USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 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 56 THR OG1 : rot -8:sc= 0.896 USER MOD Set 1.2: A 71 ASN : amide:sc= 1.07 K(o=2,f=0.13) USER MOD Set 2.1: A 49 HIS : no HD1:sc= 0.2 K(o=0.42,f=-0.3) USER MOD Set 2.2: A 51 GLN : amide:sc= 0.224 K(o=0.42,f=-0.3) USER MOD Set 3.1: A 33 GLN : amide:sc= 0.969 K(o=2.2,f=0.24) USER MOD Set 3.2: A 43 SER OG : rot 179:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0423) USER MOD Single : A 20 GLN : amide:sc= 0.673 K(o=0.67,f=-0.092) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.7 K(o=0.7,f=-0.094) USER MOD Single : A 30 GLN : amide:sc= 0.00628 X(o=0.0063,f=0) USER MOD Single : A 31 SER OG : rot 65:sc= 0.812 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= 1.36 (180deg=1.23) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 84:sc= 1.28 USER MOD Single : A 41 THR OG1 : rot -13:sc= 0.992 USER MOD Single : A 55 TYR OH : rot 142:sc= 1.21 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 1.06 (180deg=1.06) USER MOD Single : A 73 THR OG1 : rot -86:sc= 1.06 USER MOD Single : A 78 ASN : amide:sc= 1.44 K(o=1.4,f=-4.6!) USER MOD Single : A 80 GLN : amide:sc= 0.0194 X(o=0.019,f=0) USER MOD Single : A 88 TYR OH : rot 165:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.38 K(o=1.4,f=-3.1!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 3.326 -2.602 0.114 1.00 0.00 N ATOM 265 CA ILE A 18 1.977 -2.063 0.489 1.00 0.00 C ATOM 266 C ILE A 18 1.450 -2.777 1.761 1.00 0.00 C ATOM 267 O ILE A 18 0.615 -3.676 1.689 1.00 0.00 O ATOM 268 CB ILE A 18 1.062 -2.138 -0.779 1.00 0.00 C ATOM 269 CG1 ILE A 18 1.517 -1.121 -1.872 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.457 -1.976 -0.547 1.00 0.00 C ATOM 271 CD1 ILE A 18 1.282 0.347 -1.535 1.00 0.00 C ATOM 0 HA ILE A 18 2.007 -1.013 0.779 1.00 0.00 H new ATOM 0 HB ILE A 18 1.199 -3.167 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.580 -1.268 -2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.994 -1.352 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.980 -2.047 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.809 -2.763 0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.655 -1.003 -0.096 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.632 0.970 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.217 0.518 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.828 0.604 -0.628 1.00 0.00 H new ATOM 283 N LYS A 19 1.950 -2.358 2.934 1.00 0.00 N ATOM 284 CA LYS A 19 1.522 -2.915 4.241 1.00 0.00 C ATOM 285 C LYS A 19 1.661 -1.794 5.303 1.00 0.00 C ATOM 286 O LYS A 19 2.782 -1.396 5.636 1.00 0.00 O ATOM 287 CB LYS A 19 2.341 -4.161 4.680 1.00 0.00 C ATOM 288 CG LYS A 19 2.145 -5.371 3.757 1.00 0.00 C ATOM 289 CD LYS A 19 2.539 -6.718 4.376 1.00 0.00 C ATOM 290 CE LYS A 19 4.042 -7.022 4.459 1.00 0.00 C ATOM 291 NZ LYS A 19 4.604 -7.222 3.095 1.00 0.00 N ATOM 0 H LYS A 19 2.658 -1.628 3.011 1.00 0.00 H new ATOM 0 HA LYS A 19 0.491 -3.253 4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.399 -3.901 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.055 -4.437 5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.098 -5.416 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.730 -5.218 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.126 -6.764 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.062 -7.511 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.559 -6.201 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.207 -7.915 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.596 -7.526 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.055 -7.951 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.555 -6.329 2.565 1.00 0.00 H new ATOM 305 N GLN A 20 0.542 -1.275 5.828 1.00 0.00 N ATOM 306 CA GLN A 20 0.568 -0.026 6.641 1.00 0.00 C ATOM 307 C GLN A 20 1.353 -0.046 7.979 1.00 0.00 C ATOM 308 O GLN A 20 1.912 0.990 8.329 1.00 0.00 O ATOM 309 CB GLN A 20 -0.860 0.549 6.756 1.00 0.00 C ATOM 310 CG GLN A 20 -0.865 2.042 7.163 1.00 0.00 C ATOM 311 CD GLN A 20 -2.240 2.661 7.337 1.00 0.00 C ATOM 312 OE1 GLN A 20 -3.173 2.076 7.882 1.00 0.00 O ATOM 313 NE2 GLN A 20 -2.380 3.893 6.921 1.00 0.00 N ATOM 0 H GLN A 20 -0.385 -1.685 5.713 1.00 0.00 H new ATOM 0 HA GLN A 20 1.197 0.663 6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.373 0.434 5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.422 -0.027 7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.315 2.149 8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.322 2.610 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.600 4.371 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.269 4.376 7.048 1.00 0.00 H new ATOM 322 N ASN A 21 1.494 -1.170 8.691 1.00 0.00 N ATOM 323 CA ASN A 21 2.469 -1.254 9.822 1.00 0.00 C ATOM 324 C ASN A 21 3.996 -1.211 9.429 1.00 0.00 C ATOM 325 O ASN A 21 4.807 -0.896 10.297 1.00 0.00 O ATOM 326 CB ASN A 21 2.100 -2.482 10.682 1.00 0.00 C ATOM 327 CG ASN A 21 2.404 -2.356 12.169 1.00 0.00 C ATOM 328 OD1 ASN A 21 1.515 -2.145 12.987 1.00 0.00 O ATOM 329 ND2 ASN A 21 3.641 -2.487 12.587 1.00 0.00 N ATOM 0 H ASN A 21 0.965 -2.025 8.522 1.00 0.00 H new ATOM 0 HA ASN A 21 2.369 -0.336 10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.035 -2.681 10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.632 -3.350 10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.854 -2.413 13.582 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.390 -2.663 11.917 1.00 0.00 H new ATOM 336 N ALA A 22 4.374 -1.471 8.166 1.00 0.00 N ATOM 337 CA ALA A 22 5.659 -0.984 7.598 1.00 0.00 C ATOM 338 C ALA A 22 5.603 0.462 6.987 1.00 0.00 C ATOM 339 O ALA A 22 6.516 1.248 7.239 1.00 0.00 O ATOM 340 CB ALA A 22 6.117 -2.015 6.554 1.00 0.00 C ATOM 0 H ALA A 22 3.812 -2.016 7.512 1.00 0.00 H new ATOM 0 HA ALA A 22 6.375 -0.892 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.060 -1.692 6.113 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.254 -2.984 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.362 -2.102 5.773 1.00 0.00 H new ATOM 346 N VAL A 23 4.559 0.809 6.211 1.00 0.00 N ATOM 347 CA VAL A 23 4.420 2.153 5.559 1.00 0.00 C ATOM 348 C VAL A 23 4.179 3.345 6.545 1.00 0.00 C ATOM 349 O VAL A 23 4.640 4.445 6.250 1.00 0.00 O ATOM 350 CB VAL A 23 3.359 2.121 4.409 1.00 0.00 C ATOM 351 CG1 VAL A 23 3.228 3.452 3.628 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.658 1.046 3.341 1.00 0.00 C ATOM 0 H VAL A 23 3.783 0.178 6.010 1.00 0.00 H new ATOM 0 HA VAL A 23 5.398 2.358 5.123 1.00 0.00 H new ATOM 0 HB VAL A 23 2.437 1.906 4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.473 3.344 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.933 4.248 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.186 3.702 3.172 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.887 1.074 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.630 1.243 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.668 0.061 3.809 1.00 0.00 H new ATOM 362 N GLU A 24 3.507 3.166 7.685 1.00 0.00 N ATOM 363 CA GLU A 24 3.547 4.145 8.806 1.00 0.00 C ATOM 364 C GLU A 24 4.900 4.143 9.603 1.00 0.00 C ATOM 365 O GLU A 24 5.477 5.206 9.841 1.00 0.00 O ATOM 366 CB GLU A 24 2.298 3.878 9.680 1.00 0.00 C ATOM 367 CG GLU A 24 1.557 5.119 10.202 1.00 0.00 C ATOM 368 CD GLU A 24 2.332 6.101 11.043 1.00 0.00 C ATOM 369 OE1 GLU A 24 2.476 5.865 12.260 1.00 0.00 O ATOM 370 OE2 GLU A 24 2.775 7.136 10.499 1.00 0.00 O ATOM 0 H GLU A 24 2.922 2.351 7.869 1.00 0.00 H new ATOM 0 HA GLU A 24 3.513 5.162 8.415 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.596 3.279 9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.601 3.275 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.158 5.657 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.704 4.777 10.788 1.00 0.00 H new ATOM 377 N GLN A 25 5.436 2.953 9.937 1.00 0.00 N ATOM 378 CA GLN A 25 6.754 2.803 10.617 1.00 0.00 C ATOM 379 C GLN A 25 8.013 3.346 9.876 1.00 0.00 C ATOM 380 O GLN A 25 8.928 3.802 10.567 1.00 0.00 O ATOM 381 CB GLN A 25 6.872 1.309 11.000 1.00 0.00 C ATOM 382 CG GLN A 25 8.042 0.945 11.935 1.00 0.00 C ATOM 383 CD GLN A 25 8.055 -0.536 12.299 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.569 -1.380 11.574 1.00 0.00 O ATOM 385 NE2 GLN A 25 7.501 -0.909 13.428 1.00 0.00 N ATOM 0 H GLN A 25 4.974 2.064 9.747 1.00 0.00 H new ATOM 0 HA GLN A 25 6.754 3.460 11.487 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.942 1.001 11.477 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.969 0.726 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.984 1.206 11.453 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.974 1.540 12.846 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.070 -0.215 14.039 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.501 -1.893 13.695 1.00 0.00 H new ATOM 394 N LEU A 26 8.068 3.361 8.529 1.00 0.00 N ATOM 395 CA LEU A 26 9.107 4.128 7.777 1.00 0.00 C ATOM 396 C LEU A 26 9.313 5.630 8.151 1.00 0.00 C ATOM 397 O LEU A 26 10.457 6.085 8.168 1.00 0.00 O ATOM 398 CB LEU A 26 9.015 3.855 6.250 1.00 0.00 C ATOM 399 CG LEU A 26 7.762 4.266 5.459 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.638 5.750 5.101 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.699 3.480 4.129 1.00 0.00 C ATOM 0 H LEU A 26 7.412 2.856 7.933 1.00 0.00 H new ATOM 0 HA LEU A 26 10.048 3.715 8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.867 4.349 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.149 2.783 6.106 1.00 0.00 H new ATOM 0 HG LEU A 26 6.944 4.038 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.715 5.914 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.622 6.345 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.489 6.049 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.809 3.776 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.587 3.698 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.657 2.411 4.340 1.00 0.00 H new ATOM 413 N GLN A 27 8.223 6.359 8.446 1.00 0.00 N ATOM 414 CA GLN A 27 8.230 7.782 8.883 1.00 0.00 C ATOM 415 C GLN A 27 9.182 8.782 8.148 1.00 0.00 C ATOM 416 O GLN A 27 9.960 9.513 8.766 1.00 0.00 O ATOM 417 CB GLN A 27 8.259 7.813 10.432 1.00 0.00 C ATOM 418 CG GLN A 27 7.457 8.969 11.073 1.00 0.00 C ATOM 419 CD GLN A 27 5.946 8.918 10.836 1.00 0.00 C ATOM 420 OE1 GLN A 27 5.414 9.609 9.974 1.00 0.00 O ATOM 421 NE2 GLN A 27 5.226 8.084 11.550 1.00 0.00 N ATOM 0 H GLN A 27 7.281 5.971 8.388 1.00 0.00 H new ATOM 0 HA GLN A 27 7.299 8.225 8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.869 6.867 10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.296 7.883 10.761 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.641 8.967 12.147 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.838 9.914 10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.671 7.510 12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.222 8.010 11.388 1.00 0.00 H new ATOM 430 N VAL A 28 9.089 8.799 6.808 1.00 0.00 N ATOM 431 CA VAL A 28 10.019 9.558 5.928 1.00 0.00 C ATOM 432 C VAL A 28 9.332 10.893 5.491 1.00 0.00 C ATOM 433 O VAL A 28 8.269 10.879 4.864 1.00 0.00 O ATOM 434 CB VAL A 28 10.419 8.685 4.682 1.00 0.00 C ATOM 435 CG1 VAL A 28 11.349 9.434 3.696 1.00 0.00 C ATOM 436 CG2 VAL A 28 11.159 7.381 5.062 1.00 0.00 C ATOM 0 H VAL A 28 8.369 8.289 6.295 1.00 0.00 H new ATOM 0 HA VAL A 28 10.934 9.797 6.471 1.00 0.00 H new ATOM 0 HB VAL A 28 9.460 8.458 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.591 8.782 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.845 10.327 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 28 12.267 9.721 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.406 6.826 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.075 7.626 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.518 6.771 5.698 1.00 0.00 H new ATOM 446 N GLY A 29 9.999 12.022 5.765 1.00 0.00 N ATOM 447 CA GLY A 29 9.583 13.349 5.263 1.00 0.00 C ATOM 448 C GLY A 29 10.610 13.946 4.292 1.00 0.00 C ATOM 449 O GLY A 29 11.337 14.864 4.668 1.00 0.00 O ATOM 0 H GLY A 29 10.841 12.047 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.619 13.261 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.443 14.027 6.105 1.00 0.00 H new ATOM 453 N GLN A 30 10.669 13.408 3.060 1.00 0.00 N ATOM 454 CA GLN A 30 11.747 13.757 2.092 1.00 0.00 C ATOM 455 C GLN A 30 11.254 14.070 0.650 1.00 0.00 C ATOM 456 O GLN A 30 11.628 15.127 0.136 1.00 0.00 O ATOM 457 CB GLN A 30 12.831 12.649 2.144 1.00 0.00 C ATOM 458 CG GLN A 30 14.093 12.866 1.282 1.00 0.00 C ATOM 459 CD GLN A 30 14.955 14.068 1.635 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.859 13.997 2.459 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.723 15.208 1.027 1.00 0.00 N ATOM 0 H GLN A 30 9.992 12.733 2.705 1.00 0.00 H new ATOM 0 HA GLN A 30 12.181 14.708 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.145 12.530 3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.370 11.709 1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.711 11.971 1.350 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.783 12.961 0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.972 15.276 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.293 16.026 1.242 1.00 0.00 H new ATOM 470 N SER A 31 10.520 13.165 -0.026 1.00 0.00 N ATOM 471 CA SER A 31 10.191 13.332 -1.470 1.00 0.00 C ATOM 472 C SER A 31 8.853 12.654 -1.885 1.00 0.00 C ATOM 473 O SER A 31 8.538 11.529 -1.483 1.00 0.00 O ATOM 474 CB SER A 31 11.374 12.815 -2.334 1.00 0.00 C ATOM 475 OG SER A 31 11.117 12.949 -3.736 1.00 0.00 O ATOM 0 H SER A 31 10.143 12.315 0.393 1.00 0.00 H new ATOM 0 HA SER A 31 10.043 14.397 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.278 13.367 -2.077 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.563 11.767 -2.099 1.00 0.00 H new ATOM 0 HG SER A 31 11.041 13.899 -3.965 1.00 0.00 H new ATOM 481 N LYS A 32 8.120 13.349 -2.768 1.00 0.00 N ATOM 482 CA LYS A 32 6.882 12.842 -3.407 1.00 0.00 C ATOM 483 C LYS A 32 7.045 11.657 -4.401 1.00 0.00 C ATOM 484 O LYS A 32 6.341 10.652 -4.275 1.00 0.00 O ATOM 485 CB LYS A 32 6.057 14.009 -4.028 1.00 0.00 C ATOM 486 CG LYS A 32 6.791 14.964 -4.987 1.00 0.00 C ATOM 487 CD LYS A 32 5.851 15.783 -5.872 1.00 0.00 C ATOM 488 CE LYS A 32 6.490 17.043 -6.499 1.00 0.00 C ATOM 489 NZ LYS A 32 7.675 16.819 -7.362 1.00 0.00 N ATOM 0 H LYS A 32 8.368 14.292 -3.067 1.00 0.00 H new ATOM 0 HA LYS A 32 6.325 12.395 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.213 13.576 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.646 14.602 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.413 15.644 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.461 14.384 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.479 15.144 -6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.988 16.086 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.729 17.555 -7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.777 17.718 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.783 17.619 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.526 16.740 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.548 15.941 -7.905 1.00 0.00 H new ATOM 503 N GLN A 33 7.962 11.775 -5.367 1.00 0.00 N ATOM 504 CA GLN A 33 8.241 10.695 -6.348 1.00 0.00 C ATOM 505 C GLN A 33 8.939 9.428 -5.787 1.00 0.00 C ATOM 506 O GLN A 33 8.613 8.331 -6.236 1.00 0.00 O ATOM 507 CB GLN A 33 8.986 11.373 -7.521 1.00 0.00 C ATOM 508 CG GLN A 33 9.344 10.420 -8.678 1.00 0.00 C ATOM 509 CD GLN A 33 9.526 11.130 -10.008 1.00 0.00 C ATOM 510 OE1 GLN A 33 8.561 11.551 -10.638 1.00 0.00 O ATOM 511 NE2 GLN A 33 10.737 11.295 -10.482 1.00 0.00 N ATOM 0 H GLN A 33 8.533 12.610 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 33 7.301 10.254 -6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.368 12.182 -7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.902 11.826 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.262 9.888 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.559 9.671 -8.779 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.541 10.946 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.875 11.772 -11.373 1.00 0.00 H new ATOM 520 N GLN A 34 9.851 9.562 -4.815 1.00 0.00 N ATOM 521 CA GLN A 34 10.417 8.404 -4.079 1.00 0.00 C ATOM 522 C GLN A 34 9.356 7.547 -3.315 1.00 0.00 C ATOM 523 O GLN A 34 9.319 6.332 -3.525 1.00 0.00 O ATOM 524 CB GLN A 34 11.529 8.866 -3.108 