USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 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 72 LYS NZ :NH3+ -128:sc= -0.213 (180deg=-1.53!) USER MOD Set 1.2: A 75 GLN : amide:sc= 0 K(o=-0.21,f=-1.5) USER MOD Set 2.1: A 65 CYS SG : rot 180:sc= -0.433 USER MOD Set 2.2: A 70 THR OG1 : rot -105:sc= 0.36 USER MOD Set 2.3: A 106 MET CE :methyl -170:sc= 0 (180deg=0) USER MOD Set 3.1: A 61 THR OG1 : rot 69:sc= 1.41 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -2.03 K(o=-4.7,f=-15!) USER MOD Set 3.3: A 101 SER OG : rot 140:sc= -4.06! USER MOD Set 4.1: A 57 THR OG1 : rot -11:sc= 0.704 USER MOD Set 4.2: A 60 SER OG : rot -70:sc= 1.54 USER MOD Set 5.1: A 44 LYS NZ :NH3+ 150:sc= 0.574 (180deg=0) USER MOD Set 5.2: A 93 HIS : no HD1:sc= -1.14 K(o=-0.56,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ 142:sc= -0.322 (180deg=-1.65!) USER MOD Single : A 24 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.62) USER MOD Single : A 31 SER OG : rot 120:sc= -0.288 USER MOD Single : A 34 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.2) USER MOD Single : A 35 ASN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= 0.488 (180deg=0.106) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.157 X(o=-0.16,f=0) 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 86 LYS NZ :NH3+ -164:sc= -0.0307 (180deg=-0.241) USER MOD Single : A 92 CYS SG : rot 106:sc= 0.242 USER MOD Single : A 95 MET CE :methyl 154:sc= -0.0282 (180deg=-0.799) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot -39:sc= 0.234 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.589 18.127 -0.039 1.00 0.00 N ATOM 228 CA GLU A 18 6.750 17.283 0.218 1.00 0.00 C ATOM 229 C GLU A 18 6.384 15.806 0.102 1.00 0.00 C ATOM 230 O GLU A 18 7.183 14.990 -0.358 1.00 0.00 O ATOM 231 CB GLU A 18 7.321 17.571 1.607 1.00 0.00 C ATOM 232 CG GLU A 18 8.745 17.075 1.795 1.00 0.00 C ATOM 233 CD GLU A 18 9.775 18.026 1.220 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.699 19.236 1.519 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.658 17.561 0.469 1.00 0.00 O ATOM 0 HA GLU A 18 7.507 17.512 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.293 18.646 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.681 17.106 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.939 16.935 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.852 16.100 1.320 1.00 0.00 H new ATOM 242 N LEU A 19 5.170 15.469 0.525 1.00 0.00 N ATOM 243 CA LEU A 19 4.696 14.090 0.470 1.00 0.00 C ATOM 244 C LEU A 19 4.180 13.746 -0.923 1.00 0.00 C ATOM 245 O LEU A 19 4.372 12.634 -1.411 1.00 0.00 O ATOM 246 CB LEU A 19 3.592 13.868 1.505 1.00 0.00 C ATOM 247 CG LEU A 19 4.029 13.900 2.970 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.005 15.325 3.502 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.138 12.999 3.812 1.00 0.00 C ATOM 0 H LEU A 19 4.496 16.131 0.910 1.00 0.00 H new ATOM 0 HA LEU A 19 5.536 13.434 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.826 14.629 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.125 12.903 1.307 1.00 0.00 H new ATOM 0 HG LEU A 19 5.051 13.527 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.319 15.329 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.685 15.944 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.994 15.725 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.464 13.034 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.105 13.342 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.206 11.975 3.445 1.00 0.00 H new ATOM 261 N GLY A 20 3.523 14.712 -1.560 1.00 0.00 N ATOM 262 CA GLY A 20 2.991 14.493 -2.893 1.00 0.00 C ATOM 263 C GLY A 20 4.057 14.061 -3.879 1.00 0.00 C ATOM 264 O GLY A 20 3.763 13.396 -4.873 1.00 0.00 O ATOM 0 H GLY A 20 3.350 15.641 -1.177 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.211 13.732 -2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.522 15.410 -3.249 1.00 0.00 H new ATOM 268 N LYS A 21 5.301 14.441 -3.608 1.00 0.00 N ATOM 269 CA LYS A 21 6.417 14.089 -4.479 1.00 0.00 C ATOM 270 C LYS A 21 6.952 12.701 -4.144 1.00 0.00 C ATOM 271 O LYS A 21 7.952 12.258 -4.710 1.00 0.00 O ATOM 272 CB LYS A 21 7.537 15.124 -4.350 1.00 0.00 C ATOM 273 CG LYS A 21 7.206 16.462 -4.988 1.00 0.00 C ATOM 274 CD LYS A 21 7.272 16.387 -6.504 1.00 0.00 C ATOM 275 CE LYS A 21 8.686 16.622 -7.013 1.00 0.00 C ATOM 276 NZ LYS A 21 9.485 15.366 -7.031 1.00 0.00 N ATOM 0 H LYS A 21 5.562 14.993 -2.791 1.00 0.00 H new ATOM 0 HA LYS A 21 6.055 14.081 -5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.757 15.279 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.442 14.726 -4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.208 16.776 -4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.903 17.220 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.922 15.410 -6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.601 17.129 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.645 17.041 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.182 17.359 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.094 15.354 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.076 15.318 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.844 14.547 -7.055 1.00 0.00 H new ATOM 290 N ILE A 22 6.280 12.018 -3.223 1.00 0.00 N ATOM 291 CA ILE A 22 6.687 10.679 -2.817 1.00 0.00 C ATOM 292 C ILE A 22 5.976 9.614 -3.643 1.00 0.00 C ATOM 293 O ILE A 22 6.616 8.797 -4.306 1.00 0.00 O ATOM 294 CB ILE A 22 6.399 10.432 -1.324 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.076 11.504 -0.467 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.870 9.044 -0.916 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.900 11.289 1.020 1.00 0.00 C ATOM 0 H ILE A 22 5.451 12.370 -2.744 1.00 0.00 H new ATOM 0 HA ILE A 22 7.761 10.610 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 22 5.323 10.491 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.141 11.525 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.672 12.480 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.660 8.885 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.346 8.293 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.943 8.958 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.406 12.086 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.838 11.298 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.329 10.328 1.302 1.00 0.00 H new ATOM 309 N LEU A 23 4.648 9.628 -3.601 1.00 0.00 N ATOM 310 CA LEU A 23 3.848 8.664 -4.348 1.00 0.00 C ATOM 311 C LEU A 23 3.151 9.333 -5.528 1.00 0.00 C ATOM 312 O LEU A 23 2.035 8.963 -5.892 1.00 0.00 O ATOM 313 CB LEU A 23 2.812 8.012 -3.431 1.00 0.00 C ATOM 314 CG LEU A 23 3.360 7.059 -2.368 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.223 6.390 -1.613 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.267 6.016 -3.005 1.00 0.00 C ATOM 0 H LEU A 23 4.103 10.297 -3.057 1.00 0.00 H new ATOM 0 HA LEU A 23 4.517 7.895 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.253 8.802 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.102 7.464 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 23 3.949 7.638 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.633 5.716 -0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.613 7.150 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.606 5.824 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.648 5.346 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.701 5.441 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.102 6.513 -3.499 1.00 0.00 H new ATOM 328 N GLN A 24 3.817 10.317 -6.122 1.00 0.00 N ATOM 329 CA GLN A 24 3.261 11.037 -7.262 1.00 0.00 C ATOM 330 C GLN A 24 2.970 10.084 -8.417 1.00 0.00 C ATOM 331 O GLN A 24 3.885 9.545 -9.037 1.00 0.00 O ATOM 332 CB GLN A 24 4.225 12.132 -7.721 1.00 0.00 C ATOM 333 CG GLN A 24 3.731 12.912 -8.928 1.00 0.00 C ATOM 334 CD GLN A 24 2.263 13.279 -8.825 1.00 0.00 C ATOM 335 OE1 GLN A 24 1.412 12.669 -9.473 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.959 14.279 -8.007 1.00 0.00 N ATOM 0 H GLN A 24 4.742 10.634 -5.833 1.00 0.00 H new ATOM 0 HA GLN A 24 2.324 11.496 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.394 12.824 -6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.188 11.680 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.322 13.821 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.891 12.320 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.697 14.757 -7.489 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.988 14.570 -7.896 1.00 0.00 H new ATOM 345 N GLY A 25 1.686 9.880 -8.700 1.00 0.00 N ATOM 346 CA GLY A 25 1.297 8.992 -9.780 1.00 0.00 C ATOM 347 C GLY A 25 1.096 7.564 -9.312 1.00 0.00 C ATOM 348 O GLY A 25 1.351 6.617 -10.056 1.00 0.00 O ATOM 0 H GLY A 25 0.909 10.314 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.374 9.356 -10.232 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.062 9.012 -10.557 1.00 0.00 H new ATOM 352 N VAL A 26 0.638 7.408 -8.074 1.00 0.00 N ATOM 353 CA VAL A 26 0.403 6.085 -7.506 1.00 0.00 C ATOM 354 C VAL A 26 -1.055 5.915 -7.095 1.00 0.00 C ATOM 355 O VAL A 26 -1.731 6.884 -6.749 1.00 0.00 O ATOM 356 CB VAL A 26 1.304 5.831 -6.283 1.00 0.00 C ATOM 357 CG1 VAL A 26 0.996 4.475 -5.666 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.771 5.928 -6.673 1.00 0.00 C ATOM 0 H VAL A 26 0.422 8.181 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 26 0.645 5.359 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 26 1.099 6.598 -5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.642 4.313 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.047 4.448 -5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.171 3.692 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.393 5.746 -5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.994 5.184 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.978 6.924 -7.064 1.00 0.00 H new ATOM 368 N VAL A 27 -1.534 4.675 -7.133 1.00 0.00 N ATOM 369 CA VAL A 27 -2.912 4.377 -6.762 1.00 0.00 C ATOM 370 C VAL A 27 -2.972 3.259 -5.726 1.00 0.00 C ATOM 371 O VAL A 27 -2.558 2.130 -5.990 1.00 0.00 O ATOM 372 CB VAL A 27 -3.748 3.969 -7.989 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.227 3.923 -7.637 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.497 4.926 -9.145 1.00 0.00 C ATOM 0 H VAL A 27 -0.988 3.861 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.329 5.289 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.442 2.970 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.802 3.633 -8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.389 3.196 -6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.552 4.908 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.095 4.623 -10.004 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.775 5.937 -8.847 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.441 4.904 -9.413 1.00 0.00 H new ATOM 384 N VAL A 28 -3.492 3.581 -4.546 1.00 0.00 N ATOM 385 CA VAL A 28 -3.608 2.604 -3.470 1.00 0.00 C ATOM 386 C VAL A 28 -5.067 2.250 -3.205 1.00 0.00 C ATOM 387 O VAL A 28 -5.969 3.045 -3.471 1.00 0.00 O ATOM 388 CB VAL A 28 -2.974 3.126 -2.167 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.477 3.326 -2.344 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.645 4.420 -1.729 1.00 0.00 C ATOM 0 H VAL A 28 -3.840 4.511 -4.311 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.073 1.711 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.127 