USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 590 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 67 ASN : amide:sc= -0.623 K(o=-0.62,f=-2.9!) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 19 MET CE :methyl 138:sc= -0.989 (180deg=-3.97!) USER MOD Set 2.2: A 53 GLN : amide:sc= -0.165 X(o=-1.2,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00619 USER MOD Single : A 44 CYS SG : rot 35:sc= -0.559 USER MOD Single : A 46 THR OG1 : rot 27:sc= 0.128 USER MOD Single : A 47 THR OG1 : rot -88:sc= 0.972 USER MOD Single : A 51 SER OG : rot 180:sc= 0.0307 USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0668) USER MOD Single : A 66 ASN : amide:sc= -1.85 X(o=-1.8,f=-1.8) USER MOD Single : A 74 GLN : amide:sc= -0.871 X(o=-0.87,f=-1.1) USER MOD Single : A 75 TYR OH : rot -21:sc= -0.848 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot -131:sc= -0.569 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= -0.281 (180deg=-1.24!) USER MOD Single : A 92 SER OG : rot 180:sc=0.000695 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 13.305 -6.556 4.510 1.00 0.00 N ATOM 229 CA MET A 19 13.342 -5.452 3.559 1.00 0.00 C ATOM 230 C MET A 19 13.156 -4.116 4.270 1.00 0.00 C ATOM 231 O MET A 19 13.695 -3.095 3.844 1.00 0.00 O ATOM 232 CB MET A 19 12.260 -5.632 2.493 1.00 0.00 C ATOM 233 CG MET A 19 12.317 -6.978 1.789 1.00 0.00 C ATOM 234 SD MET A 19 12.067 -6.844 0.008 1.00 0.00 S ATOM 235 CE MET A 19 10.437 -7.570 -0.161 1.00 0.00 C ATOM 0 HA MET A 19 14.319 -5.453 3.077 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.281 -5.516 2.958 1.00 0.00 H new ATOM 0 HB3 MET A 19 12.357 -4.839 1.751 1.00 0.00 H new ATOM 0 HG2 MET A 19 13.284 -7.444 1.982 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.557 -7.636 2.210 1.00 0.00 H new ATOM 0 HE1 MET A 19 9.847 -6.980 -0.863 1.00 0.00 H new ATOM 0 HE2 MET A 19 10.530 -8.590 -0.533 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.941 -7.581 0.810 1.00 0.00 H new ATOM 245 N LEU A 20 12.389 -4.131 5.355 1.00 0.00 N ATOM 246 CA LEU A 20 12.132 -2.920 6.126 1.00 0.00 C ATOM 247 C LEU A 20 13.331 -2.563 6.997 1.00 0.00 C ATOM 248 O LEU A 20 13.573 -1.391 7.288 1.00 0.00 O ATOM 249 CB LEU A 20 10.888 -3.100 6.999 1.00 0.00 C ATOM 250 CG LEU A 20 9.594 -3.381 6.232 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.450 -3.653 7.197 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.255 -2.215 5.315 1.00 0.00 C ATOM 0 H LEU A 20 11.935 -4.968 5.720 1.00 0.00 H new ATOM 0 HA LEU A 20 11.961 -2.103 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.066 -3.921 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.749 -2.200 7.598 1.00 0.00 H new ATOM 0 HG LEU A 20 9.743 -4.269 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.538 -3.851 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.691 -4.520 7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.300 -2.784 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.332 -2.432 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.125 -1.311 5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.065 -2.067 4.601 1.00 0.00 H new ATOM 264 N THR A 21 14.080 -3.580 7.412 1.00 0.00 N ATOM 265 CA THR A 21 15.254 -3.372 8.251 1.00 0.00 C ATOM 266 C THR A 21 16.476 -3.030 7.401 1.00 0.00 C ATOM 267 O THR A 21 17.360 -2.293 7.836 1.00 0.00 O ATOM 268 CB THR A 21 15.534 -4.618 9.095 1.00 0.00 C ATOM 269 OG1 THR A 21 14.895 -5.756 8.540 1.00 0.00 O ATOM 270 CG2 THR A 21 15.073 -4.484 10.531 1.00 0.00 C ATOM 0 H THR A 21 13.894 -4.556 7.181 1.00 0.00 H new ATOM 0 HA THR A 21 15.050 -2.533 8.916 1.00 0.00 H new ATOM 0 HB THR A 21 16.618 -4.734 9.088 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.088 -6.542 9.093 1.00 0.00 H new ATOM 0 HG21 THR A 21 15.301 -5.401 11.074 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.588 -3.646 11.002 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.998 -4.308 10.553 1.00 0.00 H new ATOM 278 N SER A 22 16.516 -3.571 6.188 1.00 0.00 N ATOM 279 CA SER A 22 17.629 -3.323 5.278 1.00 0.00 C ATOM 280 C SER A 22 17.451 -1.994 4.552 1.00 0.00 C ATOM 281 O SER A 22 18.335 -1.138 4.578 1.00 0.00 O ATOM 282 CB SER A 22 17.748 -4.461 4.263 1.00 0.00 C ATOM 283 OG SER A 22 18.833 -4.243 3.377 1.00 0.00 O ATOM 0 H SER A 22 15.792 -4.183 5.812 1.00 0.00 H new ATOM 0 HA SER A 22 18.545 -3.275 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 22 17.887 -5.407 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.822 -4.544 3.695 1.00 0.00 H new ATOM 0 HG SER A 22 18.889 -4.985 2.739 1.00 0.00 H new ATOM 289 N LEU A 23 16.301 -1.828 3.906 1.00 0.00 N ATOM 290 CA LEU A 23 16.007 -0.602 3.173 1.00 0.00 C ATOM 291 C LEU A 23 15.805 0.569 4.129 1.00 0.00 C ATOM 292 O LEU A 23 16.103 1.715 3.795 1.00 0.00 O ATOM 293 CB LEU A 23 14.760 -0.789 2.306 1.00 0.00 C ATOM 294 CG LEU A 23 14.878 -1.866 1.226 1.00 0.00 C ATOM 295 CD1 LEU A 23 13.528 -2.518 0.975 1.00 0.00 C ATOM 296 CD2 LEU A 23 15.434 -1.272 -0.059 1.00 0.00 C ATOM 0 H LEU A 23 15.558 -2.526 3.875 1.00 0.00 H new ATOM 0 HA LEU A 23 16.859 -0.379 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.919 -1.036 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.524 0.161 1.826 1.00 0.00 H new ATOM 0 HG LEU A 23 15.569 -2.633 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.630 -3.282 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.169 -2.978 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.815 -1.763 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.511 -2.052 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.768 -0.486 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 23 16.422 -0.852 0.132 1.00 0.00 H new ATOM 308 N GLY A 24 15.298 0.272 5.321 1.00 0.00 N ATOM 309 CA GLY A 24 15.065 1.310 6.307 1.00 0.00 C ATOM 310 C GLY A 24 13.679 1.914 6.198 1.00 0.00 C ATOM 311 O GLY A 24 13.478 3.087 6.514 1.00 0.00 O ATOM 0 H GLY A 24 15.044 -0.669 5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.199 0.895 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.811 2.096 6.186 1.00 0.00 H new ATOM 315 N LEU A 25 12.719 1.111 5.749 1.00 0.00 N ATOM 316 CA LEU A 25 11.344 1.574 5.599 1.00 0.00 C ATOM 317 C LEU A 25 10.494 1.148 6.791 1.00 0.00 C ATOM 318 O LEU A 25 10.652 0.046 7.317 1.00 0.00 O ATOM 319 CB LEU A 25 10.738 1.028 4.305 1.00 0.00 C ATOM 320 CG LEU A 25 11.586 1.247 3.051 1.00 0.00 C ATOM 321 CD1 LEU A 25 11.404 0.094 2.075 1.00 0.00 C ATOM 322 CD2 LEU A 25 11.227 2.569 2.389 1.00 0.00 C ATOM 0 H LEU A 25 12.868 0.138 5.483 1.00 0.00 H new ATOM 0 HA LEU A 25 11.357 2.663 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.565 -0.041 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.764 1.494 4.153 1.00 0.00 H new ATOM 0 HG LEU A 25 12.634 1.284 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.015 0.267 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.711 -0.837 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.356 0.025 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.840 2.708 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.174 2.561 2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.409 3.387 3.087 1.00 0.00 H new ATOM 334 N LYS A 26 9.590 2.027 7.212 1.00 0.00 N ATOM 335 CA LYS A 26 8.713 1.743 8.340 1.00 0.00 C ATOM 336 C LYS A 26 7.342 2.379 8.137 1.00 0.00 C ATOM 337 O LYS A 26 7.114 3.085 7.155 1.00 0.00 O ATOM 338 CB LYS A 26 9.340 2.252 9.641 1.00 0.00 C ATOM 339 CG LYS A 26 9.198 1.284 10.805 1.00 0.00 C ATOM 340 CD LYS A 26 8.635 1.971 12.040 1.00 0.00 C ATOM 341 CE LYS A 26 9.360 1.531 13.301 1.00 0.00 C ATOM 342 NZ LYS A 26 9.489 2.642 14.284 1.00 0.00 N ATOM 0 H LYS A 26 9.446 2.943 6.787 1.00 0.00 H new ATOM 0 HA LYS A 26 8.584 0.663 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.398 2.450 9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.877 3.201 9.910 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.545 0.461 10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.171 0.852 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.721 3.052 11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.573 1.744 12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.821 0.702 13.759 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.351 1.161 13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.989 2.301 15.