1.00 0.00 C ATOM 525 CG GLN A 34 12.779 9.514 -3.735 1.00 0.00 C ATOM 526 CD GLN A 34 13.633 8.592 -4.591 1.00 0.00 C ATOM 527 OE1 GLN A 34 14.398 7.771 -4.097 1.00 0.00 O ATOM 528 NE2 GLN A 34 13.541 8.684 -5.895 1.00 0.00 N ATOM 0 H GLN A 34 10.220 10.464 -4.512 1.00 0.00 H new ATOM 0 HA GLN A 34 10.837 7.750 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.093 9.578 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.851 8.003 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.461 10.359 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.399 9.916 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.907 9.364 -6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.103 8.076 -6.490 1.00 0.00 H new ATOM 537 N VAL A 35 8.473 8.156 -2.500 1.00 0.00 N ATOM 538 CA VAL A 35 7.345 7.411 -1.863 1.00 0.00 C ATOM 539 C VAL A 35 6.297 6.826 -2.857 1.00 0.00 C ATOM 540 O VAL A 35 5.927 5.660 -2.699 1.00 0.00 O ATOM 541 CB VAL A 35 6.780 8.236 -0.669 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.895 9.432 -1.047 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.008 7.355 0.332 1.00 0.00 C ATOM 0 H VAL A 35 8.508 9.147 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 35 7.742 6.487 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 35 7.682 8.643 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.556 9.935 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.468 10.130 -1.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.031 9.081 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.633 7.974 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.170 6.876 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.674 6.591 0.733 1.00 0.00 H new ATOM 553 N SER A 36 5.878 7.569 -3.900 1.00 0.00 N ATOM 554 CA SER A 36 5.006 7.009 -4.972 1.00 0.00 C ATOM 555 C SER A 36 5.627 5.889 -5.853 1.00 0.00 C ATOM 556 O SER A 36 4.938 4.908 -6.132 1.00 0.00 O ATOM 557 CB SER A 36 4.360 8.161 -5.795 1.00 0.00 C ATOM 558 OG SER A 36 4.944 8.377 -7.087 1.00 0.00 O ATOM 0 H SER A 36 6.122 8.551 -4.030 1.00 0.00 H new ATOM 0 HA SER A 36 4.219 6.463 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.299 7.947 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.432 9.084 -5.220 1.00 0.00 H new ATOM 0 HG SER A 36 4.545 7.759 -7.734 1.00 0.00 H new ATOM 564 N ALA A 37 6.900 5.996 -6.256 1.00 0.00 N ATOM 565 CA ALA A 37 7.618 4.894 -6.945 1.00 0.00 C ATOM 566 C ALA A 37 7.850 3.597 -6.108 1.00 0.00 C ATOM 567 O ALA A 37 7.655 2.505 -6.645 1.00 0.00 O ATOM 568 CB ALA A 37 8.946 5.466 -7.461 1.00 0.00 C ATOM 0 H ALA A 37 7.464 6.835 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 37 6.973 4.549 -7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.504 4.683 -7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.745 6.283 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.533 5.838 -6.621 1.00 0.00 H new ATOM 574 N LEU A 38 8.212 3.710 -4.818 1.00 0.00 N ATOM 575 CA LEU A 38 8.259 2.545 -3.889 1.00 0.00 C ATOM 576 C LEU A 38 6.873 1.870 -3.602 1.00 0.00 C ATOM 577 O LEU A 38 6.772 0.643 -3.656 1.00 0.00 O ATOM 578 CB LEU A 38 8.967 2.962 -2.570 1.00 0.00 C ATOM 579 CG LEU A 38 10.496 2.735 -2.523 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.294 3.589 -3.511 1.00 0.00 C ATOM 581 CD2 LEU A 38 11.001 3.039 -1.097 1.00 0.00 C ATOM 0 H LEU A 38 8.479 4.594 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 38 8.833 1.772 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.771 4.020 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.512 2.412 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 38 10.657 1.696 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.356 3.366 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.971 3.366 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.124 4.645 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.079 2.882 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.774 4.075 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.508 2.375 -0.387 1.00 0.00 H new ATOM 593 N LEU A 39 5.827 2.654 -3.329 1.00 0.00 N ATOM 594 CA LEU A 39 4.433 2.143 -3.222 1.00 0.00 C ATOM 595 C LEU A 39 3.761 1.627 -4.551 1.00 0.00 C ATOM 596 O LEU A 39 2.906 0.737 -4.502 1.00 0.00 O ATOM 597 CB LEU A 39 3.596 3.297 -2.610 1.00 0.00 C ATOM 598 CG LEU A 39 3.907 3.640 -1.126 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.192 4.952 -0.779 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.468 2.550 -0.146 1.00 0.00 C ATOM 0 H LEU A 39 5.908 3.659 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 39 4.468 1.244 -2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.751 4.193 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.540 3.038 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 39 4.989 3.728 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.396 5.214 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.554 5.747 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.118 4.829 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.715 2.854 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.392 2.399 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.984 1.619 -0.382 1.00 0.00 H new ATOM 612 N GLY A 40 4.130 2.197 -5.698 1.00 0.00 N ATOM 613 CA GLY A 40 3.614 1.800 -7.024 1.00 0.00 C ATOM 614 C GLY A 40 2.499 2.710 -7.546 1.00 0.00 C ATOM 615 O GLY A 40 1.332 2.313 -7.580 1.00 0.00 O ATOM 0 H GLY A 40 4.806 2.960 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.436 1.800 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.241 0.778 -6.968 1.00 0.00 H new ATOM 619 N THR A 41 2.843 3.950 -7.911 1.00 0.00 N ATOM 620 CA THR A 41 1.870 4.964 -8.410 1.00 0.00 C ATOM 621 C THR A 41 2.680 6.137 -9.075 1.00 0.00 C ATOM 622 O THR A 41 3.654 6.605 -8.465 1.00 0.00 O ATOM 623 CB THR A 41 0.943 5.494 -7.271 1.00 0.00 C ATOM 624 OG1 THR A 41 0.224 4.417 -6.675 1.00 0.00 O ATOM 625 CG2 THR A 41 -0.134 6.472 -7.724 1.00 0.00 C ATOM 0 H THR A 41 3.803 4.293 -7.874 1.00 0.00 H new ATOM 0 HA THR A 41 1.213 4.500 -9.145 1.00 0.00 H new ATOM 0 HB THR A 41 1.631 5.999 -6.593 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.312 3.616 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.727 6.784 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.335 7.345 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.782 5.987 -8.455 1.00 0.00 H new ATOM 633 N PRO A 42 2.319 6.681 -10.271 1.00 0.00 N ATOM 634 CA PRO A 42 3.008 7.884 -10.846 1.00 0.00 C ATOM 635 C PRO A 42 2.869 9.178 -9.997 1.00 0.00 C ATOM 636 O PRO A 42 1.913 9.363 -9.238 1.00 0.00 O ATOM 637 CB PRO A 42 2.372 7.992 -12.256 1.00 0.00 C ATOM 638 CG PRO A 42 0.971 7.361 -12.101 1.00 0.00 C ATOM 639 CD PRO A 42 1.197 6.208 -11.110 1.00 0.00 C ATOM 0 HA PRO A 42 4.092 7.770 -10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.305 9.030 -12.582 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.966 7.461 -13.000 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.248 8.081 -11.719 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.587 6.999 -13.055 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.306 6.012 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.446 5.280 -11.625 1.00 0.00 H new ATOM 647 N SER A 43 3.877 10.046 -10.098 1.00 0.00 N ATOM 648 CA SER A 43 4.053 11.192 -9.179 1.00 0.00 C ATOM 649 C SER A 43 3.212 12.453 -9.548 1.00 0.00 C ATOM 650 O SER A 43 2.291 12.421 -10.369 1.00 0.00 O ATOM 651 CB SER A 43 5.600 11.417 -9.135 1.00 0.00 C ATOM 652 OG SER A 43 6.097 12.002 -10.338 1.00 0.00 O ATOM 0 H SER A 43 4.599 9.982 -10.816 1.00 0.00 H new ATOM 0 HA SER A 43 3.657 10.979 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.847 12.061 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.099 10.463 -8.965 1.00 0.00 H new ATOM 0 HG SER A 43 7.064 12.140 -10.260 1.00 0.00 H new ATOM 658 N ILE A 44 3.554 13.573 -8.900 1.00 0.00 N ATOM 659 CA ILE A 44 3.029 14.918 -9.267 1.00 0.00 C ATOM 660 C ILE A 44 4.248 15.658 -9.925 1.00 0.00 C ATOM 661 O ILE A 44 5.115 16.125 -9.174 1.00 0.00 O ATOM 662 CB ILE A 44 2.427 15.672 -8.026 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.213 14.908 -7.421 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.969 17.102 -8.416 