOM 0 H VAL A 29 4.769 32.250 11.885 1.00 0.00 H new ATOM 0 HA VAL A 29 2.680 31.828 13.927 1.00 0.00 H new ATOM 0 HB VAL A 29 4.960 33.849 13.974 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.246 34.229 16.299 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.951 34.611 15.139 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.896 33.093 16.066 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.906 32.473 15.782 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.625 31.265 15.528 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.819 31.578 14.246 1.00 0.00 H new ATOM 488 N GLN A 30 1.435 33.965 13.354 1.00 0.00 N ATOM 489 CA GLN A 30 0.586 35.025 12.824 1.00 0.00 C ATOM 490 C GLN A 30 1.042 36.391 13.327 1.00 0.00 C ATOM 491 O GLN A 30 1.011 36.665 14.527 1.00 0.00 O ATOM 492 CB GLN A 30 -0.873 34.785 13.219 1.00 0.00 C ATOM 493 CG GLN A 30 -1.867 35.571 12.379 1.00 0.00 C ATOM 494 CD GLN A 30 -3.306 35.292 12.766 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.617 35.082 13.939 1.00 0.00 O ATOM 496 NE2 GLN A 30 -4.194 35.287 11.779 1.00 0.00 N ATOM 0 H GLN A 30 1.073 33.515 14.195 1.00 0.00 H new ATOM 0 HA GLN A 30 0.668 35.012 11.737 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.095 33.722 13.129 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.005 35.051 14.268 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.666 36.637 12.487 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.723 35.324 11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.893 35.466 10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.177 35.104 11.979 1.00 0.00 H new ATOM 505 N LYS A 31 1.467 37.245 12.402 1.00 0.00 N ATOM 506 CA LYS A 31 1.930 38.583 12.750 1.00 0.00 C ATOM 507 C LYS A 31 1.509 39.597 11.691 1.00 0.00 C ATOM 508 O LYS A 31 1.617 39.338 10.493 1.00 0.00 O ATOM 509 CB LYS A 31 3.453 38.594 12.905 1.00 0.00 C ATOM 510 CG LYS A 31 3.938 39.406 14.093 1.00 0.00 C ATOM 511 CD LYS A 31 3.435 38.828 15.406 1.00 0.00 C ATOM 512 CE LYS A 31 4.131 39.466 16.598 1.00 0.00 C ATOM 513 NZ LYS A 31 3.622 38.929 17.891 1.00 0.00 N ATOM 0 H LYS A 31 1.500 37.034 11.405 1.00 0.00 H new ATOM 0 HA LYS A 31 1.472 38.863 13.699 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.807 37.568 13.008 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.899 38.995 11.995 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.028 39.429 14.098 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.597 40.437 13.994 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.359 38.984 15.485 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.603 37.751 15.419 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.204 39.289 16.529 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.983 40.546 16.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.121 39.389 18.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.603 39.120 17.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.786 37.903 17.929 1.00 0.00 H new ATOM 527 N ASN A 32 1.030 40.752 12.142 1.00 0.00 N ATOM 528 CA ASN A 32 0.594 41.805 11.233 1.00 0.00 C ATOM 529 C ASN A 32 -0.420 41.269 10.226 1.00 0.00 C ATOM 530 O ASN A 32 -0.275 41.466 9.019 1.00 0.00 O ATOM 531 CB ASN A 32 1.795 42.401 10.496 1.00 0.00 C ATOM 532 CG ASN A 32 2.694 43.207 11.413 1.00 0.00 C ATOM 533 OD1 ASN A 32 2.219 43.988 12.238 1.00 0.00 O ATOM 534 ND2 ASN A 32 4.001 43.021 11.273 1.00 0.00 N ATOM 0 H ASN A 32 0.934 40.982 13.131 1.00 0.00 H new ATOM 0 HA ASN A 32 0.115 42.586 11.824 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.373 41.597 10.039 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.441 43.039 9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.655 43.536 11.862 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.351 42.363 10.576 1.00 0.00 H new ATOM 541 N ASP A 33 -1.445 40.592 10.731 1.00 0.00 N ATOM 542 CA ASP A 33 -2.485 40.029 9.877 1.00 0.00 C ATOM 543 C ASP A 33 -1.875 39.173 8.771 1.00 0.00 C ATOM 544 O ASP A 33 -2.456 39.024 7.697 1.00 0.00 O ATOM 545 CB ASP A 33 -3.332 41.146 9.265 1.00 0.00 C ATOM 546 CG ASP A 33 -4.232 41.815 10.286 1.00 0.00 C ATOM 547 OD1 ASP A 33 -3.726 42.648 11.067 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.442 41.505 10.305 1.00 0.00 O ATOM 0 H ASP A 33 -1.578 40.419 11.727 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.123 39.395 10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.676 41.893 8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.942 40.736 8.460 1.00 0.00 H new ATOM 553 N GLU A 34 -0.699 38.615 9.042 1.00 0.00 N ATOM 554 CA GLU A 34 -0.010 37.776 8.069 1.00 0.00 C ATOM 555 C GLU A 34 0.638 36.573 8.750 1.00 0.00 C ATOM 556 O GLU A 34 0.535 36.405 9.964 1.00 0.00 O ATOM 557 CB GLU A 34 1.052 38.587 7.324 1.00 0.00 C ATOM 558 CG GLU A 34 0.489 39.436 6.197 1.00 0.00 C ATOM 559 CD GLU A 34 0.315 38.655 4.909 1.00 0.00 C ATOM 560 OE1 GLU A 34 0.848 37.529 4.822 1.00 0.00 O ATOM 561 OE2 GLU A 34 -0.352 39.170 3.987 1.00 0.00 O ATOM 0 H GLU A 34 -0.204 38.729 9.927 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.748 37.413 7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.566 39.235 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.798 37.905 6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.474 39.846 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.153 40.282 6.018 1.00 0.00 H new ATOM 568 N GLU A 35 1.304 35.740 7.957 1.00 0.00 N ATOM 569 CA GLU A 35 1.967 34.552 8.482 1.00 0.00 C ATOM 570 C GLU A 35 3.440 34.532 8.087 1.00 0.00 C ATOM 571 O GLU A 35 3.777 34.582 6.904 1.00 0.00 O ATOM 572 CB GLU A 35 1.273 33.286 7.974 1.00 0.00 C ATOM 573 CG GLU A 35 1.070 33.267 6.468 1.00 0.00 C ATOM 574 CD GLU A 35 -0.385 33.091 6.079 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.121 32.415 6.827 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.787 33.628 5.025 1.00 0.00 O ATOM 0 H GLU A 35 1.399 35.866 6.949 1.00 0.00 H new ATOM 0 HA GLU A 35 1.901 34.581 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.863 32.417 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.304 33.191 8.464 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.446 34.197 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.658 32.458 6.036 1.00 0.00 H new ATOM 583 N ARG A 36 4.314 34.458 9.086 1.00 0.00 N ATOM 584 CA ARG A 36 5.752 34.433 8.843 1.00 0.00 C ATOM 585 C ARG A 36 6.370 33.142 9.373 1.00 0.00 C ATOM 586 O ARG A 36 5.789 32.467 10.224 1.00 0.00 O ATOM 587 CB ARG A 36 6.423 35.640 9.501 1.00 0.00 C ATOM 588 CG ARG A 36 5.685 36.949 9.268 1.00 0.00 C ATOM 589 CD ARG A 36 6.625 38.039 8.778 1.00 0.00 C ATOM 590 NE ARG A 36 6.693 38.088 7.320 1.00 0.00 N ATOM 591 CZ ARG A 36 7.336 39.035 6.645 1.00 0.00 C ATOM 592 NH1 ARG A 36 7.963 40.006 7.295 1.00 0.00 N ATOM 593 NH2 ARG A 36 7.352 39.012 5.319 1.00 0.00 N ATOM 0 H ARG A 36 4.052 34.414 10.071 1.00 0.00 H new ATOM 0 HA ARG A 36 5.914 34.478 7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.500 