USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 38 THR OG1 : rot 120:sc= -2.1 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -149:sc=-0.00641 (180deg=-0.246) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 17 HIS : no HE2:sc= -2.2 X(o=-2.2,f=-1.9) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.867) USER MOD Single : A 25 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.87) USER MOD Single : A 28 SER OG : rot 180:sc= -0.163 USER MOD Single : A 31 GLN : amide:sc= -0.625 K(o=-0.62,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0967) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.14) USER MOD Single : A 41 SER OG : rot 180:sc= -0.72 USER MOD Single : A 44 MET CE :methyl 148:sc= -0.611 (180deg=-2.92!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -4:sc= -0.411 USER MOD Single : A 51 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.42) USER MOD Single : A 54 SER OG : rot -149:sc= 0.0465 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.035) USER MOD Single : A 70 THR OG1 : rot -54:sc= 0.856 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 75 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.037) USER MOD Single : A 78 MET CE :methyl -107:sc= -0.914 (180deg=-5.12!) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 3.671 18.669 -6.741 1.00 0.00 N ATOM 217 CA ASN A 15 2.455 18.019 -6.265 1.00 0.00 C ATOM 218 C ASN A 15 2.650 17.466 -4.857 1.00 0.00 C ATOM 219 O ASN A 15 3.713 17.627 -4.257 1.00 0.00 O ATOM 220 CB ASN A 15 2.049 16.892 -7.217 1.00 0.00 C ATOM 221 CG ASN A 15 3.221 16.361 -8.018 1.00 0.00 C ATOM 222 OD1 ASN A 15 3.583 16.919 -9.054 1.00 0.00 O ATOM 223 ND2 ASN A 15 3.821 15.276 -7.541 1.00 0.00 N ATOM 0 HA ASN A 15 1.661 18.765 -6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.606 16.078 -6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.281 17.256 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.616 14.873 -8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.487 14.846 -6.678 1.00 0.00 H new ATOM 230 N ASP A 16 1.616 16.814 -4.336 1.00 0.00 N ATOM 231 CA ASP A 16 1.673 16.235 -2.998 1.00 0.00 C ATOM 232 C ASP A 16 2.503 14.954 -2.996 1.00 0.00 C ATOM 233 O ASP A 16 2.591 14.257 -4.007 1.00 0.00 O ATOM 234 CB ASP A 16 0.262 15.944 -2.485 1.00 0.00 C ATOM 235 CG ASP A 16 -0.457 17.198 -2.028 1.00 0.00 C ATOM 236 OD1 ASP A 16 0.119 17.949 -1.213 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.595 17.429 -2.486 1.00 0.00 O ATOM 0 H ASP A 16 0.729 16.673 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 16 2.150 16.957 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.317 15.464 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.318 15.238 -1.656 1.00 0.00 H new ATOM 242 N HIS A 17 3.110 14.651 -1.853 1.00 0.00 N ATOM 243 CA HIS A 17 3.933 13.454 -1.718 1.00 0.00 C ATOM 244 C HIS A 17 3.886 12.919 -0.290 1.00 0.00 C ATOM 245 O HIS A 17 4.516 13.474 0.611 1.00 0.00 O ATOM 246 CB HIS A 17 5.378 13.756 -2.115 1.00 0.00 C ATOM 247 CG HIS A 17 6.316 12.613 -1.878 1.00 0.00 C ATOM 248 ND1 HIS A 17 6.822 11.831 -2.896 1.00 0.00 N ATOM 249 CD2 HIS A 17 6.841 12.121 -0.732 1.00 0.00 C ATOM 250 CE1 HIS A 17 7.616 10.907 -2.386 1.00 0.00 C ATOM 251 NE2 HIS A 17 7.645 11.061 -1.074 1.00 0.00 N ATOM 0 H HIS A 17 3.048 15.218 -1.007 1.00 0.00 H new ATOM 0 HA HIS A 17 3.532 12.691 -2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 17 5.407 14.026 -3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.726 14.623 -1.554 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.615 11.948 -3.888 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.661 12.493 0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.150 10.154 -2.946 1.00 0.00 H new ATOM 259 N ILE A 18 3.135 11.841 -0.092 1.00 0.00 N ATOM 260 CA ILE A 18 3.006 11.233 1.226 1.00 0.00 C ATOM 261 C ILE A 18 3.796 9.931 1.310 1.00 0.00 C ATOM 262 O ILE A 18 4.567 9.602 0.410 1.00 0.00 O ATOM 263 CB ILE A 18 1.533 10.950 1.575 1.00 0.00 C ATOM 264 CG1 ILE A 18 1.007 9.775 0.748 1.00 0.00 C ATOM 265 CG2 ILE A 18 0.685 12.191 1.339 1.00 0.00 C ATOM 266 CD1 ILE A 18 -0.422 9.399 1.071 1.00 0.00 C ATOM 0 H ILE A 18 2.607 11.371 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 18 3.409 11.948 1.944 1.00 0.00 H new ATOM 0 HB ILE A 18 1.470 10.685 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.077 10.026 -0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.648 8.909 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.353 11.975 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.048 13.005 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.752 12.483 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.727 8.559 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.495 9.116 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.075 10.250 0.878 1.00 0.00 H new ATOM 278 N ASN A 19 3.595 9.192 2.397 1.00 0.00 N ATOM 279 CA ASN A 19 4.288 7.925 2.598 1.00 0.00 C ATOM 280 C ASN A 19 3.368 6.901 3.257 1.00 0.00 C ATOM 281 O ASN A 19 2.701 7.197 4.250 1.00 0.00 O ATOM 282 CB ASN A 19 5.536 8.132 3.458 1.00 0.00 C ATOM 283 CG ASN A 19 6.639 7.146 3.124 1.00 0.00 C ATOM 284 OD1 ASN A 19 7.632 7.500 2.489 1.00 0.00 O ATOM 285 ND2 ASN A 19 6.468 5.901 3.552 1.00 0.00 N ATOM 0 H ASN A 19 2.958 9.449 3.151 1.00 0.00 H new ATOM 0 HA ASN A 19 4.587 7.545 1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.906 9.148 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.269 8.032 4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.176 5.193 3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.628 5.652 4.075 1.00 0.00 H new ATOM 292 N LEU A 20 3.337 5.696 2.698 1.00 0.00 N ATOM 293 CA LEU A 20 2.499 4.627 3.231 1.00 0.00 C ATOM 294 C LEU A 20 3.302 3.342 3.407 1.00 0.00 C ATOM 295 O LEU A 20 4.293 3.117 2.712 1.00 0.00 O ATOM 296 CB LEU A 20 1.308 4.376 2.305 1.00 0.00 C ATOM 297 CG LEU A 20 -0.010 4.013 2.989 1.00 0.00 C ATOM 298 CD1 LEU A 20 -0.616 5.234 3.662 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.986 3.416 1.985 1.00 0.00 C ATOM 0 H LEU A 20 3.882 5.435 1.876 1.00 0.00 H new ATOM 0 HA LEU A 20 2.131 4.940 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.147 5.270 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.571 3.572 1.618 1.00 0.00 H new ATOM 0 HG LEU A 20 0.195 3.265 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.554 4.956 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.077 5.618 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.806 6.004 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.918 3.164 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.185 4.141 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.554 2.515 1.549 1.00 0.00 H new ATOM 311 N LYS A 21 2.866 2.501 4.338 1.00 0.00 N ATOM 312 CA LYS A 21 3.542 1.236 4.604 1.00 0.00 C ATOM 313 C LYS A 21 2.532 0.104 4.763 1.00 0.00 C ATOM 314 O LYS A 21 1.729 0.101 5.696 1.00 0.00 O ATOM 315 CB LYS A 21 4.402 1.348 5.864 1.00 0.00 C ATOM 316 CG LYS A 21 5.245 2.611 5.915 1.00 0.00 C ATOM 317 CD LYS A 21 6.397 2.473 6.897 1.00 0.00 C ATOM 318 CE LYS A 21 7.352 3.653 6.804 1.00 0.00 C ATOM 319 NZ LYS A 21 8.746 3.267 7.159 1.00 0.00 N ATOM 0 H LYS A 21 2.047 2.672 4.922 1.00 0.00 H new ATOM 0 HA LYS A 21 4.185 1.010 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.754 1.318 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.059 0.480 5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.637 2.829 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.619 3.456 6.203 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.005 2.400 7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.939 1.548 6.697 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.333 4.056 5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.014 4.447 7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.416 3.888 6.