2.382 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.047 3.695 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.012 2.376 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.298 4.050 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.185 4.775 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.525 5.174 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.706 4.240 -1.559 1.00 0.00 H new ATOM 400 N VAL A 29 -5.293 1.050 -2.679 1.00 0.00 N ATOM 401 CA VAL A 29 -6.643 0.589 -2.377 1.00 0.00 C ATOM 402 C VAL A 29 -6.739 0.071 -0.946 1.00 0.00 C ATOM 403 O VAL A 29 -6.017 -0.848 -0.557 1.00 0.00 O ATOM 404 CB VAL A 29 -7.086 -0.523 -3.345 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.472 -1.031 -2.977 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.058 -0.022 -4.781 1.00 0.00 C ATOM 0 H VAL A 29 -4.558 0.380 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.305 1.447 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.386 -1.354 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.768 -1.816 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.456 -1.431 -1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.187 -0.210 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.374 -0.821 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.735 0.826 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.045 0.288 -5.038 1.00 0.00 H new ATOM 416 N LEU A 30 -7.636 0.665 -0.167 1.00 0.00 N ATOM 417 CA LEU A 30 -7.828 0.263 1.222 1.00 0.00 C ATOM 418 C LEU A 30 -8.735 -0.960 1.315 1.00 0.00 C ATOM 419 O LEU A 30 -9.866 -0.944 0.830 1.00 0.00 O ATOM 420 CB LEU A 30 -8.425 1.417 2.030 1.00 0.00 C ATOM 421 CG LEU A 30 -7.539 2.654 2.188 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.328 3.799 2.803 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.318 2.330 3.036 1.00 0.00 C ATOM 0 H LEU A 30 -8.242 1.426 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.854 0.003 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.358 1.721 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.678 1.046 3.023 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.199 2.963 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.682 4.671 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.171 4.048 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.697 3.501 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.699 3.221 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.639 1.996 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.741 1.540 2.556 1.00 0.00 H new ATOM 435 N SER A 31 -8.231 -2.018 1.943 1.00 0.00 N ATOM 436 CA SER A 31 -8.995 -3.250 2.098 1.00 0.00 C ATOM 437 C SER A 31 -8.762 -3.864 3.475 1.00 0.00 C ATOM 438 O SER A 31 -7.625 -3.989 3.927 1.00 0.00 O ATOM 439 CB SER A 31 -8.612 -4.253 1.008 1.00 0.00 C ATOM 440 OG SER A 31 -9.427 -4.094 -0.140 1.00 0.00 O ATOM 0 H SER A 31 -7.297 -2.046 2.352 1.00 0.00 H new ATOM 0 HA SER A 31 -10.053 -3.007 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.565 -4.118 0.736 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.713 -5.268 1.392 1.00 0.00 H new ATOM 0 HG SER A 31 -8.865 -3.875 -0.912 1.00 0.00 H new ATOM 446 N GLY A 32 -9.850 -4.246 4.138 1.00 0.00 N ATOM 447 CA GLY A 32 -9.744 -4.842 5.457 1.00 0.00 C ATOM 448 C GLY A 32 -9.426 -3.821 6.531 1.00 0.00 C ATOM 449 O GLY A 32 -8.764 -4.135 7.520 1.00 0.00 O ATOM 0 H GLY A 32 -10.802 -4.153 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.681 -5.343 5.702 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.967 -5.606 5.445 1.00 0.00 H new ATOM 453 N PHE A 33 -9.898 -2.594 6.336 1.00 0.00 N ATOM 454 CA PHE A 33 -9.658 -1.522 7.295 1.00 0.00 C ATOM 455 C PHE A 33 -10.956 -1.105 7.981 1.00 0.00 C ATOM 456 O PHE A 33 -12.048 -1.382 7.485 1.00 0.00 O ATOM 457 CB PHE A 33 -9.027 -0.316 6.597 1.00 0.00 C ATOM 458 CG PHE A 33 -7.595 -0.535 6.199 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.604 -0.642 7.161 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.241 -0.633 4.863 1.00 0.00 C ATOM 461 CE1 PHE A 33 -5.285 -0.844 6.799 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.924 -0.836 4.495 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.945 -0.940 5.463 1.00 0.00 C ATOM 0 H PHE A 33 -10.449 -2.318 5.523 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.970 -1.895 8.054 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.610 -0.075 5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.084 0.548 7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.865 -0.567 8.206 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.002 -0.550 4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.522 -0.927 7.559 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.661 -0.913 3.450 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.915 -1.096 5.177 1.00 0.00 H new ATOM 473 N GLN A 34 -10.827 -0.438 9.123 1.00 0.00 N ATOM 474 CA GLN A 34 -11.990 0.016 9.878 1.00 0.00 C ATOM 475 C GLN A 34 -11.720 1.366 10.533 1.00 0.00 C ATOM 476 O GLN A 34 -10.685 1.563 11.168 1.00 0.00 O ATOM 477 CB GLN A 34 -12.367 -1.015 10.943 1.00 0.00 C ATOM 478 CG GLN A 34 -13.484 -0.555 11.865 1.00 0.00 C ATOM 479 CD GLN A 34 -14.862 -0.876 11.319 1.00 0.00 C ATOM 480 OE1 GLN A 34 -15.007 -1.261 10.159 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.882 -0.717 12.154 1.00 0.00 N ATOM 0 H GLN A 34 -9.930 -0.200 9.546 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.822 0.130 9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.670 -1.939 10.451 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.486 -1.247 11.541 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.364 -1.029 12.839 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.401 0.521 12.021 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -15.715 -0.396 13.108 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.832 -0.916 11.842 1.00 0.00 H new ATOM 490 N ASN A 35 -12.658 2.294 10.373 1.00 0.00 N ATOM 491 CA ASN A 35 -12.521 3.627 10.949 1.00 0.00 C ATOM 492 C ASN A 35 -12.448 3.557 12.471 1.00 0.00 C ATOM 493 O ASN A 35 -12.950 2.625 13.099 1.00 0.00 O ATOM 494 CB ASN A 35 -13.694 4.512 10.523 1.00 0.00 C ATOM 495 CG ASN A 35 -14.850 4.450 11.502 1.00 0.00 C ATOM 496 OD1 ASN A 35 -15.288 5.473 12.029 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.351 3.245 11.751 1.00 0.00 N ATOM 0 H ASN A 35 -13.521 2.148 9.849 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.593 4.062 10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.353 5.543 10.432 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.040 4.203 9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.130 3.141 12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.957 2.424 11.292 1.00 0.00 H new ATOM 504 N PRO A 36 -11.808 4.567 13.080 1.00 0.00 N ATOM 505 CA PRO A 36 -11.206 5.681 12.342 1.00 0.00 C ATOM 506 C PRO A 36 -9.978 5.254 11.546 1.00 0.00 C ATOM 507 O PRO A 36 -9.684 5.814 10.490 1.00 0.00 O ATOM 508 CB PRO A 36 -10.812 6.665 13.447 1.00 0.00 C ATOM 509 CG PRO A 36 -10.631 5.820 14.660 1.00 0.00 C ATOM 510 CD PRO A 36 -11.623 4.698 14.535 1.00 0.00 C ATOM 0 HA PRO A 36 -11.891 6.098 11.604 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.895 7.197 13.195 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.585 7.418 13.601 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.613 5.436 14.719 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -10.807 6.397 15.568 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.245 3.776 14.977 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.560 4.932 15.040 1.00 0.00 H new ATOM 518 N PHE A 37 -9.264 4.257 12.059 1.00 0.00 N ATOM 519 CA PHE A 37 -8.067 3.755 11.395 1.00 0.00 C ATOM 520 C PHE A 37 -8.217 3.821 9.878 1.00 0.00 C ATOM 521 O PHE A 37 -7.426 4.470 9.194 1.00 0.00 O ATOM 522 CB PHE A 37 -7.784 2.314 11.829 1.00 0.00 C ATOM 523 CG PHE A 37 -6.403 1.842 11.475 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.290 2.587 11.828 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.218 0.652 10.789 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.018 2.155 11.502 1.00 0.00 C ATOM 527 CE2 PHE A 37 -4.949 0.214 10.462 1.00 0.00 C ATOM 528 CZ PHE A 37 -3.847 0.967 10.820 1.00 0.00 C ATOM 0 H PHE A 37 -9.494 3.781 12.932 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.228 4.387 11.687 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.921 2.234 12.907 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.516 1.653 11.365 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.417 3.516 12.364 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.076 0.060 10.507 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.158 2.747 11.781 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.819 -0.715 9.927 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.854 0.627 10.567 1.00 0.00 H new ATOM 538 N ARG A 38 -9.237 3.145 9.361 1.00 0.00 N ATOM 539 CA ARG A 38 -9.491 3.126 7.925 1.00 0.00 C ATOM 540 C ARG A 38 -9.385 4.529 7.335 1.00 0.00 C ATOM 541 O ARG A 38 -8.706 4.741 6.331 1.00 0.00 O ATOM 542 CB ARG A 38 -10.876 2.543 7.638 1.00 0.00 C ATOM 543 CG ARG A 38 -11.310 2.688 6.189 1.00 0.00 C ATOM 544 CD ARG A 38 -12.674 2.060 5.950 1.00 0.00 C ATOM 545 NE ARG A 38 -12.570 0.650 5.582 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.560 -0.038 5.025 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.721 0.550 4.773 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.389 -1.318 4.719 1.00 0.00 N ATOM 0 H ARG A 38 -9.901 2.603 9.914 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.735 2.496 7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.878 1.486 7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.608 3.035 8.279 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.343 3.744 5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.573 2.218 5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.280 2.156 6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.190 2.604 5.159 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.689 0.168 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.856 1.534 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.479 0.019 4.345 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.497 -1.774 4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.150 -1.846 4.291 1.00 0.00 H new ATOM 562 N SER A 39 -10.063 5.483 7.966 1.00 0.00 N ATOM 563 CA SER A 39 -10.049 6.865 7.501 1.00 0.00 C ATOM 564 C SER A 39 -8.645 7.456 7.595 1.00 0.00 C ATOM 565 O SER A 39 -8.084 7.909 6.598 1.00 0.00 O ATOM 566 CB SER A 39 -11.026 7.710 8.320 1.00 0.00 C ATOM 567 OG SER A 39 -11.037 9.055 7.871 1.00 0.00 O ATOM 0 H SER A 39 -10.628 5.324 8.800 1.00 0.00 H new ATOM 0 HA SER A 39 -10.359 6.874 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.029 7.289 8.243 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.746 7.677 9.373 1.00 0.00 H new ATOM 0 HG SER A 39 -11.670 9.574 8.409 1.00 0.00 H new ATOM 573 N GLU A 40 -8.085 7.446 8.800 1.00 0.00 N ATOM 574 CA GLU A 40 -6.748 7.981 9.025 1.00 0.00 C ATOM 575 C GLU A 40 -5.774 7.476 7.964 1.00 0.00 C ATOM 576 O GLU A 40 -5.094 8.262 7.304 1.00 0.00 O ATOM 577 CB GLU A 40 -6.247 7.595 10.418 1.00 0.00 C ATOM 578 CG GLU A 40 -4.813 8.019 10.689 1.00 0.00 C ATOM 579 CD GLU A 40 -4.554 8.299 12.156 1.00 0.00 C ATOM 580 OE1 GLU A 40 -5.374 9.008 12.777 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.533 7.811 