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.025 3.424 13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.543 2.979 14.554 1.00 0.00 H new ATOM 356 N LEU A 27 6.432 2.124 9.070 1.00 0.00 N ATOM 357 CA LEU A 27 5.083 2.672 8.993 1.00 0.00 C ATOM 358 C LEU A 27 5.100 4.186 9.184 1.00 0.00 C ATOM 359 O LEU A 27 5.554 4.686 10.212 1.00 0.00 O ATOM 360 CB LEU A 27 4.185 2.022 10.046 1.00 0.00 C ATOM 361 CG LEU A 27 4.101 0.497 9.973 1.00 0.00 C ATOM 362 CD1 LEU A 27 3.373 -0.057 11.189 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.407 0.064 8.691 1.00 0.00 C ATOM 0 H LEU A 27 6.604 1.541 9.889 1.00 0.00 H new ATOM 0 HA LEU A 27 4.684 2.454 8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.548 2.304 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.180 2.431 9.947 1.00 0.00 H new ATOM 0 HG LEU A 27 5.114 0.096 9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.323 -1.144 11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.911 0.224 12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.363 0.351 11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.356 -1.024 8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.398 0.476 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.969 0.429 7.832 1.00 0.00 H new ATOM 375 N GLY A 28 4.601 4.909 8.187 1.00 0.00 N ATOM 376 CA GLY A 28 4.567 6.357 8.264 1.00 0.00 C ATOM 377 C GLY A 28 5.592 7.010 7.358 1.00 0.00 C ATOM 378 O GLY A 28 5.393 8.131 6.892 1.00 0.00 O ATOM 0 H GLY A 28 4.219 4.517 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.571 6.709 7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.746 6.667 9.293 1.00 0.00 H new ATOM 382 N ASP A 29 6.692 6.306 7.109 1.00 0.00 N ATOM 383 CA ASP A 29 7.753 6.824 6.253 1.00 0.00 C ATOM 384 C ASP A 29 7.240 7.064 4.836 1.00 0.00 C ATOM 385 O ASP A 29 6.150 6.621 4.476 1.00 0.00 O ATOM 386 CB ASP A 29 8.932 5.850 6.221 1.00 0.00 C ATOM 387 CG ASP A 29 9.953 6.142 7.304 1.00 0.00 C ATOM 388 OD1 ASP A 29 10.406 7.302 7.395 1.00 0.00 O ATOM 389 OD2 ASP A 29 10.298 5.210 8.060 1.00 0.00 O ATOM 0 H ASP A 29 6.872 5.376 7.488 1.00 0.00 H new ATOM 0 HA ASP A 29 8.087 7.776 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.562 4.832 6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.416 5.902 5.246 1.00 0.00 H new ATOM 394 N ARG A 30 8.033 7.771 4.038 1.00 0.00 N ATOM 395 CA ARG A 30 7.660 8.070 2.660 1.00 0.00 C ATOM 396 C ARG A 30 8.219 7.020 1.706 1.00 0.00 C ATOM 397 O ARG A 30 9.380 6.628 1.809 1.00 0.00 O ATOM 398 CB ARG A 30 8.166 9.458 2.263 1.00 0.00 C ATOM 399 CG ARG A 30 7.514 10.590 3.041 1.00 0.00 C ATOM 400 CD ARG A 30 6.333 11.178 2.285 1.00 0.00 C ATOM 401 NE ARG A 30 6.676 12.441 1.635 1.00 0.00 N ATOM 402 CZ ARG A 30 6.873 13.582 2.291 1.00 0.00 C ATOM 403 NH1 ARG A 30 6.762 13.624 3.614 1.00 0.00 N ATOM 404 NH2 ARG A 30 7.182 14.686 1.624 1.00 0.00 N ATOM 0 H ARG A 30 8.938 8.148 4.321 1.00 0.00 H new ATOM 0 HA ARG A 30 6.572 8.054 2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.245 9.499 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.987 9.610 1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.179 10.221 4.011 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.249 11.371 3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.991 10.465 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.504 11.338 2.974 1.00 0.00 H new ATOM 0 HE ARG A 30 6.770 12.449 0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.525 12.779 4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.914 14.502 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.269 14.661 0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.333 15.560 2.127 1.00 0.00 H new ATOM 418 N VAL A 31 7.382 6.567 0.777 1.00 0.00 N ATOM 419 CA VAL A 31 7.792 5.562 -0.195 1.00 0.00 C ATOM 420 C VAL A 31 7.430 5.988 -1.614 1.00 0.00 C ATOM 421 O VAL A 31 6.856 7.056 -1.824 1.00 0.00 O ATOM 422 CB VAL A 31 7.142 4.196 0.100 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.820 3.526 1.284 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.650 4.357 0.350 1.00 0.00 C ATOM 0 H VAL A 31 6.416 6.881 0.678 1.00 0.00 H new ATOM 0 HA VAL A 31 8.875 5.467 -0.112 1.00 0.00 H new ATOM 0 HB VAL A 31 7.273 3.556 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.347 2.563 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.876 3.374 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.724 4.160 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.208 3.382 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.493 5.015 1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.178 4.790 -0.532 1.00 0.00 H new ATOM 434 N VAL A 32 7.770 5.146 -2.584 1.00 0.00 N ATOM 435 CA VAL A 32 7.481 5.436 -3.982 1.00 0.00 C ATOM 436 C VAL A 32 7.250 4.151 -4.773 1.00 0.00 C ATOM 437 O VAL A 32 8.059 3.224 -4.719 1.00 0.00 O ATOM 438 CB VAL A 32 8.625 6.236 -4.638 1.00 0.00 C ATOM 439 CG1 VAL A 32 9.921 5.441 -4.616 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.256 6.631 -6.061 1.00 0.00 C ATOM 0 H VAL A 32 8.246 4.258 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 32 6.572 6.038 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 32 8.779 7.148 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.714 6.025 -5.084 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.194 5.219 -3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.785 4.509 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.076 7.194 -6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.070 5.734 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.358 7.248 -6.046 1.00 0.00 H new ATOM 450 N ILE A 33 6.142 4.103 -5.506 1.00 0.00 N ATOM 451 CA ILE A 33 5.806 2.932 -6.306 1.00 0.00 C ATOM 452 C ILE A 33 6.609 2.903 -7.603 1.00 0.00 C ATOM 453 O ILE A 33 6.325 3.651 -8.537 1.00 0.00 O ATOM 454 CB ILE A 33 4.303 2.897 -6.647 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.468 3.128 -5.386 1.00 0.00 C ATOM 456 CG2 ILE A 33 3.940 1.570 -7.297 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.029 3.496 -5.675 1.00 0.00 C ATOM 0 H ILE A 33 5.462 4.861 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 33 6.057 2.057 -5.706 1.00 0.00 H new ATOM 0 HB ILE A 33 4.085 3.697 -7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.488 2.225 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.927 3.922 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.876 1.559 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.516 1.444 -8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.168 0.754 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.496 3.645 -4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.999 4.416 -6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.554 2.693 -6.238 1.00 0.00 H new ATOM 469 N ALA A 34 7.613 2.034 -7.650 1.00 0.00 N ATOM 470 CA ALA A 34 8.457 1.906 -8.832 1.00 0.00 C ATOM 471 C ALA A 34 9.152 3.224 -9.156 1.00 0.00 C ATOM 472 O ALA A 34 9.438 3.517 -10.317 1.00 0.00 O ATOM 473 CB ALA A 34 7.632 1.436 -10.020 1.00 0.00 C ATOM 0 H ALA A 34 7.862 1.408 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 34 9.226 1.163 -8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.274 1.345 -10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.187 0.467 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.842 2.159 -10.223 1.00 0.00 H new ATOM 479 N GLY A 35 9.422 4.015 -8.123 1.00 0.00 N ATOM 480 CA GLY A 35 10.082 5.292 -8.319 1.00 0.00 C ATOM 481 C GLY A 35 9.296 6.218 -9.226 1.00 0.00 C ATOM 482 O GLY A 35 9.875 7.008 -9.971 1.00 0.00 O ATOM 0 H GLY A 35 9.195 3.794 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.229 5.774 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.071 5.125 -8.745 1.00 0.00 H new ATOM 486 N GLN A 36 7.972 6.121 -9.163 1.00 0.00 N ATOM 487 CA GLN A 36 7.104 6.956 -9.985 1.00 0.00 C ATOM 488 C GLN A 36 6.023 7.619 -9.135 1.00 0.00 C ATOM 489 O GLN A 36 5.996 8.841 -8.990 1.00 0.00 O ATOM 490 CB GLN A 36 6.461 6.121 -11.095 1.00 0.00 C ATOM 491 CG GLN A 36 6.705 6.673 -12.491 1.00 0.00 C ATOM 492 CD GLN A 36 6.643 5.601 -13.561 1.00 0.00 C ATOM 493 OE1 GLN A 36 6.629 4.408 -13.260 1.00 0.00 O ATOM 494 NE2 GLN A 36 6.608 6.023 -14.819 1.00 0.00 N ATOM 0 H GLN A 36 7.477 5.472 -8.551 1.00 0.00 H new ATOM 0 HA GLN A 36 7.714 7.738 -10.437 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.848 5.103 -11.043 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.387 6.063 -10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 36 5.963 7.442 -12.709 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.682 7.155 -12.521 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.621 7.022 -15.022 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.568 5.348 -15.582 1.00 0.00 H new ATOM 503 N LYS A 37 5.136 6.803 -8.575 1.00 0.00 N ATOM 504 CA LYS A 37 4.053 7.309 -7.740 1.00 0.00 C ATOM 505 C LYS A 37 4.535 7.549 -6.313 1.00 0.00 C ATOM 