USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 476 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 Single : A 14 HIS : no HE2:sc= 0.445 K(o=0.44,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -0.899 K(o=-0.9,f=-0.26) USER MOD Single : A 35 GLN : amide:sc= -0.633 K(o=-0.63,f=-3.1!) USER MOD Single : A 38 LYS NZ :NH3+ -147:sc= -0.443 (180deg=-1.86!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -145:sc= 0.572 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc=-0.000672 (180deg=-0.181) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -104:sc= -3.81! USER MOD Single : A 76 GLN : amide:sc= -0.0218 K(o=-0.022,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 225 N GLU A 13 -6.792 1.389 -5.998 1.00 0.00 N ATOM 226 CA GLU A 13 -6.051 1.079 -7.213 1.00 0.00 C ATOM 227 C GLU A 13 -4.634 0.631 -6.873 1.00 0.00 C ATOM 228 O GLU A 13 -3.934 1.293 -6.105 1.00 0.00 O ATOM 229 CB GLU A 13 -6.008 2.299 -8.137 1.00 0.00 C ATOM 230 CG GLU A 13 -6.182 1.956 -9.607 1.00 0.00 C ATOM 231 CD GLU A 13 -7.640 1.861 -10.015 1.00 0.00 C ATOM 232 OE1 GLU A 13 -8.416 2.774 -9.662 1.00 0.00 O ATOM 233 OE2 GLU A 13 -8.004 0.874 -10.687 1.00 0.00 O ATOM 0 HA GLU A 13 -6.561 0.265 -7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.791 2.997 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.056 2.813 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.687 2.714 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.687 1.007 -9.816 1.00 0.00 H new ATOM 240 N HIS A 14 -4.218 -0.500 -7.434 1.00 0.00 N ATOM 241 CA HIS A 14 -2.891 -1.038 -7.156 1.00 0.00 C ATOM 242 C HIS A 14 -1.984 -0.964 -8.380 1.00 0.00 C ATOM 243 O HIS A 14 -2.372 -1.342 -9.485 1.00 0.00 O ATOM 244 CB HIS A 14 -2.993 -2.488 -6.673 1.00 0.00 C ATOM 245 CG HIS A 14 -4.090 -3.269 -7.329 1.00 0.00 C ATOM 246 ND1 HIS A 14 -4.256 -3.333 -8.697 1.00 0.00 N ATOM 247 CD2 HIS A 14 -5.077 -4.026 -6.795 1.00 0.00 C ATOM 248 CE1 HIS A 14 -5.299 -4.094 -8.975 1.00 0.00 C ATOM 249 NE2 HIS A 14 -5.814 -4.526 -7.840 1.00 0.00 N ATOM 0 H HIS A 14 -4.776 -1.059 -8.080 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.449 -0.425 -6.371 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.043 -2.990 -6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.152 -2.491 -5.595 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.666 -2.866 -9.386 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.252 -4.203 -5.744 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.668 -4.324 -9.964 1.00 0.00 H new ATOM 258 N VAL A 15 -0.765 -0.485 -8.161 1.00 0.00 N ATOM 259 CA VAL A 15 0.236 -0.377 -9.219 1.00 0.00 C ATOM 260 C VAL A 15 1.570 -0.921 -8.721 1.00 0.00 C ATOM 261 O VAL A 15 1.851 -0.867 -7.530 1.00 0.00 O ATOM 262 CB VAL A 15 0.426 1.082 -9.685 1.00 0.00 C ATOM 263 CG1 VAL A 15 1.010 1.118 -11.089 1.00 0.00 C ATOM 264 CG2 VAL A 15 -0.888 1.848 -9.629 1.00 0.00 C ATOM 0 H VAL A 15 -0.442 -0.161 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.119 -0.960 -10.069 1.00 0.00 H new ATOM 0 HB VAL A 15 1.126 1.568 -9.006 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.138 2.154 -11.403 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.977 0.615 -11.094 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.334 0.611 -11.777 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.726 2.873 -9.962 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.618 1.366 -10.279 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.262 1.854 -8.605 1.00 0.00 H new ATOM 274 N ILE A 16 2.370 -1.490 -9.612 1.00 0.00 N ATOM 275 CA ILE A 16 3.649 -2.059 -9.202 1.00 0.00 C ATOM 276 C ILE A 16 4.826 -1.182 -9.620 1.00 0.00 C ATOM 277 O ILE A 16 5.145 -1.070 -10.804 1.00 0.00 O ATOM 278 CB ILE A 16 3.846 -3.483 -9.764 1.00 0.00 C ATOM 279 CG1 ILE A 16 2.757 -4.409 -9.230 1.00 0.00 C ATOM 280 CG2 ILE A 16 5.223 -4.022 -9.395 1.00 0.00 C ATOM 281 CD1 ILE A 16 2.947 -5.853 -9.635 1.00 0.00 C ATOM 0 H ILE A 16 2.163 -1.570 -10.607 1.00 0.00 H new ATOM 0 HA ILE A 16 3.623 -2.109 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 16 3.775 -3.440 -10.851 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.736 -4.344 -8.142 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.788 -4.063 -9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.341 -5.027 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.992 -3.370 -9.810 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.322 -4.055 -8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.138 -6.456 -9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.938 -5.930 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.901 -6.215 -9.253 1.00 0.00 H new ATOM 293 N LEU A 17 5.510 -0.623 -8.627 1.00 0.00 N ATOM 294 CA LEU A 17 6.681 0.198 -8.862 1.00 0.00 C ATOM 295 C LEU A 17 7.897 -0.636 -9.194 1.00 0.00 C ATOM 296 O LEU A 17 8.074 -1.733 -8.664 1.00 0.00 O ATOM 297 CB LEU A 17 7.049 0.959 -7.599 1.00 0.00 C ATOM 298 CG LEU A 17 6.209 2.169 -7.239 1.00 0.00 C ATOM 299 CD1 LEU A 17 6.677 3.394 -8.004 1.00 0.00 C ATOM 300 CD2 LEU A 17 4.747 1.911 -7.468 1.00 0.00 C ATOM 0 H LEU A 17 5.265 -0.729 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 17 6.425 0.859 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.009 0.261 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.085 1.285 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 17 6.341 2.363 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.061 4.251 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.718 3.602 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.589 3.210 -9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.174 2.799 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.579 1.675 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.425 1.072 -6.852 1.00 0.00 H new ATOM 312 N ASN A 18 8.804 -0.053 -9.957 1.00 0.00 N ATOM 313 CA ASN A 18 10.110 -0.640 -10.128 1.00 0.00 C ATOM 314 C ASN A 18 10.951 -0.164 -8.952 1.00 0.00 C ATOM 315 O ASN A 18 10.776 0.962 -8.489 1.00 0.00 O ATOM 316 CB ASN A 18 10.740 -0.221 -11.456 1.00 0.00 C ATOM 317 CG ASN A 18 9.753 -0.269 -12.605 1.00 0.00 C ATOM 318 OD1 ASN A 18 8.892 -1.146 -12.663 1.00 0.00 O ATOM 319 ND2 ASN A 18 9.873 0.678 -13.527 1.00 0.00 N ATOM 0 H ASN A 18 8.657 0.820 -10.463 1.00 0.00 H new ATOM 0 HA ASN A 18 10.045 -1.728 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.137 0.790 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.583 -0.875 -11.677 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.236 0.698 -14.324 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.602 1.386 -13.439 1.00 0.00 H new ATOM 326 N GLU A 19 11.804 -1.025 -8.417 1.00 0.00 N ATOM 327 CA GLU A 19 12.572 -0.676 -7.221 1.00 0.00 C ATOM 328 C GLU A 19 13.157 0.731 -7.318 1.00 0.00 C ATOM 329 O GLU A 19 13.119 1.490 -6.351 1.00 0.00 O