USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, 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 54 SER OG : rot 167:sc= 0.178 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.36 K(o=-1.2,f=-1.8) USER MOD Set 2.1: A 31 GLN : amide:sc= -3.46! C(o=-2.6!,f=-15!) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 171:sc= 0.871 (180deg=-0.157) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.839 K(o=-1.3,f=-2.7) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.433 K(o=-1.3,f=-2.7) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -3.63! C(o=-3.6!,f=-9.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 90:sc= 1.24 USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.0321 (180deg=-0.295) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -129:sc= -0.354 (180deg=-3.21!) USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= 0.549 (180deg=-0.211) USER MOD Single : A 47 TYR OH : rot 8:sc= 1.29 USER MOD Single : A 48 CYS SG : rot 147:sc= -5.98! USER MOD Single : A 51 GLN : amide:sc= -3.06 K(o=-3.1,f=-6!) USER MOD Single : A 55 MET CE :methyl 150:sc= -3.26! (180deg=-5.21!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 68 ASN : amide:sc= -4.88! C(o=-4.9!,f=-2.5!) USER MOD Single : A 70 THR OG1 : rot -42:sc= 0.53 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl -174:sc= -1.03 (180deg=-1.14) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -2.963 12.927 7.888 1.00 0.00 N ATOM 243 CA HIS A 17 -2.824 11.514 7.611 1.00 0.00 C ATOM 244 C HIS A 17 -4.151 10.959 7.133 1.00 0.00 C ATOM 245 O HIS A 17 -5.213 11.413 7.559 1.00 0.00 O ATOM 246 CB HIS A 17 -2.337 10.744 8.870 1.00 0.00 C ATOM 247 CG HIS A 17 -3.413 10.446 9.892 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.802 11.342 10.870 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.183 9.336 10.075 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.757 10.802 11.603 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.007 9.590 11.142 1.00 0.00 N ATOM 0 HA HIS A 17 -2.075 11.383 6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.889 9.803 8.551 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.550 11.325 9.351 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.150 8.428 9.491 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.252 11.272 12.440 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.702 8.946 11.519 1.00 0.00 H new ATOM 260 N ILE A 18 -4.111 9.997 6.250 1.00 0.00 N ATOM 261 CA ILE A 18 -5.319 9.376 5.761 1.00 0.00 C ATOM 262 C ILE A 18 -5.194 7.871 5.825 1.00 0.00 C ATOM 263 O ILE A 18 -4.102 7.330 6.025 1.00 0.00 O ATOM 264 CB ILE A 18 -5.658 9.802 4.316 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.447 9.618 3.403 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.152 11.242 4.279 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.753 9.839 1.941 1.00 0.00 C ATOM 0 H ILE A 18 -3.250 9.623 5.851 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.132 9.712 6.405 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.460 9.161 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.663 10.310 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.053 8.610 3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.385 11.521 3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.048 11.335 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.377 11.903 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.847 9.692 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.515 9.130 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.118 10.856 1.795 1.00 0.00 H new ATOM 279 N ASN A 19 -6.300 7.189 5.664 1.00 0.00 N ATOM 280 CA ASN A 19 -6.306 5.747 5.724 1.00 0.00 C ATOM 281 C ASN A 19 -6.523 5.176 4.345 1.00 0.00 C ATOM 282 O ASN A 19 -7.517 5.471 3.692 1.00 0.00 O ATOM 283 CB ASN A 19 -7.393 5.241 6.683 1.00 0.00 C ATOM 284 CG ASN A 19 -7.968 6.334 7.569 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.376 6.720 8.574 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.133 6.813 7.219 1.00 0.00 N ATOM 0 H ASN A 19 -7.212 7.610 5.490 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.339 5.415 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.199 4.791 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.976 4.455 7.312 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.581 7.532 7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.594 6.468 6.377 1.00 0.00 H new ATOM 293 N LEU A 20 -5.585 4.380 3.888 1.00 0.00 N ATOM 294 CA LEU A 20 -5.677 3.764 2.582 1.00 0.00 C ATOM 295 C LEU A 20 -5.801 2.271 2.734 1.00 0.00 C ATOM 296 O LEU A 20 -5.042 1.645 3.475 1.00 0.00 O ATOM 297 CB LEU A 20 -4.451 4.087 1.708 1.00 0.00 C ATOM 298 CG LEU A 20 -4.243 5.557 1.324 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.555 6.205 0.912 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.579 6.327 2.449 1.00 0.00 C ATOM 0 H LEU A 20 -4.740 4.141 4.407 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.560 4.168 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.560 3.744 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.525 3.503 0.790 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.574 5.586 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.378 7.247 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.969 5.676 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.260 6.158 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.444 7.366 2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.207 6.285 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.608 5.884 2.669 1.00 0.00 H new ATOM 312 N LYS A 21 -6.748 1.692 2.058 1.00 0.00 N ATOM 313 CA LYS A 21 -6.943 0.273 2.126 1.00 0.00 C ATOM 314 C LYS A 21 -6.506 -0.383 0.840 1.00 0.00 C ATOM 315 O LYS A 21 -6.733 0.134 -0.237 1.00 0.00 O ATOM 316 CB LYS A 21 -8.393 -0.047 2.443 1.00 0.00 C ATOM 317 CG LYS A 21 -8.731 -1.523 2.391 1.00 0.00 C ATOM 318 CD LYS A 21 -9.951 -1.826 3.222 1.00 0.00 C ATOM 319 CE LYS A 21 -11.139 -0.972 2.798 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.337 -1.223 3.636 1.00 0.00 N ATOM 0 H LYS A 21 -7.402 2.184 1.449 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.327 -0.127 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.628 0.333 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.033 0.485 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.906 -1.824 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.885 -2.107 2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.206 -2.881 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.730 -1.647 4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.868 0.082 2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.378 -1.177 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.120 -0.620 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.613 -2.222 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.119 -1.002 4.629 1.00 0.00 H new ATOM 334 N VAL A 22 -5.883 -1.525 0.953 1.00 0.00 N ATOM 335 CA VAL A 22 -5.382 -2.227 -0.201 1.00 0.00 C ATOM 336 C VAL A 22 -6.131 -3.530 -0.383 1.00 0.00 C ATOM 337 O VAL A 22 -6.223 -4.334 0.535 1.00 0.00 O ATOM 338 CB VAL A 22 -3.871 -2.519 -0.078 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.346 -3.142 -1.356 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.103 -1.249 0.254 1.00 0.00 C ATOM 0 H VAL A 22 -5.708 -1.994 1.842 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.537 -1.585 -1.068 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.724 -3.228 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.279 -3.341 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.873 -4.077 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.508 -2.457 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.040 -1.477 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.256 -0.514 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.461 -0.844 1.200 1.00 0.00 H new ATOM 350 N ALA A 23 -6.650 -3.739 -1.570 1.00 0.00 N ATOM 351 CA ALA A 23 -7.426 -4.919 -1.876 1.00 0.00 C ATOM 352 C ALA A 23 -6.952 -5.538 -3.170 1.00 0.00 C ATOM 353 O ALA A 23 -6.856 -4.868 -4.199 1.00 0.00 O ATOM 354 CB ALA A 23 -8.903 -4.575 -1.962 1.00 0.00 C ATOM 0 H ALA A 23 -6.546 -3.094 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.287 -5.643 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.473 -5.475 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.238 -4.168 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.059 -3.835 -2.747 1.00 0.00 H new ATOM 360 N GLY A 24 -6.650 -6.804 -3.131 1.00 0.00 N ATOM 361 CA GLY A 24 -6.169 -7.471 -4.315 1.00 0.00 C ATOM 362 C GLY A 24 -7.176 -8.436 -4.872 1.00 0.00 C ATOM 363 O GLY A 24 -8.009 -8.959 -4.138 1.00 0.00 O ATOM 0 H GLY A 24 -6.726 -7.394 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.922 -6.728 -5.073 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.248 -8.005 -4.080 1.00 0.00 H new ATOM 367 N GLN A 25 -7.106 -8.692 -6.177 1.00 0.00 N ATOM 368 CA GLN A 25 -8.012 -9.645 -6.831 1.00 0.00 C ATOM 369 C GLN A 25 -7.844 -11.058 -6.249 1.00 0.00 C ATOM 370 O GLN A 25 -8.701 -11.923 -6.411 1.00 