USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 458 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 37 SER OG : rot 80:sc= 0.00936 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 138:sc= -4.54! (180deg=-5.22!) USER MOD Set 2.1: A 24 GLN : amide:sc= -7.45! K(o=-9.1!,f=-4.2) USER MOD Set 2.2: A 28 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 14 LYS NZ :NH3+ -161:sc= -0.0558 (180deg=-0.471) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 69:sc= -4.68! USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0218 (180deg=-0.229) USER MOD Single : A 33 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.4) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= -0.0909 (180deg=-0.657) USER MOD Single : A 42 GLN : amide:sc= -4.38 K(o=-4.4,f=-7.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -5.4! C(o=-5.4!,f=-7.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 15:sc= 1.14 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.719 USER MOD Single : A 59 HIS : no HD1:sc= -1.27 K(o=-1.3,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.06 K(o=-4.1,f=-9.6!) USER MOD Single : A 66 ASN : amide:sc= -2.18 K(o=-2.2,f=0.076) USER MOD Single : A 70 ASN : amide:sc= -4.1! C(o=-4.1!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 200 N GLY A 13 10.062 9.852 -4.441 1.00 0.00 N ATOM 201 CA GLY A 13 10.556 8.494 -4.626 1.00 0.00 C ATOM 202 C GLY A 13 9.932 7.556 -3.630 1.00 0.00 C ATOM 203 O GLY A 13 8.749 7.270 -3.694 1.00 0.00 O ATOM 0 HA2 GLY A 13 10.334 8.157 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.640 8.479 -4.516 1.00 0.00 H new ATOM 207 N LYS A 14 10.742 7.079 -2.701 1.00 0.00 N ATOM 208 CA LYS A 14 10.249 6.168 -1.695 1.00 0.00 C ATOM 209 C LYS A 14 9.071 6.793 -0.968 1.00 0.00 C ATOM 210 O LYS A 14 8.150 6.096 -0.559 1.00 0.00 O ATOM 211 CB LYS A 14 11.368 5.845 -0.701 1.00 0.00 C ATOM 212 CG LYS A 14 11.756 7.114 0.063 1.00 0.00 C ATOM 213 CD LYS A 14 12.921 6.809 1.006 1.00 0.00 C ATOM 214 CE LYS A 14 13.250 8.054 1.829 1.00 0.00 C ATOM 215 NZ LYS A 14 13.679 9.153 0.918 1.00 0.00 N ATOM 0 H LYS A 14 11.733 7.307 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 14 9.920 5.246 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.038 5.075 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.234 5.447 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.038 7.900 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.902 7.484 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.661 5.982 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.794 6.497 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.377 8.364 2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.041 7.831 2.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.199 9.871 1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.296 8.767 0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.842 9.589 0.481 1.00 0.00 H new ATOM 229 N ALA A 15 9.087 8.116 -0.828 1.00 0.00 N ATOM 230 CA ALA A 15 7.986 8.795 -0.164 1.00 0.00 C ATOM 231 C ALA A 15 6.706 8.631 -0.983 1.00 0.00 C ATOM 232 O ALA A 15 5.705 8.151 -0.492 1.00 0.00 O ATOM 233 CB ALA A 15 8.330 10.279 -0.037 1.00 0.00 C ATOM 0 H ALA A 15 9.835 8.726 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 15 7.829 8.364 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.512 10.801 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.242 10.392 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.482 10.704 -1.029 1.00 0.00 H new ATOM 239 N ALA A 16 6.775 9.037 -2.238 1.00 0.00 N ATOM 240 CA ALA A 16 5.637 8.948 -3.149 1.00 0.00 C ATOM 241 C ALA A 16 5.214 7.507 -3.327 1.00 0.00 C ATOM 242 O ALA A 16 4.026 7.198 -3.384 1.00 0.00 O ATOM 243 CB ALA A 16 6.004 9.547 -4.507 1.00 0.00 C ATOM 0 H ALA A 16 7.615 9.436 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 16 4.807 9.509 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.149 9.476 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.280 10.594 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.845 8.999 -4.931 1.00 0.00 H new ATOM 249 N VAL A 17 6.196 6.628 -3.398 1.00 0.00 N ATOM 250 CA VAL A 17 5.890 5.224 -3.552 1.00 0.00 C ATOM 251 C VAL A 17 5.050 4.814 -2.360 1.00 0.00 C ATOM 252 O VAL A 17 3.981 4.236 -2.496 1.00 0.00 O ATOM 253 CB VAL A 17 7.172 4.414 -3.580 1.00 0.00 C ATOM 254 CG1 VAL A 17 6.818 2.945 -3.492 1.00 0.00 C ATOM 255 CG2 VAL A 17 7.932 4.677 -4.883 1.00 0.00 C ATOM 0 H VAL A 17 7.189 6.856 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 17 5.354 5.046 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 17 7.804 4.701 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.730 2.349 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.280 2.755 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.188 2.671 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.851 4.091 -4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.310 4.391 -5.731 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.177 5.737 -4.954 1.00 0.00 H new ATOM 265 N VAL A 18 5.554 5.116 -1.188 1.00 0.00 N ATOM 266 CA VAL A 18 4.850 4.778 0.024 1.00 0.00 C ATOM 267 C VAL A 18 3.472 5.387 -0.014 1.00 0.00 C ATOM 268 O VAL A 18 2.492 4.758 0.372 1.00 0.00 O ATOM 269 CB VAL A 18 5.606 5.331 1.236 1.00 0.00 C ATOM 270 CG1 VAL A 18 4.720 5.236 2.502 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.911 4.529 1.439 1.00 0.00 C ATOM 0 H VAL A 18 6.445 5.593 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 18 4.777 3.693 0.105 1.00 0.00 H new ATOM 0 HB VAL A 18 5.852 6.378 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.266 5.631 3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.809 5.816 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.460 4.194 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.449 4.922 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.670 3.480 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.535 4.619 0.550 1.00 0.00 H new ATOM 281 N LYS A 19 3.404 6.626 -0.450 1.00 0.00 N ATOM 282 CA LYS A 19 2.148 7.335 -0.504 1.00 0.00 C ATOM 283 C LYS A 19 1.159 6.636 -1.411 1.00 0.00 C ATOM 284 O LYS A 19 -0.007 6.563 -1.077 1.00 0.00 O ATOM 285 CB LYS A 19 2.370 8.780 -0.977 1.00 0.00 C ATOM 286 CG LYS A 19 2.837 9.706 0.184 1.00 0.00 C ATOM 287 CD LYS A 19 3.491 8.917 1.335 1.00 0.00 C ATOM 288 CE LYS A 19 4.338 9.865 2.184 1.00 0.00 C ATOM 289 NZ LYS A 19 4.813 9.151 3.402 1.00 0.00 N ATOM 0 H LYS A 19 4.208 7.164 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 19 1.730 7.350 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.115 8.791 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.445 9.169 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.547 10.438 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.982 10.263 0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.724 8.447 1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.113 8.116 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.189 10.226 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.751 10.739 2.