USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 32 SER OG : rot -67:sc= 0.0347 USER MOD Set 1.2: A 36 GLN : amide:sc= 0.0363 K(o=0.071,f=-0.85) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 150:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 13:sc= 0.103 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0158) USER MOD Single : A 48 CYS SG : rot 160:sc= -0.0569 USER MOD Single : A 49 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-11!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.766 K(o=-0.77,f=-1.7!) USER MOD Single : A 56 ASN : amide:sc= -3.47! C(o=-3.5!,f=-17!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.022) USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= -0.629 (180deg=-1.99!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -50:sc= 0.154 USER MOD Single : A 75 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.4) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= -0.532 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0713 K(o=-0.071,f=-2.6!) USER MOD Single : A 90 MET CE :methyl 148:sc= -0.79 (180deg=-1.84!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 158:sc= -0.0317 (180deg=-0.144) USER MOD Single : A 95 GLN : amide:sc= -7.42! C(o=-7.4!,f=-12!) USER MOD Single : A 96 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 269 N ASP A 21 -4.671 4.278 -8.418 1.00 0.00 N ATOM 270 CA ASP A 21 -5.779 3.713 -7.657 1.00 0.00 C ATOM 271 C ASP A 21 -5.292 2.601 -6.733 1.00 0.00 C ATOM 272 O ASP A 21 -4.247 1.996 -6.969 1.00 0.00 O ATOM 273 CB ASP A 21 -6.852 3.172 -8.604 1.00 0.00 C ATOM 274 CG ASP A 21 -8.243 3.249 -8.007 1.00 0.00 C ATOM 275 OD1 ASP A 21 -8.908 4.291 -8.185 1.00 0.00 O ATOM 276 OD2 ASP A 21 -8.667 2.268 -7.360 1.00 0.00 O ATOM 0 HA ASP A 21 -6.210 4.506 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.828 3.737 -9.536 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.624 2.136 -8.853 1.00 0.00 H new ATOM 281 N TYR A 22 -6.057 2.339 -5.679 1.00 0.00 N ATOM 282 CA TYR A 22 -5.702 1.302 -4.716 1.00 0.00 C ATOM 283 C TYR A 22 -5.728 -0.077 -5.367 1.00 0.00 C ATOM 284 O TYR A 22 -4.786 -0.859 -5.229 1.00 0.00 O ATOM 285 CB TYR A 22 -6.660 1.334 -3.524 1.00 0.00 C ATOM 286 CG TYR A 22 -6.387 2.464 -2.557 1.00 0.00 C ATOM 287 CD1 TYR A 22 -6.423 3.788 -2.977 1.00 0.00 C ATOM 288 CD2 TYR A 22 -6.094 2.208 -1.224 1.00 0.00 C ATOM 289 CE1 TYR A 22 -6.173 4.823 -2.098 1.00 0.00 C ATOM 290 CE2 TYR A 22 -5.844 3.237 -0.336 1.00 0.00 C ATOM 291 CZ TYR A 22 -5.884 4.543 -0.778 1.00 0.00 C ATOM 292 OH TYR A 22 -5.636 5.571 0.102 1.00 0.00 O ATOM 0 H TYR A 22 -6.926 2.830 -5.469 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.689 1.499 -4.365 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.682 1.421 -3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.594 0.386 -2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.650 4.011 -4.009 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.061 1.186 -0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.203 5.846 -2.442 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.619 3.020 0.698 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.451 5.203 0.991 1.00 0.00 H new ATOM 302 N TYR A 23 -6.811 -0.369 -6.077 1.00 0.00 N ATOM 303 CA TYR A 23 -6.962 -1.654 -6.749 1.00 0.00 C ATOM 304 C TYR A 23 -5.811 -1.900 -7.720 1.00 0.00 C ATOM 305 O TYR A 23 -5.571 -3.031 -8.144 1.00 0.00 O ATOM 306 CB TYR A 23 -8.295 -1.710 -7.496 1.00 0.00 C ATOM 307 CG TYR A 23 -9.469 -2.077 -6.616 1.00 0.00 C ATOM 308 CD1 TYR A 23 -10.157 -1.105 -5.901 1.00 0.00 C ATOM 309 CD2 TYR A 23 -9.889 -3.396 -6.500 1.00 0.00 C ATOM 310 CE1 TYR A 23 -11.229 -1.436 -5.095 1.00 0.00 C ATOM 311 CE2 TYR A 23 -10.961 -3.736 -5.697 1.00 0.00 C ATOM 312 CZ TYR A 23 -11.627 -2.753 -4.996 1.00 0.00 C ATOM 313 OH TYR A 23 -12.695 -3.086 -4.195 1.00 0.00 O ATOM 0 H TYR A 23 -7.598 0.267 -6.202 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.946 -2.436 -5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.485 -0.740 -7.955 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.218 -2.436 -8.305 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.849 -0.073 -5.976 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.369 -4.169 -7.047 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.753 -0.668 -4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.276 -4.766 -5.619 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.147 -3.874 -4.563 1.00 0.00 H new ATOM 323 N THR A 24 -5.101 -0.831 -8.067 1.00 0.00 N ATOM 324 CA THR A 24 -3.975 -0.929 -8.988 1.00 0.00 C ATOM 325 C THR A 24 -2.685 -1.257 -8.246 1.00 0.00 C ATOM 326 O THR A 24 -1.870 -2.051 -8.718 1.00 0.00 O ATOM 327 CB THR A 24 -3.781 0.379 -9.779 1.00 0.00 C ATOM 328 OG1 THR A 24 -4.953 0.663 -10.551 1.00 0.00 O ATOM 329 CG2 THR A 24 -2.573 0.282 -10.698 1.00 0.00 C ATOM 0 H THR A 24 -5.285 0.112 -7.725 1.00 0.00 H new ATOM 0 HA THR A 24 -4.205 -1.735 -9.684 1.00 0.00 H new ATOM 0 HB THR A 24 -3.611 1.186 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.822 1.497 -11.049 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.457 1.217 -11.246 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.678 0.095 -10.104 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.717 -0.536 -11.404 1.00 0.00 H new ATOM 337 N LEU A 25 -2.504 -0.641 -7.083 1.00 0.00 N ATOM 338 CA LEU A 25 -1.311 -0.869 -6.274 1.00 0.00 C ATOM 339 C LEU A 25 -1.067 -2.361 -6.071 1.00 0.00 C ATOM 340 O LEU A 25 0.056 -2.843 -6.224 1.00 0.00 O ATOM 341 CB LEU A 25 -1.451 -0.174 -4.918 1.00 0.00 C ATOM 342 CG LEU A 25 -1.892 1.289 -4.956 1.00 0.00 C ATOM 343 CD1 LEU A 25 -1.802 1.910 -3.570 1.00 0.00 C ATOM 344 CD2 LEU A 25 -1.049 2.075 -5.950 1.00 0.00 C ATOM 0 H LEU A 25 -3.168 0.020 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.456 -0.449 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.169 -0.733 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.492 -0.230 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.931 1.327 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.120 2.952 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.449 1.364 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.773 1.860 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.377 3.114 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.001 2.029 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.164 1.645 -6.945 1.00 0.00 H new ATOM 356 N LEU A 26 -2.126 -3.087 -5.728 1.00 0.00 N ATOM 357 CA LEU A 26 -2.027 -4.525 -5.507 1.00 0.00 C ATOM 358 C LEU A 26 -2.393 -5.297 -6.771 1.00 0.00 C ATOM 359 O LEU A 26 -2.254 -6.518 -6.827 1.00 0.00 O ATOM 360 CB LEU A 26 -2.942 -4.947 -4.355 1.00 0.00 C ATOM 361 CG LEU A 26 -2.887 -4.076 -3.100 1.00 0.00 C ATOM 362 CD1 LEU A 26 -3.886 -4.567 -2.065 1.00 0.00 C ATOM 363 CD2 LEU A 26 -1.479 -4.062 -2.521 1.00 0.00 C ATOM 0 H LEU A 26 -3.062 -2.703 -5.597 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.994 -4.758 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.969 -4.959 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.691 -5.970 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.154 -3.056 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.832 -3.935 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.892 -4.523 -2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.651 -5.596 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.459 -3.437 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.183 -5.078 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.786 -3.661 -3.260 1.00 0.00 H new ATOM 375 N GLY A 27 -2.860 -4.575 -7.785 1.00 0.00 N ATOM 376 CA GLY A 27 -3.236 -5.208 -9.035 1.00 0.00 C ATOM 377 C GLY A 27 -4.387 -6.180 -8.870 1.00 0.00 C ATOM 378 O GLY A 27 -4.437 -7.214 -9.538 1.00 0.00 O ATOM 0 H GLY A 27 -2.985 -3.563 -7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.513 -4.441 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.375 -5.736 -9.445 1.00 0.00 H new ATOM 382 N CYS A 28 -5.313 -5.850 -7.977 1.00 0.00 N ATOM 383 CA CYS A 28 -6.469 -6.703 -7.723 1.00 0.00 C ATOM 384 C CYS A 28 -7.737 -6.090 -8.308 1.00 0.00 C ATOM 385 O CYS A 28 -7.718 -4.970 -8.820 1.00 0.00 O ATOM 386 CB CYS A 28 -6.643 -6.928 -6.220 1.00 0.00 C ATOM 387 SG CYS A 28 -7.405 -5.538 -5.350 1.00 0.00 S ATOM 0 H CYS A 28 -5.286 -4.998 -7.417 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.294 -7.663 -8.209 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.252 -7.818 -6.065 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.667 -7.129 -5.778 1.00 0.00 H new ATOM 0 HG CYS A 28 -7.907 -4.707 -6.215 1.00 0.00 H new ATOM 393 N ASP A 29 -8.837 -6.831 -8.231 1.00 0.00 N ATOM 394 CA ASP A 29 -10.114 -6.360 -8.754 1.00 0.00 C ATOM 395 C ASP A 29 -11.262 -6.781 -7.842 1.00 0.00 C ATOM 396 O ASP A 29 -11.133 -7.721 -7.059 1.00 0.00 O ATOM 397 CB ASP A 29 -10.343 -6.903 -10.166 1.00 0.00 C ATOM 398 CG ASP A 29 -9.115 -6.767 -11.044 1.00 0.00 C ATOM 399 OD1 ASP A 29 -8.471 -5.698 -11.002 1.00 0.00 O ATOM 400 OD2 ASP A 29 -8.798 -7.730 -11.774 1.00 0.00 O ATOM 0 H ASP A 29 -8.870 -7.760 -7.811 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.084 -5.271 -8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.629 -7.953 -10.106 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.176 -6.371 -10.626 1.00 0.00 H new ATOM 405 N GLU A 30 -12.384 -6.076 -7.949 1.00 0.00 N ATOM 406 CA GLU A 30 -13.554 -6.375 -7.131 1.00 0.00 C ATOM 407 C GLU A 30 -13.835 -7.875 -7.112 1.00 0.00 C ATOM 408 O GLU A 30 -14.305 -8.418 -6.111 1.00 0.00 O ATOM 409 CB GLU A 30 -14.778 -5.623 -7.658 1.00 0.00 C ATOM 410 CG GLU A 30 -15.090 -5.913 -9.117 1.00 0.00 C ATOM 411 CD GLU A 30 -16.463 -5.419 -9.530 1.00 0.00 C ATOM 412 OE1 GLU