0.00 O ATOM 371 CB GLN A 25 -7.815 -9.642 -8.366 1.00 0.00 C ATOM 372 CG GLN A 25 -6.362 -9.539 -8.796 1.00 0.00 C ATOM 373 CD GLN A 25 -5.530 -10.692 -8.305 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.932 -11.851 -8.385 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.422 -10.377 -7.697 1.00 0.00 N ATOM 0 H GLN A 25 -6.432 -8.255 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.034 -9.324 -6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.243 -10.555 -8.780 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.371 -8.807 -8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.311 -9.497 -9.884 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.941 -8.606 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.124 -9.403 -7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.853 -11.105 -7.265 1.00 0.00 H new ATOM 384 N ASP A 26 -6.722 -11.271 -5.569 1.00 0.00 N ATOM 385 CA ASP A 26 -6.415 -12.536 -4.906 1.00 0.00 C ATOM 386 C ASP A 26 -7.328 -12.721 -3.703 1.00 0.00 C ATOM 387 O ASP A 26 -7.488 -13.816 -3.170 1.00 0.00 O ATOM 388 CB ASP A 26 -4.944 -12.529 -4.464 1.00 0.00 C ATOM 389 CG ASP A 26 -4.575 -13.703 -3.579 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.212 -14.767 -4.116 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.637 -13.552 -2.333 1.00 0.00 O ATOM 0 H ASP A 26 -5.993 -10.565 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.578 -13.364 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.307 -12.536 -5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.737 -11.602 -3.930 1.00 0.00 H new ATOM 396 N GLY A 27 -7.961 -11.638 -3.308 1.00 0.00 N ATOM 397 CA GLY A 27 -8.833 -11.662 -2.155 1.00 0.00 C ATOM 398 C GLY A 27 -8.177 -11.051 -0.945 1.00 0.00 C ATOM 399 O GLY A 27 -8.838 -10.713 0.036 1.00 0.00 O ATOM 0 H GLY A 27 -7.888 -10.731 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.751 -11.121 -2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.116 -12.691 -1.934 1.00 0.00 H new ATOM 403 N SER A 28 -6.866 -10.908 -1.014 1.00 0.00 N ATOM 404 CA SER A 28 -6.092 -10.325 0.057 1.00 0.00 C ATOM 405 C SER A 28 -6.371 -8.825 0.171 1.00 0.00 C ATOM 406 O SER A 28 -6.142 -8.061 -0.772 1.00 0.00 O ATOM 407 CB SER A 28 -4.603 -10.575 -0.193 1.00 0.00 C ATOM 408 OG SER A 28 -4.311 -11.970 -0.190 1.00 0.00 O ATOM 0 H SER A 28 -6.310 -11.195 -1.819 1.00 0.00 H new ATOM 0 HA SER A 28 -6.381 -10.793 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.314 -10.141 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.013 -10.075 0.575 1.00 0.00 H new ATOM 0 HG SER A 28 -4.397 -12.324 -1.100 1.00 0.00 H new ATOM 414 N VAL A 29 -6.888 -8.403 1.309 1.00 0.00 N ATOM 415 CA VAL A 29 -7.192 -7.003 1.528 1.00 0.00 C ATOM 416 C VAL A 29 -6.896 -6.581 2.978 1.00 0.00 C ATOM 417 O VAL A 29 -7.230 -7.289 3.928 1.00 0.00 O ATOM 418 CB VAL A 29 -8.666 -6.675 1.134 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.635 -7.659 1.750 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.038 -5.250 1.507 1.00 0.00 C ATOM 0 H VAL A 29 -7.107 -9.012 2.098 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.538 -6.422 0.878 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.736 -6.767 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.652 -7.401 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.401 -8.666 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.551 -7.621 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.071 -5.056 1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.931 -5.116 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.379 -4.554 0.987 1.00 0.00 H new ATOM 430 N VAL A 30 -6.268 -5.408 3.132 1.00 0.00 N ATOM 431 CA VAL A 30 -5.849 -4.881 4.445 1.00 0.00 C ATOM 432 C VAL A 30 -5.948 -3.347 4.438 1.00 0.00 C ATOM 433 O VAL A 30 -5.823 -2.723 3.390 1.00 0.00 O ATOM 434 CB VAL A 30 -4.376 -5.283 4.800 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.021 -4.861 6.218 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.150 -6.774 4.629 1.00 0.00 C ATOM 0 H VAL A 30 -6.034 -4.794 2.351 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.513 -5.312 5.195 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.722 -4.757 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.994 -5.152 6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.120 -3.779 6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.695 -5.349 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.118 -7.017 4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.825 -7.322 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.344 -7.055 3.594 1.00 0.00 H new ATOM 446 N GLN A 31 -6.172 -2.745 5.596 1.00 0.00 N ATOM 447 CA GLN A 31 -6.285 -1.293 5.700 1.00 0.00 C ATOM 448 C GLN A 31 -5.082 -0.714 6.449 1.00 0.00 C ATOM 449 O GLN A 31 -4.595 -1.310 7.417 1.00 0.00 O ATOM 450 CB GLN A 31 -7.603 -0.910 6.388 1.00 0.00 C ATOM 451 CG GLN A 31 -7.831 0.594 6.544 1.00 0.00 C ATOM 452 CD GLN A 31 -7.173 1.195 7.793 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.781 2.355 7.803 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.072 0.420 8.861 1.00 0.00 N ATOM 0 H GLN A 31 -6.280 -3.239 6.482 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.291 -0.868 4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.430 -1.331 5.817 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.629 -1.372 7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.446 1.104 5.661 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.903 0.787 6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.407 -0.543 8.826 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.660 0.786 9.719 1.00 0.00 H new ATOM 463 N PHE A 32 -4.604 0.447 6.005 1.00 0.00 N ATOM 464 CA PHE A 32 -3.426 1.095 6.601 1.00 0.00 C ATOM 465 C PHE A 32 -3.669 2.592 6.795 1.00 0.00 C ATOM 466 O PHE A 32 -4.490 3.194 6.110 1.00 0.00 O ATOM 467 CB PHE A 32 -2.194 0.909 5.691 1.00 0.00 C ATOM 468 CG PHE A 32 -1.968 -0.505 5.247 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.675 -1.019 4.176 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.055 -1.320 5.900 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.485 -2.310 3.764 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.859 -2.619 5.486 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.575 -3.116 4.418 1.00 0.00 C ATOM 0 H PHE A 32 -5.015 0.965 5.229 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.246 0.629 7.570 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.308 1.541 4.810 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.308 1.258 6.222 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.387 -0.393 3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.494 -0.934 6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.047 -2.698 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.145 -3.248 5.998 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.424 -4.135 4.093 1.00 0.00 H new ATOM 483 N LYS A 33 -2.942 3.195 7.719 1.00 0.00 N ATOM 484 CA LYS A 33 -3.044 4.625 7.978 1.00 0.00 C ATOM 485 C LYS A 33 -1.675 5.282 7.878 1.00 0.00 C ATOM 486 O LYS A 33 -0.801 5.064 8.718 1.00 0.00 O ATOM 487 CB LYS A 33 -3.665 4.896 9.357 1.00 0.00 C ATOM 488 CG LYS A 33 -5.163 4.774 9.382 1.00 0.00 C ATOM 489 CD LYS A 33 -5.707 4.892 10.788 1.00 0.00 C ATOM 490 CE LYS A 33 -7.199 4.638 10.823 1.00 0.00 C ATOM 491 NZ LYS A 33 -7.554 3.290 10.317 1.00 0.00 N ATOM 0 H LYS A 33 -2.266 2.712 8.310 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.698 5.057 7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.241 4.199 10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.386 5.899 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.602 5.550 8.755 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.458 3.815 8.956 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.199 4.179 11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.496 5.887 11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.559 4.746 11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.708 5.394 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.561 3.104 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.375 3.245 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.976 2.574 10.801 1.00 0.00 H new ATOM 505 N ILE A 34 -1.480 6.084 6.847 1.00 0.00 N ATOM 506 CA ILE A 34 -0.206 6.758 6.637 1.00 0.00 C ATOM 507 C ILE A 34 -0.407 8.255 6.511 1.00 0.00 C ATOM 508 O ILE A 34 -1.537 8.748 6.465 1.00 0.00 O ATOM 509 CB ILE A 34 0.538 6.241 5.375 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.318 6.438 4.120 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.931 4.776 5.542 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.409 6.111 2.829 1.00 0.00 C ATOM 0 H ILE A 34 -2.187 6.286 6.140 1.00 0.00 H new ATOM 0 HA ILE A 34 0.408 6.535 7.510 1.00 0.00 H new ATOM 0 HB ILE A 34 1.451 6.824 5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.207 5.811 4.195 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.660 7.472 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.451 4.434 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.588 4.672 