USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 625 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 24 CYS SG : rot 109:sc= -0.197 USER MOD Set 1.2: A 91 TYR OH : rot -148:sc= -1.39 USER MOD Set 2.1: A 29 THR OG1 : rot 105:sc= 1.04 USER MOD Set 2.2: A 43 TYR OH : rot 180:sc= -0.885 USER MOD Set 3.1: A 20 MET CE :methyl -139:sc= 0 (180deg=-1.38!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -107:sc= -0.121 (180deg=-2.32!) USER MOD Single : A 32 CYS SG : rot 83:sc= 0.198 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.834 X(o=-0.83,f=-1.1) USER MOD Single : A 48 ASN : amide:sc=-0.00207 K(o=-0.0021,f=-1.5) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -79:sc= 0.232 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 54:sc= 0.0766 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot -169:sc= -1.48 USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= 1.27 (180deg=1.15) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.402 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.47) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.900 -2.461 0.301 1.00 0.00 N ATOM 261 CA ARG A 17 -12.813 -1.495 0.205 1.00 0.00 C ATOM 262 C ARG A 17 -12.276 -1.142 1.589 1.00 0.00 C ATOM 263 O ARG A 17 -11.070 -0.986 1.778 1.00 0.00 O ATOM 264 CB ARG A 17 -13.292 -0.228 -0.506 1.00 0.00 C ATOM 265 CG ARG A 17 -12.176 0.764 -0.800 1.00 0.00 C ATOM 266 CD ARG A 17 -11.998 0.980 -2.294 1.00 0.00 C ATOM 267 NE ARG A 17 -11.112 2.106 -2.583 1.00 0.00 N ATOM 268 CZ ARG A 17 -9.784 2.042 -2.509 1.00 0.00 C ATOM 269 NH1 ARG A 17 -9.187 0.911 -2.158 1.00 0.00 N ATOM 270 NH2 ARG A 17 -9.053 3.112 -2.788 1.00 0.00 N ATOM 0 HA ARG A 17 -12.008 -1.947 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.775 -0.507 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.048 0.260 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.399 1.716 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.243 0.400 -0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.592 0.075 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.971 1.157 -2.753 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.536 2.992 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.745 0.085 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.169 0.867 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.508 3.984 -3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.036 3.064 -2.731 1.00 0.00 H new ATOM 284 N GLU A 18 -13.181 -1.016 2.554 1.00 0.00 N ATOM 285 CA GLU A 18 -12.798 -0.681 3.922 1.00 0.00 C ATOM 286 C GLU A 18 -11.899 -1.760 4.517 1.00 0.00 C ATOM 287 O GLU A 18 -10.987 -1.467 5.289 1.00 0.00 O ATOM 288 CB GLU A 18 -14.045 -0.498 4.792 1.00 0.00 C ATOM 289 CG GLU A 18 -14.186 0.904 5.363 1.00 0.00 C ATOM 290 CD GLU A 18 -14.756 0.907 6.768 1.00 0.00 C ATOM 291 OE1 GLU A 18 -15.572 0.015 7.080 1.00 0.00 O ATOM 292 OE2 GLU A 18 -14.385 1.801 7.556 1.00 0.00 O ATOM 0 H GLU A 18 -14.184 -1.141 2.415 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.240 0.255 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.929 -0.731 4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.014 -1.215 5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.210 1.389 5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.831 1.494 4.712 1.00 0.00 H new ATOM 299 N GLU A 19 -12.163 -3.011 4.153 1.00 0.00 N ATOM 300 CA GLU A 19 -11.376 -4.135 4.652 1.00 0.00 C ATOM 301 C GLU A 19 -9.993 -4.157 4.009 1.00 0.00 C ATOM 302 O GLU A 19 -9.018 -4.589 4.626 1.00 0.00 O ATOM 303 CB GLU A 19 -12.103 -5.453 4.376 1.00 0.00 C ATOM 304 CG GLU A 19 -12.070 -6.420 5.550 1.00 0.00 C ATOM 305 CD GLU A 19 -13.242 -7.383 5.544 1.00 0.00 C ATOM 306 OE1 GLU A 19 -13.522 -7.970 4.478 1.00 0.00 O ATOM 307 OE2 GLU A 19 -13.878 -7.547 6.605 1.00 0.00 O ATOM 0 H GLU A 19 -12.915 -3.272 3.515 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.253 -4.014 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.141 -5.240 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.652 -5.933 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.139 -6.986 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.073 -5.855 6.482 1.00 0.00 H new ATOM 314 N MET A 20 -9.916 -3.690 2.768 1.00 0.00 N ATOM 315 CA MET A 20 -8.653 -3.655 2.039 1.00 0.00 C ATOM 316 C MET A 20 -7.619 -2.807 2.771 1.00 0.00 C ATOM 317 O MET A 20 -6.532 -3.282 3.099 1.00 0.00 O ATOM 318 CB MET A 20 -8.873 -3.105 0.629 1.00 0.00 C ATOM 319 CG MET A 20 -9.734 -4.001 -0.246 1.00 0.00 C ATOM 320 SD MET A 20 -9.123 -4.113 -1.940 1.00 0.00 S ATOM 321 CE MET A 20 -7.721 -5.206 -1.721 1.00 0.00 C ATOM 0 H MET A 20 -10.714 -3.330 2.245 1.00 0.00 H new ATOM 0 HA MET A 20 -8.274 -4.675 1.973 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.340 -2.123 0.700 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.905 -2.963 0.148 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.772 -5.000 0.189 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.755 -3.619 -0.257 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.887 -4.854 -2.327 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.428 -5.216 -0.671 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.994 -6.215 -2.031 1.00 0.00 H new ATOM 331 N VAL A 21 -7.961 -1.545 3.021 1.00 0.00 N ATOM 332 CA VAL A 21 -7.054 -0.634 3.711 1.00 0.00 C ATOM 333 C VAL A 21 -6.689 -1.161 5.094 1.00 0.00 C ATOM 334 O VAL A 21 -5.566 -0.978 5.563 1.00 0.00 O ATOM 335 CB VAL A 21 -7.662 0.781 3.840 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.248 1.229 2.515 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.721 0.830 4.935 1.00 0.00 C ATOM 0 H VAL A 21 -8.856 -1.132 2.757 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.149 -0.570 3.107 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.861 1.466 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.672 2.227 2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.464 1.248 1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.030 0.534 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.130 1.838 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.521 0.129 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.270 0.558 5.889 1.00 0.00 H new ATOM 347 N LYS A 22 -7.644 -1.817 5.743 1.00 0.00 N ATOM 348 CA LYS A 22 -7.418 -2.370 7.072 1.00 0.00 C ATOM 349 C LYS A 22 -6.355 -3.461 7.025 1.00 0.00 C ATOM 350 O LYS A 22 -5.297 -3.345 7.649 1.00 0.00 O ATOM 351 CB LYS A 22 -8.721 -2.930 7.645 1.00 0.00 C ATOM 352 CG LYS A 22 -9.748 -1.862 7.983 1.00 0.00 C ATOM 353 CD LYS A 22 -9.378 -1.119 9.258 1.00 0.00 C ATOM 354 CE LYS A 22 -9.632 0.374 9.126 1.00 0.00 C ATOM 355 NZ LYS A 22 -8.509 1.072 8.441 1.00 0.00 N ATOM 0 H LYS A 22 -8.580 -1.978 5.371 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.065 -1.568 7.721 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.155 -3.624 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.496 -3.503 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.825 -1.155 7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.729 -2.323 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.957 -1.515 10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.327 -1.291 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.554 0.537 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.777 0.806 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.970 1.628 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.882 0.370 7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.889 1.706 7.710 1.00 0.00 H new ATOM 369 N LYS A 23 -6.639 -4.523 6.275 1.00 0.00 N ATOM 370 CA LYS A 23 -5.707 -5.635 6.138 1.00 0.00 C ATOM 371 C LYS A 23 -4.341 -5.136 5.678 1.00 0.00 C ATOM 372 O LYS A 23 -3.313 -5.736 5.987 1.00 0.00 O ATOM 373 CB LYS A 23 -6.250 -6.665 5.144 1.00 0.00 C ATOM 374 CG LYS A 23 -6.381 -6.134 3.726 1.00 0.00 C ATOM 375 CD LYS A 23 -6.798 -7.228 2.758 1.00 0.00 C ATOM 376 CE LYS A 23 -8.312 -7.363 2.692 1.00 0.00 C ATOM 377 NZ LYS A 23 -8.763 -7.887 1.372 1.00 0.00 N ATOM 0 H LYS A 23 -7.508 -4.635 5.753 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.595 -6.110 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.592 -7.534 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.227 -7.008 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.115 -5.328 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.430 -5.707 3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.407 -7.006 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.360 -8.177 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.652 -8.030 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.772 -6.392 2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.800 -7.965 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.460 -7.237 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.344 -8.825 1.209 1.00 0.00 H new ATOM 391 N CYS A 24 -4.341 -4.028 4.941 1.00 0.00 N ATOM 392 CA CYS A 24 -3.102 -3.442 4.446 1.00 0.00 C ATOM 393 C CYS A 24 -2.231 -2.983 5.608 1.00 0.00 C ATOM 394 O CYS A 24 -1.024 -3.224 5.627 1.00 0.00 O ATOM 395 CB CYS A 24 -3.409 -2.264 3.513 1.00 0.00 C ATOM 396 SG CYS A 24 -1.962 -1.277 3.054 1.00 0.00 S ATOM 0 H CYS A 24 -5.184 -3.520 4.675 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.558 -4.201 3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.875 -2.647 2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.139 -1.614 3.996 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.667 -1.493 1.806 1.00 0.00 H new ATOM 402 N LEU A 25 -2.853 -2.322 6.579 1.00 0.00 N ATOM 403 CA LEU A 25 -2.137 -1.834 7.751 1.00 0.00 C ATOM 404 C LEU A 25 -1.422 -2.977 8.460 1.00 0.00 C ATOM 405 O LEU A 25 -0.320 -2.805 8.981 1.00 0.00 O ATOM 406 CB LEU A 25 -3.101 -1.144 8.715 1.00 0.00 C ATOM 407 CG LEU A 25 -2.454 -0.107 9.634 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.304 1.152 9.702 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.242 -0.686 11.025 1.00 0.00 C ATOM 0 H LEU A 25 -3.851 -2.112 6.577 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.392 -1.111 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.886 -0.657 8.136 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.584 -1.903 9.330 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.481 0.159 9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.827 1.878 10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.403 1.578 8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.292 0.904 10.090 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.781 0.066 11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.203 -0.982 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.590 -1.557 10.961 1.00 0.00 H new ATOM 421 N GLY A 26 -2.055 -4.144 8.476 1.00 0.00 N ATOM 422 CA GLY A 26 -1.464 -5.301 9.121 1.00 0.00 C ATOM 423 C GLY A 26 -0.373 -5.941 8.284 1.00 0.00 C ATOM 424 O GLY A 26 0.664 -6.346 8.807 1.00 0.00 O ATOM 0 H GLY A 26 -2.968 -4.310 8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.050 -5.003 10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.242 -6.037 9.322 1.00 0.00 H new ATOM 428 N GLU A 27 -0.610 -6.033 6.979 1.00 0.00 N ATOM 429 CA GLU A 27 0.359 -6.628 6.066 1.00 0.00 C ATOM 430 C GLU A 27 1.661 -5.834 6.057 1.00 0.00 C ATOM 431 O GLU A 27 2.739 -6.387 6.278 1.00 0.00 O ATOM 432 CB GLU A 27 -0.220 -6.695 4.651 1.00 0.00 C ATOM 433 CG GLU A 27 -1.374 -7.673 4.511 1.00 0.00 C ATOM 434 CD GLU A 27 -0.908 -9.101 4.314 1.00 0.00 C ATOM 435 OE1 GLU A 27 0.037 -9.314 3.526 1.00 0.00 O ATOM 436 OE2 GLU A 27 -1.489 -10.009 4.947 1.00 0.00 O ATOM 0 H GLU A 27 -1.465 -5.703 6.530 1.00 0.00 H new ATOM 0 HA GLU A 27 0.575 -7.638 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.560 -5.701 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.571 -6.978 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.001 -7.619 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.995 -7.378 3.665 1.00 0.00 H new ATOM 443 N LEU A 28 1.555 -4.535 5.798 1.00 0.00 N ATOM 444 CA LEU A 28 2.726 -3.667 5.758 1.00 0.00 C ATOM 445 C LEU A 28 3.487 -3.710 7.078 1.00 0.00 C ATOM 446 O LEU A 28 4.701 -3.509 7.109 1.00 0.00 O ATOM 447 CB LEU A 28 2.318 -2.230 5.431 1.00 0.00 C ATOM 448 CG LEU A 28 2.196 -1.920 3.937 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.739 -0.487 3.725 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.524 -2.168 3.231 1.00 0.00 C ATOM 0 H LEU A 28 0.671 -4.061 5.613 1.00 0.00 H new ATOM 0 HA LEU A 28 3.386 -4.033 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.361 -2.021 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.049 -1.551 5.870 1.00 0.00 H new ATOM 0 HG LEU A 28 1.448 -2.586 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.658 -0.285 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.767 -0.342 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.464 0.195 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.419 -1.943 2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.292 -1.527 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.812 -3.212 3.354 1.00 0.00 H new ATOM 462 N THR A 29 2.775 -3.979 8.168 1.00 0.00 N ATOM 463 CA THR A 29 3.401 -4.056 9.480 1.00 0.00 C ATOM 464 C THR A 29 4.433 -5.176 9.511 1.00 0.00 C ATOM 465 O THR A 29 5.529 -5.010 10.043 1.00 0.00 O ATOM 466 CB THR A 29 2.347 -4.280 10.570 1.00 0.00 C ATOM 467 OG1 THR A 29 1.445 -3.191 10.625 1.00 0.00 O ATOM 468 CG2 THR A 29 2.937 -4.452 11.954 1.00 0.00 C ATOM 0 H THR A 29 1.769 -4.146 8.167 1.00 0.00 H new ATOM 0 HA THR A 29 3.904 -3.109 9.674 1.00 0.00 H new ATOM 0 HB THR A 29 1.840 -5.204 10.292 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.591 -3.453 10.221 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.134 -4.606 12.675 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.602 -5.315 11.961 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.500 -3.558 12.223 1.00 0.00 H new ATOM 476 N GLU A 30 4.075 -6.318 8.928 1.00 0.00 N ATOM 477 CA GLU A 30 4.973 -7.465 8.880 1.00 0.00 C ATOM 478 C GLU A 30 6.249 -7.120 8.120 1.00 0.00 C ATOM 479 O GLU A 30 7.352 -7.218 8.661 1.00 0.00 O ATOM 480 CB GLU A 30 4.279 -8.659 8.220 1.00 0.00 C ATOM 481 CG GLU A 30 3.573 -9.574 9.206 1.00 0.00 C ATOM 482 CD GLU A 30 3.812 -11.043 8.913 1.00 0.00 C ATOM 483 OE1 GLU A 30 4.983 -11.473 8.950 1.00 0.00 O ATOM 484 OE2 GLU A 30 2.827 -11.762 8.645 1.00 0.00 O ATOM 0 H GLU A 30 3.170 -6.472 8.483 1.00 0.00 H new ATOM 0 HA GLU A 30 5.238 -7.731 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.553 -8.291 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.018 -9.237 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.916 -9.348 10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.502 -9.372 9.181 1.00 0.00 H new ATOM 491 N VAL A 31 6.094 -6.712 6.862 1.00 0.00 N ATOM 492 CA VAL A 31 7.237 -6.347 6.029 1.00 0.00 C ATOM 493 C VAL A 31 8.100 -5.294 6.717 1.00 0.00 C ATOM 494 O VAL A 31 9.327 -5.328 6.628 1.00 0.00 O ATOM 495 CB VAL A 31 6.784 -5.815 4.655 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.802 -4.674 4.830 1.00 0.00 C ATOM 497 CG2 VAL A 31 7.979 -5.379 3.817 1.00 0.00 C ATOM 0 H VAL A 31 5.190 -6.626 6.398 1.00 0.00 H new ATOM 0 HA VAL A 31 7.825 -7.252 5.879 1.00 0.00 H new ATOM 0 HB VAL A 31 6.283 -6.623 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.491 -4.308 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.929 -5.026 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.279 -3.866 5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.631 -5.008 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.519 -4.588 4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.643 -6.229 3.661 1.00 0.00 H new ATOM 507 N CYS A 32 7.448 -4.361 7.404 1.00 0.00 N ATOM 508 CA CYS A 32 8.155 -3.299 8.109 1.00 0.00 C ATOM 509 C CYS A 32 9.113 -3.880 9.144 1.00 0.00 C ATOM 510 O CYS A 32 10.284 -3.505 9.199 1.00 0.00 O ATOM 511 CB CYS A 32 7.156 -2.362 8.791 1.00 0.00 C ATOM 512 SG CYS A 32 6.483 -1.084 7.703 1.00 0.00 S ATOM 0 H CYS A 32 6.432 -4.319 7.487 1.00 0.00 H new ATOM 0 HA CYS A 32 8.735 -2.733 7.380 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.333 -2.954 9.191 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.645 -1.882 9.639 1.00 0.00 H new ATOM 0 HG CYS A 32 5.500 -1.577 7.010 1.00 0.00 H new ATOM 518 N LYS A 33 8.609 -4.799 9.963 1.00 0.00 N ATOM 519 CA LYS A 33 9.423 -5.433 10.994 1.00 0.00 C ATOM 520 C LYS A 33 10.551 -6.250 10.371 1.00 0.00 C ATOM 521 O LYS A 33 11.698 -6.181 10.812 1.00 0.00 O ATOM 522 CB LYS A 33 8.559 -6.332 11.881 1.00 0.00 C ATOM 523 CG LYS A 33 7.207 -5.732 12.232 1.00 0.00 C ATOM 524 CD LYS A 33 6.882 -5.909 13.706 1.00 0.00 C ATOM 525 CE LYS A 33 5.707 -5.039 14.126 1.00 0.00 C ATOM 526 NZ LYS A 33 5.543 -5.001 15.605 1.00 0.00 N ATOM 0 H LYS A 33 7.642 -5.121 9.932 1.00 0.00 H new ATOM 0 HA LYS A 33 9.862 -4.645 11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.403 -7.284 11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.101 -6.546 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.204 -4.671 11.983 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.431 -6.204 11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.651 -6.955 13.906 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.756 -5.656 14.305 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.854 -4.026 13.751 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.793 -5.419 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.732 -4.398 15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.378 -5.964 15.