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.882 3.363 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.915 2.280 6.878 1.00 0.00 H new ATOM 333 N VAL A 22 2.579 -0.858 3.847 1.00 0.00 N ATOM 334 CA VAL A 22 1.671 -1.998 3.888 1.00 0.00 C ATOM 335 C VAL A 22 2.249 -3.132 4.727 1.00 0.00 C ATOM 336 O VAL A 22 2.962 -3.995 4.216 1.00 0.00 O ATOM 337 CB VAL A 22 1.367 -2.524 2.473 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.273 -3.580 2.519 1.00 0.00 C ATOM 339 CG2 VAL A 22 0.976 -1.379 1.551 1.00 0.00 C ATOM 0 H VAL A 22 3.236 -0.871 3.067 1.00 0.00 H new ATOM 0 HA VAL A 22 0.745 -1.649 4.345 1.00 0.00 H new ATOM 0 HB VAL A 22 2.270 -2.988 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.072 -3.940 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.597 -4.413 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.635 -3.145 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.765 -1.769 0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.088 -0.884 1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.795 -0.662 1.493 1.00 0.00 H new ATOM 349 N ALA A 23 1.936 -3.124 6.018 1.00 0.00 N ATOM 350 CA ALA A 23 2.422 -4.154 6.929 1.00 0.00 C ATOM 351 C ALA A 23 1.588 -5.425 6.815 1.00 0.00 C ATOM 352 O ALA A 23 0.416 -5.446 7.188 1.00 0.00 O ATOM 353 CB ALA A 23 2.412 -3.640 8.361 1.00 0.00 C ATOM 0 H ALA A 23 1.348 -2.416 6.457 1.00 0.00 H new ATOM 0 HA ALA A 23 3.447 -4.397 6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.777 -4.419 9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.057 -2.764 8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.395 -3.367 8.643 1.00 0.00 H new ATOM 359 N GLY A 24 2.201 -6.485 6.297 1.00 0.00 N ATOM 360 CA GLY A 24 1.499 -7.746 6.142 1.00 0.00 C ATOM 361 C GLY A 24 1.942 -8.784 7.155 1.00 0.00 C ATOM 362 O GLY A 24 2.994 -9.403 6.998 1.00 0.00 O ATOM 0 H GLY A 24 3.171 -6.493 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.427 -7.577 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.666 -8.130 5.136 1.00 0.00 H new ATOM 366 N GLN A 25 1.139 -8.972 8.197 1.00 0.00 N ATOM 367 CA GLN A 25 1.456 -9.941 9.240 1.00 0.00 C ATOM 368 C GLN A 25 1.583 -11.345 8.659 1.00 0.00 C ATOM 369 O GLN A 25 2.395 -12.147 9.120 1.00 0.00 O ATOM 370 CB GLN A 25 0.379 -9.921 10.327 1.00 0.00 C ATOM 371 CG GLN A 25 0.907 -10.260 11.712 1.00 0.00 C ATOM 372 CD GLN A 25 0.121 -9.583 12.817 1.00 0.00 C ATOM 373 OE1 GLN A 25 -0.272 -8.422 12.694 1.00 0.00 O ATOM 374 NE2 GLN A 25 -0.112 -10.306 13.906 1.00 0.00 N ATOM 0 H GLN A 25 0.265 -8.467 8.342 1.00 0.00 H new ATOM 0 HA GLN A 25 2.413 -9.663 9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.080 -8.933 10.354 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.406 -10.630 10.063 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.872 -11.340 11.856 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.953 -9.963 11.781 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.232 -11.264 13.965 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.635 -9.903 14.683 1.00 0.00 H new ATOM 383 N ASP A 26 0.776 -11.635 7.644 1.00 0.00 N ATOM 384 CA ASP A 26 0.799 -12.943 6.999 1.00 0.00 C ATOM 385 C ASP A 26 1.706 -12.928 5.773 1.00 0.00 C ATOM 386 O ASP A 26 1.556 -13.747 4.867 1.00 0.00 O ATOM 387 CB ASP A 26 -0.616 -13.362 6.597 1.00 0.00 C ATOM 388 CG ASP A 26 -1.307 -14.175 7.674 1.00 0.00 C ATOM 389 OD1 ASP A 26 -0.779 -14.233 8.805 1.00 0.00 O ATOM 390 OD2 ASP A 26 -2.377 -14.752 7.387 1.00 0.00 O ATOM 0 H ASP A 26 0.098 -10.982 7.250 1.00 0.00 H new ATOM 0 HA ASP A 26 1.195 -13.666 7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.208 -12.472 6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.572 -13.946 5.678 1.00 0.00 H new ATOM 395 N GLY A 27 2.648 -11.989 5.751 1.00 0.00 N ATOM 396 CA GLY A 27 3.564 -11.885 4.631 1.00 0.00 C ATOM 397 C GLY A 27 4.792 -11.058 4.961 1.00 0.00 C ATOM 398 O GLY A 27 5.845 -11.603 5.289 1.00 0.00 O ATOM 0 H GLY A 27 2.792 -11.299 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.874 -12.884 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.046 -11.438 3.782 1.00 0.00 H new ATOM 402 N SER A 28 4.656 -9.739 4.874 1.00 0.00 N ATOM 403 CA SER A 28 5.764 -8.836 5.160 1.00 0.00 C ATOM 404 C SER A 28 5.341 -7.381 4.979 1.00 0.00 C ATOM 405 O SER A 28 4.353 -7.090 4.305 1.00 0.00 O ATOM 406 CB SER A 28 6.954 -9.149 4.251 1.00 0.00 C ATOM 407 OG SER A 28 7.918 -8.112 4.297 1.00 0.00 O ATOM 0 H SER A 28 3.789 -9.272 4.608 1.00 0.00 H new ATOM 0 HA SER A 28 6.060 -8.984 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.412 -10.089 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.607 -9.282 3.226 1.00 0.00 H new ATOM 0 HG SER A 28 8.669 -8.337 3.709 1.00 0.00 H new ATOM 413 N VAL A 29 6.096 -6.472 5.587 1.00 0.00 N ATOM 414 CA VAL A 29 5.801 -5.047 5.493 1.00 0.00 C ATOM 415 C VAL A 29 6.610 -4.390 4.380 1.00 0.00 C ATOM 416 O VAL A 29 7.769 -4.736 4.154 1.00 0.00 O ATOM 417 CB VAL A 29 6.094 -4.324 6.821 1.00 0.00 C ATOM 418 CG1 VAL A 29 7.561 -4.470 7.195 1.00 0.00 C ATOM 419 CG2 VAL A 29 5.702 -2.857 6.727 1.00 0.00 C ATOM 0 H VAL A 29 6.916 -6.697 6.150 1.00 0.00 H new ATOM 0 HA VAL A 29 4.738 -4.958 5.267 1.00 0.00 H new ATOM 0 HB VAL A 29 5.496 -4.786 7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.750 -3.953 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.805 -5.527 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.181 -4.035 6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.916 -2.362 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.272 -2.378 5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.637 -2.778 6.509 1.00 0.00 H new ATOM 429 N VAL A 30 5.990 -3.440 3.688 1.00 0.00 N ATOM 430 CA VAL A 30 6.653 -2.733 2.598 1.00 0.00 C ATOM 431 C VAL A 30 6.271 -1.257 2.588 1.00 0.00 C ATOM 432 O VAL A 30 5.141 -0.897 2.917 1.00 0.00 O ATOM 433 CB VAL A 30 6.303 -3.352 1.232 1.00 0.00 C ATOM 434 CG1 VAL A 30 7.123 -2.705 0.126 1.00 0.00 C ATOM 435 CG2 VAL A 30 6.521 -4.857 1.258 1.00 0.00 C ATOM 0 H VAL A 30 5.030 -3.142 3.862 1.00 0.00 H new ATOM 0 HA VAL A 30 7.726 -2.827 2.766 1.00 0.00 H new ATOM 0 HB VAL A 30 5.249 -3.164 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.862 -3.155 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.912 -1.636 0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.184 -2.859 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.269 -5.278 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.566 -5.069 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.885 -5.304 2.022 1.00 0.00 H new ATOM 445 N GLN A 31 7.220 -0.408 2.209 1.00 0.00 N ATOM 446 CA GLN A 31 6.983 1.030 2.156 1.00 0.00 C ATOM 447 C GLN A 31 6.788 1.497 0.718 1.00 0.00 C ATOM 448 O GLN A 31 7.314 0.894 -0.218 1.00 0.00 O ATOM 449 CB GLN A 31 8.149 1.784 2.797 1.00 0.00 C ATOM 450 CG GLN A 31 8.514 1.276 4.182 1.00 0.00 C ATOM 451 CD GLN A 31 9.402 0.048 4.138 1.00 0.00 C ATOM 452 OE1 GLN A 31 9.891 -0.340 3.077 1.00 0.00 O ATOM 453 NE2 GLN A 31 9.615 -0.571 5.293 1.00 0.00 N ATOM 0 H GLN A 31 8.161 -0.691 1.934 1.00 0.00 H new ATOM 0 HA GLN A 31 6.071 1.244 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.022 1.706 2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.895 2.842 2.862 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.022 2.068 4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.602 1.041 4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.189 -0.215 6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.204 -1.403 5.325 1.00 0.00 H new ATOM 462 N PHE A 32 6.030 2.575 0.548 1.00 0.00 N ATOM 463 CA PHE A 32 5.765 3.123 -0.777 1.00 0.00 C ATOM 464 C PHE A 32 5.538 4.630 -0.707 1.00 0.00 C ATOM 465 O PHE A 32 5.193 5.170 0.345 1.00 0.00 O ATOM 466 CB PHE A 32 4.545 2.440 -1.399 1.00 0.00 C ATOM 467 CG PHE A 32 4.894 1.456 -2.479 1.00 0.00 C ATOM 468 CD1 PHE A 32 5.199 0.141 -2.164 1.00 0.00 C ATOM 469 CD2 PHE A 32 4.918 1.845 -3.808 1.00 0.00 C ATOM 470 CE1 PHE A 32 5.521 -0.766 -3.155 1.00 0.00 C ATOM 471 CE2 PHE A 32 5.239 0.942 -4.804 1.00 0.00 C ATOM 472 CZ PHE A 32 5.540 -0.366 -4.477 1.00 0.00 C ATOM 0 H PHE A 32 5.588 3.087 1.312 1.00 0.00 H new ATOM 0 HA PHE A 32 6.637 2.934 -1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.988 1.925 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.884 3.202 -1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.185 -0.178 -1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.683 2.866 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.758 -1.787 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.254 1.259 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.790 -1.074 -5.253 1.00 0.00 H new ATOM 482 N LYS A 33 5.734 5.305 -1.835 1.00 0.00 N ATOM 483 CA LYS A 33 5.552 6.750 -1.904 1.00 0.00 C ATOM 484 C LYS A 33 4.577 7.122 -3.017 1.00 0.00 C ATOM 485 O LYS A 33 4.656 6.593 -4.126 1.00 0.00 O ATOM 486 CB LYS A 33 6.896 7.444 -2.135 1.00 0.00 C ATOM 487 CG LYS A 33 8.029 6.867 -1.306 1.00 0.00 C ATOM 488 CD LYS A 33 9.185 7.846 -1.183 1.00 0.00 C ATOM 489 CE LYS A 33 10.087 7.799 -2.406 1.00 0.00 C ATOM 490 NZ LYS A 33 10.923 6.567 -2.432 1.00 0.00 N ATOM 0 H LYS A 33 6.019 4.874 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 33 5.137 7.085 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.156 7.371 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.792 8.504 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.660 6.611 -0.313 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.381 5.942 -1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.796 8.856 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.767 7.613 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.478 7.843 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.733 8.677 -2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.682 6.677 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.341 6.411 -1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.331 5.751 -2.687 1.00 0.00 