ATOM 330 CB GLU A 19 13.683 -1.700 -6.992 1.00 0.00 C ATOM 331 CG GLU A 19 14.305 -1.626 -5.606 1.00 0.00 C ATOM 332 CD GLU A 19 15.792 -1.332 -5.650 1.00 0.00 C ATOM 333 OE1 GLU A 19 16.272 -0.857 -6.700 1.00 0.00 O ATOM 334 OE2 GLU A 19 16.475 -1.578 -4.634 1.00 0.00 O ATOM 0 H GLU A 19 11.984 -1.960 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 19 11.891 -0.691 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.280 -2.701 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.463 -1.551 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.802 -0.852 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.140 -2.570 -5.087 1.00 0.00 H new ATOM 341 N SER A 20 13.625 1.102 -8.503 1.00 0.00 N ATOM 342 CA SER A 20 14.154 2.443 -8.715 1.00 0.00 C ATOM 343 C SER A 20 13.024 3.470 -8.659 1.00 0.00 C ATOM 344 O SER A 20 13.129 4.493 -7.977 1.00 0.00 O ATOM 345 CB SER A 20 14.874 2.526 -10.061 1.00 0.00 C ATOM 346 OG SER A 20 15.113 3.873 -10.431 1.00 0.00 O ATOM 0 H SER A 20 13.649 0.499 -9.325 1.00 0.00 H new ATOM 0 HA SER A 20 14.870 2.663 -7.923 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.820 1.988 -10.004 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.274 2.036 -10.828 1.00 0.00 H new ATOM 0 HG SER A 20 15.576 3.898 -11.294 1.00 0.00 H new ATOM 352 N GLU A 21 11.932 3.172 -9.359 1.00 0.00 N ATOM 353 CA GLU A 21 10.776 4.053 -9.391 1.00 0.00 C ATOM 354 C GLU A 21 10.162 4.207 -8.007 1.00 0.00 C ATOM 355 O GLU A 21 9.913 5.316 -7.549 1.00 0.00 O ATOM 356 CB GLU A 21 9.724 3.500 -10.348 1.00 0.00 C ATOM 357 CG GLU A 21 9.097 4.558 -11.234 1.00 0.00 C ATOM 358 CD GLU A 21 8.488 3.978 -12.495 1.00 0.00 C ATOM 359 OE1 GLU A 21 7.362 3.443 -12.420 1.00 0.00 O ATOM 360 OE2 GLU A 21 9.138 4.058 -13.559 1.00 0.00 O ATOM 0 H GLU A 21 11.827 2.322 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 21 11.112 5.031 -9.734 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.182 2.736 -10.976 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.940 3.010 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.326 5.086 -10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.854 5.294 -11.506 1.00 0.00 H new ATOM 367 N ALA A 22 9.901 3.086 -7.353 1.00 0.00 N ATOM 368 CA ALA A 22 9.301 3.109 -6.027 1.00 0.00 C ATOM 369 C ALA A 22 10.220 3.807 -5.035 1.00 0.00 C ATOM 370 O ALA A 22 9.765 4.405 -4.059 1.00 0.00 O ATOM 371 CB ALA A 22 9.009 1.697 -5.560 1.00 0.00 C ATOM 0 H ALA A 22 10.094 2.153 -7.716 1.00 0.00 H new ATOM 0 HA ALA A 22 8.365 3.665 -6.083 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.560 1.728 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.319 1.219 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.937 1.127 -5.521 1.00 0.00 H new ATOM 377 N LYS A 23 11.520 3.706 -5.286 1.00 0.00 N ATOM 378 CA LYS A 23 12.520 4.299 -4.411 1.00 0.00 C ATOM 379 C LYS A 23 12.351 5.809 -4.319 1.00 0.00 C ATOM 380 O LYS A 23 12.239 6.358 -3.222 1.00 0.00 O ATOM 381 CB LYS A 23 13.925 3.951 -4.902 1.00 0.00 C ATOM 382 CG LYS A 23 14.533 2.762 -4.178 1.00 0.00 C ATOM 383 CD LYS A 23 15.430 1.944 -5.093 1.00 0.00 C ATOM 384 CE LYS A 23 16.787 1.687 -4.458 1.00 0.00 C ATOM 385 NZ LYS A 23 17.762 2.768 -4.772 1.00 0.00 N ATOM 0 H LYS A 23 11.906 3.216 -6.093 1.00 0.00 H new ATOM 0 HA LYS A 23 12.380 3.886 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.887 3.738 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.573 4.818 -4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.110 3.113 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.737 2.128 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.948 0.993 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.563 2.470 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.672 1.605 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.178 0.732 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.674 2.555 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.892 2.830 -5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.402 3.675 -4.413 1.00 0.00 H new ATOM 399 N ARG A 24 12.324 6.483 -5.464 1.00 0.00 N ATOM 400 CA ARG A 24 12.157 7.931 -5.469 1.00 0.00 C ATOM 401 C ARG A 24 10.807 8.316 -4.890 1.00 0.00 C ATOM 402 O ARG A 24 10.699 9.285 -4.149 1.00 0.00 O ATOM 403 CB ARG A 24 12.278 8.504 -6.878 1.00 0.00 C ATOM 404 CG ARG A 24 11.607 7.661 -7.932 1.00 0.00 C ATOM 405 CD ARG A 24 11.370 8.452 -9.206 1.00 0.00 C ATOM 406 NE ARG A 24 10.236 7.936 -9.966 1.00 0.00 N ATOM 407 CZ ARG A 24 8.969 8.216 -9.676 1.00 0.00 C ATOM 408 NH1 ARG A 24 8.680 9.003 -8.649 1.00 0.00 N ATOM 409 NH2 ARG A 24 7.990 7.709 -10.414 1.00 0.00 N ATOM 0 H ARG A 24 12.414 6.058 -6.387 1.00 0.00 H new ATOM 0 HA ARG A 24 12.953 8.348 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.844 9.504 -6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.333 8.611 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.225 6.791 -8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.656 7.288 -7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.193 9.498 -8.956 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.266 8.420 -9.825 1.00 0.00 H new ATOM 0 HE ARG A 24 10.426 7.328 -10.763 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.430 9.395 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.707 9.217 -8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.209 7.103 -11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.019 7.925 -10.190 1.00 0.00 H new ATOM 423 N VAL A 25 9.775 7.564 -5.253 1.00 0.00 N ATOM 424 CA VAL A 25 8.428 7.846 -4.781 1.00 0.00 C ATOM 425 C VAL A 25 8.362 7.782 -3.261 1.00 0.00 C ATOM 426 O VAL A 25 7.936 8.735 -2.606 1.00 0.00 O ATOM 427 CB VAL A 25 7.400 6.862 -5.369 1.00 0.00 C ATOM 428 CG1 VAL A 25 5.988 7.382 -5.158 1.00 0.00 C ATOM 429 CG2 VAL A 25 7.666 6.620 -6.848 1.00 0.00 C ATOM 0 H VAL A 25 9.846 6.756 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 25 8.181 8.853 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 25 7.501 5.910 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.273 6.675 -5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.798 7.497 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.878 8.347 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.927 5.922 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.597 7.564 -7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.664 6.201 -6.974 1.00 0.00 H new ATOM 439 N LEU A 26 8.805 6.660 -2.704 1.00 0.00 N ATOM 440 CA LEU A 26 8.817 6.474 -1.261 1.00 0.00 C ATOM 441 C LEU A 26 9.479 7.659 -0.572 1.00 0.00 C ATOM 442 O LEU A 26 8.915 8.251 0.349 1.00 0.00 O ATOM 443 CB LEU A 26 9.550 5.181 -0.906 1.00 0.00 C ATOM 444 CG LEU A 26 8.729 4.187 -0.087 1.00 0.00 C ATOM 445 CD1 LEU A 26 9.195 2.766 -0.342 1.00 0.00 C ATOM 446 CD2 LEU A 26 8.822 4.520 1.389 1.00 0.00 C ATOM 0 