6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.035 4.174 5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.260 6.274 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.283 6.755 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.727 5.068 2.844 1.00 0.00 H new ATOM 524 N LYS A 35 0.680 8.982 6.458 1.00 0.00 N ATOM 525 CA LYS A 35 0.625 10.415 6.334 1.00 0.00 C ATOM 526 C LYS A 35 0.456 10.786 4.860 1.00 0.00 C ATOM 527 O LYS A 35 0.940 10.085 3.980 1.00 0.00 O ATOM 528 CB LYS A 35 1.905 11.018 6.918 1.00 0.00 C ATOM 529 CG LYS A 35 1.724 12.364 7.599 1.00 0.00 C ATOM 530 CD LYS A 35 1.714 13.515 6.615 1.00 0.00 C ATOM 531 CE LYS A 35 1.706 14.850 7.339 1.00 0.00 C ATOM 532 NZ LYS A 35 2.972 15.087 8.084 1.00 0.00 N ATOM 0 H LYS A 35 1.624 8.598 6.499 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.225 10.815 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.324 10.316 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.636 11.128 6.117 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.789 12.361 8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.528 12.514 8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.589 13.453 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.837 13.441 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.554 15.653 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.866 14.881 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.061 16.100 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.962 14.540 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.779 14.787 7.501 1.00 0.00 H new ATOM 546 N ARG A 36 -0.228 11.889 4.590 1.00 0.00 N ATOM 547 CA ARG A 36 -0.498 12.327 3.219 1.00 0.00 C ATOM 548 C ARG A 36 0.790 12.696 2.453 1.00 0.00 C ATOM 549 O ARG A 36 0.790 12.802 1.227 1.00 0.00 O ATOM 550 CB ARG A 36 -1.507 13.488 3.226 1.00 0.00 C ATOM 551 CG ARG A 36 -1.760 14.117 1.865 1.00 0.00 C ATOM 552 CD ARG A 36 -3.033 14.933 1.861 1.00 0.00 C ATOM 553 NE ARG A 36 -4.221 14.091 1.685 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.437 14.390 2.152 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.589 15.365 3.040 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.493 13.666 1.774 1.00 0.00 N ATOM 0 H ARG A 36 -0.611 12.505 5.307 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.937 11.487 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.454 13.126 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.148 14.260 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.917 14.754 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.825 13.335 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.114 15.484 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.989 15.671 1.060 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.112 13.217 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.777 15.888 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.518 15.591 3.395 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.372 12.885 1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.421 13.894 2.130 1.00 0.00 H new ATOM 570 N HIS A 37 1.894 12.864 3.164 1.00 0.00 N ATOM 571 CA HIS A 37 3.170 13.170 2.521 1.00 0.00 C ATOM 572 C HIS A 37 4.079 11.958 2.579 1.00 0.00 C ATOM 573 O HIS A 37 5.198 11.970 2.075 1.00 0.00 O ATOM 574 CB HIS A 37 3.850 14.380 3.171 1.00 0.00 C ATOM 575 CG HIS A 37 3.340 15.697 2.672 1.00 0.00 C ATOM 576 ND1 HIS A 37 4.090 16.548 1.885 1.00 0.00 N ATOM 577 CD2 HIS A 37 2.145 16.306 2.841 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.378 17.620 1.596 1.00 0.00 C ATOM 579 NE2 HIS A 37 2.196 17.498 2.162 1.00 0.00 N ATOM 0 H HIS A 37 1.937 12.795 4.181 1.00 0.00 H new ATOM 0 HA HIS A 37 2.974 13.423 1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.706 14.330 4.250 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.923 14.324 2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.306 15.926 3.405 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.709 18.456 0.997 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.439 18.180 2.105 1.00 0.00 H new ATOM 588 N THR A 38 3.583 10.908 3.201 1.00 0.00 N ATOM 589 CA THR A 38 4.296 9.666 3.312 1.00 0.00 C ATOM 590 C THR A 38 4.023 8.804 2.080 1.00 0.00 C ATOM 591 O THR A 38 2.881 8.671 1.659 1.00 0.00 O ATOM 592 CB THR A 38 3.868 8.916 4.596 1.00 0.00 C ATOM 593 OG1 THR A 38 4.439 9.557 5.746 1.00 0.00 O ATOM 594 CG2 THR A 38 4.283 7.457 4.557 1.00 0.00 C ATOM 0 H THR A 38 2.665 10.900 3.645 1.00 0.00 H new ATOM 0 HA THR A 38 5.365 9.873 3.372 1.00 0.00 H new ATOM 0 HB THR A 38 2.780 8.951 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.164 9.080 6.557 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.965 6.964 5.476 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.815 6.968 3.702 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.367 7.389 4.465 1.00 0.00 H new ATOM 602 N PRO A 39 5.073 8.222 1.487 1.00 0.00 N ATOM 603 CA PRO A 39 4.943 7.399 0.284 1.00 0.00 C ATOM 604 C PRO A 39 4.159 6.114 0.538 1.00 0.00 C ATOM 605 O PRO A 39 4.165 5.566 1.649 1.00 0.00 O ATOM 606 CB PRO A 39 6.391 7.080 -0.096 1.00 0.00 C ATOM 607 CG PRO A 39 7.159 7.232 1.171 1.00 0.00 C ATOM 608 CD PRO A 39 6.467 8.311 1.947 1.00 0.00 C ATOM 0 HA PRO A 39 4.390 7.916 -0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.482 6.070 -0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.757 7.760 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.175 6.297 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.196 7.501 0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.547 8.147 3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.896 9.292 1.742 1.00 0.00 H new ATOM 616 N LEU A 40 3.490 5.625 -0.497 1.00 0.00 N ATOM 617 CA LEU A 40 2.681 4.417 -0.409 1.00 0.00 C ATOM 618 C LEU A 40 3.533 3.192 -0.128 1.00 0.00 C ATOM 619 O LEU A 40 3.021 2.150 0.276 1.00 0.00 O ATOM 620 CB LEU A 40 1.887 4.203 -1.689 1.00 0.00 C ATOM 621 CG LEU A 40 0.942 5.333 -2.097 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.076 4.894 -3.254 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.083 5.775 -0.924 1.00 0.00 C ATOM 0 H LEU A 40 3.493 6.055 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 40 1.991 4.554 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.591 4.035 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.302 3.290 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 40 1.543 6.186 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.593 5.707 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.708 4.633 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.512 4.025 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.580 6.580 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.512 4.933 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.724 6.130 -0.117 1.00 0.00 H new ATOM 635 N SER A 41 4.837 3.319 -0.344 1.00 0.00 N ATOM 636 CA SER A 41 5.781 2.229 -0.149 1.00 0.00 C ATOM 637 C SER A 41 5.606 1.565 1.210 1.00 0.00 C ATOM 638 O SER A 41 5.715 0.344 1.334 1.00 0.00 O ATOM 639 CB SER A 41 7.197 2.762 -0.282 1.00 0.00 C ATOM 640 OG SER A 41 7.384 3.898 0.544 1.00 0.00 O ATOM 0 H SER A 41 5.270 4.186 -0.661 1.00 0.00 H new ATOM 0 HA SER A 41 5.589 1.474 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.911 1.985 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.396 3.025 -1.321 1.00 0.00 H new ATOM 0 HG SER A 41 8.302 4.226 0.446 1.00 0.00 H new ATOM 646 N LYS A 42 5.316 2.368 2.229 1.00 0.00 N ATOM 647 CA LYS A 42 5.123 1.856 3.575 1.00 0.00 C ATOM 648 C LYS A 42 4.033 0.792 3.594 1.00 0.00 C ATOM 649 O LYS A 42 4.257 -0.335 4.040 1.00 0.00 O ATOM 650 CB LYS A 42 4.751 3.003 4.526 1.00 0.00 C ATOM 651 CG LYS A 42 5.760 4.156 4.566 1.00 0.00 C ATOM 652 CD LYS A 42 6.857 3.953 5.617 1.00 0.00 C ATOM 653 CE LYS A 42 7.759 2.773 5.296 1.00 0.00 C ATOM 654 NZ LYS A 42 8.865 2.643 6.272 1.00 0.00 N ATOM 0 H LYS A 42 5.210 3.379 2.144 1.00 0.00 H new ATOM 0 HA LYS A 42 6.056 1.402 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.779 3.399 4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.640 2.600 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.220 4.263 3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.232 5.087 4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.460 4.858 5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.397 3.799 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.170 1.856 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.171 2.893 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.458 1.827 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.443 3.508 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.472 2.503 7.225 1.00 0.00 H new ATOM 668 N LEU A 43 2.862 1.127 3.071 1.00 0.00 N ATOM 669 CA LEU A 43 1.759 0.187 3.048 1.00 0.00 C ATOM 670 C LEU A 43 1.955 -0.874 1.979 1.00 0.00 C ATOM 671 O LEU A 43 1.526 -2.009 2.142 1.00 0.00 O ATOM 672 CB LEU A 43 0.385 0.898 2.913 1.00 0.00 C ATOM 673 CG LEU A 43 0.140 1.783 1.672 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.115 0.946 0.425 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.034 