506 O LYS A 37 5.109 6.660 -5.683 1.00 0.00 O ATOM 507 CB LYS A 37 2.881 6.327 -7.737 1.00 0.00 C ATOM 508 CG LYS A 37 2.449 5.894 -9.129 1.00 0.00 C ATOM 509 CD LYS A 37 0.940 5.714 -9.216 1.00 0.00 C ATOM 510 CE LYS A 37 0.557 4.245 -9.303 1.00 0.00 C ATOM 511 NZ LYS A 37 0.836 3.677 -10.651 1.00 0.00 N ATOM 0 H LYS A 37 5.146 5.789 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 37 3.719 8.259 -8.157 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.158 5.445 -7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.033 6.787 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.770 6.638 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.943 4.958 -9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.468 6.163 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.559 6.242 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.108 3.681 -8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.503 4.132 -9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.561 2.674 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.291 4.198 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.851 3.761 -10.860 1.00 0.00 H new ATOM 525 N VAL A 38 4.298 8.756 -5.808 1.00 0.00 N ATOM 526 CA VAL A 38 4.709 9.113 -4.456 1.00 0.00 C ATOM 527 C VAL A 38 3.562 8.930 -3.468 1.00 0.00 C ATOM 528 O VAL A 38 2.412 9.254 -3.768 1.00 0.00 O ATOM 529 CB VAL A 38 5.204 10.570 -4.385 1.00 0.00 C ATOM 530 CG1 VAL A 38 5.826 10.857 -3.027 1.00 0.00 C ATOM 531 CG2 VAL A 38 6.196 10.851 -5.504 1.00 0.00 C ATOM 0 H VAL A 38 3.823 9.503 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 38 5.528 8.446 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 38 4.348 11.233 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.170 11.891 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.083 10.698 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.672 10.188 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.535 11.885 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.051 10.182 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.713 10.688 -6.468 1.00 0.00 H new ATOM 541 N GLY A 39 3.882 8.410 -2.286 1.00 0.00 N ATOM 542 CA GLY A 39 2.867 8.194 -1.272 1.00 0.00 C ATOM 543 C GLY A 39 3.459 7.799 0.066 1.00 0.00 C ATOM 544 O GLY A 39 4.562 7.254 0.128 1.00 0.00 O ATOM 0 H GLY A 39 4.826 8.135 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.279 9.104 -1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.183 7.415 -1.607 1.00 0.00 H new ATOM 548 N THR A 40 2.726 8.075 1.140 1.00 0.00 N ATOM 549 CA THR A 40 3.185 7.745 2.484 1.00 0.00 C ATOM 550 C THR A 40 2.895 6.284 2.815 1.00 0.00 C ATOM 551 O THR A 40 1.761 5.822 2.685 1.00 0.00 O ATOM 552 CB THR A 40 2.514 8.657 3.512 1.00 0.00 C ATOM 553 OG1 THR A 40 2.088 9.865 2.909 1.00 0.00 O ATOM 554 CG2 THR A 40 3.415 9.015 4.673 1.00 0.00 C ATOM 0 H THR A 40 1.812 8.526 1.105 1.00 0.00 H new ATOM 0 HA THR A 40 4.263 7.899 2.521 1.00 0.00 H new ATOM 0 HB THR A 40 1.667 8.087 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.660 10.434 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.877 9.664 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.720 8.106 5.191 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.298 9.534 4.301 1.00 0.00 H new ATOM 562 N LEU A 41 3.926 5.564 3.244 1.00 0.00 N ATOM 563 CA LEU A 41 3.780 4.155 3.593 1.00 0.00 C ATOM 564 C LEU A 41 2.843 3.984 4.784 1.00 0.00 C ATOM 565 O LEU A 41 3.022 4.617 5.824 1.00 0.00 O ATOM 566 CB LEU A 41 5.147 3.545 3.914 1.00 0.00 C ATOM 567 CG LEU A 41 5.139 2.034 4.158 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.614 1.299 2.934 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.534 1.547 4.518 1.00 0.00 C ATOM 0 H LEU A 41 4.870 5.932 3.358 1.00 0.00 H new ATOM 0 HA LEU A 41 3.349 3.636 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.827 3.761 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.550 4.039 4.798 1.00 0.00 H new ATOM 0 HG LEU A 41 4.474 1.822 4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.615 0.226 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.597 1.628 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.253 1.516 2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.511 0.471 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.220 1.770 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.873 2.050 5.423 1.00 0.00 H new ATOM 581 N ARG A 42 1.844 3.123 4.623 1.00 0.00 N ATOM 582 CA ARG A 42 0.877 2.867 5.685 1.00 0.00 C ATOM 583 C ARG A 42 0.892 1.397 6.092 1.00 0.00 C ATOM 584 O ARG A 42 1.043 1.069 7.269 1.00 0.00 O ATOM 585 CB ARG A 42 -0.527 3.267 5.231 1.00 0.00 C ATOM 586 CG ARG A 42 -0.607 4.682 4.681 1.00 0.00 C ATOM 587 CD ARG A 42 -0.587 5.715 5.795 1.00 0.00 C ATOM 588 NE ARG A 42 -1.351 6.910 5.448 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.781 7.801 6.341 1.00 0.00 C ATOM 590 NH1 ARG A 42 -1.523 7.635 7.632 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.469 8.861 5.939 1.00 0.00 N ATOM 0 H ARG A 42 1.682 2.591 3.768 1.00 0.00 H new ATOM 0 HA ARG A 42 1.157 3.468 6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.865 2.569 4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.213 3.174 6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.230 4.858 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.519 4.795 4.095 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.996 5.275 6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.444 5.994 6.012 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.568 7.072 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.993 6.822 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.855 8.320 8.311 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.668 8.994 4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.799 9.544 6.621 1.00 0.00 H new ATOM 605 N PHE A 43 0.734 0.515 5.109 1.00 0.00 N ATOM 606 CA PHE A 43 0.729 -0.921 5.364 1.00 0.00 C ATOM 607 C PHE A 43 1.831 -1.617 4.571 1.00 0.00 C ATOM 608 O PHE A 43 2.252 -1.135 3.520 1.00 0.00 O ATOM 609 CB PHE A 43 -0.631 -1.518 5.001 1.00 0.00 C ATOM 610 CG PHE A 43 -0.735 -2.990 5.282 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.325 -3.920 4.340 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.245 -3.445 6.489 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.419 -5.275 4.596 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.342 -4.798 6.750 1.00 0.00 C ATOM 615 CZ PHE A 43 -0.929 -5.715 5.803 1.00 0.00 C ATOM 0 H PHE A 43 0.608 0.770 4.129 1.00 0.00 H new ATOM 0 HA PHE A 43 0.916 -1.078 6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.409 -0.994 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.824 -1.344 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.073 -3.582 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.570 -2.733 7.233 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.094 -5.989 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.741 -5.139 7.694 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.004 -6.773 6.005 1.00 0.00 H new ATOM 625 N CYS A 44 2.294 -2.753 5.083 1.00 0.00 N ATOM 626 CA CYS A 44 3.347 -3.515 4.423 1.00 0.00 C ATOM 627 C CYS A 44 3.218 -5.003 4.734 1.00 0.00 C ATOM 628 O CYS A 44 3.189 -5.404 5.896 1.00 0.00 O ATOM 629 CB CYS A 44 4.723 -3.009 4.860 1.00 0.00 C ATOM 630 SG CYS A 44 4.956 -2.960 6.652 1.00 0.00 S ATOM 0 H CYS A 44 1.956 -3.166 5.953 1.00 0.00 H new ATOM 0 HA CYS A 44 3.241 -3.376 3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.489 -3.648 4.422 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.875 -2.008 4.457 1.00 0.00 H new ATOM 0 HG CYS A 44 4.327 -3.958 7.199 1.00 0.00 H new ATOM 636 N GLY A 45 3.141 -5.816 3.684 1.00 0.00 N ATOM 637 CA GLY A 45 3.016 -7.250 3.867 1.00 0.00 C ATOM 638 C GLY A 45 2.256 -7.915 2.736 1.00 0.00 C ATOM 639 O GLY A 45 2.257 -7.424 1.607 1.00 0.00 O ATOM 0 H GLY A 45 3.163 -5.507 2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.010 -7.692 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.507 -7.450 4.810 1.00 0.00 H new ATOM 643 N THR A 46 1.605 -9.032 3.039 1.00 0.00 N ATOM 644 CA THR A 46 0.837 -9.765 2.039 1.00 0.00 C ATOM 645 C THR A 46 -0.650 -9.435 2.145 1.00 0.00 C ATOM 646 O THR A 46 -1.236 -9.509 3.224 1.00 0.00 O ATOM 647 CB THR A 46 1.049 -11.270 2.205 1.00 0.00 C ATOM 648 OG1 THR A 46 0.632 -11.698 3.489 1.00 0.00 O ATOM 649 CG2 THR A 46 2.491 -11.694 2.027 1.00 0.00 C ATOM 0 H THR A 46 1.593 -9.450 3.969 1.00 0.00 H new ATOM 0 HA THR A 46 1.189 -9.462 1.053 1.00 0.00 H new ATOM 0 HB THR A 46 0.450 -11.733 