12.683 1.00 0.00 O ATOM 0 H GLU A 40 -8.536 7.073 9.635 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.803 9.067 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.898 8.046 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.326 6.514 10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.136 7.236 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.586 8.912 10.107 1.00 0.00 H new ATOM 588 N LEU A 41 -5.712 6.158 7.807 1.00 0.00 N ATOM 589 CA LEU A 41 -4.822 5.546 6.827 1.00 0.00 C ATOM 590 C LEU A 41 -4.924 6.255 5.480 1.00 0.00 C ATOM 591 O LEU A 41 -3.919 6.470 4.803 1.00 0.00 O ATOM 592 CB LEU A 41 -5.156 4.062 6.662 1.00 0.00 C ATOM 593 CG LEU A 41 -4.389 3.319 5.567 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.892 3.541 5.720 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.716 1.833 5.602 1.00 0.00 C ATOM 0 H LEU A 41 -6.267 5.493 8.346 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.799 5.644 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.970 3.561 7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.223 3.971 6.456 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.698 3.716 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.362 3.005 4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.673 4.606 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.567 3.171 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.162 1.320 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.436 1.422 6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.785 1.692 5.443 1.00 0.00 H new ATOM 607 N ARG A 42 -6.145 6.617 5.099 1.00 0.00 N ATOM 608 CA ARG A 42 -6.378 7.303 3.834 1.00 0.00 C ATOM 609 C ARG A 42 -5.788 8.710 3.861 1.00 0.00 C ATOM 610 O ARG A 42 -5.071 9.111 2.945 1.00 0.00 O ATOM 611 CB ARG A 42 -7.877 7.373 3.536 1.00 0.00 C ATOM 612 CG ARG A 42 -8.198 7.893 2.144 1.00 0.00 C ATOM 613 CD ARG A 42 -9.604 8.467 2.075 1.00 0.00 C ATOM 614 NE ARG A 42 -9.776 9.357 0.929 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.792 10.203 0.802 1.00 0.00 C ATOM 616 NH1 ARG A 42 -11.722 10.274 1.744 1.00 0.00 N ATOM 617 NH2 ARG A 42 -10.879 10.981 -0.270 1.00 0.00 N ATOM 0 H ARG A 42 -6.988 6.447 5.648 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.883 6.735 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.309 6.379 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.356 8.016 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.476 8.661 1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.098 7.084 1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.326 7.652 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.818 9.013 2.994 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.078 9.327 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.659 9.678 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.501 10.925 1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.165 10.929 -0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.660 11.630 -0.367 1.00 0.00 H new ATOM 631 N ASP A 43 -6.096 9.454 4.918 1.00 0.00 N ATOM 632 CA ASP A 43 -5.596 10.816 5.065 1.00 0.00 C ATOM 633 C ASP A 43 -4.122 10.898 4.682 1.00 0.00 C ATOM 634 O ASP A 43 -3.738 11.675 3.807 1.00 0.00 O ATOM 635 CB ASP A 43 -5.790 11.301 6.503 1.00 0.00 C ATOM 636 CG ASP A 43 -7.127 11.984 6.708 1.00 0.00 C ATOM 637 OD1 ASP A 43 -8.166 11.299 6.604 1.00 0.00 O ATOM 638 OD2 ASP A 43 -7.136 13.205 6.971 1.00 0.00 O ATOM 0 H ASP A 43 -6.689 9.137 5.685 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.164 11.460 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.710 10.453 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.988 11.993 6.761 1.00 0.00 H new ATOM 643 N LYS A 44 -3.298 10.093 5.344 1.00 0.00 N ATOM 644 CA LYS A 44 -1.865 10.073 5.074 1.00 0.00 C ATOM 645 C LYS A 44 -1.590 9.671 3.628 1.00 0.00 C ATOM 646 O LYS A 44 -0.826 10.333 2.925 1.00 0.00 O ATOM 647 CB LYS A 44 -1.159 9.106 6.026 1.00 0.00 C ATOM 648 CG LYS A 44 -1.186 9.553 7.478 1.00 0.00 C ATOM 649 CD LYS A 44 -0.819 8.417 8.418 1.00 0.00 C ATOM 650 CE LYS A 44 -0.354 8.940 9.769 1.00 0.00 C ATOM 651 NZ LYS A 44 1.097 9.275 9.764 1.00 0.00 N ATOM 0 H LYS A 44 -3.598 9.445 6.072 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.476 11.079 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.628 8.125 5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.122 8.990 5.710 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.491 10.381 7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.180 9.926 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.681 7.765 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.031 7.812 7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.931 9.826 10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.551 8.191 10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.277 10.048 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.647 8.438 10.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.381 9.573 8.809 1.00 0.00 H new ATOM 665 N ALA A 45 -2.217 8.585 3.191 1.00 0.00 N ATOM 666 CA ALA A 45 -2.042 8.098 1.828 1.00 0.00 C ATOM 667 C ALA A 45 -2.234 9.221 0.815 1.00 0.00 C ATOM 668 O ALA A 45 -1.589 9.241 -0.235 1.00 0.00 O ATOM 669 CB ALA A 45 -3.010 6.959 1.546 1.00 0.00 C ATOM 0 H ALA A 45 -2.851 8.025 3.761 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.022 7.726 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.868 6.605 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.823 6.142 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.034 7.313 1.668 1.00 0.00 H new ATOM 675 N LEU A 46 -3.124 10.154 1.134 1.00 0.00 N ATOM 676 CA LEU A 46 -3.402 11.281 0.251 1.00 0.00 C ATOM 677 C LEU A 46 -2.210 12.231 0.189 1.00 0.00 C ATOM 678 O LEU A 46 -1.848 12.719 -0.881 1.00 0.00 O ATOM 679 CB LEU A 46 -4.645 12.034 0.728 1.00 0.00 C ATOM 680 CG LEU A 46 -5.949 11.236 0.743 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.009 11.961 1.558 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.440 10.991 -0.676 1.00 0.00 C ATOM 0 H LEU A 46 -3.666 10.152 1.998 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.584 10.890 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.457 12.403 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.784 12.907 0.090 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.757 10.271 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.930 11.378 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.659 12.085 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.199 12.940 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.369 10.422 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.616 11.946 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.688 10.429 -1.229 1.00 0.00 H new ATOM 694 N GLU A 47 -1.603 12.486 1.343 1.00 0.00 N ATOM 695 CA GLU A 47 -0.450 13.376 1.419 1.00 0.00 C ATOM 696 C GLU A 47 0.655 12.917 0.472 1.00 0.00 C ATOM 697 O GLU A 47 1.266 13.727 -0.227 1.00 0.00 O ATOM 698 CB GLU A 47 0.083 13.436 2.852 1.00 0.00 C ATOM 699 CG GLU A 47 -0.729 14.337 3.767 1.00 0.00 C ATOM 700 CD GLU A 47 -0.976 15.708 3.166 1.00 0.00 C ATOM 701 OE1 GLU A 47 -0.009 16.492 3.062 1.00 0.00 O ATOM 702 OE2 GLU A 47 -2.134 15.996 2.800 1.00 0.00 O ATOM 0 H GLU A 47 -1.890 12.089 2.238 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.772 14.373 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.097 12.428 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.115 13.787 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.686 13.862 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.207 14.449 4.717 1.00 0.00 H new ATOM 709 N LEU A 48 0.907 11.613 0.455 1.00 0.00 N ATOM 710 CA LEU A 48 1.939 11.045 -0.405 1.00 0.00 C ATOM 711 C LEU A 48 1.609 11.274 -1.876 1.00 0.00 C ATOM 712 O LEU A 48 2.465 11.118 -2.747 1.00 0.00 O ATOM 713 CB LEU A 48 2.091 9.547 -0.132 1.00 0.00 C ATOM 714 CG LEU A 48 2.305 9.150 1.329 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.049 7.663 1.521 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.713 9.513 1.779 1.00 0.00 C ATOM 0 H LEU A 48 0.411 10.929 1.027 1.00 0.00 H new ATOM 0 HA LEU A 48 2.880 11.547 -0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.199 9.039 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.933 9.175 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 48 1.594 9.702 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.206 7.399 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.022 7.431 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.735 7.092 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.848 9.223 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.440 8.988 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.861 10.588 1.679 1.00 0.00 H new ATOM 728 N GLY A 49 0.362 11.648 -2.146 1.00 0.00 N ATOM 729 CA GLY A 49 -0.059 11.895 -3.513 1.00 0.00 C ATOM 730 C GLY A 49 -0.598 10.649 -4.188 1.00 0.00 C ATOM 731 O GLY A 49 -0.596 10.549 -5.415 1.00 0.00 O ATOM 0 H GLY A 49 -0.364 11.784 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.827 12.669 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.785 12.279 -4.086 1.00 0.00 H new ATOM 735 N ALA A 50 -1.061 9.696 -3.385 1.00 0.00 N ATOM 736 CA ALA A 50 -1.606 8.451 -3.912 1.00 0.00 C ATOM 737 C ALA A 50 -3.122 8.531 -4.050 1.00 0.00 C ATOM 738 O ALA A 50 -3.785 9.268 -3.320 1.00 0.00 O ATOM 739 CB ALA A 50 -1.215 7.284 -3.018 1.00 0.00 C ATOM 0 H ALA A 50 -1.069 9.763 -2.367 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.186 8.290 -4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.629 6.361 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.129 7.207 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.607 7.447 -2.014 1.00 0.00 H new ATOM 745 N LYS A 51 -3.667 7.768 -4.992 1.00 0.00 N ATOM 746 CA LYS A 51 -5.106 7.751 -5.226 1.00 0.00 C ATOM 747 C LYS A 51 -5.785 6.691 -4.364 1.00 0.00 C ATOM 748 O LYS A 51 -5.351 5.540 -4.323 1.00 0.00 O ATOM 749 CB LYS A 51 -5.400 7.486 -6.704 1.00 0.00 C ATOM 750 CG LYS A 51 -5.446 8.747 -7.550 1.00 0.00 C ATOM 751 CD LYS A 51 -4.073 9.107 -8.091 1.00 0.00 C ATOM 752 CE LYS A 51 -3.291 9.959 -7.104 1.00 0.00 C ATOM 753 NZ LYS A 51 -2.305 10.839 -7.790 1.00 0.00 N ATOM 0 H LYS A 51 -3.133 7.153 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.505 8.728 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.637 6.818 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.355 6.967 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.139 8.604 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.830 9.573 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.516 8.196 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.181 9.646 -9.032 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.983 10.571 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.771 9.312 -6.