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.405 -4.615 16.040 1.00 0.00 H new ATOM 540 N SER A 34 10.214 -7.025 9.344 1.00 0.00 N ATOM 541 CA SER A 34 11.197 -7.857 8.659 1.00 0.00 C ATOM 542 C SER A 34 12.362 -7.016 8.145 1.00 0.00 C ATOM 543 O SER A 34 13.505 -7.473 8.114 1.00 0.00 O ATOM 544 CB SER A 34 10.540 -8.603 7.496 1.00 0.00 C ATOM 545 OG SER A 34 9.716 -9.655 7.964 1.00 0.00 O ATOM 0 H SER A 34 9.268 -7.094 8.968 1.00 0.00 H new ATOM 0 HA SER A 34 11.585 -8.581 9.375 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.945 -7.908 6.904 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.310 -9.006 6.837 1.00 0.00 H new ATOM 0 HG SER A 34 9.307 -10.114 7.201 1.00 0.00 H new ATOM 551 N LEU A 35 12.063 -5.785 7.744 1.00 0.00 N ATOM 552 CA LEU A 35 13.085 -4.879 7.232 1.00 0.00 C ATOM 553 C LEU A 35 13.972 -4.360 8.362 1.00 0.00 C ATOM 554 O LEU A 35 15.112 -3.956 8.132 1.00 0.00 O ATOM 555 CB LEU A 35 12.435 -3.704 6.498 1.00 0.00 C ATOM 556 CG LEU A 35 11.825 -4.049 5.138 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.211 -2.811 4.498 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.876 -4.664 4.223 1.00 0.00 C ATOM 0 H LEU A 35 11.122 -5.392 7.764 1.00 0.00 H new ATOM 0 HA LEU A 35 13.708 -5.436 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.655 -3.285 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.184 -2.925 6.356 1.00 0.00 H new ATOM 0 HG LEU A 35 11.033 -4.782 5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.782 -3.076 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.429 -2.416 5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.982 -2.054 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.425 -4.903 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.690 -3.955 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.266 -5.575 4.677 1.00 0.00 H new ATOM 570 N GLY A 36 13.440 -4.369 9.581 1.00 0.00 N ATOM 571 CA GLY A 36 14.198 -3.892 10.723 1.00 0.00 C ATOM 572 C GLY A 36 15.282 -4.860 11.154 1.00 0.00 C ATOM 573 O GLY A 36 16.413 -4.455 11.422 1.00 0.00 O ATOM 0 H GLY A 36 12.499 -4.698 9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.651 -2.932 10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.519 -3.719 11.558 1.00 0.00 H new ATOM 577 N LYS A 37 14.938 -6.141 11.227 1.00 0.00 N ATOM 578 CA LYS A 37 15.891 -7.168 11.633 1.00 0.00 C ATOM 579 C LYS A 37 17.035 -7.295 10.629 1.00 0.00 C ATOM 580 O LYS A 37 18.116 -7.778 10.966 1.00 0.00 O ATOM 581 CB LYS A 37 15.185 -8.516 11.791 1.00 0.00 C ATOM 582 CG LYS A 37 14.614 -9.059 10.491 1.00 0.00 C ATOM 583 CD LYS A 37 14.397 -10.561 10.565 1.00 0.00 C ATOM 584 CE LYS A 37 13.505 -11.052 9.433 1.00 0.00 C ATOM 585 NZ LYS A 37 12.583 -12.132 9.881 1.00 0.00 N ATOM 0 H LYS A 37 14.006 -6.493 11.010 1.00 0.00 H new ATOM 0 HA LYS A 37 16.313 -6.868 12.592 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.890 -9.240 12.199 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.379 -8.412 12.517 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.668 -8.564 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.292 -8.828 9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.359 -11.071 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.945 -10.818 11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.923 -10.218 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.125 -11.420 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.993 -12.439 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.138 -12.939 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.973 -11.774 10.644 1.00 0.00 H new ATOM 599 N VAL A 38 16.791 -6.861 9.396 1.00 0.00 N ATOM 600 CA VAL A 38 17.804 -6.935 8.348 1.00 0.00 C ATOM 601 C VAL A 38 18.626 -5.652 8.272 1.00 0.00 C ATOM 602 O VAL A 38 19.824 -5.687 7.994 1.00 0.00 O ATOM 603 CB VAL A 38 17.175 -7.210 6.974 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.603 -8.617 6.919 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.104 -6.178 6.669 1.00 0.00 C ATOM 0 H VAL A 38 15.904 -6.456 9.099 1.00 0.00 H new ATOM 0 HA VAL A 38 18.461 -7.764 8.611 1.00 0.00 H new ATOM 0 HB VAL A 38 17.952 -7.133 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.162 -8.792 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.399 -9.341 7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.837 -8.729 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.667 -6.385 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.327 -6.224 7.432 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.549 -5.183 6.664 1.00 0.00 H new ATOM 615 N PHE A 39 17.975 -4.517 8.515 1.00 0.00 N ATOM 616 CA PHE A 39 18.654 -3.226 8.465 1.00 0.00 C ATOM 617 C PHE A 39 19.005 -2.728 9.867 1.00 0.00 C ATOM 618 O PHE A 39 19.289 -1.545 10.060 1.00 0.00 O ATOM 619 CB PHE A 39 17.780 -2.196 7.747 1.00 0.00 C ATOM 620 CG PHE A 39 17.777 -2.353 6.253 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.887 -1.995 5.504 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.667 -2.863 5.597 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.889 -2.139 4.129 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.663 -3.010 4.223 1.00 0.00 C ATOM 625 CZ PHE A 39 17.776 -2.648 3.488 1.00 0.00 C ATOM 0 H PHE A 39 16.983 -4.465 8.747 1.00 0.00 H new ATOM 0 HA PHE A 39 19.583 -3.358 7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.757 -2.278 8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.130 -1.195 7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.761 -1.599 6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.795 -3.149 6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.759 -1.854 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.791 -3.407 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.776 -2.763 2.414 1.00 0.00 H new ATOM 635 N GLY A 40 18.992 -3.634 10.840 1.00 0.00 N ATOM 636 CA GLY A 40 19.318 -3.265 12.206 1.00 0.00 C ATOM 637 C GLY A 40 18.533 -2.063 12.701 1.00 0.00 C ATOM 638 O GLY A 40 18.978 -1.356 13.605 1.00 0.00 O ATOM 0 H GLY A 40 18.761 -4.619 10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.124 -4.114 12.862 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.384 -3.048 12.273 1.00 0.00 H new ATOM 642 N VAL A 41 17.363 -1.834 12.113 1.00 0.00 N ATOM 643 CA VAL A 41 16.521 -0.710 12.507 1.00 0.00 C ATOM 644 C VAL A 41 15.238 -1.194 13.175 1.00 0.00 C ATOM 645 O VAL A 41 14.738 -2.277 12.870 1.00 0.00 O ATOM 646 CB VAL A 41 16.160 0.179 11.302 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.407 0.836 10.732 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.441 -0.632 10.234 1.00 0.00 C ATOM 0 H VAL A 41 16.977 -2.410 11.364 1.00 0.00 H new ATOM 0 HA VAL A 41 17.098 -0.119 13.218 1.00 0.00 H new ATOM 0 HB VAL A 41 15.486 0.964 11.643 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.133 1.460 9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.876 1.453 11.499 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.107 0.067 10.407 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.194 0.014 9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.088 -1.441 9.894 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.525 -1.051 10.650 1.00 0.00 H new ATOM 658 N HIS A 42 14.714 -0.388 14.092 1.00 0.00 N ATOM 659 CA HIS A 42 13.492 -0.734 14.809 1.00 0.00 C ATOM 660 C HIS A 42 12.272 -0.647 13.898 1.00 0.00 C ATOM 661 O HIS A 42 12.319 -0.023 12.837 1.00 0.00 O ATOM 662 CB HIS A 42 13.308 0.188 16.016 1.00 0.00 C ATOM 663 CG HIS A 42 14.099 -0.231 17.216 1.00 0.00 C ATOM 664 ND1 HIS A 42 13.637 -1.141 18.142 1.00 0.00 N ATOM 665 CD2 HIS A 42 15.331 0.141 17.638 1.00 0.00 C ATOM 666 CE1 HIS A 42 14.548 -1.311 19.083 1.00 0.00 C ATOM 667 NE2 HIS A 42 15.586 -0.546 18.800 1.00 0.00 N ATOM 0 H HIS A 42 15.117 0.511 14.357 1.00 0.00 H new ATOM 0 HA HIS A 42 13.587 -1.764 15.154 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.597 1.201 15.736 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.251 0.220 16.281 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.990 0.846 17.152 1.00 0.00 H new ATOM 0 HE1 HIS A 42 14.459 -1.964 19.938 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.439 -0.476 19.354 1.00 0.00 H new ATOM 676 N TYR A 43 11.180 -1.277 14.321 1.00 0.00 N ATOM 677 CA TYR A 43 9.941 -1.276 13.552 1.00 0.00 C ATOM 678 C TYR A 43 9.495 0.150 13.236 1.00 0.00 C ATOM 679 O TYR A 43 9.263 0.496 12.077 1.00 0.00 O ATOM 680 CB TYR A 43 8.843 -2.015 14.327 1.00 0.00 C ATOM 681 CG TYR A 43 7.455 -1.847 13.747 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.247 -1.845 12.373 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.351 -1.689 14.576 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.981 -1.690 11.842 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.082 -1.534 14.052 1.00 0.00 C ATOM 686 CZ TYR A 43 4.902 -1.534 12.686 1.00 0.00 C ATOM 687 OH TYR A 43 3.639 -1.379 12.161 1.00 0.00 O ATOM 0 H TYR A 43 11.129 -1.797 15.197 1.00 0.00 H new ATOM 0 HA TYR A 43 10.122 -1.791 12.609 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.086 -3.077 14.356 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.840 -1.660 15.358 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.090 -1.967 11.709 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.487 -1.687 15.647 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.837 -1.691 10.772 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.235 -1.413 14.711 1.00 0.00 H new ATOM 0 HH TYR A 43 2.991 -1.282 12.890 1.00 0.00 H new ATOM 697 N PHE A 44 9.378 0.973 14.272 1.00 0.00 N ATOM 698 CA PHE A 44 8.962 2.361 14.104 1.00 0.00 C ATOM 699 C PHE A 44 9.917 3.112 13.180 1.00 0.00 C ATOM 700 O PHE A 44 9.538 4.097 12.549 1.00 0.00 O ATOM 701 CB PHE A 44 8.887 3.061 15.464 1.00 0.00 C ATOM 702 CG PHE A 44 7.491 3.439 15.868 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.802 4.427 15.184 1.00 0.00 C ATOM 704 CD2 PHE A 44 6.868 2.804 16.931 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.516 4.777 15.555 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.583 3.149 17.306 1.00 0.00 C ATOM 707 CZ PHE A 44 4.907 4.137 16.616 1.00 0.00 C ATOM 0 H PHE A 44 9.565 0.703 15.238 1.00 0.00 H new ATOM 0 HA PHE A 44 7.972 2.364 13.647 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.312 2.406 16.225 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.504 3.959 15.436 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.274 4.929 14.352 