2.704 1.921 1.00 0.00 C ATOM 0 H LEU A 43 2.655 2.037 2.660 1.00 0.00 H new ATOM 0 HA LEU A 43 1.752 -0.321 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.390 0.132 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.243 1.519 3.798 1.00 0.00 H new ATOM 0 HG LEU A 43 1.040 2.373 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.283 1.605 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.750 0.312 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.995 0.321 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.202 3.326 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.926 2.110 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.821 3.340 2.780 1.00 0.00 H new ATOM 687 N MET A 44 2.611 -0.504 0.876 1.00 0.00 N ATOM 688 CA MET A 44 2.835 -1.431 -0.225 1.00 0.00 C ATOM 689 C MET A 44 3.574 -2.667 0.227 1.00 0.00 C ATOM 690 O MET A 44 3.094 -3.782 0.058 1.00 0.00 O ATOM 691 CB MET A 44 3.623 -0.769 -1.338 1.00 0.00 C ATOM 692 CG MET A 44 2.825 0.171 -2.202 1.00 0.00 C ATOM 693 SD MET A 44 3.781 0.758 -3.599 1.00 0.00 S ATOM 694 CE MET A 44 2.577 1.784 -4.419 1.00 0.00 C ATOM 0 H MET A 44 2.994 0.430 0.726 1.00 0.00 H new ATOM 0 HA MET A 44 1.852 -1.723 -0.594 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.455 -0.219 -0.898 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.054 -1.545 -1.971 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.929 -0.336 -2.561 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.493 1.021 -1.605 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.523 1.510 -5.473 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.601 1.640 -3.956 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.870 2.830 -4.330 1.00 0.00 H new ATOM 704 N LYS A 45 4.736 -2.482 0.825 1.00 0.00 N ATOM 705 CA LYS A 45 5.501 -3.610 1.289 1.00 0.00 C ATOM 706 C LYS A 45 4.822 -4.260 2.481 1.00 0.00 C ATOM 707 O LYS A 45 4.747 -5.470 2.565 1.00 0.00 O ATOM 708 CB LYS A 45 6.948 -3.228 1.635 1.00 0.00 C ATOM 709 CG LYS A 45 7.833 -2.925 0.432 1.00 0.00 C ATOM 710 CD LYS A 45 7.538 -1.568 -0.175 1.00 0.00 C ATOM 711 CE LYS A 45 8.450 -1.275 -1.350 1.00 0.00 C ATOM 712 NZ LYS A 45 9.884 -1.259 -0.961 1.00 0.00 N ATOM 0 H LYS A 45 5.162 -1.571 0.997 1.00 0.00 H new ATOM 0 HA LYS A 45 5.545 -4.328 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.933 -2.354 2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.398 -4.042 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.879 -2.965 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.690 -3.697 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.499 -1.533 -0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.660 -0.795 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.294 -2.026 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.183 -0.311 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.377 -0.506 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.965 -1.082 0.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.316 -2.178 -1.188 1.00 0.00 H new ATOM 726 N ALA A 46 4.256 -3.441 3.375 1.00 0.00 N ATOM 727 CA ALA A 46 3.605 -3.954 4.584 1.00 0.00 C ATOM 728 C ALA A 46 2.486 -4.914 4.222 1.00 0.00 C ATOM 729 O ALA A 46 2.358 -5.991 4.804 1.00 0.00 O ATOM 730 CB ALA A 46 3.065 -2.817 5.430 1.00 0.00 C ATOM 0 H ALA A 46 4.236 -2.425 3.284 1.00 0.00 H new ATOM 0 HA ALA A 46 4.353 -4.492 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.586 -3.222 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.885 -2.161 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.335 -2.249 4.853 1.00 0.00 H new ATOM 736 N TYR A 47 1.681 -4.524 3.246 1.00 0.00 N ATOM 737 CA TYR A 47 0.578 -5.337 2.752 1.00 0.00 C ATOM 738 C TYR A 47 1.087 -6.656 2.210 1.00 0.00 C ATOM 739 O TYR A 47 0.628 -7.714 2.606 1.00 0.00 O ATOM 740 CB TYR A 47 -0.183 -4.563 1.653 1.00 0.00 C ATOM 741 CG TYR A 47 -1.107 -5.407 0.788 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.426 -5.640 1.155 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.653 -5.956 -0.408 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.265 -6.400 0.358 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.482 -6.713 -1.206 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.784 -6.934 -0.822 1.00 0.00 C ATOM 747 OH TYR A 47 -3.610 -7.688 -1.622 1.00 0.00 O ATOM 0 H TYR A 47 1.775 -3.627 2.770 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.101 -5.550 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.772 -3.777 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.545 -4.071 1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.803 -5.222 2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.368 -5.785 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.288 -6.574 0.657 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.111 -7.132 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.527 -7.642 -1.281 1.00 0.00 H new ATOM 757 N CYS A 48 2.053 -6.593 1.331 1.00 0.00 N ATOM 758 CA CYS A 48 2.584 -7.780 0.699 1.00 0.00 C ATOM 759 C CYS A 48 3.240 -8.709 1.705 1.00 0.00 C ATOM 760 O CYS A 48 3.173 -9.924 1.578 1.00 0.00 O ATOM 761 CB CYS A 48 3.561 -7.380 -0.375 1.00 0.00 C ATOM 762 SG CYS A 48 2.870 -6.197 -1.527 1.00 0.00 S ATOM 0 H CYS A 48 2.494 -5.723 1.032 1.00 0.00 H new ATOM 0 HA CYS A 48 1.757 -8.330 0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.450 -6.953 0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.880 -8.268 -0.920 1.00 0.00 H new ATOM 0 HG CYS A 48 3.805 -5.390 -1.933 1.00 0.00 H new ATOM 768 N GLU A 49 3.860 -8.143 2.712 1.00 0.00 N ATOM 769 CA GLU A 49 4.502 -8.920 3.744 1.00 0.00 C ATOM 770 C GLU A 49 3.483 -9.677 4.588 1.00 0.00 C ATOM 771 O GLU A 49 3.695 -10.827 4.954 1.00 0.00 O ATOM 772 CB GLU A 49 5.346 -8.007 4.607 1.00 0.00 C ATOM 773 CG GLU A 49 6.472 -7.359 3.835 1.00 0.00 C ATOM 774 CD GLU A 49 7.456 -8.363 3.270 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.403 -8.748 3.991 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.286 -8.778 2.098 1.00 0.00 O ATOM 0 H GLU A 49 3.934 -7.134 2.839 1.00 0.00 H new ATOM 0 HA GLU A 49 5.143 -9.665 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.712 -7.232 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.761 -8.578 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.054 -6.770 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.002 -6.667 4.489 1.00 0.00 H new ATOM 783 N ARG A 50 2.367 -9.043 4.882 1.00 0.00 N ATOM 784 CA ARG A 50 1.332 -9.676 5.684 1.00 0.00 C ATOM 785 C ARG A 50 0.408 -10.543 4.822 1.00 0.00 C ATOM 786 O ARG A 50 -0.252 -11.448 5.320 1.00 0.00 O ATOM 787 CB ARG A 50 0.534 -8.618 6.463 1.00 0.00 C ATOM 788 CG ARG A 50 -0.064 -7.529 5.592 1.00 0.00 C ATOM 789 CD ARG A 50 -0.582 -6.362 6.416 1.00 0.00 C ATOM 790 NE ARG A 50 0.476 -5.734 7.221 1.00 0.00 N ATOM 791 CZ ARG A 50 0.260 -4.981 8.309 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.976 -4.812 8.773 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.288 -4.417 8.943 1.00 0.00 N ATOM 0 H ARG A 50 2.150 -8.093 4.581 1.00 0.00 H new ATOM 0 HA ARG A 50 1.818 -10.336 6.403 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.269 -9.113 7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.188 -8.158 7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.689 -7.171 4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.879 -7.945 5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.020 -5.617 5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.378 -6.710 7.074 1.00 0.00 H new ATOM 0 HE ARG A 50 1.443 -5.882 6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.763 -5.256 8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.136 -4.238 9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.238 -4.558 8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.124 -3.844 9.771 1.00 0.00 H new ATOM 807 N GLN A 51 0.350 -10.258 3.523 1.00 0.00 N ATOM 808 CA GLN A 51 -0.494 -11.025 2.601 1.00 0.00 C ATOM 809 C GLN A 51 0.298 -12.105 1.880 1.00 0.00 C ATOM 810 O GLN A 51 -0.251 -12.897 1.120 1.00 0.00 O ATOM 811 CB GLN A 51 -1.182 -10.094 1.602 1.00 0.00 C ATOM 812 CG GLN A 51 -2.115 -9.092 2.266 1.00 0.00 C ATOM 813 CD GLN A 51 -3.118 -9.750 3.196 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.227 -10.085 2.799 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.724 -9.942 4.438 1.00 0.00 N ATOM 0 H GLN A 51 0.876 -9.503 3.083 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.261 -11.525 3.193 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.423 -9.555 1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.749 -10.692 0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.524 -8.370 2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.650 -8.536 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.791 -9.648 4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.351 -10.385 5.109 1.00 0.00 H new ATOM 824 N GLY A 52 1.592 -12.145 2.136 1.00 0.00 N ATOM 825 CA GLY A 52 2.446 -13.151 1.526 1.00 0.00 C ATOM 826 C GLY A 52 2.569 -12.970 0.026 1.00 0.00 C ATOM 827 O GLY A 52 2.519 -13.936 -0.739 1.00 0.00 O ATOM 0 H