USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 522 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 41 THR OG1 : rot -19:sc= 1.66 USER MOD Set 1.2: A 88 TYR OH : rot 147:sc= 1.25 USER MOD Set 2.1: A 30 GLN : amide:sc= 0.571 K(o=1.2,f=-1.2) USER MOD Set 2.2: A 34 GLN : amide:sc= 0.63 K(o=1.2,f=-0.74) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.0801 K(o=0.08,f=-0.47) USER MOD Single : A 21 ASN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -6:sc= 1.18 USER MOD Single : A 32 LYS NZ :NH3+ -123:sc= 1.58 (180deg=0.954) USER MOD Single : A 33 GLN : amide:sc= 0.443 X(o=0.44,f=0) USER MOD Single : A 36 SER OG : rot 67:sc= 1.25 USER MOD Single : A 43 SER OG : rot -130:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc=-0.00408 X(o=-0.0041,f=-0.3) USER MOD Single : A 51 GLN : amide:sc= 0.0851 K(o=0.085,f=-1.8!) USER MOD Single : A 55 TYR OH : rot 36:sc= 1.23 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 73 THR OG1 : rot -113:sc= 1.15 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 80 GLN : amide:sc= 1.14 K(o=1.1,f=-0.14) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 4.866 -2.571 -1.146 1.00 0.00 N ATOM 265 CA ILE A 18 3.690 -2.186 -0.315 1.00 0.00 C ATOM 266 C ILE A 18 3.487 -3.198 0.858 1.00 0.00 C ATOM 267 O ILE A 18 3.416 -4.414 0.661 1.00 0.00 O ATOM 268 CB ILE A 18 2.434 -2.085 -1.246 1.00 0.00 C ATOM 269 CG1 ILE A 18 2.528 -0.916 -2.268 1.00 0.00 C ATOM 270 CG2 ILE A 18 1.084 -2.009 -0.500 1.00 0.00 C ATOM 271 CD1 ILE A 18 2.619 0.492 -1.689 1.00 0.00 C ATOM 0 HA ILE A 18 3.855 -1.213 0.149 1.00 0.00 H new ATOM 0 HB ILE A 18 2.450 -3.031 -1.786 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.403 -1.083 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.654 -0.961 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.272 -1.941 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.954 -2.904 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.072 -1.128 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.679 1.216 -2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.734 0.696 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.509 0.572 -1.065 1.00 0.00 H new ATOM 283 N LYS A 19 3.374 -2.647 2.070 1.00 0.00 N ATOM 284 CA LYS A 19 3.223 -3.432 3.316 1.00 0.00 C ATOM 285 C LYS A 19 2.349 -2.591 4.303 1.00 0.00 C ATOM 286 O LYS A 19 2.808 -1.552 4.791 1.00 0.00 O ATOM 287 CB LYS A 19 4.611 -3.709 3.964 1.00 0.00 C ATOM 288 CG LYS A 19 5.549 -4.599 3.134 1.00 0.00 C ATOM 289 CD LYS A 19 6.894 -4.867 3.838 1.00 0.00 C ATOM 290 CE LYS A 19 7.723 -5.861 3.006 1.00 0.00 C ATOM 291 NZ LYS A 19 9.103 -6.021 3.529 1.00 0.00 N ATOM 0 H LYS A 19 3.384 -1.639 2.224 1.00 0.00 H new ATOM 0 HA LYS A 19 2.755 -4.391 3.094 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.107 -2.756 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.455 -4.178 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.055 -5.549 2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.736 -4.124 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.443 -3.934 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.720 -5.269 4.836 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.225 -6.830 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.766 -5.518 1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.622 -6.700 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.590 -5.102 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.065 -6.373 4.507 1.00 0.00 H new ATOM 305 N GLN A 20 1.123 -3.038 4.627 1.00 0.00 N ATOM 306 CA GLN A 20 0.187 -2.258 5.507 1.00 0.00 C ATOM 307 C GLN A 20 0.519 -2.343 7.051 1.00 0.00 C ATOM 308 O GLN A 20 -0.284 -2.769 7.881 1.00 0.00 O ATOM 309 CB GLN A 20 -1.248 -2.725 5.148 1.00 0.00 C ATOM 310 CG GLN A 20 -2.366 -1.771 5.631 1.00 0.00 C ATOM 311 CD GLN A 20 -3.779 -2.338 5.507 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.022 -3.523 5.293 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.787 -1.518 5.672 1.00 0.00 N ATOM 0 H GLN A 20 0.744 -3.928 4.303 1.00 0.00 H new ATOM 0 HA GLN A 20 0.300 -1.191 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.322 -2.835 4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.416 -3.711 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.181 -1.514 6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.308 -0.845 5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.616 -0.529 5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.743 -1.869 5.621 1.00 0.00 H new ATOM 322 N ASN A 21 1.735 -1.892 7.365 1.00 0.00 N ATOM 323 CA ASN A 21 2.331 -1.792 8.724 1.00 0.00 C ATOM 324 C ASN A 21 3.755 -1.124 8.605 1.00 0.00 C ATOM 325 O ASN A 21 4.025 -0.166 9.328 1.00 0.00 O ATOM 326 CB ASN A 21 2.355 -3.120 9.508 1.00 0.00 C ATOM 327 CG ASN A 21 2.884 -3.057 10.938 1.00 0.00 C ATOM 328 OD1 ASN A 21 3.847 -3.735 11.280 1.00 0.00 O ATOM 329 ND2 ASN A 21 2.304 -2.286 11.831 1.00 0.00 N ATOM 0 H ASN A 21 2.378 -1.564 6.644 1.00 0.00 H new ATOM 0 HA ASN A 21 1.681 -1.158 9.328 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.340 -3.518 9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.962 -3.834 8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.656 -2.260 12.788 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.502 -1.714 11.567 1.00 0.00 H new ATOM 336 N ALA A 22 4.644 -1.578 7.694 1.00 0.00 N ATOM 337 CA ALA A 22 5.864 -0.808 7.340 1.00 0.00 C ATOM 338 C ALA A 22 5.650 0.512 6.528 1.00 0.00 C ATOM 339 O ALA A 22 6.393 1.462 6.769 1.00 0.00 O ATOM 340 CB ALA A 22 6.868 -1.747 6.666 1.00 0.00 C ATOM 0 H ALA A 22 4.545 -2.462 7.194 1.00 0.00 H new ATOM 0 HA ALA A 22 6.260 -0.431 8.283 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.767 -1.190 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.129 -2.554 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.424 -2.167 5.763 1.00 0.00 H new ATOM 346 N VAL A 23 4.638 0.620 5.645 1.00 0.00 N ATOM 347 CA VAL A 23 4.168 1.943 5.107 1.00 0.00 C ATOM 348 C VAL A 23 3.596 2.901 6.211 1.00 0.00 C ATOM 349 O VAL A 23 3.948 4.079 6.218 1.00 0.00 O ATOM 350 CB VAL A 23 3.184 1.764 3.902 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.738 3.117 3.293 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.807 0.936 2.754 1.00 0.00 C ATOM 0 H VAL A 23 4.122 -0.181 5.281 1.00 0.00 H new ATOM 0 HA VAL A 23 5.057 2.445 4.726 1.00 0.00 H new ATOM 0 HB VAL A 23 2.326 1.242 4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.057 2.935 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.231 3.709 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.612 3.660 2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.086 0.840 1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.702 1.439 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.073 -0.055 3.123 1.00 0.00 H new ATOM 362 N GLU A 24 2.783 2.400 7.148 1.00 0.00 N ATOM 363 CA GLU A 24 2.498 3.096 8.442 1.00 0.00 C ATOM 364 C GLU A 24 3.755 3.551 9.258 1.00 0.00 C ATOM 365 O GLU A 24 3.813 4.712 9.669 1.00 0.00 O ATOM 366 CB GLU A 24 1.543 2.126 9.172 1.00 0.00 C ATOM 367 CG GLU A 24 1.139 2.427 10.621 1.00 0.00 C ATOM 368 CD GLU A 24 0.333 1.279 11.235 1.00 0.00 C ATOM 369 OE1 GLU A 24 0.874 0.157 11.370 1.00 0.00 O ATOM 370 OE2 GLU A 24 -0.842 1.502 11.590 1.00 0.00 O ATOM 0 H GLU A 24 2.299 1.508 7.048 1.00 0.00 H new ATOM 0 HA GLU A 24 2.042 4.073 8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.628 2.060 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.004 1.138 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.033 2.604 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.549 3.343 10.651 1.00 0.00 H new ATOM 377 N GLN A 25 4.754 2.673 9.459 1.00 0.00 N ATOM 378 CA GLN A 25 5.974 3.001 10.245 1.00 0.00 C ATOM 379 C GLN A 25 7.085 3.850 9.551 1.00 0.00 C ATOM 380 O GLN A 25 7.892 4.433 10.278 1.00 0.00 O ATOM 381 CB GLN A 25 6.506 1.708 10.935 1.00 0.00 C ATOM 382 CG GLN A 25 7.609 0.884 10.246 1.00 0.00 C ATOM 383 CD GLN A 25 9.009 0.967 10.842 1.00 0.00 C ATOM 384 OE1 GLN A 25 9.544 -0.005 11.363 1.00 0.00 O ATOM 385 NE2 GLN A 25 9.677 2.095 10.777 1.00 0.00 N ATOM 0 H GLN A 25 4.747 1.723 9.088 1.00 0.00 H new ATOM 0 