A 30 -17.348 -5.327 -8.653 1.00 0.00 O ATOM 413 OE2 GLU A 30 -16.652 -5.124 -10.728 1.00 0.00 O ATOM 0 H GLU A 30 -12.508 -5.295 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.346 -6.048 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.644 -5.886 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.616 -4.552 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.334 -5.443 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.027 -6.987 -9.291 1.00 0.00 H new ATOM 420 N LEU A 31 -13.544 -8.540 -8.225 1.00 0.00 N ATOM 421 CA LEU A 31 -13.765 -9.977 -8.338 1.00 0.00 C ATOM 422 C LEU A 31 -12.797 -10.749 -7.447 1.00 0.00 C ATOM 423 O LEU A 31 -13.155 -11.772 -6.865 1.00 0.00 O ATOM 424 CB LEU A 31 -13.606 -10.425 -9.792 1.00 0.00 C ATOM 425 CG LEU A 31 -14.773 -10.103 -10.725 1.00 0.00 C ATOM 426 CD1 LEU A 31 -14.355 -10.264 -12.179 1.00 0.00 C ATOM 427 CD2 LEU A 31 -15.968 -10.992 -10.411 1.00 0.00 C ATOM 0 H LEU A 31 -13.154 -8.106 -9.062 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.782 -10.190 -8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.705 -9.964 -10.197 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -13.445 -11.503 -9.803 1.00 0.00 H new ATOM 0 HG LEU A 31 -15.065 -9.065 -10.565 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -15.199 -10.031 -12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.530 -9.586 -12.398 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -14.036 -11.291 -12.354 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -16.789 -10.749 -11.085 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.688 -12.037 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.283 -10.827 -9.381 1.00 0.00 H new ATOM 439 N SER A 32 -11.570 -10.249 -7.344 1.00 0.00 N ATOM 440 CA SER A 32 -10.549 -10.892 -6.525 1.00 0.00 C ATOM 441 C SER A 32 -10.946 -10.879 -5.052 1.00 0.00 C ATOM 442 O SER A 32 -11.541 -9.917 -4.567 1.00 0.00 O ATOM 443 CB SER A 32 -9.201 -10.191 -6.708 1.00 0.00 C ATOM 444 OG SER A 32 -8.689 -10.402 -8.012 1.00 0.00 O ATOM 0 H SER A 32 -11.259 -9.401 -7.817 1.00 0.00 H new ATOM 0 HA SER A 32 -10.458 -11.929 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.316 -9.122 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.491 -10.564 -5.970 1.00 0.00 H new ATOM 0 HG SER A 32 -8.463 -11.349 -8.125 1.00 0.00 H new ATOM 450 N SER A 33 -10.612 -11.954 -4.346 1.00 0.00 N ATOM 451 CA SER A 33 -10.937 -12.069 -2.929 1.00 0.00 C ATOM 452 C SER A 33 -9.704 -11.815 -2.067 1.00 0.00 C ATOM 453 O SER A 33 -8.572 -11.888 -2.545 1.00 0.00 O ATOM 454 CB SER A 33 -11.508 -13.456 -2.626 1.00 0.00 C ATOM 455 OG SER A 33 -12.913 -13.479 -2.805 1.00 0.00 O ATOM 0 H SER A 33 -10.117 -12.758 -4.732 1.00 0.00 H new ATOM 0 HA SER A 33 -11.687 -11.315 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.043 -14.195 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.264 -13.737 -1.602 1.00 0.00 H new ATOM 0 HG SER A 33 -13.253 -14.376 -2.607 1.00 0.00 H new ATOM 461 N VAL A 34 -9.932 -11.516 -0.792 1.00 0.00 N ATOM 462 CA VAL A 34 -8.842 -11.252 0.138 1.00 0.00 C ATOM 463 C VAL A 34 -7.663 -12.183 -0.118 1.00 0.00 C ATOM 464 O VAL A 34 -6.527 -11.735 -0.269 1.00 0.00 O ATOM 465 CB VAL A 34 -9.300 -11.411 1.600 1.00 0.00 C ATOM 466 CG1 VAL A 34 -8.121 -11.263 2.549 1.00 0.00 C ATOM 467 CG2 VAL A 34 -10.390 -10.403 1.929 1.00 0.00 C ATOM 0 H VAL A 34 -10.863 -11.451 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.529 -10.221 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.713 -12.412 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.465 -11.378 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.377 -12.028 2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.675 -10.276 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.702 -10.530 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.006 -9.393 1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.244 -10.563 1.271 1.00 0.00 H new ATOM 477 N GLU A 35 -7.941 -13.482 -0.166 1.00 0.00 N ATOM 478 CA GLU A 35 -6.903 -14.478 -0.404 1.00 0.00 C ATOM 479 C GLU A 35 -5.972 -14.035 -1.529 1.00 0.00 C ATOM 480 O GLU A 35 -4.761 -13.929 -1.340 1.00 0.00 O ATOM 481 CB GLU A 35 -7.530 -15.830 -0.748 1.00 0.00 C ATOM 482 CG GLU A 35 -8.400 -16.397 0.361 1.00 0.00 C ATOM 483 CD GLU A 35 -8.913 -17.789 0.046 1.00 0.00 C ATOM 484 OE1 GLU A 35 -8.079 -18.697 -0.160 1.00 0.00 O ATOM 485 OE2 GLU A 35 -10.148 -17.971 0.005 1.00 0.00 O ATOM 0 H GLU A 35 -8.877 -13.869 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.318 -14.580 0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.131 -15.723 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.736 -16.542 -0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.827 -16.426 1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.247 -15.731 0.530 1.00 0.00 H new ATOM 492 N GLN A 36 -6.549 -13.779 -2.699 1.00 0.00 N ATOM 493 CA GLN A 36 -5.771 -13.349 -3.855 1.00 0.00 C ATOM 494 C GLN A 36 -5.125 -11.991 -3.602 1.00 0.00 C ATOM 495 O GLN A 36 -3.911 -11.836 -3.736 1.00 0.00 O ATOM 496 CB GLN A 36 -6.661 -13.281 -5.098 1.00 0.00 C ATOM 497 CG GLN A 36 -7.040 -14.645 -5.651 1.00 0.00 C ATOM 498 CD GLN A 36 -7.851 -14.552 -6.928 1.00 0.00 C ATOM 499 OE1 GLN A 36 -8.354 -13.485 -7.281 1.00 0.00 O ATOM 500 NE2 GLN A 36 -7.982 -15.672 -7.629 1.00 0.00 N ATOM 0 H GLN A 36 -7.551 -13.862 -2.871 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.981 -14.081 -4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.570 -12.732 -4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.145 -12.715 -5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.134 -15.220 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.612 -15.191 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.548 -16.534 -7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.517 -15.670 -8.498 1.00 0.00 H new ATOM 509 N ILE A 37 -5.944 -11.011 -3.237 1.00 0.00 N ATOM 510 CA ILE A 37 -5.452 -9.666 -2.965 1.00 0.00 C ATOM 511 C ILE A 37 -4.103 -9.708 -2.254 1.00 0.00 C ATOM 512 O ILE A 37 -3.195 -8.941 -2.577 1.00 0.00 O ATOM 513 CB ILE A 37 -6.447 -8.865 -2.105 1.00 0.00 C ATOM 514 CG1 ILE A 37 -7.799 -8.761 -2.815 1.00 0.00 C ATOM 515 CG2 ILE A 37 -5.893 -7.481 -1.804 1.00 0.00 C ATOM 516 CD1 ILE A 37 -8.837 -7.992 -2.028 1.00 0.00 C ATOM 0 H ILE A 37 -6.951 -11.123 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.338 -9.171 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.593 -9.389 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.656 -8.278 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.175 -9.765 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.608 -6.927 -1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.952 -7.576 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.721 -6.947 -2.738 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.769 -7.958 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.008 -8.486 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.482 -6.976 -1.853 1.00 0.00 H new ATOM 528 N LEU A 38 -3.978 -10.609 -1.287 1.00 0.00 N ATOM 529 CA LEU A 38 -2.739 -10.753 -0.531 1.00 0.00 C ATOM 530 C LEU A 38 -1.619 -11.289 -1.417 1.00 0.00 C ATOM 531 O LEU A 38 -0.540 -10.702 -1.494 1.00 0.00 O ATOM 532 CB LEU A 38 -2.951 -11.688 0.662 1.00 0.00 C ATOM 533 CG LEU A 38 -3.482 -11.036 1.939 1.00 0.00 C ATOM 534 CD1 LEU A 38 -4.026 -12.090 2.890 1.00 0.00 C ATOM 535 CD2 LEU A 38 -2.390 -10.219 2.614 1.00 0.00 C ATOM 0 H LEU A 38 -4.719 -11.251 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.449 -9.768 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.645 -12.474 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.002 -12.172 0.892 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.297 -10.364 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.399 -11.607 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.838 -12.632 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.231 -12.787 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.786 -9.762 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.554 -10.870 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.047 -9.439 1.935 1.00 0.00 H new ATOM 547 N ALA A 39 -1.885 -12.405 -2.087 1.00 0.00 N ATOM 548 CA ALA A 39 -0.901 -13.017 -2.972 1.00 0.00 C ATOM 549 C ALA A 39 -0.195 -11.965 -3.820 1.00 0.00 C ATOM 550 O ALA A 39 1.033 -11.939 -3.897 1.00 0.00 O ATOM 551 CB ALA A 39 -1.567 -14.055 -3.864 1.00 0.00 C ATOM 0 H ALA A 39 -2.773 -12.904 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.151 -13.511 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.821 -14.504 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.020 -14.830 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.338 -13.576 -4.467 1.00 0.00 H new ATOM 557 N GLU A 40 -0.979 -11.098 -4.454 1.00 0.00 N ATOM 558 CA GLU A 40 -0.427 -10.044 -5.297 1.00 0.00 C ATOM 559 C GLU A 40 0.347 -9.028 -4.461 1.00 0.00 C ATOM 560 O GLU A 40 1.495 -8.703 -4.765 1.00 0.00 O ATOM 561 CB GLU A 40 -1.544 -9.341 -6.070 1.00 0.00 C ATOM 562 CG GLU A 40 -2.142 -10.187 -7.180 1.00 0.00 C ATOM 563 CD GLU A 40 -3.317 -9.512 -7.861 1.00 0.00 C ATOM 564 OE1 GLU A 40 -4.157 -8.922 -7.149 1.00 0.00 O ATOM 565 OE2 GLU A 40 -3.396 -9.572 -9.106 1.00 0.00 O ATOM 0 H GLU A 40 -1.998 -11.105 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 40 0.261 -10.504 -6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.334 -9.059 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.153 -8.418 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.373 -10.403 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.466 -11.143 -6.769 1.00 0.00 H new ATOM 572 N PHE A 41 -0.291 -8.530 -3.407 1.00 0.00 N ATOM 573 CA PHE A 41 0.335 -7.549 -2.528 1.00 0.00 C ATOM 574 C PHE A 41 1.675 -8.063 -2.008 1.00 0.00 C ATOM 575 O PHE A 41 2.600 -7.286 -1.769 1.00 0.00 O ATOM 576 CB PHE A 41 -0.589 -7.222 -1.353 1.00 0.00 C ATOM 577 CG PHE A 41 0.143 -6.777 -0.120 1.00 0.00 C ATOM 578 CD1 PHE A 41 0.652 -5.492 -0.026 1.00 0.00 C ATOM 579 CD2 PHE A 41 0.323 -7.645 0.946 1.00 0.00 C ATOM 580 CE1 PHE A 41 1.326 -5.080 1.108 1.00 0.00 C ATOM 581 CE2 PHE A 41 0.995 -7.237 2.082 1.00 0.00 C ATOM 582 CZ PHE A 41 1.499 -5.954 2.163 1.00 0.00 C ATOM 0 H PHE A 41 -1.241 -8.789 -3.141 1.00 0.00 H new ATOM 0 HA PHE A 41 0.512 -6.641 -3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.284 -6.439 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.185 -8.103 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.521 -4.804 -0.848 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.066 -8.651 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.717 -4.075 1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.126 -7.922 2.907 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.027 -5.635 3.049 1.00 0.00 H new ATOM 592 N LYS A 42 1.771 -9.376 -1.833 1.00 0.00 N ATOM 593 CA LYS A 42 2.996 -9.996 -1.342 1.00 0.00 C ATOM 594 C LYS A 42 4.083 -9.976 -2.412 1.00 0.00 C ATOM 595 O LYS A 42 5.139 -9.372 -2.226 1.00 0.00 O ATOM 596 CB LYS A 42 2.723 -11.437 -0.904 1.00 0.00 C ATOM 597 CG LYS A 42 2.119 -11.547 0.485 1.00 0.00 C ATOM 598 CD LYS A 42 1.224 -12.768 0.609 1.00 0.00 C ATOM 599 CE LYS A 42 2.038 -14.039 0.797 1.00 0.00 C ATOM 600 NZ LYS A 42 2.557 -14.165 2.187 1.00 0.00 N ATOM 0 H LYS A 42 1.014 -10.033 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 42 3.345 -9.422 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.049 -11.904 -1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.657 -11.999 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.916 -11.603 1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.542 -10.648 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.547 -12.640 1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.606 -12.859 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.419 -14.905 0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.873 -14.043 0.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.004 -15.096 2.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.259 -13.418 2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.771 -14.068 2.861 1.00 0.00 H new ATOM 614 N VAL A 43 3.815 -10.638 -3.533 1.00 0.00 N ATOM 615 CA VAL A 43 4.770 -10.694 -4.634 1.00 0.00 C ATOM 616 C VAL A 43 5.181 -9.294 -5.076 1.00 0.00 C ATOM 617 O VAL A 43 6.360 -9.027 -5.308 1.00 0.00 O ATOM 618 CB VAL A 43 4.189 -11.452 -5.843 1.00 0.00 C ATOM 619 CG1 VAL A 43 4.043 -12.932 -5.525 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.852 -10.853 -6.255 1.00 0.00 C ATOM 0 H VAL A 43 2.945 -11.143 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 43 5.646 -11.228 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 43 4.880 -11.351 -6.680 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.631 -13.451 -6.390 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.020 -13.350 -5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.373 -13.057 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.456 -11.401 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.151 -10.922 -5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.990 -9.807 -6.527 1.00 0.00 H new ATOM 630 N ARG A 44 4.201 -8.403 -5.190 1.00 0.00 N ATOM 631 CA ARG A 44 4.461 -7.030 -5.605 1.00 0.00 C ATOM 632 C ARG A 44 5.333 -6.309 -4.581 1.00 0.00 C ATOM 633 O ARG A 44 6.131 -5.440 -4.933 1.00 0.00 O ATOM 634 CB ARG A 44 3.145 -6.274 -5.793 1.00 0.00 C ATOM 635 CG ARG A 44 2.527 -6.458 -7.169 1.00 0.00 C ATOM 636 CD ARG A 44 1.054 -6.079 -7.174 1.00 0.00 C ATOM 637 NE ARG A 44 0.578 -5.752 -8.515 1.00 0.00 N ATOM 638 CZ ARG A 44 0.430 -6.651 -9.482 1.00 0.00 C ATOM 639 NH1 ARG A 44 0.720 -7.925 -9.258 1.00 0.00 N ATOM 640 NH2 ARG A 44 -0.008 -6.276 -10.677 1.00 0.00 N ATOM 0 H ARG A 44 3.220 -8.608 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 44 4.994 -7.058 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.434 -6.607 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.319 -5.212 -5.621 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.063 -5.847 -7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.638 -7.496 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.466 -6.904 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.897 -5.225 -6.515 1.00 0.00 H new ATOM 0 HE ARG A 44 0.346 -4.780 -8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.058 -8.218 -8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.605 -8.613 -10.003 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.231 -5.297 -10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.121 -6.967 -11.419 1.00 0.00 H new ATOM 654 N ALA A 45 5.175 -6.675 -3.314 1.00 0.00 N ATOM 655 CA ALA A 45 5.948 -6.064 -2.240 1.00 0.00 C ATOM 656 C ALA A 45 7.399 -6.533 -2.273 1.00 0.00 C ATOM 657 O ALA A 45 8.325 -5.725 -2.198 1.00 0.00 O ATOM 658 CB ALA A 45 5.320 -6.381 -0.891 1.00 0.00 C ATOM 0 H ALA A 45 4.518 -7.392 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 45 5.939 -4.984 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.908 -5.918 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.302 -5.991 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.299 -7.461 -0.744 1.00 0.00 H new ATOM 664 N LEU A 46 7.590 -7.843 -2.384 1.00 0.00 N ATOM 665 CA LEU A 46 8.929 -8.420 -2.426 1.00 0.00 C ATOM 666 C LEU A 46 9.691 -7.938 -3.656 1.00 0.00 C ATOM 667 O LEU A 46 10.846 -7.525 -3.559 1.00 0.00 O ATOM 668 CB LEU A 46 8.848 -9.948 -2.429 1.00 0.00 C ATOM 669 CG LEU A 46 8.645 -10.612 -1.067 1.00 0.00 C ATOM 670 CD1 LEU A 46 9.957 -10.670 -0.301 1.00 0.00 C ATOM 671 CD2 LEU A 46 7.588 -9.868 -0.263 1.00 0.00 C ATOM 0 H LEU A 46 6.835 -8.526 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 46 9.467 -8.093 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.028 -10.247 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.765 -10.340 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 46 8.298 -11.632 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.793 -11.146 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.686 -11.247 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.334 -9.659 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.457 -10.355 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.906 -8.837 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.643 -9.879 -0.806 1.00 0.00 H new ATOM 683 N GLU A 47 9.035 -7.991 -4.811 1.00 0.00 N ATOM 684 CA GLU A 47 9.652 -7.558 -6.060 1.00 0.00 C ATOM 685 C GLU A 47 10.112 -6.106 -5.964 1.00 0.00 C ATOM 686 O GLU A 47 10.980 -5.668 -6.721 1.00 0.00 O ATOM 687 CB GLU A 47 8.669 -7.718 -7.222 1.00 0.00 C ATOM 688 CG GLU A 47 8.672 -9.108 -7.835 1.00 0.00 C ATOM 689 CD GLU A 47 8.315 -9.097 -9.309 1.00 0.00 C ATOM 690 OE1 GLU A 47 7.112 -8.991 -9.626 1.00 0.00 O ATOM 691 OE2 GLU A 47 9.239 -9.194 -10.144 1.00 0.00 O ATOM 0 H GLU A 47 8.078 -8.329 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 47 10.524 -8.186 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.663 -7.487 -6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.911 -6.989 -7.995 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.658 -9.555 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.964 -9.739 -7.298 1.00 0.00 H new ATOM 698 N CYS A 48 9.525 -5.366 -5.031 1.00 0.00 N ATOM 699 CA CYS A 48 9.873 -3.963 -4.837 1.00 0.00 C ATOM 700 C CYS A 48 10.213 -3.684 -3.376 1.00 0.00 C ATOM 701 O CYS A 48 9.956 -2.594 -2.865 1.00 0.00 O ATOM 702 CB CYS A 48 8.720 -3.063 -5.285 1.00 0.00 C ATOM 703 SG CYS A 48 8.766 -2.622 -7.037 1.00 0.00 S ATOM 0 H CYS A 48 8.806 -5.714 -4.397 1.00 0.00 H new ATOM 0 HA CYS A 48 10.752 -3.745 -5.444 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.777 -3.566 -5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.734 -2.149 -4.691 1.00 0.00 H new ATOM 0 HG CYS A 48 7.584 -2.241 -7.420 1.00 0.00 H new ATOM 709 N HIS A 49 10.793 -4.678 -2.709 1.00 0.00 N ATOM 710 CA HIS A 49 11.168 -4.540 -1.306 1.00 0.00 C ATOM 711 C HIS A 49 12.393 -3.643 -1.157 1.00 0.00 C ATOM 712 O HIS A 49 13.369 -3.756 -1.900 1.00 0.00 O ATOM 713 CB HIS A 49 11.448 -5.913 -0.695 1.00 0.00 C ATOM 714 CG HIS A 49 11.388 -5.926 0.802 1.00 0.00 C ATOM 715 ND1 HIS A 49 12.299 -5.264 1.598 1.00 0.00 N ATOM 716 CD2 HIS A 49 10.516 -6.523 1.648 1.00 0.00 C ATOM 717 CE1 HIS A 49 11.992 -5.456 2.868 1.00 0.00 C ATOM 718 NE2 HIS A 49 10.913 -6.217 2.926 1.00 0.00 N ATOM 0 H HIS A 49 11.013 -5.586 -3.117 1.00 0.00 H new ATOM 0 HA HIS A 49 10.335 -4.078 -0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 49 10.725 -6.630 -1.086 1.00 0.00 H new ATOM 0 HB3 HIS A 49 12.435 -6.249 -1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.666 -7.128 1.369 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.531 -5.059 3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.451 -6.526 3.781 1.00 0.00 H new ATOM 726 N PRO A 50 12.343 -2.731 -0.175 1.00 0.00 N ATOM 727 CA PRO A 50 13.440 -1.797 0.094 1.00 0.00 C ATOM 728 C PRO A 50 14.667 -2.495 0.672 1.00 0.00 C ATOM 729 O PRO A 50 15.782 -2.319 0.181 1.00 0.00 O ATOM 730 CB PRO A 50 12.841 -0.832 1.121 1.00 0.00 C ATOM 731 CG PRO A 50 11.767 -1.615 1.794 1.00 0.00 C ATOM 732 CD PRO A 50 11.212 -2.541 0.748 1.00 0.00 C ATOM 0 HA PRO A 50 13.792 -1.309 -0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 50 13.593 -0.497 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.439 0.059 0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.165 -2.176 2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.991 -0.957 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.884 -3.486 1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.350 -2.106 0.243 1.00 0.00 H new ATOM 740 N ASP A 51 14.454 -3.288 1.716 1.00 0.00 N ATOM 741 CA ASP A 51 15.542 -4.014 2.360 1.00 0.00 C ATOM 742 C ASP A 51 16.360 -4.791 1.332 1.00 0.00 C ATOM 743 O ASP A 51 17.589 -4.819 1.394 1.00 0.00 O ATOM 744 CB ASP A 51 14.990 -4.970 3.418 1.00 0.00 C ATOM 745 CG ASP A 51 16.085 -5.737 4.133 1.00 0.00 C ATOM 746 OD1 ASP A 51 17.246 -5.277 4.107 1.00 0.00 O ATOM 747 OD2 ASP A 51 15.781 -6.797 4.719 1.00 0.00 O ATOM 0 H ASP A 51 13.537 -3.444 2.135 1.00 0.00 H new ATOM 0 HA ASP A 51 16.195 -3.287 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.411 -4.404 4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.306 -5.675 2.945 1.00 0.00 H new ATOM 752 N LYS A 52 15.669 -5.421 0.388 1.00 0.00 N ATOM 753 CA LYS A 52 16.329 -6.198 -0.654 1.00 0.00 C ATOM 754 C LYS A 52 16.964 -5.283 -1.696 1.00 0.00 C ATOM 755 O LYS A 52 18.063 -5.549 -2.184 1.00 0.00 O ATOM 756 CB LYS A 52 15.329 -7.139 -1.329 1.00 0.00 C ATOM 757 CG LYS A 52 15.862 -7.788 -2.594 1.00 0.00 C ATOM 758 CD LYS A 52 16.543 -9.114 -2.297 1.00 0.00 C ATOM 759 CE LYS A 52 17.094 -9.753 -3.562 1.00 0.00 C ATOM 760 NZ LYS A 52 16.082 -10.613 -4.235 1.00 0.00 N ATOM 0 H LYS A 52 14.651 -5.408 0.323 1.00 0.00 H new ATOM 0 HA LYS A 52 17.116 -6.789 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.044 -7.919 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.424 -6.581 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.043 -7.948 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.569 -7.115 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.353 -8.957 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.832 -9.792 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.423 -8.973 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.971 -10.350 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.496 -11.030 -5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.787 -11.372 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.255 -10.038 -4.494 1.00 0.00 H new ATOM 774 N HIS A 53 16.267 -4.202 -2.032 1.00 0.00 N ATOM 775 CA HIS A 53 16.764 -3.246 -3.015 1.00 0.00 C ATOM 776 C HIS A 53 16.821 -1.840 -2.424 1.00 0.00 C ATOM 777 O HIS A 53 16.029 -0.963 -2.769 1.00 0.00 O ATOM 778 CB HIS A 53 15.876 -3.253 -4.259 1.00 0.00 C ATOM 779 CG HIS A 53 15.539 -4.629 -4.747 1.00 0.00 C ATOM 780 ND1 HIS A 53 16.441 -5.435 -5.409 1.00 0.00 N ATOM 781 CD2 HIS A 53 14.391 -5.341 -4.663 1.00 0.00 C ATOM 782 CE1 HIS A 53 15.861 -6.582 -5.713 1.00 0.00 C ATOM 783 NE2 HIS A 53 14.617 -6.551 -5.272 1.00 0.00 N ATOM 0 H HIS A 53 15.356 -3.966 -1.638 1.00 0.00 H new ATOM 0 HA HIS A 53 17.774 -3.544 -3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.952 -2.718 -4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 53 16.378 -2.706 -5.057 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.469 -5.018 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 53 16.326 -7.406 -6.234 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.935 -7.303 -5.368 1.00 0.00 H new ATOM 791 N PRO A 54 17.780 -1.620 -1.512 1.00 0.00 N ATOM 792 CA PRO A 54 17.963 -0.322 -0.855 1.00 0.00 C ATOM 793 C PRO A 54 18.490 0.743 -1.810 1.00 0.00 C ATOM 794 O PRO A 54 18.141 1.917 -1.698 1.00 0.00 O ATOM 795 CB PRO A 54 18.995 -0.620 0.236 1.00 0.00 C ATOM 796 CG PRO A 54 19.748 -1.803 -0.268 1.00 0.00 C ATOM 797 CD PRO A 54 18.759 -2.619 -1.054 1.00 0.00 C ATOM 0 HA PRO A 54 17.023 0.078 -0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.657 0.231 0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.512 -0.835 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 54 20.585 -1.495 -0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.163 -2.382 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 54 19.235 -3.129 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.291 -3.387 -0.437 1.00 0.00 H new ATOM 805 N GLU A 55 19.332 0.324 -2.750 1.00 0.00 N ATOM 806 CA GLU A 55 19.907 1.243 -3.725 1.00 0.00 C ATOM 807 C GLU A 55 18.854 2.221 -4.238 1.00 0.00 C ATOM 808 O GLU A 55 19.159 3.371 -4.550 1.00 0.00 O ATOM 809 CB GLU A 55 20.511 0.467 -4.897 1.00 0.00 C ATOM 810 CG GLU A 55 19.476 -0.063 -5.875 1.00 0.00 C ATOM 811 CD GLU A 55 20.103 -0.720 -7.089 1.00 0.00 C ATOM 812 OE1 GLU A 55 20.477 -1.908 -6.995 1.00 0.00 O ATOM 813 OE2 GLU A 55 20.218 -0.046 -8.134 1.00 0.00 O ATOM 0 H GLU A 55 19.631 -0.645 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 55 20.695 1.810 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.205 1.115 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.092 -0.369 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.836 -0.784 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.836 0.757 -6.200 1.00 0.00 H new ATOM 820 N ASN A 56 17.612 1.754 -4.322 1.00 0.00 N ATOM 821 CA ASN A 56 16.513 2.586 -4.798 1.00 0.00 C ATOM 822 C ASN A 56 15.630 3.036 -3.638 1.00 0.00 C ATOM 823 O ASN A 56 15.067 2.224 -2.903 1.00 0.00 O ATOM 824 CB ASN A 56 15.675 1.822 -5.825 1.00 0.00 C ATOM 825 CG ASN A 56 15.664 0.328 -5.566 1.00 0.00 C ATOM 826 OD1 ASN A 56 16.714 -0.288 -5.380 1.00 0.00 O ATOM 827 ND2 ASN A 56 14.475 -0.262 -5.554 1.00 0.00 N ATOM 0 H ASN A 56 17.342 0.804 -4.067 1.00 0.00 H new ATOM 0 HA ASN A 56 16.939 3.470 -5.272 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.652 2.198 -5.808 1.00 0.00 H new ATOM 0 HB3 ASN A 56 16.068 2.012 -6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.405 -1.266 -5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.631 0.288 -5.713 1.00 0.00 H new ATOM 834 N PRO A 57 15.504 4.360 -3.469 1.00 0.00 N ATOM 835 CA PRO A 57 14.690 4.949 -2.401 1.00 0.00 C ATOM 836 C PRO A 57 13.197 4.737 -2.627 1.00 0.00 C ATOM 837 O PRO A 57 12.460 4.398 -1.701 1.00 0.00 O ATOM 838 CB PRO A 57 15.036 6.438 -2.471 1.00 0.00 C ATOM 839 CG PRO A 57 15.473 6.660 -3.877 1.00 0.00 C ATOM 840 CD PRO A 57 16.147 5.386 -4.307 1.00 0.00 C ATOM 0 HA PRO A 57 14.898 4.495 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.174 7.057 -2.222 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.827 6.694 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.622 6.887 -4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.158 7.506 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.996 5.190 -5.369 1.00 0.00 H new ATOM 0 HD3 PRO A 57 17.223 5.425 -4.140 1.00 0.00 H new ATOM 848 N LYS A 58 12.756 4.939 -3.864 1.00 0.00 N ATOM 849 CA LYS A 58 11.351 4.769 -4.214 1.00 0.00 C ATOM 850 C LYS A 58 10.796 3.477 -3.622 1.00 0.00 C ATOM 851 O LYS A 58 9.665 3.441 -3.137 1.00 0.00 O ATOM 852 CB LYS A 58 11.179 4.760 -5.734 1.00 0.00 C ATOM 853 CG LYS A 58 10.951 6.140 -6.328 1.00 0.00 C ATOM 854 CD LYS A 58 12.261 6.880 -6.538 1.00 0.00 C ATOM 855 CE LYS A 58 12.940 6.457 -7.832 1.00 0.00 C ATOM 856 NZ LYS A 58 12.452 7.245 -8.997 1.00 0.00 N ATOM 0 H LYS A 58 13.352 5.221 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 58 10.795 5.609 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.066 4.320 -6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.336 4.119 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.429 6.046 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.307 6.720 -5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.074 7.954 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.927 6.688 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.018 6.583 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.757 5.397 -8.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.938 6.927 -9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.427 7.105 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.649 8.254 -8.841 1.00 0.00 H new ATOM 870 N ALA A 59 11.599 2.419 -3.663 1.00 0.00 N ATOM 871 CA ALA A 59 11.189 1.127 -3.128 1.00 0.00 C ATOM 872 C ALA A 59 10.329 1.298 -1.880 1.00 0.00 C ATOM 873 O ALA A 59 9.162 0.907 -1.859 1.00 0.00 O ATOM 874 CB ALA A 59 12.409 0.273 -2.818 1.00 0.00 C ATOM 0 H ALA A 59 12.538 2.432 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 59 10.589 0.622 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 59 12.088 -0.689 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.983 0.114 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.031 0.781 -2.082 1.00 0.00 H new ATOM 880 N VAL A 60 10.914 1.884 -0.840 1.00 0.00 N ATOM 881 CA VAL A 60 10.201 2.107 0.412 1.00 0.00 C ATOM 882 C VAL A 60 8.806 2.668 0.159 1.00 0.00 C ATOM 883 O VAL A 60 7.825 2.203 0.738 1.00 0.00 O ATOM 884 CB VAL A 60 10.971 3.073 1.332 1.00 0.00 C ATOM 885 CG1 VAL A 60 10.180 3.345 2.603 1.00 0.00 C ATOM 886 CG2 VAL A 60 12.347 2.512 1.661 1.00 0.00 C ATOM 0 H VAL A 60 11.880 2.213 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 60 10.116 1.138 0.904 1.00 0.00 H new ATOM 0 HB VAL A 60 11.105 4.018 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.740 4.029 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.220 3.792 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.013 2.408 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 60 12.877 3.207 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.237 1.553 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.913 2.374 0.740 1.00 0.00 H new ATOM 896 N GLU A 61 8.727 3.669 -0.712 1.00 0.00 N ATOM 897 CA GLU A 61 7.451 4.294 -1.042 1.00 0.00 C ATOM 898 C GLU A 61 6.505 3.288 -1.692 1.00 0.00 C ATOM 899 O GLU A 61 5.319 3.232 -1.365 1.00 0.00 O ATOM 900 CB GLU A 61 7.668 5.485 -1.977 1.00 0.00 C ATOM 901 CG GLU A 61 8.068 6.761 -1.255 1.00 0.00 C ATOM 902 CD GLU A 61 9.569 6.886 -1.081 1.00 0.00 C ATOM 903 OE1 GLU A 61 10.284 6.911 -2.105 1.00 