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.065 -11.096 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.572 -12.773 2.158 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.829 -11.423 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.112 -11.191 2.768 1.00 0.00 H new ATOM 657 N THR A 47 -1.251 -9.073 1.016 1.00 0.00 N ATOM 658 CA THR A 47 -2.669 -8.734 0.982 1.00 0.00 C ATOM 659 C THR A 47 -3.524 -9.985 0.807 1.00 0.00 C ATOM 660 O THR A 47 -3.003 -11.098 0.730 1.00 0.00 O ATOM 661 CB THR A 47 -2.952 -7.746 -0.150 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.419 -8.220 -1.374 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.375 -6.369 0.099 1.00 0.00 C ATOM 0 H THR A 47 -0.779 -9.007 0.114 1.00 0.00 H new ATOM 0 HA THR A 47 -2.928 -8.269 1.933 1.00 0.00 H new ATOM 0 HB THR A 47 -4.038 -7.664 -0.197 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.492 -7.915 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.612 -5.718 -0.742 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.804 -5.954 1.011 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.293 -6.442 0.208 1.00 0.00 H new ATOM 671 N GLU A 48 -4.838 -9.794 0.745 1.00 0.00 N ATOM 672 CA GLU A 48 -5.764 -10.908 0.579 1.00 0.00 C ATOM 673 C GLU A 48 -6.326 -10.940 -0.839 1.00 0.00 C ATOM 674 O GLU A 48 -6.597 -12.009 -1.387 1.00 0.00 O ATOM 675 CB GLU A 48 -6.904 -10.805 1.595 1.00 0.00 C ATOM 676 CG GLU A 48 -6.960 -11.974 2.565 1.00 0.00 C ATOM 677 CD GLU A 48 -8.096 -12.932 2.260 1.00 0.00 C ATOM 678 OE1 GLU A 48 -7.902 -13.831 1.416 1.00 0.00 O ATOM 679 OE2 GLU A 48 -9.177 -12.783 2.867 1.00 0.00 O ATOM 0 H GLU A 48 -5.285 -8.879 0.807 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.217 -11.835 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.794 -9.879 2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.852 -10.741 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.014 -12.515 2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.073 -11.594 3.580 1.00 0.00 H new ATOM 686 N PHE A 49 -6.500 -9.761 -1.428 1.00 0.00 N ATOM 687 CA PHE A 49 -7.030 -9.653 -2.782 1.00 0.00 C ATOM 688 C PHE A 49 -5.994 -10.101 -3.810 1.00 0.00 C ATOM 689 O PHE A 49 -6.309 -10.846 -4.737 1.00 0.00 O ATOM 690 CB PHE A 49 -7.463 -8.215 -3.069 1.00 0.00 C ATOM 691 CG PHE A 49 -6.329 -7.230 -3.049 1.00 0.00 C ATOM 692 CD1 PHE A 49 -5.916 -6.653 -1.860 1.00 0.00 C ATOM 693 CD2 PHE A 49 -5.675 -6.883 -4.221 1.00 0.00 C ATOM 694 CE1 PHE A 49 -4.872 -5.748 -1.839 1.00 0.00 C ATOM 695 CE2 PHE A 49 -4.631 -5.979 -4.206 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.229 -5.410 -3.014 1.00 0.00 C ATOM 0 H PHE A 49 -6.281 -8.867 -0.988 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.898 -10.308 -2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.948 -8.178 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.207 -7.914 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.416 -6.913 -0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.985 -7.325 -5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.559 -5.305 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.129 -5.717 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.413 -4.702 -3.000 1.00 0.00 H new ATOM 706 N ALA A 50 -4.760 -9.639 -3.637 1.00 0.00 N ATOM 707 CA ALA A 50 -3.678 -9.992 -4.549 1.00 0.00 C ATOM 708 C ALA A 50 -2.652 -10.887 -3.862 1.00 0.00 C ATOM 709 O ALA A 50 -2.333 -10.697 -2.689 1.00 0.00 O ATOM 710 CB ALA A 50 -3.010 -8.734 -5.083 1.00 0.00 C ATOM 0 H ALA A 50 -4.484 -9.020 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.104 -10.548 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.204 -9.011 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.744 -8.131 -5.617 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.602 -8.158 -4.252 1.00 0.00 H new ATOM 716 N SER A 51 -2.139 -11.865 -4.603 1.00 0.00 N ATOM 717 CA SER A 51 -1.149 -12.791 -4.065 1.00 0.00 C ATOM 718 C SER A 51 0.262 -12.237 -4.233 1.00 0.00 C ATOM 719 O SER A 51 0.616 -11.724 -5.295 1.00 0.00 O ATOM 720 CB SER A 51 -1.262 -14.150 -4.757 1.00 0.00 C ATOM 721 OG SER A 51 -1.439 -13.999 -6.155 1.00 0.00 O ATOM 0 H SER A 51 -2.392 -12.036 -5.576 1.00 0.00 H new ATOM 0 HA SER A 51 -1.346 -12.916 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.364 -14.736 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.102 -14.705 -4.339 1.00 0.00 H new ATOM 0 HG SER A 51 -1.507 -14.883 -6.573 1.00 0.00 H new ATOM 727 N GLY A 52 1.065 -12.344 -3.179 1.00 0.00 N ATOM 728 CA GLY A 52 2.429 -11.850 -3.229 1.00 0.00 C ATOM 729 C GLY A 52 2.678 -10.736 -2.231 1.00 0.00 C ATOM 730 O GLY A 52 1.977 -10.626 -1.225 1.00 0.00 O ATOM 0 H GLY A 52 0.795 -12.765 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.117 -12.672 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.645 -11.488 -4.234 1.00 0.00 H new ATOM 734 N GLN A 53 3.681 -9.909 -2.508 1.00 0.00 N ATOM 735 CA GLN A 53 4.021 -8.799 -1.625 1.00 0.00 C ATOM 736 C GLN A 53 3.273 -7.533 -2.031 1.00 0.00 C ATOM 737 O GLN A 53 3.065 -7.276 -3.215 1.00 0.00 O ATOM 738 CB GLN A 53 5.529 -8.543 -1.649 1.00 0.00 C ATOM 739 CG GLN A 53 6.359 -9.764 -1.289 1.00 0.00 C ATOM 740 CD GLN A 53 6.815 -9.753 0.157 1.00 0.00 C ATOM 741 OE1 GLN A 53 8.008 -9.652 0.444 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.865 -9.858 1.079 1.00 0.00 N ATOM 0 H GLN A 53 4.272 -9.986 -3.336 1.00 0.00 H new ATOM 0 HA GLN A 53 3.722 -9.069 -0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.815 -8.200 -2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.763 -7.737 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.773 -10.664 -1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.231 -9.811 -1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.888 -9.940 0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.112 -9.857 2.069 1.00 0.00 H new ATOM 751 N TRP A 54 2.871 -6.745 -1.037 1.00 0.00 N ATOM 752 CA TRP A 54 2.145 -5.506 -1.290 1.00 0.00 C ATOM 753 C TRP A 54 2.286 -4.544 -0.114 1.00 0.00 C ATOM 754 O TRP A 54 2.702 -4.936 0.975 1.00 0.00 O ATOM 755 CB TRP A 54 0.667 -5.800 -1.550 1.00 0.00 C ATOM 756 CG TRP A 54 0.435 -6.652 -2.761 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.305 -8.010 -2.794 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.306 -6.202 -4.113 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.103 -8.433 -4.087 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.099 -7.341 -4.915 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.343 -4.945 -4.726 1.00 0.00 C ATOM 762 CZ2 TRP A 54 -0.069 -7.260 -6.294 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.177 -4.867 -6.096 1.00 0.00 C ATOM 764 CH2 TRP A 54 -0.028 -6.019 -6.867 1.00 0.00 C ATOM 0 H TRP A 54 3.036 -6.943 -0.050 1.00 0.00 H new ATOM 0 HA TRP A 54 2.575 -5.036 -2.174 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.244 -6.298 -0.678 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.132 -4.858 -1.670 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.354 -8.658 -1.931 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.023 -9.401 -4.382 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.498 -4.052 -4.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.226 -8.146 -6.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.206 -3.902 -6.580 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.156 -5.925 -7.935 1.00 0.00 H new ATOM 775 N ALA A 55 1.934 -3.283 -0.344 1.00 0.00 N ATOM 776 CA ALA A 55 2.019 -2.265 0.697 1.00 0.00 C ATOM 777 C ALA A 55 1.047 -1.123 0.430 1.00 0.00 C ATOM 778 O ALA A 55 1.087 -0.494 -0.629 1.00 0.00 O ATOM 779 CB ALA A 55 3.442 -1.736 0.800 1.00 0.00 C ATOM 0 H ALA A 55 1.588 -2.942 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 55 1.743 -2.726 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.492 -0.977 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.118 -2.555 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.737 -1.297 -0.153 1.00 0.00 H new ATOM 785 N GLY A 56 0.172 -0.858 1.395 1.00 0.00 N ATOM 786 CA GLY A 56 -0.799 0.209 1.244 1.00 0.00 C ATOM 787 C GLY A 56 -0.175 1.584 1.385 1.00 0.00 C ATOM 788 O GLY A 56 0.151 2.015 2.491 1.00 0.00 O ATOM 0 H GLY A 56 0.118 -1.364 2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.275 0.128 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.584 0.091 1.991 1.00 0.00 H new ATOM 792 N ILE A 57 -0.008 2.274 0.262 1.00 0.00 N ATOM 793 CA ILE A 57 0.581 3.608 0.265 1.00 0.00 C ATOM 794 C ILE A 57 -0.474 4.676 -0.003 1.00 0.00 C ATOM 795 O ILE A 57 -1.388 4.473 -0.801 1.00 0.00 O ATOM 796 CB ILE A 57 1.699 3.731 -0.789 