HA GLN A 25 5.644 3.718 10.997 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.876 1.991 11.920 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.654 1.047 11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.302 -0.162 10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.665 1.198 9.204 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.251 2.916 10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.622 2.150 11.156 1.00 0.00 H new ATOM 394 N LEU A 26 7.193 3.879 8.206 1.00 0.00 N ATOM 395 CA LEU A 26 8.389 4.438 7.499 1.00 0.00 C ATOM 396 C LEU A 26 8.844 5.901 7.767 1.00 0.00 C ATOM 397 O LEU A 26 10.038 6.174 7.640 1.00 0.00 O ATOM 398 CB LEU A 26 8.376 4.060 5.992 1.00 0.00 C ATOM 399 CG LEU A 26 7.222 4.517 5.084 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.229 5.998 4.711 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.264 3.713 3.764 1.00 0.00 C ATOM 0 H LEU A 26 6.472 3.524 7.578 1.00 0.00 H new ATOM 0 HA LEU A 26 9.202 3.926 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.299 4.442 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.421 2.973 5.932 1.00 0.00 H new ATOM 0 HG LEU A 26 6.320 4.341 5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.375 6.216 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.166 6.602 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.151 6.235 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.448 4.033 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.215 3.888 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.159 2.650 3.982 1.00 0.00 H new ATOM 413 N GLN A 27 7.924 6.805 8.152 1.00 0.00 N ATOM 414 CA GLN A 27 8.261 8.166 8.682 1.00 0.00 C ATOM 415 C GLN A 27 9.226 9.050 7.823 1.00 0.00 C ATOM 416 O GLN A 27 10.187 9.641 8.321 1.00 0.00 O ATOM 417 CB GLN A 27 8.636 7.990 10.174 1.00 0.00 C ATOM 418 CG GLN A 27 8.586 9.277 11.020 1.00 0.00 C ATOM 419 CD GLN A 27 8.805 9.031 12.508 1.00 0.00 C ATOM 420 OE1 GLN A 27 7.903 9.148 13.329 1.00 0.00 O ATOM 421 NE2 GLN A 27 10.002 8.673 12.908 1.00 0.00 N ATOM 0 H GLN A 27 6.921 6.625 8.109 1.00 0.00 H new ATOM 0 HA GLN A 27 7.380 8.802 8.597 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.962 7.257 10.617 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.642 7.575 10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.345 9.971 10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.619 9.760 10.877 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.758 8.574 12.230 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.177 8.494 13.897 1.00 0.00 H new ATOM 430 N VAL A 28 8.920 9.159 6.524 1.00 0.00 N ATOM 431 CA VAL A 28 9.716 9.972 5.557 1.00 0.00 C ATOM 432 C VAL A 28 9.102 11.407 5.485 1.00 0.00 C ATOM 433 O VAL A 28 7.901 11.556 5.257 1.00 0.00 O ATOM 434 CB VAL A 28 9.748 9.246 4.167 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.398 10.078 3.036 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.540 7.913 4.229 1.00 0.00 C ATOM 0 H VAL A 28 8.118 8.692 6.101 1.00 0.00 H new ATOM 0 HA VAL A 28 10.751 10.074 5.882 1.00 0.00 H new ATOM 0 HB VAL A 28 8.694 9.082 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.381 9.506 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.842 11.006 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.430 10.309 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.538 7.442 3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.567 8.114 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.072 7.245 4.952 1.00 0.00 H new ATOM 446 N GLY A 29 9.947 12.438 5.642 1.00 0.00 N ATOM 447 CA GLY A 29 9.529 13.857 5.521 1.00 0.00 C ATOM 448 C GLY A 29 10.462 14.721 4.654 1.00 0.00 C ATOM 449 O GLY A 29 10.994 15.716 5.143 1.00 0.00 O ATOM 0 H GLY A 29 10.937 12.320 5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.524 13.893 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.472 14.293 6.518 1.00 0.00 H new ATOM 453 N GLN A 30 10.649 14.342 3.376 1.00 0.00 N ATOM 454 CA GLN A 30 11.694 14.956 2.506 1.00 0.00 C ATOM 455 C GLN A 30 11.271 15.177 1.021 1.00 0.00 C ATOM 456 O GLN A 30 11.620 16.224 0.468 1.00 0.00 O ATOM 457 CB GLN A 30 12.996 14.110 2.628 1.00 0.00 C ATOM 458 CG GLN A 30 14.250 14.805 2.053 1.00 0.00 C ATOM 459 CD GLN A 30 15.548 14.035 2.259 1.00 0.00 C ATOM 460 OE1 GLN A 30 16.074 13.387 1.361 1.00 0.00 O ATOM 461 NE2 GLN A 30 16.136 14.102 3.429 1.00 0.00 N ATOM 0 H GLN A 30 10.098 13.618 2.916 1.00 0.00 H new ATOM 0 HA GLN A 30 11.863 15.970 2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.170 13.879 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.850 13.161 2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.103 14.966 0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.348 15.788 2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.709 14.638 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.021 13.618 3.584 1.00 0.00 H new ATOM 470 N SER A 31 10.628 14.214 0.334 1.00 0.00 N ATOM 471 CA SER A 31 10.345 14.331 -1.127 1.00 0.00 C ATOM 472 C SER A 31 9.214 13.377 -1.599 1.00 0.00 C ATOM 473 O SER A 31 9.123 12.228 -1.151 1.00 0.00 O ATOM 474 CB SER A 31 11.635 14.100 -1.952 1.00 0.00 C ATOM 475 OG SER A 31 12.578 15.151 -1.734 1.00 0.00 O ATOM 0 H SER A 31 10.293 13.348 0.755 1.00 0.00 H new ATOM 0 HA SER A 31 9.990 15.347 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.081 13.144 -1.677 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.388 14.043 -3.012 1.00 0.00 H new ATOM 0 HG SER A 31 12.168 15.850 -1.183 1.00 0.00 H new ATOM 481 N LYS A 32 8.393 13.843 -2.564 1.00 0.00 N ATOM 482 CA LYS A 32 7.363 12.983 -3.217 1.00 0.00 C ATOM 483 C LYS A 32 7.918 11.814 -4.072 1.00 0.00 C ATOM 484 O LYS A 32 7.494 10.670 -3.909 1.00 0.00 O ATOM 485 CB LYS A 32 6.274 13.826 -3.928 1.00 0.00 C ATOM 486 CG LYS A 32 6.586 14.438 -5.297 1.00 0.00 C ATOM 487 CD LYS A 32 5.433 15.256 -5.906 1.00 0.00 C ATOM 488 CE LYS A 32 5.004 16.526 -5.161 1.00 0.00 C ATOM 489 NZ LYS A 32 6.029 17.604 -5.189 1.00 0.00 N ATOM 0 H LYS A 32 8.417 14.802 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 32 6.869 12.459 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.392 13.196 -4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.999 14.641 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.461 15.081 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.851 13.637 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.718 15.539 -6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.564 14.604 -5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.080 16.902 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.783 16.273 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.275 17.874 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.880 17.261 -5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.649 18.431 -5.692 1.00 0.00 H new ATOM 503 N GLN A 33 8.892 12.115 -4.934 1.00 0.00 N ATOM 504 CA GLN A 33 9.632 11.116 -5.738 1.00 0.00 C ATOM 505 C GLN A 33 10.445 10.033 -4.981 1.00 0.00 C ATOM 506 O GLN A 33 10.519 8.910 -5.476 1.00 0.00 O ATOM 507 CB GLN A 33 10.464 11.908 -6.781 1.00 0.00 C ATOM 508 CG GLN A 33 11.606 12.792 -6.220 1.00 0.00 C ATOM 509 CD GLN A 33 11.929 13.998 -7.091 1.00 0.00 C ATOM 510 OE1 GLN A 33 12.631 13.900 -8.091 1.00 0.00 O ATOM 511 NE2 GLN A 33 11.442 15.170 -6.755 1.00 0.00 N ATOM 0 H GLN A 33 9.200 13.073 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 33 8.891 10.472 -6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.896 11.197 -7.485 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.785 12.545 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.330 13.138 -5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.504 12.184 -6.109 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.857 15.260 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.649 15.990 -7.325 1.00 0.00 H new ATOM 520 N GLN A 34 10.990 10.325 -3.787 1.00 0.00 N ATOM 521 CA GLN A 34 11.573 9.284 -2.903 1.00 0.00 C ATOM 522 C GLN A 34 10.504 8.299 -2.318 1.00 0.00 C ATOM 523 O GLN A 34 10.623 7.093 -2.543 1.00 0.00 O ATOM 524 CB GLN A 34 12.367 9.929 -1.742 1.00 0.00 C ATOM 525 CG GLN A 34 13.630 10.722 -2.129 1.00 0.00 C ATOM 526 CD GLN A 34 14.273 11.438 -0.936 1.00 0.00 C ATOM 527 OE1 GLN A 34 13.678 11.676 0.111 1.00 0.00 O ATOM 528 NE2 GLN A 34 15.508 11.851 -1.065 1.00 0.00 N ATOM 0 H GLN A 34 11.042 11.270 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 34 12.243 8.700 -3.534 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.697 10.597 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.659 9.140 -1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.357 10.043 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.372 11.457 -2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 34 16.021 11.664 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.958 12.360 -0.304 1.00 0.00 H new ATOM 537 N VAL A 35 9.468 8.797 -1.614 1.00 0.00 N ATOM 538 CA VAL A 35 8.373 7.929 -1.086 1.00 0.00 C ATOM 539 C VAL A 35 7.546 7.182 -2.176 1.00 0.00 C ATOM 540 O VAL A 35 7.302 5.985 -2.019 1.00 0.00 O ATOM 541 CB VAL A 35 7.555 8.711 -0.014 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.616 9.800 -0.551 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.748 7.767 0.900 1.00 0.00 C ATOM 0 H VAL A 35 9.358 9.787 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 35 8.826 7.081 -0.573 1.00 0.00 H new ATOM 0 HB VAL A 35 8.332 9.226 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.099 10.277 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.197 10.546 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.885 9.351 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.194 8.355 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.050 7.186 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.429 7.092 1.418 1.00 0.00 H new ATOM 553 N SER A 36 7.188 7.841 -3.290 1.00 0.00 N ATOM 554 CA SER A 36 6.518 7.177 -4.439 1.00 0.00 C ATOM 555 C SER A 36 7.365 6.138 -5.230 1.00 0.00 C ATOM 556 O SER A 36 6.820 5.097 -5.604 1.00 0.00 O ATOM 557 CB SER A 36 5.941 8.293 -5.340 1.00 0.00 C ATOM 558 OG SER A 36 4.774 7.865 -6.035 1.00 0.00 O ATOM 0 H SER A 36 7.349 8.839 -3.427 1.00 0.00 H new ATOM 0 HA SER A 36 5.730 6.542 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.701 9.164 -4.730 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.698 8.606 -6.060 1.00 0.00 H new ATOM 0 HG SER A 36 4.050 7.708 -5.393 1.00 0.00 H new ATOM 564 N ALA A 37 8.680 6.352 -5.418 1.00 0.00 N ATOM 565 CA ALA A 37 9.598 5.288 -5.901 1.00 0.00 C ATOM 566 C ALA A 37 9.812 4.074 -4.938 1.00 0.00 C ATOM 567 O ALA A 37 9.761 2.933 -5.402 1.00 0.00 O ATOM 568 CB ALA A 37 10.940 5.959 -6.234 1.00 0.00 C ATOM 0 H ALA A 37 9.136 7.248 -5.245 1.00 0.00 H new ATOM 0 HA ALA A 37 9.126 4.835 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.643 5.208 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.788 6.713 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.342 6.433 -5.339 1.00 0.00 H new ATOM 574 N LEU A 38 10.015 4.310 -3.630 1.00 0.00 N ATOM 575 CA LEU A 38 10.076 3.224 -2.608 1.00 0.00 C ATOM 576 C LEU A 38 8.752 2.404 -2.407 1.00 0.00 C ATOM 577 O LEU A 38 8.820 1.187 -2.230 1.00 0.00 O ATOM 578 CB LEU A 38 10.573 3.810 -1.257 1.00 0.00 C ATOM 579 CG LEU A 38 12.102 3.781 -1.025 1.00 0.00 C ATOM 580 CD1 LEU A 38 12.912 4.641 -1.997 1.00 0.00 C ATOM 581 CD2 LEU A 38 12.399 4.257 0.413 1.00 0.00 C ATOM 0 H LEU A 38 10.141 5.245 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 38 10.784 2.493 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.235 4.844 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.092 3.261 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 38 12.411 2.750 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.972 4.559 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.742 4.296 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.600 5.682 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.475 4.240 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.026 5.273 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.906 3.595 1.125 1.00 0.00 H new ATOM 593 N LEU A 39 7.585 3.051 -2.465 1.00 0.00 N ATOM 594 CA LEU A 39 6.276 2.362 -2.604 1.00 0.00 C ATOM 595 C LEU A 39 6.015 1.655 -3.984 1.00 0.00 C ATOM 596 O LEU A 39 5.394 0.591 -4.005 1.00 0.00 O ATOM 597 CB LEU A 39 5.174 3.423 -2.330 1.00 0.00 C ATOM 598 CG LEU A 39 5.102 3.935 -0.874 1.00 0.00 C ATOM 599 CD1 LEU A 39 4.216 5.184 -0.812 1.00 0.00 C ATOM 600 CD2 LEU A 39 4.571 2.890 0.101 1.00 0.00 C ATOM 0 H LEU A 39 7.509 4.067 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 39 6.269 1.541 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.340 4.275 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.207 2.996 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 39 6.122 4.169 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.166 5.544 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.638 5.961 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.213 4.936 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.545 3.310 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.565 2.594 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.224 2.017 0.090 1.00 0.00 H new ATOM 612 N GLY A 40 6.478 2.245 -5.094 1.00 0.00 N ATOM 613 CA GLY A 40 6.335 1.672 -6.451 1.00 0.00 C ATOM 614 C GLY A 40 5.143 2.235 -7.229 1.00 0.00 C ATOM 615 O GLY A 40 4.152 1.533 -7.449 1.00 0.00 O ATOM 0 H GLY A 40 6.967 3.140 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.249 1.861 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.228 0.590 -6.371 1.00 0.00 H new ATOM 619 N THR A 41 5.183 3.527 -7.573 1.00 0.00 N ATOM 620 CA THR A 41 4.008 4.266 -8.126 1.00 0.00 C ATOM 621 C THR A 41 4.500 5.649 -8.702 1.00 0.00 C ATOM 622 O THR A 41 5.408 6.247 -8.115 1.00 0.00 O ATOM 623 CB THR A 41 2.917 4.482 -7.016 1.00 0.00 C ATOM 624 OG1 THR A 41 2.549 3.245 -6.407 1.00 0.00 O ATOM 625 CG2 THR A 41 1.600 5.046 -7.521 1.00 0.00 C ATOM 0 H THR A 41 6.021 4.102 -7.482 1.00 0.00 H new ATOM 0 HA THR A 41 3.554 3.681 -8.926 1.00 0.00 H new ATOM 0 HB THR A 41 3.396 5.186 -6.335 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.815 2.502 -6.988 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.909 5.161 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.774 6.017 -7.984 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.171 4.365 -8.256 1.00 0.00 H new ATOM 633 N PRO A 42 3.931 6.229 -9.788 1.00 0.00 N ATOM 634 CA PRO A 42 4.146 7.678 -10.124 1.00 0.00 C ATOM 635 C PRO A 42 3.339 8.650 -9.214 1.00 0.00 C ATOM 636 O PRO A 42 2.217 8.348 -8.801 1.00 0.00 O ATOM 637 CB PRO A 42 3.691 7.719 -11.607 1.00 0.00 C ATOM 638 CG PRO A 42 2.590 6.636 -11.705 1.00 0.00 C ATOM 639 CD PRO A 42 3.078 5.522 -10.763 1.00 0.00 C ATOM 0 HA PRO A 42 5.171 8.014 -9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.306 8.702 -11.877 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.519 7.505 -12.282 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.620 7.024 -11.395 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.477 6.273 -12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.244 5.019 -10.273 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.638 4.759 -11.303 1.00 0.00 H new ATOM 647 N SER A 43 3.910 9.828 -8.914 1.00 0.00 N ATOM 648 CA SER A 43 3.257 10.821 -8.014 1.00 0.00 C ATOM 649 C SER A 43 2.347 11.837 -8.779 1.00 0.00 C ATOM 650 O SER A 43 1.561 11.427 -9.641 1.00 0.00 O ATOM 651 CB SER A 43 4.355 11.396 -7.077 1.00 0.00 C ATOM 652 OG SER A 43 5.220 12.333 -7.716 1.00 0.00 O ATOM 0 H SER A 43 4.817 10.124 -9.274 1.00 0.00 H new ATOM 0 HA SER A 43 2.514 10.354 -7.367 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.877 11.879 -6.225 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.952 10.573 -6.684 1.00 0.00 H new ATOM 0 HG SER A 43 6.153 12.091 -7.539 1.00 0.00 H new ATOM 658 N ILE A 44 2.427 13.143 -8.466 1.00 0.00 N ATOM 659 CA ILE A 44 1.864 14.222 -9.334 1.00 0.00 C ATOM 660 C ILE A 44 3.034 15.260 -9.549 1.00 0.00 C ATOM 661 O ILE A 44 3.169 16.174 -8.725 1.00 0.00 O ATOM 662 CB ILE A 44 0.539 14.862 -8.769 1.00 0.00 C ATOM 663 CG1 ILE A 44 -0.600 13.804 -8.670 1.00 0.00 C ATOM 664 CG2 ILE A 44 0.066 16.025 -9.684 1.00 0.00 C ATOM 665 CD1 ILE A 44 -1.898 