USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 27 THR OG1 : rot -48:sc= 1.13 USER MOD Set 1.2: A 31 THR OG1 : rot 76:sc= 0.638! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0.249 (180deg=-0.164) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0472) USER MOD Single : A 28 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.13) USER MOD Single : A 29 HIS : no HD1:sc= -0.425 K(o=-0.43,f=-2.1) USER MOD Single : A 37 GLN : amide:sc= -4.72! C(o=-4.7!,f=-5!) USER MOD Single : A 38 TYR OH : rot 86:sc= -2.57! USER MOD Single : A 43 SER OG : rot 180:sc= -3.28! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.385 USER MOD Single : A 67 ASN :FLIP amide:sc= -4.64! C(o=-9!,f=-4.6!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= 0.0196 (180deg=-1.35!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.85! C(o=-2.8!,f=-10!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -5.4! C(o=-5.4!,f=-5.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.742 K(o=-0.74,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 11.771 -0.335 3.168 1.00 0.00 N ATOM 216 CA CYS A 14 12.029 0.919 3.935 1.00 0.00 C ATOM 217 C CYS A 14 11.265 0.861 5.266 1.00 0.00 C ATOM 218 O CYS A 14 10.060 1.013 5.314 1.00 0.00 O ATOM 219 CB CYS A 14 11.520 2.047 3.033 1.00 0.00 C ATOM 220 SG CYS A 14 12.825 3.287 2.846 1.00 0.00 S ATOM 0 HA CYS A 14 13.080 1.067 4.183 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.235 1.650 2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.628 2.501 3.465 1.00 0.00 H new ATOM 225 N THR A 15 11.965 0.604 6.342 1.00 0.00 N ATOM 226 CA THR A 15 11.302 0.488 7.679 1.00 0.00 C ATOM 227 C THR A 15 10.766 1.836 8.165 1.00 0.00 C ATOM 228 O THR A 15 10.109 1.913 9.184 1.00 0.00 O ATOM 229 CB THR A 15 12.401 -0.011 8.618 1.00 0.00 C ATOM 230 OG1 THR A 15 13.644 0.561 8.236 1.00 0.00 O ATOM 231 CG2 THR A 15 12.492 -1.535 8.536 1.00 0.00 C ATOM 0 H THR A 15 12.976 0.468 6.353 1.00 0.00 H new ATOM 0 HA THR A 15 10.443 -0.182 7.638 1.00 0.00 H new ATOM 0 HB THR A 15 12.165 0.282 9.641 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.349 0.243 8.838 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.276 -1.889 9.206 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.538 -1.973 8.830 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.727 -1.831 7.514 1.00 0.00 H new ATOM 239 N GLY A 16 11.034 2.895 7.458 1.00 0.00 N ATOM 240 CA GLY A 16 10.533 4.218 7.894 1.00 0.00 C ATOM 241 C GLY A 16 9.008 4.182 7.972 1.00 0.00 C ATOM 242 O GLY A 16 8.408 3.161 8.242 1.00 0.00 O ATOM 0 H GLY A 16 11.579 2.898 6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.952 4.475 8.867 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.854 4.990 7.194 1.00 0.00 H new ATOM 246 N LYS A 17 8.380 5.293 7.740 1.00 0.00 N ATOM 247 CA LYS A 17 6.896 5.340 7.800 1.00 0.00 C ATOM 248 C LYS A 17 6.362 5.858 6.465 1.00 0.00 C ATOM 249 O LYS A 17 7.089 6.453 5.699 1.00 0.00 O ATOM 250 CB LYS A 17 6.622 6.326 8.931 1.00 0.00 C ATOM 251 CG LYS A 17 5.253 6.048 9.555 1.00 0.00 C ATOM 252 CD LYS A 17 4.365 7.280 9.397 1.00 0.00 C ATOM 253 CE LYS A 17 3.929 7.399 7.937 1.00 0.00 C ATOM 254 NZ LYS A 17 2.881 8.457 7.933 1.00 0.00 N ATOM 0 H LYS A 17 8.832 6.178 7.510 1.00 0.00 H new ATOM 0 HA LYS A 17 6.421 4.375 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.399 6.244 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.655 7.347 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.789 5.187 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.366 5.800 10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.492 7.200 10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.907 8.175 9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.767 7.671 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.536 6.453 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.357 8.423 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.224 8.298 8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.329 9.390 8.038 1.00 0.00 H new ATOM 268 N PHE A 18 5.116 5.630 6.153 1.00 0.00 N ATOM 269 CA PHE A 18 4.612 6.121 4.838 1.00 0.00 C ATOM 270 C PHE A 18 3.474 7.128 4.997 1.00 0.00 C ATOM 271 O PHE A 18 2.575 6.957 5.795 1.00 0.00 O ATOM 272 CB PHE A 18 4.136 4.876 4.110 1.00 0.00 C ATOM 273 CG PHE A 18 5.330 4.191 3.508 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.165 3.419 4.318 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.613 4.341 2.147 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.289 2.794 3.771 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.735 3.714 1.597 1.00 0.00 C ATOM 278 CZ PHE A 18 7.574 2.941 2.410 1.00 0.00 C ATOM 0 H PHE A 18 4.439 5.137 6.735 1.00 0.00 H new ATOM 0 HA PHE A 18 5.391 6.651 4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.623 4.206 4.800 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.420 5.142 3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.942 3.305 5.369 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.967 4.940 1.522 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.936 2.199 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.955 3.826 0.546 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.442 2.458 1.985 1.00 0.00 H new ATOM 288 N LYS A 19 3.511 8.174 4.221 1.00 0.00 N ATOM 289 CA LYS A 19 2.440 9.203 4.287 1.00 0.00 C ATOM 290 C LYS A 19 1.584 9.127 3.025 1.00 0.00 C ATOM 291 O LYS A 19 2.070 9.314 1.930 1.00 0.00 O ATOM 292 CB LYS A 19 3.186 10.536 4.331 1.00 0.00 C ATOM 293 CG LYS A 19 2.177 11.684 4.377 1.00 0.00 C ATOM 294 CD LYS A 19 2.874 12.991 3.997 1.00 0.00 C ATOM 295 CE LYS A 19 2.823 13.173 2.478 1.00 0.00 C ATOM 296 NZ LYS A 19 1.712 14.135 2.242 1.00 0.00 N ATOM 0 H LYS A 19 4.245 8.361 3.538 1.00 0.00 H new ATOM 0 HA LYS A 19 1.780 9.070 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.835 10.573 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.826 10.636 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.353 11.486 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.748 11.765 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.388 13.832 4.491 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.909 12.976 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.768 13.559 2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.638 12.225 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.615 14.310 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.824 13.738 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.919 15.030 2.729 1.00 0.00 H new ATOM 310 N VAL A 20 0.316 8.861 3.153 1.00 0.00 N ATOM 311 CA VAL A 20 -0.525 8.790 1.929 1.00 0.00 C ATOM 312 C VAL A 20 -0.461 10.137 1.207 1.00 0.00 C ATOM 313 O VAL A 20 -0.663 11.183 1.789 1.00 0.00 O ATOM 314 CB VAL A 20 -1.943 8.499 2.419 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.857 8.249 1.215 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.927 7.253 3.307 1.00 0.00 C ATOM 0 H VAL A 20 -0.168 8.692 4.035 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.192 8.023 1.230 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.313 9.351 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.869 8.041 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.867 9.132 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.486 7.395 0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.937 7.043 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.558 6.402 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.274 7.424 4.163 1.00 0.00 H new ATOM 326 N VAL A 21 -0.182 10.106 -0.060 1.00 0.00 N ATOM 327 CA VAL A 21 -0.098 11.355 -0.856 1.00 0.00 C ATOM 328 C VAL A 21 -1.361 11.443 -1.702 1.00 0.00 C ATOM 329 O VAL A 21 -1.816 12.505 -2.076 1.00 0.00 O ATOM 330 CB VAL A 21 1.160 11.170 -1.714 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.271 12.285 -2.752 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.394 11.207 -0.812 1.00 0.00 C ATOM 0 H VAL A 21 -0.005 9.251 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.031 12.272 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 21 1.095 10.211 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.170 12.136 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.395 12.267 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.327 13.249 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.291 11.076 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.440 12.167 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.332 10.404 -0.077 1.00 0.00 H new ATOM 342 N LYS A 22 -1.945 10.306 -1.963 1.00 0.00 N ATOM 343 CA LYS A 22 -3.209 10.258 -2.740 1.00 0.00 C ATOM 344 C LYS A 22 -3.903 8.923 -2.465 1.00 0.00 C ATOM 345 O LYS A 22 -3.281 7.870 -2.460 1.00 0.00 O ATOM 346 CB LYS A 22 -2.815 10.380 -4.206 1.00 0.00 C ATOM 347 CG LYS A 22 -4.042 10.106 -5.077 1.00 0.00 C ATOM 348 CD LYS A 22 -3.606 9.380 -6.348 1.00 0.00 C ATOM 349 CE LYS A 22 -4.532 9.769 -7.503 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.006 9.029 -8.683 1.00 0.00 N ATOM 0 H LYS A 22 -1.592 9.397 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.899 11.057 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.425 11.377 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.020 9.672 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.764 9.501 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.538 11.043 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.575 9.638 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.636 8.302 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.565 9.492 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.519 10.845 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.664 9.135 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.076 9.413 -8.