USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 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 65 CYS SG : rot -90:sc= 0.799 USER MOD Set 1.2: A 70 THR OG1 : rot -120:sc= -0.333 USER MOD Set 2.1: A 61 THR OG1 : rot 72:sc= 0.973 USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.934 K(o=1.9,f=-9.1!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.258 K(o=-0.26,f=-1) USER MOD Single : A 31 SER OG : rot -27:sc= -0.483 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.825 X(o=-0.83,f=-0.56) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -158:sc= 0.765! USER MOD Single : A 60 SER OG : rot 10:sc= -0.43 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 148:sc= -0.518 (180deg=-2.26!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 68:sc= 0.955 USER MOD Single : A 93 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-6.7!) USER MOD Single : A 95 MET CE :methyl 149:sc= -0.362 (180deg=-1.26) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 104 TYR OH : rot -110:sc= -0.665 USER MOD Single : A 106 MET CE :methyl -166:sc= -0.0232 (180deg=-0.408) USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 4.965 18.522 -0.517 1.00 0.00 N ATOM 228 CA GLU A 18 6.113 17.735 -0.083 1.00 0.00 C ATOM 229 C GLU A 18 5.796 16.243 -0.121 1.00 0.00 C ATOM 230 O GLU A 18 6.565 15.447 -0.660 1.00 0.00 O ATOM 231 CB GLU A 18 6.533 18.143 1.331 1.00 0.00 C ATOM 232 CG GLU A 18 7.563 17.213 1.952 1.00 0.00 C ATOM 233 CD GLU A 18 8.678 16.853 0.990 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.280 17.778 0.405 1.00 0.00 O ATOM 235 OE2 GLU A 18 8.950 15.645 0.823 1.00 0.00 O ATOM 0 HA GLU A 18 6.936 17.931 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.939 19.154 1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.650 18.172 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.990 17.688 2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.069 16.301 2.287 1.00 0.00 H new ATOM 242 N LEU A 19 4.658 15.872 0.456 1.00 0.00 N ATOM 243 CA LEU A 19 4.238 14.475 0.489 1.00 0.00 C ATOM 244 C LEU A 19 3.770 14.014 -0.887 1.00 0.00 C ATOM 245 O LEU A 19 4.112 12.921 -1.336 1.00 0.00 O ATOM 246 CB LEU A 19 3.117 14.284 1.512 1.00 0.00 C ATOM 247 CG LEU A 19 3.540 14.292 2.981 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.499 13.147 3.267 1.00 0.00 C ATOM 249 CD2 LEU A 19 4.174 15.626 3.346 1.00 0.00 C ATOM 0 H LEU A 19 4.010 16.518 0.907 1.00 0.00 H new ATOM 0 HA LEU A 19 5.096 13.870 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.379 15.072 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.619 13.337 1.303 1.00 0.00 H new ATOM 0 HG LEU A 19 2.651 14.155 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.789 13.169 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.010 12.199 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.387 13.252 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.469 15.614 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.053 15.793 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.455 16.428 3.181 1.00 0.00 H new ATOM 261 N GLY A 20 2.988 14.858 -1.554 1.00 0.00 N ATOM 262 CA GLY A 20 2.488 14.520 -2.874 1.00 0.00 C ATOM 263 C GLY A 20 3.603 14.257 -3.867 1.00 0.00 C ATOM 264 O GLY A 20 3.378 13.666 -4.923 1.00 0.00 O ATOM 0 H GLY A 20 2.692 15.769 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.853 13.637 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.863 15.334 -3.242 1.00 0.00 H new ATOM 268 N LYS A 21 4.810 14.698 -3.529 1.00 0.00 N ATOM 269 CA LYS A 21 5.966 14.508 -4.398 1.00 0.00 C ATOM 270 C LYS A 21 6.628 13.159 -4.136 1.00 0.00 C ATOM 271 O LYS A 21 7.581 12.783 -4.817 1.00 0.00 O ATOM 272 CB LYS A 21 6.979 15.635 -4.186 1.00 0.00 C ATOM 273 CG LYS A 21 6.574 16.948 -4.834 1.00 0.00 C ATOM 274 CD LYS A 21 6.873 16.950 -6.324 1.00 0.00 C ATOM 275 CE LYS A 21 8.354 17.162 -6.595 1.00 0.00 C ATOM 276 NZ LYS A 21 8.785 16.511 -7.863 1.00 0.00 N ATOM 0 H LYS A 21 5.013 15.190 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 21 5.620 14.528 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.114 15.794 -3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.944 15.325 -4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.509 17.120 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.105 17.770 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.554 16.004 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.297 17.737 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.565 18.230 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.936 16.761 -5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.801 16.679 -8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.608 15.488 -7.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.248 16.911 -8.659 1.00 0.00 H new ATOM 290 N ILE A 22 6.115 12.436 -3.146 1.00 0.00 N ATOM 291 CA ILE A 22 6.655 11.128 -2.796 1.00 0.00 C ATOM 292 C ILE A 22 6.005 10.026 -3.625 1.00 0.00 C ATOM 293 O ILE A 22 6.687 9.269 -4.317 1.00 0.00 O ATOM 294 CB ILE A 22 6.455 10.817 -1.301 1.00 0.00 C ATOM 295 CG1 ILE A 22 6.984 11.968 -0.443 1.00 0.00 C ATOM 296 CG2 ILE A 22 7.148 9.514 -0.934 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.651 11.830 1.026 1.00 0.00 C ATOM 0 H ILE A 22 5.326 12.734 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 22 7.723 11.160 -3.011 1.00 0.00 H new ATOM 0 HB ILE A 22 5.388 10.705 -1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.066 12.028 -0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.572 12.906 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.998 9.308 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.729 8.700 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.215 9.599 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.057 12.681 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.569 11.800 1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.087 10.909 1.413 1.00 0.00 H new ATOM 309 N LEU A 23 4.681 9.941 -3.552 1.00 0.00 N ATOM 310 CA LEU A 23 3.937 8.932 -4.297 1.00 0.00 C ATOM 311 C LEU A 23 3.218 9.555 -5.489 1.00 0.00 C ATOM 312 O LEU A 23 2.092 9.178 -5.813 1.00 0.00 O ATOM 313 CB LEU A 23 2.925 8.238 -3.383 1.00 0.00 C ATOM 314 CG LEU A 23 3.501 7.229 -2.389 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.386 6.428 -1.734 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.489 6.302 -3.082 1.00 0.00 C ATOM 0 H LEU A 23 4.101 10.559 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 23 4.647 8.194 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.387 9.003 -2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.193 7.726 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 23 4.032 7.778 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.815 5.715 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.716 7.104 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.827 5.890 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.889 5.591 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.982 5.761 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.305 6.889 -3.503 1.00 0.00 H new ATOM 328 N GLN A 24 3.877 10.510 -6.138 1.00 0.00 N ATOM 329 CA GLN A 24 3.300 11.184 -7.295 1.00 0.00 C ATOM 330 C GLN A 24 3.046 10.197 -8.430 1.00 0.00 C ATOM 331 O GLN A 24 3.982 9.646 -9.008 1.00 0.00 O ATOM 332 CB GLN A 24 4.227 12.303 -7.774 1.00 0.00 C ATOM 333 CG GLN A 24 3.688 13.069 -8.972 1.00 0.00 C ATOM 334 CD GLN A 24 2.215 13.400 -8.837 1.00 0.00 C ATOM 335 OE1 GLN A 24 1.361 12.737 -9.426 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.909 14.432 -8.060 1.00 0.00 N ATOM 0 H GLN A 24 4.810 10.834 -5.882 1.00 0.00 H new ATOM 0 HA GLN A 24 2.346 11.616 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.395 13.000 -6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.196 11.875 -8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.255 13.992 -9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.843 12.479 -9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.649 14.954 -7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.934 14.703 -7.932 1.00 0.00 H new ATOM 345 N GLY A 25 1.773 9.978 -8.743 1.00 0.00 N ATOM 346 CA GLY A 25 1.419 9.057 -9.807 1.00 0.00 C ATOM 347 C GLY A 25 1.227 7.639 -9.306 1.00 0.00 C ATOM 348 O GLY A 25 1.458 6.677 -10.039 1.00 0.00 O ATOM 0 H GLY A 25 0.981 10.422 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.501 9.397 -10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.200 9.068 -10.568 1.00 0.00 H new ATOM 352 N VAL A 26 0.803 7.508 -8.053 1.00 0.00 N ATOM 353 CA VAL A 26 0.581 6.197 -7.454 1.00 0.00 C ATOM 354 C VAL A 26 -0.868 6.035 -7.009 1.00 0.00 C ATOM 355 O VAL A 26 -1.548 7.014 -6.702 1.00 0.00 O ATOM 356 CB VAL A 26 1.507 5.968 -6.245 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.192 4.639 -5.576 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.966 6.027 -6.673 1.00 0.00 C ATOM 0 H VAL A 26 0.606 8.294 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 26 0.808 5.456 -8.221 1.00 0.00 H new ATOM 0 HB VAL A 26 1.333 6.763 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.856 4.494 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.157 4.640 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.337 3.829 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.606 5.863 -5.806 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.158 5.254 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.180 7.006 -7.102 1.00 0.00 H new ATOM 368 N VAL A 27 -1.335 4.791 -6.975 1.00 0.00 N ATOM 369 CA VAL A 27 -2.704 4.500 -6.566 1.00 0.00 C ATOM 370 C VAL A 27 -2.743 3.363 -5.550 1.00 0.00 C ATOM 371 O VAL A 27 -2.182 2.292 -5.779 1.00 0.00 O ATOM 372 CB VAL A 27 -3.584 4.125 -7.773 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.022 3.895 -7.335 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.509 5.205 -8.842 1.00 0.00 C ATOM 0 H VAL A 27 -0.786 3.969 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.097 5.408 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.208 3.196 -8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.628 3.631 -8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.056 3.084 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.414 4.805 -6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.137 4.924 -9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.859 6.151 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.477 5.315 -9.176 1.00 0.00 H new ATOM 384 N VAL A 28 -3.411 3.604 -4.426 1.00 0.00 N ATOM 385 CA VAL A 28 -3.526 2.600 -3.375 1.00 0.00 C ATOM 386 C VAL A 28 -4.981 2.207 -3.147 1.00 0.00 C ATOM 387 O VAL A 28 -5.895 2.987 -3.414 1.00 0.00 O ATOM 388 CB VAL A 28 -2.928 3.106 -2.049 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.411 3.176 -2.138 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.512 4.462 -1.685 1.00 0.00 C ATOM 0 H VAL A 28 -3.881 4.486 -4.220 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.965 1.727 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.189 2.400 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.007 3.536 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.013 2.183 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.125 3.859 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.078 4.805 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.284 5.180 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.593 