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.393 2.031 17.473 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.989 5.550 15.015 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.108 2.647 18.136 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.903 4.408 16.906 1.00 0.00 H new ATOM 717 N ASN A 45 11.158 2.639 13.106 1.00 0.00 N ATOM 718 CA ASN A 45 12.166 3.267 12.260 1.00 0.00 C ATOM 719 C ASN A 45 11.723 3.280 10.800 1.00 0.00 C ATOM 720 O ASN A 45 11.888 4.280 10.102 1.00 0.00 O ATOM 721 CB ASN A 45 13.502 2.533 12.394 1.00 0.00 C ATOM 722 CG ASN A 45 14.684 3.483 12.412 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.586 4.623 11.959 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.809 3.017 12.941 1.00 0.00 N ATOM 0 H ASN A 45 11.489 1.823 13.622 1.00 0.00 H new ATOM 0 HA ASN A 45 12.290 4.298 12.591 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.499 1.943 13.311 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.614 1.834 11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.637 3.611 12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.845 2.065 13.305 1.00 0.00 H new ATOM 731 N ILE A 46 11.162 2.164 10.345 1.00 0.00 N ATOM 732 CA ILE A 46 10.699 2.051 8.966 1.00 0.00 C ATOM 733 C ILE A 46 9.618 3.085 8.666 1.00 0.00 C ATOM 734 O ILE A 46 9.833 4.012 7.887 1.00 0.00 O ATOM 735 CB ILE A 46 10.144 0.642 8.675 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.182 -0.421 9.035 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.738 0.519 7.213 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.497 -0.253 8.306 1.00 0.00 C ATOM 0 H ILE A 46 11.017 1.327 10.909 1.00 0.00 H new ATOM 0 HA ILE A 46 11.561 2.233 8.324 1.00 0.00 H new ATOM 0 HB ILE A 46 9.258 0.484 9.290 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.365 -0.390 10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.774 -1.406 8.810 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.349 -0.482 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.968 1.256 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.606 0.695 6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.185 -1.042 8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.327 -0.314 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.927 0.718 8.551 1.00 0.00 H new ATOM 750 N PHE A 47 8.457 2.916 9.291 1.00 0.00 N ATOM 751 CA PHE A 47 7.339 3.834 9.093 1.00 0.00 C ATOM 752 C PHE A 47 6.663 4.159 10.420 1.00 0.00 C ATOM 753 O PHE A 47 7.067 3.667 11.474 1.00 0.00 O ATOM 754 CB PHE A 47 6.314 3.226 8.128 1.00 0.00 C ATOM 755 CG PHE A 47 6.782 3.131 6.700 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.706 4.029 6.184 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.289 2.135 5.871 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.127 3.933 4.871 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.708 2.036 4.558 1.00 0.00 C ATOM 760 CZ PHE A 47 7.628 2.936 4.057 1.00 0.00 C ATOM 0 H PHE A 47 8.265 2.152 9.939 1.00 0.00 H new ATOM 0 HA PHE A 47 7.732 4.756 8.665 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.051 2.228 8.478 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.404 3.825 8.160 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.100 4.811 6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.569 1.428 6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.847 4.638 4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.316 1.255 3.924 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.956 2.860 3.031 1.00 0.00 H new ATOM 770 N ASN A 48 5.626 4.988 10.358 1.00 0.00 N ATOM 771 CA ASN A 48 4.883 5.380 11.552 1.00 0.00 C ATOM 772 C ASN A 48 3.429 4.931 11.452 1.00 0.00 C ATOM 773 O ASN A 48 2.953 4.572 10.375 1.00 0.00 O ATOM 774 CB ASN A 48 4.951 6.895 11.747 1.00 0.00 C ATOM 775 CG ASN A 48 6.322 7.359 12.197 1.00 0.00 C ATOM 776 OD1 ASN A 48 7.334 7.046 11.570 1.00 0.00 O ATOM 777 ND2 ASN A 48 6.363 8.111 13.291 1.00 0.00 N ATOM 0 H ASN A 48 5.280 5.402 9.492 1.00 0.00 H new ATOM 0 HA ASN A 48 5.339 4.892 12.414 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.692 7.391 10.812 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.208 7.197 12.485 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.258 8.453 13.642 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.500 8.347 13.780 1.00 0.00 H new ATOM 784 N THR A 49 2.729 4.949 12.582 1.00 0.00 N ATOM 785 CA THR A 49 1.328 4.542 12.621 1.00 0.00 C ATOM 786 C THR A 49 0.497 5.329 11.611 1.00 0.00 C ATOM 787 O THR A 49 -0.365 4.771 10.931 1.00 0.00 O ATOM 788 CB THR A 49 0.758 4.735 14.027 1.00 0.00 C ATOM 789 OG1 THR A 49 1.612 4.156 14.998 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.617 4.130 14.204 1.00 0.00 C ATOM 0 H THR A 49 3.108 5.241 13.483 1.00 0.00 H new ATOM 0 HA THR A 49 1.279 3.486 12.356 1.00 0.00 H new ATOM 0 HB THR A 49 0.681 5.814 14.162 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.231 4.291 15.891 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.962 4.303 15.223 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.311 4.593 13.503 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.570 3.058 14.014 1.00 0.00 H new ATOM 798 N VAL A 50 0.761 6.627 11.520 1.00 0.00 N ATOM 799 CA VAL A 50 0.039 7.491 10.593 1.00 0.00 C ATOM 800 C VAL A 50 0.470 7.241 9.151 1.00 0.00 C ATOM 801 O VAL A 50 -0.297 7.468 8.215 1.00 0.00 O ATOM 802 CB VAL A 50 0.248 8.978 10.936 1.00 0.00 C ATOM 803 CG1 VAL A 50 1.719 9.336 10.858 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.577 9.865 10.016 1.00 0.00 C ATOM 0 H VAL A 50 1.470 7.105 12.077 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.019 7.249 10.694 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.092 9.148 11.958 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.850 10.390 11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.280 8.726 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.086 9.150 9.849 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.414 10.911 10.276 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.275 9.697 8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.634 9.624 10.129 1.00 0.00 H new ATOM 814 N THR A 51 1.702 6.774 8.977 1.00 0.00 N ATOM 815 CA THR A 51 2.234 6.495 7.647 1.00 0.00 C ATOM 816 C THR A 51 1.617 5.229 7.063 1.00 0.00 C ATOM 817 O THR A 51 1.169 5.218 5.916 1.00 0.00 O ATOM 818 CB THR A 51 3.756 6.353 7.705 1.00 0.00 C ATOM 819 OG1 THR A 51 4.313 7.287 8.611 1.00 0.00 O ATOM 820 CG2 THR A 51 4.426 6.556 6.365 1.00 0.00 C ATOM 0 H THR A 51 2.351 6.581 9.740 1.00 0.00 H new ATOM 0 HA THR A 51 1.976 7.333 6.999 1.00 0.00 H new ATOM 0 HB THR A 51 3.939 5.330 8.033 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.361 8.168 8.184 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.504 6.442 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.054 5.816 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.203 7.557 5.995 1.00 0.00 H new ATOM 828 N LEU A 52 1.600 4.163 7.855 1.00 0.00 N ATOM 829 CA LEU A 52 1.041 2.889 7.414 1.00 0.00 C ATOM 830 C LEU A 52 -0.411 3.052 6.978 1.00 0.00 C ATOM 831 O LEU A 52 -0.815 2.551 5.929 1.00 0.00 O ATOM 832 CB LEU A 52 1.136 1.851 8.533 1.00 0.00 C ATOM 833 CG LEU A 52 2.531 1.680 9.140 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.436 1.434 10.638 1.00 0.00 C ATOM 835 CD2 LEU A 52 3.273 0.541 8.458 1.00 0.00 C ATOM 0 H LEU A 52 1.967 4.155 8.807 1.00 0.00 H new ATOM 0 HA LEU A 52 1.621 2.544 6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.443 2.130 9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.805 0.888 8.144 1.00 0.00 H new ATOM 0 HG LEU A 52 3.091 2.601 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.438 1.315 11.051 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.945 2.282 11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.858 0.529 10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.263 0.434 8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.715 -0.386 8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.374 0.758 7.395 1.00 0.00 H new ATOM 847 N LYS A 53 -1.194 3.756 7.789 1.00 0.00 N ATOM 848 CA LYS A 53 -2.601 3.985 7.485 1.00 0.00 C ATOM 849 C LYS A 53 -2.756 4.725 6.159 1.00 0.00 C ATOM 850 O LYS A 53 -3.752 4.554 5.455 1.00 0.00 O ATOM 851 CB LYS A 53 -3.266 4.782 8.609 1.00 0.00 C ATOM 852 CG LYS A 53 -2.555 6.087 8.932 1.00 0.00 C ATOM 853 CD LYS A 53 -3.390 6.960 9.855 1.00 0.00 C ATOM 854 CE LYS A 53 -3.540 6.331 11.231 1.00 0.00 C ATOM 855 NZ LYS A 53 -4.923 6.482 11.763 1.00 0.00 N ATOM 0 H LYS A 53 -0.877 4.178 8.662 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.091 3.015 7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.297 4.999 8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.303 4.166 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.595 5.873 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.346 6.627 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.924 7.940 9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.375 7.117 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.286 5.272 11.176 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.833 6.793 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.984 6.040 12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.157 7.492 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.595 