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.909 8.021 -8.446 1.00 0.00 H new ATOM 364 N GLU A 23 -5.183 8.971 -2.224 1.00 0.00 N ATOM 365 CA GLU A 23 -5.950 7.727 -1.919 1.00 0.00 C ATOM 366 C GLU A 23 -5.721 6.664 -2.990 1.00 0.00 C ATOM 367 O GLU A 23 -5.399 6.961 -4.123 1.00 0.00 O ATOM 368 CB GLU A 23 -7.415 8.162 -1.901 1.00 0.00 C ATOM 369 CG GLU A 23 -8.192 7.293 -0.909 1.00 0.00 C ATOM 370 CD GLU A 23 -9.222 8.152 -0.174 1.00 0.00 C ATOM 371 OE1 GLU A 23 -10.287 8.370 -0.730 1.00 0.00 O ATOM 372 OE2 GLU A 23 -8.930 8.577 0.931 1.00 0.00 O ATOM 0 H GLU A 23 -5.738 9.827 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.639 7.282 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.490 9.212 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.846 8.069 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.691 6.479 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.507 6.837 -0.194 1.00 0.00 H new ATOM 379 N ILE A 24 -5.892 5.422 -2.631 1.00 0.00 N ATOM 380 CA ILE A 24 -5.691 4.329 -3.620 1.00 0.00 C ATOM 381 C ILE A 24 -6.428 4.659 -4.921 1.00 0.00 C ATOM 382 O ILE A 24 -7.579 5.047 -4.918 1.00 0.00 O ATOM 383 CB ILE A 24 -6.270 3.066 -2.950 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.132 2.246 -2.341 1.00 0.00 C ATOM 385 CG2 ILE A 24 -7.007 2.196 -3.974 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.100 1.917 -3.425 1.00 0.00 C ATOM 0 H ILE A 24 -6.162 5.118 -1.696 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.643 4.190 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.971 3.379 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.660 2.804 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.524 1.326 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.407 1.311 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.825 2.766 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.314 1.891 -4.758 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.289 1.333 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.577 1.342 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.699 2.842 -3.838 1.00 0.00 H new ATOM 398 N ALA A 25 -5.773 4.482 -6.030 1.00 0.00 N ATOM 399 CA ALA A 25 -6.422 4.752 -7.335 1.00 0.00 C ATOM 400 C ALA A 25 -6.722 3.416 -8.008 1.00 0.00 C ATOM 401 O ALA A 25 -6.327 2.379 -7.521 1.00 0.00 O ATOM 402 CB ALA A 25 -5.393 5.546 -8.138 1.00 0.00 C ATOM 0 H ALA A 25 -4.807 4.159 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.358 5.303 -7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.802 5.784 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.154 6.470 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.487 4.952 -8.257 1.00 0.00 H new ATOM 408 N GLU A 26 -7.412 3.416 -9.109 1.00 0.00 N ATOM 409 CA GLU A 26 -7.716 2.119 -9.772 1.00 0.00 C ATOM 410 C GLU A 26 -7.069 2.058 -11.155 1.00 0.00 C ATOM 411 O GLU A 26 -7.262 2.926 -11.983 1.00 0.00 O ATOM 412 CB GLU A 26 -9.238 2.076 -9.884 1.00 0.00 C ATOM 413 CG GLU A 26 -9.749 3.422 -10.397 1.00 0.00 C ATOM 414 CD GLU A 26 -10.262 4.255 -9.220 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.365 3.992 -8.770 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.542 5.142 -8.789 1.00 0.00 O ATOM 0 H GLU A 26 -7.776 4.246 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.326 1.271 -9.209 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.541 1.278 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.679 1.854 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.949 3.954 -10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.548 3.267 -11.122 1.00 0.00 H new ATOM 423 N THR A 27 -6.302 1.034 -11.411 1.00 0.00 N ATOM 424 CA THR A 27 -5.644 0.915 -12.743 1.00 0.00 C ATOM 425 C THR A 27 -6.639 0.375 -13.773 1.00 0.00 C ATOM 426 O THR A 27 -7.835 0.376 -13.556 1.00 0.00 O ATOM 427 CB THR A 27 -4.500 -0.081 -12.537 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.029 -1.397 -12.485 1.00 0.00 O ATOM 429 CG2 THR A 27 -3.772 0.233 -11.229 1.00 0.00 C ATOM 0 H THR A 27 -6.103 0.277 -10.758 1.00 0.00 H new ATOM 0 HA THR A 27 -5.286 1.876 -13.113 1.00 0.00 H new ATOM 0 HB THR A 27 -3.796 -0.003 -13.365 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.793 -1.418 -11.872 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.958 -0.478 -11.086 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.367 1.244 -11.272 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.471 0.157 -10.396 1.00 0.00 H new ATOM 437 N GLN A 28 -6.155 -0.092 -14.891 1.00 0.00 N ATOM 438 CA GLN A 28 -7.073 -0.637 -15.930 1.00 0.00 C ATOM 439 C GLN A 28 -6.900 -2.155 -16.033 1.00 0.00 C ATOM 440 O GLN A 28 -7.054 -2.738 -17.087 1.00 0.00 O ATOM 441 CB GLN A 28 -6.645 0.041 -17.234 1.00 0.00 C ATOM 442 CG GLN A 28 -6.454 1.539 -16.990 1.00 0.00 C ATOM 443 CD GLN A 28 -7.741 2.132 -16.414 1.00 0.00 C ATOM 444 OE1 GLN A 28 -7.706 2.861 -15.443 1.00 0.00 O ATOM 445 NE2 GLN A 28 -8.884 1.850 -16.977 1.00 0.00 N ATOM 0 H GLN A 28 -5.164 -0.120 -15.130 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.121 -0.447 -15.700 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.717 -0.400 -17.599 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.399 -0.120 -18.005 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.626 1.703 -16.301 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.196 2.040 -17.923 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.914 1.238 -17.792 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.748 2.242 -16.602 1.00 0.00 H new ATOM 454 N HIS A 29 -6.575 -2.796 -14.944 1.00 0.00 N ATOM 455 CA HIS A 29 -6.384 -4.275 -14.976 1.00 0.00 C ATOM 456 C HIS A 29 -6.977 -4.918 -13.720 1.00 0.00 C ATOM 457 O HIS A 29 -6.760 -6.082 -13.446 1.00 0.00 O ATOM 458 CB HIS A 29 -4.869 -4.471 -15.009 1.00 0.00 C ATOM 459 CG HIS A 29 -4.426 -4.743 -16.419 1.00 0.00 C ATOM 460 ND1 HIS A 29 -4.533 -3.793 -17.423 1.00 0.00 N ATOM 461 CD2 HIS A 29 -3.875 -5.852 -17.009 1.00 0.00 C ATOM 462 CE1 HIS A 29 -4.055 -4.343 -18.554 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.640 -5.598 -18.358 1.00 0.00 N ATOM 0 H HIS A 29 -6.433 -2.360 -14.033 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.880 -4.736 -15.830 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.369 -3.582 -14.625 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.585 -5.301 -14.362 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.657 -6.781 -16.504 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.012 -3.832 -19.505 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.238 -6.233 -19.048 1.00 0.00 H new ATOM 471 N GLY A 30 -7.713 -4.168 -12.948 1.00 0.00 N ATOM 472 CA GLY A 30 -8.308 -4.736 -11.706 1.00 0.00 C ATOM 473 C GLY A 30 -7.426 -4.366 -10.512 1.00 0.00 C ATOM 474 O GLY A 30 -7.723 -4.698 -9.381 1.00 0.00 O ATOM 0 H GLY A 30 -7.928 -3.186 -13.123 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.317 -4.349 -11.562 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.391 -5.820 -11.791 1.00 0.00 H new ATOM 478 N THR A 31 -6.342 -3.680 -10.755 1.00 0.00 N ATOM 479 CA THR A 31 -5.438 -3.286 -9.638 1.00 0.00 C ATOM 480 C THR A 31 -5.824 -1.906 -9.106 1.00 0.00 C ATOM 481 O THR A 31 -6.786 -1.303 -9.539 1.00 0.00 O ATOM 482 CB THR A 31 -4.037 -3.231 -10.254 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.127 -3.374 -11.665 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.186 -4.363 -9.683 1.00 0.00 C ATOM 0 H THR A 31 -6.043 -3.375 -11.681 1.00 0.00 H new ATOM 0 HA THR A 31 -5.496 -3.986 -8.804 1.00 0.00 H new ATOM 0 HB THR A 31 -3.577 -2.272 -10.017 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.446 -2.535 -12.059 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.189 -4.325 -10.121 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.112 -4.252 -8.601 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.649 -5.321 -9.919 1.00 0.00 H new ATOM 492 N ILE A 32 -5.058 -1.399 -8.187 1.00 0.00 N ATOM 493 CA ILE A 32 -5.335 -0.049 -7.623 1.00 0.00 C ATOM 494 C ILE A 32 -3.995 0.627 -7.376 1.00 0.00 C ATOM 495 O ILE A 32 -2.970 -0.012 -7.424 1.00 0.00 O ATOM 496 CB ILE A 32 -6.103 -0.233 -6.301 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.229 -1.717 -5.929 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.504 0.361 -6.453 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.397 -1.850 -4.415 1.00 0.00 C ATOM 0 H ILE A 32 -4.240 -1.867 -7.796 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.933 0.563 -8.298 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.551 0.274 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.083 -2.160 -6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.344 -2.262 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.056 0.235 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.426 1.423 -6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.031 -0.151 -7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.487 -2.903 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.529 -1.422 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.296 -1.319 -4.101 1.00 0.00 H new ATOM 511 N VAL A 33 -3.970 1.905 -7.147 1.00 0.00 N ATOM 512 CA VAL A 33 -2.657 2.569 -6.948 1.00 0.00 C ATOM 513 C VAL A 33 -2.629 3.440 -5.697 1.00 0.00 C ATOM 514 O VAL A 33 -3.439 4.325 -5.521 1.00 0.00 O ATOM 515 CB VAL A 33 -2.502 3.427 -8.192 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.230 4.260 -8.077 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.429 2.517 -9.417 1.00 0.00 C ATOM 0 H VAL A 33 -4.788 2.512 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.854 1.845 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.355 4.098 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.117 4.876 -8.969 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.293 4.902 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.369 3.598 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.318 3.124 -10.315 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.574 1.848 -9.323 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.344 1.928 -9.488 1.00 0.00 H new ATOM 527 N ILE A 34 -1.677 3.211 -4.837 1.00 0.00 N ATOM 528 CA ILE A 34 -1.574 4.036 -3.614 1.00 0.00 C ATOM 529 C ILE A 34 -0.396 4.993 -3.742 1.00 0.00 C ATOM 530 O ILE A 34 0.741 4.585 -3.828 1.00 0.00 O ATOM 531 CB ILE A 34 -1.388 3.031 -2.473 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.170 3.535 -1.279 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.089 2.883 -2.085 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.465 4.754 -0.694 1.00 0.00 C ATOM 0 H ILE A 34 -0.967 2.485 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.451 4.659 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.744 2.053 -2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.185 3.796 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.252 2.751 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.181 2.162 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.658 2.534 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.478 3.848 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.025 5.120 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.459 4.477 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.407 5.538 -1.449 1.00 0.00 H new ATOM 546 N ARG A 35 -0.659 6.260 -3.746 1.00 0.00 N ATOM 547 CA ARG A 35 0.445 7.238 -3.866 1.00 0.00 C ATOM 548 C ARG A 35 0.735 7.798 -2.482 1.00 0.00 C ATOM 549 O ARG A 35 -0.120 8.371 -1.837 1.00 0.00 O ATOM 550 CB ARG A 35 -0.072 8.302 -4.847 1.00 0.00 C ATOM 551 CG ARG A 35 0.291 9.713 -4.370 1.00 0.00 C ATOM 552 CD ARG A 35 0.164 10.696 -5.537 1.00 0.00 C ATOM 553 NE ARG A 35 1.307 10.374 -6.435 1.00 0.00 N ATOM 554 CZ ARG A 35 1.378 10.909 -7.624 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.451 11.735 -8.029 1.00 0.00 N ATOM 556 NH2 ARG A 35 2.380 10.619 -8.409 1.00 0.00 N ATOM 0 H ARG A 35 -1.593 6.663 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 35 1.381 6.819 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.354 8.128 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.154 8.215 -4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.367 10.013 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.308 9.726 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.789 10.577 -6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.212 11.728 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 35 2.036 9.734 -6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.331 11.964 -7.416 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.509 12.151 -8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.106 9.975 -8.093 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.437 11.036 -9.338 1.00 0.00 H new ATOM 570 N VAL A 36 1.928 7.617 -2.013 1.00 0.00 N ATOM 571 CA VAL A 36 2.269 8.111 -0.673 1.00 0.00 C ATOM 572 C VAL A 36 3.662 8.670 -0.703 1.00 0.00 C ATOM 573 O VAL A 36 4.271 8.781 -1.739 1.00 0.00 O ATOM 574 CB VAL A 36 2.167 6.894 0.249 1.00 0.00 C ATOM 575 CG1 VAL A 36 0.960 6.043 -0.153 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.440 6.048 0.140 1.00 0.00 C ATOM 0 H VAL A 36 2.684 7.144 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 36 1.610 8.907 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 36 2.048 7.237 1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.890 5.177 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.051 6.638 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.079 5.707 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.360 5.184 0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.565 5.710 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.302 6.648 0.432 1.00 0.00 H new ATOM 586 N GLN A 37 4.160 9.030 0.417 1.00 0.00 N ATOM 587 CA GLN A 37 5.509 9.601 0.467 1.00 0.00 C ATOM 588 C GLN A 37 6.264 8.934 1.605 1.00 0.00 C ATOM 589 O GLN A 37 5.807 8.911 2.731 1.00 0.00 O ATOM 590 CB GLN A 37 5.241 11.070 0.746 1.00 0.00 C ATOM 591 CG GLN A 37 6.556 11.853 0.739 1.00 0.00 C ATOM 592 CD GLN A 37 6.578 12.825 1.920 1.00 0.00 C ATOM 593 OE1 GLN A 37 7.209 12.564 2.925 1.00 0.00 O ATOM 594 NE2 GLN A 37 5.911 13.944 1.841 1.00 0.00 N ATOM 0 H GLN A 37 3.686 8.954 1.317 1.00 0.00 H new ATOM 0 HA GLN A 37 6.110 9.462 -0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.564 11.474 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.747 11.181 1.711 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.400 11.167 0.803 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.661 12.400 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.381 14.163 0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.920 14.599 2.623 1.00 0.00 H new ATOM 603 N TYR A 38 7.392 8.361 1.331 1.00 0.00 N ATOM 604 CA TYR A 38 8.119 7.669 2.430 1.00 0.00 C ATOM 605 C TYR A 38 8.489 8.660 3.536 1.00 0.00 C ATOM 606 O TYR A 38 8.865 9.787 3.282 1.00 0.00 O ATOM 607 CB TYR A 38 9.382 7.081 1.809 1.00 0.00 C ATOM 608 CG TYR A 38 10.213 6.449 2.902 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.841 5.208 3.434 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.350 7.104 3.390 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.605 4.623 4.450 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.115 6.517 4.406 1.00 0.00 C ATOM 613 CZ TYR A 38 11.743 5.277 4.935 1.00 0.00 C ATOM 614 OH TYR A 38 12.498 4.698 5.935 1.00 0.00 O ATOM 0 H TYR A 38 7.840 8.338 0.415 1.00 0.00 H new ATOM 0 HA TYR A 38 7.499 6.894 2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.121 6.338 1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.952 7.860 1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.963 4.702 3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.637 8.062 2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.316 3.666 4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 38 12.993 7.022 4.781 1.00 0.00 H new ATOM 0 HH TYR A 38 13.149 4.082 5.538 1.00 0.00 H new ATOM 624 N GLU A 39 8.378 8.240 4.765 1.00 0.00 N ATOM 625 CA GLU A 39 8.717 9.138 5.904 1.00 0.00 C ATOM 626 C GLU A 39 9.566 8.380 6.927 1.00 0.00 C ATOM 627 O GLU A 39 9.061 7.863 7.904 1.00 0.00 O ATOM 628 CB GLU A 39 7.370 9.521 6.515 1.00 0.00 C ATOM 629 CG GLU A 39 6.720 10.620 5.673 1.00 0.00 C ATOM 630 CD GLU A 39 6.720 11.934 6.459 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.551 12.074 7.341 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.888 12.777 6.166 1.00 0.00 O ATOM 0 H GLU A 39 8.065 7.307 5.031 1.00 0.00 H new ATOM 0 HA GLU A 39 9.289 10.012 5.591 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.718 8.649 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.509 9.867 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.263 10.744 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.699 10.339 5.414 1.00 0.00 H new ATOM 639 N GLY A 40 10.850 8.302 6.710 1.00 0.00 N ATOM 640 CA GLY A 40 11.718 7.568 7.672 1.00 0.00 C ATOM 641 C GLY A 40 13.140 7.489 7.131 1.00 0.00 C ATOM 642 O GLY A 40 13.616 8.381 6.458 1.00 0.00 O ATOM 0 H GLY A 40 11.334 8.713 5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.714 8.074 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.326 6.564 7.837 1.00 0.00 H new ATOM 646 N ASP A 41 13.820 6.424 7.429 1.00 0.00 N ATOM 647 CA ASP A 41 15.223 6.270 6.945 1.00 0.00 C ATOM 648 C ASP A 41 15.319 5.112 5.948 1.00 0.00 C ATOM 649 O ASP A 41 14.814 4.033 6.190 1.00 0.00 O ATOM 650 CB ASP A 41 16.043 5.962 8.198 1.00 0.00 C ATOM 651 CG ASP A 41 17.532 6.012 7.856 1.00 0.00 C ATOM 652 OD1 ASP A 41 17.860 5.831 6.695 1.00 0.00 O ATOM 653 OD2 ASP A 41 18.321 6.229 8.762 1.00 0.00 O ATOM 0 H ASP A 41 13.468 5.648 7.989 1.00 0.00 H new ATOM 0 HA ASP A 41 15.579 7.162 6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.814 6.684 8.982 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.780 4.977 8.585 1.00 0.00 H new ATOM 658 N GLY A 42 15.965 5.319 4.831 1.00 0.00 N ATOM 659 CA GLY A 42 16.085 4.214 3.839 1.00 0.00 C ATOM 660 C GLY A 42 16.536 4.753 2.480 1.00 0.00 C ATOM 661 O GLY A 42 17.104 4.031 1.686 1.00 0.00 O ATOM 0 H GLY A 42 16.411 6.197 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.800 3.473 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.126 3.707 3.734 1.00 0.00 H new ATOM 665 N SER A 43 16.291 6.001 2.186 1.00 0.00 N ATOM 666 CA SER A 43 16.724 6.521 0.862 1.00 0.00 C ATOM 667 C SER A 43 