35.462 10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.440 35.733 9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.892 36.795 8.537 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.207 37.268 10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.290 39.004 9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.623 37.866 9.182 1.00 0.00 H new ATOM 0 HE ARG A 36 6.221 37.355 6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.952 40.027 8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.456 40.732 6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.870 38.267 4.816 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.846 39.740 4.802 1.00 0.00 H new ATOM 607 N LEU A 37 7.550 32.806 8.864 1.00 0.00 N ATOM 608 CA LEU A 37 8.247 31.596 9.285 1.00 0.00 C ATOM 609 C LEU A 37 9.076 31.854 10.540 1.00 0.00 C ATOM 610 O LEU A 37 10.083 32.559 10.496 1.00 0.00 O ATOM 611 CB LEU A 37 9.150 31.086 8.160 1.00 0.00 C ATOM 612 CG LEU A 37 9.765 29.701 8.369 1.00 0.00 C ATOM 613 CD1 LEU A 37 8.872 28.625 7.770 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.158 29.640 7.761 1.00 0.00 C ATOM 0 H LEU A 37 8.044 33.354 8.160 1.00 0.00 H new ATOM 0 HA LEU A 37 7.499 30.837 9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.572 31.069 7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.959 31.803 8.017 1.00 0.00 H new ATOM 0 HG LEU A 37 9.849 29.519 9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.325 27.646 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.894 28.654 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.756 28.802 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.581 28.648 7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.097 29.843 6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.795 30.386 8.236 1.00 0.00 H new ATOM 626 N ALA A 38 8.646 31.275 11.656 1.00 0.00 N ATOM 627 CA ALA A 38 9.350 31.439 12.922 1.00 0.00 C ATOM 628 C ALA A 38 10.001 30.132 13.361 1.00 0.00 C ATOM 629 O ALA A 38 9.383 29.070 13.301 1.00 0.00 O ATOM 630 CB ALA A 38 8.396 31.942 13.996 1.00 0.00 C ATOM 0 H ALA A 38 7.813 30.688 11.709 1.00 0.00 H new ATOM 0 HA ALA A 38 10.139 32.177 12.777 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.936 32.060 14.936 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.981 32.903 13.693 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.587 31.224 14.130 1.00 0.00 H new ATOM 636 N GLU A 39 11.253 30.218 13.800 1.00 0.00 N ATOM 637 CA GLU A 39 11.988 29.040 14.247 1.00 0.00 C ATOM 638 C GLU A 39 11.985 28.942 15.769 1.00 0.00 C ATOM 639 O GLU A 39 12.295 29.910 16.465 1.00 0.00 O ATOM 640 CB GLU A 39 13.428 29.084 13.731 1.00 0.00 C ATOM 641 CG GLU A 39 14.323 28.013 14.332 1.00 0.00 C ATOM 642 CD GLU A 39 15.621 27.841 13.568 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.722 28.370 12.441 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.537 27.177 14.097 1.00 0.00 O ATOM 0 H GLU A 39 11.779 31.090 13.856 1.00 0.00 H new ATOM 0 HA GLU A 39 11.491 28.158 13.842 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.420 28.973 12.647 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.853 30.064 13.948 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.547 28.271 15.367 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.787 27.064 14.348 1.00 0.00 H new ATOM 651 N ILE A 40 11.631 27.768 16.280 1.00 0.00 N ATOM 652 CA ILE A 40 11.587 27.543 17.720 1.00 0.00 C ATOM 653 C ILE A 40 12.978 27.654 18.336 1.00 0.00 C ATOM 654 O ILE A 40 13.968 27.222 17.743 1.00 0.00 O ATOM 655 CB ILE A 40 10.998 26.161 18.056 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.609 26.009 17.433 1.00 0.00 C ATOM 657 CG2 ILE A 40 10.933 25.965 19.563 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.576 26.943 18.024 1.00 0.00 C ATOM 0 H ILE A 40 11.370 26.957 15.718 1.00 0.00 H new ATOM 0 HA ILE A 40 10.943 28.315 18.141 1.00 0.00 H new ATOM 0 HB ILE A 40 11.649 25.394 17.637 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.679 26.190 16.360 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.273 24.980 17.562 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.514 24.983 19.785 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.937 26.035 19.983 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.301 26.737 20.003 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.616 26.780 17.535 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.477 26.747 19.092 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.890 27.976 17.872 1.00 0.00 H new ATOM 670 N LEU A 41 13.045 28.234 19.529 1.00 0.00 N ATOM 671 CA LEU A 41 14.315 28.401 20.228 1.00 0.00 C ATOM 672 C LEU A 41 14.324 27.615 21.535 1.00 0.00 C ATOM 673 O LEU A 41 15.348 27.055 21.927 1.00 0.00 O ATOM 674 CB LEU A 41 14.575 29.882 20.508 1.00 0.00 C ATOM 675 CG LEU A 41 15.041 30.719 19.316 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.250 32.167 19.730 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.319 30.141 18.726 1.00 0.00 C ATOM 0 H LEU A 41 12.235 28.597 20.033 1.00 0.00 H new ATOM 0 HA LEU A 41 15.108 28.015 19.588 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.659 30.323 20.900 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.326 29.956 21.294 1.00 0.00 H new ATOM 0 HG LEU A 41 14.266 30.690 18.550 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.581 32.747 18.869 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.312 32.577 20.105 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.006 32.216 20.513 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.636 30.749 17.879 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.102 30.139 19.485 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.136 29.120 18.391 1.00 0.00 H new ATOM 689 N SER A 42 13.176 27.576 22.204 1.00 0.00 N ATOM 690 CA SER A 42 13.052 26.860 23.468 1.00 0.00 C ATOM 691 C SER A 42 11.586 26.615 23.812 1.00 0.00 C ATOM 692 O SER A 42 10.687 27.123 23.142 1.00 0.00 O ATOM 693 CB SER A 42 13.728 27.647 24.593 1.00 0.00 C ATOM 694 OG SER A 42 14.599 26.819 25.343 1.00 0.00 O ATOM 0 H SER A 42 12.319 28.032 21.892 1.00 0.00 H new ATOM 0 HA SER A 42 13.548 25.895 23.361 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.288 28.482 24.171 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.969 28.072 25.250 1.00 0.00 H new ATOM 0 HG SER A 42 15.020 27.346 26.054 1.00 0.00 H new ATOM 700 N ILE A 43 11.354 25.834 24.862 1.00 0.00 N ATOM 701 CA ILE A 43 9.998 25.522 25.296 1.00 0.00 C ATOM 702 C ILE A 43 9.814 25.822 26.780 1.00 0.00 C ATOM 703 O ILE A 43 10.721 25.613 27.583 1.00 0.00 O ATOM 704 CB ILE A 43 9.649 24.045 25.036 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.911 23.687 23.571 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.198 23.771 25.401 1.00 0.00 C ATOM 707 CD1 ILE A 43 9.794 22.207 23.281 1.00 0.00 C ATOM 0 H ILE A 43 12.087 25.406 25.427 1.00 0.00 H new ATOM 0 HA ILE A 43 9.327 