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.672 2.556 -0.674 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.434 5.053 -0.630 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.542 2.370 -1.898 1.00 0.00 C ATOM 0 H ILE A 57 -0.272 1.932 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 57 1.007 3.763 1.256 1.00 0.00 H new ATOM 0 HB ILE A 57 1.247 3.706 -1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.311 2.707 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.106 1.641 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.220 5.125 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.732 5.877 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.877 5.106 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.207 1.520 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.912 2.187 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.135 3.269 -2.063 1.00 0.00 H new ATOM 811 N GLU A 58 -0.339 5.814 0.670 1.00 0.00 N ATOM 812 CA GLU A 58 -1.282 6.916 0.504 1.00 0.00 C ATOM 813 C GLU A 58 -0.668 8.036 -0.329 1.00 0.00 C ATOM 814 O GLU A 58 0.137 8.824 0.168 1.00 0.00 O ATOM 815 CB GLU A 58 -1.709 7.457 1.870 1.00 0.00 C ATOM 816 CG GLU A 58 -3.038 8.197 1.841 1.00 0.00 C ATOM 817 CD GLU A 58 -2.868 9.702 1.900 1.00 0.00 C ATOM 818 OE1 GLU A 58 -1.949 10.169 2.605 1.00 0.00 O ATOM 819 OE2 GLU A 58 -3.654 10.414 1.240 1.00 0.00 O ATOM 0 H GLU A 58 0.413 5.998 1.335 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.159 6.536 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.779 6.628 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.936 8.129 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.578 7.931 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.650 7.871 2.682 1.00 0.00 H new ATOM 826 N LEU A 59 -1.055 8.101 -1.599 1.00 0.00 N ATOM 827 CA LEU A 59 -0.544 9.127 -2.502 1.00 0.00 C ATOM 828 C LEU A 59 -1.006 10.514 -2.068 1.00 0.00 C ATOM 829 O LEU A 59 -2.049 10.660 -1.431 1.00 0.00 O ATOM 830 CB LEU A 59 -1.003 8.848 -3.935 1.00 0.00 C ATOM 831 CG LEU A 59 -0.764 7.419 -4.425 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.875 6.985 -5.368 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.591 7.312 -5.108 1.00 0.00 C ATOM 0 H LEU A 59 -1.720 7.456 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 59 0.545 9.099 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.068 9.068 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.489 9.537 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.768 6.753 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.688 5.966 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.831 7.024 -4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.904 7.653 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.746 6.289 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.623 7.989 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.377 7.581 -4.402 1.00 0.00 H new ATOM 845 N ASP A 60 -0.225 11.529 -2.421 1.00 0.00 N ATOM 846 CA ASP A 60 -0.554 12.905 -2.068 1.00 0.00 C ATOM 847 C ASP A 60 -1.626 13.462 -2.999 1.00 0.00 C ATOM 848 O ASP A 60 -2.455 14.276 -2.592 1.00 0.00 O ATOM 849 CB ASP A 60 0.696 13.783 -2.129 1.00 0.00 C ATOM 850 CG ASP A 60 1.413 13.862 -0.795 1.00 0.00 C ATOM 851 OD1 ASP A 60 1.184 12.977 0.055 1.00 0.00 O ATOM 852 OD2 ASP A 60 2.205 14.809 -0.601 1.00 0.00 O ATOM 0 H ASP A 60 0.640 11.425 -2.951 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.942 12.910 -1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.378 13.388 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.416 14.787 -2.448 1.00 0.00 H new ATOM 857 N GLU A 61 -1.604 13.016 -4.251 1.00 0.00 N ATOM 858 CA GLU A 61 -2.574 13.468 -5.241 1.00 0.00 C ATOM 859 C GLU A 61 -3.615 12.386 -5.516 1.00 0.00 C ATOM 860 O GLU A 61 -3.349 11.198 -5.337 1.00 0.00 O ATOM 861 CB GLU A 61 -1.864 13.853 -6.542 1.00 0.00 C ATOM 862 CG GLU A 61 -0.808 14.930 -6.361 1.00 0.00 C ATOM 863 CD GLU A 61 -0.567 15.728 -7.629 1.00 0.00 C ATOM 864 OE1 GLU A 61 -1.517 15.876 -8.427 1.00 0.00 O ATOM 865 OE2 GLU A 61 0.571 16.203 -7.823 1.00 0.00 O ATOM 0 H GLU A 61 -0.925 12.342 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.084 14.344 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.397 12.965 -6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.605 14.200 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.116 15.606 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.127 14.468 -6.043 1.00 0.00 H new ATOM 872 N PRO A 62 -4.821 12.784 -5.958 1.00 0.00 N ATOM 873 CA PRO A 62 -5.902 11.840 -6.258 1.00 0.00 C ATOM 874 C PRO A 62 -5.560 10.922 -7.426 1.00 0.00 C ATOM 875 O PRO A 62 -5.997 11.147 -8.556 1.00 0.00 O ATOM 876 CB PRO A 62 -7.086 12.745 -6.615 1.00 0.00 C ATOM 877 CG PRO A 62 -6.471 14.039 -7.026 1.00 0.00 C ATOM 878 CD PRO A 62 -5.223 14.180 -6.201 1.00 0.00 C ATOM 0 HA PRO A 62 -6.101 11.173 -5.419 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.681 12.317 -7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.753 12.878 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.238 14.040 -8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.153 14.870 -6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.450 14.735 -6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.414 14.712 -5.269 1.00 0.00 H new ATOM 886 N GLU A 63 -4.775 9.887 -7.148 1.00 0.00 N ATOM 887 CA GLU A 63 -4.372 8.935 -8.176 1.00 0.00 C ATOM 888 C GLU A 63 -4.363 7.511 -7.628 1.00 0.00 C ATOM 889 O GLU A 63 -3.576 6.672 -8.064 1.00 0.00 O ATOM 890 CB GLU A 63 -2.987 9.293 -8.718 1.00 0.00 C ATOM 891 CG GLU A 63 -2.924 10.666 -9.366 1.00 0.00 C ATOM 892 CD GLU A 63 -1.503 11.119 -9.639 1.00 0.00 C ATOM 893 OE1 GLU A 63 -0.868 11.673 -8.717 1.00 0.00 O ATOM 894 OE2 GLU A 63 -1.024 10.918 -10.776 1.00 0.00 O ATOM 0 H GLU A 63 -4.405 9.686 -6.219 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.098 8.988 -8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.265 9.252 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.686 8.542 -9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.481 10.647 -10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.414 11.392 -8.718 1.00 0.00 H new ATOM 901 N GLY A 64 -5.244 7.246 -6.668 1.00 0.00 N ATOM 902 CA GLY A 64 -5.321 5.924 -6.075 1.00 0.00 C ATOM 903 C GLY A 64 -6.591 5.191 -6.457 1.00 0.00 C ATOM 904 O GLY A 64 -7.648 5.804 -6.612 1.00 0.00 O ATOM 0 H GLY A 64 -5.906 7.924 -6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.458 5.337 -6.389 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.268 6.012 -4.990 1.00 0.00 H new ATOM 908 N LYS A 65 -6.490 3.874 -6.609 1.00 0.00 N ATOM 909 CA LYS A 65 -7.640 3.056 -6.976 1.00 0.00 C ATOM 910 C LYS A 65 -8.224 2.358 -5.751 1.00 0.00 C ATOM 911 O LYS A 65 -8.761 1.255 -5.851 1.00 0.00 O ATOM 912 CB LYS A 65 -7.240 2.017 -8.025 1.00 0.00 C ATOM 913 CG LYS A 65 -7.355 2.520 -9.454 1.00 0.00 C ATOM 914 CD LYS A 65 -7.053 1.418 -10.458 1.00 0.00 C ATOM 915 CE LYS A 65 -8.195 0.418 -10.546 1.00 0.00 C ATOM 916 NZ LYS A 65 -9.371 0.980 -11.265 1.00 0.00 N ATOM 0 H LYS A 65 -5.623 3.351 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.402 3.713 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.212 1.704 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.868 1.134 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.360 2.905 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.666 3.351 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.876 1.857 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.137 0.902 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.852 -0.481 -11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.493 0.118 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.050 0.219 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.827 1.703 -10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.058 1.412 -12.158 1.00 0.00 H new ATOM 930 N ASN A 66 -8.116 3.007 -4.597 1.00 0.00 N ATOM 931 CA ASN A 66 -8.633 2.447 -3.354 1.00 0.00 C ATOM 932 C ASN A 66 -8.858 3.540 -2.314 1.00 0.00 C ATOM 933 O ASN A 66 -8.339 4.649 -2.442 1.00 0.00 O ATOM 934 CB ASN A 66 -7.668 1.395 -2.805 1.00 0.00 C ATOM 935 CG ASN A 66 -7.929 0.016 -3.381 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.758 -0.736 -2.869 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.219 -0.321 -4.451 1.00 0.00 N ATOM 0 H ASN A 66 -7.675 3.921 -4.496 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.592 1.975 -3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.644 1.692 -3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.757 