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.484 10.989 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.994 10.388 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.748 11.755 -8.006 1.00 0.00 H new ATOM 767 N TYR A 52 -6.852 7.087 -3.679 1.00 0.00 N ATOM 768 CA TYR A 52 -7.590 6.171 -2.818 1.00 0.00 C ATOM 769 C TYR A 52 -8.869 5.694 -3.499 1.00 0.00 C ATOM 770 O TYR A 52 -9.830 6.451 -3.641 1.00 0.00 O ATOM 771 CB TYR A 52 -7.929 6.849 -1.489 1.00 0.00 C ATOM 772 CG TYR A 52 -9.186 6.314 -0.840 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.231 5.024 -0.326 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.328 7.100 -0.741 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.378 4.532 0.267 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.478 6.616 -0.148 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.498 5.332 0.354 1.00 0.00 C ATOM 778 OH TYR A 52 -12.642 4.845 0.945 1.00 0.00 O ATOM 0 H TYR A 52 -7.225 8.036 -3.703 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.958 5.304 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.093 6.721 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.044 7.920 -1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.355 4.395 -0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.316 8.106 -1.134 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.397 3.526 0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.357 7.240 -0.078 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.339 5.534 0.927 1.00 0.00 H new ATOM 788 N ARG A 53 -8.873 4.433 -3.919 1.00 0.00 N ATOM 789 CA ARG A 53 -10.033 3.853 -4.586 1.00 0.00 C ATOM 790 C ARG A 53 -10.768 2.889 -3.659 1.00 0.00 C ATOM 791 O ARG A 53 -10.162 2.169 -2.865 1.00 0.00 O ATOM 792 CB ARG A 53 -9.603 3.124 -5.860 1.00 0.00 C ATOM 793 CG ARG A 53 -8.903 4.021 -6.868 1.00 0.00 C ATOM 794 CD ARG A 53 -9.903 4.786 -7.722 1.00 0.00 C ATOM 795 NE ARG A 53 -9.358 5.123 -9.034 1.00 0.00 N ATOM 796 CZ ARG A 53 -10.110 5.402 -10.093 1.00 0.00 C ATOM 797 NH1 ARG A 53 -11.432 5.384 -9.994 1.00 0.00 N ATOM 798 NH2 ARG A 53 -9.539 5.699 -11.253 1.00 0.00 N ATOM 0 H ARG A 53 -8.086 3.793 -3.809 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.712 4.664 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.937 2.304 -5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.481 2.681 -6.329 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.257 4.725 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.261 3.417 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.805 4.187 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.196 5.700 -7.206 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.344 5.145 -9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.874 5.156 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.007 5.599 -10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.522 5.713 -11.332 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.117 5.913 -12.066 1.00 0.00 H new ATOM 812 N PRO A 54 -12.105 2.874 -3.760 1.00 0.00 N ATOM 813 CA PRO A 54 -12.951 2.003 -2.939 1.00 0.00 C ATOM 814 C PRO A 54 -12.808 0.533 -3.316 1.00 0.00 C ATOM 815 O PRO A 54 -12.975 -0.352 -2.476 1.00 0.00 O ATOM 816 CB PRO A 54 -14.368 2.498 -3.242 1.00 0.00 C ATOM 817 CG PRO A 54 -14.273 3.113 -4.595 1.00 0.00 C ATOM 818 CD PRO A 54 -12.894 3.705 -4.685 1.00 0.00 C ATOM 0 HA PRO A 54 -12.684 2.052 -1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.085 1.677 -3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.701 3.224 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.429 2.367 -5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.036 3.879 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.502 3.658 -5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.887 4.754 -4.389 1.00 0.00 H new ATOM 826 N ASP A 55 -12.499 0.279 -4.583 1.00 0.00 N ATOM 827 CA ASP A 55 -12.331 -1.085 -5.070 1.00 0.00 C ATOM 828 C ASP A 55 -11.163 -1.173 -6.047 1.00 0.00 C ATOM 829 O ASP A 55 -10.731 -0.165 -6.606 1.00 0.00 O ATOM 830 CB ASP A 55 -13.615 -1.569 -5.746 1.00 0.00 C ATOM 831 CG ASP A 55 -14.047 -0.664 -6.883 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.485 -0.793 -7.990 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.948 0.174 -6.666 1.00 0.00 O ATOM 0 H ASP A 55 -12.360 1.000 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.115 -1.726 -4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.463 -2.579 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.413 -1.624 -5.006 1.00 0.00 H new ATOM 838 N TRP A 56 -10.657 -2.385 -6.248 1.00 0.00 N ATOM 839 CA TRP A 56 -9.537 -2.604 -7.157 1.00 0.00 C ATOM 840 C TRP A 56 -9.871 -2.111 -8.560 1.00 0.00 C ATOM 841 O TRP A 56 -10.709 -2.691 -9.251 1.00 0.00 O ATOM 842 CB TRP A 56 -9.171 -4.089 -7.198 1.00 0.00 C ATOM 843 CG TRP A 56 -7.881 -4.362 -7.909 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.720 -5.038 -9.086 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.570 -3.968 -7.489 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.389 -5.088 -9.421 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.663 -4.438 -8.459 1.00 0.00 C ATOM 848 CE3 TRP A 56 -6.075 -3.263 -6.389 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.290 -4.225 -8.358 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.713 -3.053 -6.291 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.833 -3.532 -7.271 1.00 0.00 C ATOM 0 H TRP A 56 -11.004 -3.230 -5.794 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.683 -2.036 -6.787 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.103 -4.468 -6.178 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.973 -4.640 -7.690 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.522 -5.469 -9.667 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.004 -5.537 -10.252 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.745 -2.889 -5.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.610 -4.594 -9.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.319 -2.510 -5.444 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.774 -3.350 -7.166 1.00 0.00 H new ATOM 862 N THR A 57 -9.210 -1.035 -8.977 1.00 0.00 N ATOM 863 CA THR A 57 -9.437 -0.464 -10.299 1.00 0.00 C ATOM 864 C THR A 57 -8.391 -0.950 -11.296 1.00 0.00 C ATOM 865 O THR A 57 -7.424 -1.612 -10.921 1.00 0.00 O ATOM 866 CB THR A 57 -9.413 1.076 -10.256 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.166 1.532 -9.719 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.560 1.612 -9.414 1.00 0.00 C ATOM 0 H THR A 57 -8.513 -0.542 -8.418 1.00 0.00 H new ATOM 0 HA THR A 57 -10.423 -0.797 -10.622 1.00 0.00 H new ATOM 0 HB THR A 57 -9.527 1.447 -11.274 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.679 0.774 -9.334 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.522 2.701 -9.399 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.508 1.288 -9.843 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.473 1.232 -8.396 1.00 0.00 H new ATOM 876 N ARG A 58 -8.592 -0.616 -12.566 1.00 0.00 N ATOM 877 CA ARG A 58 -7.666 -1.020 -13.617 1.00 0.00 C ATOM 878 C ARG A 58 -6.405 -0.161 -13.590 1.00 0.00 C ATOM 879 O ARG A 58 -5.482 -0.371 -14.377 1.00 0.00 O ATOM 880 CB ARG A 58 -8.339 -0.914 -14.987 1.00 0.00 C ATOM 881 CG ARG A 58 -7.470 -1.410 -16.132 1.00 0.00 C ATOM 882 CD ARG A 58 -8.308 -1.787 -17.344 1.00 0.00 C ATOM 883 NE ARG A 58 -7.482 -2.223 -18.466 1.00 0.00 N ATOM 884 CZ ARG A 58 -7.876 -2.169 -19.734 1.00 0.00 C ATOM 885 NH1 ARG A 58 -9.077 -1.699 -20.038 1.00 0.00 N ATOM 886 NH2 ARG A 58 -7.066 -2.585 -20.700 1.00 0.00 N ATOM 0 H ARG A 58 -9.387 -0.067 -12.892 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.382 -2.057 -13.438 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.267 -1.486 -14.972 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.609 0.126 -15.171 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.755 -0.636 -16.409 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.893 -2.274 -15.804 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.000 -2.584 -17.072 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -8.911 -0.931 -17.648 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.551 -2.589 -18.266 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.701 -1.378 -19.298 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.377 -1.658 -21.012 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.141 -2.946 -20.469 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.369 -2.543 -21.673 1.00 0.00 H new ATOM 900 N ASP A 59 -6.375 0.808 -12.682 1.00 0.00 N ATOM 901 CA ASP A 59 -5.228 1.699 -12.552 1.00 0.00 C ATOM 902 C ASP A 59 -4.491 1.448 -11.240 1.00 0.00 C ATOM 903 O ASP A 59 -3.430 2.022 -10.993 1.00 0.00 O ATOM 904 CB ASP A 59 -5.678 3.159 -12.627 1.00 0.00 C ATOM 905 CG ASP A 59 -6.491 3.450 -13.873 1.00 0.00 C ATOM 906 OD1 ASP A 59 -7.624 2.937 -13.975 1.00 0.00 O ATOM 907 OD2 ASP A 59 -5.993 4.191 -14.746 1.00 0.00 O ATOM 0 H ASP A 59 -7.132 0.997 -12.025 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.545 1.495 -13.377 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.272 3.399 -11.745 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.802 3.808 -12.608 1.00 0.00 H new ATOM 912 N SER A 60 -5.061 0.588 -10.402 1.00 0.00 N ATOM 913 CA SER A 60 -4.460 0.264 -9.113 1.00 0.00 C ATOM 914 C SER A 60 -3.060 -0.313 -9.295 1.00 0.00 C ATOM 915 O SER A 60 -2.881 -1.350 -9.935 1.00 0.00 O ATOM 916 CB SER A 60 -5.339 -0.731 -8.352 1.00 0.00 C ATOM 917 OG SER A 60 -6.644 -0.213 -8.158 1.00 0.00 O ATOM 0 H SER A 60 -5.938 0.103 -10.592 1.00 0.00 H new ATOM 0 HA SER A 60 -4.382 1.185 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.395 -1.669 -8.905 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.886 -0.957 -7.386 1.00 0.00 H new ATOM 0 HG SER A 60 -6.611 0.523 -7.512 1.00 0.00 H new ATOM 923 N THR A 61 -2.068 0.367 -8.728 1.00 0.00 N ATOM 924 CA THR A 61 -0.683 -0.076 -8.828 1.00 0.00 C ATOM 925 C THR A 61 -0.259 -0.843 -7.581 1.00 0.00 C ATOM 926 O THR A 61 0.545 -1.768 -7.687 1.00 0.00 O ATOM 927 CB THR A 61 0.274 1.113 -9.035 1.00 0.00 C ATOM 928 OG1 THR A 61 0.115 2.060 -7.973 1.00 0.00 O ATOM 929 CG2 THR A 61 0.011 1.793 -10.371 1.00 0.00 C ATOM 0 H THR A 61 -2.198 1.227 -8.195 1.00 0.00 H new ATOM 0 HA THR A 61 -0.625 -0.735 -9.694 1.00 0.00 H new ATOM 0 HB THR A 61 1.296 0.733 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.450 1.674 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.699 2.630 -10.495 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.161 1.077 -11.179 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.015 2.160 -10.397 1.00 0.00 H new ATOM 937 N HIS A 62 -0.803 -0.449 -6.439 1.00 0.00 N ATOM 938 CA HIS A 62 -0.473 -1.107 -5.186 1.00 0.00 C ATOM 939 C HIS A 62 -1.746 -1.307 -4.361 1.00 0.00 C ATOM 940 O HIS A 62 -2.683 -0.508 -4.401 1.00 0.00 O ATOM 941 CB HIS A 62 0.607 -0.330 -4.431 1.00 0.00 C ATOM 942 CG HIS A 62 1.855 -0.071 -5.241 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.871 0.756 -6.351 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.129 -0.536 -5.089 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.103 0.778 -6.838 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.881 -0.023 -6.055 1.00 0.00 N ATOM 0 H HIS A 62 -1.470 0.318 -6.355 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.054 -2.093 -5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.193 0.624 -4.105 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.878 -0.884 -3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.468 -1.208 -4.314 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.433 1.333 -7.704 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.877 -0.199 -6.190 1.00 0.00 H new ATOM 954 N LEU A 63 -1.759 -2.399 -3.604 1.00 0.00 N ATOM 955 CA LEU A 63 -2.901 -2.730 -2.759 1.00 0.00 C ATOM 956 C LEU A 63 -2.507 -2.724 -1.285 1.00 0.00 C ATOM 957 O LEU A 63 -1.646 -3.495 -0.860 1.00 0.00 O ATOM 958 CB LEU A 63 -3.464 -4.100 -3.142 1.00 0.00 C ATOM 959 CG LEU A 63 -4.350 -4.778 -2.097 