6.019 11.119 1.00 0.00 H new ATOM 869 N LYS A 54 -1.765 5.543 5.824 1.00 0.00 N ATOM 870 CA LYS A 54 -1.789 6.305 4.581 1.00 0.00 C ATOM 871 C LYS A 54 -1.781 5.372 3.373 1.00 0.00 C ATOM 872 O LYS A 54 -2.685 5.417 2.538 1.00 0.00 O ATOM 873 CB LYS A 54 -0.594 7.260 4.520 1.00 0.00 C ATOM 874 CG LYS A 54 -0.987 8.728 4.537 1.00 0.00 C ATOM 875 CD LYS A 54 -1.835 9.065 5.753 1.00 0.00 C ATOM 876 CE LYS A 54 -1.893 10.565 5.993 1.00 0.00 C ATOM 877 NZ LYS A 54 -3.042 10.944 6.862 1.00 0.00 N ATOM 0 H LYS A 54 -0.934 5.696 6.396 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.709 6.890 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.065 7.059 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.022 7.056 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.089 9.346 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.540 8.968 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.844 8.679 5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.424 8.570 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.963 10.895 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.974 11.083 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.046 11.975 7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.931 10.652 6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.952 10.470 7.783 1.00 0.00 H new ATOM 891 N LEU A 55 -0.760 4.526 3.290 1.00 0.00 N ATOM 892 CA LEU A 55 -0.638 3.581 2.186 1.00 0.00 C ATOM 893 C LEU A 55 -1.862 2.674 2.094 1.00 0.00 C ATOM 894 O LEU A 55 -2.181 2.158 1.024 1.00 0.00 O ATOM 895 CB LEU A 55 0.630 2.738 2.339 1.00 0.00 C ATOM 896 CG LEU A 55 1.893 3.359 1.730 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.799 3.937 2.807 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.649 2.329 0.907 1.00 0.00 C ATOM 0 H LEU A 55 -0.005 4.475 3.974 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.572 4.157 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.805 2.560 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.461 1.766 1.876 1.00 0.00 H new ATOM 0 HG LEU A 55 1.581 4.174 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.685 4.370 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.263 4.711 3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.099 3.145 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.542 2.787 0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.938 1.494 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.010 1.966 0.102 1.00 0.00 H new ATOM 910 N ALA A 56 -2.545 2.487 3.217 1.00 0.00 N ATOM 911 CA ALA A 56 -3.733 1.644 3.251 1.00 0.00 C ATOM 912 C ALA A 56 -4.957 2.404 2.753 1.00 0.00 C ATOM 913 O ALA A 56 -5.690 1.922 1.891 1.00 0.00 O ATOM 914 CB ALA A 56 -3.971 1.121 4.660 1.00 0.00 C ATOM 0 H ALA A 56 -2.297 2.906 4.113 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.567 0.797 2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.862 0.493 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.110 0.534 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.112 1.961 5.341 1.00 0.00 H new ATOM 920 N GLU A 57 -5.173 3.598 3.296 1.00 0.00 N ATOM 921 CA GLU A 57 -6.310 4.422 2.897 1.00 0.00 C ATOM 922 C GLU A 57 -6.408 4.519 1.376 1.00 0.00 C ATOM 923 O GLU A 57 -7.496 4.687 0.824 1.00 0.00 O ATOM 924 CB GLU A 57 -6.189 5.823 3.503 1.00 0.00 C ATOM 925 CG GLU A 57 -6.188 5.830 5.022 1.00 0.00 C ATOM 926 CD GLU A 57 -7.427 6.482 5.604 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.521 5.890 5.482 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.305 7.582 6.183 1.00 0.00 O ATOM 0 H GLU A 57 -4.578 4.016 4.011 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.218 3.948 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.270 6.286 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.016 6.437 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.116 4.805 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.303 6.357 5.378 1.00 0.00 H new ATOM 935 N SER A 58 -5.264 4.407 0.706 1.00 0.00 N ATOM 936 CA SER A 58 -5.219 4.476 -0.750 1.00 0.00 C ATOM 937 C SER A 58 -5.294 3.080 -1.359 1.00 0.00 C ATOM 938 O SER A 58 -6.033 2.848 -2.317 1.00 0.00 O ATOM 939 CB SER A 58 -3.940 5.179 -1.211 1.00 0.00 C ATOM 940 OG SER A 58 -4.191 6.016 -2.326 1.00 0.00 O ATOM 0 H SER A 58 -4.356 4.268 1.149 1.00 0.00 H new ATOM 0 HA SER A 58 -6.081 5.050 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.532 5.772 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.187 4.436 -1.473 1.00 0.00 H new ATOM 0 HG SER A 58 -3.358 6.455 -2.600 1.00 0.00 H new ATOM 946 N LEU A 59 -4.528 2.150 -0.794 1.00 0.00 N ATOM 947 CA LEU A 59 -4.509 0.771 -1.275 1.00 0.00 C ATOM 948 C LEU A 59 -3.897 0.688 -2.673 1.00 0.00 C ATOM 949 O LEU A 59 -4.458 0.066 -3.575 1.00 0.00 O ATOM 950 CB LEU A 59 -5.933 0.192 -1.277 1.00 0.00 C ATOM 951 CG LEU A 59 -6.134 -1.093 -0.463 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.758 -2.312 -1.287 1.00 0.00 C ATOM 953 CD2 LEU A 59 -5.329 -1.059 0.830 1.00 0.00 C ATOM 0 H LEU A 59 -3.911 2.327 -0.001 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.889 0.181 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.614 0.952 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.223 -0.005 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.190 -1.160 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.907 -3.213 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.385 -2.357 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.711 -2.242 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.492 -1.983 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.269 -0.959 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.649 -0.211 1.436 1.00 0.00 H new ATOM 965 N SER A 60 -2.737 1.316 -2.843 1.00 0.00 N ATOM 966 CA SER A 60 -2.043 1.312 -4.126 1.00 0.00 C ATOM 967 C SER A 60 -0.540 1.137 -3.927 1.00 0.00 C ATOM 968 O SER A 60 0.015 1.566 -2.917 1.00 0.00 O ATOM 969 CB SER A 60 -2.322 2.610 -4.886 1.00 0.00 C ATOM 970 OG SER A 60 -3.433 2.464 -5.754 1.00 0.00 O ATOM 0 H SER A 60 -2.258 1.835 -2.107 1.00 0.00 H new ATOM 0 HA SER A 60 -2.416 0.472 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.513 3.416 -4.178 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.441 2.894 -5.462 1.00 0.00 H new ATOM 0 HG SER A 60 -3.592 3.308 -6.227 1.00 0.00 H new ATOM 976 N SER A 61 0.114 0.501 -4.895 1.00 0.00 N ATOM 977 CA SER A 61 1.553 0.271 -4.817 1.00 0.00 C ATOM 978 C SER A 61 2.313 1.244 -5.713 1.00 0.00 C ATOM 979 O SER A 61 2.654 0.921 -6.851 1.00 0.00 O ATOM 980 CB SER A 61 1.882 -1.169 -5.217 1.00 0.00 C ATOM 981 OG SER A 61 1.225 -1.526 -6.422 1.00 0.00 O ATOM 0 H SER A 61 -0.328 0.137 -5.739 1.00 0.00 H new ATOM 0 HA SER A 61 1.865 0.437 -3.786 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.959 -1.279 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.582 -1.849 -4.420 1.00 0.00 H new ATOM 0 HG SER A 61 1.440 -0.871 -7.118 1.00 0.00 H new ATOM 987 N ASP A 62 2.582 2.438 -5.189 1.00 0.00 N ATOM 988 CA ASP A 62 3.307 3.458 -5.935 1.00 0.00 C ATOM 989 C ASP A 62 4.522 3.946 -5.147 1.00 0.00 C ATOM 990 O ASP A 62 4.551 3.852 -3.924 1.00 0.00 O ATOM 991 CB ASP A 62 2.388 4.637 -6.257 1.00 0.00 C ATOM 992 CG ASP A 62 1.661 4.460 -7.576 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.316 3.308 -7.914 1.00 0.00 O ATOM 994 OD2 ASP A 62 1.437 5.473 -8.271 1.00 0.00 O ATOM 0 H ASP A 62 2.307 2.721 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 62 3.653 3.013 -6.868 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.658 4.755 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.976 5.554 -6.290 1.00 0.00 H new ATOM 999 N PRO A 63 5.547 4.467 -5.844 1.00 0.00 N ATOM 1000 CA PRO A 63 6.762 4.963 -5.212 1.00 0.00 C ATOM 1001 C PRO A 63 6.671 6.442 -4.831 1.00 0.00 C ATOM 1002 O PRO A 63 6.957 6.815 -3.695 1.00 0.00 O ATOM 1003 CB PRO A 63 7.808 4.751 -6.303 1.00 0.00 C ATOM 1004 CG PRO A 63 7.064 4.892 -7.593 1.00 0.00 C ATOM 1005 CD PRO A 63 5.607 4.598 -7.308 1.00 0.00 C ATOM 0 HA PRO A 63 6.979 4.454 -4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.609 5.486 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.269 3.767 -6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.181 5.898 -7.996 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.456 4.202 -8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.961 5.401 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.280 3.684 -7.804 1.00 0.00 H new ATOM 1013 N GLU A 64 6.276 7.280 -5.788 1.00 0.00 N ATOM 1014 CA GLU A 64 6.156 8.716 -5.548 1.00 0.00 C ATOM 1015 C GLU A 64 4.994 9.019 -4.604 1.00 0.00 C ATOM 1016 O GLU A 64 5.104 9.874 -3.722 1.00 0.00 O ATOM 1017 CB GLU A 64 5.965 9.466 -6.868 1.00 0.00 C ATOM 1018 CG GLU A 64 4.872 8.885 -7.751 1.00 0.00 C ATOM 1019 CD GLU A 64 3.687 9.819 -7.906 1.00 0.00 C ATOM 1020 OE1 GLU A 64 3.172 10.299 -6.874 1.00 0.00 O ATOM 1021 OE2 GLU A 64 3.274 10.071 -9.058 1.00 0.00 O ATOM 0 H GLU A 64 6.034 6.989 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 64 7.079 9.054 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.729 10.508 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.906 9.459 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.285 8.662 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.532 7.940 -7.327 1.00 0.00 H new ATOM 