GLY A 52 2.075 -11.497 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.437 -13.105 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.045 -14.142 1.738 1.00 0.00 H new ATOM 831 N LEU A 53 2.743 -11.736 -0.396 1.00 0.00 N ATOM 832 CA LEU A 53 2.853 -11.404 -1.799 1.00 0.00 C ATOM 833 C LEU A 53 4.213 -10.792 -2.099 1.00 0.00 C ATOM 834 O LEU A 53 4.867 -10.226 -1.217 1.00 0.00 O ATOM 835 CB LEU A 53 1.738 -10.438 -2.198 1.00 0.00 C ATOM 836 CG LEU A 53 0.333 -11.037 -2.260 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.720 -9.962 -2.141 1.00 0.00 C ATOM 838 CD2 LEU A 53 0.136 -11.848 -3.532 1.00 0.00 C ATOM 0 H LEU A 53 2.812 -10.932 0.228 1.00 0.00 H new ATOM 0 HA LEU A 53 2.752 -12.320 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.729 -9.610 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.978 -10.019 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 53 0.224 -11.713 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.710 -10.416 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.604 -9.443 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.608 -9.250 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.872 -12.261 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.278 -11.204 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.862 -12.661 -3.561 1.00 0.00 H new ATOM 850 N SER A 54 4.644 -10.913 -3.337 1.00 0.00 N ATOM 851 CA SER A 54 5.917 -10.384 -3.762 1.00 0.00 C ATOM 852 C SER A 54 5.730 -9.081 -4.526 1.00 0.00 C ATOM 853 O SER A 54 4.989 -9.031 -5.500 1.00 0.00 O ATOM 854 CB SER A 54 6.610 -11.402 -4.642 1.00 0.00 C ATOM 855 OG SER A 54 6.949 -12.569 -3.916 1.00 0.00 O ATOM 0 H SER A 54 4.119 -11.382 -4.075 1.00 0.00 H new ATOM 0 HA SER A 54 6.528 -10.180 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.960 -11.667 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.512 -10.962 -5.068 1.00 0.00 H new ATOM 0 HG SER A 54 7.207 -13.279 -4.540 1.00 0.00 H new ATOM 861 N MET A 55 6.427 -8.034 -4.095 1.00 0.00 N ATOM 862 CA MET A 55 6.334 -6.701 -4.726 1.00 0.00 C ATOM 863 C MET A 55 6.639 -6.749 -6.233 1.00 0.00 C ATOM 864 O MET A 55 6.152 -5.930 -6.999 1.00 0.00 O ATOM 865 CB MET A 55 7.312 -5.724 -4.052 1.00 0.00 C ATOM 866 CG MET A 55 7.078 -5.499 -2.567 1.00 0.00 C ATOM 867 SD MET A 55 5.481 -4.749 -2.220 1.00 0.00 S ATOM 868 CE MET A 55 5.599 -3.202 -3.111 1.00 0.00 C ATOM 0 H MET A 55 7.071 -8.074 -3.305 1.00 0.00 H new ATOM 0 HA MET A 55 5.307 -6.360 -4.595 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.327 -6.096 -4.192 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.251 -4.763 -4.563 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.148 -6.453 -2.044 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.868 -4.860 -2.172 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.606 -2.896 -3.441 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.016 -2.436 -2.457 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.246 -3.330 -3.979 1.00 0.00 H new ATOM 878 N ARG A 56 7.451 -7.711 -6.652 1.00 0.00 N ATOM 879 CA ARG A 56 7.846 -7.827 -8.056 1.00 0.00 C ATOM 880 C ARG A 56 6.802 -8.589 -8.860 1.00 0.00 C ATOM 881 O ARG A 56 6.616 -8.356 -10.051 1.00 0.00 O ATOM 882 CB ARG A 56 9.212 -8.526 -8.194 1.00 0.00 C ATOM 883 CG ARG A 56 10.352 -7.860 -7.433 1.00 0.00 C ATOM 884 CD ARG A 56 10.354 -8.236 -5.960 1.00 0.00 C ATOM 885 NE ARG A 56 10.607 -9.661 -5.742 1.00 0.00 N ATOM 886 CZ ARG A 56 10.479 -10.274 -4.561 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.164 -9.572 -3.474 1.00 0.00 N ATOM 888 NH2 ARG A 56 10.699 -11.577 -4.458 1.00 0.00 N ATOM 0 H ARG A 56 7.851 -8.424 -6.042 1.00 0.00 H new ATOM 0 HA ARG A 56 7.926 -6.814 -8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.114 -9.555 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.476 -8.570 -9.251 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.303 -8.148 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.268 -6.778 -7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.115 -7.652 -5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.393 -7.970 -5.520 1.00 0.00 H new ATOM 0 HE ARG A 56 10.900 -10.222 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.020 -8.564 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.067 -10.042 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.967 -12.116 -5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.600 -12.041 -3.555 1.00 0.00 H new ATOM 902 N GLN A 57 6.124 -9.511 -8.202 1.00 0.00 N ATOM 903 CA GLN A 57 5.125 -10.342 -8.856 1.00 0.00 C ATOM 904 C GLN A 57 3.765 -9.680 -8.863 1.00 0.00 C ATOM 905 O GLN A 57 2.952 -9.904 -9.760 1.00 0.00 O ATOM 906 CB GLN A 57 5.051 -11.723 -8.194 1.00 0.00 C ATOM 907 CG GLN A 57 6.169 -12.663 -8.604 1.00 0.00 C ATOM 908 CD GLN A 57 7.318 -12.656 -7.637 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.372 -13.450 -6.703 1.00 0.00 O ATOM 910 NE2 GLN A 57 8.228 -11.746 -7.838 1.00 0.00 N ATOM 0 H GLN A 57 6.247 -9.706 -7.208 1.00 0.00 H new ATOM 0 HA GLN A 57 5.434 -10.470 -9.894 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.074 -11.598 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.094 -12.183 -8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.775 -13.676 -8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.530 -12.381 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.143 -11.106 -8.628 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.025 -11.674 -7.206 1.00 0.00 H new ATOM 919 N ILE A 58 3.505 -8.858 -7.877 1.00 0.00 N ATOM 920 CA ILE A 58 2.240 -8.179 -7.796 1.00 0.00 C ATOM 921 C ILE A 58 2.415 -6.719 -8.192 1.00 0.00 C ATOM 922 O ILE A 58 3.523 -6.280 -8.483 1.00 0.00 O ATOM 923 CB ILE A 58 1.642 -8.274 -6.371 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.305 -7.276 -5.434 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.819 -9.679 -5.837 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.512 -7.039 -4.181 1.00 0.00 C ATOM 0 H ILE A 58 4.154 -8.644 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 58 1.547 -8.663 -8.484 1.00 0.00 H new ATOM 0 HB ILE A 58 0.580 -8.036 -6.426 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.298 -7.639 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.442 -6.329 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.397 -9.743 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.307 -10.384 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.881 -9.923 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.034 -6.318 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.528 -6.648 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.398 -7.978 -3.640 1.00 0.00 H new ATOM 938 N ARG A 59 1.336 -5.970 -8.214 1.00 0.00 N ATOM 939 CA ARG A 59 1.402 -4.571 -8.555 1.00 0.00 C ATOM 940 C ARG A 59 0.214 -3.832 -7.994 1.00 0.00 C ATOM 941 O ARG A 59 -0.911 -4.347 -7.980 1.00 0.00 O ATOM 942 CB ARG A 59 1.468 -4.379 -10.069 1.00 0.00 C ATOM 943 CG ARG A 59 1.709 -2.934 -10.500 1.00 0.00 C ATOM 944 CD ARG A 59 3.079 -2.446 -10.054 1.00 0.00 C ATOM 945 NE ARG A 59 3.305 -1.043 -10.398 1.00 0.00 N ATOM 946 CZ ARG A 59 4.241 -0.616 -11.254 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.038 -1.487 -11.871 1.00 0.00 N ATOM 948 NH2 ARG A 59 4.380 0.683 -11.485 1.00 0.00 N ATOM 0 H ARG A 59 0.399 -6.310 -7.998 1.00 0.00 H new ATOM 0 HA ARG A 59 2.312 -4.163 -8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.265 -5.005 -10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.535 -4.729 -10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.628 -2.857 -11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.936 -2.292 -10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.175 -2.574 -8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.850 -3.061 -10.518 1.00 0.00 H new ATOM 0 HE ARG A 59 2.709 -0.343 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.937 -2.486 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.749 -1.155 -12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.774 1.353 -11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.092 1.012 -12.137 1.00 0.00 H new ATOM 962 N PHE A 60 0.461 -2.635 -7.521 1.00 0.00 N ATOM 963 CA PHE A 60 -0.571 -1.789 -6.979 1.00 0.00 C ATOM 964 C PHE A 60 -1.137 -0.887 -8.070 1.00 0.00 C ATOM 965 O PHE A 60 -0.400 -0.402 -8.939 1.00 0.00 O ATOM 966 CB PHE A 60 -0.002 -0.944 -5.841 1.00 0.00 C ATOM 967 CG PHE A 60 0.112 -1.660 -4.525 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.754 -2.885 -4.429 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.421 -1.099 -3.378 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.853 -3.535 -3.218 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.323 -1.742 -2.168 1.00 0.00 C ATOM 972 CZ PHE A 60 0.313 -2.962 -2.085 1.00 0.00 C ATOM 0 H PHE A 60 1.392 -2.218 -7.502 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.375 -2.414 -6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.986 -0.586 -6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.633 -0.065 -5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.181 -3.335 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.921 -0.143 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.352 -4.491 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.744 -1.291 -1.282 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.389 -3.469 -1.134 1.00 0.00 H new ATOM 982 N ARG A 61 -2.432 -0.666 -8.035 1.00 0.00 N ATOM 983 CA ARG A 61 -3.094 0.182 -9.008 1.00 0.00 C ATOM 984 C ARG A 61 -4.155 1.045 -8.337 1.00 0.00 C ATOM 985 O ARG A 61 -4.887 0.587 -7.459 1.00 0.00 O ATOM 986 CB ARG A 61 -3.720 -0.668 -10.117 1.00 0.00 C ATOM 987 CG ARG A 61 -4.471 0.140 -11.170 1.00 0.00 C ATOM 988 CD ARG A 61 -5.077 -0.755 -12.235 1.00 0.00 C ATOM 989 NE ARG A 61 -4.056 -1.522 -12.957 1.00 0.00 N ATOM 990 CZ ARG A 61 -4.329 -2.448 -13.882 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.587 -2.708 -14.223 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.342 -3.102 -14.471 1.00 0.00 N ATOM 0 H ARG A 61 -3.057 -1.066 -7.335 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.348 0.841 -9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.934 -1.243 -10.607 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.406 -1.385 -9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.259 0.720 -10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.790 0.852 -11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.785 -1.442 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.640 -0.146 -12.942 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.077 -1.337 -12.740 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.351 -2.200 -13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.788 -3.416 -14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.374 -2.900 -14.219 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.548 -3.809 -15.177 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.229 2.296 -8.743 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.199 3.227 -8.208 1.00 0.00 C ATOM 1008 C PHE A 62 -5.578 4.218 -9.293 1.00 0.00 C ATOM 1009 O PHE A 62 -4.732 4.618 -10.076 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.616 3.962 -6.994 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.601 4.847 -6.280 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.450 4.319 -5.322 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.673 6.203 -6.561 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.352 5.125 -4.659 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.574 7.015 -5.901 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.416 6.475 -4.949 1.00 0.00 C ATOM 0 H PHE A 62 -3.617 2.696 -9.454 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.087 2.685 -7.883 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.228 3.226 -6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.771 4.567 -7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.406 3.265 -5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.016 6.629 -7.305 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.008 4.701 -3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.620 8.070 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.123 7.106 -4.432 1.00 0.00 H new ATOM 1026 N ASP A 63 -6.859 4.584 -9.363 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.361 5.552 -10.367 1.00 0.00 C ATOM 1028 C ASP A 63 -7.273 4.943 -11.761 1.00 0.00 C ATOM 1029 O ASP A 63 -7.242 5.640 -12.769 1.00 0.00 O ATOM 1030 CB ASP A 63 -6.529 6.848 -10.317 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.227 8.053 -10.929 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -7.989 8.729 -10.209 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.000 8.344 -12.125 1.00 0.00 O ATOM 0 H ASP A 63 -7.580 4.227 -8.736 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.401 5.787 -10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.284 7.071 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.586 6.683 -10.838 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.261 3.628 -11.818 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.146 2.947 -13.081 1.00 0.00 C ATOM 1040 C GLY A 64 -5.721 2.931 -13.597 1.00 0.00 C ATOM 1041 O GLY A 64 -5.440 2.370 -14.656 1.00 0.00 O ATOM 0 H GLY A 64 -7.329 3.015 -11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.503 1.923 -12.973 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.790 3.433 -13.814 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.802 3.529 -12.847 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.410 3.573 -13.260 1.00 0.00 C ATOM 1047 C GLN A 65 -2.527 2.872 -12.231 1.00 0.00 C ATOM 1048 O GLN A 65 -2.739 3.004 -11.027 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.939 5.021 -13.463 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.130 5.901 -12.246 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.373 7.206 -12.321 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.153 7.760 -13.396 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -1.960 7.696 -11.175 1.00 0.00 N ATOM 0 H GLN A 65 -4.997 3.986 -11.956 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.326 3.051 -14.213 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.883 5.015 -13.734 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.481 5.455 -14.303 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.192 6.113 -12.124 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.810 5.355 -11.359 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.165 7.203 -10.306 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.434 8.570 -11.154 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.552 2.082 -12.687 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.622 1.407 -11.791 1.00 0.00 C ATOM 1064 C PRO A 66 0.244 2.410 -11.035 1.00 0.00 C ATOM 1065 O PRO A 66 0.673 3.424 -11.588 1.00 0.00 O ATOM 1066 CB PRO A 66 0.234 0.543 -12.720 1.00 0.00 C ATOM 1067 CG PRO A 66 0.075 1.149 -14.070 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.289 1.773 -14.099 1.00 0.00 C ATOM 0 HA PRO A 66 -1.136 0.823 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.278 0.544 -12.408 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.100 -0.495 -12.712 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.847 1.896 -14.253 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.172 0.392 -14.849 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.307 2.671 -14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.035 1.090 -14.507 1.00 0.00 H new ATOM 1076 N ILE A 67 0.504 2.128 -9.781 1.00 0.00 N ATOM 1077 CA ILE A 67 1.286 3.024 -8.950 1.00 0.00 C ATOM 1078 C ILE A 67 2.600 2.380 -8.539 1.00 0.00 C ATOM 1079 O ILE A 67 2.800 1.174 -8.723 1.00 0.00 O ATOM 1080 CB ILE A 67 0.496 3.487 -7.704 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.119 2.287 -6.978 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.583 4.484 -8.109 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -0.958 2.653 -5.772 1.00 0.00 C ATOM 0 H ILE A 67 0.186 1.282 -9.308 1.00 0.00 H new ATOM 0 HA ILE A 67 1.507 3.907 -9.549 1.00 0.00 H new ATOM 0 HB ILE A 67 1.184 3.980 -7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.738 1.730 -7.681 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.682 1.620 -6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.134 4.804 -7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.119 5.350 -8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.269 4.012 -8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.356 1.746 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.341 3.183 -5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.783 3.294 -6.083 1.00 0.00 H new ATOM 1095 N ASN A 68 3.494 3.181 -8.003 1.00 0.00 N ATOM 1096 CA ASN A 68 4.821 2.723 -7.608 1.00 0.00 C ATOM 1097 C ASN A 68 5.137 3.104 -6.187 1.00 0.00 C ATOM 1098 O ASN A 68 4.620 4.074 -5.673 1.00 0.00 O ATOM 1099 CB ASN A 68 5.904 3.284 -8.539 1.00 0.00 C ATOM 1100 CG ASN A 68 5.658 4.717 -9.008 1.00 0.00 C ATOM 1101 OD1 ASN A 68 6.006 5.075 -10.132 1.00 0.00 O ATOM 1102 ND2 ASN A 68 5.078 5.543 -8.160 1.00 0.00 N ATOM 0 H ASN A 68 3.328 4.172 -7.826 1.00 0.00 H new ATOM 0 HA ASN A 68 4.814 1.636 -7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.864 3.244 -8.024 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.984 2.638 -9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.905 6.512 -8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.802 5.213 -7.235 1.00 0.00 H new ATOM 1109 N GLU A 69 6.042 2.361 -5.566 1.00 0.00 N ATOM 1110 CA GLU A 69 6.422 2.597 -4.171 1.00 0.00 C ATOM 1111 C GLU A 69 7.004 4.004 -3.963 1.00 0.00 C ATOM 1112 O GLU A 69 7.194 4.455 -2.836 1.00 0.00 O ATOM 1113 CB GLU A 69 7.434 1.541 -3.717 1.00 0.00 C ATOM 1114 CG GLU A 69 8.747 1.588 -4.475 1.00 0.00 C ATOM 1115 CD GLU A 69 9.794 0.658 -3.898 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.335 0.959 -2.810 1.00 0.00 O ATOM 1117 OE2 GLU A 69 10.074 -0.385 -4.514 1.00 0.00 O ATOM 0 H GLU A 69 6.533 1.583 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 69 5.517 2.522 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.634 1.675 -2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.991 0.552 