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.777 15.419 -6.050 1.00 0.00 C ATOM 0 H ILE A 44 4.198 13.586 -8.109 1.00 0.00 H new ATOM 0 HA ILE A 44 2.190 14.864 -9.961 1.00 0.00 H new ATOM 0 HB ILE A 44 3.219 15.728 -7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.371 14.982 -8.109 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.466 13.851 -7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.556 17.603 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.822 17.668 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.206 17.041 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.073 14.835 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.602 15.319 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.490 16.468 -6.127 1.00 0.00 H new ATOM 677 N PRO A 45 4.385 15.777 -11.275 1.00 0.00 N ATOM 678 CA PRO A 45 5.612 16.379 -11.904 1.00 0.00 C ATOM 679 C PRO A 45 5.645 17.933 -11.933 1.00 0.00 C ATOM 680 O PRO A 45 5.615 18.570 -12.989 1.00 0.00 O ATOM 681 CB PRO A 45 5.617 15.692 -13.297 1.00 0.00 C ATOM 682 CG PRO A 45 4.123 15.460 -13.616 1.00 0.00 C ATOM 683 CD PRO A 45 3.531 15.068 -12.253 1.00 0.00 C ATOM 0 HA PRO A 45 6.522 16.198 -11.332 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.091 16.323 -14.049 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.169 14.752 -13.275 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.652 16.358 -14.016 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.987 14.672 -14.356 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.488 15.374 -12.168 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.560 13.989 -12.100 1.00 0.00 H new ATOM 691 N ASP A 46 5.782 18.512 -10.735 1.00 0.00 N ATOM 692 CA ASP A 46 6.018 19.956 -10.532 1.00 0.00 C ATOM 693 C ASP A 46 7.185 20.150 -9.497 1.00 0.00 C ATOM 694 O ASP A 46 7.094 19.613 -8.384 1.00 0.00 O ATOM 695 CB ASP A 46 4.708 20.653 -10.086 1.00 0.00 C ATOM 696 CG ASP A 46 4.854 22.156 -9.818 1.00 0.00 C ATOM 697 OD1 ASP A 46 5.531 22.849 -10.608 1.00 0.00 O ATOM 698 OD2 ASP A 46 4.351 22.644 -8.784 1.00 0.00 O ATOM 0 H ASP A 46 5.732 17.987 -9.862 1.00 0.00 H new ATOM 0 HA ASP A 46 6.322 20.424 -11.468 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.951 20.505 -10.856 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.342 20.168 -9.181 1.00 0.00 H new ATOM 703 N PRO A 47 8.249 20.939 -9.786 1.00 0.00 N ATOM 704 CA PRO A 47 9.145 21.502 -8.731 1.00 0.00 C ATOM 705 C PRO A 47 8.750 22.871 -8.085 1.00 0.00 C ATOM 706 O PRO A 47 9.478 23.308 -7.191 1.00 0.00 O ATOM 707 CB PRO A 47 10.461 21.627 -9.555 1.00 0.00 C ATOM 708 CG PRO A 47 9.978 22.087 -10.954 1.00 0.00 C ATOM 709 CD PRO A 47 8.650 21.335 -11.156 1.00 0.00 C ATOM 0 HA PRO A 47 9.153 20.875 -7.840 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.145 22.350 -9.110 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.992 20.677 -9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.835 23.167 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.702 21.834 -11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.898 21.971 -11.623 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.778 20.466 -11.801 1.00 0.00 H new ATOM 717 N PHE A 48 7.667 23.548 -8.505 1.00 0.00 N ATOM 718 CA PHE A 48 7.283 24.880 -7.967 1.00 0.00 C ATOM 719 C PHE A 48 6.498 24.797 -6.627 1.00 0.00 C ATOM 720 O PHE A 48 7.040 25.222 -5.603 1.00 0.00 O ATOM 721 CB PHE A 48 6.566 25.647 -9.109 1.00 0.00 C ATOM 722 CG PHE A 48 6.266 27.122 -8.804 1.00 0.00 C ATOM 723 CD1 PHE A 48 7.255 28.106 -8.963 1.00 0.00 C ATOM 724 CD2 PHE A 48 4.996 27.510 -8.349 1.00 0.00 C ATOM 725 CE1 PHE A 48 6.982 29.443 -8.667 1.00 0.00 C ATOM 726 CE2 PHE A 48 4.724 28.846 -8.052 1.00 0.00 C ATOM 727 CZ PHE A 48 5.717 29.810 -8.211 1.00 0.00 C ATOM 0 H PHE A 48 7.032 23.197 -9.222 1.00 0.00 H new ATOM 0 HA PHE A 48 8.166 25.447 -7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.183 25.594 -10.006 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.629 25.139 -9.336 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.236 27.826 -9.318 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.222 26.767 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.750 30.192 -8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.744 29.132 -7.699 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.506 30.844 -7.980 1.00 0.00 H new ATOM 737 N HIS A 49 5.244 24.307 -6.620 1.00 0.00 N ATOM 738 CA HIS A 49 4.448 24.180 -5.364 1.00 0.00 C ATOM 739 C HIS A 49 3.467 22.981 -5.494 1.00 0.00 C ATOM 740 O HIS A 49 2.252 23.143 -5.653 1.00 0.00 O ATOM 741 CB HIS A 49 3.766 25.535 -5.066 1.00 0.00 C ATOM 742 CG HIS A 49 3.106 25.715 -3.678 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.782 26.977 -3.223 1.00 0.00 N ATOM 744 CD2 HIS A 49 2.687 24.756 -2.710 1.00 0.00 C ATOM 745 CE1 HIS A 49 2.203 26.678 -2.021 1.00 0.00 C ATOM 746 NE2 HIS A 49 2.084 25.372 -1.625 1.00 0.00 N ATOM 0 H HIS A 49 4.755 23.992 -7.458 1.00 0.00 H new ATOM 0 HA HIS A 49 5.080 23.957 -4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.512 26.320 -5.188 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.002 25.701 -5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.822 23.689 -2.809 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.840 27.471 -1.384 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.673 24.972 -0.782 1.00 0.00 H new ATOM 754 N ALA A 50 4.013 21.767 -5.368 1.00 0.00 N ATOM 755 CA ALA A 50 3.235 20.530 -5.550 1.00 0.00 C ATOM 756 C ALA A 50 2.570 20.032 -4.240 1.00 0.00 C ATOM 757 O ALA A 50 3.210 19.429 -3.373 1.00 0.00 O ATOM 758 CB ALA A 50 4.238 19.525 -6.111 1.00 0.00 C ATOM 0 H ALA A 50 4.995 21.611 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 50 2.390 20.686 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.741 18.569 -6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.636 19.897 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.054 19.390 -5.401 1.00 0.00 H new ATOM 764 N GLN A 51 1.258 20.271 -4.129 1.00 0.00 N ATOM 765 CA GLN A 51 0.461 19.856 -2.941 1.00 0.00 C ATOM 766 C GLN A 51 0.084 18.332 -2.973 1.00 0.00 C ATOM 767 O GLN A 51 0.760 17.524 -3.615 1.00 0.00 O ATOM 768 CB GLN A 51 -0.726 20.854 -2.829 1.00 0.00 C ATOM 769 CG GLN A 51 -0.291 22.275 -2.389 1.00 0.00 C ATOM 770 CD GLN A 51 -1.433 23.267 -2.203 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.621 22.965 -2.272 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.106 24.508 -1.940 1.00 0.00 N ATOM 0 H GLN A 51 0.713 20.751 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 51 1.040 19.918 -2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.230 20.918 -3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.452 20.466 -2.115 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.259 22.197 -1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.400 22.674 -3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.123 24.775 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.834 25.208 -1.796 1.00 0.00 H new ATOM 781 N ARG A 52 -0.929 17.913 -2.201 1.00 0.00 N ATOM 782 CA ARG A 52 -1.141 16.483 -1.849 1.00 0.00 C ATOM 783 C ARG A 52 -1.424 15.495 -3.025 1.00 0.00 C ATOM 784 O ARG A 52 -2.082 15.836 -4.018 1.00 0.00 O ATOM 785 CB ARG A 52 -2.215 16.440 -0.729 1.00 0.00 C ATOM 786 CG ARG A 52 -3.704 16.353 -1.065 1.00 0.00 C ATOM 787 CD ARG A 52 -4.328 17.506 -1.848 1.00 0.00 C ATOM 788 NE ARG A 52 -5.759 17.162 -2.030 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.580 17.681 -2.927 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.292 18.716 -3.674 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.740 17.110 -3.053 1.00 0.00 N ATOM 0 H ARG A 52 -1.625 18.542 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.187 16.090 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.981 15.584 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.077 17.334 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.866 15.437 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.253 16.249 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.220 18.446 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.834 17.634 -2.811 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.147 16.457 