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.739 -4.159 -2.093 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.433 -6.275 -2.358 1.00 0.00 C ATOM 0 H LEU A 63 -0.992 -3.070 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.669 -1.972 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.040 -3.990 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.629 -4.764 -3.367 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.903 -4.625 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.356 -4.654 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.664 -3.097 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.195 -4.281 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.068 -6.741 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.857 -6.449 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.434 -6.709 -2.310 1.00 0.00 H new ATOM 973 N ILE A 64 -3.144 -1.852 -0.511 1.00 0.00 N ATOM 974 CA ILE A 64 -2.863 -1.749 0.915 1.00 0.00 C ATOM 975 C ILE A 64 -3.692 -2.750 1.713 1.00 0.00 C ATOM 976 O ILE A 64 -4.821 -2.459 2.110 1.00 0.00 O ATOM 977 CB ILE A 64 -3.144 -0.330 1.443 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.520 0.716 0.516 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.610 -0.176 2.859 1.00 0.00 C ATOM 980 CD1 ILE A 64 -1.009 0.748 0.572 1.00 0.00 C ATOM 0 H ILE A 64 -3.858 -1.207 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.804 -1.973 1.045 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.222 -0.173 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.833 0.515 -0.508 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.906 1.700 0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.816 0.832 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.097 -0.900 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.534 -0.349 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.636 1.512 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.687 0.979 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.613 -0.224 0.279 1.00 0.00 H new ATOM 992 N CYS A 65 -3.124 -3.928 1.945 1.00 0.00 N ATOM 993 CA CYS A 65 -3.810 -4.972 2.697 1.00 0.00 C ATOM 994 C CYS A 65 -3.437 -4.912 4.175 1.00 0.00 C ATOM 995 O CYS A 65 -2.299 -4.601 4.526 1.00 0.00 O ATOM 996 CB CYS A 65 -3.466 -6.349 2.128 1.00 0.00 C ATOM 997 SG CYS A 65 -4.298 -7.721 2.961 1.00 0.00 S ATOM 0 H CYS A 65 -2.191 -4.184 1.623 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.883 -4.806 2.605 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.727 -6.369 1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.388 -6.498 2.193 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.945 -8.843 2.407 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.403 -5.212 5.037 1.00 0.00 N ATOM 1004 CA ALA A 66 -4.176 -5.192 6.476 1.00 0.00 C ATOM 1005 C ALA A 66 -3.519 -6.486 6.946 1.00 0.00 C ATOM 1006 O ALA A 66 -2.580 -6.464 7.741 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.487 -4.966 7.214 1.00 0.00 C ATOM 0 H ALA A 66 -5.351 -5.472 4.763 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.498 -4.368 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.302 -4.953 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.917 -4.012 6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.183 -5.770 6.975 1.00 0.00 H new ATOM 1013 N PHE A 67 -4.020 -7.613 6.450 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.482 -8.916 6.820 1.00 0.00 C ATOM 1015 C PHE A 67 -3.704 -9.933 5.704 1.00 0.00 C ATOM 1016 O PHE A 67 -4.720 -9.897 5.010 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.133 -9.411 8.114 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.591 -9.066 8.221 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.553 -9.886 7.654 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.998 -7.924 8.890 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.895 -9.570 7.751 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -7.339 -7.603 8.991 1.00 0.00 C ATOM 1023 CZ PHE A 67 -8.289 -8.428 8.421 1.00 0.00 C ATOM 0 H PHE A 67 -4.798 -7.649 5.791 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.409 -8.807 6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.018 -10.493 8.178 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.603 -8.983 8.965 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.251 -10.781 7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.259 -7.276 9.338 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.636 -10.216 7.303 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.643 -6.709 9.515 1.00 0.00 H new ATOM 0 HZ PHE A 67 -9.337 -8.181 8.499 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.747 -10.840 5.539 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.838 -11.868 4.509 1.00 0.00 C ATOM 1035 C ALA A 68 -4.009 -12.808 4.775 1.00 0.00 C ATOM 1036 O ALA A 68 -4.788 -12.598 5.703 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.536 -12.652 4.430 1.00 0.00 C ATOM 0 H ALA A 68 -1.900 -10.884 6.105 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.011 -11.376 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.618 -13.416 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.718 -11.975 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.339 -13.127 5.391 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.126 -13.846 3.953 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.203 -14.819 4.098 1.00 0.00 C ATOM 1045 C ASN A 69 -6.563 -14.161 3.882 1.00 0.00 C ATOM 1046 O ASN A 69 -7.572 -14.598 4.437 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.151 -15.465 5.484 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.252 -16.685 5.520 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -4.677 -17.773 5.910 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.000 -16.510 5.111 1.00 0.00 N ATOM 0 H ASN A 69 -3.488 -14.035 3.180 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.068 -15.590 3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.795 -14.734 6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.158 -15.750 5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.349 -17.295 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.690 -15.591 4.796 1.00 0.00 H new ATOM 1057 N THR A 70 -6.582 -13.107 3.072 1.00 0.00 N ATOM 1058 CA THR A 70 -7.817 -12.388 2.783 1.00 0.00 C ATOM 1059 C THR A 70 -8.311 -12.691 1.373 1.00 0.00 C ATOM 1060 O THR A 70 -7.559 -13.138 0.508 1.00 0.00 O ATOM 1061 CB THR A 70 -7.629 -10.867 2.934 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.282 -10.505 2.611 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.955 -10.419 4.351 1.00 0.00 C ATOM 0 H THR A 70 -5.756 -12.732 2.605 1.00 0.00 H new ATOM 0 HA THR A 70 -8.559 -12.728 3.506 1.00 0.00 H new ATOM 0 HB THR A 70 -8.313 -10.369 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.790 -10.307 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.815 -9.341 4.433 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.990 -10.669 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.294 -10.925 5.054 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.607 -12.441 1.134 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.231 -12.679 -0.172 1.00 0.00 C ATOM 1073 C PRO A 71 -9.745 -11.698 -1.233 1.00 0.00 C ATOM 1074 O PRO A 71 -9.620 -12.049 -2.407 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.722 -12.472 0.105 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.766 -11.563 1.285 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.563 -11.908 2.118 1.00 0.00 C ATOM 0 HA PRO A 71 -9.990 -13.666 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.227 -12.030 -0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.221 -13.418 0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.739 -10.519 0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.686 -11.703 1.852 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.165 -11.032 2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.803 -12.645 2.885 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.473 -10.467 -0.814 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.998 -9.435 -1.728 1.00 0.00 C ATOM 1087 C LYS A 72 -7.513 -9.613 -2.028 1.00 0.00 C ATOM 1088 O LYS A 72 -7.026 -9.187 -3.075 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.246 -8.046 -1.135 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.649 -6.917 -1.958 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.401 -6.721 -3.264 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.608 -5.814 -3.081 1.00 0.00 C ATOM 1093 NZ LYS A 72 -11.819 -6.578 -2.671 1.00 0.00 N ATOM 0 H LYS A 72 -9.573 -10.159 0.153 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.553 -9.530 -2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.320 -7.887 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.829 -8.010 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.673 -5.993 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.602 -7.134 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.732 -6.292 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.726 -7.688 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.383 -5.058 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.810 -5.286 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.608 -6.344 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.621 -7.598 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.074 -6.326 -1.695 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.800 -10.247 -1.103 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.371 -10.481 -1.268 1.00 0.00 C ATOM 1109 C TYR A 73 -5.100 -11.360 -2.486 1.00 0.00 C ATOM 1110 O TYR A 73 -4.329 -10.991 -3.372 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.792 -11.136 -0.013 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.411 -11.717 -0.216 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.276 -10.927 -0.077 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.240 -13.057 -0.544 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.012 -11.454 -0.262 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -1.980 -13.592 -0.729 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.870 -12.786 -0.588 1.00 0.00 C ATOM 1118 OH TYR A 73 0.388 -13.315 -0.771 1.00 0.00 O ATOM 0 H TYR A 73 -7.189 -10.608 -0.232 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.886 -9.517 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.752 -10.397 0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.465 -11.927 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.384 -9.884 0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.107 -13.691 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.140 -10.826 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.865 -14.635 -0.983 1.00 0.00 H new ATOM 0 HH TYR A 73 0.314 -14.266 -0.995 1.00 0.00 H new ATOM 1128 N SER A 74 -5.740 -12.524 -2.521 1.00 0.00 N ATOM 1129 CA SER A 74 -5.566 -13.458 -3.627 1.00 0.00 C ATOM 1130 C SER A 74 -6.111 -12.870 -4.925 1.00 0.00 C ATOM 1131 O SER A 74 -5.495 -13.000 -5.983 1.00 0.00 O ATOM 1132 CB SER A 74 -6.269 -14.782 -3.319 1.00 0.00 C ATOM 1133 OG SER A 74 -5.906 -15.782 -4.256 1.00 0.00 O ATOM 0 H SER A 74 -6.383 -12.843 -1.797 1.00 0.00 H new ATOM 0 HA SER A 74 -4.499 -13.641 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.009 -15.110 -2.313 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.349 -14.637 -3.337 1.00 0.00 H new ATOM 0 HG SER A 74 -6.367 -16.619 -4.037 