H LEU A 26 9.161 5.864 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 26 7.787 6.406 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.869 4.695 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.453 5.432 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 26 7.687 4.263 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.597 2.075 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.080 2.530 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.244 2.671 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.232 3.804 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.863 4.470 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.438 5.526 1.560 1.00 0.00 H new ATOM 458 N LYS A 27 10.674 8.015 -1.035 1.00 0.00 N ATOM 459 CA LYS A 27 11.397 9.149 -0.478 1.00 0.00 C ATOM 460 C LYS A 27 10.690 10.449 -0.835 1.00 0.00 C ATOM 461 O LYS A 27 10.631 11.384 -0.035 1.00 0.00 O ATOM 462 CB LYS A 27 12.837 9.174 -0.995 1.00 0.00 C ATOM 463 CG LYS A 27 13.549 7.836 -0.881 1.00 0.00 C ATOM 464 CD LYS A 27 13.943 7.536 0.555 1.00 0.00 C ATOM 465 CE LYS A 27 15.174 6.646 0.621 1.00 0.00 C ATOM 466 NZ LYS A 27 16.434 7.436 0.556 1.00 0.00 N ATOM 0 H LYS A 27 11.159 7.535 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 27 11.420 9.045 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.834 9.486 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.400 9.924 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.900 7.044 -1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.439 7.841 -1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.139 8.470 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.113 7.049 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.155 6.068 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.150 5.932 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.250 6.793 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.464 7.968 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.469 8.100 1.356 1.00 0.00 H new ATOM 480 N GLU A 28 10.144 10.490 -2.044 1.00 0.00 N ATOM 481 CA GLU A 28 9.406 11.650 -2.523 1.00 0.00 C ATOM 482 C GLU A 28 8.210 11.917 -1.619 1.00 0.00 C ATOM 483 O GLU A 28 7.902 13.063 -1.289 1.00 0.00 O ATOM 484 CB GLU A 28 8.930 11.402 -3.956 1.00 0.00 C ATOM 485 CG GLU A 28 9.986 11.684 -5.016 1.00 0.00 C ATOM 486 CD GLU A 28 9.619 12.851 -5.912 1.00 0.00 C ATOM 487 OE1 GLU A 28 9.645 14.002 -5.428 1.00 0.00 O ATOM 488 OE2 GLU A 28 9.307 12.614 -7.097 1.00 0.00 O ATOM 0 H GLU A 28 10.200 9.725 -2.716 1.00 0.00 H new ATOM 0 HA GLU A 28 10.061 12.521 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.607 10.365 -4.046 1.00 0.00 H new ATOM 0 HB3 GLU A 28 8.058 12.026 -4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.938 11.891 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.128 10.793 -5.627 1.00 0.00 H new ATOM 495 N LEU A 29 7.551 10.839 -1.217 1.00 0.00 N ATOM 496 CA LEU A 29 6.392 10.917 -0.338 1.00 0.00 C ATOM 497 C LEU A 29 6.783 11.316 1.085 1.00 0.00 C ATOM 498 O LEU A 29 5.917 11.558 1.926 1.00 0.00 O ATOM 499 CB LEU A 29 5.683 9.571 -0.314 1.00 0.00 C ATOM 500 CG LEU A 29 4.645 9.380 -1.417 1.00 0.00 C ATOM 501 CD1 LEU A 29 5.309 9.406 -2.785 1.00 0.00 C ATOM 502 CD2 LEU A 29 3.892 8.081 -1.209 1.00 0.00 C ATOM 0 H LEU A 29 7.803 9.889 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 29 5.726 11.687 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.429 8.781 -0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.194 9.450 0.652 1.00 0.00 H new ATOM 0 HG LEU A 29 3.932 10.203 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.554 9.268 -3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.806 10.365 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.044 8.603 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.155 7.957 -2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.593 7.247 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.386 8.104 -0.244 1.00 0.00 H new ATOM 514 N ASP A 30 8.092 11.376 1.352 1.00 0.00 N ATOM 515 CA ASP A 30 8.610 11.728 2.677 1.00 0.00 C ATOM 516 C ASP A 30 8.647 10.505 3.587 1.00 0.00 C ATOM 517 O ASP A 30 8.328 10.590 4.773 1.00 0.00 O ATOM 518 CB ASP A 30 7.778 12.842 3.323 1.00 0.00 C ATOM 519 CG ASP A 30 8.520 13.543 4.445 1.00 0.00 C ATOM 520 OD1 ASP A 30 9.636 14.045 4.196 1.00 0.00 O ATOM 521 OD2 ASP A 30 7.985 13.588 5.574 1.00 0.00 O ATOM 0 H ASP A 30 8.817 11.183 0.661 1.00 0.00 H new ATOM 0 HA ASP A 30 9.627 12.096 2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.501 13.572 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.851 12.420 3.712 1.00 0.00 H new ATOM 526 N ALA A 31 9.054 9.372 3.024 1.00 0.00 N ATOM 527 CA ALA A 31 9.157 8.131 3.782 1.00 0.00 C ATOM 528 C ALA A 31 10.116 7.162 3.105 1.00 0.00 C ATOM 529 O ALA A 31 10.500 7.355 1.951 1.00 0.00 O ATOM 530 CB ALA A 31 7.790 7.483 3.946 1.00 0.00 C ATOM 0 H ALA A 31 9.319 9.288 2.042 1.00 0.00 H new ATOM 0 HA ALA A 31 9.548 8.374 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.891 6.559 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.126 8.165 4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.372 7.261 2.964 1.00 0.00 H new ATOM 536 N HIS A 32 10.495 6.117 3.827 1.00 0.00 N ATOM 537 CA HIS A 32 11.395 5.106 3.293 1.00 0.00 C ATOM 538 C HIS A 32 10.803 3.718 3.482 1.00 0.00 C ATOM 539 O HIS A 32 10.006 3.495 4.393 1.00 0.00 O ATOM 540 CB HIS A 32 12.771 5.181 3.961 1.00 0.00 C ATOM 541 CG HIS A 32 13.123 6.534 4.507 1.00 0.00 C ATOM 542 ND1 HIS A 32 13.360 6.767 5.846 1.00 0.00 N ATOM 543 CD2 HIS A 32 13.277 7.728 3.886 1.00 0.00 C ATOM 544 CE1 HIS A 32 13.645 8.044 6.025 1.00 0.00 C ATOM 545 NE2 HIS A 32 13.601 8.648 4.853 1.00 0.00 N ATOM 0 H HIS A 32 10.192 5.947 4.786 1.00 0.00 H new ATOM 0 HA HIS A 32 11.521 5.300 2.228 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.807 4.455 4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.530 4.887 3.236 1.00 0.00 H new ATOM 0 HD1 HIS A 32 13.321 6.063 6.583 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.166 7.920 2.829 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.875 8.514 6.970 1.00 0.00 H new ATOM 554 N PRO A 33 11.151 2.774 2.598 1.00 0.00 N ATOM 555 CA PRO A 33 10.642 1.408 2.671 1.00 0.00 C ATOM 556 C PRO A 33 10.836 0.808 4.059 1.00 0.00 C ATOM 557 O PRO A 33 10.003 0.035 4.532 1.00 0.00 O ATOM 558 CB PRO A 33 11.459 0.653 1.614 1.00 0.00 C ATOM 559 CG PRO A 33 12.602 1.549 1.283 1.00 0.00 C ATOM 560 CD PRO A 33 12.089 2.943 1.484 1.00 0.00 C ATOM 0 HA PRO A 33 9.569 1.354 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.809 -0.305 1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.857 0.441 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.457 1.349 1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.935 1.398 