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.569 1.324 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.130 2.608 -4.466 1.00 0.00 H new ATOM 1124 N THR A 70 7.283 4.696 -5.049 1.00 0.00 N ATOM 1125 CA THR A 70 7.854 6.011 -4.966 1.00 0.00 C ATOM 1126 C THR A 70 6.787 7.110 -5.139 1.00 0.00 C ATOM 1127 O THR A 70 7.117 8.295 -5.248 1.00 0.00 O ATOM 1128 CB THR A 70 8.990 6.192 -6.009 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.714 7.403 -5.759 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.435 6.217 -7.421 1.00 0.00 C ATOM 0 H THR A 70 7.120 4.362 -5.999 1.00 0.00 H new ATOM 0 HA THR A 70 8.279 6.113 -3.967 1.00 0.00 H new ATOM 0 HB THR A 70 9.666 5.342 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.085 8.120 -5.536 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.252 6.345 -8.131 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.920 5.279 -7.626 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.734 7.046 -7.522 1.00 0.00 H new ATOM 1138 N ASP A 71 5.503 6.735 -5.149 1.00 0.00 N ATOM 1139 CA ASP A 71 4.438 7.734 -5.295 1.00 0.00 C ATOM 1140 C ASP A 71 3.857 8.103 -3.935 1.00 0.00 C ATOM 1141 O ASP A 71 4.023 7.371 -2.945 1.00 0.00 O ATOM 1142 CB ASP A 71 3.317 7.257 -6.253 1.00 0.00 C ATOM 1143 CG ASP A 71 2.198 6.493 -5.577 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.273 7.139 -5.055 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.234 5.250 -5.604 1.00 0.00 O ATOM 0 H ASP A 71 5.181 5.771 -5.060 1.00 0.00 H new ATOM 0 HA ASP A 71 4.888 8.622 -5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.894 8.125 -6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.759 6.624 -7.023 1.00 0.00 H new ATOM 1150 N THR A 72 3.210 9.252 -3.874 1.00 0.00 N ATOM 1151 CA THR A 72 2.609 9.726 -2.651 1.00 0.00 C ATOM 1152 C THR A 72 1.091 9.859 -2.812 1.00 0.00 C ATOM 1153 O THR A 72 0.597 10.171 -3.904 1.00 0.00 O ATOM 1154 CB THR A 72 3.200 11.096 -2.244 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.000 12.046 -3.302 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.688 10.975 -1.946 1.00 0.00 C ATOM 0 H THR A 72 3.089 9.878 -4.670 1.00 0.00 H new ATOM 0 HA THR A 72 2.826 8.997 -1.870 1.00 0.00 H new ATOM 0 HB THR A 72 2.689 11.436 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.374 12.913 -3.039 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.083 11.951 -1.662 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.839 10.270 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.209 10.617 -2.834 1.00 0.00 H new ATOM 1164 N PRO A 73 0.329 9.658 -1.719 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.134 9.752 -1.750 1.00 0.00 C ATOM 1166 C PRO A 73 -1.607 11.158 -2.113 1.00 0.00 C ATOM 1167 O PRO A 73 -2.737 11.361 -2.545 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.550 9.401 -0.312 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.334 9.647 0.508 1.00 0.00 C ATOM 1170 CD PRO A 73 0.830 9.323 -0.376 1.00 0.00 C ATOM 0 HA PRO A 73 -1.571 9.095 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.383 10.020 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.874 8.363 -0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.293 10.683 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.332 9.022 1.401 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.710 9.910 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.114 8.273 -0.301 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.735 12.131 -1.946 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.057 13.510 -2.259 1.00 0.00 C ATOM 1180 C ALA A 74 -0.917 13.780 -3.752 1.00 0.00 C ATOM 1181 O ALA A 74 -1.499 14.724 -4.282 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.163 14.450 -1.466 1.00 0.00 C ATOM 0 H ALA A 74 0.211 11.991 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.095 13.689 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.414 15.482 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.313 14.282 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.880 14.261 -1.720 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.155 12.940 -4.432 1.00 0.00 N ATOM 1189 CA GLN A 75 0.090 13.104 -5.853 1.00 0.00 C ATOM 1190 C GLN A 75 -1.136 12.698 -6.657 1.00 0.00 C ATOM 1191 O GLN A 75 -1.648 13.458 -7.478 1.00 0.00 O ATOM 1192 CB GLN A 75 1.283 12.251 -6.264 1.00 0.00 C ATOM 1193 CG GLN A 75 1.940 12.678 -7.556 1.00 0.00 C ATOM 1194 CD GLN A 75 3.172 11.857 -7.866 1.00 0.00 C ATOM 1195 OE1 GLN A 75 3.108 10.856 -8.574 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.296 12.259 -7.309 1.00 0.00 N ATOM 0 H GLN A 75 0.308 12.131 -4.017 1.00 0.00 H new ATOM 0 HA GLN A 75 0.304 14.154 -6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.026 12.278 -5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.957 11.215 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.226 12.583 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.213 13.731 -7.492 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.306 13.097 -6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.157 11.732 -7.459 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.605 11.493 -6.413 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.768 10.969 -7.115 1.00 0.00 C ATOM 1207 C LEU A 76 -4.093 11.412 -6.465 1.00 0.00 C ATOM 1208 O LEU A 76 -5.174 10.998 -6.890 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.682 9.433 -7.239 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.256 8.660 -5.976 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -3.234 8.865 -4.862 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.101 7.186 -6.283 1.00 0.00 C ATOM 0 H LEU A 76 -1.200 10.851 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.761 11.393 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.658 9.062 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.979 9.195 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.291 9.051 -5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.907 8.308 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.291 9.926 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.217 8.511 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.800 6.656 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.051 6.787 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.341 7.053 -7.052 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.992 12.267 -5.434 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.161 12.792 -4.708 1.00 0.00 C ATOM 1226 C GLU A 77 -5.965 11.675 -4.041 1.00 0.00 C ATOM 1227 O GLU A 77 -7.131 11.430 -4.371 1.00 0.00 O ATOM 1228 CB GLU A 77 -6.054 13.640 -5.624 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.360 14.869 -6.184 1.00 0.00 C ATOM 1230 CD GLU A 77 -6.263 15.698 -7.067 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -7.023 16.530 -6.532 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -6.209 15.534 -8.298 1.00 0.00 O ATOM 0 H GLU A 77 -3.100 12.613 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.781 13.439 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.402 13.022 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.937 13.954 -5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.000 15.485 -5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.485 14.558 -6.756 1.00 0.00 H new ATOM 1239 N MET A 78 -5.329 10.987 -3.109 1.00 0.00 N ATOM 1240 CA MET A 78 -5.950 9.893 -2.386 1.00 0.00 C ATOM 1241 C MET A 78 -6.858 10.381 -1.285 1.00 0.00 C ATOM 1242 O MET A 78 -6.463 11.187 -0.431 1.00 0.00 O ATOM 1243 CB MET A 78 -4.885 8.989 -1.792 1.00 0.00 C ATOM 1244 CG MET A 78 -4.874 7.604 -2.382 1.00 0.00 C ATOM 1245 SD MET A 78 -3.412 6.673 -1.916 1.00 0.00 S ATOM 1246 CE MET A 78 -3.421 5.420 -3.184 1.00 0.00 C ATOM 0 H MET A 78 -4.365 11.172 -2.832 1.00 0.00 H new ATOM 0 HA MET A 78 -6.557 9.339 -3.102 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.907 9.447 -1.941 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.041 8.915 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.764 7.066 -2.055 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.925 7.674 -3.469 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.637 4.691 -2.981 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.389 4.919 -3.193 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.243 5.883 -4.155 1.00 0.00 H new ATOM 1256 N GLU A 79 -8.079 9.910 -1.312 1.00 0.00 N ATOM 1257 CA GLU A 79 -9.042 10.200 -0.303 1.00 0.00 C ATOM 1258 C GLU A 79 -8.935 9.164 0.819 1.00 0.00 C ATOM 1259 O GLU A 79 -8.421 8.062 0.609 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.425 10.152 -0.942 1.00 0.00 C ATOM 1261 CG GLU A 79 -11.551 10.429 0.002 1.00 0.00 C ATOM 1262 CD GLU A 79 -12.893 10.414 -0.683 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -13.460 9.311 -0.873 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -13.381 11.500 -1.055 1.00 0.00 O ATOM 0 H GLU A 79 -8.429 9.304 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.867 11.187 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.462 10.877 -1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.573 9.168 