1.355 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.350 -1.236 -4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.543 0.335 -4.842 1.00 0.00 H new ATOM 944 N ASN A 67 -9.634 3.218 -1.284 1.00 0.00 N ATOM 945 CA ASN A 67 -9.929 4.171 -0.220 1.00 0.00 C ATOM 946 C ASN A 67 -9.477 3.631 1.134 1.00 0.00 C ATOM 947 O ASN A 67 -10.147 3.829 2.147 1.00 0.00 O ATOM 948 CB ASN A 67 -11.426 4.482 -0.185 1.00 0.00 C ATOM 949 CG ASN A 67 -12.274 3.231 -0.055 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.963 2.336 0.731 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.351 3.163 -0.826 1.00 0.00 N ATOM 0 H ASN A 67 -10.070 2.304 -1.164 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.380 5.090 -0.426 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.636 5.149 0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.705 5.014 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.959 2.345 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.571 3.928 -1.463 1.00 0.00 H new ATOM 958 N GLY A 68 -8.337 2.948 1.143 1.00 0.00 N ATOM 959 CA GLY A 68 -7.816 2.391 2.377 1.00 0.00 C ATOM 960 C GLY A 68 -8.086 0.904 2.502 1.00 0.00 C ATOM 961 O GLY A 68 -7.245 0.153 2.996 1.00 0.00 O ATOM 0 H GLY A 68 -7.765 2.770 0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.741 2.567 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.264 2.911 3.224 1.00 0.00 H new ATOM 965 N SER A 69 -9.263 0.480 2.055 1.00 0.00 N ATOM 966 CA SER A 69 -9.644 -0.927 2.119 1.00 0.00 C ATOM 967 C SER A 69 -9.996 -1.459 0.734 1.00 0.00 C ATOM 968 O SER A 69 -10.562 -0.741 -0.092 1.00 0.00 O ATOM 969 CB SER A 69 -10.830 -1.114 3.066 1.00 0.00 C ATOM 970 OG SER A 69 -11.854 -0.174 2.792 1.00 0.00 O ATOM 0 H SER A 69 -9.970 1.090 1.644 1.00 0.00 H new ATOM 0 HA SER A 69 -8.792 -1.491 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.224 -2.125 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.497 -1.003 4.098 1.00 0.00 H new ATOM 0 HG SER A 69 -12.602 -0.315 3.410 1.00 0.00 H new ATOM 976 N VAL A 70 -9.658 -2.719 0.486 1.00 0.00 N ATOM 977 CA VAL A 70 -9.939 -3.348 -0.798 1.00 0.00 C ATOM 978 C VAL A 70 -11.180 -4.229 -0.720 1.00 0.00 C ATOM 979 O VAL A 70 -11.121 -5.362 -0.243 1.00 0.00 O ATOM 980 CB VAL A 70 -8.748 -4.199 -1.280 1.00 0.00 C ATOM 981 CG1 VAL A 70 -8.985 -4.697 -2.697 1.00 0.00 C ATOM 982 CG2 VAL A 70 -7.455 -3.403 -1.196 1.00 0.00 C ATOM 0 H VAL A 70 -9.188 -3.325 1.158 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.113 -2.543 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.657 -5.066 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.133 -5.296 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.888 -5.307 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.104 -3.845 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.625 -4.020 -1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.533 -2.516 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.279 -3.102 -0.163 1.00 0.00 H new ATOM 992 N GLY A 71 -12.306 -3.700 -1.190 1.00 0.00 N ATOM 993 CA GLY A 71 -13.546 -4.452 -1.165 1.00 0.00 C ATOM 994 C GLY A 71 -13.994 -4.787 0.245 1.00 0.00 C ATOM 995 O GLY A 71 -14.640 -3.976 0.907 1.00 0.00 O ATOM 0 H GLY A 71 -12.381 -2.764 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.326 -3.877 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.419 -5.375 -1.731 1.00 0.00 H new ATOM 999 N ARG A 72 -13.649 -5.986 0.702 1.00 0.00 N ATOM 1000 CA ARG A 72 -14.021 -6.429 2.042 1.00 0.00 C ATOM 1001 C ARG A 72 -12.816 -6.419 2.977 1.00 0.00 C ATOM 1002 O ARG A 72 -12.964 -6.300 4.193 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.628 -7.832 1.986 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.143 -7.835 1.856 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.605 -8.708 0.700 1.00 0.00 C ATOM 1006 NE ARG A 72 -17.807 -9.469 1.036 1.00 0.00 N ATOM 1007 CZ ARG A 72 -17.808 -10.542 1.824 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -16.676 -10.981 2.361 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -18.944 -11.175 2.078 1.00 0.00 N ATOM 0 H ARG A 72 -13.113 -6.668 0.166 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.763 -5.734 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.198 -8.371 1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.348 -8.376 2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.587 -8.194 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.498 -6.815 1.707 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.803 -8.082 -0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.806 -9.396 0.423 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.697 -9.160 0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.799 -10.496 2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.683 -11.804 2.964 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.817 -10.840 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.946 -11.997 2.682 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.621 -6.549 2.405 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.396 -6.556 3.194 1.00 0.00 C ATOM 1025 C VAL A 73 -9.992 -5.143 3.600 1.00 0.00 C ATOM 1026 O VAL A 73 -10.032 -4.217 2.791 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.233 -7.207 2.420 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -8.036 -7.417 3.334 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.674 -8.522 1.798 1.00 0.00 C ATOM 0 H VAL A 73 -11.477 -6.651 1.400 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.602 -7.142 4.089 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.935 -6.534 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.224 -7.878 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.705 -6.456 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.319 -8.069 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.839 -8.966 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -10.001 -9.204 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.498 -8.340 1.109 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.601 -4.986 4.861 1.00 0.00 N ATOM 1040 CA GLN A 74 -9.187 -3.687 5.378 1.00 0.00 C ATOM 1041 C GLN A 74 -7.697 -3.680 5.698 1.00 0.00 C ATOM 1042 O GLN A 74 -7.152 -4.672 6.184 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.991 -3.333 6.632 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.649 -1.969 7.208 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.577 -0.878 6.712 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.797 -1.043 6.697 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -10.002 0.247 6.301 1.00 0.00 N ATOM 0 H GLN A 74 -9.562 -5.743 5.544 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.379 -2.939 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.054 -3.361 6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.816 -4.094 7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.698 -2.015 8.296 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.622 -1.715 6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.987 0.341 6.331 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.576 1.016 5.956 1.00 0.00 H new ATOM 1056 N TYR A 75 -7.041 -2.558 5.421 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.611 -2.426 5.679 1.00 0.00 C ATOM 1058 C TYR A 75 -5.312 -1.142 6.445 1.00 0.00 C ATOM 1059 O TYR A 75 -4.943 -1.180 7.620 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.832 -2.443 4.362 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.093 -3.671 3.520 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.205 -3.745 2.690 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.227 -4.757 3.555 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.447 -4.866 1.919 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.462 -5.881 2.786 1.00 0.00 C ATOM 1066 CZ TYR A 75 -5.572 -5.931 1.971 1.00 0.00 C ATOM 1067 OH TYR A 75 -5.809 -7.049 1.204 1.00 0.00 O ATOM 0 H TYR A 75 -7.476 -1.728 5.018 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.297 -3.272 6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.091 -1.555 3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.766 -2.382 4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -6.892 -2.912 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.356 -4.722 4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.316 -4.908 1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.779 -6.717 2.824 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.757 -7.082 0.957 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.472 -0.005 5.774 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.218 