26.153 24.713 1.00 0.00 H new ATOM 0 HB ILE A 43 10.285 23.421 25.663 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.206 24.229 22.941 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.910 24.025 23.296 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.967 22.723 25.212 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.040 23.992 26.457 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.546 24.401 24.797 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.992 22.026 22.224 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.518 21.660 23.885 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.787 21.867 23.525 1.00 0.00 H new ATOM 719 N ASN A 44 8.631 26.313 27.136 1.00 0.00 N ATOM 720 CA ASN A 44 8.326 26.641 28.524 1.00 0.00 C ATOM 721 C ASN A 44 6.944 26.125 28.914 1.00 0.00 C ATOM 722 O ASN A 44 5.927 26.749 28.611 1.00 0.00 O ATOM 723 CB ASN A 44 8.397 28.154 28.740 1.00 0.00 C ATOM 724 CG ASN A 44 8.155 28.544 30.185 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.961 28.242 31.065 1.00 0.00 O ATOM 726 ND2 ASN A 44 7.039 29.219 30.436 1.00 0.00 N ATOM 0 H ASN A 44 7.868 26.492 26.483 1.00 0.00 H new ATOM 0 HA ASN A 44 9.068 26.155 29.157 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.376 28.517 28.428 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.658 28.644 28.106 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.822 29.509 31.390 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.399 29.448 29.675 1.00 0.00 H new ATOM 733 N THR A 45 6.915 24.980 29.590 1.00 0.00 N ATOM 734 CA THR A 45 5.659 24.380 30.022 1.00 0.00 C ATOM 735 C THR A 45 5.382 24.679 31.491 1.00 0.00 C ATOM 736 O THR A 45 5.355 23.774 32.324 1.00 0.00 O ATOM 737 CB THR A 45 5.666 22.853 29.814 1.00 0.00 C ATOM 738 OG1 THR A 45 6.757 22.266 30.531 1.00 0.00 O ATOM 739 CG2 THR A 45 5.780 22.509 28.336 1.00 0.00 C ATOM 0 H THR A 45 7.747 24.450 29.850 1.00 0.00 H new ATOM 0 HA THR A 45 4.872 24.820 29.410 1.00 0.00 H new ATOM 0 HB THR A 45 4.726 22.452 30.193 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.662 22.460 31.487 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.783 21.426 28.214 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.932 22.933 27.797 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.706 22.922 27.937 1.00 0.00 H new ATOM 747 N ARG A 46 5.177 25.955 31.801 1.00 0.00 N ATOM 748 CA ARG A 46 4.902 26.374 33.170 1.00 0.00 C ATOM 749 C ARG A 46 3.533 27.039 33.271 1.00 0.00 C ATOM 750 O ARG A 46 3.180 27.606 34.306 1.00 0.00 O ATOM 751 CB ARG A 46 5.986 27.337 33.659 1.00 0.00 C ATOM 752 CG ARG A 46 7.257 26.641 34.119 1.00 0.00 C ATOM 753 CD ARG A 46 7.111 26.089 35.528 1.00 0.00 C ATOM 754 NE ARG A 46 8.386 25.626 36.069 1.00 0.00 N ATOM 755 CZ ARG A 46 8.502 24.980 37.224 1.00 0.00 C ATOM 756 NH1 ARG A 46 7.427 24.722 37.955 1.00 0.00 N ATOM 757 NH2 ARG A 46 9.697 24.591 37.650 1.00 0.00 N ATOM 0 H ARG A 46 5.196 26.716 31.123 1.00 0.00 H new ATOM 0 HA ARG A 46 4.903 25.486 33.802 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.232 28.031 32.856 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.588 27.930 34.482 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.498 25.829 33.432 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.090 27.343 34.087 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.700 26.861 36.179 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.399 25.264 35.522 1.00 0.00 H new ATOM 0 HE ARG A 46 9.233 25.808 35.531 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.507 25.020 37.631 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.520 24.226 38.841 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.527 24.788 37.091 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.786 24.095 38.537 1.00 0.00 H new ATOM 771 N LYS A 47 2.765 26.967 32.189 1.00 0.00 N ATOM 772 CA LYS A 47 1.433 27.561 32.154 1.00 0.00 C ATOM 773 C LYS A 47 0.453 26.656 31.415 1.00 0.00 C ATOM 774 O LYS A 47 0.833 25.606 30.897 1.00 0.00 O ATOM 775 CB LYS A 47 1.483 28.934 31.481 1.00 0.00 C ATOM 776 CG LYS A 47 0.658 29.992 32.195 1.00 0.00 C ATOM 777 CD LYS A 47 1.518 30.840 33.118 1.00 0.00 C ATOM 778 CE LYS A 47 0.756 32.053 33.630 1.00 0.00 C ATOM 779 NZ LYS A 47 1.576 32.867 34.569 1.00 0.00 N ATOM 0 H LYS A 47 3.042 26.503 31.324 1.00 0.00 H new ATOM 0 HA LYS A 47 1.087 27.679 33.181 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.520 29.267 31.430 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.128 28.840 30.455 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.171 30.632 31.460 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.132 29.511 32.772 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.853 30.236 33.962 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.411 31.168 32.586 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.449 32.671 32.787 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.154 31.725 34.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.021 33.684 34.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.848 32.285 35.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.432 33.202 34.082 1.00 0.00 H new ATOM 793 N ALA A 48 -0.809 27.070 31.369 1.00 0.00 N ATOM 794 CA ALA A 48 -1.842 26.299 30.690 1.00 0.00 C ATOM 795 C ALA A 48 -2.797 27.211 29.928 1.00 0.00 C ATOM 796 O ALA A 48 -3.646 27.886 30.510 1.00 0.00 O ATOM 797 CB ALA A 48 -2.609 25.448 31.692 1.00 0.00 C ATOM 0 H ALA A 48 -1.140 27.936 31.794 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.355 25.643 29.969 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.378 24.877 31.171 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.922 24.763 32.189 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.077 26.094 32.435 1.00 0.00 H new ATOM 803 N PRO A 49 -2.657 27.234 28.594 1.00 0.00 N ATOM 804 CA PRO A 49 -1.649 26.434 27.890 1.00 0.00 C ATOM 805 C PRO A 49 -0.231 26.933 28.146 1.00 0.00 C ATOM 806 O PRO A 49 -0.017 28.040 28.641 1.00 0.00 O ATOM 807 CB PRO A 49 -2.021 26.613 26.416 1.00 0.00 C ATOM 808 CG PRO A 49 -2.740 27.917 26.362 1.00 0.00 C ATOM 809 CD PRO A 49 -3.470 28.042 27.670 1.00 0.00 C ATOM 0 HA PRO A 49 -1.649 25.395 28.221 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.134 26.623 25.782 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.654 25.797 26.066 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.041 28.742 26.225 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.435 27.945 25.523 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.536 29.080 27.996 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.490 27.665 27.598 1.00 0.00 H new ATOM 817 N PRO A 50 0.762 26.100 27.801 1.00 0.00 N ATOM 818 CA PRO A 50 2.177 26.436 27.984 1.00 0.00 C ATOM 819 C PRO A 50 2.638 27.536 27.034 1.00 0.00 C ATOM 820 O PRO A 50 1.853 28.057 26.241 1.00 0.00 O ATOM 821 CB PRO A 50 2.897 25.122 27.670 1.00 0.00 C ATOM 822 CG PRO A 50 1.967 24.386 26.768 