USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 68 ASN : amide:sc= 0.602 X(o=0.55,f=0.17) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.0501 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 CYS SG : rot -69:sc= -5.89! USER MOD Set 3.1: A 28 SER OG : rot -131:sc= 0.499 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.307 K(o=0.19,f=-0.42) USER MOD Single : A 17 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-2.5!) USER MOD Single : A 19 ASN : amide:sc= -0.607 K(o=-0.61,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -1.75 K(o=-1.7,f=-4.5!) USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -0.0187 (180deg=-0.181) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.089) USER MOD Single : A 38 THR OG1 : rot -170:sc= -1.91! USER MOD Single : A 41 SER OG : rot 180:sc= -0.155 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc=-0.00848 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -123:sc= -0.321 (180deg=-2.47) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0957 F(o=-2.2!,f=-0.096) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0177 F(o=-1.3!,f=-0.018) USER MOD Single : A 78 MET CE :methyl 135:sc= -1.58 (180deg=-2.2!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.176 F(o=-1.2!,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.203 11.506 9.516 1.00 0.00 N ATOM 243 CA HIS A 17 -5.832 10.508 8.561 1.00 0.00 C ATOM 244 C HIS A 17 -7.059 9.682 8.185 1.00 0.00 C ATOM 245 O HIS A 17 -8.152 9.929 8.678 1.00 0.00 O ATOM 246 CB HIS A 17 -4.777 9.597 9.181 1.00 0.00 C ATOM 247 CG HIS A 17 -5.267 8.827 10.370 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.609 9.412 11.571 1.00 0.00 N ATOM 249 CD2 HIS A 17 -5.497 7.523 10.512 1.00 0.00 C ATOM 250 CE1 HIS A 17 -6.026 8.485 12.399 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.976 7.319 11.785 1.00 0.00 N ATOM 0 HA HIS A 17 -5.430 10.984 7.667 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.426 8.895 8.424 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.919 10.200 9.478 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.547 10.408 11.782 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.336 6.762 9.762 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.355 8.649 13.414 1.00 0.00 H new ATOM 260 N ILE A 18 -6.873 8.701 7.327 1.00 0.00 N ATOM 261 CA ILE A 18 -7.956 7.801 6.938 1.00 0.00 C ATOM 262 C ILE A 18 -7.501 6.354 7.009 1.00 0.00 C ATOM 263 O ILE A 18 -6.321 6.067 7.211 1.00 0.00 O ATOM 264 CB ILE A 18 -8.520 8.080 5.525 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.411 8.028 4.461 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.256 9.409 5.491 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.930 8.045 3.037 1.00 0.00 C ATOM 0 H ILE A 18 -5.979 8.500 6.879 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.759 7.987 7.651 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.236 7.293 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.742 8.877 4.605 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.818 7.126 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.644 9.584 4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.083 9.385 6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.570 10.212 5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.090 8.006 2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.575 7.182 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.498 8.960 2.868 1.00 0.00 H new ATOM 279 N ASN A 19 -8.435 5.439 6.880 1.00 0.00 N ATOM 280 CA ASN A 19 -8.124 4.023 6.921 1.00 0.00 C ATOM 281 C ASN A 19 -8.070 3.477 5.513 1.00 0.00 C ATOM 282 O ASN A 19 -8.792 3.928 4.646 1.00 0.00 O ATOM 283 CB ASN A 19 -9.184 3.264 7.727 1.00 0.00 C ATOM 284 CG ASN A 19 -9.393 3.850 9.105 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.728 3.471 10.065 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.329 4.772 9.213 1.00 0.00 N ATOM 0 H ASN A 19 -9.424 5.650 6.745 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.156 3.890 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.128 3.278 7.183 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.886 2.220 7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.523 5.198 10.119 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.859 5.059 8.390 1.00 0.00 H new ATOM 293 N LEU A 20 -7.192 2.543 5.274 1.00 0.00 N ATOM 294 CA LEU A 20 -7.080 1.905 3.973 1.00 0.00 C ATOM 295 C LEU A 20 -6.993 0.402 4.126 1.00 0.00 C ATOM 296 O LEU A 20 -6.723 -0.114 5.216 1.00 0.00 O ATOM 297 CB LEU A 20 -5.858 2.425 3.199 1.00 0.00 C ATOM 298 CG LEU A 20 -6.126 3.521 2.152 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.233 3.105 1.196 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.463 4.843 2.812 1.00 0.00 C ATOM 0 H LEU A 20 -6.530 2.196 5.968 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.976 2.154 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.136 2.810 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.387 1.580 2.696 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.210 3.655 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.401 3.898 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.942 2.191 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.150 2.927 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.647 5.596 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.355 4.726 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.630 5.160 3.439 1.00 0.00 H new ATOM 312 N LYS A 21 -7.241 -0.301 3.048 1.00 0.00 N ATOM 313 CA LYS A 21 -7.178 -1.742 3.033 1.00 0.00 C ATOM 314 C LYS A 21 -6.491 -2.210 1.777 1.00 0.00 C ATOM 315 O LYS A 21 -6.596 -1.583 0.729 1.00 0.00 O ATOM 316 CB LYS A 21 -8.582 -2.330 3.096 1.00 0.00 C ATOM 317 CG LYS A 21 -9.285 -2.086 4.412 1.00 0.00 C ATOM 318 CD LYS A 21 -10.777 -2.374 4.322 1.00 0.00 C ATOM 319 CE LYS A 21 -11.067 -3.827 3.961 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.529 -4.087 3.862 1.00 0.00 N ATOM 0 H LYS A 21 -7.494 0.113 2.151 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.612 -2.078 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.181 -1.905 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.525 -3.404 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.840 -2.715 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.133 -1.051 4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.248 -2.138 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.226 -1.720 3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.589 -4.069 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.631 -4.483 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.688 -5.085 3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.981 -3.880 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.941 -3.478 3.126 1.00 0.00 H new ATOM 334 N VAL A 22 -5.787 -3.305 1.867 1.00 0.00 N ATOM 335 CA VAL A 22 -5.101 -3.853 0.713 1.00 0.00 C ATOM 336 C VAL A 22 -5.509 -5.289 0.491 1.00 0.00 C ATOM 337 O VAL A 22 -5.327 -6.144 1.365 1.00 0.00 O ATOM 338 CB VAL A 22 -3.562 -3.769 0.843 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.895 -4.476 -0.310 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.105 -2.326 0.894 1.00 0.00 C ATOM 0 H VAL A 22 -5.669 -3.842 2.726 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.395 -3.246 -0.143 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.276 -4.259 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.813 -4.407 -0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.193 -5.525 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.197 -4.008 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.019 -2.291 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.409 -1.816 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.558 -1.831 1.753 1.00 0.00 H new ATOM 350 N ALA A 23 -6.069 -5.556 -0.668 1.00 0.00 N ATOM 351 CA ALA A 23 -6.492 -6.884 -1.017 1.00 0.00 C ATOM 352 C ALA A 23 -5.409 -7.567 -1.811 1.00 0.00 C ATOM 353 O ALA A 23 -4.989 -7.084 -2.861 1.00 0.00 O ATOM 354 CB ALA A 23 -7.786 -6.848 -1.810 1.00 0.00 C ATOM 0 H ALA A 23 -6.241 -4.857 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.675 -7.446 -0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.086 -7.865 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.566 -6.377 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.636 -6.276 -2.726 1.00 0.00 H new ATOM 360 N GLY A 24 -4.959 -8.685 -1.326 1.00 0.00 N ATOM 361 CA GLY A 24 -3.925 -9.395 -1.990 1.00 0.00 C ATOM 362 C GLY A 24 -4.488 -10.354 -2.998 1.00 0.00 C ATOM 363 O GLY A 24 -5.660 -10.728 -2.922 1.00 0.00 O ATOM 0 H GLY A 24 -5.298 -9.121 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.257 -8.691 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.327 -9.940 -1.260 1.00 0.00 H new ATOM 367 N GLN A 25 -3.667 -10.775 -3.931 1.00 0.00 N ATOM 368 CA GLN A 25 -4.082 -11.727 -4.956 1.00 0.00 C ATOM 369 C GLN A 25 -4.481 -13.069 -4.331 1.00 0.00 C ATOM 370 O