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.269 -12.224 -4.835 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.897 -11.616 -6.002 1.00 0.00 C ATOM 1141 C GLN A 75 -6.902 -10.750 -6.767 1.00 0.00 C ATOM 1142 O GLN A 75 -6.783 -10.853 -7.988 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.103 -10.776 -5.579 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.917 -10.247 -6.749 1.00 0.00 C ATOM 1145 CD GLN A 75 -11.035 -9.322 -6.311 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -11.259 -9.122 -5.117 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.745 -8.753 -7.278 1.00 0.00 N ATOM 0 H GLN A 75 -7.791 -12.108 -3.966 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.234 -12.417 -6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.749 -11.379 -4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.757 -9.935 -4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.257 -9.715 -7.434 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.340 -11.086 -7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.524 -8.947 -8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.511 -8.122 -7.044 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.189 -9.895 -6.040 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.203 -9.010 -6.650 1.00 0.00 C ATOM 1158 C VAL A 76 -3.891 -9.743 -6.905 1.00 0.00 C ATOM 1159 O VAL A 76 -3.035 -9.265 -7.651 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.928 -7.780 -5.764 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.994 -6.811 -6.471 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.233 -7.096 -5.384 1.00 0.00 C ATOM 0 H VAL A 76 -6.276 -9.796 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.621 -8.677 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.440 -8.114 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.811 -5.949 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.049 -7.309 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.451 -6.480 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.021 -6.229 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.751 -6.773 -6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.863 -7.795 -4.834 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.738 -10.905 -6.281 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.529 -11.706 -6.440 1.00 0.00 C ATOM 1174 C LEU A 77 -2.497 -12.377 -7.810 1.00 0.00 C ATOM 1175 O LEU A 77 -1.465 -12.397 -8.479 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.445 -12.764 -5.339 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.278 -13.747 -5.439 1.00 0.00 C ATOM 1178 CD1 LEU A 77 0.043 -13.034 -5.188 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -1.461 -14.895 -4.458 1.00 0.00 C ATOM 0 H LEU A 77 -4.436 -11.314 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.669 -11.041 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.383 -12.254 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.374 -13.334 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.260 -14.158 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.862 -13.749 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.179 -12.247 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.035 -12.594 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.621 -15.584 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.506 -14.502 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.388 -15.423 -4.684 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.636 -12.926 -8.221 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.717 -13.588 -9.510 1.00 0.00 C ATOM 1193 C GLY A 78 -3.619 -12.617 -10.669 1.00 0.00 C ATOM 1194 O GLY A 78 -3.026 -12.929 -11.702 1.00 0.00 O ATOM 0 H GLY A 78 -4.504 -12.924 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.916 -14.323 -9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.658 -14.133 -9.576 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.202 -11.435 -10.500 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.179 -10.414 -11.541 1.00 0.00 C ATOM 1200 C LEU A 79 -2.747 -10.001 -11.867 1.00 0.00 C ATOM 1201 O LEU A 79 -2.365 -9.914 -13.033 1.00 0.00 O ATOM 1202 CB LEU A 79 -4.987 -9.192 -11.103 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.508 -9.350 -11.125 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.165 -8.312 -10.228 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.035 -9.238 -12.548 1.00 0.00 C ATOM 0 H LEU A 79 -4.697 -11.160 -9.651 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.629 -10.836 -12.439 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.684 -8.925 -10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.719 -8.354 -11.747 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.757 -10.340 -10.743 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.247 -8.440 -10.256 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.811 -8.439 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.908 -7.313 -10.579 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.119 -9.353 -12.545 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.775 -8.262 -12.957 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.589 -10.019 -13.164 1.00 0.00 H new ATOM 1217 N GLY A 80 -1.958 -9.749 -10.827 1.00 0.00 N ATOM 1218 CA GLY A 80 -0.576 -9.350 -11.023 1.00 0.00 C ATOM 1219 C GLY A 80 -0.293 -7.959 -10.493 1.00 0.00 C ATOM 1220 O GLY A 80 0.402 -7.172 -11.134 1.00 0.00 O ATOM 0 H GLY A 80 -2.251 -9.814 -9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.079 -10.065 -10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.338 -9.386 -12.086 1.00 0.00 H new ATOM 1224 N GLY A 81 -0.836 -7.654 -9.318 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.628 -6.347 -8.722 1.00 0.00 C ATOM 1226 C GLY A 81 0.414 -6.370 -7.622 1.00 0.00 C ATOM 1227 O GLY A 81 0.805 -7.438 -7.151 1.00 0.00 O ATOM 0 H GLY A 81 -1.416 -8.288 -8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.320 -5.643 -9.495 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.572 -5.982 -8.317 1.00 0.00 H new ATOM 1231 N ARG A 82 0.868 -5.190 -7.213 1.00 0.00 N ATOM 1232 CA ARG A 82 1.874 -5.079 -6.164 1.00 0.00 C ATOM 1233 C ARG A 82 1.225 -5.108 -4.783 1.00 0.00 C ATOM 1234 O ARG A 82 0.783 -4.078 -4.272 1.00 0.00 O ATOM 1235 CB ARG A 82 2.679 -3.790 -6.334 1.00 0.00 C ATOM 1236 CG ARG A 82 3.919 -3.727 -5.458 1.00 0.00 C ATOM 1237 CD ARG A 82 5.024 -4.626 -5.990 1.00 0.00 C ATOM 1238 NE ARG A 82 6.352 -4.124 -5.647 1.00 0.00 N ATOM 1239 CZ ARG A 82 6.854 -2.990 -6.123 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.143 -2.245 -6.957 1.00 0.00 N ATOM 1241 NH2 ARG A 82 8.071 -2.600 -5.764 1.00 0.00 N ATOM 0 H ARG A 82 0.555 -4.297 -7.593 1.00 0.00 H new ATOM 0 HA ARG A 82 2.546 -5.933 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.977 -3.692 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.038 -2.939 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.278 -2.699 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.663 -4.026 -4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.901 -5.630 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.936 -4.706 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 82 6.925 -4.674 -5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.208 -2.542 -7.235 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.531 -1.375 -7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.621 -3.171 -5.122 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.456 -1.729 -6.130 1.00 0.00 H new ATOM 1255 N ILE A 83 1.170 -6.293 -4.185 1.00 0.00 N ATOM 1256 CA ILE A 83 0.575 -6.455 -2.864 1.00 0.00 C ATOM 1257 C ILE A 83 1.591 -6.164 -1.765 1.00 0.00 C ATOM 1258 O ILE A 83 2.580 -6.880 -1.612 1.00 0.00 O ATOM 1259 CB ILE A 83 0.018 -7.878 -2.669 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -0.952 -8.229 -3.799 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.670 -7.996 -1.317 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.327 -9.694 -3.840 1.00 0.00 C ATOM 0 H ILE A 83 1.530 -7.155 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.245 -5.740 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 83 0.848 -8.584 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.858 -7.633 -3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.503 -7.950 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.059 -9.007 -1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.047 -7.783 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.492 -7.282 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.017 -9.870 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.429 -10.296 -3.983 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.806 -9.973 -2.901 1.00 0.00 H new ATOM 1274 N VAL A 84 1.339 -5.107 -0.999 1.00 0.00 N ATOM 1275 CA VAL A 84 2.229 -4.721 0.089 1.00 0.00 C ATOM 1276 C VAL A 84 1.447 -4.453 1.370 1.00 0.00 C ATOM 1277 O VAL A 84 0.231 -4.264 1.339 1.00 0.00 O ATOM 1278 CB VAL A 84 3.047 -3.467 -0.273 1.00 0.00 C ATOM 1279 CG1 VAL A 84 4.169 -3.820 -1.237 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.143 -2.394 -0.863 1.00 0.00 C ATOM 0 H VAL A 84 0.525 -4.503 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 84 2.911 -5.556 0.251 1.00 0.00 H new ATOM 0 HB VAL A 84 3.496 -3.072 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.735 -2.921 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.831 -4.551 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.746 -4.241 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.737 -1.515 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.664 -2.777 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.379 -2.121 -0.135 1.00 0.00 H new ATOM 1290 N ARG A 85 2.154 -4.438 2.496 1.00 0.00 N ATOM 1291 CA ARG A 85 1.526 -4.194 3.788 1.00 0.00 C ATOM 1292 C ARG A 85 1.056 -2.747 3.900 1.00 0.00 C ATOM 1293 O ARG A 85 1.270 -1.941 2.994 1.00 0.00 O ATOM 1294 CB ARG A 85 2.503 -4.513 4.922 1.00 0.00 C ATOM 1295 CG ARG A 85 2.488 -5.972 5.346 1.00 0.00 C ATOM 1296 CD ARG A 85 3.749 -6.343 6.111 1.00 0.00 C ATOM 1297 NE ARG A 85 3.602 -6.124 7.548 1.00 0.00 N ATOM 1298 CZ ARG A 85 2.777 -6.826 8.317 1.00 0.00 C ATOM 1299 NH1 ARG A 85 2.031 -7.787 7.791 1.00 0.00 N ATOM 1300 NH2 ARG A 85 2.699 -6.567 9.617 1.00 0.00 N ATOM 0 H ARG A 85 3.161 -4.592 2.539 1.00 0.00 H new ATOM 0 HA ARG A 85 0.657 -4.847 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.512 -4.245 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.262 -3.890 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.614 -6.162 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.396 -6.607 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.990 -7.390 5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.586 -5.753 5.738 1.00 0.00 H new ATOM 0 HE ARG A 85 4.163 -5.393 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.089 -7.989 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.399 -8.324 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.273 -5.829 10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.065 -7.106 10.207 1.00 0.00 H new ATOM 1314 N LYS A 86 0.413 -2.423 5.017 1.00 0.00 N ATOM 1315 CA LYS A 86 -0.087 -1.073 5.249 1.00 0.00 C ATOM 1316 C LYS A 86 1.034 -0.149 5.712 1.00 0.00 C ATOM 1317 O LYS A 86 1.007 1.053 5.451 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.208 -1.095 6.291 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.749 -1.540 7.668 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.763 -1.175 8.739 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.405 -1.796 10.081 1.00 0.00 C ATOM 1322 NZ LYS A 86 -1.534 -3.279 10.058 1.00 0.00 N ATOM 0 H LYS A 86 0.226 -3.078 5.776 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.482 -0.692 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.642 -0.098 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.999 -1.762 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.590 -2.618 7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.210 -1.076 7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.812 -0.091 8.840 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.754 -1.512 8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.383 -1.524 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.054 -1.387 10.