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.389 9.796 3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.995 8.827 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.387 8.331 3.122 1.00 0.00 H new ATOM 303 N VAL A 20 1.599 6.104 -2.551 1.00 0.00 N ATOM 304 CA VAL A 20 0.648 5.414 -3.411 1.00 0.00 C ATOM 305 C VAL A 20 0.268 4.083 -2.801 1.00 0.00 C ATOM 306 O VAL A 20 -0.864 3.628 -2.950 1.00 0.00 O ATOM 307 CB VAL A 20 1.168 5.227 -4.839 1.00 0.00 C ATOM 308 CG1 VAL A 20 1.213 6.584 -5.526 1.00 0.00 C ATOM 309 CG2 VAL A 20 2.563 4.613 -4.825 1.00 0.00 C ATOM 0 H VAL A 20 2.562 6.135 -2.887 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.238 6.045 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 20 0.502 4.554 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.582 6.464 -6.545 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.211 7.012 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.878 7.249 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.916 4.488 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.244 5.270 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.528 3.642 -4.332 1.00 0.00 H new ATOM 319 N VAL A 21 1.205 3.466 -2.091 1.00 0.00 N ATOM 320 CA VAL A 21 0.911 2.201 -1.450 1.00 0.00 C ATOM 321 C VAL A 21 -0.177 2.422 -0.388 1.00 0.00 C ATOM 322 O VAL A 21 -1.200 1.736 -0.379 1.00 0.00 O ATOM 323 CB VAL A 21 2.195 1.658 -0.814 1.00 0.00 C ATOM 324 CG1 VAL A 21 1.882 0.426 0.027 1.00 0.00 C ATOM 325 CG2 VAL A 21 3.185 1.280 -1.920 1.00 0.00 C ATOM 0 H VAL A 21 2.153 3.815 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 21 0.547 1.475 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 21 2.630 2.425 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.801 0.048 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.178 0.693 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.443 -0.345 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.100 0.893 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.742 0.516 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.418 2.162 -2.517 1.00 0.00 H new ATOM 335 N GLU A 22 0.048 3.413 0.486 1.00 0.00 N ATOM 336 CA GLU A 22 -0.942 3.733 1.524 1.00 0.00 C ATOM 337 C GLU A 22 -2.211 4.214 0.873 1.00 0.00 C ATOM 338 O GLU A 22 -3.307 3.833 1.263 1.00 0.00 O ATOM 339 CB GLU A 22 -0.417 4.851 2.434 1.00 0.00 C ATOM 340 CG GLU A 22 0.730 4.347 3.311 1.00 0.00 C ATOM 341 CD GLU A 22 1.356 5.532 4.044 1.00 0.00 C ATOM 342 OE1 GLU A 22 1.100 6.654 3.636 1.00 0.00 O ATOM 343 OE2 GLU A 22 2.074 5.305 5.001 1.00 0.00 O ATOM 0 H GLU A 22 0.886 3.995 0.497 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.129 2.835 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.075 5.689 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.225 5.223 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.361 3.614 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.479 3.845 2.699 1.00 0.00 H new ATOM 350 N SER A 23 -2.051 5.128 -0.054 1.00 0.00 N ATOM 351 CA SER A 23 -3.177 5.760 -0.699 1.00 0.00 C ATOM 352 C SER A 23 -4.108 4.814 -1.456 1.00 0.00 C ATOM 353 O SER A 23 -5.333 4.956 -1.340 1.00 0.00 O ATOM 354 CB SER A 23 -2.693 6.843 -1.662 1.00 0.00 C ATOM 355 OG SER A 23 -3.815 7.449 -2.288 1.00 0.00 O ATOM 0 H SER A 23 -1.141 5.453 -0.381 1.00 0.00 H new ATOM 0 HA SER A 23 -3.764 6.179 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.114 7.593 -1.123 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.033 6.409 -2.413 1.00 0.00 H new ATOM 0 HG SER A 23 -3.508 8.146 -2.906 1.00 0.00 H new ATOM 361 N GLN A 24 -3.597 3.843 -2.225 1.00 0.00 N ATOM 362 CA GLN A 24 -4.519 2.971 -2.929 1.00 0.00 C ATOM 363 C GLN A 24 -5.144 1.997 -1.958 1.00 0.00 C ATOM 364 O GLN A 24 -6.309 1.641 -2.075 1.00 0.00 O ATOM 365 CB GLN A 24 -3.815 2.192 -4.077 1.00 0.00 C ATOM 366 CG GLN A 24 -2.914 1.063 -3.529 1.00 0.00 C ATOM 367 CD GLN A 24 -2.403 0.189 -4.682 1.00 0.00 C ATOM 368 OE1 GLN A 24 -2.178 0.681 -5.788 1.00 0.00 O ATOM 369 NE2 GLN A 24 -2.217 -1.098 -4.479 1.00 0.00 N ATOM 0 H GLN A 24 -2.605 3.654 -2.366 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.292 3.596 -3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.566 1.768 -4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.215 2.881 -4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.071 1.491 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.473 0.453 -2.820 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.404 -1.502 -3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.885 -1.692 -5.239 1.00 0.00 H new ATOM 378 N ALA A 25 -4.349 1.587 -0.993 1.00 0.00 N ATOM 379 CA ALA A 25 -4.794 0.655 0.018 1.00 0.00 C ATOM 380 C ALA A 25 -5.853 1.258 0.901 1.00 0.00 C ATOM 381 O ALA A 25 -6.829 0.601 1.241 1.00 0.00 O ATOM 382 CB ALA A 25 -3.610 0.199 0.821 1.00 0.00 C ATOM 0 H ALA A 25 -3.380 1.889 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.250 -0.206 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.938 -0.505 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.891 -0.289 0.164 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.140 1.060 1.297 1.00 0.00 H new ATOM 388 N GLU A 26 -5.686 2.515 1.238 1.00 0.00 N ATOM 389 CA GLU A 26 -6.672 3.173 2.050 1.00 0.00 C ATOM 390 C GLU A 26 -8.000 3.002 1.392 1.00 0.00 C ATOM 391 O GLU A 26 -8.976 2.634 2.037 1.00 0.00 O ATOM 392 CB GLU A 26 -6.340 4.649 2.212 1.00 0.00 C ATOM 393 CG GLU A 26 -7.651 5.459 2.302 1.00 0.00 C ATOM 394 CD GLU A 26 -7.336 6.939 2.486 1.00 0.00 C ATOM 395 OE1 GLU A 26 -6.874 7.297 3.558 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.564 7.694 1.555 1.00 0.00 O ATOM 0 H GLU A 26 -4.890 3.091 0.966 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.688 2.733 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.742 4.803 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.743 4.994 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.241 5.314 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.254 5.100 3.136 1.00 0.00 H new ATOM 403 N LEU A 27 -8.064 3.230 0.095 1.00 0.00 N ATOM 404 CA LEU A 27 -9.320 3.012 -0.545 1.00 0.00 C ATOM 405 C LEU A 27 -9.569 1.594 -0.700 1.00 0.00 C ATOM 406 O LEU A 27 -10.691 1.228 -0.844 1.00 0.00 O ATOM 407 CB LEU A 27 -9.490 3.605 -1.893 1.00 0.00 C ATOM 408 CG LEU A 27 -9.462 5.134 -1.826 1.00 0.00 C ATOM 409 CD1 LEU A 27 -9.536 5.707 -3.242 1.00 0.00 C ATOM 410 CD2 LEU A 27 -10.645 5.643 -1.001 1.00 0.00 C ATOM 0 H LEU A 27 -7.299 3.549 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.019 3.514 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.697 3.252 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.435 3.273 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.535 5.456 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.516 