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.545 9.685 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.397 11.400 0.472 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.403 9.507 2.007 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.378 8.579 3.128 1.00 0.00 C ATOM 1273 C ASP A 80 -10.380 7.467 2.910 1.00 0.00 C ATOM 1274 O ASP A 80 -11.427 7.670 2.282 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.690 9.290 4.450 1.00 0.00 C ATOM 1276 CG ASP A 80 -11.065 9.925 4.467 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -11.263 10.942 3.777 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.951 9.412 5.176 1.00 0.00 O ATOM 0 H ASP A 80 -9.805 10.420 2.221 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.373 8.162 3.187 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.616 8.574 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.938 10.058 4.630 1.00 0.00 H new ATOM 1283 N GLU A 81 -10.047 6.278 3.406 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.910 5.108 3.332 1.00 0.00 C ATOM 1285 C GLU A 81 -11.091 4.618 1.904 1.00 0.00 C ATOM 1286 O GLU A 81 -11.980 3.805 1.616 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.244 5.398 4.001 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.089 5.739 5.467 1.00 0.00 C ATOM 1289 CD GLU A 81 -11.661 4.548 6.289 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -12.535 3.809 6.779 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -10.451 4.338 6.443 1.00 0.00 O ATOM 0 H GLU A 81 -9.159 6.101 3.876 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.423 4.297 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.733 6.226 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.895 4.530 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.354 6.537 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.035 6.122 5.851 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.239 5.084 1.006 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.293 4.651 -0.381 1.00 0.00 C ATOM 1300 C ASP A 82 -9.552 3.323 -0.519 1.00 0.00 C ATOM 1301 O ASP A 82 -8.837 2.904 0.404 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.690 5.706 -1.305 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.398 5.762 -2.644 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.240 4.827 -3.448 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -11.123 6.760 -2.899 1.00 0.00 O ATOM 0 H ASP A 82 -9.504 5.760 1.211 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.334 4.516 -0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.746 6.683 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.634 5.488 -1.463 1.00 0.00 H new ATOM 1310 N THR A 83 -9.693 2.658 -1.647 1.00 0.00 N ATOM 1311 CA THR A 83 -9.097 1.347 -1.799 1.00 0.00 C ATOM 1312 C THR A 83 -8.188 1.244 -3.035 1.00 0.00 C ATOM 1313 O THR A 83 -8.497 1.759 -4.118 1.00 0.00 O ATOM 1314 CB THR A 83 -10.187 0.250 -1.850 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.102 0.428 -0.759 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.571 -1.136 -1.760 1.00 0.00 C ATOM 0 H THR A 83 -10.207 2.997 -2.460 1.00 0.00 H new ATOM 0 HA THR A 83 -8.468 1.192 -0.922 1.00 0.00 H new ATOM 0 HB THR A 83 -10.713 0.338 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.792 -0.267 -0.794 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.359 -1.888 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.887 -1.285 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.024 -1.231 -0.822 1.00 0.00 H new ATOM 1324 N ILE A 84 -7.076 0.548 -2.859 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.105 0.324 -3.915 1.00 0.00 C ATOM 1326 C ILE A 84 -6.286 -1.080 -4.457 1.00 0.00 C ATOM 1327 O ILE A 84 -6.417 -2.032 -3.692 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.633 0.493 -3.419 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.334 1.945 -3.021 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.645 0.032 -4.482 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.836 2.332 -1.647 1.00 0.00 C ATOM 0 H ILE A 84 -6.821 0.119 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.278 1.072 -4.689 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.518 -0.133 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.256 2.105 -3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.781 2.611 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.627 0.160 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.819 -1.020 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.780 0.626 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.582 3.373 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.918 2.208 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.369 1.694 -0.896 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.294 -1.216 -5.761 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.506 -2.510 -6.386 1.00 0.00 C ATOM 1345 C ASP A 85 -5.185 -3.176 -6.736 1.00 0.00 C ATOM 1346 O ASP A 85 -4.340 -2.596 -7.411 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.389 -2.370 -7.624 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.806 -1.978 -7.274 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.616 -2.878 -6.975 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -9.118 -0.765 -7.283 1.00 0.00 O ATOM 0 H ASP A 85 -6.156 -0.447 -6.417 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.019 -3.150 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.961 -1.621 -8.291 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.399 -3.314 -8.169 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.998 -4.391 -6.255 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.773 -5.135 -6.498 1.00 0.00 C ATOM 1357 C VAL A 86 -3.988 -6.297 -7.468 1.00 0.00 C ATOM 1358 O VAL A 86 -4.968 -7.046 -7.370 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.173 -5.660 -5.170 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.079 -6.679 -5.423 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.635 -4.507 -4.351 1.00 0.00 C ATOM 0 H VAL A 86 -5.685 -4.889 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.069 -4.442 -6.959 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.969 -6.155 -4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.679 -7.027 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.490 -7.524 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.281 -6.219 -6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.215 -4.887 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.858 -3.991 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.444 -3.811 -4.128 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.039 -6.468 -8.381 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.095 -7.514 -9.400 1.00 0.00 C ATOM 1373 C PHE A 87 -1.723 -8.174 -9.515 1.00 0.00 C ATOM 1374 O PHE A 87 -0.739 -7.656 -8.988 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.496 -6.917 -10.759 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.744 -6.081 -10.713 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.667 -4.725 -10.454 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.991 -6.650 -10.919 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.803 -3.952 -10.399 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -7.134 -5.880 -10.867 1.00 0.00 C ATOM 1381 CZ PHE A 87 -7.041 -4.528 -10.607 1.00 0.00 C ATOM 0 H PHE A 87 -2.205 -5.884 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.841 -8.255 -9.111 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.675 -6.306 -11.133 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.640 -7.728 -11.473 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.702 -4.267 -10.293 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.068 -7.708 -11.122 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.727 -2.895 -10.193 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.100 -6.334 -11.029 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.934 -3.922 -10.566 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.646 -9.313 -10.182 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.376 -10.007 -10.365 1.00 0.00 C ATOM 1393 C GLN A 88 0.063 -9.993 -11.835 1.00 0.00 C ATOM 1394 O GLN A 88 -0.577 -10.599 -12.694 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.466 -11.465 -9.879 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.174 -11.690 -8.397 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.307 -11.265 -7.472 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.242 -12.023 -7.237 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.199 -10.086 -6.893 1.00 0.00 N ATOM 0 H GLN A 88 -2.447 -9.780 -10.607 1.00 0.00 H new ATOM 0 HA GLN A 88 0.365 -9.474 -9.769 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.467 -11.839 -10.094 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.231 -12.067 -10.463 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.037 -12.747 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.728 -11.140 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.408 -9.481 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.907 -9.779 -6.226 1.00 0.00 H new