H new ATOM 504 N ILE A 34 3.661 8.035 -2.714 1.00 0.00 N ATOM 505 CA ILE A 34 2.673 8.479 -3.690 1.00 0.00 C ATOM 506 C ILE A 34 2.093 9.836 -3.306 1.00 0.00 C ATOM 507 O ILE A 34 2.314 10.328 -2.199 1.00 0.00 O ATOM 508 CB ILE A 34 1.524 7.463 -3.830 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.911 7.544 -5.229 1.00 0.00 C ATOM 510 CG2 ILE A 34 0.465 7.712 -2.766 1.00 0.00 C ATOM 511 CD1 ILE A 34 0.493 6.200 -5.784 1.00 0.00 C ATOM 0 H ILE A 34 3.582 8.482 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 34 3.190 8.565 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 34 1.925 6.460 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.042 8.202 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.632 8.000 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.341 6.986 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.912 7.609 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.064 8.719 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.067 6.334 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.363 5.546 -5.847 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.252 5.751 -5.127 1.00 0.00 H new ATOM 523 N LYS A 35 1.349 10.437 -4.229 1.00 0.00 N ATOM 524 CA LYS A 35 0.733 11.737 -3.988 1.00 0.00 C ATOM 525 C LYS A 35 -0.496 11.600 -3.095 1.00 0.00 C ATOM 526 O LYS A 35 -0.825 10.504 -2.641 1.00 0.00 O ATOM 527 CB LYS A 35 0.342 12.392 -5.314 1.00 0.00 C ATOM 528 CG LYS A 35 -0.750 11.647 -6.062 1.00 0.00 C ATOM 529 CD LYS A 35 -1.018 12.269 -7.423 1.00 0.00 C ATOM 530 CE LYS A 35 -1.776 13.581 -7.296 1.00 0.00 C ATOM 531 NZ LYS A 35 -1.852 14.306 -8.594 1.00 0.00 N ATOM 0 H LYS A 35 1.158 10.044 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 35 1.462 12.368 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.008 13.412 -5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.225 12.460 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.459 10.604 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.666 11.653 -5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.073 12.442 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.592 11.574 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.784 13.384 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.286 14.213 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.376 15.195 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.891 14.517 -8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.342 13.714 -9.294 1.00 0.00 H new ATOM 545 N ARG A 36 -1.170 12.718 -2.848 1.00 0.00 N ATOM 546 CA ARG A 36 -2.363 12.722 -2.010 1.00 0.00 C ATOM 547 C ARG A 36 -3.563 12.163 -2.769 1.00 0.00 C ATOM 548 O ARG A 36 -4.203 11.210 -2.324 1.00 0.00 O ATOM 549 CB ARG A 36 -2.667 14.141 -1.526 1.00 0.00 C ATOM 550 CG ARG A 36 -3.783 14.206 -0.496 1.00 0.00 C ATOM 551 CD ARG A 36 -3.784 15.537 0.241 1.00 0.00 C ATOM 552 NE ARG A 36 -4.228 15.396 1.625 1.00 0.00 N ATOM 553 CZ ARG A 36 -4.675 16.408 2.359 1.00 0.00 C ATOM 554 NH1 ARG A 36 -4.738 17.629 1.845 1.00 0.00 N ATOM 555 NH2 ARG A 36 -5.061 16.201 3.612 1.00 0.00 N ATOM 0 H ARG A 36 -0.910 13.633 -3.216 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.172 12.084 -1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.762 14.571 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.938 14.758 -2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.744 14.061 -0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.667 13.392 0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.780 15.962 0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.436 16.239 -0.279 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.193 14.470 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.442 17.793 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.082 18.404 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.014 15.264 4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.404 16.979 4.175 1.00 0.00 H new ATOM 569 N HIS A 37 -3.862 12.763 -3.916 1.00 0.00 N ATOM 570 CA HIS A 37 -4.985 12.325 -4.738 1.00 0.00 C ATOM 571 C HIS A 37 -4.532 11.308 -5.781 1.00 0.00 C ATOM 572 O HIS A 37 -4.424 11.624 -6.966 1.00 0.00 O ATOM 573 CB HIS A 37 -5.638 13.524 -5.427 1.00 0.00 C ATOM 574 CG HIS A 37 -6.781 13.152 -6.320 1.00 0.00 C ATOM 575 ND1 HIS A 37 -7.717 12.196 -5.986 1.00 0.00 N ATOM 576 CD2 HIS A 37 -7.137 13.614 -7.542 1.00 0.00 C ATOM 577 CE1 HIS A 37 -8.598 12.086 -6.964 1.00 0.00 C ATOM 578 NE2 HIS A 37 -8.269 12.936 -7.920 1.00 0.00 N ATOM 0 H HIS A 37 -3.343 13.554 -4.298 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.716 11.848 -4.086 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -5.993 14.220 -4.667 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.885 14.050 -6.014 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.625 14.375 -8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -9.444 11.415 -6.979 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -8.774 13.067 -8.796 1.00 0.00 H new ATOM 586 N THR A 38 -4.267 10.085 -5.332 1.00 0.00 N ATOM 587 CA THR A 38 -3.824 9.022 -6.225 1.00 0.00 C ATOM 588 C THR A 38 -4.805 7.855 -6.220 1.00 0.00 C ATOM 589 O THR A 38 -5.361 7.484 -5.186 1.00 0.00 O ATOM 590 CB THR A 38 -2.427 8.505 -5.833 1.00 0.00 C ATOM 591 OG1 THR A 38 -1.802 7.880 -6.960 1.00 0.00 O ATOM 592 CG2 THR A 38 -2.519 7.514 -4.684 1.00 0.00 C ATOM 0 H THR A 38 -4.352 9.806 -4.354 1.00 0.00 H new ATOM 0 HA THR A 38 -3.777 9.450 -7.227 1.00 0.00 H new ATOM 0 HB THR A 38 -1.827 9.356 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.968 8.349 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.520 7.163 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.968 8.001 -3.818 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.135 6.666 -4.983 1.00 0.00 H new ATOM 600 N PRO A 39 -5.023 7.260 -7.403 1.00 0.00 N ATOM 601 CA PRO A 39 -5.937 6.125 -7.560 1.00 0.00 C ATOM 602 C PRO A 39 -5.401 4.855 -6.910 1.00 0.00 C ATOM 603 O PRO A 39 -4.402 4.290 -7.356 1.00 0.00 O ATOM 604 CB PRO A 39 -6.028 5.951 -9.078 1.00 0.00 C ATOM 605 CG PRO A 39 -4.755 6.521 -9.602 1.00 0.00 C ATOM 606 CD PRO A 39 -4.395 7.650 -8.676 1.00 0.00 C ATOM 0 HA PRO A 39 -6.898 6.306 -7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.133 4.901 -9.350 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.893 6.474 -9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.969 5.767 -9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.879 6.879 -10.624 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.315 7.758 -8.575 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.778 8.604 -9.038 1.00 0.00 H new ATOM 614 N LEU A 40 -6.071 4.409 -5.852 1.00 0.00 N ATOM 615 CA LEU A 40 -5.662 3.204 -5.140 1.00 0.00 C ATOM 616 C LEU A 40 -5.461 2.041 -6.107 1.00 0.00 C ATOM 617 O LEU A 40 -4.681 1.127 -5.840 1.00 0.00 O ATOM 618 CB LEU A 40 -6.707 2.831 -4.086 1.00 0.00 C ATOM 619 CG LEU A 40 -6.592 3.552 -2.743 1.00 0.00 C ATOM 620 CD1 LEU A 40 -7.715 3.125 -1.811 1.00 0.00 C ATOM 621 CD2 LEU A 40 -5.237 3.283 -2.107 1.00 0.00 C ATOM 0 H LEU A 40 -6.900 4.864 -5.469 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.713 3.409 -4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.696 3.029 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.645 1.758 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.681 4.624 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.617 3.648 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.676 3.370 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.658 2.050 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.173 3.804 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.118 2.212 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.447 3.640 -2.768 1.00 0.00 H new ATOM 633 N SER A 41 -6.168 2.085 -7.231 1.00 0.00 N ATOM 634 CA SER A 41 -6.069 1.034 -8.238 1.00 0.00 C ATOM 635 C SER A 41 -4.610 0.743 -8.577 1.00 0.00 C ATOM 636 O SER A 41 -4.150 -0.394 -8.472 1.00 0.00 O ATOM 637 CB SER A 41 -6.828 1.438 -9.504 1.00 0.00 C ATOM 638 OG SER A 41 -6.398 2.704 -9.974 1.00 0.00 O ATOM 0 H SER A 41 -6.816 2.837 -7.468 1.00 0.00 H new ATOM 0 HA SER A 41 -6.517 0.129 -7.828 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.674 0.687 -10.279 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.898 1.468 -9.297 1.00 0.00 H new ATOM 0 HG SER A 41 -6.897 2.939 -10.784 1.00 0.00 H new ATOM 644 N LYS A 42 -3.886 1.780 -8.985 1.00 0.00 N ATOM 645 CA LYS A 42 -2.478 1.639 -9.339 1.00 0.00 C ATOM 646 C LYS A 42 -1.707 0.929 -8.231 1.00 0.00 C ATOM 647 O LYS A 42 -0.705 0.261 -8.488 1.00 0.00 O ATOM 648 CB LYS A 42 -1.859 3.012 -9.607 1.00 0.00 C ATOM 649 CG LYS A 42 -1.447 3.751 -8.346 1.00 0.00 C ATOM 650 CD LYS A 42 -1.242 5.233 -8.609 1.00 0.00 C ATOM 651 CE LYS A 42 0.109 5.502 -9.255 1.00 0.00 C ATOM 652 NZ LYS A 42 0.384 6.960 -9.378 1.00 0.00 N ATOM 0 H LYS A 42 -4.251 2.728 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.415 