0.00 O ATOM 904 OE2 GLU A 61 10.028 6.960 0.078 1.00 0.00 O ATOM 0 H GLU A 61 9.530 4.064 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 61 6.998 4.647 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.441 5.231 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.752 5.667 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.698 7.621 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.589 6.786 -0.276 1.00 0.00 H new ATOM 911 N THR A 62 7.038 2.495 -2.616 1.00 0.00 N ATOM 912 CA THR A 62 6.243 1.493 -3.314 1.00 0.00 C ATOM 913 C THR A 62 5.627 0.500 -2.335 1.00 0.00 C ATOM 914 O THR A 62 4.559 -0.058 -2.590 1.00 0.00 O ATOM 915 CB THR A 62 7.090 0.722 -4.344 1.00 0.00 C ATOM 916 OG1 THR A 62 7.694 1.637 -5.265 1.00 0.00 O ATOM 917 CG2 THR A 62 6.235 -0.281 -5.105 1.00 0.00 C ATOM 0 H THR A 62 8.018 2.528 -2.898 1.00 0.00 H new ATOM 0 HA THR A 62 5.448 2.027 -3.834 1.00 0.00 H new ATOM 0 HB THR A 62 7.869 0.179 -3.808 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.232 1.139 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.854 -0.814 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.800 -0.994 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.437 0.245 -5.630 1.00 0.00 H new ATOM 925 N PHE A 63 6.305 0.285 -1.212 1.00 0.00 N ATOM 926 CA PHE A 63 5.823 -0.642 -0.194 1.00 0.00 C ATOM 927 C PHE A 63 4.828 0.044 0.738 1.00 0.00 C ATOM 928 O PHE A 63 3.733 -0.466 0.975 1.00 0.00 O ATOM 929 CB PHE A 63 6.997 -1.198 0.615 1.00 0.00 C ATOM 930 CG PHE A 63 6.758 -2.585 1.141 1.00 0.00 C ATOM 931 CD1 PHE A 63 5.579 -2.897 1.798 1.00 0.00 C ATOM 932 CD2 PHE A 63 7.713 -3.575 0.978 1.00 0.00 C ATOM 933 CE1 PHE A 63 5.358 -4.172 2.284 1.00 0.00 C ATOM 934 CE2 PHE A 63 7.497 -4.852 1.461 1.00 0.00 C ATOM 935 CZ PHE A 63 6.317 -5.151 2.114 1.00 0.00 C ATOM 0 H PHE A 63 7.189 0.740 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 63 5.315 -1.465 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.889 -1.204 -0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.200 -0.530 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.824 -2.136 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 63 8.637 -3.347 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.436 -4.402 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 63 8.250 -5.615 1.328 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.145 -6.148 2.491 1.00 0.00 H new ATOM 945 N GLN A 64 5.218 1.201 1.262 1.00 0.00 N ATOM 946 CA GLN A 64 4.361 1.955 2.169 1.00 0.00 C ATOM 947 C GLN A 64 2.939 2.047 1.624 1.00 0.00 C ATOM 948 O GLN A 64 1.971 2.067 2.385 1.00 0.00 O ATOM 949 CB GLN A 64 4.927 3.359 2.390 1.00 0.00 C ATOM 950 CG GLN A 64 6.299 3.366 3.043 1.00 0.00 C ATOM 951 CD GLN A 64 6.225 3.332 4.557 1.00 0.00 C ATOM 952 OE1 GLN A 64 5.611 4.199 5.180 1.00 0.00 O ATOM 953 NE2 GLN A 64 6.851 2.326 5.158 1.00 0.00 N ATOM 0 H GLN A 64 6.121 1.637 1.074 1.00 0.00 H new ATOM 0 HA GLN A 64 4.332 1.428 3.123 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.988 3.872 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.235 3.927 3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.869 2.506 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.842 4.258 2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.348 1.630 4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.835 2.250 6.175 1.00 0.00 H new ATOM 962 N LYS A 65 2.820 2.103 0.302 1.00 0.00 N ATOM 963 CA LYS A 65 1.517 2.192 -0.347 1.00 0.00 C ATOM 964 C LYS A 65 0.898 0.808 -0.516 1.00 0.00 C ATOM 965 O LYS A 65 -0.322 0.651 -0.457 1.00 0.00 O ATOM 966 CB LYS A 65 1.649 2.874 -1.710 1.00 0.00 C ATOM 967 CG LYS A 65 1.930 1.908 -2.849 1.00 0.00 C ATOM 968 CD LYS A 65 2.461 2.631 -4.075 1.00 0.00 C ATOM 969 CE LYS A 65 3.072 1.660 -5.073 1.00 0.00 C ATOM 970 NZ LYS A 65 3.684 2.368 -6.232 1.00 0.00 N ATOM 0 H LYS A 65 3.611 2.088 -0.342 1.00 0.00 H new ATOM 0 HA LYS A 65 0.862 2.788 0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.730 3.419 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.452 3.610 -1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.654 1.161 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.016 1.374 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.651 3.183 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.210 3.362 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.830 1.056 -4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.303 0.975 -5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.090 1.672 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.955 2.924 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.435 3.003 -5.894 1.00 0.00 H new ATOM 984 N LEU A 66 1.746 -0.193 -0.725 1.00 0.00 N ATOM 985 CA LEU A 66 1.282 -1.564 -0.901 1.00 0.00 C ATOM 986 C LEU A 66 0.690 -2.110 0.395 1.00 0.00 C ATOM 987 O LEU A 66 -0.346 -2.774 0.383 1.00 0.00 O ATOM 988 CB LEU A 66 2.435 -2.458 -1.364 1.00 0.00 C ATOM 989 CG LEU A 66 2.644 -2.553 -2.875 1.00 0.00 C ATOM 990 CD1 LEU A 66 3.921 -3.317 -3.190 1.00 0.00 C ATOM 991 CD2 LEU A 66 1.446 -3.216 -3.539 1.00 0.00 C ATOM 0 H LEU A 66 2.758 -0.081 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 66 0.502 -1.562 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.357 -2.092 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.268 -3.463 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 66 2.741 -1.543 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.053 -3.375 -4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.773 -2.801 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.853 -4.324 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.613 -3.275 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.317 -4.221 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.549 -2.628 -3.342 1.00 0.00 H new ATOM 1003 N GLN A 67 1.354 -1.822 1.510 1.00 0.00 N ATOM 1004 CA GLN A 67 0.892 -2.283 2.814 1.00 0.00 C ATOM 1005 C GLN A 67 -0.363 -1.529 3.244 1.00 0.00 C ATOM 1006 O GLN A 67 -1.162 -2.033 4.033 1.00 0.00 O ATOM 1007 CB GLN A 67 1.993 -2.104 3.861 1.00 0.00 C ATOM 1008 CG GLN A 67 2.321 -0.649 4.156 1.00 0.00 C ATOM 1009 CD GLN A 67 2.995 -0.464 5.501 1.00 0.00 C ATOM 1010 OE1 GLN A 67 2.410 -0.749 6.547 1.00 0.00 O ATOM 1011 NE2 GLN A 67 4.234 0.014 5.482 1.00 0.00 N ATOM 0 H GLN A 67 2.213 -1.272 1.536 1.00 0.00 H new ATOM 0 HA GLN A 67 0.648 -3.342 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.687 -2.593 4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.896 -2.609 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.971 -0.261 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.404 -0.061 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.681 0.237 4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.738 0.158 6.357 1.00 0.00 H new ATOM 1020 N LYS A 68 -0.529 -0.319 2.721 1.00 0.00 N ATOM 1021 CA LYS A 68 -1.686 0.504 3.049 1.00 0.00 C ATOM 1022 C LYS A 68 -2.945 -0.034 2.377 1.00 0.00 C ATOM 1023 O LYS A 68 -3.908 -0.405 3.048 1.00 0.00 O ATOM 1024 CB LYS A 68 -1.445 1.953 2.619 1.00 0.00 C ATOM 1025 CG LYS A 68 -2.685 2.827 2.703 1.00 0.00 C ATOM 1026 CD LYS A 68 -3.080 3.097 4.146 1.00 0.00 C ATOM 1027 CE LYS A 68 -2.361 4.316 4.701 1.00 0.00 C ATOM 1028 NZ LYS A 68 -0.949 4.012 5.062 1.00 0.00 N ATOM 0 H LYS A 68 0.124 0.113 2.068 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.830 0.471 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.664 2.384 3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.073 1.962 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.500 3.772 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.510 2.340 2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.158 3.250 4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.846 2.226 4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.382 5.117 3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.890 4.680 5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.669 4.586 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.861 3.003 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.329 4.234 4.257 1.00 0.00 H new ATOM 1042 N ALA A 69 -2.930 -0.075 1.049 1.00 0.00 N ATOM 1043 CA ALA A 69 -4.069 -0.572 0.287 1.00 0.00 C ATOM 1044 C ALA A 69 -4.563 -1.903 0.842 1.00 0.00 C ATOM 1045 O ALA A 69 -5.763 -2.105 1.025 1.00 0.00 O ATOM 1046 CB ALA A 69 -3.700 -0.715 -1.182 1.00 0.00 C ATOM 0 H ALA A 69 -2.142 0.230 0.478 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.878 0.152 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.560 -1.087 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.403 0.256 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.872 -1.416 -1.282 1.00 0.00 H new ATOM 1052 N LYS A 70 -3.629 -2.810 1.109 1.00 0.00 N ATOM 1053 CA LYS A 70 -3.968 -4.124 1.644 1.00 0.00 C ATOM 1054 C LYS A 70 -4.951 -4.001 2.804 1.00 0.00 C ATOM 1055 O LYS A 70 -6.101 -4.427 2.701 1.00 0.00 O ATOM 1056 CB LYS A 70 -2.703 -4.850 2.107 1.00 0.00 C ATOM 1057 CG LYS A 70 -2.984 -6.114 2.902 1.00 0.00 C ATOM 1058 CD LYS A 70 -1.794 -6.509 3.760 1.00 0.00 C ATOM 1059 CE LYS A 70 -2.234 -7.233 5.023 1.00 0.00 C ATOM 1060 NZ LYS A 70 -1.196 -7.169 6.089 1.00 0.00 N ATOM 0 H LYS A 70 -2.631 -2.659 0.964 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.441 -4.702 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.101 -5.105 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.108 -4.171 2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.856 -5.959 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.227 -6.928 2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.127 -7.151 3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.226 -5.618 4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.160 -6.791 