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.550 -3.641 11.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.417 -3.543 9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.725 -3.690 9.549 1.00 0.00 H new ATOM 1336 N GLU A 87 2.020 -0.719 6.398 1.00 0.00 N ATOM 1337 CA GLU A 87 3.151 0.055 6.896 1.00 0.00 C ATOM 1338 C GLU A 87 3.761 0.903 5.784 1.00 0.00 C ATOM 1339 O GLU A 87 4.140 2.054 6.003 1.00 0.00 O ATOM 1340 CB GLU A 87 4.214 -0.875 7.485 1.00 0.00 C ATOM 1341 CG GLU A 87 5.018 -0.244 8.610 1.00 0.00 C ATOM 1342 CD GLU A 87 5.777 -1.269 9.429 1.00 0.00 C ATOM 1343 OE1 GLU A 87 6.502 -2.090 8.828 1.00 0.00 O ATOM 1344 OE2 GLU A 87 5.648 -1.251 10.671 1.00 0.00 O ATOM 0 H GLU A 87 2.058 -1.714 6.621 1.00 0.00 H new ATOM 0 HA GLU A 87 2.787 0.720 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.729 -1.777 7.858 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.895 -1.184 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.722 0.474 8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.347 0.313 9.263 1.00 0.00 H new ATOM 1351 N TRP A 88 3.854 0.326 4.591 1.00 0.00 N ATOM 1352 CA TRP A 88 4.419 1.028 3.444 1.00 0.00 C ATOM 1353 C TRP A 88 3.960 2.482 3.416 1.00 0.00 C ATOM 1354 O TRP A 88 4.697 3.368 2.983 1.00 0.00 O ATOM 1355 CB TRP A 88 4.018 0.329 2.144 1.00 0.00 C ATOM 1356 CG TRP A 88 4.628 0.949 0.924 1.00 0.00 C ATOM 1357 CD1 TRP A 88 5.938 1.294 0.747 1.00 0.00 C ATOM 1358 CD2 TRP A 88 3.952 1.300 -0.289 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.117 1.838 -0.502 1.00 0.00 N ATOM 1360 CE2 TRP A 88 4.914 1.852 -1.157 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.629 1.200 -0.726 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.592 2.302 -2.435 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.311 1.647 -1.994 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.289 2.192 -2.837 1.00 0.00 C ATOM 0 H TRP A 88 3.546 -0.626 4.393 1.00 0.00 H new ATOM 0 HA TRP A 88 5.505 1.011 3.538 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.314 -0.719 2.197 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.932 0.349 2.049 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.718 1.159 1.481 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.002 2.176 -0.880 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.868 0.781 -0.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.344 2.723 -3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.291 1.575 -2.342 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.009 2.532 -3.823 1.00 0.00 H new ATOM 1375 N VAL A 89 2.738 2.722 3.881 1.00 0.00 N ATOM 1376 CA VAL A 89 2.182 4.069 3.910 1.00 0.00 C ATOM 1377 C VAL A 89 2.537 4.782 5.210 1.00 0.00 C ATOM 1378 O VAL A 89 2.873 5.967 5.210 1.00 0.00 O ATOM 1379 CB VAL A 89 0.650 4.048 3.751 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.087 5.459 3.815 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.260 3.368 2.447 1.00 0.00 C ATOM 0 H VAL A 89 2.114 2.001 4.243 1.00 0.00 H new ATOM 0 HA VAL A 89 2.619 4.610 3.071 1.00 0.00 H new ATOM 0 HB VAL A 89 0.224 3.475 4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.996 5.424 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.336 5.907 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.517 6.059 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.826 3.362 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.696 3.912 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.630 2.343 2.446 1.00 0.00 H new ATOM 1391 N LEU A 90 2.460 4.053 6.318 1.00 0.00 N ATOM 1392 CA LEU A 90 2.774 4.615 7.627 1.00 0.00 C ATOM 1393 C LEU A 90 4.223 5.087 7.684 1.00 0.00 C ATOM 1394 O LEU A 90 4.497 6.249 7.985 1.00 0.00 O ATOM 1395 CB LEU A 90 2.519 3.579 8.723 1.00 0.00 C ATOM 1396 CG LEU A 90 1.053 3.277 9.034 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.931 1.984 9.826 1.00 0.00 C ATOM 1398 CD2 LEU A 90 0.420 4.432 9.795 1.00 0.00 C ATOM 0 H LEU A 90 2.183 3.072 6.336 1.00 0.00 H new ATOM 0 HA LEU A 90 2.125 5.475 7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.008 2.648 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.000 3.922 9.639 1.00 0.00 H new ATOM 0 HG LEU A 90 0.520 3.154 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.119 1.785 10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.346 1.161 9.245 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.479 2.078 10.763 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.623 4.199 10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.955 4.587 10.732 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.474 5.338 9.192 1.00 0.00 H new ATOM 1410 N ASP A 91 5.147 4.179 7.391 1.00 0.00 N ATOM 1411 CA ASP A 91 6.569 4.503 7.405 1.00 0.00 C ATOM 1412 C ASP A 91 6.879 5.634 6.430 1.00 0.00 C ATOM 1413 O ASP A 91 7.566 6.595 6.777 1.00 0.00 O ATOM 1414 CB ASP A 91 7.399 3.267 7.053 1.00 0.00 C ATOM 1415 CG ASP A 91 6.706 2.374 6.043 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.219 2.900 5.021 1.00 0.00 O ATOM 1417 OD2 ASP A 91 6.651 1.147 6.275 1.00 0.00 O ATOM 0 H ASP A 91 4.937 3.213 7.141 1.00 0.00 H new ATOM 0 HA ASP A 91 6.831 4.833 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.363 3.582 6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.600 2.697 7.960 1.00 0.00 H new ATOM 1422 N CYS A 92 6.368 5.512 5.210 1.00 0.00 N ATOM 1423 CA CYS A 92 6.592 6.524 4.183 1.00 0.00 C ATOM 1424 C CYS A 92 6.137 7.897 4.664 1.00 0.00 C ATOM 1425 O CYS A 92 6.912 8.849 4.591 1.00 0.00 O ATOM 1426 CB CYS A 92 5.851 6.149 2.898 1.00 0.00 C ATOM 1427 SG CYS A 92 6.741 4.977 1.848 1.00 0.00 S ATOM 0 H CYS A 92 5.796 4.723 4.908 1.00 0.00 H new ATOM 0 HA CYS A 92 7.662 6.567 3.978 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.883 5.722 3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.655 7.056 2.326 1.00 0.00 H new ATOM 0 HG CYS A 92 6.187 3.805 1.940 1.00 0.00 H new ATOM 1433 N HIS A 93 4.902 7.970 5.140 1.00 0.00 N ATOM 1434 CA HIS A 93 4.361 9.228 5.626 1.00 0.00 C ATOM 1435 C HIS A 93 5.216 9.742 6.785 1.00 0.00 C ATOM 1436 O HIS A 93 5.723 10.864 6.775 1.00 0.00 O ATOM 1437 CB HIS A 93 2.885 9.076 6.000 1.00 0.00 C ATOM 1438 CG HIS A 93 2.261 10.331 6.562 1.00 0.00 C ATOM 1439 ND1 HIS A 93 2.355 10.682 7.897 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.536 11.314 5.955 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.711 11.826 8.075 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.203 12.216 6.871 1.00 0.00 N ATOM 0 H HIS A 93 4.261 7.179 5.199 1.00 0.00 H new ATOM 0 HA HIS A 93 4.400 9.975 4.833 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.326 8.770 5.116 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.787 8.275 6.732 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.277 11.352 4.907 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.607 12.357 9.010 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.657 13.061 6.702 1.00 0.00 H new ATOM 1450 N ARG A 94 5.367 8.889 7.793 1.00 0.00 N ATOM 1451 CA ARG A 94 6.153 9.230 8.972 1.00 0.00 C ATOM 1452 C ARG A 94 7.493 9.843 8.574 1.00 0.00 C ATOM 1453 O ARG A 94 7.857 10.921 9.042 1.00 0.00 O ATOM 1454 CB ARG A 94 6.385 7.988 9.834 1.00 0.00 C ATOM 1455 CG ARG A 94 7.191 8.262 11.093 1.00 0.00 C ATOM 1456 CD ARG A 94 6.307 8.767 12.223 1.00 0.00 C ATOM 1457 NE ARG A 94 5.327 7.768 12.639 1.00 0.00 N ATOM 1458 CZ ARG A 94 4.544 7.905 13.704 1.00 0.00 C ATOM 1459 NH1 ARG A 94 4.626 8.995 14.455 1.00 0.00 N ATOM 1460 NH2 ARG A 94 3.677 6.952 14.019 1.00 0.00 N ATOM 0 H ARG A 94 4.955 7.956 7.816 1.00 0.00 H new ATOM 0 HA ARG A 94 5.593 9.966 9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.420 7.566 10.115 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.901 7.235 9.239 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.699 7.350 11.407 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.964 8.999 10.878 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.929 9.041 13.075 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.789 9.671 11.902 1.00 0.00 H new ATOM 0 HE ARG A 94 5.238 6.918 12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.291 9.730 14.216 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.024 9.098 15.272 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.611 6.112 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.077 7.059 14.837 1.00 0.00 H new ATOM 1474 N MET A 95 8.221 9.147 7.707 1.00 0.00 N ATOM 1475 CA MET A 95 9.520 9.623 7.246 1.00 0.00 C ATOM 1476 C MET A 95 9.360 10.597 6.082 1.00 0.00 C ATOM 1477 O MET A 95 10.337 11.178 5.608 1.00 0.00 O ATOM 1478 CB MET A 95 10.399 8.444 6.822 1.00 0.00 C ATOM 1479 CG MET A 95 10.722 7.489 7.959 1.00 0.00 C ATOM 1480 SD MET A 95 12.112 6.404 7.581 1.00 0.00 S ATOM 1481 CE MET A 95 11.307 4.804 7.596 1.00 0.00 C ATOM 0 H MET A 95 7.934 8.252 7.310 1.00 0.00 H new ATOM 0 HA MET A 95 10.001 10.147 8.072 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.896 7.893 6.027 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.330 8.827 6.404 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.948 8.063 8.857 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.843 6.883 8.181 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.860 4.112 6.961 1.00 0.00 H new ATOM 0 HE2 MET A 95 11.282 4.419 8.615 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.289 4.906 7.221 1.00 0.00 H new ATOM 1491 N ARG A 96 8.124 10.769 5.627 1.00 0.00 N ATOM 1492 CA ARG A 96 7.837 11.671 4.518 1.00 0.00 C ATOM 1493 C ARG A 96 8.807 11.438 3.363 1.00 0.00 C ATOM 1494 O ARG A 96 9.323 12.387 2.772 1.00 0.00 O ATOM 1495 CB ARG A 96 7.920 13.127 4.982 1.00 0.00 C ATOM 1496 CG ARG A 96 7.195 13.391 6.291 1.00 0.00 C ATOM 1497 CD ARG A 96 7.291 14.853 6.696 1.00 0.00 C ATOM 1498 NE ARG A 96 8.515 15.136 7.441 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.681 14.831 8.723 1.00 0.00 C ATOM 1500 NH1 ARG A 96 7.707 14.237 9.399 1.00 0.00 N ATOM 1501 NH2 ARG A 96 9.824 15.119 9.332 1.00 0.00 N ATOM 0 H ARG A 96 7.305 10.296 6.009 1.00 0.00 H new ATOM 0 HA ARG A 96 6.825 11.466 4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.968 13.404 5.095 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.501 13.771 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.147 13.108 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.620 12.766 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.257 15.479 5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.427 15.118 7.305 1.00 0.00 H new ATOM 0 HE ARG A 96 9.284 15.593 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.827 14.013 8.935 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.838 14.004 