1.289 6.394 1.00 0.00 C ATOM 1079 C PHE A 76 -6.343 2.272 6.085 1.00 0.00 C ATOM 1080 O PHE A 76 -7.064 2.116 5.100 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.882 1.858 5.910 1.00 0.00 C ATOM 1082 CG PHE A 76 -3.847 2.136 4.434 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.793 1.096 3.521 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -3.868 3.439 3.961 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.760 1.349 2.162 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -3.836 3.698 2.603 1.00 0.00 C ATOM 1087 CZ PHE A 76 -3.782 2.652 1.704 1.00 0.00 C ATOM 0 H PHE A 76 -5.776 0.045 4.802 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.174 1.143 7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.673 2.781 6.450 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.086 1.156 6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.776 0.076 3.875 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.910 4.261 4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.717 0.529 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.853 4.717 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.757 2.852 0.643 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.487 3.284 6.935 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.524 4.293 6.753 1.00 0.00 C ATOM 1099 C LYS A 77 -6.967 5.523 6.047 1.00 0.00 C ATOM 1100 O LYS A 77 -6.003 6.134 6.508 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.119 4.692 8.105 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.180 3.728 8.612 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.660 2.882 9.764 1.00 0.00 C ATOM 1104 CE LYS A 77 -9.727 2.672 10.826 1.00 0.00 C ATOM 1105 NZ LYS A 77 -9.147 2.194 12.111 1.00 0.00 N ATOM 0 H LYS A 77 -5.899 3.427 7.756 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.309 3.864 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.317 4.756 8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.555 5.687 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.056 4.288 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.501 3.078 7.798 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.326 1.916 9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.792 3.367 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.260 3.608 10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.459 1.948 10.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.908 2.063 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.660 1.288 11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.468 2.896 12.468 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.581 5.885 4.925 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.147 7.044 4.154 1.00 0.00 C ATOM 1121 C CYS A 78 -8.325 7.690 3.433 1.00 0.00 C ATOM 1122 O CYS A 78 -9.460 7.223 3.536 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.074 6.637 3.142 1.00 0.00 C ATOM 1124 SG CYS A 78 -6.625 5.407 1.938 1.00 0.00 S ATOM 0 H CYS A 78 -8.381 5.392 4.529 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.725 7.773 4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -5.737 7.526 2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.213 6.242 3.681 1.00 0.00 H new ATOM 0 HG CYS A 78 -5.757 4.441 1.876 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.049 8.765 2.703 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.088 9.474 1.966 1.00 0.00 C ATOM 1132 C ALA A 79 -9.483 8.712 0.703 1.00 0.00 C ATOM 1133 O ALA A 79 -8.648 8.059 0.078 1.00 0.00 O ATOM 1134 CB ALA A 79 -8.619 10.877 1.613 1.00 0.00 C ATOM 0 H ALA A 79 -7.115 9.164 2.606 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.968 9.547 2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.404 11.395 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.393 11.426 2.527 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.723 10.816 0.996 1.00 0.00 H new ATOM 1140 N PRO A 80 -10.766 8.784 0.308 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.263 8.095 -0.889 1.00 0.00 C ATOM 1142 C PRO A 80 -10.510 8.510 -2.148 1.00 0.00 C ATOM 1143 O PRO A 80 -10.208 9.686 -2.344 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.729 8.533 -0.978 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.089 8.968 0.401 1.00 0.00 C ATOM 1146 CD PRO A 80 -11.832 9.538 0.992 1.00 0.00 C ATOM 0 HA PRO A 80 -11.133 7.015 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.855 9.346 -1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.366 7.714 -1.312 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.884 9.713 0.381 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.454 8.129 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.750 10.609 0.807 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.795 9.397 2.072 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.210 7.534 -2.999 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.495 7.797 -4.243 1.00 0.00 C ATOM 1156 C LYS A 81 -8.132 8.428 -3.967 1.00 0.00 C ATOM 1157 O LYS A 81 -7.811 9.495 -4.490 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.323 8.712 -5.148 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.599 8.065 -5.663 1.00 0.00 C ATOM 1160 CD LYS A 81 -11.733 8.211 -7.170 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.295 9.571 -7.551 1.00 0.00 C ATOM 1162 NZ LYS A 81 -12.150 9.843 -9.008 1.00 0.00 N ATOM 0 H LYS A 81 -10.451 6.554 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.336 6.845 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.581 9.617 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.712 9.018 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.604 7.008 -5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.461 8.520 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.758 8.075 -7.638 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.384 7.426 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.349 9.619 -7.276 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.782 10.348 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.545 10.780 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.143 9.823 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.661 9.117 -9.549 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.334 7.759 -3.142 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.006 8.251 -2.796 1.00 0.00 C ATOM 1178 C TYR A 82 -5.073 7.095 -2.449 1.00 0.00 C ATOM 1179 O TYR A 82 -3.940 7.032 -2.928 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.088 9.226 -1.621 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.472 10.631 -2.026 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.580 11.444 -2.714 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -7.726 11.145 -1.721 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.926 12.730 -3.085 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.080 12.429 -2.089 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.178 13.217 -2.770 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.527 14.496 -3.138 1.00 0.00 O ATOM 0 H TYR A 82 -7.584 6.874 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.603 8.774 -3.663 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.816 8.853 -0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.123 9.254 -1.115 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.600 11.065 -2.963 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.436 10.531 -1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.220 13.350 -3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.059 12.813 -1.844 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.442 14.683 -2.842 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.557 6.181 -1.615 1.00 0.00 N ATOM 1198 CA GLY A 83 -4.754 5.038 -1.219 1.00 0.00 C ATOM 1199 C GLY A 83 -4.638 4.005 -2.322 1.00 0.00 C ATOM 1200 O GLY A 83 -5.597 3.755 -3.051 1.00 0.00 O ATOM 0 H GLY A 83 -6.491 6.211 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.758 5.378 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.195 4.575 -0.336 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.459 3.405 -2.447 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.222 2.394 -3.471 1.00 0.00 C ATOM 1206 C ILE A 84 -2.309 1.288 -2.952 1.00 0.00 C ATOM 1207 O ILE A 84 -1.558 1.485 -1.996 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.598 3.016 -4.737 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.437 1.957 -5.830 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.257 3.660 -4.411 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.281 2.540 -7.218 1.00 0.00 C ATOM 0 H ILE A 84 -2.654 3.601 