GLN A 25 -5.214 -13.857 -4.921 1.00 0.00 O ATOM 371 CB GLN A 25 -2.982 -11.913 -6.017 1.00 0.00 C ATOM 372 CG GLN A 25 -1.538 -11.870 -5.494 1.00 0.00 C ATOM 373 CD GLN A 25 -1.297 -12.729 -4.267 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.360 -12.245 -3.135 1.00 0.00 O ATOM 375 NE2 GLN A 25 -1.076 -14.002 -4.474 1.00 0.00 N ATOM 0 H GLN A 25 -2.695 -10.474 -4.008 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.960 -11.319 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.141 -12.870 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.098 -11.137 -6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.866 -12.194 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.279 -10.838 -5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.031 -14.364 -5.427 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.949 -14.633 -3.683 1.00 0.00 H new ATOM 384 N ASP A 26 -3.996 -13.305 -3.119 1.00 0.00 N ATOM 385 CA ASP A 26 -4.293 -14.515 -2.363 1.00 0.00 C ATOM 386 C ASP A 26 -5.741 -14.500 -1.878 1.00 0.00 C ATOM 387 O ASP A 26 -6.301 -15.527 -1.507 1.00 0.00 O ATOM 388 CB ASP A 26 -3.331 -14.614 -1.170 1.00 0.00 C ATOM 389 CG ASP A 26 -3.550 -15.844 -0.314 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.028 -16.917 -0.662 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.224 -15.735 0.732 1.00 0.00 O ATOM 0 H ASP A 26 -3.380 -12.656 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.161 -15.384 -3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.306 -14.617 -1.540 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.443 -13.725 -0.549 1.00 0.00 H new ATOM 396 N GLY A 27 -6.354 -13.325 -1.904 1.00 0.00 N ATOM 397 CA GLY A 27 -7.734 -13.192 -1.454 1.00 0.00 C ATOM 398 C GLY A 27 -7.838 -12.681 -0.028 1.00 0.00 C ATOM 399 O GLY A 27 -8.908 -12.698 0.577 1.00 0.00 O ATOM 0 H GLY A 27 -5.924 -12.458 -2.228 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.265 -12.511 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.230 -14.160 -1.526 1.00 0.00 H new ATOM 403 N SER A 28 -6.727 -12.223 0.512 1.00 0.00 N ATOM 404 CA SER A 28 -6.680 -11.711 1.860 1.00 0.00 C ATOM 405 C SER A 28 -6.672 -10.209 1.827 1.00 0.00 C ATOM 406 O SER A 28 -6.296 -9.607 0.827 1.00 0.00 O ATOM 407 CB SER A 28 -5.433 -12.237 2.583 1.00 0.00 C ATOM 408 OG SER A 28 -5.271 -11.640 3.863 1.00 0.00 O ATOM 0 H SER A 28 -5.831 -12.197 0.025 1.00 0.00 H new ATOM 0 HA SER A 28 -7.561 -12.050 2.404 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.507 -13.319 2.694 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.550 -12.038 1.975 1.00 0.00 H new ATOM 0 HG SER A 28 -4.349 -11.323 3.962 1.00 0.00 H new ATOM 414 N VAL A 29 -7.078 -9.597 2.903 1.00 0.00 N ATOM 415 CA VAL A 29 -7.104 -8.163 2.964 1.00 0.00 C ATOM 416 C VAL A 29 -6.640 -7.671 4.330 1.00 0.00 C ATOM 417 O VAL A 29 -6.983 -8.249 5.368 1.00 0.00 O ATOM 418 CB VAL A 29 -8.513 -7.589 2.636 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.513 -7.889 3.750 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.442 -6.092 2.369 1.00 0.00 C ATOM 0 H VAL A 29 -7.396 -10.068 3.750 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.414 -7.799 2.203 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.864 -8.084 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.486 -7.474 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.602 -8.968 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.166 -7.440 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.439 -5.715 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.054 -5.583 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.782 -5.904 1.522 1.00 0.00 H new ATOM 430 N VAL A 30 -5.834 -6.639 4.334 1.00 0.00 N ATOM 431 CA VAL A 30 -5.354 -6.055 5.566 1.00 0.00 C ATOM 432 C VAL A 30 -5.999 -4.693 5.779 1.00 0.00 C ATOM 433 O VAL A 30 -6.240 -3.955 4.821 1.00 0.00 O ATOM 434 CB VAL A 30 -3.808 -5.905 5.553 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.356 -4.979 4.435 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.296 -5.413 6.900 1.00 0.00 C ATOM 0 H VAL A 30 -5.492 -6.180 3.489 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.626 -6.722 6.384 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.381 -6.891 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.270 -4.893 4.451 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.674 -5.385 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.800 -3.994 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.211 -5.317 6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.739 -4.443 7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.571 -6.127 7.677 1.00 0.00 H new ATOM 446 N GLN A 31 -6.316 -4.372 7.019 1.00 0.00 N ATOM 447 CA GLN A 31 -6.906 -3.099 7.352 1.00 0.00 C ATOM 448 C GLN A 31 -5.925 -2.285 8.181 1.00 0.00 C ATOM 449 O GLN A 31 -5.403 -2.751 9.198 1.00 0.00 O ATOM 450 CB GLN A 31 -8.199 -3.323 8.097 1.00 0.00 C ATOM 451 CG GLN A 31 -9.032 -4.426 7.470 1.00 0.00 C ATOM 452 CD GLN A 31 -10.377 -4.581 8.095 1.00 0.00 C ATOM 453 OE1 GLN A 31 -11.336 -3.874 7.571 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -10.553 -5.340 9.042 1.00 0.00 N flip ATOM 0 H GLN A 31 -6.170 -4.988 7.819 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.128 -2.541 6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.981 -3.578 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.774 -2.397 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.155 -4.218 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.492 -5.369 7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.770 -5.874 9.420 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.482 -5.437 9.452 1.00 0.00 H new ATOM 463 N PHE A 32 -5.669 -1.083 7.746 1.00 0.00 N ATOM 464 CA PHE A 32 -4.661 -0.237 8.365 1.00 0.00 C ATOM 465 C PHE A 32 -4.996 1.231 8.211 1.00 0.00 C ATOM 466 O PHE A 32 -5.894 1.604 7.465 1.00 0.00 O ATOM 467 CB PHE A 32 -3.282 -0.525 7.766 1.00 0.00 C ATOM 468 CG PHE A 32 -3.243 -0.398 6.268 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.813 -1.373 5.463 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.660 0.700 5.668 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.800 -1.253 4.099 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.647 0.823 4.307 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.219 -0.152 3.517 1.00 0.00 C ATOM 0 H PHE A 32 -6.147 -0.653 6.954 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.645 -0.469 9.430 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.555 0.161 8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.976 -1.533 8.046 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.273 -2.238 5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.210 1.468 6.279 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.245 -2.021 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.187 1.686 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.210 -0.050 2.442 1.00 0.00 H new ATOM 483 N LYS A 33 -4.279 2.062 8.925 1.00 0.00 N ATOM 484 CA LYS A 33 -4.517 3.486 8.894 1.00 0.00 C ATOM 485 C LYS A 33 -3.348 4.213 8.243 1.00 0.00 C ATOM 486 O LYS A 33 -2.194 3.829 8.414 1.00 0.00 O ATOM 487 CB LYS A 33 -4.727 4.001 10.310 1.00 0.00 C ATOM 488 CG LYS A 33 -5.636 3.117 11.142 1.00 0.00 C ATOM 489 CD LYS A 33 -5.986 3.766 12.470 1.00 0.00 C ATOM 490 CE LYS A 33 -4.742 4.053 13.297 1.00 0.00 C ATOM 491 NZ LYS A 33 -3.959 2.819 13.579 1.00 0.00 N ATOM 0 H LYS A 33 -3.518 1.775 9.541 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.412 3.678 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.760 4.084 10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.150 5.005 10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.550 2.909 10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.148 2.159 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.527 4.695 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.654 3.112 13.031 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.112 4.768 12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.033 4.520 14.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.220 3.029 14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.592 2.084 13.