16.244 5.536 -0.219 1.00 0.00 C ATOM 668 O SER A 43 15.303 4.812 0.016 1.00 0.00 O ATOM 669 CB SER A 43 18.242 6.555 0.983 1.00 0.00 C ATOM 670 OG SER A 43 18.757 7.653 0.241 1.00 0.00 O ATOM 0 H SER A 43 15.819 6.671 2.793 1.00 0.00 H new ATOM 0 HA SER A 43 16.326 7.499 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.531 6.644 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.667 5.622 0.613 1.00 0.00 H new ATOM 0 HG SER A 43 19.733 7.673 0.322 1.00 0.00 H new ATOM 676 N PRO A 44 16.883 5.511 -1.365 1.00 0.00 N ATOM 677 CA PRO A 44 16.450 4.569 -2.419 1.00 0.00 C ATOM 678 C PRO A 44 16.175 3.201 -1.792 1.00 0.00 C ATOM 679 O PRO A 44 17.069 2.409 -1.573 1.00 0.00 O ATOM 680 CB PRO A 44 17.632 4.537 -3.380 1.00 0.00 C ATOM 681 CG PRO A 44 18.293 5.867 -3.207 1.00 0.00 C ATOM 682 CD PRO A 44 18.028 6.317 -1.791 1.00 0.00 C ATOM 0 HA PRO A 44 15.530 4.857 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.314 3.721 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.303 4.388 -4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.364 5.791 -3.392 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.897 6.589 -3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 44 18.894 6.148 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.803 7.383 -1.748 1.00 0.00 H new ATOM 690 N CYS A 45 14.935 2.937 -1.481 1.00 0.00 N ATOM 691 CA CYS A 45 14.571 1.645 -0.841 1.00 0.00 C ATOM 692 C CYS A 45 13.221 1.163 -1.362 1.00 0.00 C ATOM 693 O CYS A 45 12.505 1.890 -2.015 1.00 0.00 O ATOM 694 CB CYS A 45 14.450 1.966 0.643 1.00 0.00 C ATOM 695 SG CYS A 45 13.231 3.289 0.868 1.00 0.00 S ATOM 0 H CYS A 45 14.152 3.570 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 45 15.305 0.866 -1.047 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.146 1.077 1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.417 2.274 1.041 1.00 0.00 H new ATOM 700 N LYS A 46 12.862 -0.051 -1.062 1.00 0.00 N ATOM 701 CA LYS A 46 11.552 -0.571 -1.535 1.00 0.00 C ATOM 702 C LYS A 46 10.432 -0.144 -0.579 1.00 0.00 C ATOM 703 O LYS A 46 10.676 0.450 0.452 1.00 0.00 O ATOM 704 CB LYS A 46 11.728 -2.086 -1.561 1.00 0.00 C ATOM 705 CG LYS A 46 12.447 -2.494 -2.848 1.00 0.00 C ATOM 706 CD LYS A 46 12.554 -4.017 -2.921 1.00 0.00 C ATOM 707 CE LYS A 46 11.550 -4.552 -3.945 1.00 0.00 C ATOM 708 NZ LYS A 46 12.384 -5.069 -5.066 1.00 0.00 N ATOM 0 H LYS A 46 13.418 -0.705 -0.511 1.00 0.00 H new ATOM 0 HA LYS A 46 11.270 -0.184 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.301 -2.411 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.756 -2.577 -1.503 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.904 -2.117 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.441 -2.049 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.566 -4.308 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.358 -4.453 -1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.931 -5.341 -3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.875 -3.766 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.767 -5.453 -5.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.957 -4.295 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.011 -5.820 -4.714 1.00 0.00 H new ATOM 722 N ILE A 47 9.202 -0.402 -0.938 1.00 0.00 N ATOM 723 CA ILE A 47 8.064 0.038 -0.081 1.00 0.00 C ATOM 724 C ILE A 47 7.291 -1.151 0.500 1.00 0.00 C ATOM 725 O ILE A 47 6.843 -2.016 -0.225 1.00 0.00 O ATOM 726 CB ILE A 47 7.182 0.829 -1.038 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.054 1.820 -1.809 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.113 1.585 -0.248 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.538 2.902 -0.853 1.00 0.00 C ATOM 0 H ILE A 47 8.937 -0.899 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 47 8.399 0.615 0.781 1.00 0.00 H new ATOM 0 HB ILE A 47 6.691 0.150 -1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.904 1.305 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.486 2.266 -2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.484 2.150 -0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.499 0.874 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.593 2.270 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.161 3.614 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.680 3.422 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.120 2.446 -0.052 1.00 0.00 H new ATOM 741 N PRO A 48 7.145 -1.138 1.797 1.00 0.00 N ATOM 742 CA PRO A 48 6.404 -2.215 2.504 1.00 0.00 C ATOM 743 C PRO A 48 4.939 -2.244 2.068 1.00 0.00 C ATOM 744 O PRO A 48 4.334 -1.222 1.808 1.00 0.00 O ATOM 745 CB PRO A 48 6.500 -1.812 3.970 1.00 0.00 C ATOM 746 CG PRO A 48 7.659 -0.877 4.036 1.00 0.00 C ATOM 747 CD PRO A 48 7.650 -0.135 2.735 1.00 0.00 C ATOM 0 HA PRO A 48 6.809 -3.206 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.583 -1.329 4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.657 -2.681 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.563 -0.192 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.594 -1.420 4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.006 0.743 2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.646 0.212 2.460 1.00 0.00 H new ATOM 755 N PHE A 49 4.369 -3.410 1.991 1.00 0.00 N ATOM 756 CA PHE A 49 2.949 -3.530 1.576 1.00 0.00 C ATOM 757 C PHE A 49 2.349 -4.816 2.155 1.00 0.00 C ATOM 758 O PHE A 49 3.051 -5.776 2.398 1.00 0.00 O ATOM 759 CB PHE A 49 3.029 -3.625 0.062 1.00 0.00 C ATOM 760 CG PHE A 49 1.792 -3.016 -0.559 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.647 -3.799 -0.760 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.790 -1.668 -0.935 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.496 -3.229 -1.336 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.646 -1.100 -1.510 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.496 -1.881 -1.710 1.00 0.00 C ATOM 0 H PHE A 49 4.832 -4.294 2.200 1.00 0.00 H new ATOM 0 HA PHE A 49 2.326 -2.703 1.918 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.919 -3.108 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.123 -4.668 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.646 -4.840 -0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.672 -1.064 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.379 -3.831 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.646 -0.059 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.378 -1.444 -2.153 1.00 0.00 H new ATOM 775 N GLU A 50 1.062 -4.854 2.371 1.00 0.00 N ATOM 776 CA GLU A 50 0.452 -6.097 2.925 1.00 0.00 C ATOM 777 C GLU A 50 -1.074 -6.056 2.785 1.00 0.00 C ATOM 778 O GLU A 50 -1.768 -5.467 3.589 1.00 0.00 O ATOM 779 CB GLU A 50 0.869 -6.124 4.399 1.00 0.00 C ATOM 780 CG GLU A 50 -0.039 -7.078 5.179 1.00 0.00 C ATOM 781 CD GLU A 50 0.104 -8.493 4.617 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.194 -8.830 4.185 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.879 -9.216 4.628 1.00 0.00 O ATOM 0 H GLU A 50 0.413 -4.088 2.191 1.00 0.00 H new ATOM 0 HA GLU A 50 0.785 -6.990 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.908 -6.443 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.807 -5.121 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.227 -7.067 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.076 -6.750 5.107 1.00 0.00 H new ATOM 790 N ILE A 51 -1.599 -6.686 1.769 1.00 0.00 N ATOM 791 CA ILE A 51 -3.078 -6.693 1.576 1.00 0.00 C ATOM 792 C ILE A 51 -3.685 -7.922 2.259 1.00 0.00 C ATOM 793 O ILE A 51 -3.166 -9.017 2.159 1.00 0.00 O ATOM 794 CB ILE A 51 -3.284 -6.762 0.060 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.321 -5.793 -0.634 1.00 0.00 C ATOM 796 CG2 ILE A 51 -4.725 -6.373 -0.278 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.709 -5.646 -2.109 1.00 0.00 C ATOM 0 H ILE A 51 -1.067 -7.196 1.064 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.558 -5.815 2.008 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.089 -7.778 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.351 -4.821 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.298 -6.161 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.872 -6.422 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.413 -7.062 0.213 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.919 -5.358 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.022 -4.956 -2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.656 -6.619 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.725 -5.258 -2.181 1.00 0.00 H new ATOM 970 N GLY A 61 -5.398 -10.635 -2.436 1.00 0.00 N ATOM 971 CA GLY A 61 -4.879 -9.384 -3.058 1.00 0.00 C ATOM 972 C GLY A 61 -3.495 -9.645 -3.653 1.00 0.00 C ATOM 973 O GLY A 61 -2.841 -10.618 -3.332 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.562 -9.042 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.822 -8.591 -2.312 1.00 0.00 H new ATOM 977 N ARG A 62 -3.044 -8.783 -4.522 1.00 0.00 N ATOM 978 CA ARG A 62 -1.703 -8.977 -5.144 1.00 0.00 C ATOM 979 C ARG A 62 -1.010 -7.637 -5.337 1.00 0.00 C ATOM 980 O ARG A 62 -1.606 -6.587 -5.197 1.00 0.00 O ATOM 981 CB ARG A 62 -1.981 -9.613 -6.501 1.00 0.00 C ATOM 982 CG ARG A 62 -1.036 -10.796 -6.707 1.00 0.00 C ATOM 983 CD ARG A 62 0.222 -10.322 -7.440 1.00 0.00 C ATOM 984 NE ARG A 62 0.287 -11.158 -8.671 1.00 0.00 N ATOM 985 CZ ARG A 62 1.340 -11.109 -9.441 1.00 0.00 C ATOM 986 