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.385 19.174 -3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.974 19.065 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.977 16.304 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.414 17.468 -3.730 1.00 0.00 H new ATOM 805 N TRP A 53 -0.976 14.240 -2.850 1.00 0.00 N ATOM 806 CA TRP A 53 -1.451 13.091 -3.681 1.00 0.00 C ATOM 807 C TRP A 53 -2.722 12.532 -3.000 1.00 0.00 C ATOM 808 O TRP A 53 -2.610 11.835 -1.996 1.00 0.00 O ATOM 809 CB TRP A 53 -0.272 12.111 -3.840 1.00 0.00 C ATOM 810 CG TRP A 53 -0.513 10.625 -4.274 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.654 10.058 -4.909 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.302 9.518 -3.987 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.608 8.656 -4.952 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.396 8.340 -4.372 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.582 9.411 -3.351 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.162 7.056 -4.080 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.098 8.148 -3.081 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.395 6.983 -3.436 1.00 0.00 C ATOM 0 H TRP A 53 -0.286 13.983 -2.144 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.748 13.352 -4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.412 12.549 -4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.252 12.084 -2.885 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.467 10.643 -5.314 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.309 8.017 -5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.138 10.298 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.366 6.155 -4.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.056 8.060 -2.590 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.818 6.016 -3.206 1.00 0.00 H new ATOM 829 N ASP A 54 -3.902 12.856 -3.541 1.00 0.00 N ATOM 830 CA ASP A 54 -5.218 12.418 -2.978 1.00 0.00 C ATOM 831 C ASP A 54 -5.965 11.279 -3.777 1.00 0.00 C ATOM 832 O ASP A 54 -7.191 11.154 -3.722 1.00 0.00 O ATOM 833 CB ASP A 54 -6.092 13.704 -2.918 1.00 0.00 C ATOM 834 CG ASP A 54 -7.001 13.828 -1.705 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.325 12.813 -1.050 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.374 14.982 -1.387 1.00 0.00 O ATOM 0 H ASP A 54 -3.989 13.428 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.039 11.959 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.432 14.571 -2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.708 13.745 -3.816 1.00 0.00 H new ATOM 841 N TYR A 55 -5.236 10.490 -4.572 1.00 0.00 N ATOM 842 CA TYR A 55 -5.728 10.094 -5.919 1.00 0.00 C ATOM 843 C TYR A 55 -5.729 8.545 -6.083 1.00 0.00 C ATOM 844 O TYR A 55 -4.789 7.849 -5.681 1.00 0.00 O ATOM 845 CB TYR A 55 -4.879 10.744 -7.060 1.00 0.00 C ATOM 846 CG TYR A 55 -4.653 12.274 -7.001 1.00 0.00 C ATOM 847 CD1 TYR A 55 -5.698 13.179 -6.729 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.349 12.779 -7.099 1.00 0.00 C ATOM 849 CE1 TYR A 55 -5.424 14.522 -6.449 1.00 0.00 C ATOM 850 CE2 TYR A 55 -3.082 14.126 -6.836 1.00 0.00 C ATOM 851 CZ TYR A 55 -4.111 14.985 -6.466 1.00 0.00 C ATOM 852 OH TYR A 55 -3.816 16.224 -5.977 1.00 0.00 O ATOM 0 H TYR A 55 -4.321 10.113 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 55 -6.751 10.460 -6.002 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.902 10.260 -7.070 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.359 10.512 -8.010 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.721 12.832 -6.737 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.541 12.120 -7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.232 15.201 -6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.073 14.501 -6.921 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.954 16.195 -5.511 1.00 0.00 H new ATOM 862 N THR A 56 -6.796 8.026 -6.702 1.00 0.00 N ATOM 863 CA THR A 56 -7.055 6.571 -6.772 1.00 0.00 C ATOM 864 C THR A 56 -6.274 5.899 -7.943 1.00 0.00 C ATOM 865 O THR A 56 -6.570 6.151 -9.116 1.00 0.00 O ATOM 866 CB THR A 56 -8.601 6.330 -6.964 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.432 7.151 -6.145 1.00 0.00 O ATOM 868 CG2 THR A 56 -9.012 4.889 -6.671 1.00 0.00 C ATOM 0 H THR A 56 -7.504 8.593 -7.168 1.00 0.00 H new ATOM 0 HA THR A 56 -6.711 6.120 -5.841 1.00 0.00 H new ATOM 0 HB THR A 56 -8.753 6.585 -8.013 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.877 7.643 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.086 4.780 -6.819 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.483 4.215 -7.345 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.761 4.642 -5.640 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.393 1.707 -4.880 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.669 2.551 -3.893 1.00 0.00 C ATOM 1097 C LYS A 70 -5.120 4.036 -4.009 1.00 0.00 C ATOM 1098 O LYS A 70 -4.573 4.799 -4.810 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.117 2.448 -4.022 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.539 1.095 -3.603 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.067 0.866 -3.943 1.00 0.00 C ATOM 1102 CE LYS A 70 -0.789 0.677 -5.434 1.00 0.00 C ATOM 1103 NZ LYS A 70 0.441 -0.136 -5.617 1.00 0.00 N ATOM 0 HA LYS A 70 -4.930 2.166 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.836 2.645 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.661 3.229 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.665 0.985 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.128 0.308 -4.074 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.486 1.715 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.714 -0.014 -3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.636 0.185 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.670 1.647 -5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.645 -0.233 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.241 0.334 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.299 -1.078 -5.201 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.063 4.459 -3.152 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.270 5.906 -2.858 1.00 0.00 C ATOM 1119 C ASN A 71 -5.493 6.319 -1.561 1.00 0.00 C ATOM 1120 O ASN A 71 -6.064 6.470 -0.473 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.787 6.202 -2.768 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.123 7.678 -2.963 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.460 8.102 -4.061 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.021 8.511 -1.956 1.00 0.00 N ATOM 0 H ASN A 71 -6.694 3.835 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.864 6.513 -3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.311 5.614 -3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.157 5.877 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.222 9.502 -2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.741 8.168 -1.037 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.181 6.526 -1.703 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.298 6.923 -0.571 1.00 0.00 C ATOM 1133 C PHE A 72 -3.246 8.468 -0.470 1.00 0.00 C ATOM 1134 O PHE A 72 -2.434 9.105 -1.146 1.00 0.00 O ATOM 1135 CB PHE A 72 -1.936 6.250 -0.866 1.00 0.00 C ATOM 1136 CG PHE A 72 -0.836 6.400 0.195 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -0.814 5.583 1.334 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.241 7.269 -0.022 1.00 0.00 C ATOM 1139 CE1 PHE A 72 0.277 5.593 2.204 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.331 7.291 0.851 1.00 0.00 C ATOM 1141 CZ PHE A 72 1.354 6.439 1.952 1.00 0.00 C ATOM 0 H PHE A 72 -3.691 6.428 -2.592 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.652 6.596 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.112 5.186 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.557 6.652 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.654 4.936 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.228 7.931 -0.876 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.286 4.947 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.154 7.967 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.209 6.434 2.612 1.00 0.00 H new ATOM 1151 N THR A 73 -4.109 9.063 0.379 1.00 