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.517 2.480 12.701 1.00 0.00 H new ATOM 505 N ILE A 34 -3.644 5.251 7.484 1.00 0.00 N ATOM 506 CA ILE A 34 -2.614 6.044 6.835 1.00 0.00 C ATOM 507 C ILE A 34 -3.065 7.502 6.718 1.00 0.00 C ATOM 508 O ILE A 34 -4.257 7.791 6.575 1.00 0.00 O ATOM 509 CB ILE A 34 -2.246 5.473 5.431 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.123 6.297 4.784 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.470 5.429 4.531 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.604 5.718 3.484 1.00 0.00 C ATOM 0 H ILE A 34 -4.596 5.567 7.300 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.718 5.997 7.454 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.884 4.453 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.488 7.307 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.296 6.380 5.489 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.191 5.028 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.230 4.791 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.868 6.436 4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.186 6.357 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.207 4.719 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.418 5.660 2.761 1.00 0.00 H new ATOM 524 N LYS A 35 -2.131 8.427 6.811 1.00 0.00 N ATOM 525 CA LYS A 35 -2.463 9.836 6.741 1.00 0.00 C ATOM 526 C LYS A 35 -2.560 10.289 5.313 1.00 0.00 C ATOM 527 O LYS A 35 -1.995 9.675 4.416 1.00 0.00 O ATOM 528 CB LYS A 35 -1.442 10.674 7.479 1.00 0.00 C ATOM 529 CG LYS A 35 -1.120 10.161 8.861 1.00 0.00 C ATOM 530 CD LYS A 35 -0.523 11.264 9.730 1.00 0.00 C ATOM 531 CE LYS A 35 0.765 11.815 9.124 1.00 0.00 C ATOM 532 NZ LYS A 35 1.276 12.994 9.865 1.00 0.00 N ATOM 0 H LYS A 35 -1.138 8.229 6.935 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.433 9.971 7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.524 10.712 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.813 11.696 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.025 9.775 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.418 9.330 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.247 12.071 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.320 10.874 10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.525 11.034 9.120 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.586 12.091 8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.151 13.333 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.563 13.751 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.473 12.726 10.850 1.00 0.00 H new ATOM 546 N ARG A 36 -3.262 11.381 5.098 1.00 0.00 N ATOM 547 CA ARG A 36 -3.462 11.916 3.769 1.00 0.00 C ATOM 548 C ARG A 36 -2.139 12.386 3.179 1.00 0.00 C ATOM 549 O ARG A 36 -1.858 12.177 2.001 1.00 0.00 O ATOM 550 CB ARG A 36 -4.468 13.083 3.809 1.00 0.00 C ATOM 551 CG ARG A 36 -5.738 12.801 4.612 1.00 0.00 C ATOM 552 CD ARG A 36 -6.371 11.464 4.238 1.00 0.00 C ATOM 553 NE ARG A 36 -6.680 11.356 2.800 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.898 11.568 2.255 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.914 11.955 3.019 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.087 11.392 0.948 1.00 0.00 N ATOM 0 H ARG A 36 -3.709 11.922 5.838 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.865 11.125 3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.973 13.958 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.749 13.338 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.501 12.804 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.458 13.602 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.696 10.657 4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.287 11.329 4.812 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.918 11.103 2.171 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.776 12.093 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.832 12.114 2.604 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.311 11.096 0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.008 11.553 0.540 1.00 0.00 H new ATOM 570 N HIS A 37 -1.303 12.989 4.013 1.00 0.00 N ATOM 571 CA HIS A 37 -0.016 13.515 3.568 1.00 0.00 C ATOM 572 C HIS A 37 1.080 12.460 3.730 1.00 0.00 C ATOM 573 O HIS A 37 2.263 12.731 3.529 1.00 0.00 O ATOM 574 CB HIS A 37 0.333 14.775 4.374 1.00 0.00 C ATOM 575 CG HIS A 37 1.468 15.584 3.807 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.345 16.305 4.589 1.00 0.00 N ATOM 577 CD2 HIS A 37 1.853 15.798 2.526 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.213 16.923 3.818 1.00 0.00 C ATOM 579 NE2 HIS A 37 2.940 16.633 2.562 1.00 0.00 N ATOM 0 H HIS A 37 -1.492 13.127 5.006 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.086 13.774 2.512 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.552 15.408 4.436 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.586 14.481 5.392 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.390 15.387 1.641 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.015 17.561 4.158 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.453 16.974 1.749 1.00 0.00 H new ATOM 588 N THR A 38 0.682 11.263 4.088 1.00 0.00 N ATOM 589 CA THR A 38 1.614 10.181 4.285 1.00 0.00 C ATOM 590 C THR A 38 1.758 9.347 3.012 1.00 0.00 C ATOM 591 O THR A 38 0.765 8.944 2.412 1.00 0.00 O ATOM 592 CB THR A 38 1.192 9.291 5.478 1.00 0.00 C ATOM 593 OG1 THR A 38 1.422 9.997 6.701 1.00 0.00 O ATOM 594 CG2 THR A 38 1.970 7.988 5.493 1.00 0.00 C ATOM 0 H THR A 38 -0.293 11.013 4.250 1.00 0.00 H new ATOM 0 HA THR A 38 2.585 10.617 4.518 1.00 0.00 H new ATOM 0 HB THR A 38 0.133 9.056 5.373 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.307 9.386 7.458 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.652 7.384 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.783 7.442 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.035 8.201 5.579 1.00 0.00 H new ATOM 602 N PRO A 39 3.005 9.095 2.582 1.00 0.00 N ATOM 603 CA PRO A 39 3.288 8.327 1.363 1.00 0.00 C ATOM 604 C PRO A 39 2.854 6.866 1.467 1.00 0.00 C ATOM 605 O PRO A 39 2.829 6.274 2.557 1.00 0.00 O ATOM 606 CB PRO A 39 4.810 8.416 1.230 1.00 0.00 C ATOM 607 CG PRO A 39 5.299 8.706 2.605 1.00 0.00 C ATOM 608 CD PRO A 39 4.241 9.540 3.251 1.00 0.00 C ATOM 0 HA PRO A 39 2.742 8.723 0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.228 7.484 0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.100 9.203 0.534 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.464 7.784 3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.251 9.236 2.577 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.198 9.373 4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.420 10.605 3.100 1.00 0.00 H new ATOM 616 N LEU A 40 2.515 6.281 0.323 1.00 0.00 N ATOM 617 CA LEU A 40 2.095 4.884 0.236 1.00 0.00 C ATOM 618 C LEU A 40 3.211 3.918 0.630 1.00 0.00 C ATOM 619 O LEU A 40 2.975 2.728 0.789 1.00 0.00 O ATOM 620 CB LEU A 40 1.601 4.565 -1.176 1.00 0.00 C ATOM 621 CG LEU A 40 0.329 5.286 -1.607 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.083 5.097 -3.089 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.864 4.802 -0.812 1.00 0.00 C ATOM 0 H LEU A 40 2.523 6.764 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 40 1.280 4.749 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.394 4.810 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.431 3.491 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 40 0.464 6.349 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.830 5.619 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.925 5.501 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.023 4.034 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.758 5.332 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.998 3.732 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.696 4.993 0.248 1.00 0.00 H new ATOM 635 N SER A 41 4.432 4.425 0.753 1.00 0.00 N ATOM 636 CA SER A 41 5.579 3.610 1.148 1.00 0.00 C ATOM 637 C SER A 41 5.287 2.818 2.425 1.00 0.00 C ATOM 638 O SER A 41 5.571 1.617 2.507 1.00 0.00 O ATOM 639 CB SER A 41 6.801 4.503 1.342 1.00 0.00 C ATOM 640 OG SER A 41 6.439 5.706 1.995 1.00 0.00 O ATOM 0 H SER A 41 4.656 5.406 0.584 1.00 0.00 H new ATOM 0 HA SER A 41 5.780 2.891 0.354 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.554 3.976 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.251 4.729 0.375 1.00 0.00 H new ATOM 0 HG SER A 41 7.234 6.266 2.113 1.00 0.00 H new ATOM 672 N LEU A 43 2.296 2.198 3.561 1.00 0.00 N ATOM 673 CA LEU A 43 1.161 1.348 3.218 1.00 0.00 C ATOM 674 C LEU A 43 1.649 0.042 2.597 1.00 0.00 C ATOM 675 O LEU A 43 1.233 -1.051 2.997 1.00 0.00 O ATOM 676 CB LEU A 43 0.206 2.114 2.262 1.00 0.00 C ATOM 677 CG LEU A 43 -0.868 1.290 1.530 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.061 2.163 1.184 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.305 0.693 0.251 1.00 0.00 C ATOM 0 HA LEU A 43 0.607 1.095 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.298 2.889 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.814 2.619 1.511 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.184 0.486 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.811 1.565 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.490 2.572 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.739 2.980 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.080 0.114 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.034 1.494 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.535 0.042 0.492 1.00 0.00 H new ATOM 691 N MET A 44 2.548 0.161 1.626 1.00 0.00 N ATOM 692 CA MET A 44 3.127 -0.994 0.954 1.00 0.00 C ATOM 693 C MET A 44 3.884 -1.859 1.941 1.00 0.00 C ATOM 