14.299 -8.032 1.00 0.00 C ATOM 0 H ILE A 44 2.876 13.489 -7.618 1.00 0.00 H new ATOM 0 HA ILE A 44 1.534 13.815 -10.290 1.00 0.00 H new ATOM 0 HB ILE A 44 0.759 15.242 -7.771 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.823 13.440 -9.673 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.234 12.953 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.850 16.456 -9.280 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.840 16.792 -9.727 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.124 15.644 -10.687 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.625 13.488 -8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.698 14.634 -7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.297 15.129 -8.616 1.00 0.00 H new ATOM 677 N PRO A 45 3.878 15.174 -10.616 1.00 0.00 N ATOM 678 CA PRO A 45 4.979 16.165 -10.852 1.00 0.00 C ATOM 679 C PRO A 45 4.556 17.362 -11.750 1.00 0.00 C ATOM 680 O PRO A 45 4.912 17.445 -12.930 1.00 0.00 O ATOM 681 CB PRO A 45 6.064 15.241 -11.469 1.00 0.00 C ATOM 682 CG PRO A 45 5.263 14.223 -12.316 1.00 0.00 C ATOM 683 CD PRO A 45 3.983 13.984 -11.496 1.00 0.00 C ATOM 0 HA PRO A 45 5.314 16.695 -9.960 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.765 15.806 -12.084 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.648 14.742 -10.696 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.035 14.619 -13.306 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.822 13.299 -12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.110 13.890 -12.142 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.050 13.065 -10.914 1.00 0.00 H new ATOM 691 N ASP A 46 3.809 18.306 -11.162 1.00 0.00 N ATOM 692 CA ASP A 46 3.340 19.520 -11.868 1.00 0.00 C ATOM 693 C ASP A 46 4.415 20.660 -11.856 1.00 0.00 C ATOM 694 O ASP A 46 4.778 21.121 -10.766 1.00 0.00 O ATOM 695 CB ASP A 46 1.990 19.951 -11.246 1.00 0.00 C ATOM 696 CG ASP A 46 1.359 21.211 -11.844 1.00 0.00 C ATOM 697 OD1 ASP A 46 1.546 21.493 -13.047 1.00 0.00 O ATOM 698 OD2 ASP A 46 0.716 21.966 -11.087 1.00 0.00 O ATOM 0 H ASP A 46 3.510 18.256 -10.188 1.00 0.00 H new ATOM 0 HA ASP A 46 3.185 19.298 -12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.283 19.128 -11.350 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.137 20.112 -10.178 1.00 0.00 H new ATOM 703 N PRO A 47 4.890 21.201 -13.011 1.00 0.00 N ATOM 704 CA PRO A 47 5.669 22.478 -13.036 1.00 0.00 C ATOM 705 C PRO A 47 4.922 23.799 -12.680 1.00 0.00 C ATOM 706 O PRO A 47 5.606 24.795 -12.437 1.00 0.00 O ATOM 707 CB PRO A 47 6.232 22.469 -14.482 1.00 0.00 C ATOM 708 CG PRO A 47 5.146 21.753 -15.316 1.00 0.00 C ATOM 709 CD PRO A 47 4.586 20.684 -14.363 1.00 0.00 C ATOM 0 HA PRO A 47 6.410 22.492 -12.237 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.408 23.481 -14.846 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.184 21.941 -14.534 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.369 22.446 -15.638 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.566 21.304 -16.216 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.514 20.548 -14.505 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.056 19.715 -14.533 1.00 0.00 H new ATOM 717 N PHE A 48 3.575 23.828 -12.609 1.00 0.00 N ATOM 718 CA PHE A 48 2.827 24.971 -12.012 1.00 0.00 C ATOM 719 C PHE A 48 2.890 24.920 -10.453 1.00 0.00 C ATOM 720 O PHE A 48 3.538 25.789 -9.865 1.00 0.00 O ATOM 721 CB PHE A 48 1.415 24.981 -12.642 1.00 0.00 C ATOM 722 CG PHE A 48 0.657 26.326 -12.624 1.00 0.00 C ATOM 723 CD1 PHE A 48 0.517 27.099 -11.456 1.00 0.00 C ATOM 724 CD2 PHE A 48 0.052 26.793 -13.803 1.00 0.00 C ATOM 725 CE1 PHE A 48 -0.194 28.300 -11.470 1.00 0.00 C ATOM 726 CE2 PHE A 48 -0.661 27.994 -13.818 1.00 0.00 C ATOM 727 CZ PHE A 48 -0.782 28.745 -12.651 1.00 0.00 C ATOM 0 H PHE A 48 2.977 23.077 -12.955 1.00 0.00 H new ATOM 0 HA PHE A 48 3.278 25.936 -12.244 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.502 24.654 -13.678 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.806 24.240 -12.124 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.966 26.758 -10.535 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.140 26.215 -14.711 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.288 28.883 -10.566 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.118 28.340 -14.733 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.333 29.674 -12.662 1.00 0.00 H new ATOM 737 N HIS A 49 2.263 23.935 -9.783 1.00 0.00 N ATOM 738 CA HIS A 49 2.528 23.663 -8.346 1.00 0.00 C ATOM 739 C HIS A 49 2.336 22.143 -8.080 1.00 0.00 C ATOM 740 O HIS A 49 1.205 21.655 -7.970 1.00 0.00 O ATOM 741 CB HIS A 49 1.614 24.538 -7.453 1.00 0.00 C ATOM 742 CG HIS A 49 1.982 24.620 -5.957 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.492 23.583 -5.187 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.778 25.740 -5.128 1.00 0.00 C ATOM 745 CE1 HIS A 49 2.553 24.178 -3.959 1.00 0.00 C ATOM 746 NE2 HIS A 49 2.144 25.476 -3.818 1.00 0.00 N ATOM 0 H HIS A 49 1.572 23.314 -10.205 1.00 0.00 H new ATOM 0 HA HIS A 49 3.555 23.927 -8.094 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.610 25.550 -7.858 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.595 24.158 -7.533 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.385 26.686 -5.470 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.921 23.628 -3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 49 2.117 26.073 -2.992 1.00 0.00 H new ATOM 754 N ALA A 50 3.445 21.416 -7.865 1.00 0.00 N ATOM 755 CA ALA A 50 3.388 19.999 -7.438 1.00 0.00 C ATOM 756 C ALA A 50 2.977 19.830 -5.942 1.00 0.00 C ATOM 757 O ALA A 50 3.807 19.799 -5.029 1.00 0.00 O ATOM 758 CB ALA A 50 4.758 19.408 -7.782 1.00 0.00 C ATOM 0 H ALA A 50 4.391 21.780 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 50 2.601 19.456 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.785 18.358 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.932 19.492 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.535 19.953 -7.245 1.00 0.00 H new ATOM 764 N GLN A 51 1.658 19.739 -5.738 1.00 0.00 N ATOM 765 CA GLN A 51 1.022 19.666 -4.395 1.00 0.00 C ATOM 766 C GLN A 51 1.031 18.198 -3.820 1.00 0.00 C ATOM 767 O GLN A 51 1.902 17.387 -4.148 1.00 0.00 O ATOM 768 CB GLN A 51 -0.414 20.257 -4.577 1.00 0.00 C ATOM 769 CG GLN A 51 -0.503 21.772 -4.836 1.00 0.00 C ATOM 770 CD GLN A 51 -1.938 22.288 -4.963 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.937 21.578 -4.847 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.082 23.568 -5.200 1.00 0.00 N ATOM 0 H GLN A 51 0.984 19.713 -6.503 1.00 0.00 H new ATOM 0 HA GLN A 51 1.574 20.239 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.894 19.740 -5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.993 20.029 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.006 22.301 -4.023 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.042 22.009 -5.750 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.260 24.164 -5.298 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.016 23.969 -5.287 1.00 0.00 H new ATOM 781 N ARG A 52 0.056 17.865 -2.958 1.00 0.00 N ATOM 782 CA ARG A 52 -0.284 16.473 -2.581 1.00 0.00 C ATOM 783 C ARG A 52 -0.430 15.464 -3.767 1.00 0.00 C ATOM 784 O ARG A 52 -0.971 15.796 -4.825 1.00 0.00 O ATOM 785 CB ARG A 52 -1.538 16.517 -1.663 1.00 0.00 C ATOM 786 CG ARG A 52 -2.949 16.510 -2.259 1.00 0.00 C ATOM 787 CD ARG A 52 -3.343 17.680 -3.160 1.00 0.00 C ATOM 788 NE ARG A 52 -4.696 17.381 -3.682 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.353 18.081 -4.591 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.969 19.245 -5.055 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.453 17.554 -5.036 1.00 0.00 N ATOM 0 H ARG A 52 -0.529 18.560 -2.495 1.00 0.00 H new ATOM 0 HA ARG A 52 0.570 16.062 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.471 15.663 -0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.454 17.414 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.067 15.590 -2.832 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.661 16.466 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.342 18.616 