1028 N VAL A 65 3.886 8.309 -4.790 1.00 0.00 N ATOM 1029 CA VAL A 65 2.706 8.499 -3.950 1.00 0.00 C ATOM 1030 C VAL A 65 3.073 8.398 -2.473 1.00 0.00 C ATOM 1031 O VAL A 65 2.402 8.970 -1.615 1.00 0.00 O ATOM 1032 CB VAL A 65 1.614 7.456 -4.265 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.369 7.715 -3.431 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.275 7.460 -5.749 1.00 0.00 C ATOM 0 H VAL A 65 3.779 7.598 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 65 2.318 9.494 -4.166 1.00 0.00 H new ATOM 0 HB VAL A 65 2.001 6.470 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.389 6.969 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.621 7.653 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.018 8.709 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.503 6.717 -5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.912 8.447 -6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.167 7.219 -6.327 1.00 0.00 H new ATOM 1044 N LEU A 66 4.142 7.663 -2.191 1.00 0.00 N ATOM 1045 CA LEU A 66 4.606 7.474 -0.825 1.00 0.00 C ATOM 1046 C LEU A 66 5.532 8.605 -0.401 1.00 0.00 C ATOM 1047 O LEU A 66 5.597 8.960 0.777 1.00 0.00 O ATOM 1048 CB LEU A 66 5.313 6.128 -0.706 1.00 0.00 C ATOM 1049 CG LEU A 66 4.554 4.966 -1.344 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.348 3.675 -1.249 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.197 4.809 -0.686 1.00 0.00 C ATOM 0 H LEU A 66 4.705 7.187 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 66 3.744 7.485 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.296 6.204 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.475 5.907 0.349 1.00 0.00 H new ATOM 0 HG LEU A 66 4.410 5.189 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.783 2.866 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.300 3.794 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.532 3.437 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.663 3.978 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.329 4.610 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.622 5.726 -0.815 1.00 0.00 H new ATOM 1063 N LEU A 67 6.243 9.178 -1.367 1.00 0.00 N ATOM 1064 CA LEU A 67 7.157 10.279 -1.089 1.00 0.00 C ATOM 1065 C LEU A 67 6.421 11.414 -0.386 1.00 0.00 C ATOM 1066 O LEU A 67 6.979 12.090 0.479 1.00 0.00 O ATOM 1067 CB LEU A 67 7.784 10.790 -2.387 1.00 0.00 C ATOM 1068 CG LEU A 67 9.160 11.439 -2.235 1.00 0.00 C ATOM 1069 CD1 LEU A 67 9.138 12.497 -1.144 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.215 10.384 -1.936 1.00 0.00 C ATOM 0 H LEU A 67 6.204 8.898 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 67 7.949 9.913 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.869 9.956 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.106 11.515 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 67 9.415 11.926 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.127 12.946 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.412 13.268 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.860 12.036 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.189 10.863 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.962 9.869 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.251 9.664 -2.753 1.00 0.00 H new ATOM 1082 N GLN A 68 5.162 11.608 -0.760 1.00 0.00 N ATOM 1083 CA GLN A 68 4.337 12.653 -0.165 1.00 0.00 C ATOM 1084 C GLN A 68 3.792 12.217 1.192 1.00 0.00 C ATOM 1085 O GLN A 68 3.421 13.051 2.018 1.00 0.00 O ATOM 1086 CB GLN A 68 3.181 13.013 -1.101 1.00 0.00 C ATOM 1087 CG GLN A 68 3.607 13.216 -2.546 1.00 0.00 C ATOM 1088 CD GLN A 68 2.962 14.432 -3.179 1.00 0.00 C ATOM 1089 OE1 GLN A 68 2.126 14.312 -4.073 1.00 0.00 O ATOM 1090 NE2 GLN A 68 3.350 15.616 -2.716 1.00 0.00 N ATOM 0 H GLN A 68 4.689 11.054 -1.474 1.00 0.00 H new ATOM 0 HA GLN A 68 4.964 13.532 -0.016 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.432 12.222 -1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.703 13.924 -0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.691 13.320 -2.590 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.348 12.329 -3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.047 15.670 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.951 16.471 -3.104 1.00 0.00 H new ATOM 1099 N ILE A 69 3.746 10.906 1.420 1.00 0.00 N ATOM 1100 CA ILE A 69 3.247 10.367 2.681 1.00 0.00 C ATOM 1101 C ILE A 69 4.133 10.794 3.845 1.00 0.00 C ATOM 1102 O ILE A 69 5.359 10.727 3.763 1.00 0.00 O ATOM 1103 CB ILE A 69 3.171 8.824 2.638 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.273 8.368 1.487 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.668 8.270 3.966 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.795 8.575 1.740 1.00 0.00 C ATOM 0 H ILE A 69 4.048 10.200 0.749 1.00 0.00 H new ATOM 0 HA ILE A 69 2.244 10.767 2.828 1.00 0.00 H new ATOM 0 HB ILE A 69 4.175 8.434 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.556 8.908 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.454 7.310 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.623 7.182 3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.348 8.566 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.673 8.665 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.226 8.227 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.495 8.012 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.598 9.635 1.900 1.00 0.00 H new ATOM 1118 N ASP A 70 3.503 11.235 4.928 1.00 0.00 N ATOM 1119 CA ASP A 70 4.232 11.676 6.112 1.00 0.00 C ATOM 1120 C ASP A 70 4.982 10.514 6.756 1.00 0.00 C ATOM 1121 O ASP A 70 4.371 9.550 7.220 1.00 0.00 O ATOM 1122 CB ASP A 70 3.271 12.304 7.124 1.00 0.00 C ATOM 1123 CG ASP A 70 3.850 13.541 7.781 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.243 14.474 7.049 1.00 0.00 O ATOM 1125 OD2 ASP A 70 3.913 13.577 9.028 1.00 0.00 O ATOM 0 H ASP A 70 2.488 11.297 5.011 1.00 0.00 H new ATOM 0 HA ASP A 70 4.961 12.425 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.339 12.565 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.025 11.570 7.891 1.00 0.00 H new ATOM 1130 N GLY A 71 6.306 10.611 6.781 1.00 0.00 N ATOM 1131 CA GLY A 71 7.117 9.560 7.371 1.00 0.00 C ATOM 1132 C GLY A 71 7.964 8.832 6.346 1.00 0.00 C ATOM 1133 O GLY A 71 9.023 8.298 6.673 1.00 0.00 O ATOM 0 H GLY A 71 6.833 11.398 6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.766 9.992 8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.467 8.844 7.874 1.00 0.00 H new ATOM 1137 N VAL A 72 7.495 8.808 5.102 1.00 0.00 N ATOM 1138 CA VAL A 72 8.218 8.137 4.028 1.00 0.00 C ATOM 1139 C VAL A 72 9.037 9.129 3.210 1.00 0.00 C ATOM 1140 O VAL A 72 8.499 10.084 2.651 1.00 0.00 O ATOM 1141 CB VAL A 72 7.257 7.387 3.085 1.00 0.00 C ATOM 1142 CG1 VAL A 72 8.035 6.540 2.090 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.288 6.529 3.884 1.00 0.00 C ATOM 0 H VAL A 72 6.619 9.245 4.814 1.00 0.00 H new ATOM 0 HA VAL A 72 8.887 7.419 4.502 1.00 0.00 H new ATOM 0 HB VAL A 72 6.680 8.123 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.339 6.019 1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.684 7.182 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.641 5.811 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.617 6.007 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.847 5.801 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.705 7.164 4.551 1.00 0.00 H new ATOM 1153 N THR A 73 10.344 8.894 3.145 1.00 0.00 N ATOM 1154 CA THR A 73 11.240 9.765 2.394 1.00 0.00 C ATOM 1155 C THR A 73 11.806 9.043 1.175 1.00 0.00 C ATOM 1156 O THR A 73 11.458 7.893 0.906 1.00 0.00 O ATOM 1157 CB THR A 73 12.383 10.250 3.289 1.00 0.00 C ATOM 1158 OG1 THR A 73 13.085 9.153 3.844 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.916 11.122 4.434 1.00 0.00 C ATOM 0 H THR A 73 10.805 8.108 3.603 1.00 0.00 H new ATOM 0 HA THR A 73 10.666 10.625 2.051 1.00 0.00 H new ATOM 0 HB THR A 73 13.027 10.843 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.694 9.473 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.775 11.432 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.412 12.004 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.224 10.560 5.061 1.00 0.00 H new ATOM 1167 N GLU A 74 12.680 9.724 0.442 1.00 0.00 N ATOM 1168 CA GLU A 74 13.294 9.146 -0.749 1.00 0.00 C ATOM 1169 C GLU A 74 14.211 7.984 -0.381 1.00 0.00 C ATOM 1170 O GLU A 74 14.392 7.052 -1.164 1.00 0.00 O ATOM 1171 CB GLU A 74 14.083 10.213 -1.509 1.00 0.00 C ATOM 1172 CG GLU A 74 14.598 9.743 -2.859 1.00 0.00 C ATOM 1173 CD GLU A 74 14.493 10.815 -3.927 1.00 0.00 C ATOM 1174 OE1 GLU A 74 13.584 11.667 -3.826 1.00 0.00 O ATOM 1175 OE2 GLU A 74 15.320 10.803 -4.863 1.00 0.00 O ATOM 0 H GLU A 74 12.979 10.676 0.651 1.00 0.00 H new ATOM 0 HA GLU A 74 12.498 8.766 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.448 11.087 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.928 10.532 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.639 9.435 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.034 8.865 -3.174 1.00 0.00 H new ATOM 1182 N ASP A 75 14.789 8.046 0.815 1.00 0.00 N ATOM 1183 CA ASP A 75 15.686 6.997 1.284 1.00 0.00 C ATOM 1184 C ASP A 75 14.903 5.781 1.768 1.00 0.00 C ATOM 1185 O ASP A 75 15.342 4.643 1.604 1.00 0.00 O ATOM 1186 CB ASP A 75 