10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.576 15.575 8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.951 14.884 10.317 1.00 0.00 H new ATOM 1515 N ARG A 97 9.050 10.170 3.047 1.00 0.00 N ATOM 1516 CA ARG A 97 9.958 9.813 1.965 1.00 0.00 C ATOM 1517 C ARG A 97 9.434 8.607 1.191 1.00 0.00 C ATOM 1518 O ARG A 97 8.471 7.962 1.605 1.00 0.00 O ATOM 1519 CB ARG A 97 11.352 9.510 2.519 1.00 0.00 C ATOM 1520 CG ARG A 97 11.381 8.335 3.484 1.00 0.00 C ATOM 1521 CD ARG A 97 12.806 7.893 3.780 1.00 0.00 C ATOM 1522 NE ARG A 97 13.537 8.889 4.559 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.651 8.622 5.231 1.00 0.00 C ATOM 1524 NH1 ARG A 97 15.160 7.398 5.218 1.00 0.00 N ATOM 1525 NH2 ARG A 97 15.260 9.581 5.917 1.00 0.00 N ATOM 0 H ARG A 97 8.630 9.373 3.526 1.00 0.00 H new ATOM 0 HA ARG A 97 10.022 10.661 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.027 9.304 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.733 10.396 3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.885 8.614 4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.821 7.501 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.787 6.949 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.331 7.709 2.842 1.00 0.00 H new ATOM 0 HE ARG A 97 13.172 9.841 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.696 6.658 4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 97 16.016 7.196 5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.873 10.524 5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.115 9.375 6.433 1.00 0.00 H new ATOM 1539 N ARG A 98 10.074 8.310 0.064 1.00 0.00 N ATOM 1540 CA ARG A 98 9.671 7.183 -0.769 1.00 0.00 C ATOM 1541 C ARG A 98 10.473 5.934 -0.418 1.00 0.00 C ATOM 1542 O ARG A 98 11.688 5.887 -0.617 1.00 0.00 O ATOM 1543 CB ARG A 98 9.857 7.523 -2.249 1.00 0.00 C ATOM 1544 CG ARG A 98 9.434 6.406 -3.188 1.00 0.00 C ATOM 1545 CD ARG A 98 9.424 6.870 -4.636 1.00 0.00 C ATOM 1546 NE ARG A 98 9.684 5.773 -5.564 1.00 0.00 N ATOM 1547 CZ ARG A 98 10.881 5.223 -5.735 1.00 0.00 C ATOM 1548 NH1 ARG A 98 11.922 5.667 -5.044 1.00 0.00 N ATOM 1549 NH2 ARG A 98 11.039 4.228 -6.599 1.00 0.00 N ATOM 0 H ARG A 98 10.873 8.834 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 98 8.617 6.982 -0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.282 8.419 -2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.905 7.761 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.114 5.561 -3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.441 6.053 -2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.458 7.318 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.176 7.647 -4.773 1.00 0.00 H new ATOM 0 HE ARG A 98 8.904 5.409 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.804 6.432 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.840 5.243 -5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.241 3.885 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.959 3.807 -6.729 1.00 0.00 H new ATOM 1563 N LEU A 99 9.787 4.923 0.104 1.00 0.00 N ATOM 1564 CA LEU A 99 10.435 3.673 0.483 1.00 0.00 C ATOM 1565 C LEU A 99 10.245 2.612 -0.596 1.00 0.00 C ATOM 1566 O LEU A 99 9.238 2.585 -1.304 1.00 0.00 O ATOM 1567 CB LEU A 99 9.876 3.168 1.815 1.00 0.00 C ATOM 1568 CG LEU A 99 10.056 4.100 3.014 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.538 3.442 4.283 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.518 4.491 3.171 1.00 0.00 C ATOM 0 H LEU A 99 8.782 4.945 0.274 1.00 0.00 H new ATOM 0 HA LEU A 99 11.502 3.865 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.811 2.972 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.350 2.214 2.047 1.00 0.00 H new ATOM 0 HG LEU A 99 9.476 5.006 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.674 4.120 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.478 3.214 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.090 2.520 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.627 5.154 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 99 12.120 3.595 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.856 5.004 2.271 1.00 0.00 H new ATOM 1582 N PRO A 100 11.233 1.714 -0.725 1.00 0.00 N ATOM 1583 CA PRO A 100 11.196 0.632 -1.714 1.00 0.00 C ATOM 1584 C PRO A 100 10.148 -0.424 -1.378 1.00 0.00 C ATOM 1585 O PRO A 100 10.345 -1.245 -0.483 1.00 0.00 O ATOM 1586 CB PRO A 100 12.602 0.033 -1.637 1.00 0.00 C ATOM 1587 CG PRO A 100 13.078 0.359 -0.263 1.00 0.00 C ATOM 1588 CD PRO A 100 12.462 1.685 0.085 1.00 0.00 C ATOM 0 HA PRO A 100 10.926 0.995 -2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.583 -1.044 -1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.257 0.462 -2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.775 -0.410 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.166 0.413 -0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.243 1.759 1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.126 2.514 -0.162 1.00 0.00 H new ATOM 1596 N SER A 101 9.034 -0.397 -2.103 1.00 0.00 N ATOM 1597 CA SER A 101 7.954 -1.350 -1.880 1.00 0.00 C ATOM 1598 C SER A 101 8.481 -2.781 -1.889 1.00 0.00 C ATOM 1599 O SER A 101 7.919 -3.665 -1.243 1.00 0.00 O ATOM 1600 CB SER A 101 6.872 -1.187 -2.950 1.00 0.00 C ATOM 1601 OG SER A 101 5.794 -2.079 -2.726 1.00 0.00 O ATOM 0 H SER A 101 8.856 0.275 -2.850 1.00 0.00 H new ATOM 0 HA SER A 101 7.521 -1.147 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.505 -0.161 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.300 -1.370 -3.935 1.00 0.00 H new ATOM 0 HG SER A 101 4.947 -1.622 -2.912 1.00 0.00 H new ATOM 1607 N GLN A 102 9.566 -3.001 -2.625 1.00 0.00 N ATOM 1608 CA GLN A 102 10.169 -4.325 -2.719 1.00 0.00 C ATOM 1609 C GLN A 102 10.422 -4.907 -1.332 1.00 0.00 C ATOM 1610 O GLN A 102 10.270 -6.110 -1.116 1.00 0.00 O ATOM 1611 CB GLN A 102 11.482 -4.256 -3.502 1.00 0.00 C ATOM 1612 CG GLN A 102 12.279 -5.550 -3.469 1.00 0.00 C ATOM 1613 CD GLN A 102 13.740 -5.344 -3.814 1.00 0.00 C ATOM 1614 OE1 GLN A 102 14.541 -4.949 -2.965 1.00 0.00 O ATOM 1615 NE2 GLN A 102 14.097 -5.612 -5.064 1.00 0.00 N ATOM 0 H GLN A 102 10.045 -2.280 -3.164 1.00 0.00 H new ATOM 0 HA GLN A 102 9.473 -4.977 -3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.264 -4.000 -4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.095 -3.451 -3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 102 12.203 -5.994 -2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 102 11.841 -6.260 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 102 13.401 -5.937 -5.735 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.068 -5.493 -5.354 1.00 0.00 H new ATOM 1624 N ARG A 103 10.807 -4.047 -0.395 1.00 0.00 N ATOM 1625 CA ARG A 103 11.082 -4.477 0.971 1.00 0.00 C ATOM 1626 C ARG A 103 9.786 -4.790 1.713 1.00 0.00 C ATOM 1627 O ARG A 103 9.771 -5.596 2.643 1.00 0.00 O ATOM 1628 CB ARG A 103 11.864 -3.397 1.720 1.00 0.00 C ATOM 1629 CG ARG A 103 13.348 -3.382 1.394 1.00 0.00 C ATOM 1630 CD ARG A 103 14.160 -2.764 2.521 1.00 0.00 C ATOM 1631 NE ARG A 103 15.386 -2.138 2.033 1.00 0.00 N ATOM 1632 CZ ARG A 103 16.258 -1.518 2.820 1.00 0.00 C ATOM 1633 NH1 ARG A 103 16.041 -1.442 4.125 1.00 0.00 N ATOM 1634 NH2 ARG A 103 17.351 -0.973 2.301 1.00 0.00 N ATOM 0 H ARG A 103 10.936 -3.048 -0.557 1.00 0.00 H new ATOM 0 HA ARG A 103 11.683 -5.385 0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.439 -2.422 1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.738 -3.547 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.692 -4.400 1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.514 -2.821 0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.554 -2.020 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.412 -3.534 3.251 1.00 0.00 H new ATOM 0 HE ARG A 103 15.583 -2.179 1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.202 -1.860 4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.713 -0.965 4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.522 -1.030 1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.020 -0.497 2.906 1.00 0.00 H new ATOM 1648 N TYR A 104 8.701 -4.146 1.296 1.00 0.00 N ATOM 1649 CA TYR A 104 7.401 -4.353 1.924 1.00 0.00 C ATOM 1650 C TYR A 104 6.528 -5.274 1.077 1.00 0.00 C ATOM 1651 O TYR A 104 5.301 -5.252 1.178 1.00 0.00 O ATOM 1652 CB TYR A 104 6.694 -3.013 2.134 1.00 0.00 C ATOM 1653 CG TYR A 104 7.405 -2.099 3.107 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.127 -2.147 4.467 1.00 0.00 C ATOM 1655 CD2 TYR A 104 8.357 -1.188 2.665 1.00 0.00 C ATOM 1656 CE1 TYR A 104 7.774 -1.314 5.358 1.00 0.00 C ATOM 1657 CE2 TYR A 104 9.010 -0.351 3.549 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.714 -0.418 4.895 1.00 0.00 C ATOM 1659 OH TYR A 104 9.362 0.413 5.780 1.00 0.00 O ATOM 0 H TYR A 104 8.696 -3.477 0.526 1.00 0.00 H new ATOM 0 HA TYR A 104 7.564 -4.826 2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.602 -2.506 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.682 -3.198 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 104 6.392 -2.848 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 104 8.590 -1.133 1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.545 -1.364 6.412 1.00 0.00 H new ATOM 0 HE2 TYR A 104 9.747 0.351 3.189 1.00 0.00 H new ATOM 0 HH TYR A 104 8.729 0.722 6.462 1.00 0.00 H new ATOM 1669 N LEU A 105 7.170 -6.083 0.241 1.00 0.00 N ATOM 1670 CA LEU A 105 6.454 -7.013 -0.624 1.00 0.00 C ATOM 1671 C LEU A 105 5.816 -8.134 0.191 1.00 0.00 C ATOM 1672 O LEU A 105 6.507 -8.886 0.876 1.00 0.00 O ATOM 1673 CB LEU A 105 7.404 -7.604 -1.668 1.00 0.00 C ATOM 1674 CG LEU A 105 7.529 -6.826 -2.978 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.725 -7.318 -3.779 1.00 0.00 C ATOM 1676 CD2 LEU A 105 6.251 -6.947 -3.795 1.00 0.00 C ATOM 0 H LEU A 105 8.185 -6.113 0.144 1.00 0.00 H new ATOM 0 HA LEU A 105 5.663 -6.462 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.395 -7.687 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.073 -8.616 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 105 7.685 -5.774 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.798 -6.753 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.636 -7.178 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.600 -8.376 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.359 -6.387 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.063 -7.996 -4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.414 -6.545 -3.224 1.00 0.00 H new ATOM 1688 N MET A 106 4.494 -8.238 0.109 1.00 0.00 N ATOM 1689 CA MET A 106 3.763 -9.269 0.836 1.00 0.00 C ATOM 1690 C MET A 106 3.758 -10.583 0.060 1.00 0.00 C ATOM 1691 O MET A 106 4.102 -11.634 0.600 1.00 0.00 O ATOM 1692 CB MET A 106 2.326 -8.815 1.101 1.00 0.00 C ATOM 1693 CG MET A 106 1.729 -9.398 2.372 1.00 0.00 C ATOM 1694 SD MET A 106 -0.063 -9.577 2.279 1.00 0.00 S ATOM 1695 CE MET A 106 -0.577 -8.552 3.655 1.00 0.00 C ATOM 0 H MET A 106 3.907 -7.621 -0.453 1.00 0.00 H new ATOM 0 HA MET A 106 4.267 -9.432 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 106 2.303 -7.727 1.164 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.702 -9.098 0.253 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.178 -10.372 2.566 1.00 0.00 H new ATOM 0 HG3 MET A 106 1.983 -8.756 3.216 1.00 0.00 H new ATOM 0 HE1 MET A 106 -1.641 -8.699 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.012 -8.828 4.545 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.391 -7.504 3.418 1.00 0.00 H new