4.375 -1.575 1.00 0.00 H new ATOM 400 N VAL A 29 -5.189 0.991 -2.651 1.00 0.00 N ATOM 401 CA VAL A 29 -6.534 0.494 -2.385 1.00 0.00 C ATOM 402 C VAL A 29 -6.668 0.017 -0.944 1.00 0.00 C ATOM 403 O VAL A 29 -5.846 -0.760 -0.456 1.00 0.00 O ATOM 404 CB VAL A 29 -6.902 -0.663 -3.333 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.306 -1.168 -3.040 1.00 0.00 C ATOM 406 CG2 VAL A 29 -6.778 -0.222 -4.784 1.00 0.00 C ATOM 0 H VAL A 29 -4.444 0.332 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.218 1.325 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.204 -1.483 -3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.548 -1.985 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.357 -1.525 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.021 -0.357 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.042 -1.051 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.451 0.615 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.752 0.087 -4.984 1.00 0.00 H new ATOM 416 N LEU A 30 -7.710 0.486 -0.266 1.00 0.00 N ATOM 417 CA LEU A 30 -7.953 0.107 1.122 1.00 0.00 C ATOM 418 C LEU A 30 -8.703 -1.219 1.201 1.00 0.00 C ATOM 419 O LEU A 30 -9.740 -1.396 0.560 1.00 0.00 O ATOM 420 CB LEU A 30 -8.749 1.200 1.837 1.00 0.00 C ATOM 421 CG LEU A 30 -8.005 2.510 2.098 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.935 3.536 2.728 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.794 2.269 2.986 1.00 0.00 C ATOM 0 H LEU A 30 -8.400 1.129 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.988 -0.013 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.637 1.421 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.094 0.805 2.792 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.657 2.903 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.388 4.462 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.770 3.732 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.314 3.151 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.277 3.213 3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.119 1.851 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.117 1.570 2.496 1.00 0.00 H new ATOM 435 N SER A 31 -8.174 -2.146 1.992 1.00 0.00 N ATOM 436 CA SER A 31 -8.793 -3.457 2.154 1.00 0.00 C ATOM 437 C SER A 31 -8.551 -4.002 3.558 1.00 0.00 C ATOM 438 O SER A 31 -7.414 -4.074 4.021 1.00 0.00 O ATOM 439 CB SER A 31 -8.245 -4.435 1.113 1.00 0.00 C ATOM 440 OG SER A 31 -6.845 -4.600 1.256 1.00 0.00 O ATOM 0 H SER A 31 -7.318 -2.014 2.531 1.00 0.00 H new ATOM 0 HA SER A 31 -9.867 -3.345 2.007 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.741 -5.400 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.471 -4.069 0.111 1.00 0.00 H new ATOM 0 HG SER A 31 -6.459 -3.792 1.655 1.00 0.00 H new ATOM 446 N GLY A 32 -9.632 -4.385 4.232 1.00 0.00 N ATOM 447 CA GLY A 32 -9.517 -4.919 5.576 1.00 0.00 C ATOM 448 C GLY A 32 -9.199 -3.848 6.600 1.00 0.00 C ATOM 449 O GLY A 32 -8.362 -4.049 7.481 1.00 0.00 O ATOM 0 H GLY A 32 -10.585 -4.335 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.450 -5.412 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.736 -5.680 5.596 1.00 0.00 H new ATOM 453 N PHE A 33 -9.867 -2.705 6.485 1.00 0.00 N ATOM 454 CA PHE A 33 -9.649 -1.596 7.407 1.00 0.00 C ATOM 455 C PHE A 33 -10.972 -1.101 7.985 1.00 0.00 C ATOM 456 O PHE A 33 -12.022 -1.230 7.356 1.00 0.00 O ATOM 457 CB PHE A 33 -8.929 -0.448 6.696 1.00 0.00 C ATOM 458 CG PHE A 33 -7.558 -0.813 6.205 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.602 -1.303 7.080 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.224 -0.666 4.868 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.339 -1.641 6.631 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.963 -1.002 4.414 1.00 0.00 C ATOM 463 CZ PHE A 33 -5.019 -1.489 5.297 1.00 0.00 C ATOM 0 H PHE A 33 -10.564 -2.522 5.763 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.026 -1.955 8.226 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.533 -0.119 5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.848 0.398 7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.846 -1.422 8.125 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.958 -0.285 4.173 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.604 -2.024 7.323 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.716 -0.884 3.369 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.032 -1.750 4.944 1.00 0.00 H new ATOM 473 N GLN A 34 -10.911 -0.535 9.186 1.00 0.00 N ATOM 474 CA GLN A 34 -12.104 -0.022 9.849 1.00 0.00 C ATOM 475 C GLN A 34 -11.811 1.299 10.553 1.00 0.00 C ATOM 476 O GLN A 34 -10.732 1.488 11.112 1.00 0.00 O ATOM 477 CB GLN A 34 -12.632 -1.044 10.857 1.00 0.00 C ATOM 478 CG GLN A 34 -11.564 -1.580 11.797 1.00 0.00 C ATOM 479 CD GLN A 34 -12.105 -2.609 12.770 1.00 0.00 C ATOM 480 OE1 GLN A 34 -12.612 -3.655 12.366 1.00 0.00 O ATOM 481 NE2 GLN A 34 -12.000 -2.316 14.061 1.00 0.00 N ATOM 0 H GLN A 34 -10.049 -0.420 9.719 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.864 0.154 9.088 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.425 -0.584 11.446 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.079 -1.878 10.316 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.761 -2.027 11.211 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -11.128 -0.752 12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.572 -1.437 14.351 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.347 -2.970 14.762 1.00 0.00 H new ATOM 490 N ASN A 35 -12.778 2.209 10.520 1.00 0.00 N ATOM 491 CA ASN A 35 -12.623 3.513 11.154 1.00 0.00 C ATOM 492 C ASN A 35 -12.523 3.373 12.670 1.00 0.00 C ATOM 493 O ASN A 35 -12.917 2.362 13.252 1.00 0.00 O ATOM 494 CB ASN A 35 -13.798 4.423 10.791 1.00 0.00 C ATOM 495 CG ASN A 35 -15.072 3.644 10.524 1.00 0.00 C ATOM 496 OD1 ASN A 35 -15.811 3.305 11.449 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.334 3.356 9.254 1.00 0.00 N ATOM 0 H ASN A 35 -13.678 2.068 10.061 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.699 3.960 10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.971 5.130 11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.541 5.008 9.908 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.176 2.834 9.013 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.693 3.657 8.520 1.00 0.00 H new ATOM 504 N PRO A 36 -11.984 4.411 13.326 1.00 0.00 N ATOM 505 CA PRO A 36 -11.511 5.619 12.644 1.00 0.00 C ATOM 506 C PRO A 36 -10.256 5.365 11.817 1.00 0.00 C ATOM 507 O PRO A 36 -10.059 5.974 10.765 1.00 0.00 O ATOM 508 CB PRO A 36 -11.207 6.581 13.795 1.00 0.00 C ATOM 509 CG PRO A 36 -10.923 5.697 14.961 1.00 0.00 C ATOM 510 CD PRO A 36 -11.794 4.485 14.784 1.00 0.00 C ATOM 0 HA PRO A 36 -12.246 6.000 11.935 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.353 7.218 13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.052 7.240 13.994 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.869 5.419 14.992 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.147 6.205 15.899 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.316 3.586 15.173 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.744 4.593 15.308 1.00 0.00 H new ATOM 518 N PHE A 37 -9.410 4.460 12.297 1.00 0.00 N ATOM 519 CA PHE A 37 -8.173 4.125 11.602 1.00 0.00 C ATOM 520 C PHE A 37 -8.368 4.174 10.089 1.00 0.00 C ATOM 521 O PHE A 37 -7.628 4.855 9.379 1.00 0.00 O ATOM 522 CB PHE A 37 -7.688 2.735 12.020 1.00 0.00 C ATOM 523 CG PHE A 37 -6.490 2.260 11.248 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.211 2.620 11.639 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.644 1.454 10.132 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.107 2.186 10.930 1.00 0.00 C ATOM 527 CE2 PHE A 37 -5.543 1.016 9.419 1.00 0.00 C ATOM 528 CZ PHE A 37 -4.273 1.382 9.819 1.00 0.00 C ATOM 0 H PHE A 37 -9.559 3.945 13.165 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.420 4.863 11.878 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.444 2.749 13.082 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.501 2.021 11.889 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.075 3.247 12.508 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.635 1.164 9.815 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.115 2.475 11.244 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.676 0.388 8.550 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.411 1.040 9.265 1.00 0.00 H new ATOM 538 N ARG A 38 -9.370 3.448 9.604 1.00 0.00 N ATOM 539 CA ARG A 38 -9.662 3.406 8.177 1.00 0.00 C ATOM 540 C ARG A 38 -9.426 4.770 7.534 1.00 0.00 C ATOM 541 O ARG A 38 -8.743 4.877 6.515 1.00 0.00 O ATOM 542 CB ARG A 38 -11.108 2.964 7.943 1.00 0.00 C ATOM 543 CG ARG A 38 -11.559 3.097 6.498 1.00 0.00 C ATOM 544 CD ARG A 38 -13.075 3.169 6.392 1.00 0.00 C ATOM 545 NE ARG A 38 -13.557 2.674 5.105 1.00 0.00 N ATOM 546 CZ ARG A 38 -14.789 2.218 4.908 1.00 0.00 C ATOM 547 NH1 ARG A 38 -15.658 2.194 5.909 1.00 0.00 N ATOM 548 NH2 ARG A 38 -15.154 1.785 3.708 1.00 0.00 N ATOM 0 H ARG A 38 -9.993 2.881 10.179 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.989 2.684 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.216 1.925 8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.767 3.557 8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.120 3.993 6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.193 2.247 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.523 2.585 7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.400 4.201 6.528 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.912 2.679 4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.381 2.526 6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.603 1.843 5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.488 1.802 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.100 1.435 3.558 1.00 0.00 H new ATOM 562 N SER A 39 -9.995 5.809 8.136 1.00 0.00 N ATOM 563 CA SER A 39 -9.850 7.165 7.620 1.00 0.00 C ATOM 564 C SER A 39 -8.443 7.696 7.876 1.00 0.00 C ATOM 565 O SER A 39 -7.878 8.411 7.048 1.00 0.00 O ATOM 566 CB SER A 39 -10.882 8.092 8.266 1.00 0.00 C ATOM 567 OG SER A 39 -12.200 7.720 7.902 1.00 0.00 O ATOM 0 H SER A 39 -10.561 5.738 8.982 1.00 0.00 H new ATOM 0 HA SER A 39 -10.019 7.138 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.778 8.058 9.350 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.693 9.121 7.960 1.00 0.00 H new ATOM 0 HG SER A 39 -12.841 8.326 8.329 1.00 0.00 H new ATOM 573 N GLU A 40 -7.883 7.340 9.028 1.00 0.00 N ATOM 574 CA GLU A 40 -6.542 7.781 9.393 1.00 0.00 C ATOM 575 C GLU A 40 -5.534 7.418 8.305 1.00 0.00 C ATOM 576 O GLU A 40 -4.776 8.268 7.837 1.00 0.00 O ATOM 577 CB GLU A 40 -6.120 7.156 10.724 1.00 0.00 C ATOM 578 CG GLU A 40 -4.664 7.407 11.080 1.00 0.00 C ATOM 579 CD GLU A 40 -4.275 6.793 12.411 1.00 0.00 C ATOM 580 OE1 GLU A 40 -4.582 5.603 12.629 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.663 7.505 13.235 1.00 0.00 O ATOM 0 H GLU A 40 -8.337 6.748 9.724 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.561 8.866 9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.753 7.552 11.518 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.295 6.081 10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.026 6.999 10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.482 8.481 11.112 1.00 0.00 H new