NH1 ARG A 62 2.345 -10.333 -9.134 1.00 0.00 N ATOM 987 NH2 ARG A 62 1.389 -11.839 -10.522 1.00 0.00 N ATOM 0 H ARG A 62 -3.547 -7.951 -4.829 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.054 -9.593 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.017 -9.947 -6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.842 -8.879 -7.295 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.767 -11.232 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.533 -11.577 -7.283 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.160 -9.262 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.112 -10.455 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.493 -11.770 -8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.309 -9.762 -8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.166 -10.298 -9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.606 -12.446 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.211 -11.802 -11.125 1.00 0.00 H new ATOM 1001 N LEU A 63 0.245 -7.669 -5.670 1.00 0.00 N ATOM 1002 CA LEU A 63 0.981 -6.407 -5.888 1.00 0.00 C ATOM 1003 C LEU A 63 1.530 -6.377 -7.314 1.00 0.00 C ATOM 1004 O LEU A 63 2.305 -7.225 -7.708 1.00 0.00 O ATOM 1005 CB LEU A 63 2.116 -6.431 -4.862 1.00 0.00 C ATOM 1006 CG LEU A 63 2.224 -5.064 -4.191 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.362 -3.992 -5.267 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.964 -4.798 -3.366 1.00 0.00 C ATOM 0 H LEU A 63 0.792 -8.520 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 63 0.355 -5.523 -5.769 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.928 -7.201 -4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.057 -6.684 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 63 3.095 -5.044 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.440 -3.012 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.258 -4.183 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.487 -4.014 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.042 -3.822 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.091 -4.813 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.859 -5.569 -2.603 1.00 0.00 H new ATOM 1020 N ILE A 64 1.157 -5.396 -8.086 1.00 0.00 N ATOM 1021 CA ILE A 64 1.689 -5.306 -9.472 1.00 0.00 C ATOM 1022 C ILE A 64 3.017 -4.575 -9.384 1.00 0.00 C ATOM 1023 O ILE A 64 3.925 -4.772 -10.165 1.00 0.00 O ATOM 1024 CB ILE A 64 0.656 -4.491 -10.250 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.505 -5.396 -10.657 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.305 -3.898 -11.503 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.025 -6.144 -9.429 1.00 0.00 C ATOM 0 H ILE A 64 0.509 -4.655 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 64 1.849 -6.269 -9.957 1.00 0.00 H new ATOM 0 HB ILE A 64 0.284 -3.683 -9.620 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.305 -4.802 -11.100 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.177 -6.106 -11.416 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.566 -3.318 -12.056 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.132 -3.250 -11.212 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.680 -4.703 -12.135 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.854 -6.790 -9.720 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.224 -6.750 -9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.369 -5.426 -8.684 1.00 0.00 H new ATOM 1039 N THR A 65 3.119 -3.748 -8.388 1.00 0.00 N ATOM 1040 CA THR A 65 4.359 -2.986 -8.138 1.00 0.00 C ATOM 1041 C THR A 65 4.983 -3.537 -6.852 1.00 0.00 C ATOM 1042 O THR A 65 5.472 -2.812 -6.013 1.00 0.00 O ATOM 1043 CB THR A 65 3.861 -1.547 -7.973 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.620 -0.982 -9.254 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.893 -0.709 -7.238 1.00 0.00 C ATOM 0 H THR A 65 2.370 -3.566 -7.720 1.00 0.00 H new ATOM 0 HA THR A 65 5.118 -3.050 -8.918 1.00 0.00 H new ATOM 0 HB THR A 65 2.939 -1.558 -7.392 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.613 -0.004 -9.184 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.523 0.311 -7.129 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.073 -1.137 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.824 -0.699 -7.805 1.00 0.00 H new ATOM 1053 N VAL A 66 4.924 -4.840 -6.701 1.00 0.00 N ATOM 1054 CA VAL A 66 5.464 -5.518 -5.477 1.00 0.00 C ATOM 1055 C VAL A 66 6.569 -4.702 -4.819 1.00 0.00 C ATOM 1056 O VAL A 66 7.588 -4.411 -5.413 1.00 0.00 O ATOM 1057 CB VAL A 66 6.019 -6.858 -5.964 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.032 -7.408 -4.951 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.871 -7.860 -6.118 1.00 0.00 C ATOM 0 H VAL A 66 4.516 -5.474 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 66 4.684 -5.638 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 66 6.513 -6.708 -6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.421 -8.362 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.854 -6.701 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.542 -7.553 -3.988 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.266 -8.815 -6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.378 -7.999 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.151 -7.480 -6.843 1.00 0.00 H new ATOM 1069 N ASN A 67 6.377 -4.359 -3.583 1.00 0.00 N ATOM 1070 CA ASN A 67 7.414 -3.593 -2.857 1.00 0.00 C ATOM 1071 C ASN A 67 8.010 -2.500 -3.753 1.00 0.00 C ATOM 1072 O ASN A 67 9.155 -2.585 -4.153 1.00 0.00 O ATOM 1073 CB ASN A 67 8.466 -4.647 -2.505 1.00 0.00 C ATOM 1074 CG ASN A 67 9.061 -4.362 -1.122 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.921 -3.180 -0.587 1.00 0.00 O flip ATOM 1076 ND2 ASN A 67 9.661 -5.229 -0.521 1.00 0.00 N flip ATOM 0 H ASN A 67 5.541 -4.578 -3.042 1.00 0.00 H new ATOM 0 HA ASN A 67 7.024 -3.079 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.015 -5.639 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.256 -4.647 -3.256 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.772 -6.154 -0.936 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.054 -5.033 0.400 1.00 0.00 H new ATOM 1083 N PRO A 68 7.215 -1.499 -4.033 1.00 0.00 N ATOM 1084 CA PRO A 68 7.687 -0.380 -4.881 1.00 0.00 C ATOM 1085 C PRO A 68 8.953 0.205 -4.264 1.00 0.00 C ATOM 1086 O PRO A 68 9.487 -0.352 -3.332 1.00 0.00 O ATOM 1087 CB PRO A 68 6.542 0.634 -4.870 1.00 0.00 C ATOM 1088 CG PRO A 68 5.499 0.103 -3.928 1.00 0.00 C ATOM 1089 CD PRO A 68 5.835 -1.326 -3.586 1.00 0.00 C ATOM 0 HA PRO A 68 7.932 -0.681 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.895 1.612 -4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.130 0.762 -5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.464 0.709 -3.023 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.512 0.159 -4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.739 -1.510 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.165 -2.022 -4.091 1.00 0.00 H new ATOM 1097 N ILE A 69 9.448 1.311 -4.763 1.00 0.00 N ATOM 1098 CA ILE A 69 10.697 1.878 -4.167 1.00 0.00 C ATOM 1099 C ILE A 69 10.689 3.408 -4.140 1.00 0.00 C ATOM 1100 O ILE A 69 10.220 4.060 -5.052 1.00 0.00 O ATOM 1101 CB ILE A 69 11.830 1.414 -5.088 1.00 0.00 C ATOM 1102 CG1 ILE A 69 11.958 -0.121 -5.033 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.142 2.091 -4.653 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.375 -0.544 -4.612 1.00 0.00 C ATOM 0 H ILE A 69 9.051 1.837 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 69 10.803 1.544 -3.135 1.00 0.00 H new ATOM 0 HB ILE A 69 11.611 1.697 -6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.230 -0.525 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.724 -0.544 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.953 1.765 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.033 3.173 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.370 1.815 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.436 -1.632 -4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.098 -0.160 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.597 -0.141 -3.624 1.00 0.00 H new ATOM 1116 N VAL A 70 11.280 3.979 -3.123 1.00 0.00 N ATOM 1117 CA VAL A 70 11.396 5.466 -3.051 1.00 0.00 C ATOM 1118 C VAL A 70 12.792 5.827 -3.554 1.00 0.00 C ATOM 1119 O VAL A 70 13.657 4.977 -3.613 1.00 0.00 O ATOM 1120 CB VAL A 70 11.246 5.838 -1.573 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.312 7.357 -1.414 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.897 5.341 -1.059 1.00 0.00 C ATOM 0 H VAL A 70 11.689 3.477 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 70 10.648 5.989 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 70 12.052 5.376 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.205 7.618 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.272 7.720 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.507 7.818 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.789 5.605 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.095 5.805 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.842 4.258 -1.169 1.00 0.00 H new ATOM 1132 N THR A 71 13.034 7.050 -3.925 1.00 0.00 N ATOM 1133 CA THR A 71 14.397 7.389 -4.427 1.00 0.00 C ATOM 1134 C THR A 71 15.081 8.419 -3.528 1.00 0.00 C ATOM 1135 O THR A 71 16.281 8.597 -3.584 1.00 0.00 O ATOM 1136 CB THR A 71 