5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.449 -8.275 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.534 -7.674 6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.320 -7.613 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.009 -6.175 6.332 1.00 0.00 H new ATOM 1074 N GLU A 71 -4.490 -3.416 3.905 1.00 0.00 N ATOM 1075 CA GLU A 71 -5.330 -3.238 5.083 1.00 0.00 C ATOM 1076 C GLU A 71 -6.684 -2.645 4.701 1.00 0.00 C ATOM 1077 O GLU A 71 -7.728 -3.111 5.158 1.00 0.00 O ATOM 1078 CB GLU A 71 -4.634 -2.333 6.101 1.00 0.00 C ATOM 1079 CG GLU A 71 -5.141 -2.512 7.522 1.00 0.00 C ATOM 1080 CD GLU A 71 -4.269 -1.812 8.546 1.00 0.00 C ATOM 1081 OE1 GLU A 71 -3.054 -1.671 8.292 1.00 0.00 O ATOM 1082 OE2 GLU A 71 -4.800 -1.405 9.600 1.00 0.00 O ATOM 0 H GLU A 71 -3.540 -3.058 4.006 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.495 -4.218 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.563 -2.532 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.771 -1.293 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.158 -2.126 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.187 -3.576 7.756 1.00 0.00 H new ATOM 1089 N ILE A 72 -6.657 -1.615 3.862 1.00 0.00 N ATOM 1090 CA ILE A 72 -7.880 -0.959 3.419 1.00 0.00 C ATOM 1091 C ILE A 72 -8.850 -1.962 2.803 1.00 0.00 C ATOM 1092 O ILE A 72 -10.053 -1.918 3.060 1.00 0.00 O ATOM 1093 CB ILE A 72 -7.585 0.149 2.392 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -6.669 1.212 3.004 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -8.881 0.778 1.903 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -7.295 1.952 4.165 1.00 0.00 C ATOM 0 H ILE A 72 -5.801 -1.217 3.476 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.335 -0.512 4.303 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.075 -0.296 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.748 0.736 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.393 1.930 2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.655 1.559 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.501 0.015 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.417 1.211 2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.590 2.689 4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -8.201 2.457 3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.546 1.244 4.955 1.00 0.00 H new ATOM 1108 N LEU A 73 -8.317 -2.867 1.989 1.00 0.00 N ATOM 1109 CA LEU A 73 -9.135 -3.885 1.337 1.00 0.00 C ATOM 1110 C LEU A 73 -9.348 -5.084 2.255 1.00 0.00 C ATOM 1111 O LEU A 73 -10.465 -5.350 2.699 1.00 0.00 O ATOM 1112 CB LEU A 73 -8.476 -4.337 0.033 1.00 0.00 C ATOM 1113 CG LEU A 73 -8.276 -3.255 -1.029 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -7.398 -3.770 -2.158 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -9.619 -2.783 -1.569 1.00 0.00 C ATOM 0 H LEU A 73 -7.323 -2.917 1.765 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.107 -3.446 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.504 -4.768 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.081 -5.134 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.774 -2.406 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.267 -2.986 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.425 -4.058 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.871 -4.636 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.458 -2.013 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.147 -3.625 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.215 -2.373 -0.754 1.00 0.00 H new ATOM 1127 N THR A 74 -8.267 -5.805 2.539 1.00 0.00 N ATOM 1128 CA THR A 74 -8.335 -6.975 3.405 1.00 0.00 C ATOM 1129 C THR A 74 -9.376 -6.787 4.502 1.00 0.00 C ATOM 1130 O THR A 74 -10.037 -7.740 4.913 1.00 0.00 O ATOM 1131 CB THR A 74 -6.970 -7.273 4.054 1.00 0.00 C ATOM 1132 OG1 THR A 74 -6.477 -6.103 4.718 1.00 0.00 O ATOM 1133 CG2 THR A 74 -5.963 -7.731 3.010 1.00 0.00 C ATOM 0 H THR A 74 -7.334 -5.599 2.181 1.00 0.00 H new ATOM 0 HA THR A 74 -8.622 -7.818 2.776 1.00 0.00 H new ATOM 0 HB THR A 74 -7.106 -8.073 4.781 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.524 -5.337 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.007 -7.935 3.492 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.327 -8.638 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.833 -6.949 2.262 1.00 0.00 H new ATOM 1141 N ASN A 75 -9.518 -5.552 4.972 1.00 0.00 N ATOM 1142 CA ASN A 75 -10.480 -5.240 6.023 1.00 0.00 C ATOM 1143 C ASN A 75 -11.871 -5.016 5.437 1.00 0.00 C ATOM 1144 O ASN A 75 -12.045 -4.222 4.513 1.00 0.00 O ATOM 1145 CB ASN A 75 -10.035 -3.999 6.798 1.00 0.00 C ATOM 1146 CG ASN A 75 -8.887 -4.290 7.746 1.00 0.00 C ATOM 1147 OD1 ASN A 75 -7.789 -3.756 7.590 1.00 0.00 O ATOM 1148 ND2 ASN A 75 -9.138 -5.141 8.734 1.00 0.00 N ATOM 0 H ASN A 75 -8.979 -4.751 4.642 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.524 -6.089 6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.734 -3.223 6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.879 -3.605 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.405 -5.376 9.403 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.064 -5.559 8.824 1.00 0.00 H new ATOM 1155 N GLU A 76 -12.858 -5.720 5.982 1.00 0.00 N ATOM 1156 CA GLU A 76 -14.233 -5.598 5.513 1.00 0.00 C ATOM 1157 C GLU A 76 -14.791 -4.211 5.820 1.00 0.00 C ATOM 1158 O GLU A 76 -15.630 -3.692 5.084 1.00 0.00 O ATOM 1159 CB GLU A 76 -15.114 -6.668 6.161 1.00 0.00 C ATOM 1160 CG GLU A 76 -14.638 -8.088 5.899 1.00 0.00 C ATOM 1161 CD GLU A 76 -15.602 -9.132 6.426 1.00 0.00 C ATOM 1162 OE1 GLU A 76 -16.793 -9.083 6.052 1.00 0.00 O ATOM 1163 OE2 GLU A 76 -15.167 -9.999 7.213 1.00 0.00 O ATOM 0 H GLU A 76 -12.731 -6.381 6.749 1.00 0.00 H new ATOM 0 HA GLU A 76 -14.235 -5.742 4.432 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.147 -6.497 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.133 -6.561 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.504 -8.230 4.827 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -13.663 -8.232 6.364 1.00 0.00 H new ATOM 1170 N GLU A 77 -14.319 -3.618 6.912 1.00 0.00 N ATOM 1171 CA GLU A 77 -14.772 -2.292 7.317 1.00 0.00 C ATOM 1172 C GLU A 77 -14.265 -1.225 6.350 1.00 0.00 C ATOM 1173 O GLU A 77 -15.035 -0.397 5.865 1.00 0.00 O ATOM 1174 CB GLU A 77 -14.295 -1.977 8.736 1.00 0.00 C ATOM 1175 CG GLU A 77 -12.783 -1.965 8.882 1.00 0.00 C ATOM 1176 CD GLU A 77 -12.337 -1.859 10.327 1.00 0.00 C ATOM 1177 OE1 GLU A 77 -12.397 -2.880 11.043 1.00 0.00 O ATOM 1178 OE2 GLU A 77 -11.927 -0.755 10.742 1.00 0.00 O ATOM 0 H GLU A 77 -13.624 -4.034 7.532 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.862 -2.287 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.688 -1.005 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.712 -2.714 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.372 -2.875 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.374 -1.127 8.317 1.00 0.00 H new ATOM 1185 N SER A 78 -12.965 -1.253 6.076 1.00 0.00 N ATOM 1186 CA SER A 78 -12.354 -0.287 5.171 1.00 0.00 C ATOM 1187 C SER A 78 -12.815 -0.519 3.736 1.00 0.00 C ATOM 1188 O SER A 78 -13.242 0.411 3.051 1.00 0.00 O ATOM 1189 CB SER A 78 -10.828 -0.377 5.249 1.00 0.00 C ATOM 1190 OG SER A 78 -10.331 0.346 6.362 1.00 0.00 O ATOM 0 H SER A 78 -12.315 -1.934 6.468 1.00 0.00 H new ATOM 0 HA SER A 78 -12.669 0.710 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.526 -1.421 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.390 0.015 4.331 1.00 0.00 H new ATOM 0 HG SER A 78 -9.354 0.272 6.391 1.00 0.00 H new ATOM 1196 N ARG A 79 -12.726 -1.767 3.287 1.00 0.00 N ATOM 1197 CA ARG A 79 -13.133 -2.122 1.933 1.00 0.00 C ATOM 1198 C ARG A 79 -14.550 -1.635 1.645 1.00 0.00 C ATOM 1199 O ARG A 79 -14.893 -1.334 0.502 1.00 0.00 O ATOM 1200 CB ARG A 79 -13.053 -3.637 1.734 1.00 0.00 C ATOM 1201 CG ARG A 79 -13.042 -4.060 0.275 1.00 0.00 C ATOM 1202 CD ARG A 79 -12.337 -5.395 0.087 1.00 0.00 C ATOM 1203 NE ARG A 79 -11.929 -5.609 -1.299 1.00 0.00 N ATOM 1204 CZ ARG A 79 -12.768 -5.969 -2.264 1.00 0.00 C ATOM 1205 NH1 ARG A 79 -14.053 -6.154 -1.996 1.00 0.00 N ATOM 1206 NH2 ARG A 79 -12.321 -6.144 -3.501 1.00 0.00 N ATOM 0 H ARG A 79 -12.376 -2.549 3.841 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.451 -1.634 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -12.151 -4.011 2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -13.901 -4.106 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.066 -4.133 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.543 -3.297 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.460 -5.436 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.000 -6.202 0.398 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.947 -5.475 -1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.400 -6.020 -1.046 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.694 -6.430 -2.739 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.333 -6.002 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.965 -6.420 -4.242 1.00 0.00 H new ATOM 1220 N ALA A 80 -15.368 -1.560 2.690 1.00 0.00 N ATOM 1221 CA ALA A 80 -16.747 -1.108 2.550 1.00 0.00 C ATOM 1222 C ALA A 80 -16.807 0.387 2.257 1.00 0.00 C ATOM 1223 O ALA A 80 -17.317 0.805 1.217 1.00 0.00 O ATOM 1224 CB ALA A 80 -17.539 -1.434 3.807 1.00 0.00 C ATOM 0 H ALA A 80 -15.100 -1.806 3.643 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.193 -1.635 1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -18.567 -1.091 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.533 -2.511 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -17.086 -0.934 4.663 1.00 0.00 H new ATOM 1230 N ARG A 81 -16.284 1.188 3.180 1.00 0.00 N ATOM 1231 