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.630 17.796 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.165 16.558 -3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.108 19.671 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.532 19.725 -5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.764 16.649 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.006 18.045 -5.739 1.00 0.00 H new ATOM 805 N TRP A 53 0.025 14.229 -3.549 1.00 0.00 N ATOM 806 CA TRP A 53 -0.197 13.105 -4.516 1.00 0.00 C ATOM 807 C TRP A 53 -1.551 12.442 -4.164 1.00 0.00 C ATOM 808 O TRP A 53 -1.655 11.753 -3.147 1.00 0.00 O ATOM 809 CB TRP A 53 1.037 12.197 -4.403 1.00 0.00 C ATOM 810 CG TRP A 53 1.032 10.758 -4.973 1.00 0.00 C ATOM 811 CD1 TRP A 53 0.131 10.171 -5.899 1.00 0.00 C ATOM 812 CD2 TRP A 53 1.809 9.692 -4.512 1.00 0.00 C ATOM 813 NE1 TRP A 53 0.291 8.782 -5.975 1.00 0.00 N ATOM 814 CE2 TRP A 53 1.304 8.501 -5.089 1.00 0.00 C ATOM 815 CE3 TRP A 53 2.860 9.623 -3.537 1.00 0.00 C ATOM 816 CZ2 TRP A 53 1.782 7.242 -4.644 1.00 0.00 C ATOM 817 CZ3 TRP A 53 3.314 8.375 -3.127 1.00 0.00 C ATOM 818 CH2 TRP A 53 2.779 7.196 -3.673 1.00 0.00 C ATOM 0 H TRP A 53 0.552 13.962 -2.717 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.282 13.403 -5.561 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.864 12.724 -4.879 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.277 12.118 -3.343 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.592 10.729 -6.476 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.228 8.125 -6.558 1.00 0.00 H new ATOM 0 HE3 TRP A 53 3.291 10.525 -3.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.377 6.329 -5.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.089 8.310 -2.378 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.147 6.239 -3.334 1.00 0.00 H new ATOM 829 N ASP A 54 -2.572 12.695 -4.994 1.00 0.00 N ATOM 830 CA ASP A 54 -3.989 12.445 -4.621 1.00 0.00 C ATOM 831 C ASP A 54 -4.643 11.311 -5.466 1.00 0.00 C ATOM 832 O ASP A 54 -5.560 11.539 -6.262 1.00 0.00 O ATOM 833 CB ASP A 54 -4.714 13.811 -4.747 1.00 0.00 C ATOM 834 CG ASP A 54 -5.915 14.003 -3.831 1.00 0.00 C ATOM 835 OD1 ASP A 54 -6.375 13.040 -3.176 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.373 15.165 -3.727 1.00 0.00 O ATOM 0 H ASP A 54 -2.452 13.074 -5.933 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.066 12.071 -3.600 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.994 14.604 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.043 13.934 -5.779 1.00 0.00 H new ATOM 841 N TYR A 55 -4.166 10.069 -5.288 1.00 0.00 N ATOM 842 CA TYR A 55 -4.702 8.903 -6.034 1.00 0.00 C ATOM 843 C TYR A 55 -5.682 8.100 -5.124 1.00 0.00 C ATOM 844 O TYR A 55 -5.257 7.224 -4.370 1.00 0.00 O ATOM 845 CB TYR A 55 -3.558 7.981 -6.535 1.00 0.00 C ATOM 846 CG TYR A 55 -2.688 8.427 -7.727 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.604 9.752 -8.204 1.00 0.00 C ATOM 848 CD2 TYR A 55 -1.848 7.465 -8.306 1.00 0.00 C ATOM 849 CE1 TYR A 55 -1.667 10.104 -9.177 1.00 0.00 C ATOM 850 CE2 TYR A 55 -0.924 7.818 -9.294 1.00 0.00 C ATOM 851 CZ TYR A 55 -0.823 9.142 -9.716 1.00 0.00 C ATOM 852 OH TYR A 55 0.148 9.502 -10.603 1.00 0.00 O ATOM 0 H TYR A 55 -3.414 9.839 -4.639 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.239 9.273 -6.907 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.890 7.803 -5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.004 7.021 -6.797 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.273 10.503 -7.811 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.916 6.436 -7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.598 11.128 -9.512 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.287 7.063 -9.731 1.00 0.00 H new ATOM 0 HH TYR A 55 0.511 10.377 -10.353 1.00 0.00 H new ATOM 862 N THR A 56 -6.997 8.338 -5.253 1.00 0.00 N ATOM 863 CA THR A 56 -8.024 7.334 -4.830 1.00 0.00 C ATOM 864 C THR A 56 -8.484 6.541 -6.091 1.00 0.00 C ATOM 865 O THR A 56 -9.476 6.872 -6.743 1.00 0.00 O ATOM 866 CB THR A 56 -9.156 8.022 -4.033 1.00 0.00 C ATOM 867 OG1 THR A 56 -8.605 8.666 -2.887 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.198 7.039 -3.495 1.00 0.00 C ATOM 0 H THR A 56 -7.384 9.199 -5.639 1.00 0.00 H new ATOM 0 HA THR A 56 -7.612 6.602 -4.135 1.00 0.00 H new ATOM 0 HB THR A 56 -9.632 8.713 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.321 9.104 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.964 7.586 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.659 6.506 -4.327 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.714 6.324 -2.829 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.048 1.255 -5.622 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.038 2.303 -5.311 1.00 0.00 C ATOM 1097 C LYS A 70 -4.787 3.527 -4.690 1.00 0.00 C ATOM 1098 O LYS A 70 -5.140 4.492 -5.376 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.259 2.656 -6.605 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.124 1.659 -6.908 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.435 1.932 -8.253 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.037 1.293 -8.407 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.063 -0.193 -8.291 1.00 0.00 N ATOM 0 HA LYS A 70 -3.301 1.959 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.952 2.678 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.841 3.658 -6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.383 1.705 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.527 0.646 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.076 1.566 -9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.343 3.010 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.379 1.570 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.629 1.700 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.901 -0.567 -8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.433 -0.462 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.675 -0.588 -9.033 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.059 3.409 -3.383 1.00 0.00 N ATOM 1118 CA ASN A 71 -5.752 4.443 -2.579 1.00 0.00 C ATOM 1119 C ASN A 71 -4.722 5.076 -1.595 1.00 0.00 C ATOM 1120 O ASN A 71 -4.391 4.492 -0.558 1.00 0.00 O ATOM 1121 CB ASN A 71 -6.947 3.813 -1.820 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.283 3.682 -2.544 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.337 3.806 -1.933 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.349 3.411 -3.825 1.00 0.00 N ATOM 0 H ASN A 71 -4.803 2.584 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.152 5.224 -3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.646 2.816 -1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.115 4.403 -0.919 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.257 3.311 -4.279 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.492 3.301 -4.368 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.199 6.250 -1.969 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.138 6.950 -1.203 1.00 0.00 C ATOM 1133 C PHE A 72 -3.173 8.475 -1.534 1.00 0.00 C ATOM 1134 O PHE A 72 -2.610 8.912 -2.543 1.00 0.00 O ATOM 1135 CB PHE A 72 -1.773 6.288 -1.533 1.00 0.00 C ATOM 1136 CG PHE A 72 -0.709 6.417 -0.439 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -0.796 5.632 0.724 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.436 7.200 -0.640 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.246 5.619 1.652 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.476 7.189 0.292 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.382 6.393 1.432 1.00 0.00 C ATOM 0 H PHE A 72 -4.493 6.748 -2.809 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.300 6.860 -0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.939 5.230 -1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.384 6.730 -2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.677 5.033 0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.515 7.817 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.171 5.009 2.540 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.353 7.797 0.129 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.192 6.377 