694 O MET A 44 3.793 -3.086 1.916 1.00 0.00 O ATOM 695 CB MET A 44 4.063 -0.538 -0.169 1.00 0.00 C ATOM 696 CG MET A 44 3.360 -0.217 -1.477 1.00 0.00 C ATOM 697 SD MET A 44 4.353 0.797 -2.575 1.00 0.00 S ATOM 698 CE MET A 44 3.227 0.990 -3.953 1.00 0.00 C ATOM 0 H MET A 44 2.894 1.058 1.284 1.00 0.00 H new ATOM 0 HA MET A 44 2.318 -1.584 0.523 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.607 0.346 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.802 -1.318 -0.349 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.103 -1.148 -1.983 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.424 0.298 -1.263 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.697 1.599 -4.725 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.982 0.010 -4.363 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.314 1.478 -3.611 1.00 0.00 H new ATOM 708 N LYS A 45 4.623 -1.215 2.828 1.00 0.00 N ATOM 709 CA LYS A 45 5.394 -1.919 3.831 1.00 0.00 C ATOM 710 C LYS A 45 4.484 -2.605 4.849 1.00 0.00 C ATOM 711 O LYS A 45 4.714 -3.744 5.219 1.00 0.00 O ATOM 712 CB LYS A 45 6.372 -0.959 4.524 1.00 0.00 C ATOM 713 CG LYS A 45 7.138 -1.559 5.706 1.00 0.00 C ATOM 714 CD LYS A 45 7.970 -2.777 5.319 1.00 0.00 C ATOM 715 CE LYS A 45 9.070 -2.431 4.328 1.00 0.00 C ATOM 716 NZ LYS A 45 9.925 -3.603 4.021 1.00 0.00 N ATOM 0 H LYS A 45 4.704 -0.199 2.871 1.00 0.00 H new ATOM 0 HA LYS A 45 5.971 -2.697 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.092 -0.603 3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.817 -0.089 4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.793 -0.799 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.430 -1.842 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.414 -3.211 6.215 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.319 -3.537 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.624 -2.055 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.686 -1.629 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.663 -3.326 3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.371 -3.946 4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.342 -4.360 3.610 1.00 0.00 H new ATOM 730 N ALA A 46 3.427 -1.925 5.268 1.00 0.00 N ATOM 731 CA ALA A 46 2.517 -2.480 6.265 1.00 0.00 C ATOM 732 C ALA A 46 1.894 -3.776 5.771 1.00 0.00 C ATOM 733 O ALA A 46 1.876 -4.790 6.482 1.00 0.00 O ATOM 734 CB ALA A 46 1.439 -1.478 6.631 1.00 0.00 C ATOM 0 H ALA A 46 3.177 -0.993 4.937 1.00 0.00 H new ATOM 0 HA ALA A 46 3.098 -2.700 7.161 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.774 -1.915 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.901 -0.580 7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.866 -1.218 5.741 1.00 0.00 H new ATOM 740 N TYR A 47 1.402 -3.761 4.541 1.00 0.00 N ATOM 741 CA TYR A 47 0.817 -4.945 3.954 1.00 0.00 C ATOM 742 C TYR A 47 1.870 -6.034 3.774 1.00 0.00 C ATOM 743 O TYR A 47 1.614 -7.226 4.020 1.00 0.00 O ATOM 744 CB TYR A 47 0.175 -4.610 2.603 1.00 0.00 C ATOM 745 CG TYR A 47 -0.152 -5.833 1.773 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.328 -6.536 1.974 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.725 -6.288 0.799 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.623 -7.656 1.229 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.438 -7.406 0.048 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.738 -8.087 0.266 1.00 0.00 C ATOM 751 OH TYR A 47 -1.025 -9.204 -0.476 1.00 0.00 O ATOM 0 H TYR A 47 1.399 -2.940 3.935 1.00 0.00 H new ATOM 0 HA TYR A 47 0.046 -5.314 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.739 -4.041 2.774 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.849 -3.966 2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.025 -6.200 2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.649 -5.756 0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.544 -8.194 1.399 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.131 -7.746 -0.707 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.298 -9.370 -1.111 1.00 0.00 H new ATOM 761 N CYS A 48 3.060 -5.619 3.357 1.00 0.00 N ATOM 762 CA CYS A 48 4.158 -6.537 3.086 1.00 0.00 C ATOM 763 C CYS A 48 4.551 -7.316 4.339 1.00 0.00 C ATOM 764 O CYS A 48 4.884 -8.501 4.281 1.00 0.00 O ATOM 765 CB CYS A 48 5.366 -5.759 2.530 1.00 0.00 C ATOM 766 SG CYS A 48 6.633 -5.342 3.735 1.00 0.00 S ATOM 0 H CYS A 48 3.290 -4.638 3.198 1.00 0.00 H new ATOM 0 HA CYS A 48 3.826 -7.259 2.340 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.823 -6.350 1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.005 -4.837 2.074 1.00 0.00 H new ATOM 0 HG CYS A 48 6.169 -4.452 4.562 1.00 0.00 H new ATOM 772 N GLU A 49 4.490 -6.647 5.471 1.00 0.00 N ATOM 773 CA GLU A 49 4.861 -7.237 6.742 1.00 0.00 C ATOM 774 C GLU A 49 3.798 -8.209 7.229 1.00 0.00 C ATOM 775 O GLU A 49 4.106 -9.273 7.767 1.00 0.00 O ATOM 776 CB GLU A 49 5.084 -6.134 7.758 1.00 0.00 C ATOM 777 CG GLU A 49 6.168 -5.167 7.334 1.00 0.00 C ATOM 778 CD GLU A 49 7.562 -5.694 7.575 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.070 -5.541 8.707 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.159 -6.262 6.636 1.00 0.00 O ATOM 0 H GLU A 49 4.181 -5.677 5.537 1.00 0.00 H new ATOM 0 HA GLU A 49 5.784 -7.803 6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.152 -5.588 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.351 -6.577 8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.050 -4.941 6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.042 -4.230 7.876 1.00 0.00 H new ATOM 787 N ARG A 50 2.536 -7.845 7.036 1.00 0.00 N ATOM 788 CA ARG A 50 1.418 -8.685 7.458 1.00 0.00 C ATOM 789 C ARG A 50 1.398 -10.005 6.702 1.00 0.00 C ATOM 790 O ARG A 50 1.245 -11.072 7.289 1.00 0.00 O ATOM 791 CB ARG A 50 0.095 -7.963 7.233 1.00 0.00 C ATOM 792 CG ARG A 50 -0.091 -6.723 8.079 1.00 0.00 C ATOM 793 CD ARG A 50 -0.151 -7.065 9.559 1.00 0.00 C ATOM 794 NE ARG A 50 -0.583 -5.927 10.373 1.00 0.00 N ATOM 795 CZ ARG A 50 -1.452 -6.013 11.385 1.00 0.00 C ATOM 796 NH1 ARG A 50 -2.010 -7.180 11.688 1.00 0.00 N ATOM 797 NH2 ARG A 50 -1.769 -4.930 12.089 1.00 0.00 N ATOM 0 H ARG A 50 2.259 -6.971 6.589 1.00 0.00 H new ATOM 0 HA ARG A 50 1.550 -8.891 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.021 -7.685 6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.722 -8.655 7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.731 -6.030 7.897 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.009 -6.214 7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.837 -7.899 9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.832 -7.396 9.894 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.196 -5.009 10.154 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.776 -8.013 11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.673 -7.243 12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.349 -4.030 11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.433 -4.999 12.861 1.00 0.00 H new ATOM 811 N GLN A 51 1.555 -9.931 5.395 1.00 0.00 N ATOM 812 CA GLN A 51 1.502 -11.119 4.557 1.00 0.00 C ATOM 813 C GLN A 51 2.820 -11.876 4.551 1.00 0.00 C ATOM 814 O GLN A 51 2.871 -13.040 4.163 1.00 0.00 O ATOM 815 CB GLN A 51 1.086 -10.759 3.128 1.00 0.00 C ATOM 816 CG GLN A 51 -0.391 -11.008 2.825 1.00 0.00 C ATOM 817 CD GLN A 51 -1.346 -10.212 3.710 1.00 0.00 C ATOM 818 OE1 GLN A 51 -2.449 -10.669 4.023 1.00 0.00 O ATOM 819 NE2 GLN A 51 -0.945 -9.014 4.103 1.00 0.00 N ATOM 0 H GLN A 51 1.720 -9.062 4.888 1.00 0.00 H new ATOM 0 HA GLN A 51 0.749 -11.779 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.310 -9.707 2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.691 -11.336 2.429 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.585 -10.759 1.782 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.602 -12.071 2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.027 -8.667 3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.554 -8.437 4.683 1.00 0.00 H new ATOM 828 N GLY A 52 3.888 -11.225 4.985 1.00 0.00 N ATOM 829 CA GLY A 52 5.178 -11.883 5.001 1.00 0.00 C ATOM 830 C GLY A 52 5.746 -12.024 3.608 1.00 0.00 C ATOM 831 O GLY A 52 6.046 -13.127 3.150 1.00 0.00 O ATOM 0 H GLY A 52 3.886 -10.263 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.870 -11.314 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.079 -12.869 5.456 1.00 0.00 H new ATOM 835 N LEU A 53 5.895 -10.906 2.929 1.00 0.00 N ATOM 836 CA LEU A 53 6.376 -10.895 1.568 1.00 0.00 C ATOM 837 C LEU A 53 7.183 -9.633 1.305 1.00 0.00 C ATOM 838 O LEU A 53 7.283 -8.758 2.167 1.00 0.00 O ATOM 839 CB LEU A 53 5.209 -11.063 0.561 1.00 0.00 C ATOM 840 CG LEU A 53 3.979 -10.164 0.761 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.284 -8.725 0.398 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.807 -10.679 -0.058 1.00 0.00 C ATOM 0 H LEU A 53 5.686 -9.982 3.306 1.00 0.00 H new ATOM 0 HA LEU A 53 7.039 -11.748 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.599 -10.886 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.879 -12.101 0.596 1.00 0.00 H new ATOM 0 HG LEU A 53 3.711 -10.194 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.394 -8.115 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.091 -8.354 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.587 -8.670 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.944 -10.031 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.075 -10.683 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.560 -11.693 0.257 1.00 0.00 H new ATOM 854 N SER A 54 7.760 -9.530 0.129 1.00 0.00 N ATOM 855 CA SER A 54 8.556 -8.375 -0.223 1.00 0.00 C ATOM 856 C SER A 54 7.757 -7.403 -1.082 1.00 0.00 C ATOM 857 O SER A 54 7.119 -7.802 -2.058 1.00 0.00 O ATOM 858 CB SER A 54 9.816 -8.823 -0.952 1.00 0.00 C ATOM 859 OG SER A 54 10.692 -9.504 -0.071 1.00 0.00 O ATOM 0 H SER A 54 7.692 -10.236 -0.604 1.00 0.00 H new ATOM 0 HA SER A 54 8.839 -7.854 0.692 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.548 -9.476 -1.783 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.322 -7.957 -1.378 1.00 0.00 H new ATOM 0 HG SER A 54 11.494 -9.785 -0.559 1.00 0.00 H new ATOM 865 N MET A 55 7.797 -6.113 -0.726 1.00 0.00 N ATOM 866 CA MET A 55 7.073 -5.081 -1.477 1.00 0.00 C ATOM 867 C MET A 55 7.610 -4.960 -2.903 1.00 0.00 C ATOM 868 O MET A 55 6.899 -4.558 -3.818 1.00 0.00 O ATOM 869 CB MET A 55 7.135 -3.708 -0.770 1.00 0.00 C ATOM 870 CG MET A 55 8.547 -3.201 -0.487 1.00 0.00 C ATOM 871 SD MET A 55 8.670 -1.397 -0.510 1.00 0.00 S ATOM 872 CE MET A 55 7.535 -0.947 0.799 1.00 0.00 C ATOM 0 H MET A 55 8.321 -5.760 0.075 1.00 0.00 H new ATOM 0 HA MET A 55 6.029 -5.393 -1.520 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.616 -2.973 -1.386 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.592 -3.775 0.172 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.871 -3.569 0.487 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.231 -3.615 -1.228 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.771 -0.278 0.404 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.061 -1.845 1.195 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.081 -0.443 1.597 1.00 0.00 H new ATOM 882 N ARG A 56 8.865 -5.326 -3.090 1.00 0.00 N ATOM 883 CA ARG A 56 9.498 -5.264 -4.401 1.00 0.00 C ATOM 884 C ARG A 56 9.006 -6.396 -5.313 1.00 0.00 C ATOM 885 O ARG A 56 9.236 -6.382 -6.516 1.00 0.00 O ATOM 886 CB ARG A 56 11.018 -5.336 -4.248 1.00 0.00 C ATOM 887 CG ARG A 56 11.510 -6.639 -3.645 1.00 0.00 C ATOM 888 CD ARG A 56 12.978 -6.570 -3.265 1.00 0.00 C ATOM 889 NE ARG A 56 13.833 -6.285 -4.412 1.00 0.00 N ATOM 890 CZ ARG A 56 14.430 -7.217 -5.160 1.00 0.00 C ATOM 891 NH1 ARG A 56 14.232 -8.512 -4.907 1.00 0.00 N ATOM 892 NH2 ARG A 56 15.222 -6.851 -6.164 1.00 0.00 N ATOM 0 H ARG A 56 9.472 -5.672 -2.347 1.00 0.00 H new ATOM 0 HA ARG A 56 9.224 -4.317 -4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.479 -5.202 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.351 -4.508 -3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.917 -6.876 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.358 -7.449 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.119 -5.798 -2.508 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.280 -7.516 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 56 13.985 -5.307 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.622 -8.794 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.690 -9.220 -5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.372 -5.861 -6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.679 -7.560 -6.737 1.00 0.00 H new ATOM 906 N GLN A 57 8.336 -7.381 -4.732 1.00 0.00 N ATOM 907 CA GLN A 57 7.847 -8.533 -5.490 1.00 0.00 C ATOM 908 C GLN A 57 6.359 -8.433 -5.747 1.00 0.00 C ATOM 909 O GLN A 57 5.734 -9.370 -6.252 1.00 0.00 O ATOM 910 CB GLN A 57 8.148 -9.814 -4.727 1.00 0.00 C ATOM 911 CG GLN A 57 9.609 -9.977 -4.387 1.00 0.00 C ATOM 912 CD GLN A 57 10.481 -10.151 -5.612 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.910 -9.046 -6.187 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.747 -11.269 -6.052 1.00 0.00 N flip ATOM 0 H GLN A 57 8.116 -7.409 -3.736 1.00 0.00 H new ATOM 0 HA GLN A 57 8.358 -8.546 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.564 -9.826 -3.806 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.823 -10.668 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.947 -9.105 -3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.731 -10.841 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.396 -12.101 -5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.319 -11.364 -6.891 1.00 0.00 H new ATOM 923 N ILE A 58 5.780 -7.312 -5.397 1.00 0.00 N ATOM 924 CA ILE A 58 4.363 -7.118 -5.573 1.00 0.00 C ATOM 925 C ILE A 58 4.067 -5.771 -6.205 1.00 0.00 C ATOM 926 O ILE A 58 4.954 -4.926 -6.350 1.00 0.00 O ATOM 927 CB ILE A 58 3.597 -7.244 -4.235 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.232 -6.361 -3.178 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.576 -8.685 -3.762 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.421 -6.265 -1.910 1.00 0.00 C ATOM 0 H ILE A 58 6.270 -6.517 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 58 4.019 -7.906 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 58 2.570 -6.917 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.222 -6.749 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.372 -5.361 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.032 -8.751 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.083 -9.306 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.598 -9.035 -3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.934 -5.618 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.439 -5.849 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.303 -7.259 -1.478 1.00 0.00 H new ATOM 942 N ARG A 59 2.825 -5.575 -6.590 1.00 0.00 N ATOM 943 CA ARG A 59 2.387 -4.341 -7.207 1.00 0.00 C ATOM 944 C ARG A 59 1.043 -3.927 -6.659 1.00 0.00 C ATOM 945 O ARG A 59 0.166 -4.770 -6.438 1.00 0.00 O ATOM 946 CB ARG A 59 2.318 -4.489 -8.726 1.00 0.00 C ATOM 947 CG ARG A 59 3.658 -4.355 -9.414 1.00 0.00 C ATOM 948 CD ARG A 59 4.091 -2.900 -9.483 1.00 0.00 C ATOM 949 NE ARG A 59 3.408 -2.173 -10.558 1.00 0.00 N ATOM 950 CZ ARG A 59 3.967 -1.193 -11.280 1.00 0.00 C ATOM 951 NH1 ARG A 59 5.222 -0.814 -11.040 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.274 -0.601 -12.245 1.00 0.00 N ATOM 0 H ARG A 59 2.086 -6.270 -6.484 1.00 0.00 H new ATOM 0 HA ARG A 59 3.115 -3.565 -6.971 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.892 -5.463 -8.968 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.639 -3.736 -9.125 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.407 -4.936 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.597 -4.768 -10.421 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.884 -2.415 -8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.169 -2.850 -9.639 1.00 0.00 H new ATOM 0 HE ARG A 59 2.444 -2.431 -10.770 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.761 -1.271 -10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.644 -0.067 -11.592 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.316 -0.892 -12.437 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.700 0.145 -12.795 1.00 0.00 H new ATOM 966 N PHE A 60 0.880 -2.633 -6.438 1.00 0.00 N ATOM 967 CA PHE A 60 -0.358 -2.095 -5.891 1.00 0.00 C ATOM 968 C PHE A 60 -1.122 -1.323 -6.957 1.00 0.00 C ATOM 969 O PHE A 60 -0.548 -0.485 -7.670 1.00 0.00 O ATOM 970 CB PHE A 60 -0.084 -1.175 -4.675 1.00 0.00 C ATOM 971 CG PHE A 60 0.432 -1.884 -3.455 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.650 -2.538 -3.474 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.299 -1.882 -2.282 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.125 -3.177 -2.349 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.170 -2.522 -1.154 1.00 0.00 C ATOM 976 CZ PHE A 60 1.383 -3.168 -1.186 1.00 0.00 C ATOM 0 H PHE A 60 1.594 -1.930 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.962 -2.938 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.638 -0.413 -4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.006 -0.656 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.236 -2.548 -4.381 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.251 -1.372 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.078 -3.685 -2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.415 -2.516 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.754 -3.667 -0.303 1.00 0.00 H new ATOM 986 N ARG A 61 -2.407 -1.605 -7.087 1.00 0.00 N ATOM 987 CA ARG A 61 -3.237 -0.904 -8.048 1.00 0.00 C ATOM 988 C ARG A 61 -4.532 -0.423 -7.403 1.00 0.00 C ATOM 989 O ARG A 61 -5.130 -1.112 -6.579 1.00 0.00 O ATOM 990 CB ARG A 61 -3.508 -1.778 -9.297 1.00 0.00 C ATOM 991 CG ARG A 61 -4.534 -2.892 -9.124 1.00 0.00 C ATOM 992 CD ARG A 61 -5.952 -2.407 -9.412 1.00 0.00 C ATOM 993 NE ARG A 61 -6.868 -3.516 -9.671 1.00 0.00 N ATOM 994 CZ ARG A 61 -8.197 -3.439 -9.570 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.770 -2.331 -9.115 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.947 -4.485 -9.887 1.00 0.00 N ATOM 0 H ARG A 61 -2.896 -2.313 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.692 -0.022 -8.384 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.841 -1.127 -10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.566 -2.225 -9.614 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.290 -3.718 -9.792 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.482 -3.279 -8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.316 -1.827 -8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.939 -1.739 -10.273 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.464 -4.411 -9.948 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.194 -1.535 -8.841 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.786 -2.276 -9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.509 -5.348 -10.208 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.962 -4.427 -9.810 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.953 0.761 -7.775 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.153 1.366 -7.248 1.00 0.00 C ATOM 1012 C PHE A 62 -6.873 2.109 -8.355 1.00 0.00 C ATOM 1013 O PHE A 62 -6.242 2.753 -9.174 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.791 2.338 -6.116 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.962 3.097 -5.564 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.774 2.533 -4.601 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.246 4.379 -6.011 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.850 3.228 -4.094 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.323 5.079 -5.507 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.125 4.503 -4.547 1.00 0.00 C ATOM 0 H PHE A 62 -4.467 1.339 -8.460 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.806 0.588 -6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.320 1.779 -5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.052 3.049 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.564 1.537 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.617 4.834 -6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.479 2.775 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.536 6.076 -5.864 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.968 5.048 -4.149 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.197 2.002 -8.395 1.00 0.00 N ATOM 1031 CA ASP A 63 -9.015 2.717 -9.399 1.00 0.00 C ATOM 1032 C ASP A 63 -8.632 2.312 -10.811 1.00 0.00 C ATOM 1033 O ASP A 63 -8.775 3.088 -11.751 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.821 4.227 -9.263 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.057 5.021 -9.643 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.125 4.797 -9.038 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.957 5.887 -10.538 1.00 0.00 O ATOM 0 H ASP A 63 -8.738 1.429 -7.747 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.056 2.451 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.548 4.461 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.988 4.539 -9.893 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.152 1.099 -10.981 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.737 0.677 -12.294 1.00 0.00 C ATOM 1044 C GLY A 64 -6.343 1.155 -12.667 1.00 0.00 C ATOM 1045 O GLY A 64 -5.827 0.810 -13.730 1.00 0.00 O ATOM 0 H GLY A 64 -8.042 0.404 -10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.766 -0.411 -12.344 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.450 1.049 -13.030 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.716 1.939 -11.809 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.383 2.461 -12.097 1.00 0.00 C ATOM 1051 C GLN A 65 -3.382 2.085 -11.004 1.00 0.00 C ATOM 1052 O GLN A 65 -3.729 1.999 -9.836 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.432 3.981 -12.278 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.029 4.723 -11.096 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.103 6.207 -11.323 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.171 6.944 -11.009 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.208 6.656 -11.875 1.00 0.00 N ATOM 0 H GLN A 65 -6.102 2.230 -10.911 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.043 2.005 -13.027 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.421 4.349 -12.452 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.013 4.212 -13.171 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.030 4.339 -10.899 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.430 4.525 -10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.956 6.007 -12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.317 7.653 -12.059 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.134 1.830 -11.384 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.072 1.491 -10.434 1.00 0.00 C ATOM 1068 C PRO A 66 -0.592 2.714 -9.650 1.00 0.00 C ATOM 1069 O PRO A 66 -0.635 3.844 -10.145 1.00 0.00 O ATOM 1070 CB PRO A 66 0.043 0.965 -11.334 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.170 1.657 -12.638 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.653 1.842 -12.777 1.00 0.00 C ATOM 0 HA PRO A 66 -1.404 0.778 -9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.026 1.191 -10.921 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.015 -0.118 -11.445 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.346 2.617 -12.658 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.227 1.065 -13.462 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.895 2.780 -13.277 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.104 1.042 -13.364 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.131 2.494 -8.425 1.00 0.00 N ATOM 1081 CA ILE A 67 0.352 3.584 -7.586 1.00 0.00 C ATOM 1082 C ILE A 67 1.713 3.271 -7.011 1.00 0.00 C ATOM 1083 O ILE A 67 2.004 2.143 -6.615 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.619 3.959 -6.421 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.027 2.722 -5.583 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.843 4.701 -6.946 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.161 1.911 -6.168 1.00 0.00 C ATOM 0 H ILE A 67 -0.081 1.572 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 67 0.414 4.446 -8.250 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.078 4.630 -5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.157 2.075 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.313 3.054 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.502 4.950 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.527 5.617 -7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.376 4.067 -7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.378 1.066 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.048 2.538 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.875 1.544 -7.154 1.00 0.00 H new ATOM 1099 N ASN A 68 2.552 4.272 -7.001 1.00 0.00 N ATOM 1100 CA ASN A 68 3.894 4.178 -6.466 1.00 0.00 C ATOM 1101 C ASN A 68 3.917 4.594 -5.003 1.00 0.00 C ATOM 1102 O ASN A 68 3.076 5.372 -4.557 1.00 0.00 O ATOM 1103 CB ASN A 68 4.840 5.062 -7.286 1.00 0.00 C ATOM 1104 CG ASN A 68 4.132 6.279 -7.868 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.652 6.253 -9.001 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.043 7.332 -7.098 1.00 0.00 N ATOM 0 H ASN A 68 2.323 5.195 -7.370 1.00 0.00 H new ATOM 0 HA ASN A 68 4.227 3.142 -6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.665 5.392 -6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.273 4.474 -8.095 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.563 8.168 -7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.453 7.317 -6.164 1.00 0.00 H new ATOM 1113 N GLU A 69 4.896 4.095 -4.260 1.00 0.00 N ATOM 1114 CA GLU A 69 5.030 4.388 -2.825 1.00 0.00 C ATOM 1115 C GLU A 69 5.261 5.873 -2.558 1.00 0.00 C ATOM 1116 O GLU A 69 5.082 6.353 -1.439 1.00 0.00 O ATOM 1117 CB GLU A 69 6.181 3.592 -2.230 1.00 0.00 C ATOM 1118 CG GLU A 69 7.440 3.656 -3.055 1.00 0.00 C ATOM 1119 CD GLU A 69 8.685 3.431 -2.243 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.975 4.256 -1.353 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.400 2.439 -2.507 1.00 0.00 O ATOM 0 H GLU A 69 5.621 3.477 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 69 4.090 4.100 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.392 3.966 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.877 2.551 -2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.388 2.908 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.501 4.630 -3.541 1.00 0.00 H new ATOM 1128 N THR A 70 5.674 6.595 -3.578 1.00 0.00 N ATOM 1129 CA THR A 70 5.945 8.012 -3.452 1.00 0.00 C ATOM 1130 C THR A 70 4.655 8.829 -3.493 1.00 0.00 C ATOM 1131 O THR A 70 4.631 10.004 -3.129 