14.183 7.963 -5.825 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.158 7.232 -6.485 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.486 7.852 -6.616 1.00 0.00 C ATOM 0 H THR A 71 12.364 7.819 -3.905 1.00 0.00 H new ATOM 0 HA THR A 71 15.044 6.512 -4.436 1.00 0.00 H new ATOM 0 HB THR A 71 13.888 9.010 -5.753 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.019 7.601 -7.382 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.340 8.260 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.270 8.412 -6.106 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.778 6.805 -6.691 1.00 0.00 H new ATOM 1146 N GLU A 72 14.341 9.106 -2.705 1.00 0.00 N ATOM 1147 CA GLU A 72 14.987 10.120 -1.825 1.00 0.00 C ATOM 1148 C GLU A 72 14.343 10.135 -0.441 1.00 0.00 C ATOM 1149 O GLU A 72 14.506 11.073 0.314 1.00 0.00 O ATOM 1150 CB GLU A 72 14.765 11.452 -2.536 1.00 0.00 C ATOM 1151 CG GLU A 72 15.396 11.392 -3.926 1.00 0.00 C ATOM 1152 CD GLU A 72 15.793 12.800 -4.369 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.870 13.236 -3.997 1.00 0.00 O ATOM 1154 OE2 GLU A 72 15.015 13.420 -5.075 1.00 0.00 O ATOM 0 H GLU A 72 13.330 9.013 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 72 16.044 9.907 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.698 11.661 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.206 12.264 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.272 10.744 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.692 10.961 -4.638 1.00 0.00 H new ATOM 1161 N LYS A 73 13.612 9.104 -0.102 1.00 0.00 N ATOM 1162 CA LYS A 73 12.951 9.039 1.239 1.00 0.00 C ATOM 1163 C LYS A 73 11.723 9.954 1.290 1.00 0.00 C ATOM 1164 O LYS A 73 10.924 9.876 2.201 1.00 0.00 O ATOM 1165 CB LYS A 73 14.008 9.511 2.242 1.00 0.00 C ATOM 1166 CG LYS A 73 14.129 8.502 3.381 1.00 0.00 C ATOM 1167 CD LYS A 73 15.530 8.595 3.986 1.00 0.00 C ATOM 1168 CE LYS A 73 15.769 10.014 4.511 1.00 0.00 C ATOM 1169 NZ LYS A 73 14.521 10.369 5.243 1.00 0.00 N ATOM 0 H LYS A 73 13.443 8.296 -0.702 1.00 0.00 H new ATOM 0 HA LYS A 73 12.600 8.031 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.970 9.626 1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.735 10.489 2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.376 8.703 4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.946 7.493 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.636 7.874 4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.279 8.343 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.637 10.050 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.959 10.710 3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.726 11.115 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.808 10.711 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.156 9.529 5.735 1.00 0.00 H new ATOM 1183 N ASP A 74 11.564 10.819 0.329 1.00 0.00 N ATOM 1184 CA ASP A 74 10.386 11.726 0.343 1.00 0.00 C ATOM 1185 C ASP A 74 9.726 11.757 -1.036 1.00 0.00 C ATOM 1186 O ASP A 74 8.717 12.400 -1.231 1.00 0.00 O ATOM 1187 CB ASP A 74 10.953 13.098 0.700 1.00 0.00 C ATOM 1188 CG ASP A 74 9.844 13.971 1.290 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.245 13.554 2.268 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.610 15.042 0.754 1.00 0.00 O ATOM 0 H ASP A 74 12.197 10.937 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 74 9.622 11.404 1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.767 12.991 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.371 13.573 -0.188 1.00 0.00 H new ATOM 1195 N SER A 75 10.278 11.057 -1.990 1.00 0.00 N ATOM 1196 CA SER A 75 9.659 11.046 -3.343 1.00 0.00 C ATOM 1197 C SER A 75 8.370 10.228 -3.285 1.00 0.00 C ATOM 1198 O SER A 75 8.404 9.032 -3.075 1.00 0.00 O ATOM 1199 CB SER A 75 10.690 10.370 -4.248 1.00 0.00 C ATOM 1200 OG SER A 75 10.353 10.615 -5.608 1.00 0.00 O ATOM 0 H SER A 75 11.125 10.497 -1.891 1.00 0.00 H new ATOM 0 HA SER A 75 9.406 12.041 -3.708 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.687 10.754 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.713 9.298 -4.054 1.00 0.00 H new ATOM 0 HG SER A 75 11.013 10.185 -6.191 1.00 0.00 H new ATOM 1206 N PRO A 76 7.268 10.907 -3.449 1.00 0.00 N ATOM 1207 CA PRO A 76 5.956 10.232 -3.384 1.00 0.00 C ATOM 1208 C PRO A 76 5.956 8.978 -4.267 1.00 0.00 C ATOM 1209 O PRO A 76 6.276 9.035 -5.438 1.00 0.00 O ATOM 1210 CB PRO A 76 4.977 11.277 -3.914 1.00 0.00 C ATOM 1211 CG PRO A 76 5.659 12.595 -3.718 1.00 0.00 C ATOM 1212 CD PRO A 76 7.145 12.344 -3.714 1.00 0.00 C ATOM 0 HA PRO A 76 5.699 9.896 -2.380 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.750 11.105 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.031 11.240 -3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.390 13.288 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.346 13.052 -2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.597 12.613 -4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.646 12.934 -2.947 1.00 0.00 H new ATOM 1220 N VAL A 77 5.605 7.845 -3.718 1.00 0.00 N ATOM 1221 CA VAL A 77 5.595 6.594 -4.538 1.00 0.00 C ATOM 1222 C VAL A 77 4.176 6.030 -4.674 1.00 0.00 C ATOM 1223 O VAL A 77 3.383 6.082 -3.755 1.00 0.00 O ATOM 1224 CB VAL A 77 6.483 5.617 -3.783 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.540 4.304 -4.559 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.888 6.204 -3.679 1.00 0.00 C ATOM 0 H VAL A 77 5.326 7.730 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 77 5.950 6.778 -5.552 1.00 0.00 H new ATOM 0 HB VAL A 77 6.084 5.439 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.174 3.594 -4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.535 3.893 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.952 4.486 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.533 5.511 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.289 6.368 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.847 7.153 -3.144 1.00 0.00 H new ATOM 1236 N ASN A 78 3.858 5.484 -5.818 1.00 0.00 N ATOM 1237 CA ASN A 78 2.499 4.903 -6.027 1.00 0.00 C ATOM 1238 C ASN A 78 2.582 3.372 -5.979 1.00 0.00 C ATOM 1239 O ASN A 78 3.481 2.792 -6.557 1.00 0.00 O ATOM 1240 CB ASN A 78 2.093 5.362 -7.427 1.00 0.00 C ATOM 1241 CG ASN A 78 2.170 6.888 -7.510 1.00 0.00 C ATOM 1242 OD1 ASN A 78 2.968 7.506 -6.832 1.00 0.00 O ATOM 1243 ND2 ASN A 78 1.370 7.526 -8.319 1.00 0.00 N ATOM 0 H ASN A 78 4.484 5.415 -6.620 1.00 0.00 H new ATOM 0 HA ASN A 78 1.785 5.218 -5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.750 4.914 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.081 5.026 -7.651 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.414 8.543 -8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.700 7.008 -8.888 1.00 0.00 H new ATOM 1250 N ILE A 79 1.678 2.689 -5.310 1.00 0.00 N ATOM 1251 CA ILE A 79 1.800 1.201 -5.291 1.00 0.00 C ATOM 1252 C ILE A 79 0.621 0.533 -5.992 1.00 0.00 C ATOM 1253 O ILE A 79 -0.519 0.636 -5.584 1.00 0.00 O ATOM 1254 CB ILE A 79 1.865 0.796 -3.826 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.903 1.671 -3.107 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.278 -0.677 -3.760 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.200 1.101 -1.717 1.00 0.00 C ATOM 0 H ILE A 79 0.890 3.083 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 79 2.691 0.880 -5.830 1.00 0.00 H new ATOM 0 HB ILE A 79 0.898 0.931 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.821 1.716 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.531 2.692 -3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.332 -0.993 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.542 -1.285 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.254 -0.803 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.937 1.729 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.282 1.079 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.592 0.089 -1.815 1.00 0.00 H new ATOM 1269 N GLU A 80 0.920 -0.157 -7.050 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.123 -0.870 -7.837 1.00 0.00 C ATOM 1271 C GLU A 80 -0.348 -2.278 -7.276 1.00 0.00 C ATOM 1272 O GLU A 80 0.523 -3.123 -7.337 1.00 0.00 O ATOM 1273 CB GLU A 80 0.459 -0.941 -9.248 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.589 -0.472 -10.252 1.00 0.00 C ATOM 1275 CD GLU A 80 0.066 -0.256 -11.618 1.00 0.00 C ATOM 1276 OE1 GLU A 80 0.473 -1.237 -12.218 1.00 0.00 O ATOM 1277 OE2 GLU A 80 0.148 0.885 -12.039 1.00 0.00 O ATOM 0 H GLU A 80 1.867 -0.261 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.090 -0.367 -7.807 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.350 -0.317 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.766 -1.962 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.386 -1.211 -10.333 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.048 0.455 -9.907 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.509 -2.546 -6.734 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.770 -3.908 -6.177 1.00 0.00 C ATOM 1286 C ALA A 81 -3.122 -4.441 -6.650 1.00 0.00 C ATOM 1287 O ALA A 81 -4.046 -3.693 -6.890 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.764 -3.733 -4.654 1.00 0.00 C ATOM 0 H ALA A 81 -2.282 -1.886 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.020 -4.627 -6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.950 -4.695 