2.146 1.00 0.00 H new ATOM 1151 N THR A 73 -3.826 9.276 -0.676 1.00 0.00 N ATOM 1152 CA THR A 73 -3.741 10.765 -0.737 1.00 0.00 C ATOM 1153 C THR A 73 -2.673 11.233 0.291 1.00 0.00 C ATOM 1154 O THR A 73 -2.925 11.265 1.498 1.00 0.00 O ATOM 1155 CB THR A 73 -5.136 11.414 -0.543 1.00 0.00 C ATOM 1156 OG1 THR A 73 -5.953 11.122 -1.673 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.094 12.938 -0.463 1.00 0.00 C ATOM 0 H THR A 73 -4.423 8.927 0.074 1.00 0.00 H new ATOM 0 HA THR A 73 -3.419 11.097 -1.724 1.00 0.00 H new ATOM 0 HB THR A 73 -5.519 11.009 0.394 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.135 11.948 -2.167 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.105 13.323 -0.327 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.474 13.241 0.380 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.674 13.339 -1.385 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.484 11.591 -0.201 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.326 11.972 0.661 1.00 0.00 C ATOM 1167 C VAL A 74 0.075 13.453 0.442 1.00 0.00 C ATOM 1168 O VAL A 74 0.281 13.912 -0.685 1.00 0.00 O ATOM 1169 CB VAL A 74 0.823 10.932 0.552 1.00 0.00 C ATOM 1170 CG1 VAL A 74 1.375 10.714 -0.854 1.00 0.00 C ATOM 1171 CG2 VAL A 74 2.019 11.254 1.475 1.00 0.00 C ATOM 0 H VAL A 74 -1.282 11.630 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.622 11.931 1.709 1.00 0.00 H new ATOM 0 HB VAL A 74 0.328 10.014 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.171 9.971 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.577 10.362 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.771 11.654 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.788 10.491 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.430 12.229 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.684 11.269 2.512 1.00 0.00 H new ATOM 1181 N PHE A 75 0.170 14.185 1.557 1.00 0.00 N ATOM 1182 CA PHE A 75 0.233 15.659 1.568 1.00 0.00 C ATOM 1183 C PHE A 75 1.691 16.171 1.640 1.00 0.00 C ATOM 1184 O PHE A 75 2.496 15.704 2.452 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.607 16.193 2.764 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.126 16.009 2.574 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.873 16.941 1.837 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.777 14.876 3.087 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.237 16.741 1.613 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.140 14.678 2.867 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.868 15.612 2.133 1.00 0.00 C ATOM 0 H PHE A 75 0.206 13.771 2.489 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.183 16.035 0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.297 15.680 3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.391 17.252 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.389 17.821 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.217 14.150 3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.802 17.460 1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.630 13.802 3.265 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.924 15.461 1.966 1.00 0.00 H new ATOM 1201 N PHE A 76 2.003 17.148 0.786 1.00 0.00 N ATOM 1202 CA PHE A 76 3.354 17.744 0.690 1.00 0.00 C ATOM 1203 C PHE A 76 3.255 19.306 0.741 1.00 0.00 C ATOM 1204 O PHE A 76 2.276 19.896 0.270 1.00 0.00 O ATOM 1205 CB PHE A 76 4.075 17.324 -0.620 1.00 0.00 C ATOM 1206 CG PHE A 76 4.189 15.820 -0.887 1.00 0.00 C ATOM 1207 CD1 PHE A 76 5.081 14.996 -0.180 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.346 15.234 -1.832 1.00 0.00 C ATOM 1209 CE1 PHE A 76 5.087 13.616 -0.392 1.00 0.00 C ATOM 1210 CE2 PHE A 76 3.361 13.859 -2.045 1.00 0.00 C ATOM 1211 CZ PHE A 76 4.217 13.048 -1.314 1.00 0.00 C ATOM 0 H PHE A 76 1.330 17.555 0.136 1.00 0.00 H new ATOM 0 HA PHE A 76 3.935 17.376 1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.550 17.780 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.080 17.745 -0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.766 15.433 0.532 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.674 15.855 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.770 12.989 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.704 13.422 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.207 11.978 -1.461 1.00 0.00 H new ATOM 1221 N GLU A 77 4.307 19.964 1.249 1.00 0.00 N ATOM 1222 CA GLU A 77 4.447 21.455 1.152 1.00 0.00 C ATOM 1223 C GLU A 77 4.654 21.913 -0.332 1.00 0.00 C ATOM 1224 O GLU A 77 3.739 22.448 -0.961 1.00 0.00 O ATOM 1225 CB GLU A 77 5.576 21.818 2.140 1.00 0.00 C ATOM 1226 CG GLU A 77 5.924 23.312 2.246 1.00 0.00 C ATOM 1227 CD GLU A 77 7.178 23.544 3.077 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.284 23.216 2.594 1.00 0.00 O ATOM 1229 OE2 GLU A 77 7.067 24.038 4.217 1.00 0.00 O ATOM 0 H GLU A 77 5.079 19.505 1.732 1.00 0.00 H new ATOM 0 HA GLU A 77 3.547 22.000 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.294 21.460 3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.475 21.276 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.069 23.723 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.087 23.849 2.693 1.00 0.00 H new ATOM 1236 N ASN A 78 5.818 21.583 -0.904 1.00 0.00 N ATOM 1237 CA ASN A 78 5.900 21.152 -2.325 1.00 0.00 C ATOM 1238 C ASN A 78 6.501 19.714 -2.361 1.00 0.00 C ATOM 1239 O ASN A 78 5.798 18.797 -2.783 1.00 0.00 O ATOM 1240 CB ASN A 78 6.632 22.204 -3.180 1.00 0.00 C ATOM 1241 CG ASN A 78 6.528 21.951 -4.684 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.925 20.912 -5.202 1.00 0.00 O ATOM 1243 ND2 ASN A 78 6.003 22.879 -5.446 1.00 0.00 N ATOM 0 H ASN A 78 6.715 21.602 -0.419 1.00 0.00 H new ATOM 0 HA ASN A 78 4.915 21.091 -2.787 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.223 23.190 -2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.684 22.223 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.930 22.731 -6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.668 23.749 -5.032 1.00 0.00 H new ATOM 1250 N GLU A 79 7.749 19.510 -1.907 1.00 0.00 N ATOM 1251 CA GLU A 79 8.353 18.160 -1.774 1.00 0.00 C ATOM 1252 C GLU A 79 8.248 17.527 -0.349 1.00 0.00 C ATOM 1253 O GLU A 79 8.005 16.322 -0.272 1.00 0.00 O ATOM 1254 CB GLU A 79 9.825 18.198 -2.265 1.00 0.00 C ATOM 1255 CG GLU A 79 10.025 18.145 -3.792 1.00 0.00 C ATOM 1256 CD GLU A 79 9.458 16.936 -4.519 1.00 0.00 C ATOM 1257 OE1 GLU A 79 9.854 15.781 -4.247 1.00 0.00 O ATOM 1258 OE2 GLU A 79 8.583 17.141 -5.385 1.00 0.00 O ATOM 0 H GLU A 79 8.370 20.267 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 79 7.760 17.499 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.290 19.109 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.359 17.359 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.578 19.041 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.095 18.192 -3.996 1.00 0.00 H new ATOM 1265 N GLN A 80 8.448 18.269 0.759 1.00 0.00 N ATOM 1266 CA GLN A 80 8.534 17.649 2.113 1.00 0.00 C ATOM 1267 C GLN A 80 7.173 17.152 2.676 1.00 0.00 C ATOM 1268 O GLN A 80 6.149 17.832 2.550 1.00 0.00 O ATOM 1269 CB GLN A 80 9.330 18.525 3.103 1.00 0.00 C ATOM 1270 CG GLN A 80 8.711 19.864 3.544 1.00 0.00 C ATOM 1271 CD GLN A 80 9.520 20.564 4.636 1.00 0.00 C ATOM 1272 OE1 GLN A 80 9.936 19.974 5.629 1.00 0.00 O ATOM 1273 NE2 GLN A 80 9.751 21.849 4.526 1.00 0.00 N ATOM 0 H GLN A 80 8.553 19.284 0.753 1.00 0.00 H new ATOM 0 HA GLN A 80 9.110 16.733 1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.516 17.932 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.301 18.738 2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.631 20.523 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.698 19.688 3.906 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.415 22.360 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.267 22.339 5.257 1.00 0.00 H new ATOM 1282 N VAL A 81 7.172 15.942 3.259 1.00 0.00 N ATOM 1283 CA VAL A 81 5.914 15.186 3.525 1.00 0.00 C ATOM 1284 C VAL A 81 5.258 15.617 4.880 1.00 0.00 C ATOM 1285 O VAL A 81 5.901 15.595 5.933 1.00 0.00 O ATOM 1286 CB VAL A 81 6.100 13.622 3.507 