1.036 -10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.986 2.889 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.574 3.622 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.211 3.619 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.526 3.319 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.037 5.602 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.314 5.784 -7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.895 5.033 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.137 5.042 -10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.971 7.133 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.514 7.476 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.887 7.291 -8.530 1.00 0.00 H new ATOM 666 N LEU A 43 -2.181 1.076 -6.999 1.00 0.00 N ATOM 667 CA LEU A 43 -1.536 0.448 -5.851 1.00 0.00 C ATOM 668 C LEU A 43 -1.815 -1.052 -5.824 1.00 0.00 C ATOM 669 O LEU A 43 -0.926 -1.853 -5.534 1.00 0.00 O ATOM 670 CB LEU A 43 -2.023 1.092 -4.552 1.00 0.00 C ATOM 671 CG LEU A 43 -0.980 1.237 -3.443 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.182 2.100 -3.912 1.00 0.00 C ATOM 673 CD2 LEU A 43 -1.612 1.826 -2.190 1.00 0.00 C ATOM 0 H LEU A 43 -3.010 1.625 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.460 0.598 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.416 2.082 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.854 0.502 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.595 0.246 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.914 2.192 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.651 1.638 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.186 3.090 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.855 1.922 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.025 2.809 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.410 1.170 -1.842 1.00 0.00 H new ATOM 685 N MET A 44 -3.054 -1.424 -6.129 1.00 0.00 N ATOM 686 CA MET A 44 -3.448 -2.828 -6.143 1.00 0.00 C ATOM 687 C MET A 44 -2.885 -3.539 -7.369 1.00 0.00 C ATOM 688 O MET A 44 -2.292 -4.612 -7.260 1.00 0.00 O ATOM 689 CB MET A 44 -4.973 -2.952 -6.122 1.00 0.00 C ATOM 690 CG MET A 44 -5.622 -2.269 -4.929 1.00 0.00 C ATOM 691 SD MET A 44 -7.256 -1.610 -5.310 1.00 0.00 S ATOM 692 CE MET A 44 -7.612 -0.698 -3.811 1.00 0.00 C ATOM 0 H MET A 44 -3.802 -0.773 -6.370 1.00 0.00 H new ATOM 0 HA MET A 44 -3.040 -3.303 -5.251 1.00 0.00 H new ATOM 0 HB2 MET A 44 -5.377 -2.524 -7.039 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.243 -4.008 -6.117 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.704 -2.981 -4.108 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.979 -1.459 -4.585 1.00 0.00 H new ATOM 0 HE1 MET A 44 -8.226 0.170 -4.050 1.00 0.00 H new ATOM 0 HE2 MET A 44 -8.149 -1.341 -3.113 1.00 0.00 H new ATOM 0 HE3 MET A 44 -6.678 -0.368 -3.356 1.00 0.00 H new ATOM 702 N LYS A 45 -3.074 -2.934 -8.537 1.00 0.00 N ATOM 703 CA LYS A 45 -2.585 -3.508 -9.785 1.00 0.00 C ATOM 704 C LYS A 45 -1.111 -3.885 -9.669 1.00 0.00 C ATOM 705 O LYS A 45 -0.713 -4.988 -10.040 1.00 0.00 O ATOM 706 CB LYS A 45 -2.781 -2.519 -10.936 1.00 0.00 C ATOM 707 CG LYS A 45 -4.219 -2.417 -11.413 1.00 0.00 C ATOM 708 CD LYS A 45 -4.520 -1.043 -11.989 1.00 0.00 C ATOM 709 CE LYS A 45 -4.113 -0.951 -13.452 1.00 0.00 C ATOM 710 NZ LYS A 45 -5.187 -1.442 -14.358 1.00 0.00 N ATOM 0 H LYS A 45 -3.563 -2.045 -8.645 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.158 -4.412 -9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.442 -1.533 -10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.150 -2.819 -11.773 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.407 -3.179 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.894 -2.620 -10.582 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.585 -0.832 -11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.991 -0.283 -11.414 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.875 0.084 -13.698 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.206 -1.534 -13.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.871 -1.363 -15.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.397 -2.437 -14.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.045 -0.870 -14.222 1.00 0.00 H new ATOM 724 N ALA A 46 -0.308 -2.961 -9.151 1.00 0.00 N ATOM 725 CA ALA A 46 1.120 -3.199 -8.984 1.00 0.00 C ATOM 726 C ALA A 46 1.375 -4.396 -8.074 1.00 0.00 C ATOM 727 O ALA A 46 1.962 -5.393 -8.494 1.00 0.00 O ATOM 728 CB ALA A 46 1.800 -1.956 -8.428 1.00 0.00 C ATOM 0 H ALA A 46 -0.622 -2.042 -8.840 1.00 0.00 H new ATOM 0 HA ALA A 46 1.543 -3.424 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.866 -2.147 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.656 -1.124 -9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.365 -1.706 -7.460 1.00 0.00 H new ATOM 734 N TYR A 47 0.931 -4.290 -6.827 1.00 0.00 N ATOM 735 CA TYR A 47 1.113 -5.363 -5.857 1.00 0.00 C ATOM 736 C TYR A 47 0.641 -6.697 -6.425 1.00 0.00 C ATOM 737 O TYR A 47 1.401 -7.665 -6.480 1.00 0.00 O ATOM 738 CB TYR A 47 0.353 -5.047 -4.567 1.00 0.00 C ATOM 739 CG TYR A 47 0.522 -6.098 -3.493 1.00 0.00 C ATOM 740 CD1 TYR A 47 1.702 -6.823 -3.381 1.00 0.00 C ATOM 741 CD2 TYR A 47 -0.500 -6.366 -2.590 1.00 0.00 C ATOM 742 CE1 TYR A 47 1.859 -7.784 -2.401 1.00 0.00 C ATOM 743 CE2 TYR A 47 -0.351 -7.324 -1.606 1.00 0.00 C ATOM 744 CZ TYR A 47 0.830 -8.031 -1.516 1.00 0.00 C ATOM 745 OH TYR A 47 0.984 -8.987 -0.538 1.00 0.00 O ATOM 0 H TYR A 47 0.442 -3.472 -6.464 1.00 0.00 H new ATOM 0 HA TYR A 47 2.177 -5.440 -5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.693 -4.086 -4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.707 -4.941 -4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.510 -6.632 -4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.427 -5.816 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.783 -8.339 -2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.155 -7.518 -0.911 1.00 0.00 H new ATOM 0 HH TYR A 47 0.168 -9.037 0.002 1.00 0.00 H new ATOM 755 N CYS A 48 -0.617 -6.741 -6.848 1.00 0.00 N ATOM 756 CA CYS A 48 -1.193 -7.956 -7.412 1.00 0.00 C ATOM 757 C CYS A 48 -0.321 -8.497 -8.541 1.00 0.00 C ATOM 758 O CYS A 48 -0.192 -9.708 -8.713 1.00 0.00 O ATOM 759 CB CYS A 48 -2.606 -7.684 -7.929 1.00 0.00 C ATOM 760 SG CYS A 48 -3.283 -9.007 -8.959 1.00 0.00 S ATOM 0 H CYS A 48 -1.258 -5.949 -6.811 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.241 -8.706 -6.622 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.268 -7.526 -7.078 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.599 -6.758 -8.504 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.382 -9.928 -9.130 1.00 0.00 H new ATOM 766 N GLU A 49 0.274 -7.589 -9.309 1.00 0.00 N ATOM 767 CA GLU A 49 1.132 -7.976 -10.423 1.00 0.00 C ATOM 768 C GLU A 49 2.181 -8.990 -9.976 1.00 0.00 C ATOM 769 O GLU A 49 2.196 -10.129 -10.441 1.00 0.00 O ATOM 770 CB GLU A 49 1.817 -6.745 -11.019 1.00 0.00 C ATOM 771 CG GLU A 49 2.325 -6.957 -12.436 1.00 0.00 C ATOM 772 CD GLU A 49 3.535 -6.101 -12.756 1.00 0.00 C ATOM 773 OE1 GLU A 49 4.526 -6.169 -12.000 1.00 0.00 O ATOM 774 OE2 GLU A 49 3.490 -5.363 -13.762 1.00 0.00 O ATOM 0 H GLU A 49 0.178 -6.582 -9.180 1.00 0.00 H new ATOM 0 HA GLU A 49 0.507 -8.440 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.115 -5.911 -11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.654 -6.461 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.581 -8.008 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.526 -6.729 -13.142 1.00 0.00 H new ATOM 781 N ARG A 50 3.057 -8.565 -9.071 1.00 0.00 N ATOM 782 CA ARG A 50 4.111 -9.434 -8.561 1.00 0.00 C ATOM 783 C ARG A 50 3.539 -10.483 -7.612 1.00 0.00 C ATOM 784 O ARG A 50 4.026 -11.612 -7.554 1.00 0.00 O ATOM 785 CB ARG A 50 5.179 -8.609 -7.843 1.00 0.00 C ATOM 786 CG ARG A 50 4.633 -7.767 -6.701 1.00 0.00 C ATOM 787 CD ARG A 50 4.727 -8.501 -5.373 1.00 0.00 C ATOM 788 NE ARG A 50 6.013 -8.281 -4.716 1.00 0.00 N ATOM 789 CZ ARG A 50 6.238 -8.542 -3.433 1.00 0.00 C ATOM 790 NH1 ARG A 50 5.267 -9.030 -2.673 1.00 0.00 N ATOM 791 NH2 ARG A 50 7.435 -8.315 -2.908 1.00 0.00 N ATOM 0 H ARG A 50 3.058 -7.625 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 50 4.567 -9.946 -9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.944 -9.281 -7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.667 -7.954 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.188 -6.831 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.593 -7.509 -6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.923 -8.168 -4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.582 -9.569 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 50 6.781 -7.906 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.345 -9.206 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.442 -9.230 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.184 -7.940 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.606 -8.516 -1.923 1.00 0.00 H new ATOM 805 N GLN A 51 2.505 -10.101 -6.870 1.00 0.00 N ATOM 806 CA GLN A 51 1.869 -11.009 -5.922 1.00 0.00 C ATOM 807 C GLN A 51 0.352 -10.857 -5.958 1.00 0.00 C ATOM 808 O GLN A 51 -0.230 -10.137 -5.148 1.00 0.00 O ATOM 809 CB GLN A 51 2.386 -10.747 -4.507 1.00 0.00 C ATOM 810 CG GLN A 51 3.631 -11.546 -4.156 1.00 0.00 C ATOM 811 CD GLN A 51 3.336 -13.016 -3.933 1.00 0.00 C ATOM 812 OE1 GLN A 51 3.079 -13.446 -2.808 1.00 0.00 O ATOM 813 NE2 GLN A 51 3.373 -13.797 -5.007 1.00 0.00 N ATOM 0 H GLN A 51 2.090 -9.170 -6.907 1.00 0.00 H new ATOM 0 HA GLN A 51 2.121 -12.030 -6.210 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.604 -9.684 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.599 -10.984 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.362 -11.443 -4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.084 -11.129 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.590 -13.398 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.184 -14.795 -4.918 1.00 0.00 H new ATOM 822 N GLY A 52 -0.284 -11.541 -6.904 1.00 0.00 N ATOM 823 CA GLY A 52 -1.728 -11.468 -7.029 1.00 0.00 C ATOM 824 C GLY A 52 -2.443 -12.288 -5.973 1.00 0.00 C ATOM 825 O GLY A 52 -3.088 -13.290 -6.285 1.00 0.00 O ATOM 0 H GLY A 52 0.175 -12.145 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.044 -10.428 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.022 -11.819 -8.018 1.00 0.00 H new ATOM 829 N LEU A 53 -2.329 -11.863 -4.719 1.00 0.00 N ATOM 830 CA LEU A 53 -2.968 -12.566 -3.612 1.00 0.00 C ATOM 831 C LEU A 53 -3.693 -11.588 -2.692 1.00 0.00 C ATOM 832 O LEU A 53 -3.674 -11.740 -1.471 1.00 0.00 O ATOM 833 CB LEU A 53 -1.929 -13.358 -2.816 1.00 0.00 C ATOM 834 CG LEU A 53 -0.782 -13.963 -3.626 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.203 -14.672 -2.709 1.00 0.00 C ATOM 836 CD2 LEU A 53 -1.319 -14.922 -4.678 1.00 0.00 C ATOM 0 H LEU A 53 -1.800 -11.035 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.701 -13.257 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.504 -12.701 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.441 -14.164 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.257 -13.155 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.012 -15.096 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.613 -13.959 -1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.310 -15.470 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.488 -15.343 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.870 -15.726 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.984 -14.385 -5.354 1.00 0.00 H new ATOM 848 N SER A 54 -4.332 -10.587 -3.288 1.00 0.00 N ATOM 849 CA SER A 54 -5.062 -9.583 -2.522 1.00 0.00 C ATOM 850 C SER A 54 -6.305 -9.122 -3.277 1.00 0.00 C ATOM 851 O SER A 54 -6.585 -9.593 -4.379 1.00 0.00 O ATOM 852 CB SER A 54 -4.160 -8.384 -2.223 1.00 0.00 C ATOM 853 OG SER A 54 -3.731 -7.757 -3.419 1.00 0.00 O ATOM 0 H SER A 54 -4.359 -10.449 -4.298 1.00 0.00 H new ATOM 0 HA SER A 54 -5.376 -10.036 -1.582 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.698 -7.665 -1.605 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.293 -8.711 -1.649 1.00 0.00 H new ATOM 0 HG SER A 54 -2.845 -7.362 -3.282 1.00 0.00 H new ATOM 859 N MET A 55 -7.048 -8.200 -2.674 1.00 0.00 N ATOM 860 CA MET A 55 -8.261 -7.674 -3.289 1.00 0.00 C ATOM 861 C MET A 55 -9.325 -8.760 -3.407 1.00 0.00 C ATOM 862 O MET A 55 -10.336 -8.581 -4.087 1.00 0.00 O ATOM 863 CB MET A 55 -7.949 -7.097 -4.671 1.00 0.00 C ATOM 864 CG MET A 55 -9.126 -6.375 -5.308 1.00 0.00 C ATOM 865 SD MET A 55 -8.630 -4.881 -6.188 1.00 0.00 S ATOM 866 CE MET A 55 -8.611 -5.474 -7.878 1.00 0.00 C ATOM 0 H MET A 55 -6.831 -7.802 -1.760 1.00 0.00 H new ATOM 0 HA MET A 55 -8.647 -6.879 -2.651 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.111 -6.405 -4.586 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.629 -7.905 -5.329 1.00 0.00 H new ATOM 0 HG2 MET A 55 -9.630 -7.050 -6.000 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.849 -6.114 -4.535 1.00 0.00 H new ATOM 0 HE1 MET A 55 -8.321 -4.662 -8.545 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.895 -6.291 -7.969 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.605 -5.830 -8.150 1.00 0.00 H new ATOM 876 N ARG A 56 -9.092 -9.886 -2.740 1.00 0.00 N ATOM 877 CA ARG A 56 -10.030 -11.002 -2.772 1.00 0.00 C ATOM 878 C ARG A 56 -10.386 -11.453 -1.358 1.00 0.00 C ATOM 879 O ARG A 56 -11.525 -11.831 -1.086 1.00 0.00 O ATOM 880 CB ARG A 56 -9.437 -12.172 -3.559 1.00 0.00 C ATOM 881 CG ARG A 56 -9.000 -11.801 -4.966 1.00 0.00 C ATOM 882 CD ARG A 56 -8.774 -13.036 -5.823 1.00 0.00 C ATOM 883 NE ARG A 56 -7.372 -13.445 -5.835 1.00 0.00 N ATOM 884 CZ ARG A 56 -6.836 -14.260 -4.934 1.00 0.00 C ATOM 885 NH1 ARG A 56 -7.582 -14.752 -3.954 1.00 0.00 N ATOM 886 NH2 ARG A 56 -5.552 -14.586 -5.012 1.00 0.00 N ATOM 0 H ARG A 56 -8.262 -10.049 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.941 -10.665 -3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.580 -12.568 -3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.175 -12.972 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.758 -11.169 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.082 -11.215 -4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.387 -13.855 -5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.102 -12.834 -6.843 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.771 -13.085 -6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.570 -14.505 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.168 -15.378 -3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.975 -14.210 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.142 -15.212 -4.319 1.00 0.00 H new ATOM 900 N GLN A 57 -9.403 -11.411 -0.464 1.00 0.00 N ATOM 901 CA GLN A 57 -9.613 -11.816 0.920 1.00 0.00 C ATOM 902 C GLN A 57 -8.992 -10.810 1.883 1.00 0.00 C ATOM 903 O GLN A 57 -9.579 -10.478 2.913 1.00 0.00 O ATOM 904 CB GLN A 57 -9.019 -13.205 1.163 1.00 0.00 C ATOM 905 CG GLN A 57 -9.844 -14.333 0.563 1.00 0.00 C ATOM 906 CD GLN A 57 -9.074 -15.636 0.476 1.00 0.00 C ATOM 907 OE1 GLN A 57 -8.329 -15.992 1.389 1.00 0.00 O ATOM 908 NE2 GLN A 57 -9.251 -16.355 -0.626 1.00 0.00 N ATOM 0 H GLN A 57 -8.454 -11.101 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.687 -11.850 1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.013 -13.239 0.744 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.923 -13.367 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.739 -14.484 1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.176 -14.044 -0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.879 -16.021 -1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.759 -17.241 -0.741 1.00 0.00 H new ATOM 917 N ILE A 58 -7.802 -10.327 1.540 1.00 0.00 N ATOM 918 CA ILE A 58 -7.102 -9.358 2.374 1.00 0.00 C ATOM 919 C ILE A 58 -7.878 -8.049 2.464 1.00 0.00 C ATOM 920 O ILE A 58 -8.566 -7.657 1.521 1.00 0.00 O ATOM 921 CB ILE A 58 -5.689 -9.068 1.835 1.00 0.00 C ATOM 922 CG1 ILE A 58 -4.912 -10.373 1.650 1.00 0.00 C ATOM 923 CG2 ILE A 58 -4.945 -8.131 2.775 1.00 0.00 C ATOM 924 CD1 ILE A 58 -3.577 -10.190 0.963 1.00 0.00 C ATOM 0 H ILE A 58 -7.303 -10.591 0.691 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.019 -9.798 3.368 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.780 -8.580 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.749 -10.831 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.518 -11.068 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.948 -7.936 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.492 -7.192 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.862 -8.593 3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.082 -11.156 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.733 -9.761 -0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.952 -9.520 1.554 1.00 0.00 H new ATOM 936 N ARG A 59 -7.762 -7.375 3.604 1.00 0.00 N ATOM 937 CA ARG A 59 -8.452 -6.109 3.817 1.00 0.00 C ATOM 938 C ARG A 59 -7.587 -5.147 4.626 1.00 0.00 C ATOM 939 O ARG A 59 -7.117 -5.484 5.714 1.00 0.00 O ATOM 940 CB ARG A 59 -9.782 -6.343 4.536 1.00 0.00 C ATOM 941 CG ARG A 59 -10.824 -5.273 4.255 1.00 0.00 C ATOM 942 CD ARG A 59 -11.733 -5.670 3.103 1.00 0.00 C ATOM 943 NE ARG A 59 -11.282 -5.111 1.831 1.00 0.00 N ATOM 944 CZ ARG A 59 -11.676 -5.567 0.647 1.00 0.00 C ATOM 945 NH1 ARG A 59 -12.525 -6.582 0.573 1.00 0.00 N ATOM 946 NH2 ARG A 59 -11.221 -5.006 -0.466 1.00 0.00 N ATOM 0 H ARG A 59 -7.196 -7.685 4.394 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.647 -5.662 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.180 -7.313 4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.601 -6.389 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.422 -5.102 