1.00 0.00 C ATOM 823 CD PRO A 50 0.579 24.765 27.206 1.00 0.00 C ATOM 0 HA PRO A 50 2.379 26.820 28.984 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.857 25.303 27.187 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.099 24.555 28.578 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.136 24.659 25.726 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.120 23.309 26.844 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.115 24.791 26.366 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.177 24.055 27.929 1.00 0.00 H new ATOM 831 N LYS A 51 3.917 27.886 27.118 1.00 0.00 N ATOM 832 CA LYS A 51 4.485 28.923 26.265 1.00 0.00 C ATOM 833 C LYS A 51 5.696 28.397 25.501 1.00 0.00 C ATOM 834 O LYS A 51 6.319 27.415 25.906 1.00 0.00 O ATOM 835 CB LYS A 51 4.887 30.138 27.104 1.00 0.00 C ATOM 836 CG LYS A 51 3.709 30.993 27.540 1.00 0.00 C ATOM 837 CD LYS A 51 4.153 32.140 28.432 1.00 0.00 C ATOM 838 CE LYS A 51 3.224 33.338 28.302 1.00 0.00 C ATOM 839 NZ LYS A 51 3.772 34.541 28.989 1.00 0.00 N ATOM 0 H LYS A 51 4.580 27.466 27.769 1.00 0.00 H new ATOM 0 HA LYS A 51 3.724 29.222 25.544 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.424 29.796 27.989 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.579 30.753 26.529 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.201 31.390 26.661 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.987 30.375 28.073 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.177 31.807 29.470 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.169 32.435 28.169 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.066 33.562 27.247 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.250 33.090 28.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.110 35.336 28.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.899 34.335 30.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.689 34.793 28.569 1.00 0.00 H new ATOM 853 N PHE A 52 6.025 29.056 24.395 1.00 0.00 N ATOM 854 CA PHE A 52 7.162 28.655 23.575 1.00 0.00 C ATOM 855 C PHE A 52 7.931 29.875 23.077 1.00 0.00 C ATOM 856 O PHE A 52 7.362 30.953 22.905 1.00 0.00 O ATOM 857 CB PHE A 52 6.689 27.815 22.387 1.00 0.00 C ATOM 858 CG PHE A 52 5.922 26.588 22.787 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.592 26.679 23.166 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.530 25.343 22.784 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.884 25.551 23.536 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.827 24.211 23.153 1.00 0.00 C ATOM 863 CZ PHE A 52 4.502 24.315 23.528 1.00 0.00 C ATOM 0 H PHE A 52 5.520 29.871 24.046 1.00 0.00 H new ATOM 0 HA PHE A 52 7.830 28.055 24.192 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.062 28.432 21.743 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.555 27.516 21.796 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.103 27.642 23.172 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.566 25.256 22.490 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.849 25.636 23.831 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.313 23.247 23.148 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.950 23.432 23.814 1.00 0.00 H new ATOM 873 N TYR A 53 9.227 29.697 22.847 1.00 0.00 N ATOM 874 CA TYR A 53 10.075 30.783 22.371 1.00 0.00 C ATOM 875 C TYR A 53 10.300 30.679 20.866 1.00 0.00 C ATOM 876 O TYR A 53 10.892 29.716 20.379 1.00 0.00 O ATOM 877 CB TYR A 53 11.419 30.765 23.101 1.00 0.00 C ATOM 878 CG TYR A 53 12.069 32.126 23.207 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.355 33.224 23.673 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.396 32.314 22.843 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.945 34.469 23.771 1.00 0.00 C ATOM 882 CE2 TYR A 53 13.994 33.556 22.939 1.00 0.00 C ATOM 883 CZ TYR A 53 13.264 34.630 23.403 1.00 0.00 C ATOM 884 OH TYR A 53 13.855 35.869 23.501 1.00 0.00 O ATOM 0 H TYR A 53 9.713 28.811 22.983 1.00 0.00 H new ATOM 0 HA TYR A 53 9.568 31.725 22.580 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.273 30.362 24.103 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.096 30.088 22.581 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.322 33.102 23.963 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.970 31.475 22.479 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.376 35.312 24.134 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.027 33.685 22.652 1.00 0.00 H new ATOM 0 HH TYR A 53 14.601 35.927 22.868 1.00 0.00 H new ATOM 894 N VAL A 54 9.822 31.680 20.133 1.00 0.00 N ATOM 895 CA VAL A 54 9.971 31.705 18.683 1.00 0.00 C ATOM 896 C VAL A 54 10.891 32.839 18.244 1.00 0.00 C ATOM 897 O VAL A 54 11.041 33.838 18.948 1.00 0.00 O ATOM 898 CB VAL A 54 8.609 31.862 17.981 1.00 0.00 C ATOM 899 CG1 VAL A 54 7.814 30.568 18.062 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.827 33.017 18.589 1.00 0.00 C ATOM 0 H VAL A 54 9.328 32.484 20.520 1.00 0.00 H new ATOM 0 HA VAL A 54 10.412 30.751 18.394 1.00 0.00 H new ATOM 0 HB VAL A 54 8.785 32.086 16.929 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.855 30.698 17.561 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.372 29.767 17.576 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.645 30.310 19.107 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.867 33.114 18.081 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.659 32.825 19.649 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.394 33.941 18.473 1.00 0.00 H new ATOM 910 N HIS A 55 11.504 32.678 17.076 1.00 0.00 N ATOM 911 CA HIS A 55 12.409 33.690 16.541 1.00 0.00 C ATOM 912 C HIS A 55 12.213 33.854 15.037 1.00 0.00 C ATOM 913 O HIS A 55 12.419 32.915 14.268 1.00 0.00 O ATOM 914 CB HIS A 55 13.861 33.315 16.841 1.00 0.00 C ATOM 915 CG HIS A 55 14.854 34.028 15.976 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.768 35.372 15.682 1.00 0.00 N ATOM 917 CD2 HIS A 55 15.960 33.576 15.341 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.777 35.716 14.903 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.516 34.644 14.681 1.00 0.00 N ATOM 0 H HIS A 55 11.391 31.857 16.482 1.00 0.00 H new ATOM 0 HA HIS A 55 12.180 34.640 17.024 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.076 33.537 17.886 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.984 32.240 16.711 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.336 32.563 15.351 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.966 36.705 14.514 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.362 34.614 14.112 1.00 0.00 H new ATOM 927 N TYR A 56 11.813 35.051 14.625 1.00 0.00 N ATOM 928 CA TYR A 56 11.586 35.337 13.213 1.00 0.00 C ATOM 929 C TYR A 56 12.891 35.265 12.426 1.00 0.00 C ATOM 930 O TYR A 56 13.746 36.144 12.536 1.00 0.00 O ATOM 931 CB TYR A 56 10.953 36.720 13.047 1.00 0.00 C ATOM 932 CG TYR A 56 9.594 36.846 13.698 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.436 36.518 13.003 