1.00 0.00 O ATOM 1132 CB THR A 70 6.889 8.476 -4.571 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.316 8.160 -5.840 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.226 7.776 -4.455 1.00 0.00 C ATOM 0 H THR A 70 5.831 6.219 -4.513 1.00 0.00 H new ATOM 0 HA THR A 70 6.423 8.174 -2.486 1.00 0.00 H new ATOM 0 HB THR A 70 7.034 9.552 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.918 8.458 -6.554 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.885 8.115 -5.255 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.677 8.010 -3.490 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.081 6.699 -4.536 1.00 0.00 H new ATOM 1142 N ASP A 71 3.574 8.199 -3.929 1.00 0.00 N ATOM 1143 CA ASP A 71 2.284 8.870 -4.018 1.00 0.00 C ATOM 1144 C ASP A 71 1.580 8.830 -2.674 1.00 0.00 C ATOM 1145 O ASP A 71 1.891 7.997 -1.818 1.00 0.00 O ATOM 1146 CB ASP A 71 1.410 8.227 -5.109 1.00 0.00 C ATOM 1147 CG ASP A 71 1.220 9.129 -6.319 1.00 0.00 C ATOM 1148 OD1 ASP A 71 2.186 9.289 -7.114 1.00 0.00 O ATOM 1149 OD2 ASP A 71 0.116 9.670 -6.493 1.00 0.00 O ATOM 0 H ASP A 71 3.564 7.224 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 71 2.452 9.912 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.866 7.290 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.435 7.980 -4.689 1.00 0.00 H new ATOM 1154 N THR A 72 0.647 9.734 -2.474 1.00 0.00 N ATOM 1155 CA THR A 72 -0.089 9.813 -1.228 1.00 0.00 C ATOM 1156 C THR A 72 -1.575 9.588 -1.471 1.00 0.00 C ATOM 1157 O THR A 72 -2.085 9.903 -2.548 1.00 0.00 O ATOM 1158 CB THR A 72 0.111 11.190 -0.562 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.080 12.232 -1.533 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.500 11.305 0.048 1.00 0.00 C ATOM 0 H THR A 72 0.377 10.433 -3.166 1.00 0.00 H new ATOM 0 HA THR A 72 0.292 9.035 -0.566 1.00 0.00 H new ATOM 0 HB THR A 72 -0.624 11.294 0.236 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.046 13.105 -1.105 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.614 12.285 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.631 10.530 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.251 11.182 -0.732 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.307 9.057 -0.472 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.748 8.809 -0.597 1.00 0.00 C ATOM 1170 C PRO A 73 -4.545 10.109 -0.770 1.00 0.00 C ATOM 1171 O PRO A 73 -5.749 10.094 -1.049 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.116 8.123 0.728 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.033 8.504 1.674 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.790 8.647 0.852 1.00 0.00 C ATOM 0 HA PRO A 73 -3.983 8.209 -1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.089 8.456 1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.174 7.041 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.272 9.437 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.904 7.744 2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.115 9.394 1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.235 7.711 0.795 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.874 11.237 -0.597 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.498 12.536 -0.755 1.00 0.00 C ATOM 1184 C ALA A 74 -4.267 13.096 -2.145 1.00 0.00 C ATOM 1185 O ALA A 74 -4.995 13.966 -2.597 1.00 0.00 O ATOM 1186 CB ALA A 74 -3.979 13.504 0.282 1.00 0.00 C ATOM 0 H ALA A 74 -2.887 11.275 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.571 12.404 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.459 14.473 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.203 13.124 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.900 13.614 0.169 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.246 12.591 -2.833 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.910 13.081 -4.163 1.00 0.00 C ATOM 1194 C GLN A 75 -3.972 12.676 -5.172 1.00 0.00 C ATOM 1195 O GLN A 75 -4.304 13.432 -6.085 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.536 12.577 -4.596 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.027 13.212 -5.884 1.00 0.00 C ATOM 1198 CD GLN A 75 0.405 12.835 -6.210 1.00 0.00 C ATOM 1199 OE1 GLN A 75 1.211 12.610 -5.188 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 0.786 12.757 -7.378 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.640 11.845 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.876 14.170 -4.123 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.820 12.772 -3.798 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.581 11.496 -4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.672 12.911 -6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.101 14.296 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.133 12.938 -8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.754 12.511 -7.583 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.520 11.487 -4.994 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.570 10.997 -5.867 1.00 0.00 C ATOM 1211 C LEU A 76 -6.912 11.033 -5.148 1.00 0.00 C ATOM 1212 O LEU A 76 -7.948 10.672 -5.707 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.256 9.569 -6.419 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.560 8.545 -5.477 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.078 8.855 -5.313 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.243 8.483 -4.122 1.00 0.00 C ATOM 0 H LEU A 76 -4.254 10.842 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.622 11.659 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.196 9.128 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.629 9.686 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.651 7.566 -5.947 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.624 8.120 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.588 8.816 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.960 9.851 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.731 7.758 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.207 9.465 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.282 8.181 -4.252 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.870 11.486 -3.891 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.045 11.610 -3.027 1.00 0.00 C ATOM 1230 C GLU A 77 -8.900 10.350 -3.005 1.00 0.00 C ATOM 1231 O GLU A 77 -10.059 10.347 -3.426 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.872 12.845 -3.381 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.133 14.145 -3.118 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.990 15.365 -3.321 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.706 15.756 -2.377 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -8.935 15.961 -4.418 1.00 0.00 O ATOM 0 H GLU A 77 -6.004 11.781 -3.440 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.668 11.740 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.153 12.799 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.796 12.835 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.755 14.140 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.267 14.203 -3.778 1.00 0.00 H new ATOM 1243 N MET A 78 -8.313 9.266 -2.530 1.00 0.00 N ATOM 1244 CA MET A 78 -9.036 8.014 -2.392 1.00 0.00 C ATOM 1245 C MET A 78 -9.985 8.088 -1.212 1.00 0.00 C ATOM 1246 O MET A 78 -9.887 8.990 -0.374 1.00 0.00 O ATOM 1247 CB MET A 78 -8.079 6.831 -2.232 1.00 0.00 C ATOM 1248 CG MET A 78 -7.007 7.038 -1.183 1.00 0.00 C ATOM 1249 SD MET A 78 -5.996 5.566 -0.907 1.00 0.00 S ATOM 1250 CE MET A 78 -5.555 5.112 -2.581 1.00 0.00 C ATOM 0 H MET A 78 -7.338 9.227 -2.233 1.00 0.00 H new ATOM 0 HA MET A 78 -9.612 7.855 -3.304 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.657 5.943 -1.975 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.600 6.633 -3.191 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.363 7.863 -1.488 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.477 7.331 -0.244 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.493 4.869 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.138 4.244 -2.888 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.764 5.946 -3.251 1.00 0.00 H new ATOM 1260 N GLU A 79 -10.888 7.144 -1.131 1.00 0.00 N ATOM 1261 CA GLU A 79 -11.890 7.148 -0.091 1.00 0.00 C ATOM 1262 C GLU A 79 -11.380 6.442 1.154 1.00 0.00 C ATOM 1263 O GLU A 79 -10.459 5.626 1.091 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.163 6.475 -0.599 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.342 6.581 0.346 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.570 5.907 -0.196 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -16.342 6.571 -0.917 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -15.770 4.707 0.094 1.00 0.00 O ATOM 0 H GLU A 79 -10.951 6.357 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.113 8.181 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.438 6.919 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.954 5.421 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.078 6.134 