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.327 -4.332 4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.770 -6.757 3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -12.748 -5.330 3.309 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.629 -4.328 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.878 -7.015 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.826 -6.930 -0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.568 -4.224 -0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.524 -5.357 -1.375 1.00 0.00 H new ATOM 960 N PHE A 60 -7.380 -3.950 4.088 1.00 0.00 N ATOM 961 CA PHE A 60 -6.569 -2.940 4.759 1.00 0.00 C ATOM 962 C PHE A 60 -7.260 -2.443 6.025 1.00 0.00 C ATOM 963 O PHE A 60 -8.456 -2.151 6.020 1.00 0.00 O ATOM 964 CB PHE A 60 -6.298 -1.765 3.817 1.00 0.00 C ATOM 965 CG PHE A 60 -5.087 -1.959 2.951 1.00 0.00 C ATOM 966 CD1 PHE A 60 -5.166 -2.700 1.783 1.00 0.00 C ATOM 967 CD2 PHE A 60 -3.869 -1.399 3.304 1.00 0.00 C ATOM 968 CE1 PHE A 60 -4.052 -2.881 0.984 1.00 0.00 C ATOM 969 CE2 PHE A 60 -2.753 -1.576 2.509 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.844 -2.317 1.347 1.00 0.00 C ATOM 0 H PHE A 60 -7.762 -3.655 3.189 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.620 -3.398 5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.169 -1.611 3.180 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -6.171 -0.858 4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -6.108 -3.141 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.792 -0.818 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.126 -3.463 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.810 -1.135 2.796 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.973 -2.455 0.724 1.00 0.00 H new ATOM 980 N ARG A 61 -6.497 -2.349 7.110 1.00 0.00 N ATOM 981 CA ARG A 61 -7.035 -1.888 8.384 1.00 0.00 C ATOM 982 C ARG A 61 -6.034 -0.988 9.103 1.00 0.00 C ATOM 983 O ARG A 61 -4.849 -1.309 9.195 1.00 0.00 O ATOM 984 CB ARG A 61 -7.393 -3.082 9.272 1.00 0.00 C ATOM 985 CG ARG A 61 -8.519 -3.938 8.716 1.00 0.00 C ATOM 986 CD ARG A 61 -9.358 -4.546 9.829 1.00 0.00 C ATOM 987 NE ARG A 61 -8.532 -5.145 10.873 1.00 0.00 N ATOM 988 CZ ARG A 61 -8.968 -5.395 12.103 1.00 0.00 C ATOM 989 NH1 ARG A 61 -10.216 -5.100 12.439 1.00 0.00 N ATOM 990 NH2 ARG A 61 -8.156 -5.942 12.998 1.00 0.00 N ATOM 0 H ARG A 61 -5.505 -2.586 7.132 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.937 -1.310 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.507 -3.703 9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.678 -2.718 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.154 -3.331 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.102 -4.733 8.098 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.993 -3.775 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.020 -5.304 9.411 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.567 -5.385 10.646 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.843 -4.680 11.753 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.549 -5.293 13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.196 -6.171 12.742 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.492 -6.133 13.942 1.00 0.00 H new ATOM 1004 N PHE A 62 -6.519 0.140 9.611 1.00 0.00 N ATOM 1005 CA PHE A 62 -5.667 1.087 10.321 1.00 0.00 C ATOM 1006 C PHE A 62 -5.948 1.055 11.820 1.00 0.00 C ATOM 1007 O PHE A 62 -7.037 0.672 12.250 1.00 0.00 O ATOM 1008 CB PHE A 62 -5.882 2.503 9.781 1.00 0.00 C ATOM 1009 CG PHE A 62 -5.014 3.535 10.441 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -3.633 3.446 10.368 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -5.578 4.593 11.135 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -2.830 4.394 10.974 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -4.780 5.545 11.742 1.00 0.00 C ATOM 1014 CZ PHE A 62 -3.405 5.444 11.663 1.00 0.00 C ATOM 0 H PHE A 62 -7.497 0.421 9.544 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.629 0.796 10.158 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.687 2.508 8.709 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.928 2.780 9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.179 2.626 9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.653 4.675 11.203 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.755 4.314 10.909 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.232 6.367 12.278 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.780 6.185 12.139 1.00 0.00 H new ATOM 1024 N ASP A 63 -4.959 1.458 12.610 1.00 0.00 N ATOM 1025 CA ASP A 63 -5.099 1.475 14.062 1.00 0.00 C ATOM 1026 C ASP A 63 -5.954 2.656 14.511 1.00 0.00 C ATOM 1027 O ASP A 63 -5.519 3.479 15.316 1.00 0.00 O ATOM 1028 CB ASP A 63 -3.724 1.543 14.727 1.00 0.00 C ATOM 1029 CG ASP A 63 -2.835 2.606 14.113 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -3.254 3.782 14.079 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -1.720 2.262 13.665 1.00 0.00 O ATOM 0 H ASP A 63 -4.052 1.777 12.270 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.596 0.553 14.366 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.848 1.747 15.790 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.235 0.572 14.644 1.00 0.00 H new ATOM 1036 N GLY A 64 -7.172 2.734 13.983 1.00 0.00 N ATOM 1037 CA GLY A 64 -8.067 3.818 14.341 1.00 0.00 C ATOM 1038 C GLY A 64 -9.447 3.654 13.736 1.00 0.00 C ATOM 1039 O GLY A 64 -10.445 4.060 14.331 1.00 0.00 O ATOM 0 H GLY A 64 -7.554 2.066 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.153 3.870 15.426 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.638 4.764 14.009 1.00 0.00 H new ATOM 1043 N GLN A 65 -9.504 3.059 12.549 1.00 0.00 N ATOM 1044 CA GLN A 65 -10.773 2.845 11.862 1.00 0.00 C ATOM 1045 C GLN A 65 -10.566 2.064 10.569 1.00 0.00 C ATOM 1046 O GLN A 65 -9.471 2.022 10.008 1.00 0.00 O ATOM 1047 CB GLN A 65 -11.446 4.185 11.561 1.00 0.00 C ATOM 1048 CG GLN A 65 -10.473 5.273 11.137 1.00 0.00 C ATOM 1049 CD GLN A 65 -11.122 6.328 10.263 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -12.094 6.970 10.662 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -10.586 6.513 9.062 1.00 0.00 N ATOM 0 H GLN A 65 -8.687 2.717 12.043 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.419 2.262 12.518 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.184 4.042 10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.987 4.518 12.447 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.056 5.748 12.025 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.641 4.821 10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.780 5.959 8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.980 7.210 8.430 1.00 0.00 H new ATOM 1060 N PRO A 66 -11.643 1.429 10.082 1.00 0.00 N ATOM 1061 CA PRO A 66 -11.605 0.638 8.848 1.00 0.00 C ATOM 1062 C PRO A 66 -11.434 1.507 7.607 1.00 0.00 C ATOM 1063 O PRO A 66 -11.421 2.735 7.695 1.00 0.00 O ATOM 1064 CB PRO A 66 -12.968 -0.058 8.831 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.855 0.827 9.637 1.00 0.00 C ATOM 1066 CD PRO A 66 -12.980 1.436 10.698 1.00 0.00 C ATOM 0 HA PRO A 66 -10.760 -0.050 8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.342 -0.172 7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.908 -1.057 9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.307 1.599 9.014 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -14.671 0.259 10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.300 2.446 10.952 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.001 0.854 11.619 1.00 0.00 H new ATOM 1074 N ILE A 67 -11.305 0.862 6.452 1.00 0.00 N ATOM 1075 CA ILE A 67 -11.137 1.577 5.193 1.00 0.00 C ATOM 1076 C ILE A 67 -12.055 1.013 4.114 1.00 0.00 C ATOM 1077 O ILE A 67 -12.386 -0.172 4.124 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.680 1.511 4.698 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.717 1.866 5.833 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -9.481 2.445 3.514 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -7.259 1.756 5.444 1.00 0.00 C ATOM 0 H ILE A 67 -11.314 -0.154 6.362 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.400 2.617 5.383 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.467 0.493 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.920 2.884 6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.909 1.209 6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.447 2.388 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -10.146 2.150 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.708 3.468 3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.634 2.022 6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.040 0.733 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.051 2.434 4.616 1.00 0.00 H new ATOM 1093 N ASN A 68 -12.462 1.870 3.184 1.00 0.00 N ATOM 1094 CA ASN A 68 -13.341 1.457 2.096 1.00 0.00 C ATOM 1095 C ASN A 68 -12.531 