CA ARG A 81 -16.280 2.637 3.021 1.00 0.00 C ATOM 1232 C ARG A 81 -15.549 3.042 1.744 1.00 0.00 C ATOM 1233 O ARG A 81 -15.886 4.045 1.115 1.00 0.00 O ATOM 1234 CB ARG A 81 -15.623 3.303 4.231 1.00 0.00 C ATOM 1235 CG ARG A 81 -14.235 2.767 4.541 1.00 0.00 C ATOM 1236 CD ARG A 81 -13.630 3.457 5.754 1.00 0.00 C ATOM 1237 NE ARG A 81 -12.171 3.401 5.745 1.00 0.00 N ATOM 1238 CZ ARG A 81 -11.403 4.090 6.582 1.00 0.00 C ATOM 1239 NH1 ARG A 81 -11.954 4.884 7.490 1.00 0.00 N ATOM 1240 NH2 ARG A 81 -10.082 3.986 6.511 1.00 0.00 N ATOM 0 H ARG A 81 -15.858 0.858 4.046 1.00 0.00 H new ATOM 0 HA ARG A 81 -17.315 2.972 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.558 4.376 4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.261 3.163 5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.290 1.693 4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.586 2.912 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.953 4.498 5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.005 2.987 6.663 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.716 2.800 5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.969 4.967 7.547 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.363 5.412 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.655 3.377 5.813 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.493 4.516 7.154 1.00 0.00 H new ATOM 1254 N TYR A 82 -14.546 2.256 1.369 1.00 0.00 N ATOM 1255 CA TYR A 82 -13.765 2.534 0.170 1.00 0.00 C ATOM 1256 C TYR A 82 -14.670 2.671 -1.051 1.00 0.00 C ATOM 1257 O TYR A 82 -14.496 3.575 -1.869 1.00 0.00 O ATOM 1258 CB TYR A 82 -12.738 1.425 -0.065 1.00 0.00 C ATOM 1259 CG TYR A 82 -11.932 1.603 -1.331 1.00 0.00 C ATOM 1260 CD1 TYR A 82 -12.521 1.449 -2.580 1.00 0.00 C ATOM 1261 CD2 TYR A 82 -10.582 1.927 -1.279 1.00 0.00 C ATOM 1262 CE1 TYR A 82 -11.788 1.610 -3.740 1.00 0.00 C ATOM 1263 CE2 TYR A 82 -9.841 2.091 -2.433 1.00 0.00 C ATOM 1264 CZ TYR A 82 -10.448 1.932 -3.661 1.00 0.00 C ATOM 1265 OH TYR A 82 -9.715 2.095 -4.814 1.00 0.00 O ATOM 0 H TYR A 82 -14.255 1.421 1.878 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.242 3.478 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.058 1.385 0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.254 0.466 -0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.570 1.199 -2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.103 2.053 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.261 1.485 -4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.792 2.342 -2.374 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.223 2.942 -4.772 1.00 0.00 H new ATOM 1275 N ASP A 83 -15.637 1.768 -1.166 1.00 0.00 N ATOM 1276 CA ASP A 83 -16.572 1.787 -2.285 1.00 0.00 C ATOM 1277 C ASP A 83 -17.473 3.016 -2.219 1.00 0.00 C ATOM 1278 O ASP A 83 -17.792 3.621 -3.243 1.00 0.00 O ATOM 1279 CB ASP A 83 -17.423 0.516 -2.288 1.00 0.00 C ATOM 1280 CG ASP A 83 -18.439 0.502 -3.413 1.00 0.00 C ATOM 1281 OD1 ASP A 83 -19.416 1.277 -3.339 1.00 0.00 O ATOM 1282 OD2 ASP A 83 -18.258 -0.283 -4.367 1.00 0.00 O ATOM 0 H ASP A 83 -15.794 1.013 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.994 1.831 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.772 -0.353 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -17.941 0.427 -1.333 1.00 0.00 H new ATOM 1287 N HIS A 84 -17.881 3.381 -1.008 1.00 0.00 N ATOM 1288 CA HIS A 84 -18.746 4.538 -0.808 1.00 0.00 C ATOM 1289 C HIS A 84 -18.133 5.788 -1.431 1.00 0.00 C ATOM 1290 O HIS A 84 -18.818 6.556 -2.107 1.00 0.00 O ATOM 1291 CB HIS A 84 -18.994 4.765 0.684 1.00 0.00 C ATOM 1292 CG HIS A 84 -19.860 5.952 0.973 1.00 0.00 C ATOM 1293 ND1 HIS A 84 -21.237 5.909 0.923 1.00 0.00 N ATOM 1294 CD2 HIS A 84 -19.537 7.221 1.319 1.00 0.00 C ATOM 1295 CE1 HIS A 84 -21.724 7.100 1.224 1.00 0.00 C ATOM 1296 NE2 HIS A 84 -20.713 7.914 1.469 1.00 0.00 N ATOM 0 H HIS A 84 -17.626 2.892 -0.150 1.00 0.00 H new ATOM 0 HA HIS A 84 -19.698 4.338 -1.300 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -19.460 3.874 1.106 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -18.036 4.893 1.188 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -18.540 7.615 1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -22.771 7.363 1.263 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -20.793 8.897 1.728 1.00 0.00 H new ATOM 1304 N TRP A 85 -16.841 5.986 -1.197 1.00 0.00 N ATOM 1305 CA TRP A 85 -16.136 7.144 -1.735 1.00 0.00 C ATOM 1306 C TRP A 85 -16.141 7.126 -3.259 1.00 0.00 C ATOM 1307 O TRP A 85 -16.210 8.174 -3.902 1.00 0.00 O ATOM 1308 CB TRP A 85 -14.697 7.176 -1.218 1.00 0.00 C ATOM 1309 CG TRP A 85 -13.822 8.146 -1.954 1.00 0.00 C ATOM 1310 CD1 TRP A 85 -13.540 9.433 -1.592 1.00 0.00 C ATOM 1311 CD2 TRP A 85 -13.118 7.908 -3.177 1.00 0.00 C ATOM 1312 NE1 TRP A 85 -12.704 10.008 -2.518 1.00 0.00 N ATOM 1313 CE2 TRP A 85 -12.429 9.093 -3.499 1.00 0.00 C ATOM 1314 CE3 TRP A 85 -13.002 6.808 -4.031 1.00 0.00 C ATOM 1315 CZ2 TRP A 85 -11.637 9.207 -4.639 1.00 0.00 C ATOM 1316 CZ3 TRP A 85 -12.215 6.923 -5.162 1.00 0.00 C ATOM 1317 CH2 TRP A 85 -11.541 8.115 -5.457 1.00 0.00 C ATOM 0 H TRP A 85 -16.260 5.360 -0.639 1.00 0.00 H new ATOM 0 HA TRP A 85 -16.656 8.042 -1.400 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.705 7.436 -0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -14.268 6.177 -1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -13.918 9.925 -0.708 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -12.346 10.962 -2.481 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -13.518 5.885 -3.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -11.117 10.125 -4.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -12.118 6.079 -5.829 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -10.933 8.173 -6.348 1.00 0.00 H new ATOM 1328 N ARG A 86 -16.069 5.929 -3.832 1.00 0.00 N ATOM 1329 CA ARG A 86 -16.064 5.775 -5.282 1.00 0.00 C ATOM 1330 C ARG A 86 -17.390 6.234 -5.882 1.00 0.00 C ATOM 1331 O ARG A 86 -17.433 6.741 -7.003 1.00 0.00 O ATOM 1332 CB ARG A 86 -15.799 4.317 -5.661 1.00 0.00 C ATOM 1333 CG ARG A 86 -14.328 3.935 -5.622 1.00 0.00 C ATOM 1334 CD ARG A 86 -14.035 2.752 -6.531 1.00 0.00 C ATOM 1335 NE ARG A 86 -14.101 3.118 -7.944 1.00 0.00 N ATOM 1336 CZ ARG A 86 -13.230 3.929 -8.534 1.00 0.00 C ATOM 1337 NH1 ARG A 86 -12.232 4.455 -7.837 1.00 0.00 N ATOM 1338 NH2 ARG A 86 -13.356 4.214 -9.823 1.00 0.00 N ATOM 0 H ARG A 86 -16.013 5.052 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 86 -15.266 6.399 -5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -16.352 3.668 -4.982 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -16.187 4.135 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.721 4.788 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -14.042 3.689 -4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.044 2.357 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.750 1.954 -6.329 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.857 2.730 -8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.132 4.237 -6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.564 5.077 -8.292 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.122 3.810 -10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.687 4.837 -10.275 1.00 0.00 H new ATOM 1352 N ARG A 87 -18.469 6.052 -5.127 1.00 0.00 N ATOM 1353 CA ARG A 87 -19.796 6.446 -5.585 1.00 0.00 C ATOM 1354 C ARG A 87 -19.954 7.964 -5.553 1.00 0.00 C ATOM 1355 O ARG A 87 -20.468 8.564 -6.496 1.00 0.00 O ATOM 1356 CB ARG A 87 -20.873 5.793 -4.717 1.00 0.00 C ATOM 1357 CG ARG A 87 -21.224 4.377 -5.145 1.00 0.00 C ATOM 1358 CD ARG A 87 -22.356 3.806 -4.306 1.00 0.00 C ATOM 1359 NE ARG A 87 -23.623 4.485 -4.561 1.00 0.00 N ATOM 1360 CZ ARG A 87 -24.704 4.332 -3.805 1.00 0.00 C ATOM 1361 NH1 ARG A 87 -24.672 3.529 -2.750 1.00 0.00 N ATOM 1362 NH2 ARG A 87 -25.821 4.985 -4.102 1.00 0.00 N ATOM 0 H ARG A 87 -18.450 5.635 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 87 -19.913 6.107 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -20.533 5.777 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -21.773 6.406 -4.747 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -21.512 4.374 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -20.345 3.740 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -22.465 2.743 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -22.104 3.894 -3.249 1.00 0.00 H new ATOM 0 HE ARG A 87 -23.681 5.111 -5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -23.815 3.027 -2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -25.504 3.414 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -25.849 5.605 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -26.651 4.867 -3.521 1.00 0.00 H new ATOM 1376 N SER A 88 -19.509 8.577 -4.461 1.00 0.00 N ATOM 1377 CA SER A 88 -19.605 10.024 -4.304 1.00 0.00 C ATOM 1378 C SER A 88 -18.612 10.736 -5.217 1.00 0.00 C ATOM 1379 O SER A 88 -18.645 11.959 -5.354 1.00 0.00 O ATOM 1380 CB SER A 88 -19.349 10.418 -2.848 1.00 0.00 C ATOM 1381 OG SER A 88 -20.556 10.436 -2.105 1.00 0.00 O ATOM 0 H SER A 88 -19.079 8.095 -3.672 1.00 0.00 H new ATOM 0 HA SER A 88 -20.613 10.329 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 88 -18.650 9.715 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 88 -18.881 11.402 -2.811 1.00 0.00 H new ATOM 0 HG SER A 88 -20.365 10.689 -1.178 1.00 0.00 H new ATOM 1387 N GLN A 89 -17.729 9.961 -5.840 1.00 0.00 N ATOM 1388 CA GLN A 89 -16.726 10.518 -6.740 1.00 0.00 C ATOM 1389 C GLN A 89 -16.253 11.883 -6.250 1.00 0.00 C ATOM 1390 O GLN A 89 -16.283 12.864 -6.993 1.00 0.00 O ATOM 1391 CB GLN A 89 -17.291 10.638 -8.156 1.00 0.00 C ATOM 1392 CG GLN A 89 -17.677 9.303 -8.772 1.00 0.00 