0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.891 3.640 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.595 3.327 0.591 1.00 0.00 H new ATOM 568 N GLU A 34 11.920 1.197 4.725 1.00 0.00 N ATOM 569 CA GLU A 34 12.176 0.743 6.086 1.00 0.00 C ATOM 570 C GLU A 34 11.035 1.180 6.988 1.00 0.00 C ATOM 571 O GLU A 34 10.589 0.439 7.864 1.00 0.00 O ATOM 572 CB GLU A 34 13.491 1.321 6.611 1.00 0.00 C ATOM 573 CG GLU A 34 13.700 2.786 6.268 1.00 0.00 C ATOM 574 CD GLU A 34 14.857 3.402 7.029 1.00 0.00 C ATOM 575 OE1 GLU A 34 15.922 2.757 7.116 1.00 0.00 O ATOM 576 OE2 GLU A 34 14.699 4.532 7.537 1.00 0.00 O ATOM 0 H GLU A 34 12.631 1.822 4.346 1.00 0.00 H new ATOM 0 HA GLU A 34 12.251 -0.344 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.521 1.204 7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.319 0.741 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.881 2.883 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.788 3.341 6.488 1.00 0.00 H new ATOM 583 N GLN A 35 10.562 2.393 6.743 1.00 0.00 N ATOM 584 CA GLN A 35 9.446 2.956 7.481 1.00 0.00 C ATOM 585 C GLN A 35 8.146 2.369 6.966 1.00 0.00 C ATOM 586 O GLN A 35 7.323 1.860 7.726 1.00 0.00 O ATOM 587 CB GLN A 35 9.444 4.471 7.309 1.00 0.00 C ATOM 588 CG GLN A 35 10.155 5.208 8.426 1.00 0.00 C ATOM 589 CD GLN A 35 9.457 5.062 9.763 1.00 0.00 C ATOM 590 OE1 GLN A 35 8.484 4.320 9.892 1.00 0.00 O ATOM 591 NE2 GLN A 35 9.955 5.772 10.769 1.00 0.00 N ATOM 0 H GLN A 35 10.942 3.013 6.027 1.00 0.00 H new ATOM 0 HA GLN A 35 9.545 2.715 8.539 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.918 4.721 6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.413 4.821 7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.175 4.833 8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.224 6.265 8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.764 6.375 10.617 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.529 5.714 11.694 1.00 0.00 H new ATOM 600 N LEU A 36 8.000 2.422 5.655 1.00 0.00 N ATOM 601 CA LEU A 36 6.840 1.859 4.981 1.00 0.00 C ATOM 602 C LEU A 36 6.655 0.397 5.374 1.00 0.00 C ATOM 603 O LEU A 36 7.627 -0.299 5.665 1.00 0.00 O ATOM 604 CB LEU A 36 7.024 1.968 3.467 1.00 0.00 C ATOM 605 CG LEU A 36 5.826 2.502 2.698 1.00 0.00 C ATOM 606 CD1 LEU A 36 5.308 3.757 3.356 1.00 0.00 C ATOM 607 CD2 LEU A 36 6.202 2.767 1.250 1.00 0.00 C ATOM 0 H LEU A 36 8.678 2.854 5.028 1.00 0.00 H new ATOM 0 HA LEU A 36 5.953 2.417 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.879 2.615 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.273 0.981 3.077 1.00 0.00 H new ATOM 0 HG LEU A 36 5.034 1.753 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.450 4.133 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.006 3.533 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.093 4.513 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.334 3.149 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.005 3.503 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.537 1.840 0.786 1.00 0.00 H new ATOM 619 N PRO A 37 5.406 -0.090 5.397 1.00 0.00 N ATOM 620 CA PRO A 37 5.119 -1.479 5.733 1.00 0.00 C ATOM 621 C PRO A 37 5.592 -2.434 4.646 1.00 0.00 C ATOM 622 O PRO A 37 5.602 -2.090 3.464 1.00 0.00 O ATOM 623 CB PRO A 37 3.595 -1.544 5.851 1.00 0.00 C ATOM 624 CG PRO A 37 3.091 -0.149 5.688 1.00 0.00 C ATOM 625 CD PRO A 37 4.190 0.654 5.051 1.00 0.00 C ATOM 0 HA PRO A 37 5.633 -1.777 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.176 -2.199 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.299 -1.952 6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.195 -0.135 5.067 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.816 0.275 6.654 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.059 0.728 3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.219 1.672 5.439 1.00 0.00 H new ATOM 633 N LYS A 38 5.965 -3.638 5.050 1.00 0.00 N ATOM 634 CA LYS A 38 6.401 -4.653 4.104 1.00 0.00 C ATOM 635 C LYS A 38 5.572 -5.916 4.272 1.00 0.00 C ATOM 636 O LYS A 38 5.502 -6.485 5.361 1.00 0.00 O ATOM 637 CB LYS A 38 7.888 -4.970 4.296 1.00 0.00 C ATOM 638 CG LYS A 38 8.715 -3.786 4.776 1.00 0.00 C ATOM 639 CD LYS A 38 9.034 -2.830 3.638 1.00 0.00 C ATOM 640 CE LYS A 38 10.501 -2.898 3.249 1.00 0.00 C ATOM 641 NZ LYS A 38 11.394 -2.868 4.440 1.00 0.00 N ATOM 0 H LYS A 38 5.975 -3.936 6.025 1.00 0.00 H new ATOM 0 HA LYS A 38 6.258 -4.266 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.986 -5.784 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.298 -5.328 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.172 -3.255 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.643 -4.146 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.416 -3.072 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.782 -1.812 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.684 -3.810 2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.742 -2.061 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.277 -2.374 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.918 -2.368 5.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.611 -3.841 4.736 1.00 0.00 H new ATOM 655 N ILE A 39 4.942 -6.351 3.188 1.00 0.00 N ATOM 656 CA ILE A 39 4.109 -7.538 3.227 1.00 0.00 C ATOM 657 C ILE A 39 4.784 -8.712 2.532 1.00 0.00 C ATOM 658 O ILE A 39 5.227 -8.608 1.389 1.00 0.00 O ATOM 659 CB ILE A 39 2.729 -7.283 2.627 1.00 0.00 C ATOM 660 CG1 ILE A 39 2.161 -5.973 3.166 1.00 0.00 C ATOM 661 CG2 ILE A 39 1.806 -8.435 2.965 1.00 0.00 C ATOM 662 CD1 ILE A 39 2.142 -5.914 4.678 1.00 0.00 C ATOM 0 H ILE A 39 4.994 -5.899 2.275 1.00 0.00 H new ATOM 0 HA ILE A 39 3.973 -7.795 4.278 1.00 0.00 H new ATOM 0 HB ILE A 39 2.816 -7.205 1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.753 -5.142 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.146 -5.841 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.821 -8.250 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.213 -9.360 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.718 -8.525 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.727 -4.959 5.000 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.527 -6.726 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.158 -6.015 5.059 1.00 0.00 H new ATOM 674 N LYS A 40 4.889 -9.818 3.259 1.00 0.00 N ATOM 675 CA LYS A 40 5.557 -11.013 2.764 1.00 0.00 C ATOM 676 C LYS A 40 4.981 -11.483 1.439 1.00 0.00 C ATOM 677 O LYS A 40 3.783 -11.357 1.187 1.00 0.00 O ATOM 678 CB LYS A 40 5.445 -12.135 3.793 1.00 0.00 C ATOM 679 CG LYS A 40 6.001 -11.761 5.152 1.00 0.00 C ATOM 680 CD LYS A 40 7.523 -11.754 5.144 1.00 0.00 C ATOM 681 CE LYS A 40 8.088 -12.828 6.059 1.00 0.00 C ATOM 682 NZ LYS A 40 8.069 -12.408 7.487 1.00 0.00 N ATOM 0 H LYS A 40 4.515 -9.911 4.203 1.00 0.00 H new ATOM 0 HA LYS A 40 6.604 -10.756 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.397 -12.415 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.973 -13.013 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.632 -10.776 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.642 -12.467 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.884 -11.913 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.885 -10.776 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.510 -13.745 5.