0.00 N ATOM 1152 CA THR A 73 -4.149 10.543 0.558 1.00 0.00 C ATOM 1153 C THR A 73 -2.951 11.017 1.429 1.00 0.00 C ATOM 1154 O THR A 73 -2.960 10.903 2.658 1.00 0.00 O ATOM 1155 CB THR A 73 -5.535 11.028 1.057 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.512 10.782 0.050 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.592 12.529 1.330 1.00 0.00 C ATOM 0 H THR A 73 -4.784 8.554 0.950 1.00 0.00 H new ATOM 0 HA THR A 73 -4.026 11.021 -0.414 1.00 0.00 H new ATOM 0 HB THR A 73 -5.721 10.485 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.528 11.532 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.590 12.798 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.861 12.788 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.366 13.074 0.414 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.929 11.550 0.759 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.640 11.929 1.389 1.00 0.00 C ATOM 1167 C VAL A 74 -0.311 13.410 1.086 1.00 0.00 C ATOM 1168 O VAL A 74 -0.262 13.848 -0.068 1.00 0.00 O ATOM 1169 CB VAL A 74 0.489 10.925 1.026 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.773 10.761 -0.466 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.833 11.291 1.692 1.00 0.00 C ATOM 0 H VAL A 74 -1.961 11.737 -0.243 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.730 11.858 2.473 1.00 0.00 H new ATOM 0 HB VAL A 74 0.089 9.984 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.577 10.039 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.126 10.406 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.071 11.721 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.590 10.560 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.144 12.283 1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.715 11.289 2.776 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.058 14.157 2.160 1.00 0.00 N ATOM 1182 CA PHE A 75 0.163 15.615 2.099 1.00 0.00 C ATOM 1183 C PHE A 75 1.656 15.962 1.879 1.00 0.00 C ATOM 1184 O PHE A 75 2.557 15.384 2.494 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.421 16.260 3.386 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.962 16.345 3.350 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.761 15.294 3.834 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.588 17.445 2.747 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.150 15.348 3.713 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.976 17.492 2.616 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.755 16.445 3.101 1.00 0.00 C ATOM 0 H PHE A 75 0.001 13.774 3.103 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.357 16.029 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.111 15.678 4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.007 17.261 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.296 14.439 4.303 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.989 18.265 2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.757 14.540 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.446 18.339 2.139 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.830 16.483 3.003 1.00 0.00 H new ATOM 1201 N PHE A 76 1.884 16.925 0.988 1.00 0.00 N ATOM 1202 CA PHE A 76 3.229 17.457 0.679 1.00 0.00 C ATOM 1203 C PHE A 76 3.175 19.020 0.763 1.00 0.00 C ATOM 1204 O PHE A 76 2.168 19.634 0.383 1.00 0.00 O ATOM 1205 CB PHE A 76 3.678 17.070 -0.761 1.00 0.00 C ATOM 1206 CG PHE A 76 3.690 15.574 -1.095 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.556 14.675 -0.450 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.796 15.076 -2.051 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.487 13.309 -0.724 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.757 13.716 -2.352 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.592 12.832 -1.678 1.00 0.00 C ATOM 0 H PHE A 76 1.140 17.369 0.450 1.00 0.00 H new ATOM 0 HA PHE A 76 3.936 17.036 1.394 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.020 17.573 -1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.681 17.464 -0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.279 15.044 0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.128 15.754 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.129 12.620 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.079 13.349 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.546 11.775 -1.894 1.00 0.00 H new ATOM 1221 N GLU A 77 4.281 19.659 1.171 1.00 0.00 N ATOM 1222 CA GLU A 77 4.494 21.108 0.839 1.00 0.00 C ATOM 1223 C GLU A 77 4.828 21.331 -0.674 1.00 0.00 C ATOM 1224 O GLU A 77 4.052 21.948 -1.407 1.00 0.00 O ATOM 1225 CB GLU A 77 5.411 21.824 1.854 1.00 0.00 C ATOM 1226 CG GLU A 77 6.768 21.233 2.253 1.00 0.00 C ATOM 1227 CD GLU A 77 7.890 21.289 1.240 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.556 22.335 1.120 1.00 0.00 O ATOM 1229 OE2 GLU A 77 8.110 20.269 0.549 1.00 0.00 O ATOM 0 H GLU A 77 5.029 19.228 1.714 1.00 0.00 H new ATOM 0 HA GLU A 77 3.541 21.622 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.602 22.823 1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.835 21.947 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.105 21.747 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.612 20.188 2.522 1.00 0.00 H new ATOM 1236 N ASN A 78 5.940 20.757 -1.120 1.00 0.00 N ATOM 1237 CA ASN A 78 6.332 20.643 -2.540 1.00 0.00 C ATOM 1238 C ASN A 78 6.941 19.218 -2.747 1.00 0.00 C ATOM 1239 O ASN A 78 6.313 18.387 -3.406 1.00 0.00 O ATOM 1240 CB ASN A 78 7.245 21.840 -2.872 1.00 0.00 C ATOM 1241 CG ASN A 78 7.694 21.949 -4.317 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.981 21.625 -5.262 1.00 0.00 O ATOM 1243 ND2 ASN A 78 8.882 22.456 -4.534 1.00 0.00 N ATOM 0 H ASN A 78 6.624 20.340 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 78 5.506 20.710 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.721 22.757 -2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.131 21.783 -2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.216 22.582 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.473 22.725 -3.747 1.00 0.00 H new ATOM 1250 N GLU A 79 8.116 18.932 -2.154 1.00 0.00 N ATOM 1251 CA GLU A 79 8.651 17.552 -2.053 1.00 0.00 C ATOM 1252 C GLU A 79 8.434 16.880 -0.660 1.00 0.00 C ATOM 1253 O GLU A 79 8.081 15.697 -0.645 1.00 0.00 O ATOM 1254 CB GLU A 79 10.152 17.513 -2.455 1.00 0.00 C ATOM 1255 CG GLU A 79 10.434 17.461 -3.971 1.00 0.00 C ATOM 1256 CD GLU A 79 10.093 16.174 -4.709 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.158 15.068 -4.130 1.00 0.00 O ATOM 1258 OE2 GLU A 79 9.742 16.261 -5.905 1.00 0.00 O ATOM 0 H GLU A 79 8.719 19.640 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 79 8.069 16.959 -2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.643 18.394 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.613 16.643 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.883 18.275 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.494 17.664 -4.122 1.00 0.00 H new ATOM 1265 N GLN A 80 8.691 17.544 0.491 1.00 0.00 N ATOM 1266 CA GLN A 80 8.820 16.817 1.786 1.00 0.00 C ATOM 1267 C GLN A 80 7.460 16.423 2.399 1.00 0.00 C ATOM 1268 O GLN A 80 6.484 17.185 2.376 1.00 0.00 O ATOM 1269 CB GLN A 80 9.829 17.500 2.732 1.00 0.00 C ATOM 1270 CG GLN A 80 9.419 18.727 3.550 1.00 0.00 C ATOM 1271 CD GLN A 80 8.779 18.452 4.904 1.00 0.00 C ATOM 1272 OE1 GLN A 80 9.452 18.254 5.909 1.00 0.00 O ATOM 1273 NE2 GLN A 80 7.471 18.434 5.001 1.00 0.00 N ATOM 0 H GLN A 80 8.811 18.555 0.556 1.00 0.00 H new ATOM 0 HA GLN A 80 9.271 15.846 1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.172 16.743 3.437 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.691 17.788 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.304 19.344 3.709 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.722 19.317 2.955 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.896 18.597 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.029 18.257 5.903 1.00 0.00 H new ATOM 1282 N VAL A 81 7.402 15.199 2.935 1.00 0.00 N ATOM 1283 CA VAL A 81 6.115 14.512 3.210 1.00 0.00 C ATOM 1284 C VAL A 81 5.583 14.880 4.634 1.00 0.00 C ATOM 1285 O VAL A 81 6.314 14.841 5.627 1.00 0.00 O ATOM 1286 CB VAL A 81 6.225 12.955 3.043 