16.574 7.528 2.411 1.00 0.00 C ATOM 1187 CG ASP A 75 15.768 8.118 3.552 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.122 7.341 4.286 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.783 9.357 3.711 1.00 0.00 O ATOM 0 H ASP A 75 14.652 8.811 1.476 1.00 0.00 H new ATOM 0 HA ASP A 75 16.313 6.689 0.447 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.198 6.719 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.246 8.288 2.013 1.00 0.00 H new ATOM 1194 N LYS A 76 13.743 6.031 2.367 1.00 0.00 N ATOM 1195 CA LYS A 76 12.900 4.956 2.876 1.00 0.00 C ATOM 1196 C LYS A 76 12.258 4.175 1.733 1.00 0.00 C ATOM 1197 O LYS A 76 12.102 2.958 1.811 1.00 0.00 O ATOM 1198 CB LYS A 76 11.815 5.521 3.796 1.00 0.00 C ATOM 1199 CG LYS A 76 12.367 6.222 5.026 1.00 0.00 C ATOM 1200 CD LYS A 76 11.547 5.903 6.266 1.00 0.00 C ATOM 1201 CE LYS A 76 11.948 6.779 7.441 1.00 0.00 C ATOM 1202 NZ LYS A 76 10.776 7.161 8.275 1.00 0.00 N ATOM 0 H LYS A 76 13.366 6.968 2.512 1.00 0.00 H new ATOM 0 HA LYS A 76 13.532 4.275 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.201 6.224 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.160 4.709 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.402 5.918 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.373 7.299 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.488 6.045 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.680 4.854 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.675 6.249 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.439 7.679 7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.028 7.970 8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.981 7.424 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.498 6.357 8.873 1.00 0.00 H new ATOM 1216 N LEU A 77 11.886 4.886 0.673 1.00 0.00 N ATOM 1217 CA LEU A 77 11.259 4.256 -0.485 1.00 0.00 C ATOM 1218 C LEU A 77 12.306 3.660 -1.427 1.00 0.00 C ATOM 1219 O LEU A 77 11.971 2.903 -2.337 1.00 0.00 O ATOM 1220 CB LEU A 77 10.397 5.273 -1.237 1.00 0.00 C ATOM 1221 CG LEU A 77 9.108 4.712 -1.840 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.425 3.660 -2.893 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.213 4.130 -0.754 1.00 0.00 C ATOM 0 H LEU A 77 12.007 5.895 0.591 1.00 0.00 H new ATOM 0 HA LEU A 77 10.626 3.445 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.138 6.082 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.994 5.710 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 77 8.572 5.530 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.496 3.272 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.021 4.109 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.985 2.845 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.302 3.737 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.740 3.326 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.955 4.910 -0.038 1.00 0.00 H new ATOM 1235 N GLU A 78 13.572 4.000 -1.206 1.00 0.00 N ATOM 1236 CA GLU A 78 14.651 3.488 -2.041 1.00 0.00 C ATOM 1237 C GLU A 78 15.218 2.196 -1.461 1.00 0.00 C ATOM 1238 O GLU A 78 15.658 1.313 -2.197 1.00 0.00 O ATOM 1239 CB GLU A 78 15.760 4.532 -2.177 1.00 0.00 C ATOM 1240 CG GLU A 78 16.825 4.158 -3.195 1.00 0.00 C ATOM 1241 CD GLU A 78 18.145 4.862 -2.944 1.00 0.00 C ATOM 1242 OE1 GLU A 78 18.121 6.012 -2.457 1.00 0.00 O ATOM 1243 OE2 GLU A 78 19.202 4.264 -3.237 1.00 0.00 O ATOM 0 H GLU A 78 13.874 4.625 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 78 14.243 3.274 -3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.317 5.486 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.233 4.677 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.982 3.080 -3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.470 4.406 -4.195 1.00 0.00 H new ATOM 1250 N LYS A 79 15.210 2.096 -0.135 1.00 0.00 N ATOM 1251 CA LYS A 79 15.728 0.916 0.548 1.00 0.00 C ATOM 1252 C LYS A 79 14.605 -0.058 0.900 1.00 0.00 C ATOM 1253 O LYS A 79 14.712 -1.259 0.649 1.00 0.00 O ATOM 1254 CB LYS A 79 16.476 1.326 1.818 1.00 0.00 C ATOM 1255 CG LYS A 79 17.697 0.469 2.107 1.00 0.00 C ATOM 1256 CD LYS A 79 18.858 1.307 2.618 1.00 0.00 C ATOM 1257 CE LYS A 79 18.764 1.535 4.118 1.00 0.00 C ATOM 1258 NZ LYS A 79 19.397 2.818 4.527 1.00 0.00 N ATOM 0 H LYS A 79 14.850 2.819 0.488 1.00 0.00 H new ATOM 0 HA LYS A 79 16.417 0.413 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.786 2.367 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.794 1.270 2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.443 -0.291 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.997 -0.056 1.200 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.799 0.809 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.869 2.268 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.717 1.535 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.247 0.710 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.311 2.935 5.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.403 2.809 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.920 3.609 4.048 1.00 0.00 H new ATOM 1272 N TYR A 80 13.536 0.464 1.492 1.00 0.00 N ATOM 1273 CA TYR A 80 12.400 -0.362 1.888 1.00 0.00 C ATOM 1274 C TYR A 80 11.396 -0.521 0.750 1.00 0.00 C ATOM 1275 O TYR A 80 10.629 -1.483 0.722 1.00 0.00 O ATOM 1276 CB TYR A 80 11.708 0.243 3.112 1.00 0.00 C ATOM 1277 CG TYR A 80 12.651 0.525 4.260 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.461 -0.476 4.779 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.729 1.792 4.824 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.323 -0.222 5.828 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.590 2.054 5.873 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.384 1.043 6.372 1.00 0.00 C ATOM 1283 OH TYR A 80 15.242 1.300 7.417 1.00 0.00 O ATOM 0 H TYR A 80 13.432 1.455 1.708 1.00 0.00 H new ATOM 0 HA TYR A 80 12.783 -1.351 2.139 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.216 1.171 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.928 -0.438 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.416 -1.469 4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.107 2.585 4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.947 -1.012 6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.641 3.045 6.299 1.00 0.00 H new ATOM 0 HH TYR A 80 15.163 2.240 7.682 1.00 0.00 H new ATOM 1293 N GLY A 81 11.398 0.427 -0.183 1.00 0.00 N ATOM 1294 CA GLY A 81 10.475 0.370 -1.307 1.00 0.00 C ATOM 1295 C GLY A 81 10.442 -0.991 -1.977 1.00 0.00 C ATOM 1296 O GLY A 81 9.436 -1.374 -2.574 1.00 0.00 O ATOM 0 H GLY A 81 12.022 1.234 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.473 0.623 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.758 1.124 -2.041 1.00 0.00 H new ATOM 1300 N ALA A 82 11.545 -1.725 -1.883 1.00 0.00 N ATOM 1301 CA ALA A 82 11.634 -3.048 -2.488 1.00 0.00 C ATOM 1302 C ALA A 82 10.840 -4.076 -1.685 1.00 0.00 C ATOM 1303 O ALA A 82 10.399 -5.091 -2.224 1.00 0.00 O ATOM 1304 CB ALA A 82 13.089 -3.475 -2.607 1.00 0.00 C ATOM 0 H ALA A 82 12.389 -1.426 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 82 11.199 -2.995 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.142 -4.465 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.628 -2.761 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.542 -3.505 -1.616 1.00 0.00 H new ATOM 1310 N GLU A 83 10.665 -3.809 -0.394 1.00 0.00 N ATOM 1311 CA GLU A 83 9.928 -4.714 0.480 1.00 0.00 C ATOM 1312 C GLU A 83 8.471 -4.279 0.626 1.00 0.00 C ATOM 1313 O GLU A 83 7.554 -5.039 0.310 1.00 0.00 O ATOM 1314 CB GLU A 83 10.595 -4.782 1.855 1.00 0.00 C ATOM 1315 CG GLU A 83 10.850 -6.200 2.338 1.00 0.00 C ATOM 1316 CD GLU A 83 12.179 -6.750 1.856 1.00 0.00 C ATOM 1317 OE1 GLU A 83 12.719 -6.216 0.865 1.00 0.00 O ATOM 1318 OE2 GLU A 83 12.680 -7.715 2.471 1.00 0.00 O ATOM 0 H GLU A 83 11.023 -2.974 0.069 1.00 0.00 H new ATOM 0 HA GLU A 83 9.942 -5.705 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.542 -4.244 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.965 -4.268 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.827 -6.218 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.045 -6.848 1.991 1.00 0.00 H new ATOM 1325 N VAL A 84 8.264 -3.058 1.111 1.00 0.00 N ATOM 1326 CA VAL A 84 6.916 -2.529 1.305 1.00 0.00 C ATOM 1327 C VAL A 84 6.053 -2.726 0.061 1.00 0.00 C ATOM 1328 O VAL A 84 4.966 -3.302 0.135 1.00 0.00 O ATOM 1329 CB VAL A 84 6.932 -1.032 1.672 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.298 -0.844 3.135 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.886 -0.259 0.772 1.00 0.00 C ATOM 0 H VAL A 84 9.011 -2.416 1.377 1.00 0.00 H new ATOM 0 HA VAL A 84 6.486 -3.090 2.135 1.00 0.00 H new ATOM 0 HB VAL A 84 5.929 -0.634 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.304 0.219 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.566 -1.353 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.287 -1.263 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.878 0.794 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.895 -0.657 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.569 -0.360 -0.266 1.00 0.00 H new ATOM 1341 N ILE A 85 6.539 -2.249 -1.081 1.00 0.00 N ATOM 1342 CA ILE A 85 5.805 -2.377 -2.334 1.00 0.00 C ATOM 1343 C ILE A 85 5.562 -3.842 -2.681 1.00 0.00 C ATOM 1344 O ILE A 85 4.603 -4.172 -3.375 1.00 0.00 O ATOM 1345 CB ILE A 85 6.550 -1.697 -3.500 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.873 -0.243 -3.147 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.720 -1.770 -4.778 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.477 0.539 -4.294 1.00 0.00 C ATOM 0 H ILE A 85 7.436 -1.771 -1.164 1.00 0.00 H new ATOM 0 HA ILE A 85 4.847 -1.877 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 85 7.487 -2.226 -3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.960 0.254 -2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.564 -0.227 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.261 -1.285 -5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.538 -2.814 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.768 -1.263 -4.623 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.680 1.560 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.408 0.066 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.779 0.555 -5.131 1.00 0.00 H new ATOM 1360 N SER A 86 6.428 -4.720 -2.189 1.00 0.00 N ATOM 1361 CA SER A 86 6.290 -6.148 -2.450 1.00 0.00 C ATOM 1362 C SER A 86 4.956 -6.657 -1.917 1.00 0.00 C ATOM 1363 O SER A 86 4.343 -7.556 -2.494 1.00 0.00 O ATOM 1364 CB SER A 86 7.441 -6.922 -1.806 1.00 0.00 C ATOM 1365 OG SER A 86 7.577 -8.208 -2.384 1.00 0.00 O ATOM 0 H SER A 86 7.230 -4.470 -1.610 1.00 0.00 H new ATOM 0 HA SER A 86 6.322 -6.306 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.370 -6.365 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.264 -7.018 -0.735 1.00 0.00 H new ATOM 0 HG SER A 86 8.320 -8.682 -1.956 1.00 0.00 H new ATOM 1371 N VAL A 87 4.511 -6.072 -0.810 1.00 0.00 N ATOM 1372 CA VAL A 87 3.250 -6.456 -0.188 1.00 0.00 C ATOM 1373 C VAL A 87 2.086 -5.623 -0.724 1.00 0.00 C ATOM 1374 O VAL A 87 0.925 -6.015 -0.601 1.00 0.00 O ATOM 1375 CB VAL A 87 3.311 -6.298 1.345 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.101 -6.949 1.997 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.602 -6.887 1.893 1.00 0.00 C ATOM 0 H VAL A 87 5.008 -5.326 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 87 3.085 -7.504 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 87 3.295 -5.234 1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.161 -6.828 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.191 -6.476 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.083 -8.011 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.626 -6.766 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.652 -7.947 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.454 -6.371 1.451 1.00 0.00 H new ATOM 1387 N LEU A 88 2.399 -4.470 -1.309 1.00 0.00 N ATOM 1388 CA LEU A 88 1.372 -3.582 -1.846 1.00 0.00 C ATOM 1389 C LEU A 88 0.971 -3.974 -3.267 1.00 0.00 C ATOM 1390 O LEU A 88 -0.114 -3.626 -3.731 1.00 0.00 O ATOM 1391 CB LEU A 88 1.860 -2.133 -1.825 1.00 0.00 C ATOM 1392 CG LEU A 88 1.795 -1.449 -0.457 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.164 -0.927 -0.052 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.773 -0.320 -0.462 1.00 0.00 C ATOM 0 H LEU A 88 3.354 -4.129 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 88 0.492 -3.678 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.891 -2.107 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.266 -1.555 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 88 1.479 -2.191 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.096 -0.445 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.868 -1.757 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.511 -0.205 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.745 0.150 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.053 0.421 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.212 -0.722 -0.700 1.00 0.00 H new ATOM 1406 N GLN A 89 1.849 -4.695 -3.958 1.00 0.00 N ATOM 1407 CA GLN A 89 1.580 -5.124 -5.327 1.00 0.00 C ATOM 1408 C GLN A 89 0.215 -5.800 -5.431 1.00 0.00 C ATOM 1409 O GLN A 89 -0.464 -5.701 -6.455 1.00 0.00 O ATOM 1410 CB GLN A 89 2.676 -6.078 -5.807 1.00 0.00 C ATOM 1411 CG GLN A 89 2.457 -6.598 -7.221 1.00 0.00 C ATOM 1412 CD GLN A 89 3.603 -6.252 -8.153 1.00 0.00 C ATOM 1413 OE1 GLN A 89 4.769 -6.287 -7.763 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.272 -5.915 -9.396 1.00 0.00 N ATOM 0 H GLN A 89 2.753 -4.995 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 89 1.573 -4.239 -5.964 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.637 -5.565 -5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.734 -6.924 -5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.332 -7.680 -7.191 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.532 -6.181 -7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.291 -5.899 -9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.999 -5.672 -10.069 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.184 -6.484 -4.364 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.470 -7.174 -4.333 1.00 0.00 C ATOM 1425 C LYS A 90 -2.623 -6.176 -4.347 1.00 0.00 C ATOM 1426 O LYS A 90 -3.700 -6.463 -4.870 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.568 -8.060 -3.089 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.306 -8.857 -2.807 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.546 -9.928 -1.753 1.00 0.00 C ATOM 1430 CE LYS A 90 0.558 -9.942 -0.708 1.00 0.00 C ATOM 1431 NZ LYS A 90 0.447 -11.115 0.204 1.00 0.00 N ATOM 0 H LYS A 90 0.364 -6.576 -3.509 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.539 -7.798 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.793 -7.435 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.403 -8.750 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.044 -9.323 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.483 -8.184 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.506 -9.752 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.606 -10.905 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.528 -9.960 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.516 -9.023 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.218 -11.087 0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.468 -11.085 0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.513 -11.993 -0.350 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.391 -5.004 -3.767 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.408 -3.962 -3.708 1.00 0.00 C ATOM 1447 C TYR A 91 -3.721 -3.421 -5.099 1.00 0.00 C ATOM 1448 O TYR A 91 -4.878 -3.383 -5.515 1.00 0.00 O ATOM 1449 CB TYR A 91 -2.944 -2.821 -2.804 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.460 -3.273 -1.442 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.911 -4.459 -0.872 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.546 -2.510 -0.731 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.461 -4.868 0.370 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.092 -2.912 0.511 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.551 -4.092 1.055 1.00 0.00 C ATOM 1456 OH TYR A 91 -1.099 -4.496 2.289 1.00 0.00 O ATOM 0 H TYR A 91 -1.505 -4.752 -3.330 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.316 -4.403 -3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.140 -2.280 -3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.767 -2.119 -2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.623 -5.069 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.183 -1.586 -1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.821 -5.791 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.381 -2.305 1.052 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.911 -3.709 2.842 1.00 0.00 H new ATOM 1466 N SER A 92 -2.681 -2.998 -5.811 1.00 0.00 N ATOM 1467 CA SER A 92 -2.847 -2.454 -7.155 1.00 0.00 C ATOM 1468 C SER A 92 -3.604 -3.428 -8.053 1.00 0.00 C ATOM 1469 O SER A 92 -4.315 -3.018 -8.970 1.00 0.00 O ATOM 1470 CB SER A 92 -1.483 -2.132 -7.768 1.00 0.00 C ATOM 1471 OG SER A 92 -1.585 -1.939 -9.169 1.00 0.00 O ATOM 0 H SER A 92 -1.716 -3.021 -5.481 1.00 0.00 H new ATOM 0 HA SER A 92 -3.431 -1.537 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.075 -1.235 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.786 -2.944 -7.560 1.00 0.00 H new ATOM 0 HG SER A 92 -0.700 -1.733 -9.536 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.449 -4.719 -7.780 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.123 -5.749 -8.561 1.00 0.00 C ATOM 1479 C GLU A 93 -5.611 -5.800 -8.228 1.00 0.00 C ATOM 1480 O GLU A 93 -6.430 -6.183 -9.064 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.483 -7.116 -8.300 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.341 -7.443 -9.247 1.00 0.00 C ATOM 1483 CD GLU A 93 -2.818 -7.736 -10.655 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -3.223 -8.888 -10.918 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -2.785 -6.814 -11.499 1.00 0.00 O ATOM 0 H GLU A 93 -2.864 -5.076 -7.025 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.014 -5.499 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.114 -7.145 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.248 -7.888 -8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.643 -6.607 -9.271 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.793 -8.305 -8.866 1.00 0.00 H new