C ATOM 1393 CD GLN A 89 -16.486 8.556 -9.340 1.00 0.00 C ATOM 1394 OE1 GLN A 89 -15.346 8.782 -8.934 1.00 0.00 O ATOM 1395 NE2 GLN A 89 -16.745 7.660 -10.284 1.00 0.00 N ATOM 0 H GLN A 89 -17.688 8.947 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 89 -15.871 9.842 -6.754 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -18.167 11.286 -8.135 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -16.552 11.123 -8.793 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -18.162 8.685 -8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -18.407 9.470 -9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -17.705 7.505 -10.590 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.984 7.126 -10.703 1.00 0.00 H new ATOM 1404 N MET A 90 -15.817 11.938 -4.996 1.00 0.00 N ATOM 1405 CA MET A 90 -15.338 13.184 -4.408 1.00 0.00 C ATOM 1406 C MET A 90 -14.238 13.802 -5.266 1.00 0.00 C ATOM 1407 O MET A 90 -13.561 13.104 -6.020 1.00 0.00 O ATOM 1408 CB MET A 90 -14.817 12.937 -2.991 1.00 0.00 C ATOM 1409 CG MET A 90 -15.898 12.506 -2.013 1.00 0.00 C ATOM 1410 SD MET A 90 -16.161 10.722 -2.010 1.00 0.00 S ATOM 1411 CE MET A 90 -16.897 10.492 -0.393 1.00 0.00 C ATOM 0 H MET A 90 -15.785 11.135 -4.368 1.00 0.00 H new ATOM 0 HA MET A 90 -16.175 13.881 -4.363 1.00 0.00 H new ATOM 0 HB2 MET A 90 -14.043 12.170 -3.026 1.00 0.00 H new ATOM 0 HB3 MET A 90 -14.347 13.848 -2.622 1.00 0.00 H new ATOM 0 HG2 MET A 90 -15.625 12.831 -1.009 1.00 0.00 H new ATOM 0 HG3 MET A 90 -16.832 13.007 -2.267 1.00 0.00 H new ATOM 0 HE1 MET A 90 -17.602 9.662 -0.429 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.116 10.273 0.335 1.00 0.00 H new ATOM 0 HE3 MET A 90 -17.422 11.401 -0.099 1.00 0.00 H new ATOM 1421 N SER A 91 -14.067 15.114 -5.146 1.00 0.00 N ATOM 1422 CA SER A 91 -13.052 15.826 -5.913 1.00 0.00 C ATOM 1423 C SER A 91 -11.650 15.390 -5.497 1.00 0.00 C ATOM 1424 O SER A 91 -10.734 15.343 -6.317 1.00 0.00 O ATOM 1425 CB SER A 91 -13.205 17.337 -5.724 1.00 0.00 C ATOM 1426 OG SER A 91 -14.193 17.862 -6.594 1.00 0.00 O ATOM 0 H SER A 91 -14.618 15.706 -4.525 1.00 0.00 H new ATOM 0 HA SER A 91 -13.192 15.583 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.475 17.552 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.251 17.829 -5.913 1.00 0.00 H new ATOM 0 HG SER A 91 -14.273 18.828 -6.453 1.00 0.00 H new ATOM 1432 N MET A 92 -11.492 15.072 -4.216 1.00 0.00 N ATOM 1433 CA MET A 92 -10.203 14.638 -3.690 1.00 0.00 C ATOM 1434 C MET A 92 -10.134 13.117 -3.608 1.00 0.00 C ATOM 1435 O MET A 92 -11.150 12.429 -3.510 1.00 0.00 O ATOM 1436 CB MET A 92 -9.962 15.247 -2.308 1.00 0.00 C ATOM 1437 CG MET A 92 -10.484 14.389 -1.167 1.00 0.00 C ATOM 1438 SD MET A 92 -12.285 14.301 -1.132 1.00 0.00 S ATOM 1439 CE MET A 92 -12.624 14.954 0.501 1.00 0.00 C ATOM 0 H MET A 92 -12.240 15.107 -3.524 1.00 0.00 H new ATOM 0 HA MET A 92 -9.425 14.983 -4.371 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.892 15.407 -2.172 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.439 16.226 -2.263 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.077 13.382 -1.259 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.125 14.793 -0.220 1.00 0.00 H new ATOM 0 HE1 MET A 92 -13.647 15.328 0.538 1.00 0.00 H new ATOM 0 HE2 MET A 92 -12.499 14.164 1.242 1.00 0.00 H new ATOM 0 HE3 MET A 92 -11.932 15.768 0.718 1.00 0.00 H new ATOM 1449 N PRO A 93 -8.907 12.576 -3.649 1.00 0.00 N ATOM 1450 CA PRO A 93 -8.676 11.130 -3.581 1.00 0.00 C ATOM 1451 C PRO A 93 -8.988 10.558 -2.202 1.00 0.00 C ATOM 1452 O PRO A 93 -9.047 11.290 -1.214 1.00 0.00 O ATOM 1453 CB PRO A 93 -7.183 10.994 -3.890 1.00 0.00 C ATOM 1454 CG PRO A 93 -6.592 12.302 -3.490 1.00 0.00 C ATOM 1455 CD PRO A 93 -7.650 13.335 -3.765 1.00 0.00 C ATOM 0 HA PRO A 93 -9.319 10.582 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.737 10.171 -3.332 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.015 10.790 -4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.314 12.299 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.685 12.511 -4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.608 14.154 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.535 13.773 -4.756 1.00 0.00 H new ATOM 1463 N PHE A 94 -9.188 9.246 -2.143 1.00 0.00 N ATOM 1464 CA PHE A 94 -9.495 8.575 -0.885 1.00 0.00 C ATOM 1465 C PHE A 94 -8.511 8.988 0.206 1.00 0.00 C ATOM 1466 O PHE A 94 -8.899 9.574 1.216 1.00 0.00 O ATOM 1467 CB PHE A 94 -9.462 7.057 -1.070 1.00 0.00 C ATOM 1468 CG PHE A 94 -9.879 6.294 0.155 1.00 0.00 C ATOM 1469 CD1 PHE A 94 -8.952 5.963 1.130 1.00 0.00 C ATOM 1470 CD2 PHE A 94 -11.198 5.908 0.331 1.00 0.00 C ATOM 1471 CE1 PHE A 94 -9.333 5.261 2.259 1.00 0.00 C ATOM 1472 CE2 PHE A 94 -11.585 5.207 1.457 1.00 0.00 C ATOM 1473 CZ PHE A 94 -10.651 4.882 2.422 1.00 0.00 C ATOM 0 H PHE A 94 -9.143 8.626 -2.952 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.497 8.874 -0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.117 6.786 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.453 6.755 -1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.920 6.257 1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -11.932 6.158 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.601 5.010 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.617 4.913 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.951 4.333 3.302 1.00 0.00 H new ATOM 1483 N GLN A 95 -7.237 8.676 -0.007 1.00 0.00 N ATOM 1484 CA GLN A 95 -6.197 9.013 0.959 1.00 0.00 C ATOM 1485 C GLN A 95 -6.470 10.369 1.602 1.00 0.00 C ATOM 1486 O GLN A 95 -6.298 10.539 2.808 1.00 0.00 O ATOM 1487 CB GLN A 95 -4.826 9.024 0.280 1.00 0.00 C ATOM 1488 CG GLN A 95 -4.836 9.657 -1.102 1.00 0.00 C ATOM 1489 CD GLN A 95 -4.538 11.143 -1.065 1.00 0.00 C ATOM 1490 OE1 GLN A 95 -4.626 11.779 -0.015 1.00 0.00 O ATOM 1491 NE2 GLN A 95 -4.184 11.704 -2.215 1.00 0.00 N ATOM 0 H GLN A 95 -6.900 8.191 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.202 8.253 1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.121 9.564 0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.462 8.000 0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.099 9.158 -1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.810 9.497 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.124 11.138 -3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.972 12.701 -2.252 1.00 0.00 H new ATOM 1500 N GLN A 96 -6.896 11.329 0.787 1.00 0.00 N ATOM 1501 CA GLN A 96 -7.191 12.670 1.278 1.00 0.00 C ATOM 1502 C GLN A 96 -8.409 12.658 2.196 1.00 0.00 C ATOM 1503 O GLN A 96 -8.403 13.279 3.259 1.00 0.00 O ATOM 1504 CB GLN A 96 -7.431 13.623 0.106 1.00 0.00 C ATOM 1505 CG GLN A 96 -7.754 15.046 0.534 1.00 0.00 C ATOM 1506 CD GLN A 96 -6.645 15.675 1.354 1.00 0.00 C ATOM 1507 OE1 GLN A 96 -5.474 15.621 0.979 1.00 0.00 O ATOM 1508 NE2 GLN A 96 -7.009 16.276 2.480 1.00 0.00 N ATOM 0 H GLN A 96 -7.044 11.203 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 96 -6.331 13.018 1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.545 13.636 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.252 13.240 -0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.936 15.655 -0.351 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.676 15.046 1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.992 16.297 2.752 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.306 16.717 3.073 1.00 0.00 H new ATOM 1517 N TRP A 97 -9.451 11.948 1.778 1.00 0.00 N ATOM 1518 CA TRP A 97 -10.677 11.856 2.564 1.00 0.00 C ATOM 1519 C TRP A 97 -10.369 11.495 4.012 1.00 0.00 C ATOM 1520 O TRP A 97 -10.635 12.275 4.926 1.00 0.00 O ATOM 1521 CB TRP A 97 -11.620 10.817 1.955 1.00 0.00 C ATOM 1522 CG TRP A 97 -12.940 10.729 2.659 1.00 0.00 C ATOM 1523 CD1 TRP A 97 -13.742 11.770 3.032 1.00 0.00 C ATOM 1524 CD2 TRP A 97 -13.610 9.534 3.076 1.00 0.00 C ATOM 1525 NE1 TRP A 97 -14.870 11.294 3.655 1.00 0.00 N ATOM 1526 CE2 TRP A 97 -14.814 9.926 3.694 1.00 0.00 C ATOM 1527 CE3 TRP A 97 -13.312 8.172 2.985 1.00 0.00 C ATOM 1528 CZ2 TRP A 97 -15.715 9.004 4.219 1.00 0.00 C ATOM 1529 CZ3 TRP A 97 -14.208 7.258 3.507 1.00 0.00 C ATOM 1530 CH2 TRP A 97 -15.398 7.677 4.117 1.00 0.00 C ATOM 0 H TRP A 97 -9.472 11.428 0.901 1.00 0.00 H new ATOM 0 HA TRP A 97 -11.164 12.831 2.549 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -11.791 11.062 0.907 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -11.137 9.840 1.979 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -13.522 12.814 2.862 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -15.627 11.867 4.028 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -12.398 7.839 2.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -16.632 9.325 4.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -13.987 6.203 3.444 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -16.078 6.938 4.514 1.00 0.00 H new ATOM 1541 N GLU A 98 -9.808 10.307 4.215 1.00 0.00 N ATOM 1542 CA GLU A 98 -9.465 9.843 5.554 1.00 0.00 C ATOM 1543 C GLU A 98 -9.009 11.005 6.432 1.00 0.00 C ATOM 1544 O GLU A 98 -9.570 11.246 7.501 1.00 0.00 O ATOM 1545 CB GLU A 98 -8.367 8.780 5.485 1.00 0.00 C ATOM 1546 CG GLU A 98 -8.898 7.358 5.424 1.00 0.00 C ATOM 1547 CD GLU A 98 -9.961 7.177 4.358 1.00 0.00 C ATOM 1548 OE1 GLU A 98 -9.723 7.597 3.206 1.00 0.00 O ATOM 1549 OE2 GLU A 98 -11.030 6.616 4.675 1.00 0.00 O ATOM 0 H GLU A 98 -9.582 9.649 3.469 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.358 9.403 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.748 8.966 4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.721 8.880 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.072 6.674 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.313 7.087 6.395 1.00 0.00 H new