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.818 12.340 2.913 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.073 12.464 1.852 1.00 0.00 C ATOM 0 H VAL A 81 8.226 14.655 3.191 1.00 0.00 H new ATOM 0 HA VAL A 81 5.399 14.864 2.468 1.00 0.00 H new ATOM 0 HB VAL A 81 6.745 12.626 3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.902 11.259 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.238 12.565 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.316 12.760 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.079 11.374 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.646 12.840 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.094 12.831 1.957 1.00 0.00 H new ATOM 1298 N VAL A 82 4.296 15.232 4.692 1.00 0.00 N ATOM 1299 CA VAL A 82 3.656 15.816 5.906 1.00 0.00 C ATOM 1300 C VAL A 82 2.911 14.694 6.696 1.00 0.00 C ATOM 1301 O VAL A 82 3.350 14.362 7.797 1.00 0.00 O ATOM 1302 CB VAL A 82 2.801 17.052 5.474 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.966 17.675 6.608 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.677 18.188 4.873 1.00 0.00 C ATOM 0 H VAL A 82 3.655 15.126 3.905 1.00 0.00 H new ATOM 0 HA VAL A 82 4.382 16.206 6.619 1.00 0.00 H new ATOM 0 HB VAL A 82 2.123 16.641 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.404 18.525 6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.273 16.931 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.629 18.010 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.041 19.026 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.402 18.520 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.203 17.816 3.994 1.00 0.00 H new ATOM 1314 N ARG A 83 1.821 14.109 6.151 1.00 0.00 N ATOM 1315 CA ARG A 83 1.179 12.893 6.738 1.00 0.00 C ATOM 1316 C ARG A 83 0.326 12.122 5.684 1.00 0.00 C ATOM 1317 O ARG A 83 -0.292 12.724 4.797 1.00 0.00 O ATOM 1318 CB ARG A 83 0.403 13.173 8.053 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.855 14.057 8.017 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.205 13.317 8.059 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.594 12.819 6.720 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.784 12.326 6.396 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.727 12.069 7.264 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.023 12.060 5.150 1.00 0.00 N ATOM 0 H ARG A 83 1.362 14.452 5.307 1.00 0.00 H new ATOM 0 HA ARG A 83 1.995 12.233 7.031 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.113 12.210 8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.102 13.629 8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.815 14.745 8.861 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.823 14.662 7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.141 12.480 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.977 13.987 8.437 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.889 12.858 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.569 12.247 8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.620 11.690 6.949 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.305 12.230 4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.929 11.681 4.874 1.00 0.00 H new ATOM 1338 N TRP A 84 0.225 10.797 5.845 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.486 9.897 4.903 1.00 0.00 C ATOM 1340 C TRP A 84 -1.644 9.090 5.563 1.00 0.00 C ATOM 1341 O TRP A 84 -1.439 8.400 6.565 1.00 0.00 O ATOM 1342 CB TRP A 84 0.485 8.935 4.180 1.00 0.00 C ATOM 1343 CG TRP A 84 1.464 8.100 5.038 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.228 6.840 5.639 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.770 8.434 5.392 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.320 6.427 6.407 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.262 7.424 6.250 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.613 9.530 5.017 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.589 7.519 6.771 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.901 9.592 5.525 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.380 8.600 6.395 1.00 0.00 C ATOM 0 H TRP A 84 0.636 10.306 6.639 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.939 10.562 4.167 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.113 8.242 3.588 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.076 9.524 3.479 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.319 6.270 5.519 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.403 5.575 6.962 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.250 10.297 4.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.971 6.766 7.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.544 10.414 5.248 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.386 8.678 6.781 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.821 9.171 4.924 1.00 0.00 N ATOM 1363 CA GLU A 85 -3.998 8.317 5.203 1.00 0.00 C ATOM 1364 C GLU A 85 -5.190 8.743 4.268 1.00 0.00 C ATOM 1365 O GLU A 85 -5.673 9.881 4.339 1.00 0.00 O ATOM 1366 CB GLU A 85 -4.505 8.356 6.669 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.574 7.300 7.008 1.00 0.00 C ATOM 1368 CD GLU A 85 -5.099 5.873 6.892 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -4.462 5.382 7.842 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -5.395 5.212 5.872 1.00 0.00 O ATOM 0 H GLU A 85 -2.990 9.847 4.179 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.660 7.298 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.655 8.220 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.914 9.346 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.927 7.471 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.429 7.441 6.346 1.00 0.00 H new ATOM 1377 N GLY A 86 -5.696 7.776 3.497 1.00 0.00 N ATOM 1378 CA GLY A 86 -7.054 7.849 2.909 1.00 0.00 C ATOM 1379 C GLY A 86 -7.765 6.503 3.128 1.00 0.00 C ATOM 1380 O GLY A 86 -8.252 6.230 4.229 1.00 0.00 O ATOM 0 H GLY A 86 -5.188 6.924 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.623 8.655 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.992 8.074 1.844 1.00 0.00 H new ATOM 1384 N ASP A 87 -7.722 5.639 2.110 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.579 4.173 2.332 1.00 0.00 C ATOM 1386 C ASP A 87 -7.012 3.553 1.013 1.00 0.00 C ATOM 1387 O ASP A 87 -7.494 3.809 -0.097 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.844 3.422 2.802 1.00 0.00 C ATOM 1389 CG ASP A 87 -8.461 2.107 3.504 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -8.123 1.118 2.816 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -8.418 2.096 4.755 1.00 0.00 O ATOM 0 H ASP A 87 -7.782 5.912 1.129 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.901 4.049 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.416 4.052 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.487 3.211 1.948 1.00 0.00 H new ATOM 1396 N TYR A 88 -5.962 2.749 1.174 1.00 0.00 N ATOM 1397 CA TYR A 88 -5.164 2.227 0.042 1.00 0.00 C ATOM 1398 C TYR A 88 -5.059 0.682 -0.092 1.00 0.00 C ATOM 1399 O TYR A 88 -4.121 0.211 -0.738 1.00 0.00 O ATOM 1400 CB TYR A 88 -3.797 2.965 0.062 1.00 0.00 C ATOM 1401 CG TYR A 88 -2.748 2.495 1.081 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -2.908 2.705 2.462 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -1.573 1.881 0.628 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -1.918 2.305 3.359 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -0.583 1.485 1.528 1.00 0.00 C ATOM 1406 CZ TYR A 88 -0.758 1.695 2.891 1.00 0.00 C ATOM 1407 OH TYR A 88 0.209 1.308 3.760 1.00 0.00 O ATOM 0 H TYR A 88 -5.633 2.436 2.087 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.707 2.448 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.358 2.885 -0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.989 4.023 0.242 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.805 3.180 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.432 1.712 -0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.052 2.469 4.418 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.319 1.015 1.166 1.00 0.00 H new ATOM 0 HH TYR A 88 0.830 0.699 3.308 1.00 0.00 H new ATOM 1667 N GLY A 105 -5.365 11.580 12.748 1.00 0.00 N ATOM 1668 CA GLY A 105 -5.042 