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.794 -3.351 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.544 -3.028 -4.366 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.241 -5.734 -6.792 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.531 -6.318 -7.253 1.00 0.00 C ATOM 1296 C GLU A 82 -5.322 -6.862 -6.059 1.00 0.00 C ATOM 1297 O GLU A 82 -5.063 -7.951 -5.587 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.130 -7.451 -8.194 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.382 -8.195 -8.661 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.783 -7.695 -10.050 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.903 -7.548 -10.882 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -6.964 -7.469 -10.259 1.00 0.00 O ATOM 0 H GLU A 82 -2.500 -6.410 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.169 -5.584 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.591 -7.051 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.454 -8.138 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.191 -9.268 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.197 -8.035 -7.956 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.263 -6.076 -5.611 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.106 -6.477 -4.458 1.00 0.00 C ATOM 1311 C PRO A 83 -7.979 -7.680 -4.825 1.00 0.00 C ATOM 1312 O PRO A 83 -8.317 -7.875 -5.976 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.969 -5.247 -4.184 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.927 -4.442 -5.445 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.626 -4.758 -6.133 1.00 0.00 C ATOM 0 HA PRO A 83 -6.519 -6.777 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.991 -5.532 -3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.582 -4.676 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.772 -4.690 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.996 -3.377 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.741 -4.775 -7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.863 -4.014 -5.905 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.317 -8.448 -3.825 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.164 -9.648 -4.038 1.00 0.00 C ATOM 1325 C PRO A 84 -10.559 -9.234 -4.514 1.00 0.00 C ATOM 1326 O PRO A 84 -10.902 -9.388 -5.670 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.234 -10.303 -2.657 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.836 -9.235 -1.686 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.944 -8.272 -2.420 1.00 0.00 C ATOM 0 HA PRO A 84 -8.765 -10.320 -4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.239 -10.669 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.563 -11.160 -2.595 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.716 -8.723 -1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.314 -9.667 -0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.106 -7.246 -2.089 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.891 -8.498 -2.255 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.600 -3.542 3.243 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.666 -2.535 3.829 1.00 0.00 C ATOM 1389 C TYR A 89 -6.220 -2.888 3.475 1.00 0.00 C ATOM 1390 O TYR A 89 -5.600 -3.713 4.115 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.871 -2.617 5.345 1.00 0.00 C ATOM 1392 CG TYR A 89 -9.342 -2.752 5.661 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -10.287 -2.033 4.919 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.761 -3.597 6.696 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.651 -2.159 5.213 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -11.124 -3.723 6.990 1.00 0.00 C ATOM 1397 CZ TYR A 89 -12.069 -3.003 6.248 1.00 0.00 C ATOM 1398 OH TYR A 89 -13.413 -3.128 6.537 1.00 0.00 O ATOM 0 HA TYR A 89 -7.860 -1.533 3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.324 -3.469 5.749 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.468 -1.724 5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.965 -1.381 4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.032 -4.152 7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.380 -1.605 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.447 -4.375 7.788 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.531 -3.754 7.282 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.676 -2.265 2.467 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.268 -2.567 2.086 1.00 0.00 C ATOM 1410 C ILE A 90 -3.313 -1.934 3.100 1.00 0.00 C ATOM 1411 O ILE A 90 -3.514 -0.820 3.540 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.085 -1.933 0.708 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.877 -2.733 -0.329 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.602 -1.944 0.335 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.421 -1.785 -1.398 1.00 0.00 C ATOM 0 H ILE A 90 -6.143 -1.563 1.893 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.059 -3.637 2.069 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.447 -0.905 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.238 -3.487 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.698 -3.263 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.471 -1.492 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.037 -1.376 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.240 -2.972 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.985 -2.355 -2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.075 -1.048 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.592 -1.276 -1.889 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.279 -2.632 3.482 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.326 -2.057 4.472 1.00 0.00 C ATOM 1429 C ILE A 91 -0.104 -1.484 3.757 1.00 0.00 C ATOM 1430 O ILE A 91 0.286 -1.948 2.702 1.00 0.00 O ATOM 1431 CB ILE A 91 -0.928 -3.223 5.371 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.080 -3.543 6.328 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.313 -2.843 6.178 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.052 -5.032 6.679 1.00 0.00 C ATOM 0 H ILE A 91 -2.054 -3.571 3.153 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.769 -1.241 5.043 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.709 -4.098 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.992 -2.943 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.033 -3.285 5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.598 -3.676 6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.133 -2.612 5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.094 -1.969 6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.872 -5.261 7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.161 -5.622 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.104 -5.275 7.158 1.00 0.00 H new ATOM 1446 N ILE A 92 0.497 -0.475 4.320 1.00 0.00 N ATOM 1447 CA ILE A 92 1.690 0.141 3.671 1.00 0.00 C ATOM 1448 C ILE A 92 2.751 0.464 4.728 1.00 0.00 C ATOM 1449 O ILE A 92 2.429 0.881 5.820 1.00 0.00 O ATOM 1450 CB ILE A 92 1.137 1.423 3.024 1.00 0.00 C ATOM 1451 CG1 ILE A 92 0.870 1.167 1.542 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.132 2.583 3.163 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.528 2.489 0.855 1.00 0.00 C ATOM 0 H ILE A 92 0.215 -0.049 5.203 1.00 0.00 H new ATOM 0 HA ILE A 92 2.172 -0.511 2.943 1.00 0.00 H new ATOM 0 HB ILE A 92 0.213 1.695 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.746 0.717 1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.049 0.460 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.716 3.477 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.319 2.778 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.069 2.320 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.337 2.310 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.360 2.920 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.364 3.181 0.961 1.00 0.00 H new ATOM 1465 N GLY A 93 4.008 0.294 4.414 1.00 0.00 N ATOM 1466 CA GLY A 93 5.055 0.619 5.417 1.00 0.00 C ATOM 1467 C GLY A 93 5.177 -0.530 6.409 1.00 0.00 C ATOM 1468 O GLY A 93 4.816 -1.655 6.127 1.00 0.00 O ATOM 0 H GLY A 93 4.349 -0.052 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.010 0.788 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.800 1.541 5.940 1.00 0.00 H new ATOM 1472 N VAL A 94 5.679 -0.260 7.575 1.00 0.00 N ATOM 1473 CA VAL A 94 5.821 -1.346 8.585 1.00 0.00 C ATOM 1474 C VAL A 94 5.205 -0.910 9.911 1.00 0.00 C ATOM 1475 O VAL A 94 5.064 0.261 10.165 1.00 0.00 O ATOM 1476 CB VAL A 94 7.330 -1.561 8.714 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.785 -2.507 7.602 1.00 0.00 C ATOM 1478 CG2 VAL A 94 8.057 -0.219 8.569 1.00 0.00 C ATOM 0 H VAL A 94 5.997 0.661 7.876 1.00 0.00 H new ATOM 0 HA VAL A 94 5.309 -2.264 8.296 1.00 0.00 H new ATOM 0 HB VAL A 94 7.561 -1.989 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.860 -2.670 7.680 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.265 -3.460 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.555 -2.066 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.132 -0.376 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.836 0.211 7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.721 0.463 9.350 1.00 0.00 H new ATOM 1488 N GLU A 95 4.830 -1.846 10.750 1.00 0.00 N ATOM 1489 CA GLU A 95 4.214 -1.484 12.067 