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.468 37.293 15.007 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.193 36.633 13.594 1.00 0.00 C ATOM 936 CE2 TYR A 56 8.229 37.409 15.606 1.00 0.00 C ATOM 937 CZ TYR A 56 7.094 37.078 14.895 1.00 0.00 C ATOM 938 OH TYR A 56 5.857 37.193 15.488 1.00 0.00 O ATOM 0 H TYR A 56 11.639 35.839 15.248 1.00 0.00 H new ATOM 0 HA TYR A 56 10.904 34.583 12.820 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.621 37.469 13.472 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.859 36.942 11.984 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.509 36.167 11.984 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.354 37.554 15.566 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.303 36.375 13.039 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.149 37.757 16.625 1.00 0.00 H new ATOM 0 HH TYR A 56 5.942 37.044 16.453 1.00 0.00 H new ATOM 948 N VAL A 57 13.037 34.210 11.631 1.00 0.00 N ATOM 949 CA VAL A 57 14.236 34.021 10.823 1.00 0.00 C ATOM 950 C VAL A 57 14.420 35.169 9.836 1.00 0.00 C ATOM 951 O VAL A 57 15.541 35.498 9.454 1.00 0.00 O ATOM 952 CB VAL A 57 14.185 32.693 10.045 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.461 32.496 9.240 1.00 0.00 C ATOM 954 CG2 VAL A 57 13.961 31.527 10.997 1.00 0.00 C ATOM 0 H VAL A 57 12.340 33.473 11.529 1.00 0.00 H new ATOM 0 HA VAL A 57 15.081 33.998 11.511 1.00 0.00 H new ATOM 0 HB VAL A 57 13.347 32.731 9.349 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.407 31.552 8.697 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.574 33.316 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.317 32.478 9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.928 30.596 10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.777 31.484 11.718 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.017 31.665 11.525 1.00 0.00 H new ATOM 964 N ASN A 58 13.309 35.774 9.428 1.00 0.00 N ATOM 965 CA ASN A 58 13.347 36.886 8.485 1.00 0.00 C ATOM 966 C ASN A 58 13.824 38.163 9.169 1.00 0.00 C ATOM 967 O ASN A 58 14.325 39.080 8.517 1.00 0.00 O ATOM 968 CB ASN A 58 11.964 37.109 7.871 1.00 0.00 C ATOM 969 CG ASN A 58 10.864 37.131 8.915 1.00 0.00 C ATOM 970 OD1 ASN A 58 10.467 38.194 9.392 1.00 0.00 O ATOM 971 ND2 ASN A 58 10.367 35.953 9.276 1.00 0.00 N ATOM 0 H ASN A 58 12.372 35.513 9.735 1.00 0.00 H new ATOM 0 HA ASN A 58 14.052 36.634 7.693 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.960 38.052 7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.759 36.320 7.148 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.626 35.905 9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.727 35.097 8.854 1.00 0.00 H new ATOM 978 N TYR A 59 13.666 38.217 10.487 1.00 0.00 N ATOM 979 CA TYR A 59 14.078 39.382 11.260 1.00 0.00 C ATOM 980 C TYR A 59 15.292 39.059 12.126 1.00 0.00 C ATOM 981 O TYR A 59 15.844 37.962 12.057 1.00 0.00 O ATOM 982 CB TYR A 59 12.926 39.871 12.139 1.00 0.00 C ATOM 983 CG TYR A 59 11.768 40.445 11.355 1.00 0.00 C ATOM 984 CD1 TYR A 59 11.980 41.373 10.343 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.461 40.057 11.625 1.00 0.00 C ATOM 986 CE1 TYR A 59 10.924 41.900 9.625 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.399 40.578 10.911 1.00 0.00 C ATOM 988 CZ TYR A 59 9.636 41.500 9.912 1.00 0.00 C ATOM 989 OH TYR A 59 8.582 42.022 9.198 1.00 0.00 O ATOM 0 H TYR A 59 13.255 37.467 11.042 1.00 0.00 H new ATOM 0 HA TYR A 59 14.353 40.172 10.561 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.566 39.041 12.747 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.301 40.630 12.826 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.987 41.688 10.114 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.272 39.336 12.406 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.106 42.622 8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.389 40.266 11.133 1.00 0.00 H new ATOM 0 HH TYR A 59 7.743 41.635 9.524 1.00 0.00 H new ATOM 999 N ASN A 60 15.702 40.025 12.943 1.00 0.00 N ATOM 1000 CA ASN A 60 16.850 39.845 13.823 1.00 0.00 C ATOM 1001 C ASN A 60 16.454 39.082 15.084 1.00 0.00 C ATOM 1002 O ASN A 60 15.275 38.816 15.318 1.00 0.00 O ATOM 1003 CB ASN A 60 17.447 41.202 14.201 1.00 0.00 C ATOM 1004 CG ASN A 60 18.267 41.806 13.077 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.438 41.473 12.900 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.652 42.701 12.312 1.00 0.00 N ATOM 0 H ASN A 60 15.256 40.940 13.013 1.00 0.00 H new ATOM 0 HA ASN A 60 17.599 39.263 13.287 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.643 41.887 14.470 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.076 41.086 15.084 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.152 43.143 11.541 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.679 42.947 12.496 1.00 0.00 H new ATOM 1013 N LYS A 61 17.448 38.734 15.894 1.00 0.00 N ATOM 1014 CA LYS A 61 17.206 38.004 17.133 1.00 0.00 C ATOM 1015 C LYS A 61 16.487 38.883 18.151 1.00 0.00 C ATOM 1016 O LYS A 61 16.014 38.398 19.179 1.00 0.00 O ATOM 1017 CB LYS A 61 18.527 37.501 17.720 1.00 0.00 C ATOM 1018 CG LYS A 61 19.135 36.343 16.946 1.00 0.00 C ATOM 1019 CD LYS A 61 19.879 36.826 15.713 1.00 0.00 C ATOM 1020 CE LYS A 61 20.895 35.799 15.238 1.00 0.00 C ATOM 1021 NZ LYS A 61 21.844 36.375 14.245 1.00 0.00 N ATOM 0 H LYS A 61 18.429 38.946 15.715 1.00 0.00 H new ATOM 0 HA LYS A 61 16.569 37.150 16.903 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.241 38.325 17.745 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.362 37.191 18.752 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.818 35.792 17.592 1.00 0.00 H new ATOM 0 HG3 LYS A 61 18.348 35.650 16.649 1.00 0.00 H new ATOM 0 HD2 LYS A 61 19.167 37.031 14.914 1.00 0.00 H new ATOM 0 HD3 LYS A 61 20.386 37.765 15.937 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.452 35.417 16.093 1.00 0.00 H new ATOM 0 HE3 LYS A 61 20.374 34.952 14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 22.520 35.643 13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 21.315 36.717 13.