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.749 12.920 3.229 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.152 13.070 2.528 1.00 0.00 C ATOM 0 H VAL A 81 8.019 15.459 3.558 1.00 0.00 H new ATOM 0 HA VAL A 81 5.251 15.444 2.699 1.00 0.00 H new ATOM 0 HB VAL A 81 6.481 13.398 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.895 11.840 3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.035 13.183 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.364 13.242 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.188 11.983 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.884 13.351 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.130 13.484 2.773 1.00 0.00 H new ATOM 1298 N VAL A 82 3.963 15.943 4.824 1.00 0.00 N ATOM 1299 CA VAL A 82 3.139 16.250 6.027 1.00 0.00 C ATOM 1300 C VAL A 82 2.515 14.923 6.581 1.00 0.00 C ATOM 1301 O VAL A 82 2.915 14.491 7.664 1.00 0.00 O ATOM 1302 CB VAL A 82 2.106 17.381 5.706 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.211 17.738 6.913 1.00 0.00 C ATOM 1304 CG2 VAL A 82 2.777 18.702 5.250 1.00 0.00 C ATOM 0 H VAL A 82 3.444 16.005 3.948 1.00 0.00 H new ATOM 0 HA VAL A 82 3.755 16.652 6.831 1.00 0.00 H new ATOM 0 HB VAL A 82 1.507 16.960 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.516 18.528 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.651 16.856 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.834 18.082 7.739 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.009 19.447 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.434 19.068 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.361 18.521 4.347 1.00 0.00 H new ATOM 1314 N ARG A 83 1.563 14.285 5.867 1.00 0.00 N ATOM 1315 CA ARG A 83 1.005 12.965 6.269 1.00 0.00 C ATOM 1316 C ARG A 83 0.345 12.194 5.072 1.00 0.00 C ATOM 1317 O ARG A 83 -0.048 12.790 4.065 1.00 0.00 O ATOM 1318 CB ARG A 83 0.047 13.072 7.490 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.316 13.751 7.253 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.400 13.347 8.270 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.800 11.930 8.055 1.00 0.00 N ATOM 1322 CZ ARG A 83 -4.024 11.477 7.812 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.099 12.222 7.808 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.155 10.212 7.550 1.00 0.00 N ATOM 0 H ARG A 83 1.161 14.659 5.007 1.00 0.00 H new ATOM 0 HA ARG A 83 1.858 12.366 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.137 12.065 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.564 13.617 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.183 14.832 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.664 13.505 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.024 13.477 9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.268 13.998 8.166 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.056 11.234 8.099 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.028 13.221 8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.009 11.804 7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.334 9.606 7.537 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.079 9.824 7.358 1.00 0.00 H new ATOM 1338 N TRP A 84 0.183 10.873 5.230 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.518 10.002 4.250 1.00 0.00 C ATOM 1340 C TRP A 84 -1.926 9.553 4.746 1.00 0.00 C ATOM 1341 O TRP A 84 -2.075 9.033 5.857 1.00 0.00 O ATOM 1342 CB TRP A 84 0.345 8.817 3.760 1.00 0.00 C ATOM 1343 CG TRP A 84 1.256 8.042 4.743 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.053 6.735 5.254 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.528 8.414 5.198 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.129 6.318 6.054 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.030 7.359 6.000 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.348 9.565 4.937 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.341 7.446 6.554 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.617 9.629 5.499 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.106 8.582 6.301 1.00 0.00 C ATOM 0 H TRP A 84 0.533 10.367 6.043 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.686 10.625 3.372 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.333 8.091 3.311 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.983 9.194 2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.178 6.134 5.053 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.223 5.439 6.563 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.983 10.368 4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.735 6.644 7.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.237 10.495 5.318 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.094 8.661 6.729 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.941 9.758 3.892 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.322 9.259 4.100 1.00 0.00 C ATOM 1364 C GLU A 85 -4.617 8.144 3.051 1.00 0.00 C ATOM 1365 O GLU A 85 -4.860 8.419 1.869 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.281 10.473 3.964 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.728 10.226 4.446 1.00 0.00 C ATOM 1368 CD GLU A 85 -6.886 10.239 5.954 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -6.501 9.255 6.618 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -7.260 11.289 6.516 1.00 0.00 O ATOM 0 H GLU A 85 -2.831 10.282 3.024 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.458 8.817 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.865 11.309 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.311 10.777 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.378 10.988 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.068 9.264 4.064 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.567 6.881 3.483 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.861 5.735 2.602 1.00 0.00 C ATOM 1379 C GLY A 86 -4.295 4.392 3.081 1.00 0.00 C ATOM 1380 O GLY A 86 -4.054 4.176 4.271 1.00 0.00 O ATOM 0 H GLY A 86 -4.326 6.620 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.942 5.642 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.464 5.947 1.609 1.00 0.00 H new ATOM 1384 N ASP A 87 -4.149 3.473 2.123 1.00 0.00 N ATOM 1385 CA ASP A 87 -3.860 2.050 2.404 1.00 0.00 C ATOM 1386 C ASP A 87 -2.898 1.434 1.325 1.00 0.00 C ATOM 1387 O ASP A 87 -1.853 0.902 1.701 1.00 0.00 O ATOM 1388 CB ASP A 87 -5.164 1.211 2.456 1.00 0.00 C ATOM 1389 CG ASP A 87 -6.051 1.374 3.675 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -5.567 1.230 4.817 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -7.286 1.505 3.501 1.00 0.00 O ATOM 0 H ASP A 87 -4.226 3.687 1.129 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.371 2.016 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.756 1.454 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.891 0.159 2.377 1.00 0.00 H new ATOM 1396 N TYR A 88 -3.309 1.439 0.032 1.00 0.00 N ATOM 1397 CA TYR A 88 -2.859 0.459 -0.990 1.00 0.00 C ATOM 1398 C TYR A 88 -3.319 -1.012 -0.642 1.00 0.00 C ATOM 1399 O TYR A 88 -2.726 -1.653 0.229 1.00 0.00 O ATOM 1400 CB TYR A 88 -1.357 0.454 -1.302 1.00 0.00 C ATOM 1401 CG TYR A 88 -0.764 1.614 -2.077 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -0.201 2.699 -1.394 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -0.493 1.459 -3.443 1.00 0.00 C ATOM 1404 CE1 TYR A 88 0.676 3.567 -2.050 1.00 0.00 C ATOM 1405 CE2 TYR A 88 0.377 2.332 -4.096 1.00 0.00 C ATOM 1406 CZ TYR A 88 0.977 3.374 -3.397 1.00 0.00 C ATOM 1407 OH TYR A 88 1.948 4.107 -4.005 1.00 0.00 O ATOM 0 H TYR A 88 -3.967 2.128 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.354 0.812 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.824 0.385 -0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.139 -0.458 -1.857 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.446 2.866 -0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.961 0.657 -3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.122 4.390 -1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.585 2.198 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 88 2.389 3.562 -4.690 1.00 0.00 H new ATOM 1667 N GLY A 105 -13.891 -12.559 -2.751 1.00 0.00 N