ATOM 588 N LEU A 41 -5.532 6.150 7.909 1.00 0.00 N ATOM 589 CA LEU A 41 -4.618 5.672 6.877 1.00 0.00 C ATOM 590 C LEU A 41 -4.852 6.407 5.561 1.00 0.00 C ATOM 591 O LEU A 41 -3.956 7.076 5.045 1.00 0.00 O ATOM 592 CB LEU A 41 -4.792 4.167 6.672 1.00 0.00 C ATOM 593 CG LEU A 41 -3.559 3.410 6.177 1.00 0.00 C ATOM 594 CD1 LEU A 41 -3.570 1.978 6.689 1.00 0.00 C ATOM 595 CD2 LEU A 41 -3.492 3.435 4.657 1.00 0.00 C ATOM 0 H LEU A 41 -6.153 5.434 8.287 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.599 5.872 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.109 3.726 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.601 4.009 5.959 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.671 3.906 6.568 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.685 1.455 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.568 1.981 7.779 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.465 1.470 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.608 2.892 4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.385 2.964 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.435 4.467 4.312 1.00 0.00 H new ATOM 607 N ARG A 42 -6.060 6.278 5.024 1.00 0.00 N ATOM 608 CA ARG A 42 -6.412 6.931 3.768 1.00 0.00 C ATOM 609 C ARG A 42 -5.820 8.335 3.701 1.00 0.00 C ATOM 610 O ARG A 42 -5.045 8.651 2.797 1.00 0.00 O ATOM 611 CB ARG A 42 -7.932 6.998 3.612 1.00 0.00 C ATOM 612 CG ARG A 42 -8.382 7.656 2.318 1.00 0.00 C ATOM 613 CD ARG A 42 -9.885 7.527 2.121 1.00 0.00 C ATOM 614 NE ARG A 42 -10.435 8.644 1.357 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.486 9.890 1.813 1.00 0.00 C ATOM 616 NH1 ARG A 42 -10.023 10.178 3.022 1.00 0.00 N ATOM 617 NH2 ARG A 42 -11.002 10.853 1.059 1.00 0.00 N ATOM 0 H ARG A 42 -6.812 5.727 5.438 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.996 6.341 2.951 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.338 5.988 3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.352 7.548 4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.104 8.710 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.863 7.198 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.104 6.592 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.375 7.477 3.093 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.799 8.457 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.626 9.441 3.605 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.064 11.136 3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.360 10.636 0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.041 11.810 1.410 1.00 0.00 H new ATOM 631 N ASP A 43 -6.190 9.174 4.662 1.00 0.00 N ATOM 632 CA ASP A 43 -5.695 10.545 4.713 1.00 0.00 C ATOM 633 C ASP A 43 -4.183 10.585 4.516 1.00 0.00 C ATOM 634 O ASP A 43 -3.673 11.348 3.696 1.00 0.00 O ATOM 635 CB ASP A 43 -6.066 11.194 6.048 1.00 0.00 C ATOM 636 CG ASP A 43 -5.648 12.650 6.119 1.00 0.00 C ATOM 637 OD1 ASP A 43 -5.533 13.287 5.051 1.00 0.00 O ATOM 638 OD2 ASP A 43 -5.435 13.152 7.242 1.00 0.00 O ATOM 0 H ASP A 43 -6.831 8.929 5.417 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.163 11.105 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.143 11.120 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.593 10.643 6.861 1.00 0.00 H new ATOM 643 N LYS A 44 -3.471 9.759 5.275 1.00 0.00 N ATOM 644 CA LYS A 44 -2.017 9.698 5.184 1.00 0.00 C ATOM 645 C LYS A 44 -1.575 9.301 3.780 1.00 0.00 C ATOM 646 O LYS A 44 -0.697 9.934 3.193 1.00 0.00 O ATOM 647 CB LYS A 44 -1.463 8.702 6.205 1.00 0.00 C ATOM 648 CG LYS A 44 -1.337 9.274 7.607 1.00 0.00 C ATOM 649 CD LYS A 44 -1.157 8.177 8.643 1.00 0.00 C ATOM 650 CE LYS A 44 -1.030 8.751 10.046 1.00 0.00 C ATOM 651 NZ LYS A 44 -0.997 7.681 11.082 1.00 0.00 N ATOM 0 H LYS A 44 -3.877 9.122 5.960 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.623 10.691 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.112 7.827 6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.483 8.360 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.488 9.957 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.227 9.857 7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.006 7.495 8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.268 7.593 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.121 9.349 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.868 9.420 10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.910 8.113 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.875 7.126 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.183 7.057 10.911 1.00 0.00 H new ATOM 665 N ALA A 45 -2.190 8.251 3.245 1.00 0.00 N ATOM 666 CA ALA A 45 -1.862 7.772 1.908 1.00 0.00 C ATOM 667 C ALA A 45 -2.056 8.871 0.869 1.00 0.00 C ATOM 668 O ALA A 45 -1.277 8.989 -0.078 1.00 0.00 O ATOM 669 CB ALA A 45 -2.709 6.558 1.560 1.00 0.00 C ATOM 0 H ALA A 45 -2.918 7.716 3.718 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.811 7.482 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.453 6.211 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.517 5.762 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.764 6.829 1.592 1.00 0.00 H new ATOM 675 N LEU A 46 -3.100 9.672 1.050 1.00 0.00 N ATOM 676 CA LEU A 46 -3.398 10.762 0.128 1.00 0.00 C ATOM 677 C LEU A 46 -2.271 11.790 0.117 1.00 0.00 C ATOM 678 O LEU A 46 -1.840 12.242 -0.943 1.00 0.00 O ATOM 679 CB LEU A 46 -4.716 11.437 0.512 1.00 0.00 C ATOM 680 CG LEU A 46 -5.975 10.581 0.368 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.147 11.231 1.087 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.304 10.359 -1.101 1.00 0.00 C ATOM 0 H LEU A 46 -3.755 9.587 1.827 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.491 10.342 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.643 11.769 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.836 12.330 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.786 9.611 0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.034 10.608 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.911 11.337 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.337 12.215 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.203 9.748 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.473 11.321 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.472 9.849 -1.587 1.00 0.00 H new ATOM 694 N GLU A 47 -1.798 12.154 1.305 1.00 0.00 N ATOM 695 CA GLU A 47 -0.720 13.128 1.432 1.00 0.00 C ATOM 696 C GLU A 47 0.432 12.790 0.491 1.00 0.00 C ATOM 697 O GLU A 47 0.860 13.623 -0.309 1.00 0.00 O ATOM 698 CB GLU A 47 -0.215 13.178 2.876 1.00 0.00 C ATOM 699 CG GLU A 47 -0.952 14.185 3.743 1.00 0.00 C ATOM 700 CD GLU A 47 -0.091 14.725 4.869 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.967 15.319 4.576 1.00 0.00 O ATOM 702 OE2 GLU A 47 -0.477 14.553 6.045 1.00 0.00 O ATOM 0 H GLU A 47 -2.144 11.789 2.193 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.115 14.106 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.313 12.188 3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.847 13.423 2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.293 15.013 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.841 13.715 4.164 1.00 0.00 H new ATOM 709 N LEU A 48 0.930 11.562 0.592 1.00 0.00 N ATOM 710 CA LEU A 48 2.034 11.113 -0.250 1.00 0.00 C ATOM 711 C LEU A 48 1.748 11.399 -1.721 1.00 0.00 C ATOM 712 O LEU A 48 2.659 11.418 -2.548 1.00 0.00 O ATOM 713 CB LEU A 48 2.278 9.616 -0.048 1.00 0.00 C ATOM 714 CG LEU A 48 2.595 9.175 1.382 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.390 7.676 1.535 1.00 0.00 C ATOM 716 CD2 LEU A 48 4.018 9.562 1.757 1.00 0.00 C ATOM 0 H LEU A 48 0.587 10.860 1.248 1.00 0.00 H new ATOM 0 HA LEU A 48 2.928 11.664 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.394 9.075 -0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.103 9.312 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 48 1.911 9.686 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.620 7.380 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.353 7.426 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.049 7.147 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.226 9.240 2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.718 9.079 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.131 10.644 1.688 1.00 0.00 H new ATOM 728 N GLY A 49 0.477 11.623 -2.039 1.00 0.00 N ATOM 729 CA GLY A 49 0.094 11.908 -3.410 1.00 0.00 C ATOM 730 C GLY A 49 -0.490 10.698 -4.111 1.00 0.00 C ATOM 731 O GLY A 49 -0.520 10.639 -5.340 1.00 0.00 O ATOM 0 H GLY A 49 -0.295 11.612 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.636 12.717 -3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.966 12.259 -3.962 1.00 0.00 H new ATOM 735 N ALA A 50 -0.955 9.730 -3.329 1.00 0.00 N ATOM 736 CA ALA A 50 -1.542 8.516 -3.883 1.00 0.00 C ATOM 737 C ALA A 50 -3.064 8.611 -3.924 1.00 0.00 C ATOM 738 O ALA A 50 -3.684 9.197 -3.037 1.00 0.00 O ATOM 739 CB ALA A 50 -1.109 7.303 -3.073 1.00 0.00 C ATOM 0 H ALA A 50 -0.937 9.763 -2.310 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.183 8.403 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.555 6.404 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.023 7.217 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.439 7.418 -2.041 1.00 0.00 H new ATOM 745 N LYS A 51 -3.660 8.031 -4.960 1.00 0.00 N ATOM 746 CA LYS A 51 -5.110 8.049 -5.117 1.00 0.00 C ATOM 747 C LYS A 51 -5.756 6.906 -4.340 1.00 0.00 C ATOM 748 O LYS A 51 -5.241 5.788 -4.319 1.00 0.00 O ATOM 749 CB LYS A 51 -5.484 7.948 -6.598 1.00 0.00 C ATOM 750 CG LYS A 51 -5.301 9.249 -7.361 1.00 0.00 C ATOM 751 CD LYS A 51 -6.127 9.268 -8.636 1.00 0.00 C ATOM 752 CE LYS A 51 -5.346 8.705 -9.814 1.00 0.00 C ATOM 753 NZ LYS A 51 -6.246 8.254 -10.912 1.00 0.00 N ATOM 0 H LYS A 51 -3.161 7.542 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.482 8.992 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.876 7.173 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.524 7.631 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.589 10.087 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.248 9.383 -7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.037 8.686 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.434 10.290 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.663 9.465 -10.193 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.735 7.867 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.676 7.877 -11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.881 7.511 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.811 9.059 -11.251 1.00 0.00 H new ATOM 767 N TYR A 52 -6.886 7.194 -3.704 1.00 0.00 N ATOM 768 CA TYR A 52 -7.601 6.191 -2.925 1.00 0.00 C ATOM 769 C TYR A 52 -8.792 5.643 -3.705 1.00 0.00 C ATOM 770 O TYR A 52 -9.714 6.381 -4.052 1.00 0.00 O ATOM 771 CB TYR A 52 -8.077 6.788 -1.599 1.00 0.00 C ATOM 772 CG TYR A 52 -9.295 6.099 -1.027 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.211 4.814 -0.507 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.531 6.734 -1.007 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.321 4.180 0.016 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.647 6.109 -0.485 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.537 4.832 0.025 1.00 0.00 C ATOM 778 OH TYR A 52 -12.645 4.204 0.546 1.00 0.00 O ATOM 0 H TYR A 52 -7.326 