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.560 7.632 0.534 1.00 0.00 H new ATOM 1275 N ASP A 80 -11.963 6.765 2.291 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.596 6.123 3.526 1.00 0.00 C ATOM 1277 C ASP A 80 -12.126 4.706 3.552 1.00 0.00 C ATOM 1278 O ASP A 80 -13.233 4.429 3.076 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.110 6.902 4.740 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.622 6.975 4.806 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.211 7.841 4.129 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.226 6.174 5.541 1.00 0.00 O ATOM 0 H ASP A 80 -12.694 7.471 2.380 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.508 6.102 3.581 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.735 6.433 5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.705 7.913 4.713 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.308 3.807 4.055 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.631 2.389 4.185 1.00 0.00 C ATOM 1289 C GLU A 81 -11.659 1.717 2.815 1.00 0.00 C ATOM 1290 O GLU A 81 -12.177 0.605 2.656 1.00 0.00 O ATOM 1291 CB GLU A 81 -12.958 2.172 4.930 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.002 2.809 6.309 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.200 2.366 7.118 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -14.094 1.352 7.839 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.249 3.034 7.047 1.00 0.00 O ATOM 0 H GLU A 81 -10.375 4.040 4.395 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.846 1.926 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.772 2.576 4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.137 1.101 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.090 2.557 6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.021 3.894 6.203 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.085 2.394 1.818 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.032 1.872 0.457 1.00 0.00 C ATOM 1304 C ASP A 82 -10.069 0.692 0.376 1.00 0.00 C ATOM 1305 O ASP A 82 -9.405 0.348 1.355 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.602 2.960 -0.526 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.379 2.895 -1.825 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.206 1.912 -2.576 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.170 3.822 -2.102 1.00 0.00 O ATOM 0 H ASP A 82 -10.649 3.309 1.932 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.032 1.534 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.744 3.939 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.537 2.858 -0.736 1.00 0.00 H new ATOM 1314 N THR A 83 -9.972 0.077 -0.783 1.00 0.00 N ATOM 1315 CA THR A 83 -9.131 -1.088 -0.940 1.00 0.00 C ATOM 1316 C THR A 83 -8.212 -0.954 -2.152 1.00 0.00 C ATOM 1317 O THR A 83 -8.572 -0.358 -3.167 1.00 0.00 O ATOM 1318 CB THR A 83 -9.979 -2.367 -1.093 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.312 -2.122 -0.617 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.369 -3.515 -0.301 1.00 0.00 C ATOM 0 H THR A 83 -10.465 0.364 -1.629 1.00 0.00 H new ATOM 0 HA THR A 83 -8.522 -1.162 -0.039 1.00 0.00 H new ATOM 0 HB THR A 83 -10.004 -2.640 -2.148 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.850 -2.935 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.983 -4.408 -0.423 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.362 -3.715 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.325 -3.246 0.754 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.030 -1.528 -2.046 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.051 -1.502 -3.112 1.00 0.00 C ATOM 1330 C ILE A 84 -5.731 -2.929 -3.501 1.00 0.00 C ATOM 1331 O ILE A 84 -5.529 -3.782 -2.641 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.735 -0.758 -2.698 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.967 0.752 -2.577 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.611 -1.033 -3.682 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.726 1.158 -1.346 1.00 0.00 C ATOM 0 H ILE A 84 -6.721 -2.028 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.475 -0.952 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.441 -1.144 -1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.002 1.259 -2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.511 1.097 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.713 -0.502 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.408 -2.104 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.904 -0.691 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.848 2.241 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.707 0.682 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.174 0.846 -0.459 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.705 -3.198 -4.781 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.453 -4.537 -5.273 1.00 0.00 C ATOM 1349 C ASP A 85 -3.971 -4.799 -5.401 1.00 0.00 C ATOM 1350 O ASP A 85 -3.214 -3.951 -5.881 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.138 -4.743 -6.610 1.00 0.00 C ATOM 1352 CG ASP A 85 -7.627 -4.973 -6.473 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -8.379 -3.983 -6.336 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -8.058 -6.149 -6.517 1.00 0.00 O ATOM 0 H ASP A 85 -5.856 -2.503 -5.512 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.862 -5.245 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.966 -3.871 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.688 -5.596 -7.117 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.549 -5.966 -4.967 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.161 -6.342 -5.008 1.00 0.00 C ATOM 1361 C VAL A 86 -1.968 -7.632 -5.771 1.00 0.00 C ATOM 1362 O VAL A 86 -2.757 -8.567 -5.657 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.582 -6.481 -3.574 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.393 -7.437 -3.531 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.171 -5.128 -3.057 1.00 0.00 C ATOM 0 H VAL A 86 -4.164 -6.680 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.622 -5.550 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.364 -6.897 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.018 -7.506 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.708 -8.424 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.397 -7.065 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.765 -5.231 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.411 -4.703 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.039 -4.469 -3.033 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.914 -7.680 -6.545 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.571 -8.852 -7.310 1.00 0.00 C ATOM 1377 C PHE A 87 0.915 -9.092 -7.228 1.00 0.00 C ATOM 1378 O PHE A 87 1.697 -8.142 -7.130 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.048 -8.733 -8.765 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.979 -7.339 -9.340 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.932 -6.390 -8.996 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.021 -6.982 -10.222 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.884 -5.120 -9.515 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.071 -5.707 -10.752 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.884 -4.774 -10.394 1.00 0.00 C ATOM 0 H PHE A 87 -0.265 -6.902 -6.663 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.086 -9.713 -6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.447 -9.397 -9.386 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.078 -9.086 -8.825 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.723 -6.655 -8.310 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.772 -7.707 -10.501 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.631 -4.393 -9.233 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.855 -5.440 -11.445 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.845 -3.775 -10.804 1.00 0.00 H new ATOM 1395 N GLN A 88 1.323 -10.343 -7.251 1.00 0.00 N ATOM 1396 CA GLN A 88 2.724 -10.659 -7.096 1.00 0.00 C ATOM 1397 C GLN A 88 3.342 -11.058 -8.418 1.00 0.00 C ATOM 1398 O GLN A 88 3.038 -12.117 -8.976 1.00 0.00 O ATOM 1399 CB GLN A 88 2.932 -11.782 -6.075 1.00 0.00 C ATOM 1400 CG GLN A 88 2.073 -11.671 -4.819 1.00 0.00 C ATOM 1401 CD GLN A 88 2.767 -12.216 -3.582 1.00 0.00 C ATOM 1402 OE1 GLN A 88 4.057 -11.944 -3.453 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 2.134 -12.820 -2.719 1.00 0.00 N flip ATOM 0 H GLN A 88 0.711 -11.149 -7.374 1.00 0.00 H new ATOM 0 HA GLN A 88 3.217 -9.758 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.723 -12.737 -6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.981 -11.797 -5.781 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.813 -10.626 -4.653 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.139 -12.211 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.141 -13.011 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.601 -13.130 -1.867 1.00 0.00 H new