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.360 37.168 14.677 1.00 0.00 H new ATOM 1035 N ARG A 62 16.409 40.177 17.858 1.00 0.00 N ATOM 1036 CA ARG A 62 15.748 41.123 18.749 1.00 0.00 C ATOM 1037 C ARG A 62 14.235 41.086 18.555 1.00 0.00 C ATOM 1038 O ARG A 62 13.495 41.814 19.218 1.00 0.00 O ATOM 1039 CB ARG A 62 16.270 42.540 18.501 1.00 0.00 C ATOM 1040 CG ARG A 62 15.876 43.106 17.147 1.00 0.00 C ATOM 1041 CD ARG A 62 16.763 44.276 16.753 1.00 0.00 C ATOM 1042 NE ARG A 62 16.807 45.304 17.790 1.00 0.00 N ATOM 1043 CZ ARG A 62 17.321 46.514 17.604 1.00 0.00 C ATOM 1044 NH1 ARG A 62 17.831 46.847 16.426 1.00 0.00 N ATOM 1045 NH2 ARG A 62 17.324 47.395 18.596 1.00 0.00 N ATOM 0 H ARG A 62 16.795 40.594 17.011 1.00 0.00 H new ATOM 0 HA ARG A 62 15.973 40.835 19.776 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.894 43.199 19.284 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.357 42.537 18.582 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.946 42.324 16.390 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.836 43.430 17.176 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.773 43.915 16.557 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.395 44.713 15.825 1.00 0.00 H new ATOM 0 HE ARG A 62 16.422 45.080 18.707 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.829 46.173 15.660 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.225 47.777 16.286 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.931 47.143 19.503 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.719 48.324 18.452 1.00 0.00 H new ATOM 1059 N LEU A 63 13.781 40.235 17.641 1.00 0.00 N ATOM 1060 CA LEU A 63 12.356 40.103 17.358 1.00 0.00 C ATOM 1061 C LEU A 63 11.769 38.891 18.075 1.00 0.00 C ATOM 1062 O LEU A 63 10.575 38.851 18.370 1.00 0.00 O ATOM 1063 CB LEU A 63 12.124 39.981 15.851 1.00 0.00 C ATOM 1064 CG LEU A 63 11.832 41.285 15.109 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.582 41.949 15.667 1.00 0.00 C ATOM 1066 CD2 LEU A 63 13.024 42.228 15.199 1.00 0.00 C ATOM 0 H LEU A 63 14.379 39.626 17.083 1.00 0.00 H new ATOM 0 HA LEU A 63 11.853 40.998 17.725 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.006 39.522 15.404 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.291 39.298 15.686 1.00 0.00 H new ATOM 0 HG LEU A 63 11.656 41.051 14.059 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.390 42.876 15.126 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.731 41.278 15.551 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.728 42.169 16.724 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.799 43.151 14.665 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.230 42.455 16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.897 41.754 14.751 1.00 0.00 H new ATOM 1078 N ASP A 64 12.617 37.907 18.353 1.00 0.00 N ATOM 1079 CA ASP A 64 12.183 36.695 19.038 1.00 0.00 C ATOM 1080 C ASP A 64 11.433 37.035 20.322 1.00 0.00 C ATOM 1081 O ASP A 64 11.603 38.118 20.882 1.00 0.00 O ATOM 1082 CB ASP A 64 13.385 35.804 19.355 1.00 0.00 C ATOM 1083 CG ASP A 64 14.229 36.353 20.488 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.136 37.568 20.764 1.00 0.00 O ATOM 1085 OD2 ASP A 64 14.983 35.568 21.101 1.00 0.00 O ATOM 0 H ASP A 64 13.609 37.925 18.115 1.00 0.00 H new ATOM 0 HA ASP A 64 11.506 36.156 18.375 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.035 34.806 19.617 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.002 35.701 18.463 1.00 0.00 H new ATOM 1090 N GLU A 65 10.604 36.104 20.782 1.00 0.00 N ATOM 1091 CA GLU A 65 9.827 36.307 21.999 1.00 0.00 C ATOM 1092 C GLU A 65 9.065 35.040 22.377 1.00 0.00 C ATOM 1093 O GLU A 65 9.230 33.994 21.749 1.00 0.00 O ATOM 1094 CB GLU A 65 8.848 37.469 21.818 1.00 0.00 C ATOM 1095 CG GLU A 65 7.744 37.184 20.813 1.00 0.00 C ATOM 1096 CD GLU A 65 6.927 38.416 20.479 1.00 0.00 C ATOM 1097 OE1 GLU A 65 6.488 39.111 21.419 1.00 0.00 O ATOM 1098 OE2 GLU A 65 6.727 38.686 19.276 1.00 0.00 O ATOM 0 H GLU A 65 10.453 35.202 20.331 1.00 0.00 H new ATOM 0 HA GLU A 65 10.520 36.547 22.805 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.398 37.707 22.782 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.401 38.352 21.497 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.184 36.786 19.899 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.085 36.413 21.212 1.00 0.00 H new ATOM 1105 N TRP A 66 8.232 35.142 23.406 1.00 0.00 N ATOM 1106 CA TRP A 66 7.445 34.004 23.868 1.00 0.00 C ATOM 1107 C TRP A 66 6.016 34.082 23.342 1.00 0.00 C ATOM 1108 O TRP A 66 5.326 35.083 23.539 1.00 0.00 O ATOM 1109 CB TRP A 66 7.437 33.951 25.396 1.00 0.00 C ATOM 1110 CG TRP A 66 8.759 33.558 25.984 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.732 34.398 26.446 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.253 32.227 26.169 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.801 33.669 26.908 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.532 32.335 26.750 1.00 0.00 C ATOM 1115 CE3 TRP A 66 8.739 30.955 25.903 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.301 31.219 27.067 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 9.504 29.848 26.218 1.00 0.00 C ATOM 1118 CH2 TRP A 66 10.773 29.986 26.796 1.00 0.00 C ATOM 0 H TRP A 66 8.084 36.001 23.936 1.00 0.00 H new ATOM 0 HA TRP A 66 7.905 33.094 23.482 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.151 34.928 25.785 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.677 33.242 25.724 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.670 35.476 26.448 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.656 34.058 27.304 1.00 0.00 H new ATOM 0 HE3 TRP A 66 7.761 30.839 25.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.280 31.323 27.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.117 28.860 26.015 1.00 0.00 H new ATOM 0 HH2 TRP A 66 11.346 29.101 27.032 1.00 0.00 H new ATOM 1129 N ILE A 67 5.578 33.020 22.674 1.00 0.00 N ATOM 1130 CA ILE A 67 4.230 32.969 22.122 1.00 0.00 C ATOM 1131 C ILE A 67 3.459 31.770 22.664 1.00 0.00 C ATOM 1132 O ILE A 67 4.051 30.781 23.098 1.00 0.00 O ATOM 1133 CB ILE A 67 4.254 32.896 20.584 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.018 31.654 20.122 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.879 34.156 20.004 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.757 31.285 18.678 1.00 0.00 C ATOM 0 H ILE A 67 6.137 32.184 22.502 1.00 0.00 H new ATOM 0 HA ILE A 67 3.729 33.888 22.427 1.00 0.00 H new ATOM 0 HB ILE A 67 3.228 32.823 20.222 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.086 31.823 20.258 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.745 30.812 20.758 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.889 34.090 18.916 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.296 35.025 20.309 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.900 34.257 20.371 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.332 30.395 18.420 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.695 31.083 18.540 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.056 32.110 18.032 1.00 0.00 H new ATOM 1148 N THR A 68 2.133 31.863 22.635 1.00 0.00 N ATOM 1149 CA THR A 68 1.280 30.787 23.123 1.00 0.00 C ATOM 1150 C THR A 68 0.740 29.948 21.970 1.00 0.00 C ATOM 1151 O THR A 68 0.946 30.274 20.801 1.00 0.00 O ATOM 1152 CB THR A 68 0.096 31.335 23.942 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.267 32.637 23.467 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.448 31.409 25.420 1.00 0.00 C ATOM 0 H THR A 68 1.627 32.673 22.278 1.00 0.00 H new ATOM 0 HA THR A 68 1.898 30.161 23.767 1.00 0.00 H new ATOM 0 HB THR A 68 -0.747 30.655 23.820 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.021 32.978 23.991 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.404 31.799 25.978 