8.114 -3.713 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.914 5.370 -2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.265 6.734 -0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.303 7.844 -1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.261 4.301 -0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.621 7.733 -1.406 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.238 3.180 0.415 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.600 6.617 -0.476 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.421 4.799 0.478 1.00 0.00 H new ATOM 788 N ARG A 53 -8.764 4.342 -3.977 1.00 0.00 N ATOM 789 CA ARG A 53 -9.840 3.693 -4.717 1.00 0.00 C ATOM 790 C ARG A 53 -10.673 2.805 -3.797 1.00 0.00 C ATOM 791 O ARG A 53 -10.160 2.168 -2.877 1.00 0.00 O ATOM 792 CB ARG A 53 -9.268 2.861 -5.866 1.00 0.00 C ATOM 793 CG ARG A 53 -8.754 3.697 -7.026 1.00 0.00 C ATOM 794 CD ARG A 53 -9.897 4.289 -7.836 1.00 0.00 C ATOM 795 NE ARG A 53 -10.328 5.582 -7.311 1.00 0.00 N ATOM 796 CZ ARG A 53 -11.454 6.184 -7.675 1.00 0.00 C ATOM 797 NH1 ARG A 53 -12.259 5.614 -8.561 1.00 0.00 N ATOM 798 NH2 ARG A 53 -11.778 7.360 -7.152 1.00 0.00 N ATOM 0 H ARG A 53 -8.008 3.717 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.486 4.470 -5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.454 2.243 -5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.039 2.183 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.122 4.500 -6.646 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.130 3.080 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.584 4.405 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.740 3.597 -7.833 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.731 6.048 -6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.014 4.710 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.123 6.079 -8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.162 7.802 -6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.643 7.822 -7.432 1.00 0.00 H new ATOM 812 N PRO A 54 -11.990 2.762 -4.050 1.00 0.00 N ATOM 813 CA PRO A 54 -12.922 1.956 -3.256 1.00 0.00 C ATOM 814 C PRO A 54 -12.730 0.460 -3.480 1.00 0.00 C ATOM 815 O PRO A 54 -13.278 -0.363 -2.745 1.00 0.00 O ATOM 816 CB PRO A 54 -14.296 2.400 -3.763 1.00 0.00 C ATOM 817 CG PRO A 54 -14.048 2.894 -5.147 1.00 0.00 C ATOM 818 CD PRO A 54 -12.670 3.496 -5.130 1.00 0.00 C ATOM 0 HA PRO A 54 -12.779 2.104 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.006 1.573 -3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.716 3.183 -3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.109 2.080 -5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.794 3.634 -5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.163 3.365 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.702 4.567 -4.930 1.00 0.00 H new ATOM 826 N ASP A 55 -11.950 0.114 -4.498 1.00 0.00 N ATOM 827 CA ASP A 55 -11.685 -1.284 -4.817 1.00 0.00 C ATOM 828 C ASP A 55 -10.547 -1.405 -5.826 1.00 0.00 C ATOM 829 O ASP A 55 -10.072 -0.404 -6.363 1.00 0.00 O ATOM 830 CB ASP A 55 -12.946 -1.951 -5.370 1.00 0.00 C ATOM 831 CG ASP A 55 -13.633 -1.107 -6.425 1.00 0.00 C ATOM 832 OD1 ASP A 55 -14.413 -0.207 -6.049 1.00 0.00 O ATOM 833 OD2 ASP A 55 -13.390 -1.345 -7.626 1.00 0.00 O ATOM 0 H ASP A 55 -11.490 0.782 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.388 -1.790 -3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.684 -2.919 -5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.641 -2.142 -4.552 1.00 0.00 H new ATOM 838 N TRP A 56 -10.114 -2.635 -6.078 1.00 0.00 N ATOM 839 CA TRP A 56 -9.031 -2.886 -7.021 1.00 0.00 C ATOM 840 C TRP A 56 -9.458 -2.543 -8.444 1.00 0.00 C ATOM 841 O TRP A 56 -10.327 -3.200 -9.018 1.00 0.00 O ATOM 842 CB TRP A 56 -8.590 -4.349 -6.946 1.00 0.00 C ATOM 843 CG TRP A 56 -7.337 -4.632 -7.718 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.231 -5.349 -8.875 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.011 -4.205 -7.386 1.00 0.00 C ATOM 846 NE1 TRP A 56 -5.920 -5.394 -9.283 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.152 -4.699 -8.387 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.467 -3.452 -6.342 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -3.779 -4.464 -8.371 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.105 -3.220 -6.328 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.273 -3.724 -7.338 1.00 0.00 C ATOM 0 H TRP A 56 -10.497 -3.474 -5.642 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.191 -2.247 -6.750 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.434 -4.621 -5.902 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.392 -4.983 -7.324 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.057 -5.813 -9.394 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.575 -5.868 -10.118 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.100 -3.059 -5.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.136 -4.853 -9.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -3.674 -2.640 -5.525 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.212 -3.524 -7.299 1.00 0.00 H new ATOM 862 N THR A 57 -8.842 -1.510 -9.010 1.00 0.00 N ATOM 863 CA THR A 57 -9.159 -1.080 -10.366 1.00 0.00 C ATOM 864 C THR A 57 -7.949 -1.215 -11.283 1.00 0.00 C ATOM 865 O THR A 57 -6.833 -1.458 -10.822 1.00 0.00 O ATOM 866 CB THR A 57 -9.649 0.380 -10.392 1.00 0.00 C ATOM 867 OG1 THR A 57 -9.315 0.987 -11.645 1.00 0.00 O ATOM 868 CG2 THR A 57 -9.029 1.179 -9.255 1.00 0.00 C ATOM 0 H THR A 57 -8.120 -0.955 -8.550 1.00 0.00 H new ATOM 0 HA THR A 57 -9.957 -1.730 -10.725 1.00 0.00 H new ATOM 0 HB THR A 57 -10.732 0.379 -10.267 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.299 1.961 -11.543 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.390 2.207 -9.294 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.309 0.732 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.944 1.171 -9.355 1.00 0.00 H new ATOM 876 N ARG A 58 -8.176 -1.054 -12.582 1.00 0.00 N ATOM 877 CA ARG A 58 -7.104 -1.159 -13.564 1.00 0.00 C ATOM 878 C ARG A 58 -6.099 -0.023 -13.394 1.00 0.00 C ATOM 879 O ARG A 58 -4.982 -0.087 -13.908 1.00 0.00 O ATOM 880 CB ARG A 58 -7.678 -1.138 -14.982 1.00 0.00 C ATOM 881 CG ARG A 58 -8.615 -2.298 -15.277 1.00 0.00 C ATOM 882 CD ARG A 58 -7.845 -3.565 -15.613 1.00 0.00 C ATOM 883 NE ARG A 58 -6.992 -3.392 -16.786 1.00 0.00 N ATOM 884 CZ ARG A 58 -7.451 -3.384 -18.033 1.00 0.00 C ATOM 885 NH1 ARG A 58 -8.746 -3.537 -18.267 1.00 0.00 N ATOM 886 NH2 ARG A 58 -6.612 -3.222 -19.048 1.00 0.00 N ATOM 0 H ARG A 58 -9.093 -0.850 -12.979 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.588 -2.106 -13.402 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.214 -0.201 -15.134 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.856 -1.155 -15.698 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -9.255 -2.478 -14.414 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.268 -2.037 -16.109 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.233 -3.854 -14.759 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.547 -4.379 -15.792 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.990 -3.271 -16.640 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.394 -3.661 -17.489 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.095 -3.530 -19.225 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.614 -3.104 -18.871 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.965 -3.216 -20.005 1.00 0.00 H new ATOM 900 N ASP A 59 -6.504 1.015 -12.671 1.00 0.00 N ATOM 901 CA ASP A 59 -5.639 2.165 -12.433 1.00 0.00 C ATOM 902 C ASP A 59 -4.857 1.996 -11.134 1.00 0.00 C ATOM 903 O ASP A 59 -4.027 2.836 -10.784 1.00 0.00 O ATOM 904 CB ASP A 59 -6.466 3.450 -12.382 1.00 0.00 C ATOM 905 CG ASP A 59 -7.185 3.624 -11.058 1.00 0.00 C ATOM 906 OD1 ASP A 59 -6.573 4.171 -10.118 1.00 0.00 O ATOM 907 OD2 ASP A 59 -8.360 3.210 -10.962 1.00 0.00 O ATOM 0 H ASP A 59 -7.426 1.084 -12.239 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.929 2.232 -13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.813 4.306 -12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.197 3.441 -13.191 1.00 0.00 H new ATOM 912 N SER A 60 -5.128 0.907 -10.422 1.00 0.00 N ATOM 913 CA SER A 60 -4.454 0.631 -9.159 1.00 0.00 C ATOM 914 C SER A 60 -3.105 -0.040 -9.399 1.00 0.00 C ATOM 915 O SER A 60 -3.012 -1.040 -10.112 1.00 0.00 O ATOM 916 CB SER A 60 -5.328 -0.259 -8.273 1.00 0.00 C ATOM 917 OG SER A 60 -6.272 0.512 -7.550 1.00 0.00 O ATOM 0 H SER A 60 -5.810 0.201 -10.699 1.00 0.00 H new ATOM 0 HA SER A 60 -4.284 1.581 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.848 -0.992 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.699 -0.815 -7.578 1.00 0.00 H new ATOM 0 HG SER A 60 -6.270 1.432 -7.888 1.00 0.00 H new ATOM 923 N THR A 61 -2.058 0.518 -8.798 1.00 0.00 N ATOM 924 CA THR A 61 -0.713 -0.024 -8.946 1.00 0.00 C ATOM 925 C THR A 61 -0.283 -0.777 -7.693 1.00 0.00 C ATOM 926 O THR A 61 0.432 -1.772 -7.805 1.00 0.00 O ATOM 927 CB THR A 61 0.311 1.089 -9.240 1.00 0.00 C ATOM 928 OG1 THR A 61 0.345 2.022 -8.155 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.035 1.816 -10.530 1.00 0.00 C ATOM 0 H THR A 61 -2.116 1.345 -8.204 1.00 0.00 H new ATOM 0 HA THR A 61 -0.741 -0.714 -9.789 1.00 0.00 H new ATOM 0 HB THR A 61 1.292 0.628 -9.354 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.782 1.608 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.702 2.597 -10.716 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.031 1.108 -11.359 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.024 2.265 -10.441 1.00 0.00 H new ATOM 937 N HIS A 62 -0.722 -0.294 -6.540 1.00 0.00 N ATOM 938 CA HIS A 62 -0.375 -0.932 -5.281 1.00 0.00 C ATOM 939 C HIS A 62 -1.642 -1.150 -4.451 1.00 0.00 C ATOM 940 O HIS A 62 -2.632 -0.427 -4.567 1.00 0.00 O ATOM 941 CB HIS A 62 0.690 -0.123 -4.538 1.00 0.00 C ATOM 942 CG HIS A 62 1.934 0.147 -5.350 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.981 1.096 -6.356 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.175 -0.416 -5.293 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.200 1.095 -6.875 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.938 0.156 -6.216 1.00 0.00 N ATOM 0 H HIS A 62 -1.315 0.531 -6.451 1.00 0.00 H new ATOM 0 HA HIS A 62 0.065 -1.911 -5.473 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.258 0.828 -4.227 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.970 -0.658 -3.630 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.484 -1.195 -4.612 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.548 1.727 -7.679 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.915 -0.069 -6.402 1.00 0.00 H new ATOM 954 N LEU A 63 -1.588 -2.170 -3.602 1.00 0.00 N ATOM 955 CA LEU A 63 -2.715 -2.508 -2.739 1.00 0.00 C ATOM 956 C LEU A 63 -2.311 -2.450 -1.269 1.00 0.00 C ATOM 957 O LEU A 63 -1.234 -2.914 -0.893 1.00 0.00 O ATOM 958 CB LEU A 63 -3.243 -3.903 -3.080 1.00 0.00 C ATOM 959 CG LEU A 63 -3.870 -4.684 -1.925 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.151 -4.010 -1.458 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.143 -6.122 -2.340 1.00 0.00 C ATOM 0 H LEU A 63 -0.776 -2.778 -3.492 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.504 -1.776 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.986 -3.805 