1.00 0.00 C ATOM 1490 C GLU A 95 4.812 -0.177 12.596 1.00 0.00 C ATOM 1491 O GLU A 95 4.099 0.765 12.879 1.00 0.00 O ATOM 1492 CB GLU A 95 4.558 -2.647 12.997 1.00 0.00 C ATOM 1493 CG GLU A 95 3.312 -3.506 13.223 1.00 0.00 C ATOM 1494 CD GLU A 95 3.729 -4.887 13.734 1.00 0.00 C ATOM 1495 OE1 GLU A 95 4.920 -5.152 13.762 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.851 -5.655 14.090 1.00 0.00 O ATOM 0 H GLU A 95 4.924 -2.847 10.579 1.00 0.00 H new ATOM 0 HA GLU A 95 3.138 -1.328 11.988 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.355 -3.251 12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.929 -2.268 13.949 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.651 -3.024 13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.752 -3.605 12.293 1.00 0.00 H new ATOM 1503 N PRO A 96 6.112 -0.165 12.690 1.00 0.00 N ATOM 1504 CA PRO A 96 6.831 1.039 13.164 1.00 0.00 C ATOM 1505 C PRO A 96 6.260 2.300 12.502 1.00 0.00 C ATOM 1506 O PRO A 96 6.145 3.340 13.119 1.00 0.00 O ATOM 1507 CB PRO A 96 8.266 0.788 12.711 1.00 0.00 C ATOM 1508 CG PRO A 96 8.399 -0.700 12.621 1.00 0.00 C ATOM 1509 CD PRO A 96 7.025 -1.266 12.371 1.00 0.00 C ATOM 0 HA PRO A 96 6.746 1.199 14.239 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.462 1.259 11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.981 1.204 13.421 1.00 0.00 H new ATOM 0 HG2 PRO A 96 9.079 -0.976 11.815 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.817 -1.104 13.543 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.911 -1.589 11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.833 -2.136 13.000 1.00 0.00 H new ATOM 1517 N GLY A 97 5.904 2.209 11.251 1.00 0.00 N ATOM 1518 CA GLY A 97 5.340 3.389 10.537 1.00 0.00 C ATOM 1519 C GLY A 97 4.508 2.905 9.346 1.00 0.00 C ATOM 1520 O GLY A 97 4.721 3.304 8.219 1.00 0.00 O ATOM 0 H GLY A 97 5.980 1.362 10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.720 3.977 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.144 4.040 10.194 1.00 0.00 H new ATOM 1524 N GLN A 98 3.578 2.027 9.582 1.00 0.00 N ATOM 1525 CA GLN A 98 2.753 1.494 8.460 1.00 0.00 C ATOM 1526 C GLN A 98 1.312 2.017 8.540 1.00 0.00 C ATOM 1527 O GLN A 98 0.787 2.256 9.610 1.00 0.00 O ATOM 1528 CB GLN A 98 2.803 -0.032 8.658 1.00 0.00 C ATOM 1529 CG GLN A 98 1.496 -0.698 8.209 1.00 0.00 C ATOM 1530 CD GLN A 98 1.510 -2.170 8.624 1.00 0.00 C ATOM 1531 OE1 GLN A 98 0.579 -2.650 9.240 1.00 0.00 O ATOM 1532 NE2 GLN A 98 2.537 -2.913 8.310 1.00 0.00 N ATOM 0 H GLN A 98 3.351 1.653 10.503 1.00 0.00 H new ATOM 0 HA GLN A 98 3.123 1.801 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.637 -0.447 8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.986 -0.258 9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.643 -0.190 8.658 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.384 -0.614 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.319 -2.510 7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.557 -3.896 8.582 1.00 0.00 H new ATOM 1541 N LEU A 99 0.661 2.176 7.414 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.754 2.658 7.436 1.00 0.00 C ATOM 1543 C LEU A 99 -1.669 1.614 6.793 1.00 0.00 C ATOM 1544 O LEU A 99 -1.300 0.466 6.623 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.792 3.955 6.620 1.00 0.00 C ATOM 1546 CG LEU A 99 0.539 4.691 6.729 1.00 0.00 C ATOM 1547 CD1 LEU A 99 1.419 4.294 5.549 1.00 0.00 C ATOM 1548 CD2 LEU A 99 0.293 6.202 6.700 1.00 0.00 C ATOM 0 H LEU A 99 1.045 1.994 6.487 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.096 2.826 8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.005 3.729 5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.599 4.594 6.979 1.00 0.00 H new ATOM 0 HG LEU A 99 1.033 4.427 7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.374 4.815 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.590 3.218 5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.923 4.566 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.245 6.727 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.195 6.473 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.346 6.483 7.537 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.855 2.009 6.428 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.805 1.051 5.792 1.00 0.00 C ATOM 1562 C LYS A 100 -4.676 1.773 4.761 1.00 0.00 C ATOM 1563 O LYS A 100 -4.909 2.962 4.854 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.662 0.525 6.939 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.499 -0.992 7.044 1.00 0.00 C ATOM 1566 CD LYS A 100 -5.126 -1.483 8.350 1.00 0.00 C ATOM 1567 CE LYS A 100 -4.073 -2.228 9.175 1.00 0.00 C ATOM 1568 NZ LYS A 100 -3.581 -1.227 10.162 1.00 0.00 N ATOM 0 H LYS A 100 -3.211 2.958 6.542 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.289 0.248 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.366 0.999 7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.709 0.778 6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.976 -1.479 6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.442 -1.258 7.013 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.517 -0.639 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.968 -2.141 8.136 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.504 -3.096 9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.262 -2.592 8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.855 -1.663 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.171 -0.415 9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.373 -0.903 10.753 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.159 1.064 3.778 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.016 1.710 2.743 1.00 0.00 C ATOM 1584 C LEU A 101 -7.200 0.802 2.396 1.00 0.00 C ATOM 1585 O LEU A 101 -7.035 -0.263 1.837 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.102 1.891 1.530 1.00 0.00 C ATOM 1587 CG LEU A 101 -3.955 2.835 1.895 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -2.618 2.123 1.682 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.017 4.078 1.005 1.00 0.00 C ATOM 0 H LEU A 101 -4.998 0.065 3.646 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.433 2.658 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.707 0.926 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.668 2.296 0.691 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.046 3.129 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.802 2.797 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.573 1.237 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.525 1.828 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.200 4.752 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.926 3.782 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.969 4.587 1.156 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.392 1.216 2.728 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.584 0.375 2.421 1.00 0.00 C ATOM 1603 C ASN A 102 -10.102 0.675 1.012 1.00 0.00 C ATOM 1604 O ASN A 102 -10.298 1.816 0.641 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.626 0.765 3.470 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.079 2.207 3.229 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -10.440 3.140 3.675 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.163 2.430 2.538 1.00 0.00 N ATOM 0 H ASN A 102 -8.592 2.099 3.198 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.353 -0.690 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.481 0.091 3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.204 0.668 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.474 3.387 2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.699 1.647 2.164 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.326 -0.342 0.226 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.833 -0.119 -1.158 1.00 0.00 C ATOM 1617 C TRP A 103 -11.993 -1.074 -1.453 1.00 0.00 C ATOM 1618 O TRP A 103 -12.009 -2.202 -1.003 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.643 -0.421 -2.069 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.918 0.110 -3.439 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.144 -0.650 -4.536 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.000 1.496 -3.879 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.360 0.182 -5.620 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.281 1.514 -5.265 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -9.858 2.728 -3.214 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.418 2.712 -5.969 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -9.996 3.936 -3.920 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.275 3.928 -5.294 1.00 0.00 C ATOM 0 H TRP A 103 -10.180 -1.318 0.482 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.209 0.893 -1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.738 0.034 -1.666 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.468 -1.496 -2.112 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.154 -1.730 -4.561 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.554 -0.148 -6.565 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.642 2.746 -2.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.633 2.699 -7.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -9.886 4.876 -3.400 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.379 4.860 -5.830 1.00 0.00 H new