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.111 -13.057 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.462 -13.168 8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.641 -11.548 7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.090 -12.214 7.779 1.00 0.00 H new ATOM 696 N THR A 41 5.842 -12.063 0.609 1.00 0.00 N ATOM 697 CA THR A 41 5.418 -12.600 -0.674 1.00 0.00 C ATOM 698 C THR A 41 4.453 -13.770 -0.473 1.00 0.00 C ATOM 699 O THR A 41 3.713 -14.140 -1.384 1.00 0.00 O ATOM 700 CB THR A 41 6.632 -13.040 -1.494 1.00 0.00 C ATOM 701 OG1 THR A 41 7.418 -13.969 -0.768 1.00 0.00 O ATOM 702 CG2 THR A 41 7.527 -11.889 -1.897 1.00 0.00 C ATOM 0 H THR A 41 6.837 -12.172 0.804 1.00 0.00 H new ATOM 0 HA THR A 41 4.896 -11.816 -1.222 1.00 0.00 H new ATOM 0 HB THR A 41 6.225 -13.494 -2.397 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.365 -13.834 -0.981 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.369 -12.268 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.960 -11.182 -2.502 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.898 -11.386 -1.004 1.00 0.00 H new ATOM 710 N THR A 42 4.455 -14.343 0.732 1.00 0.00 N ATOM 711 CA THR A 42 3.541 -15.428 1.058 1.00 0.00 C ATOM 712 C THR A 42 2.135 -14.873 1.244 1.00 0.00 C ATOM 713 O THR A 42 1.144 -15.516 0.898 1.00 0.00 O ATOM 714 CB THR A 42 3.996 -16.148 2.329 1.00 0.00 C ATOM 715 OG1 THR A 42 3.980 -15.264 3.437 1.00 0.00 O ATOM 716 CG2 THR A 42 5.390 -16.728 2.223 1.00 0.00 C ATOM 0 H THR A 42 5.078 -14.072 1.492 1.00 0.00 H new ATOM 0 HA THR A 42 3.539 -16.147 0.238 1.00 0.00 H new ATOM 0 HB THR A 42 3.290 -16.967 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.272 -15.742 4.241 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.650 -17.224 3.158 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.422 -17.451 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.103 -15.927 2.027 1.00 0.00 H new ATOM 724 N ASP A 43 2.069 -13.648 1.756 1.00 0.00 N ATOM 725 CA ASP A 43 0.801 -12.958 1.958 1.00 0.00 C ATOM 726 C ASP A 43 0.210 -12.546 0.618 1.00 0.00 C ATOM 727 O ASP A 43 0.931 -12.371 -0.364 1.00 0.00 O ATOM 728 CB ASP A 43 1.008 -11.744 2.884 1.00 0.00 C ATOM 729 CG ASP A 43 -0.059 -10.667 2.785 1.00 0.00 C ATOM 730 OD1 ASP A 43 -0.057 -9.916 1.798 1.00 0.00 O ATOM 731 OD2 ASP A 43 -0.896 -10.579 3.709 1.00 0.00 O ATOM 0 H ASP A 43 2.887 -13.109 2.041 1.00 0.00 H new ATOM 0 HA ASP A 43 0.092 -13.632 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.052 -12.096 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.976 -11.296 2.659 1.00 0.00 H new ATOM 736 N PRO A 44 -1.124 -12.428 0.552 1.00 0.00 N ATOM 737 CA PRO A 44 -1.837 -12.045 -0.672 1.00 0.00 C ATOM 738 C PRO A 44 -1.207 -10.846 -1.369 1.00 0.00 C ATOM 739 O PRO A 44 -1.391 -10.652 -2.570 1.00 0.00 O ATOM 740 CB PRO A 44 -3.255 -11.713 -0.186 1.00 0.00 C ATOM 741 CG PRO A 44 -3.168 -11.685 1.304 1.00 0.00 C ATOM 742 CD PRO A 44 -2.052 -12.619 1.672 1.00 0.00 C ATOM 0 HA PRO A 44 -1.811 -12.841 -1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.590 -10.753 -0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.971 -12.462 -0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.967 -10.676 1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.108 -12.003 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.599 -12.359 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.392 -13.652 1.751 1.00 0.00 H new ATOM 750 N VAL A 45 -0.385 -10.101 -0.639 1.00 0.00 N ATOM 751 CA VAL A 45 0.281 -8.940 -1.197 1.00 0.00 C ATOM 752 C VAL A 45 0.979 -9.305 -2.504 1.00 0.00 C ATOM 753 O VAL A 45 0.861 -8.597 -3.505 1.00 0.00 O ATOM 754 CB VAL A 45 1.327 -8.355 -0.210 1.00 0.00 C ATOM 755 CG1 VAL A 45 2.514 -9.297 -0.052 1.00 0.00 C ATOM 756 CG2 VAL A 45 1.786 -6.980 -0.673 1.00 0.00 C ATOM 0 H VAL A 45 -0.167 -10.284 0.340 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.483 -8.186 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 45 0.852 -8.248 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.232 -8.864 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.168 -10.256 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.992 -9.446 -1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.519 -6.585 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.239 -7.061 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.930 -6.307 -0.720 1.00 0.00 H new ATOM 766 N ALA A 46 1.701 -10.421 -2.483 1.00 0.00 N ATOM 767 CA ALA A 46 2.391 -10.908 -3.669 1.00 0.00 C ATOM 768 C ALA A 46 1.392 -11.457 -4.679 1.00 0.00 C ATOM 769 O ALA A 46 1.438 -11.116 -5.861 1.00 0.00 O ATOM 770 CB ALA A 46 3.409 -11.968 -3.289 1.00 0.00 C ATOM 0 H ALA A 46 1.823 -11.005 -1.656 1.00 0.00 H new ATOM 0 HA ALA A 46 2.920 -10.074 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.917 -12.323 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.140 -11.541 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.902 -12.803 -2.805 1.00 0.00 H new ATOM 776 N LYS A 47 0.477 -12.300 -4.201 1.00 0.00 N ATOM 777 CA LYS A 47 -0.558 -12.870 -5.057 1.00 0.00 C ATOM 778 C LYS A 47 -1.270 -11.759 -5.816 1.00 0.00 C ATOM 779 O LYS A 47 -1.694 -11.938 -6.958 1.00 0.00 O ATOM 780 CB LYS A 47 -1.564 -13.669 -4.224 1.00 0.00 C ATOM 781 CG LYS A 47 -0.958 -14.880 -3.534 1.00 0.00 C ATOM 782 CD LYS A 47 -1.956 -16.021 -3.435 1.00 0.00 C ATOM 783 CE LYS A 47 -2.417 -16.238 -2.002 1.00 0.00 C ATOM 784 NZ LYS A 47 -3.499 -17.257 -1.915 1.00 0.00 N ATOM 0 H LYS A 47 0.433 -12.602 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.089 -13.546 -5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.001 -13.013 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.377 -13.999 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.078 -15.212 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.622 -14.601 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.818 -15.807 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.502 -16.936 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.571 -16.554 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.773 -15.294 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.785 -17.376 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.317 -16.944 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.152 -18.164 -2.286 1.00 0.00 H new ATOM 798 N ALA A 