0.989 0.890 1.00 0.00 C ATOM 1096 O ASN A 68 -11.307 0.888 0.955 1.00 0.00 O ATOM 1097 CB ASN A 68 -14.261 2.611 1.690 1.00 0.00 C ATOM 1098 CG ASN A 68 -15.709 2.178 1.563 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -16.343 2.388 0.529 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -16.239 1.571 2.619 1.00 0.00 N ATOM 0 H ASN A 68 -12.197 2.855 3.162 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.948 0.624 2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.187 3.409 2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.923 3.024 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.209 1.258 2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.676 1.418 3.455 1.00 0.00 H new ATOM 1107 N GLU A 69 -13.225 0.706 -0.208 1.00 0.00 N ATOM 1108 CA GLU A 69 -12.570 0.248 -1.428 1.00 0.00 C ATOM 1109 C GLU A 69 -12.293 1.417 -2.368 1.00 0.00 C ATOM 1110 O GLU A 69 -11.420 1.341 -3.233 1.00 0.00 O ATOM 1111 CB GLU A 69 -13.435 -0.797 -2.136 1.00 0.00 C ATOM 1112 CG GLU A 69 -14.749 -0.244 -2.661 1.00 0.00 C ATOM 1113 CD GLU A 69 -15.710 -1.335 -3.092 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -15.585 -2.470 -2.588 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -16.589 -1.052 -3.934 1.00 0.00 O ATOM 0 H GLU A 69 -14.239 0.786 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.619 -0.206 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.871 -1.221 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.644 -1.613 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.218 0.364 -1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.550 0.415 -3.506 1.00 0.00 H new ATOM 1122 N THR A 70 -13.044 2.501 -2.193 1.00 0.00 N ATOM 1123 CA THR A 70 -12.881 3.686 -3.026 1.00 0.00 C ATOM 1124 C THR A 70 -12.602 4.920 -2.176 1.00 0.00 C ATOM 1125 O THR A 70 -13.193 5.979 -2.390 1.00 0.00 O ATOM 1126 CB THR A 70 -14.132 3.942 -3.888 1.00 0.00 C ATOM 1127 OG1 THR A 70 -13.927 5.090 -4.719 1.00 0.00 O ATOM 1128 CG2 THR A 70 -15.358 4.155 -3.014 1.00 0.00 C ATOM 0 H THR A 70 -13.771 2.582 -1.482 1.00 0.00 H new ATOM 0 HA THR A 70 -12.030 3.499 -3.681 1.00 0.00 H new ATOM 0 HB THR A 70 -14.300 3.066 -4.514 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.664 5.853 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.228 4.334 -3.645 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.528 3.268 -2.404 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.197 5.016 -2.365 1.00 0.00 H new ATOM 1136 N ASP A 71 -11.698 4.778 -1.214 1.00 0.00 N ATOM 1137 CA ASP A 71 -11.338 5.884 -0.333 1.00 0.00 C ATOM 1138 C ASP A 71 -9.878 6.279 -0.525 1.00 0.00 C ATOM 1139 O ASP A 71 -8.988 5.427 -0.535 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.589 5.502 1.127 1.00 0.00 C ATOM 1141 CG ASP A 71 -13.063 5.515 1.484 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -13.897 5.447 0.558 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -13.381 5.594 2.689 1.00 0.00 O ATOM 0 H ASP A 71 -11.200 3.908 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.963 6.739 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.181 4.509 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.054 6.194 1.778 1.00 0.00 H new ATOM 1148 N THR A 72 -9.636 7.577 -0.678 1.00 0.00 N ATOM 1149 CA THR A 72 -8.284 8.085 -0.872 1.00 0.00 C ATOM 1150 C THR A 72 -7.634 8.440 0.460 1.00 0.00 C ATOM 1151 O THR A 72 -8.306 8.660 1.468 1.00 0.00 O ATOM 1152 CB THR A 72 -8.276 9.328 -1.782 1.00 0.00 C ATOM 1153 OG1 THR A 72 -9.507 10.046 -1.641 1.00 0.00 O ATOM 1154 CG2 THR A 72 -8.078 8.932 -3.237 1.00 0.00 C ATOM 0 H THR A 72 -10.359 8.296 -0.671 1.00 0.00 H new ATOM 0 HA THR A 72 -7.713 7.290 -1.351 1.00 0.00 H new ATOM 0 HB THR A 72 -7.446 9.967 -1.480 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.493 10.836 -2.221 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.076 9.826 -3.860 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.127 8.411 -3.346 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.889 8.274 -3.549 1.00 0.00 H new ATOM 1162 N PRO A 73 -6.294 8.500 0.468 1.00 0.00 N ATOM 1163 CA PRO A 73 -5.523 8.830 1.671 1.00 0.00 C ATOM 1164 C PRO A 73 -5.688 10.289 2.083 1.00 0.00 C ATOM 1165 O PRO A 73 -5.325 10.675 3.193 1.00 0.00 O ATOM 1166 CB PRO A 73 -4.077 8.553 1.253 1.00 0.00 C ATOM 1167 CG PRO A 73 -4.074 8.710 -0.229 1.00 0.00 C ATOM 1168 CD PRO A 73 -5.428 8.251 -0.696 1.00 0.00 C ATOM 0 HA PRO A 73 -5.849 8.252 2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.387 9.252 1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.766 7.550 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.895 9.747 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.282 8.115 -0.683 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.761 8.809 -1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.421 7.197 -0.973 1.00 0.00 H new ATOM 1176 N ALA A 74 -6.239 11.095 1.181 1.00 0.00 N ATOM 1177 CA ALA A 74 -6.454 12.511 1.452 1.00 0.00 C ATOM 1178 C ALA A 74 -7.500 12.708 2.545 1.00 0.00 C ATOM 1179 O ALA A 74 -7.303 13.494 3.470 1.00 0.00 O ATOM 1180 CB ALA A 74 -6.874 13.234 0.181 1.00 0.00 C ATOM 0 H ALA A 74 -6.544 10.791 0.256 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.514 12.935 1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.031 14.290 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.092 13.131 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.800 12.800 -0.196 1.00 0.00 H new ATOM 1186 N GLN A 75 -8.612 11.989 2.429 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.689 12.086 3.407 1.00 0.00 C ATOM 1188 C GLN A 75 -9.593 10.965 4.437 1.00 0.00 C ATOM 1189 O GLN A 75 -10.576 10.629 5.098 1.00 0.00 O ATOM 1190 CB GLN A 75 -11.048 12.037 2.707 1.00 0.00 C ATOM 1191 CG GLN A 75 -12.158 12.726 3.484 1.00 0.00 C ATOM 1192 CD GLN A 75 -12.041 14.237 3.454 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -12.134 14.857 2.395 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -11.835 14.838 4.620 1.00 0.00 N ATOM 0 H GLN A 75 -8.790 11.334 1.668 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.590 13.040 3.926 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.959 12.504 1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.324 10.996 2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.122 12.432 3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.138 12.384 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.764 14.284 5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.747 15.853 4.662 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.403 10.390 4.568 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.178 9.305 5.517 1.00 0.00 C ATOM 1205 C LEU A 76 -7.095 9.679 6.525 1.00 0.00 C ATOM 1206 O LEU A 76 -6.892 8.983 7.518 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.781 8.027 4.777 1.00 0.00 C ATOM 1208 CG LEU A 76 -8.928 7.090 4.394 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -8.471 6.088 3.345 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -9.463 6.371 5.624 1.00 0.00 C ATOM 0 H LEU A 76 -7.579 10.657 4.029 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.108 9.130 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.249 8.308 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.079 7.473 5.400 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.734 7.688 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.300 5.430 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.137 6.620 2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.648 5.495 3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.278 5.709 5.333 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.664 5.785 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.830 7.104 6.343 1.00 0.00 H new ATOM 1222 N GLU A 77 -6.405 10.785 6.261 1.00 0.00 N ATOM 1223 CA GLU A 77 -5.344 11.252 7.146 1.00 0.00 C ATOM 1224 C GLU A 77 -4.352 10.132 7.444 1.00 0.00 C ATOM 1225 O GLU A 77 -4.054 9.844 8.603 1.00 0.00 O ATOM 1226 CB GLU A 77 -5.937 11.784 8.453 1.00 0.00 C ATOM 1227 CG GLU A 77 -7.089 12.754 8.248 1.00 0.00 C ATOM 1228 CD GLU A 77 -7.203 13.767 9.370 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -6.734 13.471 10.489 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -7.763 14.858 9.129 1.00 0.00 O ATOM 0 H GLU A 77 -6.562 11.373 5.443 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.813 12.059 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.284 10.943 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.152 12.281 9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.954 13.278 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.021 12.195 8.172 1.00 0.00 H new ATOM 1237 N MET A 78 -3.845 9.502 6.389 1.00 0.00 N ATOM 1238 CA MET A 78 -2.885 8.414 6.537 1.00 0.00 C ATOM 1239 C MET A 78 -1.581 8.737 5.815 1.00 0.00 C ATOM 1240 O MET A 78 -1.239 8.100 4.819 1.00 0.00 O ATOM 1241 CB MET A 78 -3.473 7.110 5.994 1.00 0.00 