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.696 30.412 25.785 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.305 32.069 25.557 1.00 0.00 H new ATOM 1162 N THR A 69 0.047 28.864 22.307 1.00 0.00 N ATOM 1163 CA THR A 69 -0.522 27.978 21.299 1.00 0.00 C ATOM 1164 C THR A 69 -1.407 28.747 20.327 1.00 0.00 C ATOM 1165 O THR A 69 -1.345 28.536 19.115 1.00 0.00 O ATOM 1166 CB THR A 69 -1.348 26.850 21.946 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.482 27.401 22.624 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.502 26.053 22.928 1.00 0.00 C ATOM 0 H THR A 69 -0.133 28.579 23.270 1.00 0.00 H new ATOM 0 HA THR A 69 0.315 27.540 20.754 1.00 0.00 H new ATOM 0 HB THR A 69 -1.687 26.180 21.156 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.003 26.678 23.031 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.107 25.263 23.372 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.345 25.610 22.403 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.136 26.714 23.714 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.231 29.641 20.864 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.129 30.444 20.042 1.00 0.00 C ATOM 1178 C ASP A 70 -2.340 31.351 19.102 1.00 0.00 C ATOM 1179 O ASP A 70 -2.886 31.887 18.138 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.051 31.284 20.927 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.167 30.464 21.543 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -5.039 29.222 21.583 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -6.169 31.064 21.985 1.00 0.00 O ATOM 0 H ASP A 70 -2.295 29.828 21.865 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.735 29.766 19.440 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.465 31.748 21.720 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.482 32.091 20.335 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.054 31.519 19.391 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.191 32.363 18.574 1.00 0.00 C ATOM 1190 C ARG A 71 0.637 31.520 17.608 1.00 0.00 C ATOM 1191 O ARG A 71 1.624 31.994 17.045 1.00 0.00 O ATOM 1192 CB ARG A 71 0.734 33.196 19.463 1.00 0.00 C ATOM 1193 CG ARG A 71 0.003 34.229 20.304 1.00 0.00 C ATOM 1194 CD ARG A 71 0.908 35.397 20.664 1.00 0.00 C ATOM 1195 NE ARG A 71 0.152 36.543 21.160 1.00 0.00 N ATOM 1196 CZ ARG A 71 -0.303 36.640 22.404 1.00 0.00 C ATOM 1197 NH1 ARG A 71 -0.079 35.665 23.274 1.00 0.00 N ATOM 1198 NH2 ARG A 71 -0.984 37.715 22.781 1.00 0.00 N ATOM 0 H ARG A 71 -0.587 31.082 20.185 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.825 33.033 17.993 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.287 32.528 20.123 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.467 33.703 18.836 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.866 34.596 19.757 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.368 33.761 21.216 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.624 35.080 21.422 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.483 35.694 19.787 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.037 37.311 20.516 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.444 34.837 22.989 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.430 35.743 24.229 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.158 38.468 22.115 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.333 37.788 23.737 1.00 0.00 H new ATOM 1212 N ILE A 72 0.229 30.269 17.423 1.00 0.00 N ATOM 1213 CA ILE A 72 0.932 29.362 16.526 1.00 0.00 C ATOM 1214 C ILE A 72 0.055 28.968 15.342 1.00 0.00 C ATOM 1215 O ILE A 72 -1.156 28.803 15.482 1.00 0.00 O ATOM 1216 CB ILE A 72 1.388 28.086 17.259 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.312 28.444 18.425 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.087 27.141 16.293 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.508 27.313 19.410 1.00 0.00 C ATOM 0 H ILE A 72 -0.585 29.861 17.883 1.00 0.00 H new ATOM 0 HA ILE A 72 1.810 29.897 16.163 1.00 0.00 H new ATOM 0 HB ILE A 72 0.509 27.581 17.659 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.283 28.743 18.030 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.902 29.306 18.951 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.403 26.244 16.826 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.400 26.864 15.493 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.959 27.636 15.867 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.174 27.638 20.209 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.545 27.028 19.833 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.947 26.457 18.898 1.00 0.00 H new ATOM 1231 N ASN A 73 0.675 28.818 14.176 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.049 28.443 12.968 1.00 0.00 C ATOM 1233 C ASN A 73 0.107 26.952 12.681 1.00 0.00 C ATOM 1234 O ASN A 73 1.153 26.506 12.210 1.00 0.00 O ATOM 1235 CB ASN A 73 0.452 29.258 11.774 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.576 29.347 10.662 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -1.132 28.336 10.233 1.00 0.00 O ATOM 1238 ND2 ASN A 73 -0.834 30.561 10.190 1.00 0.00 N ATOM 0 H ASN A 73 1.678 28.951 14.043 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.106 28.656 13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.711 30.263 12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.365 28.806 11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.517 30.683 9.442 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.349 31.372 10.575 1.00 0.00 H new ATOM 1245 N LEU A 74 -0.941 26.188 12.968 1.00 0.00 N ATOM 1246 CA LEU A 74 -0.922 24.747 12.741 1.00 0.00 C ATOM 1247 C LEU A 74 -1.521 24.402 11.381 1.00 0.00 C ATOM 1248 O LEU A 74 -1.934 23.267 11.144 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.693 24.026 13.848 1.00 0.00 C ATOM 1250 CG LEU A 74 -0.890 23.663 15.098 1.00 0.00 C ATOM 1251 CD1 LEU A 74 0.187 22.643 14.764 1.00 0.00 C ATOM 1252 CD2 LEU A 74 -0.273 24.910 15.716 1.00 0.00 C ATOM 0 H LEU A 74 -1.814 26.542 13.358 1.00 0.00 H new ATOM 0 HA LEU A 74 0.116 24.416 12.755 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.531 24.655 14.149 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.115 23.111 13.433 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.569 23.218 15.826 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.748 22.397 15.666 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.277 21.740 14.368 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.864 23.060 14.018 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.295 24.633 16.604 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.392 25.383 14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.063 25.608 15.993 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.563 25.388 10.492 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.108 25.188 9.154 1.00 0.00 C ATOM 1266 C ASP A 75 -0.989 24.997 8.134 1.00 0.00 C ATOM 1267 O ASP A 75 -1.207 24.452 7.052 1.00 