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.420 -4.492 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.165 -4.694 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.583 -4.580 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.927 -2.998 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.862 -3.968 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.589 -6.663 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.829 -6.132 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.207 -6.602 -2.625 1.00 0.00 H new ATOM 973 N ILE A 64 -3.183 -1.881 -0.444 1.00 0.00 N ATOM 974 CA ILE A 64 -2.919 -1.766 0.985 1.00 0.00 C ATOM 975 C ILE A 64 -3.731 -2.785 1.778 1.00 0.00 C ATOM 976 O ILE A 64 -4.894 -2.546 2.105 1.00 0.00 O ATOM 977 CB ILE A 64 -3.240 -0.353 1.505 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.526 0.701 0.657 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.841 -0.223 2.967 1.00 0.00 C ATOM 980 CD1 ILE A 64 -1.023 0.702 0.833 1.00 0.00 C ATOM 0 H ILE A 64 -4.078 -1.492 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.856 -1.963 1.126 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.315 -0.189 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.760 0.530 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.914 1.686 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.074 0.782 3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.391 -0.953 3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.771 -0.404 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.583 1.474 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.779 0.903 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.623 -0.271 0.548 1.00 0.00 H new ATOM 992 N CYS A 65 -3.110 -3.918 2.084 1.00 0.00 N ATOM 993 CA CYS A 65 -3.775 -4.974 2.840 1.00 0.00 C ATOM 994 C CYS A 65 -3.353 -4.942 4.306 1.00 0.00 C ATOM 995 O CYS A 65 -2.165 -4.868 4.618 1.00 0.00 O ATOM 996 CB CYS A 65 -3.457 -6.341 2.235 1.00 0.00 C ATOM 997 SG CYS A 65 -4.561 -7.665 2.781 1.00 0.00 S ATOM 0 H CYS A 65 -2.148 -4.130 1.821 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.850 -4.803 2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.507 -6.266 1.149 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.432 -6.609 2.490 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.077 -8.219 3.853 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.334 -4.996 5.200 1.00 0.00 N ATOM 1004 CA ALA A 66 -4.064 -4.973 6.632 1.00 0.00 C ATOM 1005 C ALA A 66 -3.361 -6.251 7.079 1.00 0.00 C ATOM 1006 O ALA A 66 -2.537 -6.232 7.993 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.357 -4.780 7.410 1.00 0.00 C ATOM 0 H ALA A 66 -5.323 -5.056 4.958 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.400 -4.133 6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.140 -4.765 8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.819 -3.836 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.040 -5.601 7.190 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.693 -7.361 6.428 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.095 -8.649 6.760 1.00 0.00 C ATOM 1015 C PHE A 67 -3.391 -9.681 5.675 1.00 0.00 C ATOM 1016 O PHE A 67 -4.317 -9.516 4.882 1.00 0.00 O ATOM 1017 CB PHE A 67 -3.618 -9.146 8.109 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.020 -8.698 8.411 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.029 -8.858 7.475 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.328 -8.117 9.630 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.319 -8.446 7.749 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.617 -7.704 9.911 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.614 -7.869 8.969 1.00 0.00 C ATOM 0 H PHE A 67 -4.372 -7.395 5.668 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.015 -8.515 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.582 -10.235 8.125 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.955 -8.794 8.899 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.805 -9.310 6.520 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.552 -7.985 10.370 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.096 -8.575 7.010 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.844 -7.253 10.866 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.622 -7.548 9.186 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.596 -10.746 5.648 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.773 -11.806 4.663 1.00 0.00 C ATOM 1035 C ALA A 68 -4.022 -12.629 4.960 1.00 0.00 C ATOM 1036 O ALA A 68 -4.749 -12.349 5.912 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.544 -12.703 4.626 1.00 0.00 C ATOM 0 H ALA A 68 -1.824 -10.897 6.297 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.900 -11.342 3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.690 -13.490 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.669 -12.111 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.391 -13.152 5.608 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.264 -13.646 4.139 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.427 -14.509 4.313 1.00 0.00 C ATOM 1045 C ASN A 69 -6.721 -13.721 4.135 1.00 0.00 C ATOM 1046 O ASN A 69 -7.678 -13.898 4.889 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.401 -15.161 5.697 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.640 -16.473 5.704 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -5.200 -17.529 5.408 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.358 -16.412 6.042 1.00 0.00 N ATOM 0 H ASN A 69 -3.671 -13.893 3.347 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.388 -15.287 3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.944 -14.475 6.410 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.423 -15.335 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.795 -17.262 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.935 -15.515 6.280 1.00 0.00 H new ATOM 1057 N THR A 70 -6.744 -12.851 3.130 1.00 0.00 N ATOM 1058 CA THR A 70 -7.919 -12.035 2.851 1.00 0.00 C ATOM 1059 C THR A 70 -8.425 -12.266 1.432 1.00 0.00 C ATOM 1060 O THR A 70 -7.694 -12.725 0.554 1.00 0.00 O ATOM 1061 CB THR A 70 -7.621 -10.536 3.041 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.274 -10.251 2.647 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.829 -10.122 4.490 1.00 0.00 C ATOM 0 H THR A 70 -5.961 -12.693 2.495 1.00 0.00 H new ATOM 0 HA THR A 70 -8.689 -12.337 3.561 1.00 0.00 H new ATOM 0 HB THR A 70 -8.310 -9.969 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.779 -9.891 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.612 -9.059 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.863 -10.313 4.778 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.161 -10.696 5.132 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.704 -11.939 1.198 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.335 -12.101 -0.115 1.00 0.00 C ATOM 1073 C PRO A 71 -9.794 -11.115 -1.144 1.00 0.00 C ATOM 1074 O PRO A 71 -9.931 -11.321 -2.350 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.814 -11.822 0.165 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.813 -10.950 1.373 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.634 -11.386 2.198 1.00 0.00 C ATOM 0 HA PRO A 71 -10.145 -13.087 -0.539 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.290 -11.326 -0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.364 -12.746 0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.728 -9.899 1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.742 -11.058 1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.191 -10.550 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.917 -12.133 2.940 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.176 -10.042 -0.661 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.612 -9.023 -1.538 1.00 0.00 C ATOM 1087 C LYS A 72 -7.127 -9.277 -1.781 1.00 0.00 C ATOM 1088 O LYS A 72 -6.559 -8.799 -2.763 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.810 -7.632 -0.932 1.00 0.00 C ATOM 1090 CG LYS A 72 -10.134 -6.988 -1.306 1.00 0.00 C ATOM 1091 CD LYS A 72 -10.141 -6.528 -2.754 1.00 0.00 C ATOM 1092 CE LYS A 72 -9.482 -5.166 -2.909 1.00 0.00 C ATOM 1093 NZ LYS A 72 -8.012 -5.281 -3.117 1.00 0.00 N ATOM 0 H LYS A 72 -9.053 -9.856 0.334 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.133 -9.073 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.745 -7.705 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.996 -6.984 -1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.944 -7.700 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.323 -6.137 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.619 -7.259 -3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.168 -6.480 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.928 -4.641 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.677 -4.565 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.685 -4.502 -3.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.527 -5.231 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.796 -6.190 -3.574 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.506 -10.032 -0.882 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.087 -10.348 -0.999 1.00 0.00 C ATOM 1109 C TYR A 73 -4.853 -11.414 -2.065 1.00 0.00 C ATOM 1110 O TYR A 73 -3.920 -11.316 -2.862 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.538 -10.826 0.346 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.285 -11.665 0.225 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.033 -11.069 0.135 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.354 -13.052 0.202 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -0.886 -11.831 0.023 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -2.212 -13.822 0.092 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.981 -13.207 0.002 1.00 0.00 C ATOM 1118 OH TYR A 73 0.159 -13.970 -0.107 1.00 0.00 O ATOM 0 H TYR A 73 -6.962 -10.437 -0.064 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.561 -9.441 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.326 -9.959 0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.306 -11.407 0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.955 -9.992 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.317 -13.537 0.271 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.079 -11.352 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.283 -14.900 0.077 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.082 -14.920 -0.106 1.00 0.00 H new ATOM 1128 N SER A 74 -5.706 -12.433 -2.072 1.00 0.00 N ATOM 1129 CA SER A 74 -5.592 -13.520 -3.037 1.00 0.00 C ATOM 1130 C SER A 74 -6.161 -13.106 -4.391 1.00 0.00 C ATOM 1131 O SER A 74 -5.818 -13.683 -5.422 1.00 0.00 O ATOM 1132 CB SER A 74 -6.318 -14.765 -2.524 1.00 0.00 C ATOM 1133 OG SER A 74 -6.442 -15.740 -3.544 1.00 0.00 O ATOM 0 H SER A 74 -6.484 -12.529 -1.420 1.00 0.00 H new ATOM 0 HA SER A 74 -4.534 -13.752 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.773 -15.186 -1.679 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.307 -14.488 -2.159 1.00 0.00 H new ATOM 0 HG SER A 74 -6.908 -16.526 -3.190 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.034 -12.104 -4.377 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.653 -11.614 -5.603 1.00 0.00 C ATOM 1141 C GLN A 75 -6.654 -10.816 -6.435 1.00 0.00 C ATOM 1142 O GLN A 75 -6.509 -11.043 -7.636 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.869 -10.747 -5.275 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.655 -10.311 -6.501 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.695 -11.332 -6.920 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -10.409 -12.246 -7.693 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.912 -11.180 -6.410 1.00 0.00 N ATOM 0 H GLN A 75 -7.328 -11.616 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.978 -12.476 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.530 -11.301 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.538 -9.862 -4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.147 -9.361 -6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -8.966 -10.139 -7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.105 -10.407 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.654 -11.836 -6.656 1.00 0.00 H new ATOM 1156 N VAL A 76 -5.968 -9.879 -5.788 1.00 0.00 N ATOM 1157 CA VAL A 76 -4.982 -9.047 -6.468 1.00 0.00 C ATOM 1158 C VAL A 76 -3.673 -9.802 -6.672 1.00 0.00 C ATOM 1159 O VAL A 76 -2.818 -9.384 -7.455 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.699 -7.755 -5.680 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.747 -6.855 -6.453 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -5.997 -7.027 -5.366 1.00 0.00 C ATOM 0 H VAL A 76 -6.077 -9.677 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.403 -8.787 -7.439 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.222 -8.023 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.559 -5.947 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.806 -7.379 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.193 -6.593 -7.413 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.778 -6.116 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.504 -6.770 -6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.641 -7.672 -4.768 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.522 -10.916 -5.964 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.317 -11.731 -6.068 1.00 0.00 C ATOM 1174 C LEU A 77 -2.293 -12.503 -7.383 1.00 0.00 C ATOM 1175 O LEU A 77 -1.231 -12.734 -7.960 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.233 -12.704 -4.891 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.209 -13.832 -5.024 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.205 -13.271 -5.035 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.376 -14.840 -3.897 1.00 0.00 C ATOM 0 H LEU A 77 -4.219 -11.275 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.455 -11.065 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.002 -12.135 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.217 -13.149 -4.743 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.382 -14.344 -5.971 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.920 -14.088 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.319 -12.589 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.390 -12.733 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.639 -15.635 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.230 -14.342 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.378 -15.266 -3.936 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.472 -12.897 -7.854 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.564 -13.637 -9.099 1.00 0.00 C ATOM 1193 C GLY A 78 -3.509 -12.734 -10.315 1.00 0.00 C ATOM 1194 O GLY A 78 -3.049 -13.144 -11.382 1.00 0.00 O ATOM 0 H GLY A 78 -4.365 -12.717 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.750 -14.360 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.495 -14.204 -9.113 1.00 0.00 H new ATOM 1198 N LEU A 79 -3.980 -11.502 -10.157 1.00 0.00 N ATOM 1199 CA LEU A 79 -3.984 -10.538 -11.252 1.00 0.00 C ATOM 1200 C LEU A 79 -2.561 -10.171 -11.660 1.00 0.00 C ATOM 1201 O LEU A 79 -2.226 -10.166 -12.844 1.00 0.00 O ATOM 1202 CB LEU A 79 -4.751 -9.279 -10.846 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.273 -9.412 -10.776 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -6.871 -8.281 -9.955 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -6.871 -9.432 -12.176 1.00 0.00 C ATOM 0 H LEU A 79 -4.364 -11.147 -9.281 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.480 -10.998 -12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.389 -8.957 -9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.508 -8.486 -11.553 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.514 -10.355 -10.286 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.955 -8.393 -9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.467 -8.313 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.621 -7.325 -10.416 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.955 -9.527 -12.107 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.620 -8.505 -12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.467 -10.278 -12.732 1.00 0.00 H new ATOM 1217 N GLY A 80 -1.727 -9.867 -10.670 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.349 -9.505 -10.946 1.00 0.00 C ATOM 1219 C GLY A 80 0.011 -8.136 -10.405 1.00 0.00 C ATOM 1220 O GLY A 80 1.002 -7.537 -10.820 1.00 0.00 O ATOM 0 H GLY A 80 -1.981 -9.865 -9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.314 -10.251 -10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.181 -9.522 -12.023 1.00 0.00 H new ATOM 1224 N GLY A 81 -0.799 -7.637 -9.475 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.544 -6.333 -8.892 1.00 0.00 C ATOM 1226 C GLY A 81 0.470 -6.388 -7.768 1.00 0.00 C ATOM 1227 O GLY A 81 0.844 -7.469 -7.312 1.00 0.00 O ATOM 0 H GLY A 81 -1.627 -8.113 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.186 -5.656 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.479 -5.919 -8.514 1.00 0.00 H new ATOM 1231 N ARG A 82 0.919 -5.219 -7.320 1.00 0.00 N ATOM 1232 CA ARG A 82 1.899 -5.139 -6.244 1.00 0.00 C ATOM 1233 C ARG A 82 1.211 -5.109 -4.883 1.00 0.00 C ATOM 1234 O ARG A 82 0.736 -4.063 -4.440 1.00 0.00 O ATOM 1235 CB ARG A 82 2.773 -3.895 -6.413 1.00 0.00 C ATOM 1236 CG ARG A 82 4.100 -3.978 -5.678 1.00 0.00 C ATOM 1237 CD ARG A 82 5.185 -4.586 -6.553 1.00 0.00 C ATOM 1238 NE ARG A 82 5.187 -6.045 -6.489 1.00 0.00 N ATOM 1239 CZ ARG A 82 6.126 -6.804 -7.043 1.00 0.00 C ATOM 1240 NH1 ARG A 82 7.134 -6.245 -7.699 1.00 0.00 N ATOM 1241 NH2 ARG A 82 6.058 -8.125 -6.941 1.00 0.00 N ATOM 0 H ARG A 82 0.619 -4.315 -7.686 1.00 0.00 H new ATOM 0 HA ARG A 82 2.529 -6.027 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.965 -3.738 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.223 -3.024 -6.056 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.404 -2.981 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.980 -4.578 -4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.038 -4.269 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.158 -4.208 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 82 4.426 -6.507 -5.992 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.190 -5.230 -7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.854 -6.830 -8.123 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.284 -8.558 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.779 -8.707 -7.367 1.00 0.00 H new ATOM 1255 N ILE A 83 1.160 -6.262 -4.225 1.00 0.00 N ATOM 1256 CA ILE A 83 0.531 -6.367 -2.915 1.00 0.00 C ATOM 1257 C ILE A 83 1.522 -6.047 -1.801 1.00 0.00 C ATOM 1258 O ILE A 83 2.547 -6.715 -1.657 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.051 -7.774 -2.681 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -0.883 -8.212 -3.887 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.892 -7.795 -1.413 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.248 -9.680 -3.868 1.00 0.00 C ATOM 0 H ILE A 83 1.547 -7.137 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.280 -5.639 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 83 0.773 -8.477 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.797 -7.619 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.327 -7.996 -4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.296 -8.796 -1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.271 -7.521 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.712 -7.083 -1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.838 -9.920 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.339 -10.281 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.831 -9.898 -2.973 1.00 0.00 H new ATOM 1274 N VAL A 84 1.210 -5.023 -1.014 1.00 0.00 N ATOM 1275 CA VAL A 84 2.072 -4.616 0.089 1.00 0.00 C ATOM 1276 C VAL A 84 1.256 -4.319 1.343 1.00 0.00 C ATOM 1277 O VAL A 84 0.105 -3.892 1.260 1.00 0.00 O ATOM 1278 CB VAL A 84 2.902 -3.371 -0.277 1.00 0.00 C ATOM 1279 CG1 VAL A 84 4.008 -3.735 -1.255 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.006 -2.284 -0.852 1.00 0.00 C ATOM 0 H VAL A 84 0.366 -4.460 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 84 2.748 -5.448 0.287 1.00 0.00 H new ATOM 0 HB VAL A 84 3.366 -2.985 0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.584 -2.843 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.665 -4.477 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.569 -4.147 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.609 -1.412 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.512 -2.657 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.254 -2.004 -0.114 1.00 0.00 H new ATOM 1290 N ARG A 85 1.862 -4.548 2.504 1.00 0.00 N ATOM 1291 CA ARG A 85 1.192 -4.306 3.776 1.00 0.00 C ATOM 1292 C ARG A 85 0.770 -2.845 3.898 1.00 0.00 C ATOM 1293 O ARG A 85 0.954 -2.054 2.973 1.00 0.00 O ATOM 1294 CB ARG A 85 2.110 -4.683 4.940 1.00 0.00 C ATOM 1295 CG ARG A 85 2.099 -6.167 5.268 1.00 0.00 C ATOM 1296 CD ARG A 85 3.399 -6.602 5.926 1.00 0.00 C ATOM 1297 NE ARG A 85 3.501 -8.055 6.029 1.00 0.00 N ATOM 1298 CZ ARG A 85 2.801 -8.781 6.893 1.00 0.00 C ATOM 1299 NH1 ARG A 85 1.952 -8.193 7.724 1.00 0.00 N ATOM 1300 NH2 ARG A 85 2.950 -10.100 6.926 1.00 0.00 N ATOM 0 H ARG A 85 2.815 -4.901 2.590 1.00 0.00 H new ATOM 0 HA ARG A 85 0.298 -4.928 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.129 -4.380 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.810 -4.122 5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.263 -6.388 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.942 -6.741 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.242 -6.219 5.351 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.466 -6.162 6.921 1.00 0.00 H new ATOM 0 HE ARG A 85 4.145 -8.539 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.835 -7.180 7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.416 -8.754 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.602 -10.556 6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.412 -10.658 7.590 1.00 0.00 H new ATOM 1314 N LYS A 86 0.204 -2.492 5.048 1.00 0.00 N ATOM 1315 CA LYS A 86 -0.243 -1.127 5.294 1.00 0.00 C ATOM 1316 C LYS A 86 0.879 -0.287 5.896 1.00 0.00 C ATOM 1317 O LYS A 86 0.755 0.931 6.022 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.454 -1.125 6.229 1.00 0.00 C ATOM 1319 CG LYS A 86 -1.148 -1.649 7.622 1.00 0.00 C ATOM 1320 CD LYS A 86 -2.035 -0.998 8.670 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.902 -1.688 10.019 1.00 0.00 C ATOM 1322 NZ LYS A 86 -0.586 -1.407 10.658 1.00 0.00 N ATOM 0 H LYS A 86 0.044 -3.134 5.824 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.529 -0.688 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.839 -0.108 6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.245 -1.732 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.290 -2.730 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.102 -1.460 7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.769 0.054 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.074 -1.034 8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.704 -1.355 10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.021 -2.764 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.534 -1.895 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.179 -1.747 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.483 -0.383 10.805 1.00 0.00 H new ATOM 1336 N GLU A 87 1.973 -0.946 6.265 1.00 0.00 N ATOM 1337 CA GLU A 87 3.116 -0.258 6.853 1.00 0.00 C ATOM 1338 C GLU A 87 3.801 0.637 5.824 1.00 0.00 C ATOM 1339 O GLU A 87 4.176 1.770 6.124 1.00 0.00 O ATOM 1340 CB GLU A 87 4.117 -1.272 7.411 1.00 0.00 C ATOM 1341 CG GLU A 87 3.543 -2.156 8.505 1.00 0.00 C ATOM 1342 CD GLU A 87 3.502 -1.464 9.853 1.00 0.00 C ATOM 1343 OE1 GLU A 87 4.013 -0.329 9.954 1.00 0.00 O ATOM 1344 OE2 GLU A 87 2.958 -2.057 10.808 1.00 0.00 O ATOM 0 H GLU A 87 2.092 -1.954 6.167 1.00 0.00 H new ATOM 0 HA GLU A 87 2.752 0.368 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.475 -1.902 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.982 -0.737 7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.534 -2.462 8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.141 -3.064 8.585 1.00 0.00 H new ATOM 1351 N TRP A 88 3.961 0.119 4.612 1.00 0.00 N ATOM 1352 CA TRP A 88 4.602 0.870 3.538 1.00 0.00 C ATOM 1353 C TRP A 88 4.240 2.349 3.618 1.00 0.00 C ATOM 1354 O TRP A 88 5.075 3.185 3.964 1.00 0.00 O ATOM 1355 CB TRP A 88 4.192 0.305 2.178 1.00 0.00 C ATOM 1356 CG TRP A 88 4.766 1.065 1.021 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.089 1.243 0.733 1.00 0.00 C ATOM 1358 CD2 TRP A 88 4.035 1.752 -0.001 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.225 1.998 -0.407 1.00 0.00 N ATOM 1360 CE2 TRP A 88 4.980 2.323 -0.876 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.675 1.939 -0.263 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.606 3.067 -1.992 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.306 2.678 -1.370 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.267 3.234 -2.224 1.00 0.00 C ATOM 0 H TRP A 88 3.656 -0.818 4.348 1.00 0.00 H new ATOM 0 HA TRP A 88 5.681 0.772 3.653 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.511 -0.735 2.114 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.105 0.310 2.103 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.908 0.848 1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.110 2.272 -0.835 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.926 1.513 0.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.346 3.497 -2.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.258 2.830 -1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 88 2.946 3.806 -3.082 1.00 0.00 H new ATOM 1375 N VAL A 89 2.990 2.666 3.296 1.00 0.00 N ATOM 1376 CA VAL A 89 2.517 4.045 3.332 1.00 0.00 C ATOM 1377 C VAL A 89 2.919 4.729 4.634 1.00 0.00 C ATOM 1378 O VAL A 89 3.713 5.670 4.635 1.00 0.00 O ATOM 1379 CB VAL A 89 0.987 4.118 3.177 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.315 3.013 3.977 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.473 5.485 3.605 1.00 0.00 C ATOM 0 H VAL A 89 2.286 1.986 3.007 1.00 0.00 H new ATOM 0 HA VAL A 89 2.984 4.562 2.494 1.00 0.00 H new ATOM 0 HB VAL A 89 0.739 3.974 2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.766 3.081 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.660 2.043 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.568 3.122 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.610 5.519 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.732 5.660 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.929 6.256 2.984 1.00 0.00 H new ATOM 1391 N LEU A 90 2.364 4.250 5.743 1.00 0.00 N ATOM 1392 CA LEU A 90 2.664 4.815 7.054 1.00 0.00 C ATOM 1393 C LEU A 90 4.118 5.271 7.130 1.00 0.00 C ATOM 1394 O LEU A 90 4.398 6.446 7.369 1.00 0.00 O ATOM 1395 CB LEU A 90 2.382 3.787 8.150 1.00 0.00 C ATOM 1396 CG LEU A 90 0.924 3.355 8.307 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.789 2.316 9.409 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.039 4.559 8.595 1.00 0.00 C ATOM 0 H LEU A 90 1.704 3.472 5.760 1.00 0.00 H new ATOM 0 HA LEU A 90 2.022 5.683 7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.983 2.900 7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.723 4.197 9.101 1.00 0.00 H new ATOM 0 HG LEU A 90 0.597 2.904 7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.256 2.021 9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.391 1.442 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.135 2.739 10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.995 4.233 8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.367 5.039 9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.111 5.269 7.771 1.00 0.00 H new ATOM 1410 N ASP A 91 5.038 4.335 6.925 1.00 0.00 N ATOM 1411 CA ASP A 91 6.463 4.642 6.967 1.00 0.00 C ATOM 1412 C ASP A 91 6.797 5.805 6.039 1.00 0.00 C ATOM 1413 O ASP A 91 7.559 6.702 6.401 1.00 0.00 O ATOM 1414 CB ASP A 91 7.283 3.411 6.577 1.00 0.00 C ATOM 1415 CG ASP A 91 8.707 3.477 7.091 1.00 0.00 C ATOM 1416 OD1 ASP A 91 8.998 4.365 7.920 1.00 0.00 O ATOM 1417 OD2 ASP A 91 9.532 2.643 6.663 1.00 0.00 O ATOM 0 H ASP A 91 4.823 3.358 6.728 1.00 0.00 H new ATOM 0 HA ASP A 91 6.717 4.931 7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.799 2.517 6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.296 3.316 5.491 1.00 0.00 H new ATOM 1422 N CYS A 92 6.222 5.783 4.841 1.00 0.00 N ATOM 1423 CA CYS A 92 6.460 6.836 3.860 1.00 0.00 C ATOM 1424 C CYS A 92 6.056 8.198 4.415 1.00 0.00 C ATOM 1425 O CYS A 92 6.785 9.169 4.217 1.00 0.00 O ATOM 1426 CB CYS A 92 5.686 6.546 2.573 1.00 0.00 C ATOM 1427 SG CYS A 92 6.178 5.016 1.745 1.00 0.00 S ATOM 0 H CYS A 92 5.588 5.048 4.526 1.00 0.00 H new ATOM 0 HA CYS A 92 7.527 6.857 3.637 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.622 6.495 2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.822 7.380 1.884 1.00 0.00 H new ATOM 0 HG CYS A 92 5.833 3.997 2.475 1.00 0.00 H new ATOM 1433 N HIS A 93 4.915 8.241 5.087 1.00 0.00 N ATOM 1434 CA HIS A 93 4.429 9.485 5.659 1.00 0.00 C ATOM 1435 C HIS A 93 5.299 9.872 6.857 1.00 0.00 C ATOM 1436 O HIS A 93 5.601 11.042 7.093 1.00 0.00 O ATOM 1437 CB HIS A 93 2.945 9.377 6.014 1.00 0.00 C ATOM 1438 CG HIS A 93 2.315 10.687 6.424 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.184 11.075 7.746 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.782 11.693 5.672 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.597 12.262 7.777 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.348 12.644 6.491 1.00 0.00 N ATOM 0 H HIS A 93 4.313 7.434 5.248 1.00 0.00 H new ATOM 0 HA HIS A 93 4.509 10.284 4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.405 8.979 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.827 8.659 6.826 1.00 0.00 H new ATOM 0 HD1 HIS A 93 2.488 10.538 8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.723 11.713 4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.357 12.828 8.665 1.00 0.00 H new ATOM 1450 N ARG A 94 5.697 8.855 7.614 1.00 0.00 N ATOM 1451 CA ARG A 94 6.530 9.061 8.793 1.00 0.00 C ATOM 1452 C ARG A 94 7.848 9.731 8.417 1.00 0.00 C ATOM 1453 O ARG A 94 8.222 10.753 8.993 1.00 0.00 O ATOM 1454 CB ARG A 94 6.804 7.726 9.489 1.00 0.00 C ATOM 1455 CG ARG A 94 7.189 7.870 10.952 1.00 0.00 C ATOM 1456 CD ARG A 94 5.978 8.173 11.820 1.00 0.00 C ATOM 1457 NE ARG A 94 6.226 7.878 13.229 1.00 0.00 N ATOM 1458 CZ ARG A 94 6.146 6.659 13.750 1.00 0.00 C ATOM 1459 NH1 ARG A 94 5.827 5.626 12.983 1.00 0.00 N ATOM 1460 NH2 ARG A 94 6.387 6.472 15.041 1.00 0.00 N ATOM 0 H ARG A 94 5.456 7.881 7.432 1.00 0.00 H new ATOM 0 HA ARG A 94 5.992 9.716 9.478 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.916 7.099 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.604 7.208 8.961 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.664 6.951 11.296 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.924 8.668 11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.708 9.224 11.712 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.127 7.588 11.472 1.00 0.00 H new ATOM 0 HE ARG A 94 6.474 8.651 13.847 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.642 5.766 11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.766 4.691 13.386 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.634 7.265 15.634 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.325 5.536 15.441 1.00 0.00 H new ATOM 1474 N MET A 95 8.547 9.149 7.449 1.00 0.00 N ATOM 1475 CA MET A 95 9.823 9.690 6.997 1.00 0.00 C ATOM 1476 C MET A 95 9.618 10.689 5.862 1.00 0.00 C ATOM 1477 O MET A 95 10.570 11.312 5.391 1.00 0.00 O ATOM 1478 CB MET A 95 10.747 8.561 6.537 1.00 0.00 C ATOM 1479 CG MET A 95 11.115 7.588 7.645 1.00 0.00 C ATOM 1480 SD MET A 95 12.583 6.616 7.257 1.00 0.00 S ATOM 1481 CE MET A 95 11.845 5.036 6.848 1.00 0.00 C ATOM 0 H MET A 95 8.251 8.303 6.962 1.00 0.00 H new ATOM 0 HA MET A 95 10.286 10.209 7.836 1.00 0.00 H new ATOM 0 HB2 MET A 95 10.263 8.013 5.729 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.659 8.994 6.127 1.00 0.00 H new ATOM 0 HG2 MET A 95 11.285 8.142 8.568 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.276 6.916 7.826 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.459 4.529 6.104 1.00 0.00 H new ATOM 0 HE2 MET A 95 11.781 4.421 7.746 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.845 5.195 6.445 1.00 0.00 H new ATOM 1491 N ARG A 96 8.371 10.835 5.426 1.00 0.00 N ATOM 1492 CA ARG A 96 8.042 11.757 4.346 1.00 0.00 C ATOM 1493 C ARG A 96 9.014 11.597 3.180 1.00 0.00 C ATOM 1494 O ARG A 96 9.498 12.583 2.623 1.00 0.00 O ATOM 1495 CB ARG A 96 8.069 13.200 4.852 1.00 0.00 C ATOM 1496 CG ARG A 96 7.286 13.409 6.138 1.00 0.00 C ATOM 1497 CD ARG A 96 7.318 14.864 6.579 1.00 0.00 C ATOM 1498 NE ARG A 96 6.157 15.214 7.393 1.00 0.00 N ATOM 1499 CZ ARG A 96 5.879 16.454 7.782 1.00 0.00 C ATOM 1500 NH1 ARG A 96 6.674 17.456 7.432 1.00 0.00 N ATOM 1501 NH2 ARG A 96 4.804 16.693 8.521 1.00 0.00 N ATOM 0 H ARG A 96 7.572 10.326 5.804 1.00 0.00 H new ATOM 0 HA ARG A 96 7.037 11.522 3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.104 13.500 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.665 13.855 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.253 13.095 5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.702 12.780 6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.229 15.051 7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.353 15.509 5.701 1.00 0.00 H new ATOM 0 HE ARG A 96 5.525 14.466 7.679 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.501 17.276 6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.458 18.407 7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.190 15.925 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.591 17.645 8.819 1.00 0.00 H new ATOM 1515 N ARG A 97 9.296 10.350 