6.796 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.684 5.353 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.461 5.381 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.617 6.732 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.577 5.322 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.585 5.239 0.009 1.00 0.00 H new ATOM 422 N TYR A 28 -8.561 0.755 -0.691 1.00 0.00 N ATOM 423 CA TYR A 28 -8.901 -0.601 -0.831 1.00 0.00 C ATOM 424 C TYR A 28 -9.822 -0.872 0.333 1.00 0.00 C ATOM 425 O TYR A 28 -10.919 -1.277 0.148 1.00 0.00 O ATOM 426 CB TYR A 28 -7.705 -1.524 -0.849 1.00 0.00 C ATOM 427 CG TYR A 28 -6.909 -1.347 -2.150 1.00 0.00 C ATOM 428 CD1 TYR A 28 -5.652 -1.945 -2.277 1.00 0.00 C ATOM 429 CD2 TYR A 28 -7.429 -0.595 -3.228 1.00 0.00 C ATOM 430 CE1 TYR A 28 -4.916 -1.796 -3.458 1.00 0.00 C ATOM 431 CE2 TYR A 28 -6.687 -0.449 -4.404 1.00 0.00 C ATOM 432 CZ TYR A 28 -5.432 -1.048 -4.519 1.00 0.00 C ATOM 433 OH TYR A 28 -4.704 -0.905 -5.683 1.00 0.00 O ATOM 0 H TYR A 28 -7.571 0.982 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.375 -0.797 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.064 -1.315 0.008 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.035 -2.559 -0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.247 -2.524 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.401 -0.132 -3.143 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.946 -2.261 -3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.086 0.128 -5.225 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.208 -0.356 -6.319 1.00 0.00 H new ATOM 443 N SER A 29 -9.398 -0.445 1.507 1.00 0.00 N ATOM 444 CA SER A 29 -10.210 -0.477 2.710 1.00 0.00 C ATOM 445 C SER A 29 -11.629 -0.017 2.396 1.00 0.00 C ATOM 446 O SER A 29 -12.605 -0.641 2.814 1.00 0.00 O ATOM 447 CB SER A 29 -9.578 0.462 3.710 1.00 0.00 C ATOM 448 OG SER A 29 -8.254 0.718 3.295 1.00 0.00 O ATOM 0 H SER A 29 -8.465 -0.060 1.655 1.00 0.00 H new ATOM 0 HA SER A 29 -10.260 -1.490 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.144 1.391 3.770 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.586 0.019 4.706 1.00 0.00 H new ATOM 0 HG SER A 29 -8.266 1.256 2.476 1.00 0.00 H new ATOM 454 N LEU A 30 -11.728 1.054 1.609 1.00 0.00 N ATOM 455 CA LEU A 30 -13.026 1.562 1.192 1.00 0.00 C ATOM 456 C LEU A 30 -13.730 0.512 0.305 1.00 0.00 C ATOM 457 O LEU A 30 -14.885 0.152 0.526 1.00 0.00 O ATOM 458 CB LEU A 30 -12.839 2.907 0.467 1.00 0.00 C ATOM 459 CG LEU A 30 -14.138 3.306 -0.235 1.00 0.00 C ATOM 460 CD1 LEU A 30 -14.337 4.821 -0.114 1.00 0.00 C ATOM 461 CD2 LEU A 30 -14.060 2.921 -1.716 1.00 0.00 C ATOM 0 H LEU A 30 -10.930 1.580 1.252 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.663 1.739 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -12.550 3.678 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.032 2.828 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.976 2.788 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.262 5.107 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.392 5.098 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.498 5.337 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.986 3.206 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.222 3.439 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.916 1.844 -1.805 1.00 0.00 H new ATOM 473 N GLU A 31 -12.989 0.045 -0.686 1.00 0.00 N ATOM 474 CA GLU A 31 -13.462 -0.951 -1.627 1.00 0.00 C ATOM 475 C GLU A 31 -13.391 -2.366 -0.987 1.00 0.00 C ATOM 476 O GLU A 31 -14.381 -2.855 -0.461 1.00 0.00 O ATOM 477 CB GLU A 31 -12.599 -0.884 -2.902 1.00 0.00 C ATOM 478 CG GLU A 31 -12.942 -2.045 -3.844 1.00 0.00 C ATOM 479 CD GLU A 31 -14.407 -1.968 -4.257 1.00 0.00 C ATOM 480 OE1 GLU A 31 -14.986 -0.903 -4.123 1.00 0.00 O ATOM 481 OE2 GLU A 31 -14.930 -2.978 -4.701 1.00 0.00 O ATOM 0 H GLU A 31 -12.032 0.352 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 31 -14.501 -0.751 -1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.764 0.066 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.543 -0.924 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.304 -2.008 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.745 -2.996 -3.349 1.00 0.00 H new ATOM 488 N LYS A 32 -12.194 -2.982 -1.063 1.00 0.00 N ATOM 489 CA LYS A 32 -11.868 -4.326 -0.529 1.00 0.00 C ATOM 490 C LYS A 32 -12.992 -5.067 0.186 1.00 0.00 C ATOM 491 O LYS A 32 -13.344 -6.178 -0.207 1.00 0.00 O ATOM 492 CB LYS A 32 -10.609 -4.247 0.417 1.00 0.00 C ATOM 493 CG LYS A 32 -10.815 -3.397 1.715 1.00 0.00 C ATOM 494 CD LYS A 32 -11.148 -4.288 2.964 1.00 0.00 C ATOM 495 CE LYS A 32 -10.763 -3.564 4.283 1.00 0.00 C ATOM 496 NZ LYS A 32 -10.886 -4.519 5.421 1.00 0.00 N ATOM 0 H LYS A 32 -11.393 -2.541 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.668 -4.919 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.324 -5.259 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.775 -3.828 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.913 -2.818 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.623 -2.683 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.212 -4.525 2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.611 -5.234 2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.743 -3.185 4.219 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.413 -2.704 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.915 -3.990 6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.761 -5.072 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.068 -5.162 5.425 1.00 0.00 H new ATOM 510 N ASN A 33 -13.476 -4.509 1.264 1.00 0.00 N ATOM 511 CA ASN A 33 -14.484 -5.173 2.083 1.00 0.00 C ATOM 512 C ASN A 33 -13.893 -6.449 2.758 1.00 0.00 C ATOM 513 O ASN A 33 -14.581 -7.073 3.561 1.00 0.00 O ATOM 514 CB ASN A 33 -15.725 -5.557 1.255 1.00 0.00 C ATOM 515 CG ASN A 33 -16.361 -4.311 0.650 1.00 0.00 C ATOM 516 OD1 ASN A 33 -16.478 -3.285 1.319 1.00 0.00 O ATOM 517 ND2 ASN A 33 -16.782 -4.341 -0.586 1.00 0.00 N ATOM 0 H ASN A 33 -13.193 -3.591 1.606 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.790 -4.465 2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.442 -6.251 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.448 -6.072 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.209 -3.512 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.683 -5.193 -1.138 1.00 0.00 H new ATOM 524 N GLU A 34 -12.602 -6.821 2.437 1.00 0.00 N ATOM 525 CA GLU A 34 -11.953 -8.010 3.028 1.00 0.00 C ATOM 526 C GLU A 34 -10.649 -8.350 2.278 1.00 0.00 C ATOM 527 O GLU A 34 -10.676 -9.076 1.285 1.00 0.00 O ATOM 528 CB GLU A 34 -12.881 -9.237 2.964 1.00 0.00 C ATOM 529 CG GLU A 34 -12.171 -10.448 3.577 1.00 0.00 C ATOM 530 CD GLU A 34 -13.103 -11.655 3.571 1.00 0.00 C ATOM 531 OE1 GLU A 34 -14.224 -11.511 3.112 1.00 0.00 O ATOM 532 OE2 GLU A 34 -12.681 -12.706 4.026 1.00 0.00 O ATOM 0 H GLU A 34 -12.014 -6.309 1.779 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.733 -7.771 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.807 -9.034 3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -13.153 -9.447 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.266 -10.674 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.862 -10.221 4.597 1.00 0.00 H new ATOM 539 N ASP A 35 -9.515 -7.841 2.778 1.00 0.00 N ATOM 540 CA ASP A 35 -8.195 -8.122 2.154 1.00 0.00 C ATOM 541 C ASP A 35 -7.054 -7.276 2.771 1.00 0.00 C ATOM 542 O ASP A 35 -5.906 -7.339 2.331 1.00 0.00 O ATOM 543 CB ASP A 35 -8.248 -7.840 0.653 1.00 0.00 C ATOM 544 CG ASP A 35 -8.039 -9.128 -0.142 1.00 0.00 C ATOM 545 OD1 ASP A 35 -8.446 -10.175 0.337 1.00 0.00 O ATOM 546 OD2 ASP A 35 -7.472 -9.049 -1.219 1.00 0.00 O ATOM 0 H ASP A 35 -9.474 -7.240 3.601 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.983 -9.174 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.210 -7.398 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.481 -7.113 0.386 1.00 0.00 H new ATOM 551 N ALA A 36 -7.409 -6.552 3.805 1.00 0.00 N ATOM 552 CA ALA A 36 -6.477 -5.733 4.565 1.00 0.00 C ATOM 553 C ALA A 36 -5.153 -6.349 4.670 1.00 0.00 C ATOM 554 O ALA A 36 -4.951 -7.288 5.435 1.00 0.00 O ATOM 555 CB ALA A 36 -7.071 -5.322 5.871 1.00 0.00 C ATOM 0 H ALA A 36 -8.367 -6.510 4.153 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.302 -4.810 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.355 -4.711 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.979 -4.745 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.314 -6.209 6.455 1.00 0.00 H new ATOM 561 N SER A 37 -4.239 -5.771 3.901 1.00 0.00 N ATOM 562 CA SER A 37 -2.881 -6.205 3.872 1.00 0.00 C ATOM 563 C SER A 37 -2.242 -5.869 2.554 1.00 0.00 C ATOM 564 O SER A 37 -2.782 -6.188 1.495 1.00 0.00 O ATOM 565 CB SER A 37 -2.773 -7.723 4.053 1.00 0.00 C ATOM 566 OG SER A 37 -2.450 -8.015 5.408 1.00 0.00 O ATOM 0 H SER A 37 -4.438 -4.985 3.283 1.00 0.00 H new ATOM 0 HA SER A 37 -2.375 -5.693 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.714 -8.201 3.781 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.007 -8.126 3.390 1.00 0.00 H new ATOM 0 HG SER A 37 -3.260 -7.958 5.957 1.00 0.00 H new ATOM 572 N LEU A 38 -1.040 -5.337 2.619 1.00 0.00 N ATOM 573 CA LEU A 38 -0.310 -5.116 1.423 1.00 0.00 C ATOM 574 C LEU A 38 -0.181 -6.456 0.808 1.00 0.00 C ATOM 575 O LEU A 38 -0.373 -6.647 -0.357 1.00 0.00 O ATOM 576 CB LEU A 38 1.089 -4.635 1.750 1.00 0.00 C ATOM 577 CG LEU A 38 1.033 -3.230 2.288 1.00 0.00 C ATOM 578 CD1 LEU A 38 2.395 -2.870 2.939 1.00 0.00 C ATOM 579 CD2 LEU A 38 0.739 -2.278 1.105 1.00 0.00 C ATOM 0 H LEU A 38 -0.567 -5.059 3.479 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.801 -4.380 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.549 -5.297 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.713 -4.667 0.857 1.00 0.00 H new ATOM 0 HG LEU A 38 0.253 -3.138 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.355 -1.853 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.603 -3.563 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.185 -2.941 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.693 -1.251 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.532 -2.365 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.215 -2.546 0.651 1.00 0.00 H new ATOM 591 N ARG A 39 0.132 -7.376 1.675 1.00 0.00 N ATOM 592 CA ARG A 39 0.313 -8.746 1.326 1.00 0.00 C ATOM 593 C ARG A 39 -0.674 -9.164 0.285 1.00 0.00 C ATOM 594 O ARG A 39 -0.317 -9.875 -0.638 1.00 0.00 O ATOM 595 CB ARG A 39 0.187 -9.623 2.583 1.00 0.00 C ATOM 596 CG ARG A 39 0.623 -8.799 3.815 1.00 0.00 C ATOM 597 CD ARG A 39 1.044 -9.712 4.957 1.00 0.00 C ATOM 598 NE ARG A 39 -0.132 -10.191 5.692 1.00 0.00 N ATOM 599 CZ ARG A 39 -0.623 -11.430 5.537 1.00 0.00 C ATOM 600 NH1 ARG A 39 -0.087 -12.273 4.688 1.00 0.00 N ATOM 601 NH2 ARG A 39 -1.654 -11.803 6.245 1.00 0.00 N ATOM 0 H ARG A 39 0.271 -7.184 2.667 1.00 0.00 H new ATOM 0 HA ARG A 39 1.311 -8.874 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.841 -9.964 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.809 -10.513 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.450 -8.143 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.198 -8.159 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.605 -10.560 4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.709 -9.175 5.633 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.594 -9.558 6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.719 -11.992 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.476 -13.210 4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.079 -11.155 6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.035 -12.743 6.135 1.00 0.00 H new ATOM 615 N LYS A 40 -1.924 -8.787 0.466 1.00 0.00 N ATOM 616 CA LYS A 40 -2.962 -9.212 -0.447 1.00 0.00 C ATOM 617 C LYS A 40 -3.144 -8.308 -1.666 1.00 0.00 C ATOM 618 O LYS A 40 -3.160 -8.800 -2.787 1.00 0.00 O ATOM 619 CB LYS A 40 -4.220 -9.297 0.308 1.00 0.00 C ATOM 620 CG LYS A 40 -4.350 -10.699 0.927 1.00 0.00 C ATOM 621 CD LYS A 40 -3.056 -11.056 1.684 1.00 0.00 C ATOM 622 CE LYS A 40 -3.223 -12.407 2.384 1.00 0.00 C ATOM 623 NZ LYS A 40 -4.313 -12.310 3.394 1.00 0.00 N ATOM 0 H LYS A 40 -2.242 -8.192 1.231 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.662 -10.178 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.239 -8.539 1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.066 -9.098 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.201 -10.729 1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.541 -11.435 0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.217 -11.097 0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.827 -10.282 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.457 -13.181 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.290 -12.697 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.183 -13.047 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.286 -11.374 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.232 -12.442 2.926 1.00 0.00 H new ATOM 637 N LEU A 41 -3.283 -7.001 -1.485 1.00 0.00 N ATOM 638 CA LEU A 41 -3.434 -6.157 -2.652 1.00 0.00 C ATOM 639 C LEU A 41 -2.251 -6.469 -3.554 1.00 0.00 C ATOM 640 O LEU A 41 -2.393 -6.728 -4.749 1.00 0.00 O ATOM 641 CB LEU A 41 -3.488 -4.667 -2.268 1.00 0.00 C ATOM 642 CG LEU A 41 -2.349 -4.303 -1.316 1.00 0.00 C ATOM 643 CD1 LEU A 41 -1.239 -3.597 -2.098 1.00 0.00 C ATOM 644 CD2 LEU A 41 -2.870 -3.371 -0.215 1.00 0.00 C ATOM 0 H LEU A 41 -3.294 -6.523 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.375 -6.356 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.425 -4.054 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.445 -4.444 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.956 -5.212 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.426 -3.337 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.864 -4.261 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.636 -2.690 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.054 -3.115 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.267 -2.462 -0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.660 -3.874 0.344 1.00 0.00 H new ATOM 656 N GLN A 42 -1.088 -6.483 -2.935 1.00 0.00 N ATOM 657 CA GLN A 42 0.150 -6.792 -3.574 1.00 0.00 C ATOM 658 C GLN A 42 0.191 -8.277 -3.918 1.00 0.00 C ATOM 659 O GLN A 42 0.901 -8.688 -4.815 1.00 0.00 O ATOM 660 CB GLN A 42 1.228 -6.415 -2.607 1.00 0.00 C ATOM 661 CG GLN A 42 2.543 -6.982 -2.982 1.00 0.00 C ATOM 662 CD GLN A 42 2.977 -7.888 -1.854 1.00 0.00 C ATOM 663 OE1 GLN A 42 4.093 -7.783 -1.353 1.00 0.00 O ATOM 664 NE2 GLN A 42 2.121 -8.767 -1.401 1.00 0.00 N ATOM 0 H GLN A 42 -0.988 -6.271 -1.942 1.00 0.00 H new ATOM 0 HA GLN A 42 0.280 -6.248 -4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.304 -5.329 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.956 -6.762 -1.610 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.470 -7.539 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.273 -6.188 -3.141 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.197 -8.845 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.378 -9.375 -0.623 1.00 0.00 H new ATOM 673 N ALA A 43 -0.570 -9.080 -3.184 1.00 0.00 N ATOM 674 CA ALA A 43 -0.594 -10.525 -3.474 1.00 0.00 C ATOM 675 C ALA A 43 -0.904 -10.683 -4.946 1.00 0.00 C ATOM 676 O ALA A 43 -0.381 -11.564 -5.627 1.00 0.00 O ATOM 677 CB ALA A 43 -1.685 -11.262 -2.757 1.00 0.00 C ATOM 0 H ALA A 43 -1.162 -8.779 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 43 0.369 -10.929 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.642 -12.319 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.555 -11.148 -1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.653 -10.855 -3.050 1.00 0.00 H new ATOM 683 N ASP A 44 -1.731 -9.750 -5.434 1.00 0.00 N ATOM 684 CA ASP A 44 -2.096 -9.697 -6.851 1.00 0.00 C ATOM 685 C ASP A 44 -1.140 -8.721 -7.524 1.00 0.00 C ATOM 686 O ASP A 44 -1.503 -7.957 -8.419 1.00 0.00 O ATOM 687 CB ASP A 44 -3.540 -9.218 -7.015 1.00 0.00 C ATOM 688 CG ASP A 44 -3.982 -9.378 -8.466 1.00 0.00 C ATOM 689 OD1 ASP A 44 -3.132 -9.657 -9.297 1.00 0.00 O ATOM 690 OD2 ASP A 44 -5.163 -9.219 -8.727 1.00 0.00 O ATOM 0 H ASP A 44 -2.160 -9.020 -4.865 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.024 -10.687 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.198 -9.790 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.621 -8.173 -6.715 1.00 0.00 H new ATOM 695 N GLY A 45 0.092 -8.807 -7.059 1.00 0.00 N ATOM 696 CA GLY A 45 1.200 -8.014 -7.523 1.00 0.00 C ATOM 697 C GLY A 45 0.814 -6.591 -7.926 1.00 0.00 C ATOM 698 O GLY A 45 1.500 -5.988 -8.750 1.00 0.00 O ATOM 0 H GLY A 45 0.352 -9.459 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.955 -7.967 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.659 -8.512 -8.377 1.00 0.00 H new ATOM 702 N ARG A 46 -0.207 -6.007 -7.287 1.00 0.00 N ATOM 703 CA ARG A 46 -0.550 -4.625 -7.536 1.00 0.00 C ATOM 704 C ARG A 46 0.674 -3.748 -7.479 1.00 0.00 C ATOM 705 O ARG A 46 1.062 -3.074 -8.433 1.00 0.00 O ATOM 706 CB ARG A 46 -1.510 -4.154 -6.476 1.00 0.00 C ATOM 707 CG ARG A 46 -2.934 -4.441 -6.895 1.00 0.00 C ATOM 708 CD ARG A 46 -3.820 -4.187 -5.698 1.00 0.00 C ATOM 709 NE ARG A 46 -5.139 -3.728 -6.136 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.241 -3.926 -5.401 1.00 0.00 C ATOM 711 NH1 ARG A 46 -6.177 -4.541 -4.246 1.00 0.00 N ATOM 712 NH2 ARG A 46 -7.392 -3.500 -5.841 1.00 0.00 N ATOM 0 H ARG A 46 -0.799 -6.476 -6.601 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.997 -4.559 -8.528 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.294 -4.653 -5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.381 -3.085 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.224 -3.802 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.033 -5.472 -7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.921 -5.099 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.363 -3.439 -5.050 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.222 -3.242 -7.029 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.280 -4.876 -3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.025 -4.685 -3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.449 -3.020 -6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.236 -3.647 -5.287 1.00 0.00 H new ATOM 726 N ILE A 47 1.219 -3.749 -6.263 1.00 0.00 N ATOM 727 CA ILE A 47 2.360 -2.946 -5.890 1.00 0.00 C ATOM 728 C ILE A 47 3.570 -3.793 -5.614 1.00 0.00 C ATOM 729 O ILE A 47 4.349 -3.444 -4.767 1.00 0.00 O ATOM 730 CB ILE A 47 1.988 -2.147 -4.644 1.00 0.00 C ATOM 731 CG1 ILE A 47 1.779 -3.062 -3.459 1.00 0.00 C ATOM 732 CG2 ILE A 47 0.686 -1.442 -4.902 1.00 0.00 C ATOM 733 CD1 ILE A 47 1.713 -2.213 -2.189 1.00 0.00 C ATOM 0 H ILE A 47 0.864 -4.325 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 47 2.614 -2.282 -6.716 1.00 0.00 H new ATOM 0 HB ILE A 47 2.795 -1.447 -4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.858 -3.633 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.594 -3.783 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.404 -0.865 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.798 -0.772 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.089 -2.177 -5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.562 -2.861 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.646 -1.662 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.883 -1.510 -2.264 1.00 0.00 H new ATOM 745 N THR A 48 3.709 -4.896 -6.341 1.00 0.00 N ATOM 746 CA THR A 48 4.834 -5.840 -6.169 1.00 0.00 C ATOM 747 C THR A 48 5.389 -5.890 -4.714 1.00 0.00 C ATOM 748 O THR A 48 4.968 -5.164 -3.832 1.00 0.00 O ATOM 749 CB THR A 48 5.938 -5.442 -7.161 1.00 0.00 C ATOM 750 OG1 THR A 48 6.738 -6.578 -7.455 1.00 0.00 O ATOM 751 CG2 THR A 48 6.833 -4.319 -6.598 1.00 0.00 C ATOM 0 H THR A 48 3.050 -5.171 -7.070 1.00 0.00 H new ATOM 0 HA THR A 48 4.469 -6.847 -6.369 1.00 0.00 H new ATOM 0 HB THR A 48 5.459 -5.069 -8.066 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.442 -6.327 -8.089 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.601 -4.065 -7.328 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.225 -3.439 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.306 -4.658 -5.677 1.00 0.00 H new ATOM 759 N GLU A 49 6.285 -6.809 -4.454 1.00 0.00 N ATOM 760 CA GLU A 49 6.795 -6.961 -3.093 1.00 0.00 C ATOM 761 C GLU A 49 7.887 -5.958 -2.757 1.00 0.00 C ATOM 762 O GLU A 49 8.238 -5.793 -1.598 1.00 0.00 O ATOM 763 CB GLU A 49 7.348 -8.377 -2.903 1.00 0.00 C ATOM 764 CG GLU A 49 6.208 -9.397 -2.930 1.00 0.00 C ATOM 765 CD GLU A 49 6.777 -10.811 -2.958 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.964 -10.948 -3.203 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.016 -11.739 -2.733 1.00 0.00 O ATOM 0 H GLU A 49 6.676 -7.454 -5.141 1.00 0.00 H new ATOM 0 HA GLU A 49 5.957 -6.777 -2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.067 -8.603 -3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.882 -8.443 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.573 -9.269 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.580 -9.231 -3.806 1.00 0.00 H new ATOM 774 N GLU A 50 8.448 -5.325 -3.751 1.00 0.00 N ATOM 775 CA GLU A 50 9.531 -4.388 -3.490 1.00 0.00 C ATOM 776 C GLU A 50 9.083 -3.204 -2.622 1.00 0.00 C ATOM 777 O GLU A 50 9.726 -2.877 -1.626 1.00 0.00 O ATOM 778 CB GLU A 50 10.075 -3.861 -4.821 1.00 0.00 C ATOM 779 CG GLU A 50 10.827 -4.976 -5.560 1.00 0.00 C ATOM 780 CD GLU A 50 12.002 -5.472 -4.722 1.00 0.00 C ATOM 781 OE1 GLU A 50 12.756 -4.642 -4.244 1.00 0.00 O ATOM 782 OE2 GLU A 50 12.132 -6.677 -4.575 1.00 0.00 O ATOM 0 H GLU A 50 8.188 -5.430 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 50 10.305 -4.924 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.255 -3.493 -5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.742 -3.018 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.149 -5.802 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.187 -4.606 -6.520 1.00 0.00 H new ATOM 789 N GLN A 51 7.988 -2.564 -3.009 1.00 0.00 N ATOM 790 CA GLN A 51 7.482 -1.416 -2.278 1.00 0.00 C ATOM 791 C GLN A 51 6.521 -1.818 -1.184 1.00 0.00 C ATOM 792 O GLN A 51 6.337 -1.084 -0.231 1.00 0.00 O ATOM 793 CB GLN A 51 6.777 -0.457 -3.228 1.00 0.00 C ATOM 794 CG GLN A 51 5.818 -1.247 -4.083 1.00 0.00 C ATOM 795 CD GLN A 51 4.864 -0.321 -4.801 1.00 0.00 C ATOM 796 OE1 GLN A 51 4.581 0.778 -4.325 1.00 0.00 O ATOM 797 NE2 GLN A 51 4.343 -0.704 -5.928 1.00 0.00 N ATOM 0 H GLN A 51 7.434 -2.822 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 51 8.341 -0.928 -1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.241 0.307 -2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.505 0.059 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.373 -1.841 -4.809 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.258 -1.945 -3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.582 -1.616 -6.317 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.695 -0.092 -6.424 1.00 0.00 H new ATOM 806 N ALA A 52 5.870 -2.962 -1.339 1.00 0.00 N ATOM 807 CA ALA A 52 4.919 -3.406 -0.359 1.00 0.00 C ATOM 808 C ALA A 52 5.610 -3.862 0.881 1.00 0.00 C ATOM 809 O ALA A 52 5.159 -3.585 1.986 1.00 0.00 O ATOM 810 CB ALA A 52 4.057 -4.480 -0.935 1.00 0.00 C ATOM 0 H ALA A 52 5.990 -3.590 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 52 4.278 -2.569 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.339 -4.811 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.523 -4.092 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.679 -5.322 -1.238 1.00 0.00 H new ATOM 816 N LYS A 53 6.741 -4.536 0.710 1.00 0.00 N ATOM 817 CA LYS A 53 7.482 -4.957 1.860 1.00 0.00 C ATOM 818 C LYS A 53 8.249 -3.783 2.381 1.00 0.00 C ATOM 819 O LYS A 53 8.413 -3.614 3.581 1.00 0.00 O ATOM 820 CB LYS A 53 8.400 -6.129 1.574 1.00 0.00 C ATOM 821 CG LYS A 53 7.798 -7.353 2.242 1.00 0.00 C ATOM 822 CD LYS A 53 8.670 -8.579 1.966 1.00 0.00 C ATOM 823 CE LYS A 53 8.057 -9.804 2.646 1.00 0.00 C ATOM 824 NZ LYS A 53 8.902 -11.000 2.369 1.00 0.00 N ATOM 0 H LYS A 53 7.144 -4.790 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 53 6.780 -5.315 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.497 -6.287 0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.401 -5.935 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.716 -7.188 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.788 -7.522 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.750 -8.748 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.681 -8.411 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.984 -9.638 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.044 -9.968 2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.486 -11.834 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.950 -11.161 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.861 -10.841 2.740 1.00 0.00 H new ATOM 838 N ALA A 54 8.678 -2.940 1.464 1.00 0.00 N ATOM 839 CA ALA A 54 9.368 -1.755 1.875 1.00 0.00 C ATOM 840 C ALA A 54 8.399 -0.971 2.738 1.00 0.00 C ATOM 841 O ALA A 54 8.757 -0.481 3.787 1.00 0.00 O ATOM 842 CB ALA A 54 9.804 -0.913 0.670 1.00 0.00 C ATOM 0 H ALA A 54 8.561 -3.056 0.457 1.00 0.00 H new ATOM 0 HA ALA A 54 10.275 -2.014 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.325 -0.021 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.472 -1.499 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.926 -0.619 0.095 1.00 0.00 H new ATOM 848 N TYR A 55 7.154 -0.845 2.281 1.00 0.00 N ATOM 849 CA TYR A 55 6.185 -0.107 3.052 1.00 0.00 C ATOM 850 C TYR A 55 5.842 -0.816 4.300 1.00 0.00 C ATOM 851 O TYR A 55 5.659 -0.194 5.328 1.00 0.00 O ATOM 852 CB TYR A 55 4.922 0.171 2.322 1.00 0.00 C ATOM 853 CG TYR A 55 4.074 0.950 3.277 1.00 0.00 C ATOM 854 CD1 TYR A 55 4.337 2.300 3.493 1.00 0.00 C ATOM 855 CD2 TYR A 55 3.075 0.310 3.998 1.00 0.00 C ATOM 856 CE1 TYR A 55 3.595 3.017 4.432 1.00 0.00 C ATOM 857 CE2 TYR A 55 2.326 1.027 4.934 1.00 0.00 C ATOM 858 CZ TYR A 55 2.587 2.377 5.155 1.00 0.00 C ATOM 859 OH TYR A 55 1.850 3.078 6.089 1.00 0.00 O ATOM 0 H TYR A 55 6.810 -1.236 1.404 1.00 0.00 H new ATOM 0 HA TYR A 55 6.671 0.845 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.112 0.739 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.429 -0.754 2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.117 2.793 2.932 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.878 -0.739 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.800 4.064 4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.542 0.533 5.488 1.00 0.00 H new ATOM 0 HH TYR A 55 1.986 4.040 5.958 1.00 0.00 H new ATOM 869 N LYS A 56 5.732 -2.116 4.221 1.00 0.00 N ATOM 870 CA LYS A 56 5.410 -2.858 5.384 1.00 0.00 C ATOM 871 C LYS A 56 6.426 -2.451 6.402 1.00 0.00 C ATOM 872 O LYS A 56 6.101 -1.991 7.483 1.00 0.00 O ATOM 873 CB LYS A 56 5.496 -4.347 5.083 1.00 0.00 C ATOM 874 CG LYS A 56 4.178 -5.029 5.453 1.00 0.00 C ATOM 875 CD LYS A 56 4.352 -6.548 5.391 1.00 0.00 C ATOM 876 CE LYS A 56 4.505 -6.985 3.932 1.00 0.00 C ATOM 877 NZ LYS A 56 4.611 -8.470 3.867 1.00 0.00 N ATOM 0 H LYS A 56 5.861 -2.665 3.371 1.00 0.00 H new ATOM 0 HA LYS A 56 4.397 -2.666 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.711 -4.501 4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.317 -4.794 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.870 -4.729 6.454 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.390 -4.715 4.769 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.228 -6.848 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.491 -7.042 5.841 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.650 -6.645 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.392 -6.527 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.715 -8.768 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.440 -8.783 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.752 -8.897 4.268 1.00 0.00 H new ATOM 891 N GLU A 57 7.668 -2.631 6.038 1.00 0.00 N ATOM 892 CA GLU A 57 8.725 -2.290 6.922 1.00 0.00 C ATOM 893 C GLU A 57 8.585 -0.831 7.384 1.00 0.00 C ATOM 894 O GLU A 57 8.959 -0.476 8.493 1.00 0.00 O ATOM 895 CB GLU A 57 10.083 -2.572 6.295 1.00 0.00 C ATOM 896 CG GLU A 57 10.724 -1.306 5.716 1.00 0.00 C ATOM 897 CD GLU A 57 11.665 -1.675 4.574 1.00 0.00 C ATOM 898 OE1 GLU A 57 12.209 -2.766 4.611 1.00 0.00 O ATOM 899 OE2 GLU A 57 11.828 -0.860 3.680 1.00 0.00 O ATOM 0 H GLU A 57 7.961 -3.011 5.138 1.00 0.00 H new ATOM 0 HA GLU A 57 8.657 -2.922 7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.746 -3.003 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.970 -3.315 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.950 -0.628 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.274 -0.777 6.495 1.00 0.00 H new ATOM 906 N TYR A 58 7.979 -0.001 6.555 1.00 0.00 N ATOM 907 CA TYR A 58 7.751 1.374 6.966 1.00 0.00 C ATOM 908 C TYR A 58 6.750 1.376 8.110 1.00 0.00 C ATOM 909 O TYR A 58 6.922 2.070 9.112 1.00 0.00 O ATOM 910 CB TYR A 58 7.241 2.294 5.819 1.00 0.00 C ATOM 911 CG TYR A 58 8.438 2.855 5.073 1.00 0.00 C ATOM 912 CD1 TYR A 58 8.816 2.337 3.829 1.00 0.00 C ATOM 913 CD2 TYR A 58 9.173 3.902 5.643 1.00 0.00 C ATOM 914 CE1 TYR A 58 9.927 2.864 3.160 1.00 0.00 C ATOM 915 CE2 TYR A 58 10.282 4.429 4.973 1.00 0.00 C ATOM 916 CZ TYR A 58 10.658 3.910 3.731 1.00 0.00 C ATOM 917 OH TYR A 58 11.752 4.427 3.070 1.00 0.00 O ATOM 0 H TYR A 58 7.645 -0.242 5.622 1.00 0.00 H new ATOM 0 HA TYR A 58 8.712 1.784 7.276 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.603 1.730 5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.636 3.104 6.226 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.251 1.531 3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.883 4.304 6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.220 2.462 2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.847 5.236 5.415 1.00 0.00 H new ATOM 0 HH TYR A 58 12.146 5.148 3.604 1.00 0.00 H new ATOM 927 N HIS A 59 5.690 0.592 7.929 1.00 0.00 N ATOM 928 CA HIS A 59 4.641 0.512 8.942 1.00 0.00 C ATOM 929 C HIS A 59 5.002 -0.465 10.066 1.00 0.00 C ATOM 930 O HIS A 59 5.408 -0.071 11.159 1.00 0.00 O ATOM 931 CB HIS A 59 3.306 0.116 8.300 1.00 0.00 C ATOM 932 CG HIS A 59 2.224 0.137 9.348 1.00 0.00 C ATOM 933 ND1 HIS A 59 1.747 1.323 9.888 1.00 0.00 N ATOM 934 CD2 HIS A 59 1.517 -0.864 9.966 1.00 0.00 C ATOM 935 CE1 HIS A 59 0.796 1.005 10.786 1.00 0.00 C ATOM 936 NE2 HIS A 59 0.618 -0.315 10.873 1.00 0.00 N ATOM 0 H HIS A 59 5.535 0.012 7.104 1.00 0.00 H new ATOM 0 HA HIS A 59 4.543 1.502 9.388 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.059 0.805 7.492 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.382 -0.878 7.859 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.641 -1.920 9.776 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.244 1.730 11.366 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -0.037 -0.814 11.475 1.00 0.00 H new ATOM 945 N ASP A 60 4.823 -1.738 9.762 1.00 0.00 N ATOM 946 CA ASP A 60 5.089 -2.823 10.686 1.00 0.00 C ATOM 947 C ASP A 60 6.572 -3.077 10.896 1.00 0.00 C ATOM 948 O ASP A 60 6.931 -3.838 11.793 1.00 0.00 O ATOM 949 CB ASP A 60 4.484 -4.099 10.130 1.00 0.00 C ATOM 950 CG ASP A 60 2.986 -3.927 9.937 1.00 0.00 C ATOM 951 OD1 ASP A 60 2.593 -3.539 8.849 1.00 0.00 O ATOM 952 OD2 ASP A 60 2.256 -4.174 10.878 1.00 0.00 O ATOM 0 H ASP A 60 4.484 -2.050 8.852 1.00 0.00 H new ATOM 0 HA ASP A 60 4.653 -2.536 11.643 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.954 -4.349 9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.678 -4.929 10.810 1.00 0.00 H new ATOM 957 N LYS A 61 7.422 -2.530 10.017 1.00 0.00 N ATOM 958 CA LYS A 61 8.841 -2.811 10.093 1.00 0.00 C ATOM 959 C LYS A 61 9.068 -4.235 9.562 1.00 0.00 C ATOM 960 O LYS A 61 10.153 -4.810 9.691 1.00 0.00 O ATOM 961 CB LYS A 61 9.354 -2.623 11.508 1.00 0.00 C ATOM 962 CG LYS A 61 9.713 -3.977 12.133 1.00 0.00 C ATOM 963 CD LYS A 61 9.444 -3.930 13.639 1.00 0.00 C ATOM 964 CE LYS A 61 10.407 -2.938 14.299 1.00 0.00 C ATOM 965 NZ LYS A 61 10.181 -2.925 15.773 1.00 0.00 N ATOM 0 H LYS A 61 7.148 -1.902 9.261 1.00 0.00 H new ATOM 0 HA LYS A 61 9.408 -2.112 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.231 -1.975 11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.596 -2.126 12.113 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.124 -4.770 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.762 -4.209 11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.413 -3.631 13.826 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.572 -4.921 14.073 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.438 -3.217 14.082 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.254 -1.940 13.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.836 -2.251 16.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.201 -2.639 15.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.348 -3.876 16.158 1.00 0.00 H new ATOM 979 N ASN A 62 7.988 -4.758 8.937 1.00 0.00 N ATOM 980 CA ASN A 62 7.933 -6.082 8.345 1.00 0.00 C ATOM 981 C ASN A 62 7.536 -7.123 9.387 1.00 0.00 C ATOM 982 O ASN A 62 7.796 -8.316 9.221 1.00 0.00 O ATOM 983 CB ASN A 62 9.258 -6.493 7.694 1.00 0.00 C ATOM 984 CG ASN A 62 9.509 -5.674 6.434 1.00 0.00 C ATOM 985 OD1 ASN A 62 8.572 -5.116 5.860 1.00 0.00 O ATOM 986 ND2 ASN A 62 10.721 -5.568 5.964 1.00 0.00 N ATOM 0 H ASN A 62 7.114 -4.242 8.837 1.00 0.00 H new ATOM 0 HA ASN A 62 7.177 -6.037 7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.077 -6.348 8.399 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.235 -7.554 7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.895 -5.022 5.120 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.495 -6.031 6.441 1.00 0.00 H new ATOM 993 N GLY A 63 6.885 -6.666 10.457 1.00 0.00 N ATOM 994 CA GLY A 63 6.433 -7.567 11.511 1.00 0.00 C ATOM 995 C GLY A 63 5.089 -8.187 11.135 1.00 0.00 C ATOM 996 O GLY A 63 4.561 -7.925 10.056 1.00 0.00 O ATOM 0 H GLY A 63 6.661 -5.683 10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.172 -8.352 11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.340 -7.022 12.450 1.00 0.00 H new ATOM 1000 N GLY A 64 4.541 -9.008 12.024 1.00 0.00 N ATOM 1001 CA GLY A 64 3.259 -9.650 11.753 1.00 0.00 C ATOM 1002 C GLY A 64 2.123 -8.631 11.786 1.00 0.00 C ATOM 1003 O GLY A 64 2.082 -7.759 12.654 1.00 0.00 O ATOM 0 H GLY A 64 4.956 -9.243 12.926 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.290 -10.135 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.075 -10.430 12.492 1.00 0.00 H new ATOM 1007 N ALA A 65 1.200 -8.752 10.838 1.00 0.00 N ATOM 1008 CA ALA A 65 0.063 -7.840 10.766 1.00 0.00 C ATOM 1009 C ALA A 65 -1.004 -8.393 9.825 1.00 0.00 C ATOM 1010 O ALA A 65 -0.735 -9.290 9.027 1.00 0.00 O ATOM 1011 CB ALA A 65 0.525 -6.464 10.290 1.00 0.00 C ATOM 0 H ALA A 65 1.216 -9.468 10.112 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.370 -7.742 11.761 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.330 -5.790 10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.260 -6.065 10.989 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.975 -6.553 9.301 1.00 0.00 H new ATOM 1017 N ASN A 66 -2.217 -7.858 9.923 1.00 0.00 N ATOM 1018 CA ASN A 66 -3.310 -8.319 9.073 1.00 0.00 C ATOM 1019 C ASN A 66 -4.020 -7.165 8.385 1.00 0.00 C ATOM 1020 O ASN A 66 -5.132 -7.336 7.888 1.00 0.00 O ATOM 1021 CB ASN A 66 -4.339 -9.079 9.901 1.00 0.00 C ATOM 1022 CG ASN A 66 -4.428 -8.472 11.297 1.00 0.00 C ATOM 1023 OD1 ASN A 66 -4.427 -9.196 12.291 1.00 0.00 O ATOM 1024 ND2 ASN A 66 -4.488 -7.175 11.428 1.00 0.00 N ATOM 0 H ASN A 66 -2.467 -7.114 10.574 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.868 -8.967 8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.313 -9.038 9.414 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.060 -10.131 9.969 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.534 -6.758 12.358 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.489 -6.578 10.601 1.00 0.00 H new ATOM 1031 N ARG A 67 -3.405 -5.993 8.337 1.00 0.00 N ATOM 1032 CA ARG A 67 -4.059 -4.886 7.674 1.00 0.00 C ATOM 1033 C ARG A 67 -3.112 -3.887 7.170 1.00 0.00 C ATOM 1034 O ARG A 67 -3.278 -3.422 6.060 1.00 0.00 O ATOM 1035 CB ARG A 67 -5.000 -4.158 8.561 1.00 0.00 C ATOM 1036 CG ARG A 67 -5.471 -2.959 7.760 1.00 0.00 C ATOM 1037 CD ARG A 67 -6.854 -2.526 8.184 1.00 0.00 C ATOM 1038 NE ARG A 67 -7.753 -3.668 8.213 1.00 0.00 N ATOM 1039 CZ ARG A 67 -9.056 -3.532 8.469 1.00 0.00 C ATOM 1040 NH1 ARG A 67 -9.570 -2.350 8.704 1.00 0.00 N ATOM 1041 NH2 ARG A 67 -9.826 -4.586 8.484 1.00 0.00 N ATOM 0 H ARG A 67 -2.488 -5.791 8.735 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.596 -5.357 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.839 -4.792 8.847 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.508 -3.845 9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.772 -2.133 7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.474 -3.206 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.811 -2.063 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.234 -1.773 7.494 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.378 -4.599 8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.973 -1.523 8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.567 -2.257 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.431 -5.509 8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.822 -4.487 8.679 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.132 -3.557 8.004 1.00 0.00 N ATOM 1056 CA LYS A 68 -1.089 -2.576 7.692 1.00 0.00 C ATOM 1057 C LYS A 68 -1.589 -1.337 6.973 1.00 0.00 C ATOM 1058 O LYS A 68 -1.532 -0.231 7.511 1.00 0.00 O ATOM 1059 CB LYS A 68 0.021 -3.184 6.831 1.00 0.00 C ATOM 1060 CG LYS A 68 -0.519 -4.240 5.831 1.00 0.00 C ATOM 1061 CD LYS A 68 -0.549 -5.646 6.462 1.00 0.00 C ATOM 1062 CE LYS A 68 0.841 -6.057 6.968 1.00 0.00 C ATOM 1063 NZ LYS A 68 0.862 -7.524 7.214 1.00 0.00 N ATOM 0 H LYS A 68 -2.035 -3.968 8.932 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.713 -2.279 8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.526 -2.390 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.766 -3.647 7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.523 -3.961 5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.107 -4.253 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.259 -5.661 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.900 -6.370 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.601 -5.789 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.080 -5.520 7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.758 -7.922 6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.776 -7.706 8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.067 -7.971 6.714 1.00 0.00 H new ATOM 1077 N VAL A 69 -2.005 -1.515 5.734 1.00 0.00 N ATOM 1078 CA VAL A 69 -2.416 -0.422 4.935 1.00 0.00 C ATOM 1079 C VAL A 69 -3.871 -0.361 4.680 1.00 0.00 C ATOM 1080 O VAL A 69 -4.285 0.487 3.895 1.00 0.00 O ATOM 1081 CB VAL A 69 -1.731 -0.484 3.597 1.00 0.00 C ATOM 1082 CG1 VAL A 69 -0.233 -0.372 3.813 1.00 0.00 C ATOM 1083 CG2 VAL A 69 -2.089 -1.814 2.917 1.00 0.00 C ATOM 0 H VAL A 69 -2.060 -2.423 5.273 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.142 0.465 5.506 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.057 0.334 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.278 -0.415 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.006 0.575 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.107 -1.195 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.598 -1.870 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.755 -2.643 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.169 -1.874 2.781 1.00 0.00 H new ATOM 1093 N ASN A 70 -4.652 -1.245 5.292 1.00 0.00 N ATOM 1094 CA ASN A 70 -6.071 -1.220 5.040 1.00 0.00 C ATOM 1095 C ASN A 70 -6.302 -1.586 3.602 1.00 0.00 C ATOM 1096 O ASN A 70 -5.841 -0.899 2.716 1.00 0.00 O ATOM 1097 CB ASN A 70 -6.560 0.176 5.311 1.00 0.00 C ATOM 1098 CG ASN A 70 -5.901 0.692 6.565 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -4.894 1.399 6.504 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -6.418 0.396 7.703 1.00 0.00 N ATOM 0 H ASN A 70 -4.332 -1.962 5.943 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.605 -1.925 5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.327 0.827 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.644 0.180 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.995 0.747 8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.252 -0.190 7.747 1.00 0.00 H new ATOM 1107 N ASP A 71 -6.969 -2.690 3.362 1.00 0.00 N ATOM 1108 CA ASP A 71 -7.173 -3.120 2.013 1.00 0.00 C ATOM 1109 C ASP A 71 -7.969 -4.400 2.010 1.00 0.00 C ATOM 1110 O ASP A 71 -8.516 -4.686 3.031 1.00 0.00 O ATOM 1111 CB ASP A 71 -5.788 -3.299 1.375 1.00 0.00 C ATOM 1112 CG ASP A 71 -5.799 -4.353 0.272 1.00 0.00 C ATOM 1113 OD1 ASP A 71 -6.460 -4.133 -0.726 1.00 0.00 O ATOM 1114 OD2 ASP A 71 -5.150 -5.371 0.447 1.00 0.00 O ATOM 1115 OXT ASP A 71 -8.051 -5.052 0.992 1.00 0.00 O ATOM 0 H ASP A 71 -7.372 -3.295 4.077 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.740 -2.390 1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.453 -2.347 0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.069 -3.585 2.143 1.00 0.00 H new