0.00 O ATOM 1268 CB ASP A 75 -2.982 26.378 8.754 1.00 0.00 C ATOM 1269 CG ASP A 75 -3.960 26.031 7.648 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -3.572 26.118 6.465 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.113 25.673 7.967 1.00 0.00 O ATOM 0 H ASP A 75 -1.226 26.334 10.673 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.720 24.286 9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.534 26.730 9.626 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.345 27.200 8.427 1.00 0.00 H new ATOM 1276 N LYS A 76 0.209 25.451 8.487 1.00 0.00 N ATOM 1277 CA LYS A 76 1.363 25.331 7.603 1.00 0.00 C ATOM 1278 C LYS A 76 2.238 24.149 8.009 1.00 0.00 C ATOM 1279 O LYS A 76 2.404 23.867 9.195 1.00 0.00 O ATOM 1280 CB LYS A 76 2.187 26.621 7.628 1.00 0.00 C ATOM 1281 CG LYS A 76 1.688 27.680 6.660 1.00 0.00 C ATOM 1282 CD LYS A 76 0.786 28.687 7.353 1.00 0.00 C ATOM 1283 CE LYS A 76 0.791 30.027 6.633 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.091 30.016 5.433 1.00 0.00 N ATOM 0 H LYS A 76 0.406 25.905 9.379 1.00 0.00 H new ATOM 0 HA LYS A 76 0.998 25.160 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.176 27.030 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.224 26.384 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.538 28.197 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.144 27.202 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.232 28.298 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.116 28.825 8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.462 30.808 7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.809 30.274 6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.404 30.462 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.330 29.034 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.963 30.544 5.638 1.00 0.00 H new ATOM 1298 N GLU A 77 2.795 23.463 7.016 1.00 0.00 N ATOM 1299 CA GLU A 77 3.653 22.312 7.271 1.00 0.00 C ATOM 1300 C GLU A 77 4.781 22.676 8.231 1.00 0.00 C ATOM 1301 O GLU A 77 5.286 23.799 8.216 1.00 0.00 O ATOM 1302 CB GLU A 77 4.236 21.782 5.959 1.00 0.00 C ATOM 1303 CG GLU A 77 3.194 21.551 4.878 1.00 0.00 C ATOM 1304 CD GLU A 77 3.656 20.565 3.823 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.755 20.764 3.265 1.00 0.00 O ATOM 1306 OE2 GLU A 77 2.917 19.594 3.556 1.00 0.00 O ATOM 0 H GLU A 77 2.668 23.684 6.028 1.00 0.00 H new ATOM 0 HA GLU A 77 3.045 21.533 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.979 22.489 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.757 20.845 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.276 21.183 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.954 22.501 4.401 1.00 0.00 H new ATOM 1313 N VAL A 78 5.171 21.720 9.068 1.00 0.00 N ATOM 1314 CA VAL A 78 6.239 21.939 10.036 1.00 0.00 C ATOM 1315 C VAL A 78 7.558 21.355 9.540 1.00 0.00 C ATOM 1316 O VAL A 78 7.591 20.266 8.967 1.00 0.00 O ATOM 1317 CB VAL A 78 5.895 21.316 11.402 1.00 0.00 C ATOM 1318 CG1 VAL A 78 7.055 21.482 12.372 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.625 21.935 11.965 1.00 0.00 C ATOM 0 H VAL A 78 4.763 20.786 9.095 1.00 0.00 H new ATOM 0 HA VAL A 78 6.344 23.018 10.154 1.00 0.00 H new ATOM 0 HB VAL A 78 5.720 20.249 11.262 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.794 21.036 13.332 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.939 20.987 11.970 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.265 22.543 12.510 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.397 21.483 12.930 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.768 23.008 12.092 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.798 21.758 11.277 1.00 0.00 H new ATOM 1329 N LEU A 79 8.644 22.086 9.766 1.00 0.00 N ATOM 1330 CA LEU A 79 9.967 21.641 9.343 1.00 0.00 C ATOM 1331 C LEU A 79 10.754 21.077 10.522 1.00 0.00 C ATOM 1332 O LEU A 79 10.855 21.709 11.574 1.00 0.00 O ATOM 1333 CB LEU A 79 10.738 22.800 8.708 1.00 0.00 C ATOM 1334 CG LEU A 79 10.260 23.246 7.326 1.00 0.00 C ATOM 1335 CD1 LEU A 79 11.136 24.371 6.796 1.00 0.00 C ATOM 1336 CD2 LEU A 79 10.254 22.072 6.359 1.00 0.00 C ATOM 0 H LEU A 79 8.634 22.989 10.240 1.00 0.00 H new ATOM 0 HA LEU A 79 9.838 20.850 8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.688 23.656 9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.787 22.514 8.633 1.00 0.00 H new ATOM 0 HG LEU A 79 9.240 23.620 7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.781 24.676 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.089 25.220 7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 79 12.166 24.024 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.911 22.408 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.263 21.668 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.584 21.297 6.732 1.00 0.00 H new ATOM 1348 N TYR A 80 11.312 19.885 10.338 1.00 0.00 N ATOM 1349 CA TYR A 80 12.090 19.236 11.386 1.00 0.00 C ATOM 1350 C TYR A 80 13.477 18.855 10.878 1.00 0.00 C ATOM 1351 O TYR A 80 13.705 18.697 9.678 1.00 0.00 O ATOM 1352 CB TYR A 80 11.361 17.991 11.894 1.00 0.00 C ATOM 1353 CG TYR A 80 10.151 18.302 12.744 1.00 0.00 C ATOM 1354 CD1 TYR A 80 10.292 18.753 14.051 1.00 0.00 C ATOM 1355 CD2 TYR A 80 8.865 18.146 12.241 1.00 0.00 C ATOM 1356 CE1 TYR A 80 9.189 19.038 14.831 1.00 0.00 C ATOM 1357 CE2 TYR A 80 7.756 18.430 13.014 1.00 0.00 C ATOM 1358 CZ TYR A 80 7.923 18.875 14.308 1.00 0.00 C ATOM 1359 OH TYR A 80 6.821 19.159 15.082 1.00 0.00 O ATOM 0 H TYR A 80 11.240 19.349 9.473 1.00 0.00 H new ATOM 0 HA TYR A 80 12.205 19.942 12.208 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.050 17.389 11.040 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.056 17.385 12.475 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.282 18.883 14.464 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.730 17.797 11.228 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.317 19.387 15.845 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.764 18.304 12.607 1.00 0.00 H new ATOM 0 HH TYR A 80 7.032 18.993 16.025 1.00 0.00 H new ATOM 1369 N PRO A 81 14.428 18.705 11.812 1.00 0.00 N ATOM 1370 CA PRO A 81 15.809 18.340 11.484 1.00 0.00 C ATOM 1371 C PRO A 81 15.928 16.902 10.992 1.00 0.00 C ATOM 1372 O PRO A 81 14.986 16.117 11.103 1.00 0.00 O ATOM 1373 CB PRO A 81 16.546 18.512 12.815 1.00 0.00 C ATOM 1374 CG PRO A 81 15.496 18.335 13.856 1.00 0.00 C ATOM 1375 CD PRO A 81 14.227 18.879 13.260 1.00 0.00 C ATOM 0 HA PRO A 81 16.211 18.951 10.675 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.341 17.774 12.925 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.011 19.495 12.885 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.383 17.284 14.122 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.758 18.869 14.770 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.352 18.334 13.613 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.077 19.926 13.522 1.00 0.00 H new