2.818 1.00 0.00 N ATOM 1516 CA ARG A 97 10.212 10.061 1.721 1.00 0.00 C ATOM 1517 C ARG A 97 9.797 8.789 0.987 1.00 0.00 C ATOM 1518 O ARG A 97 9.113 7.933 1.548 1.00 0.00 O ATOM 1519 CB ARG A 97 11.641 9.917 2.246 1.00 0.00 C ATOM 1520 CG ARG A 97 11.842 8.705 3.141 1.00 0.00 C ATOM 1521 CD ARG A 97 13.288 8.234 3.125 1.00 0.00 C ATOM 1522 NE ARG A 97 13.578 7.400 1.962 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.763 6.844 1.734 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.762 7.032 2.584 1.00 0.00 N ATOM 1525 NH2 ARG A 97 14.950 6.097 0.653 1.00 0.00 N ATOM 0 H ARG A 97 8.903 9.523 3.268 1.00 0.00 H new ATOM 0 HA ARG A 97 10.173 10.894 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.325 9.851 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.907 10.816 2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.550 8.953 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.191 7.896 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.951 9.099 3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.497 7.672 4.035 1.00 0.00 H new ATOM 0 HE ARG A 97 12.830 7.235 1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 97 15.623 7.605 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.670 6.604 2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.184 5.949 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.860 5.671 0.479 1.00 0.00 H new ATOM 1539 N ARG A 98 10.215 8.674 -0.269 1.00 0.00 N ATOM 1540 CA ARG A 98 9.886 7.508 -1.080 1.00 0.00 C ATOM 1541 C ARG A 98 10.620 6.269 -0.574 1.00 0.00 C ATOM 1542 O ARG A 98 11.846 6.184 -0.654 1.00 0.00 O ATOM 1543 CB ARG A 98 10.243 7.762 -2.545 1.00 0.00 C ATOM 1544 CG ARG A 98 9.334 7.041 -3.527 1.00 0.00 C ATOM 1545 CD ARG A 98 9.192 7.817 -4.827 1.00 0.00 C ATOM 1546 NE ARG A 98 10.198 7.428 -5.811 1.00 0.00 N ATOM 1547 CZ ARG A 98 10.378 8.056 -6.967 1.00 0.00 C ATOM 1548 NH1 ARG A 98 9.623 9.099 -7.283 1.00 0.00 N ATOM 1549 NH2 ARG A 98 11.315 7.642 -7.810 1.00 0.00 N ATOM 0 H ARG A 98 10.782 9.374 -0.747 1.00 0.00 H new ATOM 0 HA ARG A 98 8.813 7.332 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.198 8.833 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.273 7.449 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.736 6.049 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.351 6.899 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.197 7.651 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.279 8.884 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 98 10.796 6.629 -5.599 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.902 9.421 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.763 9.580 -8.172 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.898 6.840 -7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.452 8.125 -8.698 1.00 0.00 H new ATOM 1563 N LEU A 99 9.862 5.311 -0.052 1.00 0.00 N ATOM 1564 CA LEU A 99 10.439 4.076 0.468 1.00 0.00 C ATOM 1565 C LEU A 99 10.194 2.915 -0.490 1.00 0.00 C ATOM 1566 O LEU A 99 9.200 2.876 -1.215 1.00 0.00 O ATOM 1567 CB LEU A 99 9.849 3.753 1.842 1.00 0.00 C ATOM 1568 CG LEU A 99 9.991 4.841 2.907 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.225 4.460 4.164 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.458 5.085 3.227 1.00 0.00 C ATOM 0 H LEU A 99 8.846 5.366 0.022 1.00 0.00 H new ATOM 0 HA LEU A 99 11.515 4.220 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.789 3.531 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.323 2.845 2.214 1.00 0.00 H new ATOM 0 HG LEU A 99 9.567 5.765 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.337 5.246 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.169 4.337 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.619 3.524 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.540 5.862 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.907 4.164 3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.979 5.403 2.324 1.00 0.00 H new ATOM 1582 N PRO A 100 11.120 1.944 -0.492 1.00 0.00 N ATOM 1583 CA PRO A 100 11.025 0.762 -1.354 1.00 0.00 C ATOM 1584 C PRO A 100 9.901 -0.176 -0.929 1.00 0.00 C ATOM 1585 O PRO A 100 9.883 -0.669 0.198 1.00 0.00 O ATOM 1586 CB PRO A 100 12.385 0.083 -1.175 1.00 0.00 C ATOM 1587 CG PRO A 100 12.858 0.529 0.165 1.00 0.00 C ATOM 1588 CD PRO A 100 12.330 1.925 0.347 1.00 0.00 C ATOM 0 HA PRO A 100 10.798 1.027 -2.387 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.295 -1.002 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.082 0.379 -1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.490 -0.133 0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.947 0.513 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.098 2.134 1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.054 2.674 0.025 1.00 0.00 H new ATOM 1596 N SER A 101 8.963 -0.419 -1.840 1.00 0.00 N ATOM 1597 CA SER A 101 7.833 -1.296 -1.558 1.00 0.00 C ATOM 1598 C SER A 101 8.235 -2.762 -1.694 1.00 0.00 C ATOM 1599 O SER A 101 7.499 -3.659 -1.285 1.00 0.00 O ATOM 1600 CB SER A 101 6.671 -0.985 -2.503 1.00 0.00 C ATOM 1601 OG SER A 101 7.028 -1.236 -3.851 1.00 0.00 O ATOM 0 H SER A 101 8.964 -0.021 -2.779 1.00 0.00 H new ATOM 0 HA SER A 101 7.515 -1.118 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.807 -1.592 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.376 0.058 -2.390 1.00 0.00 H new ATOM 0 HG SER A 101 6.268 -1.031 -4.434 1.00 0.00 H new ATOM 1607 N GLN A 102 9.409 -2.995 -2.271 1.00 0.00 N ATOM 1608 CA GLN A 102 9.910 -4.351 -2.462 1.00 0.00 C ATOM 1609 C GLN A 102 10.148 -5.038 -1.121 1.00 0.00 C ATOM 1610 O GLN A 102 10.066 -6.262 -1.016 1.00 0.00 O ATOM 1611 CB GLN A 102 11.206 -4.330 -3.275 1.00 0.00 C ATOM 1612 CG GLN A 102 10.988 -4.105 -4.763 1.00 0.00 C ATOM 1613 CD GLN A 102 12.249 -4.319 -5.576 1.00 0.00 C ATOM 1614 OE1 GLN A 102 13.053 -5.201 -5.276 1.00 0.00 O ATOM 1615 NE2 GLN A 102 12.428 -3.510 -6.614 1.00 0.00 N ATOM 0 H GLN A 102 10.031 -2.263 -2.614 1.00 0.00 H new ATOM 0 HA GLN A 102 9.155 -4.915 -3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.855 -3.544 -2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.730 -5.275 -3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.211 -4.782 -5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.624 -3.090 -4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.735 -2.792 -6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.258 -3.607 -7.199 1.00 0.00 H new ATOM 1624 N ARG A 103 10.444 -4.242 -0.099 1.00 0.00 N ATOM 1625 CA ARG A 103 10.695 -4.773 1.235 1.00 0.00 C ATOM 1626 C ARG A 103 9.385 -5.031 1.974 1.00 0.00 C ATOM 1627 O ARG A 103 9.351 -5.769 2.958 1.00 0.00 O ATOM 1628 CB ARG A 103 11.563 -3.803 2.038 1.00 0.00 C ATOM 1629 CG ARG A 103 13.045 -3.896 1.709 1.00 0.00 C ATOM 1630 CD ARG A 103 13.877 -3.022 2.635 1.00 0.00 C ATOM 1631 NE ARG A 103 15.295 -3.364 2.582 1.00 0.00 N ATOM 1632 CZ ARG A 103 16.126 -2.912 1.649 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.682 -2.103 0.697 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.404 -3.268 1.668 1.00 0.00 N ATOM 0 H ARG A 103 10.516 -3.227 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 103 11.224 -5.720 1.128 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.222 -2.785 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.423 -3.998 3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.373 -4.932 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.209 -3.592 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.746 -1.975 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.516 -3.131 3.658 1.00 0.00 H new ATOM 0 HE ARG A 103 15.668 -3.984 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.700 -1.826 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.322 -1.757 -0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.750 -3.889 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.041 -2.920 0.951 1.00 0.00 H new ATOM 1648 N TYR A 104 8.310 -4.416 1.492 1.00 0.00 N ATOM 1649 CA TYR A 104 6.998 -4.577 2.108 1.00 0.00 C ATOM 1650 C TYR A 104 6.155 -5.588 1.338 1.00 0.00 C ATOM 1651 O TYR A 104 4.989 -5.819 1.664 1.00 0.00 O ATOM 1652 CB TYR A 104 6.273 -3.232 2.169 1.00 0.00 C ATOM 1653 CG TYR A 104 6.966 -2.208 3.039 1.00 0.00 C ATOM 1654 CD1 TYR A 104 6.690 -2.120 4.398 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.899 -1.329 2.503 1.00 0.00 C ATOM 1656 CE1 TYR A 104 7.321 -1.186 5.196 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.537 -0.393 3.294 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.244 -0.325 4.640 1.00 0.00 C ATOM 1659 OH TYR A 104 8.875 0.606 5.432 1.00 0.00 O ATOM 0 H TYR A 104 8.321 -3.802 0.677 1.00 0.00 H new ATOM 0 HA TYR A 104 7.143 -4.951 3.122 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.179 -2.834 1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.262 -3.391 2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.970 -2.794 4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 104 8.130 -1.378 1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.093 -1.130 6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.261 0.281 2.861 1.00 0.00 H new ATOM 0 HH TYR A 104 8.551 1.503 5.204 1.00 0.00 H new ATOM 1669 N LEU A 105 6.752 -6.189 0.315 1.00 0.00 N ATOM 1670 CA LEU A 105 6.057 -7.178 -0.503 1.00 0.00 C ATOM 1671 C LEU A 105 5.395 -8.239 0.371 1.00 0.00 C ATOM 1672 O LEU A 105 6.024 -8.799 1.267 1.00 0.00 O ATOM 1673 CB LEU A 105 7.034 -7.839 -1.477 1.00 0.00 C ATOM 1674 CG LEU A 105 7.218 -7.138 -2.823 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.359 -7.772 -3.603 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.928 -7.184 -3.629 1.00 0.00 C ATOM 0 H LEU A 105 7.715 -6.009 0.032 1.00 0.00 H new ATOM 0 HA LEU A 105 5.280 -6.665 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.007 -7.911 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.695 -8.858 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 105 7.469 -6.094 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.475 -7.260 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.283 -7.686 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.138 -8.825 -3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.078 -6.680 -4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.647 -8.222 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.135 -6.683 -3.075 1.00 0.00 H new ATOM 1688 N MET A 106 4.122 -8.510 0.100 1.00 0.00 N ATOM 1689 CA MET A 106 3.376 -9.507 0.859 1.00 0.00 C ATOM 1690 C MET A 106 3.559 -10.897 0.259 1.00 0.00 C ATOM 1691 O MET A 106 3.984 -11.827 0.943 1.00 0.00 O ATOM 1692 CB MET A 106 1.890 -9.145 0.893 1.00 0.00 C ATOM 1693 CG MET A 106 1.506 -8.262 2.070 1.00 0.00 C ATOM 1694 SD MET A 106 1.191 -9.207 3.573 1.00 0.00 S ATOM 1695 CE MET A 106 -0.451 -8.633 3.996 1.00 0.00 C ATOM 0 H MET A 106 3.586 -8.054 -0.638 1.00 0.00 H new ATOM 0 HA MET A 106 3.764 -9.517 1.878 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.627 -8.635 -0.034 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.302 -10.062 0.930 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.305 -7.545 2.257 1.00 0.00 H new ATOM 0 HG3 MET A 106 0.616 -7.688 1.813 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.687 -8.927 5.019 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.490 -7.547 3.912 1.00 0.00 H new ATOM 0 HE3 MET A 106 -1.178 -9.075 3.315 1.00 0.00 H new