ATOM 1668 CA GLY A 105 -15.306 -12.859 -3.100 1.00 0.00 C ATOM 1669 C GLY A 105 -15.933 -11.841 -4.075 1.00 0.00 C ATOM 1670 O GLY A 105 -15.950 -12.052 -5.288 1.00 0.00 O ATOM 0 HA2 GLY A 105 -15.359 -13.853 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -15.899 -12.886 -2.186 1.00 0.00 H new ATOM 1674 N ARG A 106 -16.344 -10.691 -3.515 1.00 0.00 N ATOM 1675 CA ARG A 106 -16.398 -9.418 -4.283 1.00 0.00 C ATOM 1676 C ARG A 106 -14.954 -8.890 -4.561 1.00 0.00 C ATOM 1677 O ARG A 106 -14.141 -8.797 -3.634 1.00 0.00 O ATOM 1678 CB ARG A 106 -17.326 -8.391 -3.586 1.00 0.00 C ATOM 1679 CG ARG A 106 -16.842 -7.616 -2.348 1.00 0.00 C ATOM 1680 CD ARG A 106 -16.843 -8.385 -1.021 1.00 0.00 C ATOM 1681 NE ARG A 106 -16.230 -7.557 0.053 1.00 0.00 N ATOM 1682 CZ ARG A 106 -14.928 -7.474 0.317 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -14.009 -8.221 -0.230 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -14.554 -6.578 1.172 1.00 0.00 N ATOM 0 H ARG A 106 -16.643 -10.608 -2.543 1.00 0.00 H new ATOM 0 HA ARG A 106 -16.846 -9.598 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -17.611 -7.653 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -18.234 -8.921 -3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -15.828 -7.265 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -17.469 -6.732 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -17.864 -8.651 -0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -16.290 -9.317 -1.132 1.00 0.00 H new ATOM 0 HE ARG A 106 -16.861 -7.007 0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -14.270 -8.931 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.030 -8.095 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -15.247 -5.972 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.566 -6.477 1.406 1.00 0.00 H new ATOM 1698 N ASN A 107 -14.624 -8.608 -5.831 1.00 0.00 N ATOM 1699 CA ASN A 107 -13.199 -8.461 -6.267 1.00 0.00 C ATOM 1700 C ASN A 107 -12.549 -7.086 -5.903 1.00 0.00 C ATOM 1701 O ASN A 107 -12.355 -6.203 -6.741 1.00 0.00 O ATOM 1702 CB ASN A 107 -13.160 -8.832 -7.771 1.00 0.00 C ATOM 1703 CG ASN A 107 -11.772 -9.161 -8.310 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -11.018 -9.937 -7.736 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -11.394 -8.625 -9.443 1.00 0.00 N ATOM 0 H ASN A 107 -15.306 -8.476 -6.578 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.558 -9.141 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.812 -9.690 -7.937 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -13.571 -8.003 -8.347 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.482 -8.855 -9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -12.012 -7.977 -9.932 1.00 0.00 H new ATOM 1712 N LEU A 108 -12.204 -6.970 -4.619 1.00 0.00 N ATOM 1713 CA LEU A 108 -11.638 -5.775 -3.962 1.00 0.00 C ATOM 1714 C LEU A 108 -11.356 -6.140 -2.454 1.00 0.00 C ATOM 1715 O LEU A 108 -11.909 -7.092 -1.890 1.00 0.00 O ATOM 1716 CB LEU A 108 -12.452 -4.471 -4.151 1.00 0.00 C ATOM 1717 CG LEU A 108 -13.967 -4.461 -3.871 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -14.320 -4.555 -2.387 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -14.573 -3.156 -4.432 1.00 0.00 C ATOM 0 H LEU A 108 -12.316 -7.747 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.703 -5.520 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.000 -3.711 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.311 -4.147 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.377 -5.347 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -15.404 -4.542 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.921 -5.483 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.887 -3.707 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -15.646 -3.140 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.104 -2.299 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -14.398 -3.106 -5.507 1.00 0.00 H new ATOM 1731 N ALA A 109 -10.483 -5.367 -1.808 1.00 0.00 N ATOM 1732 CA ALA A 109 -10.058 -5.628 -0.407 1.00 0.00 C ATOM 1733 C ALA A 109 -11.077 -5.141 0.668 1.00 0.00 C ATOM 1734 O ALA A 109 -11.830 -5.977 1.179 1.00 0.00 O ATOM 1735 CB ALA A 109 -8.635 -5.085 -0.271 1.00 0.00 C ATOM 0 H ALA A 109 -10.046 -4.545 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 109 -10.047 -6.698 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.277 -5.254 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.981 -5.598 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.632 -4.016 -0.484 1.00 0.00 H new ATOM 1741 N ARG A 110 -11.145 -3.832 0.990 1.00 0.00 N ATOM 1742 CA ARG A 110 -12.212 -3.275 1.864 1.00 0.00 C ATOM 1743 C ARG A 110 -13.352 -2.652 0.991 1.00 0.00 C ATOM 1744 O ARG A 110 -13.112 -1.760 0.172 1.00 0.00 O ATOM 1745 CB ARG A 110 -11.680 -2.193 2.856 1.00 0.00 C ATOM 1746 CG ARG A 110 -10.846 -2.760 4.019 1.00 0.00 C ATOM 1747 CD ARG A 110 -10.702 -1.834 5.241 1.00 0.00 C ATOM 1748 NE ARG A 110 -9.794 -0.669 5.060 1.00 0.00 N ATOM 1749 CZ ARG A 110 -9.404 0.150 6.042 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -9.852 0.070 7.270 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -8.537 1.083 5.792 1.00 0.00 N ATOM 0 H ARG A 110 -10.476 -3.137 0.660 1.00 0.00 H new ATOM 0 HA ARG A 110 -12.595 -4.107 2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.072 -1.477 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.527 -1.643 3.265 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.298 -3.697 4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -9.850 -3.000 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -11.690 -1.463 5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.342 -2.426 6.083 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.444 -0.482 4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.535 -0.646 7.518 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.518 0.723 7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.158 1.188 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.235 1.711 6.537 1.00 0.00 H new ATOM 1765 N ASP A 111 -14.586 -3.114 1.216 1.00 0.00 N ATOM 1766 CA ASP A 111 -15.807 -2.489 0.655 1.00 0.00 C ATOM 1767 C ASP A 111 -16.297 -1.263 1.486 1.00 0.00 C ATOM 1768 O ASP A 111 -16.104 -1.175 2.704 1.00 0.00 O ATOM 1769 CB ASP A 111 -16.894 -3.563 0.421 1.00 0.00 C ATOM 1770 CG ASP A 111 -17.415 -4.348 1.610 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -16.822 -5.398 1.949 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -18.434 -3.958 2.216 1.00 0.00 O ATOM 0 H ASP A 111 -14.776 -3.934 1.793 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.559 -2.066 -0.318 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -17.746 -3.073 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.500 -4.279 -0.300 1.00 0.00 H new ATOM 1777 N LYS A 112 -16.966 -0.319 0.805 1.00 0.00 N ATOM 1778 CA LYS A 112 -17.506 0.916 1.450 1.00 0.00 C ATOM 1779 C LYS A 112 -18.905 0.625 2.081 1.00 0.00 C ATOM 1780 O LYS A 112 -19.962 1.000 1.569 1.00 0.00 O ATOM 1781 CB LYS A 112 -17.488 2.041 0.388 1.00 0.00 C ATOM 1782 CG LYS A 112 -17.422 3.486 0.922 1.00 0.00 C ATOM 1783 CD LYS A 112 -18.703 3.999 1.596 1.00 0.00 C ATOM 1784 CE LYS A 112 -18.587 5.486 1.972 1.00 0.00 C ATOM 1785 NZ LYS A 112 -19.844 5.933 2.634 1.00 0.00 N ATOM 0 H LYS A 112 -17.153 -0.377 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 112 -16.893 1.251 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -16.632 1.879 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -18.383 1.945 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -16.603 3.553 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -17.177 4.150 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -19.550 3.858 0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -18.904 3.411 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -17.739 5.638 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -18.401 6.084 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -19.764 6.938 2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -20.645 5.803 1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -20.002 5.370 3.494 1.00 0.00 H new