12.090 14.099 1.00 0.00 C ATOM 1669 C GLY A 105 -4.269 11.092 14.970 1.00 0.00 C ATOM 1670 O GLY A 105 -3.062 11.241 15.163 1.00 0.00 O ATOM 0 HA2 GLY A 105 -4.455 13.003 14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.968 12.359 14.606 1.00 0.00 H new ATOM 1674 N ARG A 106 -4.977 10.084 15.493 1.00 0.00 N ATOM 1675 CA ARG A 106 -4.367 9.025 16.343 1.00 0.00 C ATOM 1676 C ARG A 106 -3.906 7.831 15.465 1.00 0.00 C ATOM 1677 O ARG A 106 -4.716 6.980 15.088 1.00 0.00 O ATOM 1678 CB ARG A 106 -5.432 8.666 17.410 1.00 0.00 C ATOM 1679 CG ARG A 106 -4.952 7.854 18.627 1.00 0.00 C ATOM 1680 CD ARG A 106 -4.917 6.331 18.436 1.00 0.00 C ATOM 1681 NE ARG A 106 -4.633 5.718 19.760 1.00 0.00 N ATOM 1682 CZ ARG A 106 -5.132 4.571 20.205 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -5.759 3.689 19.472 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -4.987 4.281 21.461 1.00 0.00 N ATOM 0 H ARG A 106 -5.980 9.969 15.348 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.460 9.353 16.851 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.874 9.594 17.774 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.228 8.105 16.920 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.951 8.192 18.895 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.602 8.081 19.472 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.869 5.972 18.044 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.150 6.053 17.713 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.000 6.222 20.381 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.896 3.859 18.476 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.111 2.831 19.896 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.499 4.928 22.081 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.361 3.406 21.829 1.00 0.00 H new ATOM 1698 N ASN A 107 -2.602 7.761 15.167 1.00 0.00 N ATOM 1699 CA ASN A 107 -2.002 6.715 14.279 1.00 0.00 C ATOM 1700 C ASN A 107 -1.823 5.296 14.912 1.00 0.00 C ATOM 1701 O ASN A 107 -0.724 4.743 14.998 1.00 0.00 O ATOM 1702 CB ASN A 107 -0.705 7.293 13.640 1.00 0.00 C ATOM 1703 CG ASN A 107 0.408 7.756 14.580 1.00 0.00 C ATOM 1704 OD1 ASN A 107 0.196 8.566 15.479 1.00 0.00 O ATOM 1705 ND2 ASN A 107 1.628 7.312 14.420 1.00 0.00 N ATOM 0 H ASN A 107 -1.917 8.424 15.529 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.730 6.499 13.497 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -0.290 6.532 12.979 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -0.988 8.139 13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 107 2.374 7.639 15.034 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.833 6.639 13.682 1.00 0.00 H new ATOM 1712 N LEU A 108 -2.954 4.709 15.320 1.00 0.00 N ATOM 1713 CA LEU A 108 -3.025 3.357 15.924 1.00 0.00 C ATOM 1714 C LEU A 108 -4.537 2.969 16.014 1.00 0.00 C ATOM 1715 O LEU A 108 -5.306 3.633 16.720 1.00 0.00 O ATOM 1716 CB LEU A 108 -2.347 3.305 17.322 1.00 0.00 C ATOM 1717 CG LEU A 108 -1.721 1.969 17.778 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -2.681 0.783 17.796 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -0.463 1.617 16.973 1.00 0.00 C ATOM 0 H LEU A 108 -3.865 5.161 15.242 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.480 2.645 15.304 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.564 4.064 17.341 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.091 3.595 18.064 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.445 2.151 18.817 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.151 -0.109 18.129 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.505 0.992 18.479 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.074 0.618 16.793 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.057 0.670 17.328 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.719 1.529 15.917 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.282 2.402 17.101 1.00 0.00 H new ATOM 1731 N ALA A 109 -4.958 1.893 15.333 1.00 0.00 N ATOM 1732 CA ALA A 109 -6.353 1.392 15.429 1.00 0.00 C ATOM 1733 C ALA A 109 -6.571 0.455 16.653 1.00 0.00 C ATOM 1734 O ALA A 109 -7.147 0.900 17.649 1.00 0.00 O ATOM 1735 CB ALA A 109 -6.731 0.793 14.068 1.00 0.00 C ATOM 0 H ALA A 109 -4.361 1.349 14.710 1.00 0.00 H new ATOM 0 HA ALA A 109 -7.043 2.210 15.636 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.753 0.416 14.108 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.658 1.562 13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.051 -0.025 13.829 1.00 0.00 H new ATOM 1741 N ARG A 110 -6.108 -0.808 16.604 1.00 0.00 N ATOM 1742 CA ARG A 110 -6.334 -1.787 17.703 1.00 0.00 C ATOM 1743 C ARG A 110 -5.142 -1.771 18.701 1.00 0.00 C ATOM 1744 O ARG A 110 -4.120 -2.432 18.494 1.00 0.00 O ATOM 1745 CB ARG A 110 -6.598 -3.164 17.042 1.00 0.00 C ATOM 1746 CG ARG A 110 -7.290 -4.230 17.919 1.00 0.00 C ATOM 1747 CD ARG A 110 -6.472 -4.858 19.055 1.00 0.00 C ATOM 1748 NE ARG A 110 -5.354 -5.679 18.528 1.00 0.00 N ATOM 1749 CZ ARG A 110 -4.140 -5.784 19.061 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -3.750 -5.169 20.150 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -3.277 -6.549 18.461 1.00 0.00 N ATOM 0 H ARG A 110 -5.575 -1.182 15.819 1.00 0.00 H new ATOM 0 HA ARG A 110 -7.203 -1.531 18.310 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.209 -3.004 16.154 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -5.644 -3.568 16.704 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -8.180 -3.778 18.357 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.629 -5.034 17.265 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.076 -4.072 19.698 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.121 -5.478 19.673 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.533 -6.213 17.677 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.396 -4.559 20.650 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.800 -5.300 20.498 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.540 -7.045 17.610 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.336 -6.653 18.842 1.00 0.00 H new ATOM 1765 N ASP A 111 -5.308 -1.031 19.803 1.00 0.00 N ATOM 1766 CA ASP A 111 -4.296 -0.935 20.887 1.00 0.00 C ATOM 1767 C ASP A 111 -4.375 -2.092 21.935 1.00 0.00 C ATOM 1768 O ASP A 111 -5.012 -3.134 21.736 1.00 0.00 O ATOM 1769 CB ASP A 111 -4.316 0.523 21.416 1.00 0.00 C ATOM 1770 CG ASP A 111 -5.555 1.000 22.145 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -5.845 0.522 23.261 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -6.263 1.886 21.614 1.00 0.00 O ATOM 0 H ASP A 111 -6.146 -0.477 19.978 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.291 -1.117 20.506 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.466 0.646 22.087 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.151 1.188 20.568 1.00 0.00 H new ATOM 1777 N LYS A 112 -3.687 -1.893 23.066 1.00 0.00 N ATOM 1778 CA LYS A 112 -3.819 -2.760 24.270 1.00 0.00 C ATOM 1779 C LYS A 112 -5.118 -2.403 25.061 1.00 0.00 C ATOM 1780 O LYS A 112 -5.104 -1.723 26.090 1.00 0.00 O ATOM 1781 CB LYS A 112 -2.507 -2.594 25.079 1.00 0.00 C ATOM 1782 CG LYS A 112 -2.352 -3.584 26.253 1.00 0.00 C ATOM 1783 CD LYS A 112 -1.013 -3.364 26.988 1.00 0.00 C ATOM 1784 CE LYS A 112 -0.841 -4.332 28.170 1.00 0.00 C ATOM 1785 NZ LYS A 112 0.464 -4.076 28.842 1.00 0.00 N ATOM 0 H LYS A 112 -3.020 -1.130 23.184 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.938 -3.814 24.018 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.660 -2.715 24.403 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.461 -1.577 25.469 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.179 -3.458 26.951 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.403 -4.607 25.880 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.188 -3.497 26.287 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.962 -2.337 27.350 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.658 -4.203 28.880 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.884 -5.363 27.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.578 -4.732 29.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.238 -4.220 28.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.488 -3.097 29.192 1.00 0.00 H new