48 -1.379 -10.604 -5.169 1.00 0.00 N ATOM 799 CA ALA A 48 -1.988 -9.437 -5.779 1.00 0.00 C ATOM 800 C ALA A 48 -1.035 -8.823 -6.794 1.00 0.00 C ATOM 801 O ALA A 48 0.177 -8.810 -6.589 1.00 0.00 O ATOM 802 CB ALA A 48 -2.366 -8.421 -4.715 1.00 0.00 C ATOM 0 H ALA A 48 -1.050 -10.455 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.897 -9.743 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.822 -7.551 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.076 -8.869 -4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.472 -8.112 -4.173 1.00 0.00 H new ATOM 808 N ILE A 49 -1.587 -8.344 -7.902 1.00 0.00 N ATOM 809 CA ILE A 49 -0.786 -7.748 -8.973 1.00 0.00 C ATOM 810 C ILE A 49 0.462 -8.581 -9.274 1.00 0.00 C ATOM 811 O ILE A 49 1.468 -8.058 -9.751 1.00 0.00 O ATOM 812 CB ILE A 49 -0.370 -6.296 -8.651 1.00 0.00 C ATOM 813 CG1 ILE A 49 0.604 -6.248 -7.457 1.00 0.00 C ATOM 814 CG2 ILE A 49 -1.604 -5.436 -8.398 1.00 0.00 C ATOM 815 CD1 ILE A 49 -0.061 -6.180 -6.095 1.00 0.00 C ATOM 0 H ILE A 49 -2.590 -8.355 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.425 -7.735 -9.856 1.00 0.00 H new ATOM 0 HB ILE A 49 0.157 -5.889 -9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.241 -7.132 -7.491 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.255 -5.381 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.296 -4.415 -8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.236 -5.436 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.163 -5.841 -7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.703 -6.150 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.676 -5.282 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.689 -7.060 -5.952 1.00 0.00 H new ATOM 827 N GLY A 50 0.388 -9.882 -9.000 1.00 0.00 N ATOM 828 CA GLY A 50 1.508 -10.774 -9.262 1.00 0.00 C ATOM 829 C GLY A 50 2.854 -10.179 -8.890 1.00 0.00 C ATOM 830 O GLY A 50 3.833 -10.345 -9.618 1.00 0.00 O ATOM 0 H GLY A 50 -0.432 -10.337 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.363 -11.700 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.515 -11.035 -10.320 1.00 0.00 H new ATOM 834 N ALA A 51 2.912 -9.493 -7.752 1.00 0.00 N ATOM 835 CA ALA A 51 4.160 -8.886 -7.297 1.00 0.00 C ATOM 836 C ALA A 51 5.193 -9.950 -6.961 1.00 0.00 C ATOM 837 O ALA A 51 4.854 -11.103 -6.700 1.00 0.00 O ATOM 838 CB ALA A 51 3.925 -7.990 -6.089 1.00 0.00 C ATOM 0 H ALA A 51 2.116 -9.344 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 51 4.543 -8.274 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.871 -7.551 -5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.228 -7.195 -6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.507 -8.581 -5.274 1.00 0.00 H new ATOM 844 N LYS A 52 6.455 -9.548 -6.961 1.00 0.00 N ATOM 845 CA LYS A 52 7.544 -10.459 -6.649 1.00 0.00 C ATOM 846 C LYS A 52 8.442 -9.877 -5.564 1.00 0.00 C ATOM 847 O LYS A 52 8.398 -8.680 -5.281 1.00 0.00 O ATOM 848 CB LYS A 52 8.355 -10.775 -7.907 1.00 0.00 C ATOM 849 CG LYS A 52 9.324 -9.678 -8.319 1.00 0.00 C ATOM 850 CD LYS A 52 10.312 -10.173 -9.361 1.00 0.00 C ATOM 851 CE LYS A 52 10.401 -9.221 -10.543 1.00 0.00 C ATOM 852 NZ LYS A 52 11.796 -9.088 -11.047 1.00 0.00 N ATOM 0 H LYS A 52 6.750 -8.595 -7.174 1.00 0.00 H new ATOM 0 HA LYS A 52 7.115 -11.388 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.915 -11.695 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.667 -10.964 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.767 -8.830 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.865 -9.321 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.297 -10.283 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.010 -11.160 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.758 -9.579 -11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.027 -8.241 -10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.813 -8.430 -11.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.406 -8.722 -10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.145 -10.019 -11.353 1.00 0.00 H new ATOM 866 N ARG A 53 9.233 -10.739 -4.942 1.00 0.00 N ATOM 867 CA ARG A 53 10.137 -10.315 -3.882 1.00 0.00 C ATOM 868 C ARG A 53 11.042 -9.184 -4.360 1.00 0.00 C ATOM 869 O ARG A 53 12.018 -9.416 -5.073 1.00 0.00 O ATOM 870 CB ARG A 53 10.982 -11.497 -3.408 1.00 0.00 C ATOM 871 CG ARG A 53 11.264 -11.486 -1.915 1.00 0.00 C ATOM 872 CD ARG A 53 12.280 -10.416 -1.552 1.00 0.00 C ATOM 873 NE ARG A 53 13.565 -10.991 -1.167 1.00 0.00 N ATOM 874 CZ ARG A 53 14.687 -10.285 -1.069 1.00 0.00 C ATOM 875 NH1 ARG A 53 14.679 -8.985 -1.324 1.00 0.00 N ATOM 876 NH2 ARG A 53 15.817 -10.880 -0.715 1.00 0.00 N ATOM 0 H ARG A 53 9.267 -11.736 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 53 9.538 -9.947 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.470 -12.424 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.929 -11.495 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.337 -11.310 -1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.636 -12.463 -1.606 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.422 -9.748 -2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.893 -9.812 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 53 13.604 -11.989 -0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.811 -8.524 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.541 -8.445 -1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.826 -11.881 -0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.677 -10.337 -0.640 1.00 0.00 H new ATOM 890 N GLY A 54 10.707 -7.960 -3.965 1.00 0.00 N ATOM 891 CA GLY A 54 11.495 -6.808 -4.367 1.00 0.00 C ATOM 892 C GLY A 54 10.702 -5.821 -5.205 1.00 0.00 C ATOM 893 O GLY A 54 11.277 -4.945 -5.851 1.00 0.00 O ATOM 0 H GLY A 54 9.904 -7.745 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.873 -6.303 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.362 -7.146 -4.934 1.00 0.00 H new ATOM 897 N ASP A 55 9.379 -5.959 -5.192 1.00 0.00 N ATOM 898 CA ASP A 55 8.510 -5.076 -5.956 1.00 0.00 C ATOM 899 C ASP A 55 7.607 -4.269 -5.029 1.00 0.00 C ATOM 900 O ASP A 55 6.904 -4.832 -4.189 1.00 0.00 O ATOM 901 CB ASP A 55 7.652 -5.897 -6.920 1.00 0.00 C ATOM 902 CG ASP A 55 8.041 -5.681 -8.371 1.00 0.00 C ATOM 903 OD1 ASP A 55 8.545 -4.585 -8.694 1.00 0.00 O ATOM 904 OD2 ASP A 55 7.844 -6.609 -9.183 1.00 0.00 O ATOM 0 H ASP A 55 8.887 -6.676 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 55 9.135 -4.385 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.747 -6.955 -6.675 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.604 -5.631 -6.785 1.00 0.00 H new ATOM 909 N ILE A 56 7.599 -2.955 -5.211 1.00 0.00 N ATOM 910 CA ILE A 56 6.774 -2.080 -4.391 1.00 0.00 C ATOM 911 C ILE A 56 5.454 -1.766 -5.089 1.00 0.00 C ATOM 912 O ILE A 56 5.398 -1.645 -6.313 1.00 0.00 O ATOM 913 