C ATOM 1242 CG MET A 78 -4.055 7.242 4.595 1.00 0.00 C ATOM 1243 SD MET A 78 -5.060 5.820 4.125 1.00 0.00 S ATOM 1244 CE MET A 78 -4.166 5.235 2.687 1.00 0.00 C ATOM 0 H MET A 78 -4.083 9.726 5.423 1.00 0.00 H new ATOM 0 HA MET A 78 -2.671 8.294 7.599 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.695 6.346 5.985 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.253 6.763 6.672 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.663 8.145 4.542 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.243 7.362 3.878 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.732 5.472 1.786 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.191 5.721 2.642 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.030 4.156 2.757 1.00 0.00 H new ATOM 1254 N GLU A 79 -0.858 9.730 6.323 1.00 0.00 N ATOM 1255 CA GLU A 79 0.408 10.137 5.725 1.00 0.00 C ATOM 1256 C GLU A 79 1.515 10.185 6.774 1.00 0.00 C ATOM 1257 O GLU A 79 1.358 9.671 7.881 1.00 0.00 O ATOM 1258 CB GLU A 79 0.264 11.505 5.055 1.00 0.00 C ATOM 1259 CG GLU A 79 -1.106 11.742 4.442 1.00 0.00 C ATOM 1260 CD GLU A 79 -1.198 13.069 3.713 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -0.264 13.887 3.850 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -2.203 13.288 3.006 1.00 0.00 O ATOM 0 H GLU A 79 -1.127 10.267 7.147 1.00 0.00 H new ATOM 0 HA GLU A 79 0.679 9.398 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.463 12.284 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.022 11.601 4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.334 10.934 3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.862 11.710 5.227 1.00 0.00 H new ATOM 1269 N ASP A 80 2.633 10.807 6.416 1.00 0.00 N ATOM 1270 CA ASP A 80 3.767 10.924 7.326 1.00 0.00 C ATOM 1271 C ASP A 80 4.280 9.547 7.735 1.00 0.00 C ATOM 1272 O ASP A 80 4.514 9.287 8.914 1.00 0.00 O ATOM 1273 CB ASP A 80 3.372 11.724 8.568 1.00 0.00 C ATOM 1274 CG ASP A 80 4.509 12.576 9.094 1.00 0.00 C ATOM 1275 OD1 ASP A 80 4.934 13.506 8.377 1.00 0.00 O ATOM 1276 OD2 ASP A 80 4.976 12.313 10.222 1.00 0.00 O ATOM 0 H ASP A 80 2.778 11.238 5.503 1.00 0.00 H new ATOM 0 HA ASP A 80 4.567 11.450 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.523 12.364 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.044 11.038 9.349 1.00 0.00 H new ATOM 1281 N GLU A 81 4.451 8.668 6.751 1.00 0.00 N ATOM 1282 CA GLU A 81 4.934 7.317 7.011 1.00 0.00 C ATOM 1283 C GLU A 81 3.920 6.525 7.831 1.00 0.00 C ATOM 1284 O GLU A 81 4.279 5.847 8.794 1.00 0.00 O ATOM 1285 CB GLU A 81 6.276 7.363 7.745 1.00 0.00 C ATOM 1286 CG GLU A 81 7.253 8.372 7.164 1.00 0.00 C ATOM 1287 CD GLU A 81 8.614 8.316 7.830 1.00 0.00 C ATOM 1288 OE1 GLU A 81 8.681 7.903 9.007 1.00 0.00 O ATOM 1289 OE2 GLU A 81 9.611 8.685 7.176 1.00 0.00 O ATOM 0 H GLU A 81 4.262 8.867 5.769 1.00 0.00 H new ATOM 0 HA GLU A 81 5.070 6.817 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.099 7.603 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.730 6.372 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.367 8.188 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.841 9.375 7.272 1.00 0.00 H new ATOM 1296 N ASP A 82 2.654 6.616 7.442 1.00 0.00 N ATOM 1297 CA ASP A 82 1.587 5.907 8.140 1.00 0.00 C ATOM 1298 C ASP A 82 1.537 4.443 7.714 1.00 0.00 C ATOM 1299 O ASP A 82 1.346 4.134 6.537 1.00 0.00 O ATOM 1300 CB ASP A 82 0.239 6.576 7.868 1.00 0.00 C ATOM 1301 CG ASP A 82 -0.875 6.004 8.723 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -1.044 4.766 8.727 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -1.576 6.793 9.390 1.00 0.00 O ATOM 0 H ASP A 82 2.341 7.173 6.647 1.00 0.00 H new ATOM 0 HA ASP A 82 1.796 5.948 9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.324 7.646 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.017 6.456 6.815 1.00 0.00 H new ATOM 1308 N THR A 83 1.711 3.545 8.678 1.00 0.00 N ATOM 1309 CA THR A 83 1.689 2.114 8.403 1.00 0.00 C ATOM 1310 C THR A 83 0.292 1.537 8.605 1.00 0.00 C ATOM 1311 O THR A 83 -0.208 1.478 9.729 1.00 0.00 O ATOM 1312 CB THR A 83 2.681 1.353 9.302 1.00 0.00 C ATOM 1313 OG1 THR A 83 3.980 1.948 9.211 1.00 0.00 O ATOM 1314 CG2 THR A 83 2.759 -0.112 8.903 1.00 0.00 C ATOM 0 H THR A 83 1.869 3.784 9.657 1.00 0.00 H new ATOM 0 HA THR A 83 1.985 1.988 7.361 1.00 0.00 H new ATOM 0 HB THR A 83 2.325 1.414 10.331 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.605 1.459 9.787 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.466 -0.629 9.552 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.774 -0.569 9.002 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.093 -0.190 7.868 1.00 0.00 H new ATOM 1322 N ILE A 84 -0.332 1.113 7.512 1.00 0.00 N ATOM 1323 CA ILE A 84 -1.670 0.539 7.570 1.00 0.00 C ATOM 1324 C ILE A 84 -1.613 -0.969 7.789 1.00 0.00 C ATOM 1325 O ILE A 84 -1.140 -1.714 6.930 1.00 0.00 O ATOM 1326 CB ILE A 84 -2.464 0.830 6.283 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -2.332 2.305 5.898 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.927 0.454 6.467 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -2.891 3.253 6.935 1.00 0.00 C ATOM 0 H ILE A 84 0.068 1.156 6.575 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.177 1.007 8.414 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.052 0.225 5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.279 2.537 5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.845 2.472 4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.475 0.665 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.003 -0.608 6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.352 1.035 7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.763 4.281 6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.952 3.048 7.081 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.362 3.114 7.878 1.00 0.00 H new ATOM 1341 N ASP A 85 -2.098 -1.413 8.943 1.00 0.00 N ATOM 1342 CA ASP A 85 -2.105 -2.833 9.275 1.00 0.00 C ATOM 1343 C ASP A 85 -2.854 -3.635 8.214 1.00 0.00 C ATOM 1344 O ASP A 85 -3.926 -3.235 7.762 1.00 0.00 O ATOM 1345 CB ASP A 85 -2.744 -3.055 10.646 1.00 0.00 C ATOM 1346 CG ASP A 85 -2.237 -2.077 11.687 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -1.208 -2.374 12.328 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -2.870 -1.014 11.861 1.00 0.00 O ATOM 0 H ASP A 85 -2.492 -0.810 9.665 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.072 -3.179 9.305 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.826 -2.959 10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.540 -4.073 10.978 1.00 0.00 H new ATOM 1353 N VAL A 86 -2.280 -4.768 7.822 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.892 -5.626 6.815 1.00 0.00 C ATOM 1355 C VAL A 86 -2.611 -7.096 7.101 1.00 0.00 C ATOM 1356 O VAL A 86 -1.507 -7.461 7.505 1.00 0.00 O ATOM 1357 CB VAL A 86 -2.385 -5.283 5.401 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -2.926 -6.276 4.384 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.771 -3.860 5.027 1.00 0.00 C ATOM 0 H VAL A 86 -1.392 -5.113 8.187 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.967 -5.449 6.860 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.297 -5.353 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.557 -6.018 3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.594 -7.281 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.015 -6.242 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.405 -3.635 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.856 -3.760 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.329 -3.164 5.740 1.00 0.00 H new ATOM 1369 N PHE A 87 -3.617 -7.938 6.888 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.479 -9.370 7.124 1.00 0.00 C ATOM 1371 C PHE A 87 -3.538 -10.146 5.811 1.00 0.00 C ATOM 1372 O PHE A 87 -4.607 -10.312 5.225 1.00 0.00 O ATOM 1373 CB PHE A 87 -4.577 -9.862 8.070 1.00 0.00 C ATOM 1374 CG PHE A 87 -4.199 -11.095 8.838 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -3.022 -11.140 9.568 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -5.021 -12.211 8.831 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -2.671 -12.274 10.275 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -4.675 -13.348 9.537 1.00 0.00 C ATOM 1379 CZ PHE A 87 -3.500 -13.379 10.260 1.00 0.00 C ATOM 0 H PHE A 87 -4.537 -7.653 6.552 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.507 -9.544 7.586 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.822 -9.067 8.774 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.479 -10.066 7.492 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.371 -10.278 9.585 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.942 -12.192 8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.750 -12.297 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.324 -14.211 9.523 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.229 -14.266 10.813 1.00 0.00 H new