CB ILE A 56 7.508 -0.769 -4.050 1.00 0.00 C ATOM 914 CG1 ILE A 56 8.754 -1.079 -3.221 1.00 0.00 C ATOM 915 CG2 ILE A 56 6.596 0.197 -3.299 1.00 0.00 C ATOM 916 CD1 ILE A 56 10.038 -1.042 -4.021 1.00 0.00 C ATOM 0 H ILE A 56 8.154 -2.473 -5.918 1.00 0.00 H new ATOM 0 HA ILE A 56 6.567 -2.610 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 56 7.804 -0.287 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.824 -0.361 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.644 -2.066 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.143 1.112 -3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.730 0.435 -3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.262 -0.265 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.880 -1.271 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.989 -1.779 -4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.171 -0.049 -4.449 1.00 0.00 H new ATOM 928 N VAL A 57 4.393 -1.658 -4.299 1.00 0.00 N ATOM 929 CA VAL A 57 3.066 -1.397 -4.833 1.00 0.00 C ATOM 930 C VAL A 57 2.626 0.034 -4.569 1.00 0.00 C ATOM 931 O VAL A 57 2.898 0.590 -3.509 1.00 0.00 O ATOM 932 CB VAL A 57 2.020 -2.348 -4.231 1.00 0.00 C ATOM 933 CG1 VAL A 57 0.721 -2.263 -5.015 1.00 0.00 C ATOM 934 CG2 VAL A 57 2.551 -3.771 -4.194 1.00 0.00 C ATOM 0 H VAL A 57 4.428 -1.748 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 57 3.132 -1.562 -5.908 1.00 0.00 H new ATOM 0 HB VAL A 57 1.816 -2.044 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.012 -2.941 -4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.339 -1.243 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.903 -2.544 -6.052 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.796 -4.430 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.785 -4.099 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.454 -3.807 -3.584 1.00 0.00 H new ATOM 944 N LYS A 58 1.947 0.623 -5.545 1.00 0.00 N ATOM 945 CA LYS A 58 1.452 1.983 -5.424 1.00 0.00 C ATOM 946 C LYS A 58 -0.069 1.974 -5.246 1.00 0.00 C ATOM 947 O LYS A 58 -0.811 1.564 -6.138 1.00 0.00 O ATOM 948 CB LYS A 58 1.899 2.800 -6.660 1.00 0.00 C ATOM 949 CG LYS A 58 0.821 3.622 -7.361 1.00 0.00 C ATOM 950 CD LYS A 58 0.348 4.789 -6.511 1.00 0.00 C ATOM 951 CE LYS A 58 1.160 6.045 -6.779 1.00 0.00 C ATOM 952 NZ LYS A 58 0.457 6.972 -7.708 1.00 0.00 N ATOM 0 H LYS A 58 1.727 0.174 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 58 1.872 2.462 -4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.696 3.476 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.329 2.111 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.210 3.998 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.027 2.980 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.704 4.985 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.423 4.525 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.359 6.557 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.126 5.770 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.145 7.628 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.006 6.424 -8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.259 7.513 -7.183 1.00 0.00 H new ATOM 966 N ILE A 59 -0.518 2.424 -4.081 1.00 0.00 N ATOM 967 CA ILE A 59 -1.941 2.488 -3.778 1.00 0.00 C ATOM 968 C ILE A 59 -2.376 3.930 -3.557 1.00 0.00 C ATOM 969 O ILE A 59 -1.721 4.678 -2.832 1.00 0.00 O ATOM 970 CB ILE A 59 -2.293 1.658 -2.529 1.00 0.00 C ATOM 971 CG1 ILE A 59 -1.839 0.208 -2.711 1.00 0.00 C ATOM 972 CG2 ILE A 59 -3.788 1.720 -2.255 1.00 0.00 C ATOM 973 CD1 ILE A 59 -0.358 0.004 -2.472 1.00 0.00 C ATOM 0 H ILE A 59 0.087 2.751 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.471 2.071 -4.634 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.769 2.079 -1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.400 -0.429 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.084 -0.117 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.020 1.129 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.085 2.755 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.332 1.320 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.107 -1.047 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.211 0.614 -3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.110 0.297 -1.452 1.00 0.00 H new ATOM 985 N ILE A 60 -3.476 4.321 -4.187 1.00 0.00 N ATOM 986 CA ILE A 60 -3.974 5.684 -4.059 1.00 0.00 C ATOM 987 C ILE A 60 -5.367 5.709 -3.445 1.00 0.00 C ATOM 988 O ILE A 60 -6.227 4.899 -3.789 1.00 0.00 O ATOM 989 CB ILE A 60 -4.015 6.400 -5.420 1.00 0.00 C ATOM 990 CG1 ILE A 60 -2.704 6.170 -6.167 1.00 0.00 C ATOM 991 CG2 ILE A 60 -4.276 7.887 -5.232 1.00 0.00 C ATOM 992 CD1 ILE A 60 -2.891 5.625 -7.565 1.00 0.00 C ATOM 0 H ILE A 60 -4.037 3.718 -4.788 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.281 6.208 -3.401 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.831 5.987 -6.013 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.158 7.112 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.087 5.477 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.302 8.378 -6.205 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.233 8.028 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.481 8.322 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.917 5.487 -8.035 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.409 4.667 -7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.481 6.327 -8.153 1.00 0.00 H new ATOM 1149 N VAL A 70 -1.816 8.461 -0.915 1.00 0.00 N ATOM 1150 CA VAL A 70 -1.075 7.356 -1.512 1.00 0.00 C ATOM 1151 C VAL A 70 -0.154 6.685 -0.492 1.00 0.00 C ATOM 1152 O VAL A 70 0.505 7.353 0.304 1.00 0.00 O ATOM 1153 CB VAL A 70 -0.243 7.829 -2.725 1.00 0.00 C ATOM 1154 CG1 VAL A 70 0.608 6.696 -3.289 1.00 0.00 C ATOM 1155 CG2 VAL A 70 -1.153 8.398 -3.803 1.00 0.00 C ATOM 0 HA VAL A 70 -1.812 6.628 -1.851 1.00 0.00 H new ATOM 0 HB VAL A 70 0.431 8.615 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.181 7.061 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.291 6.336 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.039 5.880 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.552 8.727 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.853 7.630 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.707 9.246 -3.401 1.00 0.00 H new ATOM 1165 N THR A 71 -0.111 5.357 -0.541 1.00 0.00 N ATOM 1166 CA THR A 71 0.743 4.575 0.344 1.00 0.00 C ATOM 1167 C THR A 71 1.377 3.422 -0.426 1.00 0.00 C ATOM 1168 O THR A 71 0.697 2.719 -1.172 1.00 0.00 O ATOM 1169 CB THR A 71 -0.064 4.039 1.528 1.00 0.00 C ATOM 1170 OG1 THR A 71 0.797 3.502 2.517 1.00 0.00 O ATOM 1171 CG2 THR A 71 -1.052 2.960 1.141 1.00 0.00 C ATOM 0 H THR A 71 -0.663 4.797 -1.191 1.00 0.00 H new ATOM 0 HA THR A 71 1.533 5.221 0.727 1.00 0.00 H new ATOM 0 HB THR A 71 -0.620 4.895 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.264 3.166 3.267 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.590 2.625 2.027 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.761 3.359 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.517 2.118 0.701 1.00 0.00 H new ATOM 1179 N TYR A 72 2.685 3.245 -0.265 1.00 0.00 N ATOM 1180 CA TYR A 72 3.401 2.202 -0.992 1.00 0.00 C ATOM 1181 C TYR A 72 3.669 0.980 -0.120 1.00 0.00 C ATOM 1182 O TYR A 72 3.798 1.087 1.096 1.00 0.00 O ATOM 1183 CB TYR A 72 4.720 2.752 -1.546 1.00 0.00 C ATOM 1184 CG TYR A 72 4.563 3.493 -2.856 1.00 0.00 C ATOM 1185 CD1 TYR A 72 3.371 4.132 -3.178 1.00 0.00 C ATOM 1186 CD2 TYR A 72 5.610 3.562 -3.765 1.00 0.00 C ATOM 1187 CE1 TYR A 72 3.227 4.813 -4.372 1.00 0.00 C ATOM 1188 CE2 TYR A 72 5.475 4.244 -4.956 1.00 0.00 C ATOM 1189 CZ TYR A 72 4.284 4.872 -5.254 1.00 0.00 C ATOM 1190 OH TYR A 72 4.141 5.541 -6.447 1.00 0.00 O ATOM 0 H TYR A 72 3.267 3.806 0.357 1.00 0.00 H new ATOM 0 HA TYR A 72 2.765 1.884 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.163 3.422 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.418 1.927 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.544 4.096 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.546 3.074 -3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.291 5.296 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.299 4.286 -5.653 1.00 0.00 H new ATOM 0 HH TYR A 72 4.036 4.893 -7.175 1.00 0.00 H new ATOM 1200 N ARG A 73 3.740 -0.184 -0.758 1.00 0.00 N ATOM 1201 CA ARG A 73 4.037 -1.428 -0.056 1.00 0.00 C ATOM 1202 C ARG A 73 5.131 -2.191 -0.793 1.00 0.00 C ATOM 1203 O ARG A 73 5.020 -2.433 -1.991 1.00 0.00 O ATOM 1204 CB ARG A 73 2.778 -2.294 0.051 1.00 0.00 C ATOM 1205 CG ARG A 73 2.689 -3.085 1.346 1.00 0.00 C ATOM 1206 CD ARG A 73 2.644 -2.168 2.558 1.00 0.00 C ATOM 1207 NE ARG A 73 1.620 -1.135 2.424 1.00 0.00 N ATOM 1208 CZ ARG A 73 0.333 -1.333 2.695 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -0.084 -2.521 3.111 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -0.536 -0.343 2.547 1.00 0.00 N ATOM 0 H ARG A 73 3.596 -0.292 -1.762 1.00 0.00 H new ATOM 0 HA ARG A 73 4.383 -1.188 0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.899 -1.655 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.752 -2.987 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.798 -3.712 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.547 -3.753 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.448 -2.759 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.618 -1.698 2.693 1.00 0.00 H new ATOM 0 HE ARG A 73 1.908 -0.210 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.583 -3.285 3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.071 -2.671 3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.218 0.571 2.225 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.523 -0.495 2.755 1.00 0.00 H new ATOM 1224 N LEU A 74 6.171 -2.594 -0.071 1.00 0.00 N ATOM 1225 CA LEU A 74 7.292 -3.305 -0.679 1.00 0.00 C ATOM 1226 C LEU A 74 7.186 -4.809 -0.447 1.00 0.00 C ATOM 1227 O LEU A 74 7.132 -5.267 0.694 1.00 0.00 O ATOM 1228 CB LEU A 74 8.619 -2.787 -0.105 1.00 0.00 C ATOM 1229 CG LEU A 74 9.890 -3.059 -0.934 1.00 0.00 C ATOM 1230 CD1 LEU A 74 11.077 -3.281 -0.011 1.00 0.00 C ATOM 1231 CD2 LEU A 74 9.717 -4.253 -1.867 1.00 0.00 C ATOM 0 H LEU A 74 6.262 -2.441 0.933 1.00 0.00 H new ATOM 0 HA LEU A 74 7.261 -3.121 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.530 -1.710 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.757 -3.228 0.882 1.00 0.00 H new ATOM 0 HG LEU A 74 10.073 -2.182 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.970 -3.472 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.233 -2.393 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.881 -4.137 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.636 -4.409 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.496 -5.144 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.895 -4.060 -2.557 1.00 0.00 H new ATOM 1243 N VAL A 75 7.177 -5.575 -1.535 1.00 0.00 N ATOM 1244 CA VAL A 75 7.107 -7.029 -1.437 1.00 0.00 C ATOM 1245 C VAL A 75 8.452 -7.592 -0.985 1.00 0.00 C ATOM 1246 O VAL A 75 9.462 -7.451 -1.675 1.00 0.00 O ATOM 1247 CB VAL A 75 6.691 -7.672 -2.780 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.735 -9.191 -2.698 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.303 -7.205 -3.179 1.00 0.00 C ATOM 0 H VAL A 75 7.217 -5.215 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 75 6.344 -7.274 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 75 7.403 -7.355 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.438 -9.616 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.748 -9.513 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.051 -9.533 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.023 -7.665 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.587 -7.493 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.301 -6.120 -3.288 1.00 0.00 H new ATOM 1259 N GLN A 76 8.454 -8.220 0.185 1.00 0.00 N ATOM 1260 CA GLN A 76 9.670 -8.788 0.754 1.00 0.00 C ATOM 1261 C GLN A 76 9.462 -10.251 1.124 1.00 0.00 C ATOM 1262 O GLN A 76 8.334 -10.689 1.338 1.00 0.00 O ATOM 1263 CB GLN A 76 10.096 -7.993 1.991 1.00 0.00 C ATOM 1264 CG GLN A 76 11.533 -8.251 2.420 1.00 0.00 C ATOM 1265 CD GLN A 76 12.543 -7.586 1.507 1.00 0.00 C ATOM 1266 OE1 GLN A 76 12.197 -6.717 0.705 1.00 0.00 O ATOM 1267 NE2 GLN A 76 13.803 -7.989 1.625 1.00 0.00 N ATOM 0 H GLN A 76 7.622 -8.349 0.761 1.00 0.00 H new ATOM 0 HA GLN A 76 10.458 -8.729 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.972 -6.929 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.430 -8.240 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.675 -7.888 3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.716 -9.325 2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 76 14.046 -8.712 2.302 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.528 -7.576 1.038 1.00 0.00 H new ATOM 1276 N ASP A 77 10.549 -11.011 1.172 1.00 0.00 N ATOM 1277 CA ASP A 77 10.473 -12.424 1.517 1.00 0.00 C ATOM 1278 C ASP A 77 10.480 -12.618 3.030 1.00 0.00 C ATOM 1279 O ASP A 77 9.609 -13.357 3.536 1.00 0.00 O ATOM 1280 CB ASP A 77 11.640 -13.188 0.890 1.00 0.00 C ATOM 1281 CG ASP A 77 11.180 -14.379 0.073 1.00 0.00 C ATOM 1282 OD1 ASP A 77 10.309 -14.197 -0.804 1.00 0.00 O ATOM 1283 OD2 ASP A 77 11.691 -15.494 0.309 1.00 0.00 O ATOM 1284 OXT ASP A 77 11.356 -12.028 3.696 1.00 0.00 O ATOM 0 H ASP A 77 11.491 -10.673 0.977 1.00 0.00 H new ATOM 0 HA ASP A 77 9.536 -12.817 1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.212 -12.513 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.312 -13.529 1.677 1.00 0.00 H new