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.191 1.966 -3.727 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.268 3.792 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.566 1.342 -5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.305 1.298 -5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.832 4.093 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.401 4.443 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.577 2.905 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.172 1.732 -7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.162 3.132 -7.465 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.396 3.176 -7.248 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.379 0.123 -3.588 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.559 -1.017 -3.192 1.00 0.00 C ATOM 1225 C PHE A 85 -0.596 -1.408 -4.308 1.00 0.00 C ATOM 1226 O PHE A 85 -1.006 -1.625 -5.449 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.447 -2.209 -2.829 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.269 -1.990 -1.591 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -2.729 -2.222 -0.336 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -4.581 -1.556 -1.683 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -3.484 -2.022 0.805 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -5.341 -1.356 -0.546 1.00 0.00 C ATOM 1233 CZ PHE A 85 -4.792 -1.589 0.700 1.00 0.00 C ATOM 0 H PHE A 85 -2.996 -0.057 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.976 -0.727 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.113 -2.423 -3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.820 -3.089 -2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.708 -2.563 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.015 -1.372 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.052 -2.204 1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.363 -1.018 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.384 -1.433 1.590 1.00 0.00 H new ATOM 1243 N ALA A 86 0.686 -1.500 -3.971 1.00 0.00 N ATOM 1244 CA ALA A 86 1.709 -1.868 -4.942 1.00 0.00 C ATOM 1245 C ALA A 86 2.695 -2.867 -4.346 1.00 0.00 C ATOM 1246 O ALA A 86 2.847 -2.951 -3.128 1.00 0.00 O ATOM 1247 CB ALA A 86 2.440 -0.627 -5.433 1.00 0.00 C ATOM 0 H ALA A 86 1.041 -1.324 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 86 1.218 -2.345 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.201 -0.916 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.729 0.051 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.914 -0.126 -4.589 1.00 0.00 H new ATOM 1253 N PRO A 87 3.383 -3.645 -5.202 1.00 0.00 N ATOM 1254 CA PRO A 87 4.358 -4.644 -4.751 1.00 0.00 C ATOM 1255 C PRO A 87 5.495 -4.021 -3.949 1.00 0.00 C ATOM 1256 O PRO A 87 6.222 -3.165 -4.449 1.00 0.00 O ATOM 1257 CB PRO A 87 4.893 -5.249 -6.054 1.00 0.00 C ATOM 1258 CG PRO A 87 3.865 -4.927 -7.083 1.00 0.00 C ATOM 1259 CD PRO A 87 3.263 -3.615 -6.669 1.00 0.00 C ATOM 0 HA PRO A 87 3.904 -5.377 -4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.861 -4.824 -6.318 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.033 -6.326 -5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.314 -4.855 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.105 -5.707 -7.133 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.800 -2.770 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.224 -3.529 -6.987 1.00 0.00 H new ATOM 1267 N LEU A 88 5.638 -4.456 -2.697 1.00 0.00 N ATOM 1268 CA LEU A 88 6.689 -3.942 -1.826 1.00 0.00 C ATOM 1269 C LEU A 88 8.025 -3.966 -2.550 1.00 0.00 C ATOM 1270 O LEU A 88 8.773 -2.988 -2.539 1.00 0.00 O ATOM 1271 CB LEU A 88 6.772 -4.770 -0.541 1.00 0.00 C ATOM 1272 CG LEU A 88 7.505 -4.093 0.619 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.516 -3.394 1.538 1.00 0.00 C ATOM 1274 CD2 LEU A 88 8.330 -5.110 1.395 1.00 0.00 C ATOM 0 H LEU A 88 5.040 -5.161 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 88 6.448 -2.913 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.760 -5.014 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.271 -5.713 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 88 8.182 -3.343 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.055 -2.918 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.969 -2.638 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.815 -4.125 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.844 -4.611 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.673 -5.883 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.064 -5.566 0.731 1.00 0.00 H new ATOM 1286 N SER A 89 8.303 -5.091 -3.199 1.00 0.00 N ATOM 1287 CA SER A 89 9.535 -5.247 -3.958 1.00 0.00 C ATOM 1288 C SER A 89 9.641 -4.142 -5.002 1.00 0.00 C ATOM 1289 O SER A 89 10.737 -3.783 -5.435 1.00 0.00 O ATOM 1290 CB SER A 89 9.574 -6.618 -4.637 1.00 0.00 C ATOM 1291 OG SER A 89 10.879 -6.920 -5.101 1.00 0.00 O ATOM 0 H SER A 89 7.691 -5.907 -3.214 1.00 0.00 H new ATOM 0 HA SER A 89 10.381 -5.175 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.248 -7.385 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.875 -6.633 -5.473 1.00 0.00 H new ATOM 0 HG SER A 89 10.878 -7.801 -5.529 1.00 0.00 H new ATOM 1297 N LYS A 90 8.490 -3.595 -5.388 1.00 0.00 N ATOM 1298 CA LYS A 90 8.449 -2.516 -6.365 1.00 0.00 C ATOM 1299 C LYS A 90 8.412 -1.159 -5.666 1.00 0.00 C ATOM 1300 O LYS A 90 8.617 -0.122 -6.298 1.00 0.00 O ATOM 1301 CB LYS A 90 7.228 -2.667 -7.274 1.00 0.00 C ATOM 1302 CG LYS A 90 7.406 -3.713 -8.363 1.00 0.00 C ATOM 1303 CD LYS A 90 7.185 -3.124 -9.748 1.00 0.00 C ATOM 1304 CE LYS A 90 8.044 -3.819 -10.793 1.00 0.00 C ATOM 1305 NZ LYS A 90 9.489 -3.784 -10.437 1.00 0.00 N ATOM 0 H LYS A 90 7.576 -3.883 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 90 9.352 -2.572 -6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.363 -2.931 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.010 -1.705 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.409 -4.135 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.706 -4.532 -8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.134 -3.216 -10.020 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.418 -2.059 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.721 -4.855 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.897 -3.340 -11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.061 -3.778 -11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.690 -2.926 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.728 -4.623 -9.871 1.00 0.00 H new ATOM 1319 N ILE A 91 8.151 -1.170 -4.359 1.00 0.00 N ATOM 1320 CA ILE A 91 8.090 0.063 -3.585 1.00 0.00 C ATOM 1321 C ILE A 91 9.401 0.311 -2.846 1.00 0.00 C ATOM 1322 O ILE A 91 9.829 -0.504 -2.030 1.00 0.00 O ATOM 1323 CB ILE A 91 6.933 0.031 -2.566 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.621 -0.332 -3.263 1.00 0.00 C ATOM 1325 CG2 ILE A 91 6.808 1.373 -1.858 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.625 -1.019 -2.355 1.00 0.00 C ATOM 0 H ILE A 91 7.979 -2.018 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 91 7.916 0.874 -4.292 1.00 0.00 H new ATOM 0 HB ILE A 91 7.151 -0.732 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.169 0.575 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.837 -0.983 -4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.987 1.332 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.737 1.595 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.611 2.155 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.719 -1.247 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.058 -1.944 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.380 -0.362 -1.521 1.00 0.00 H new ATOM 1338 N SER A 92 10.032 1.444 -3.136 1.00 0.00 N ATOM 1339 CA SER A 92 11.294 1.803 -2.500 1.00 0.00 C ATOM 1340 C SER A 92 11.140 3.070 -1.665 1.00 0.00 C ATOM 1341 O SER A 92 10.068 3.674 -1.626 1.00 0.00 O ATOM 1342 CB SER A 92 12.383 2.004 -3.555 1.00 0.00 C ATOM 1343 OG SER A 92 13.672 1.795 -3.005 1.00 0.00 O ATOM 0 H SER A 92 9.689 2.130 -3.808 1.00 0.00 H new ATOM 0 HA SER A 92 11.584 0.986 -1.840 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.222 1.315 -4.384 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.317 3.013 -3.962 1.00 0.00 H new ATOM 0 HG SER A 92 14.350 1.928 -3.700 1.00 0.00 H new ATOM 1349 N LYS A 93 12.219 3.467 -0.996 1.00 0.00 N ATOM 1350 CA LYS A 93 12.203 4.662 -0.162 1.00 0.00 C ATOM 1351 C LYS A 93 12.246 5.924 -1.017 1.00 0.00 C ATOM 1352 O LYS A 93 12.961 5.985 -2.017 1.00 0.00 O ATOM 1353 CB LYS A 93 13.387 4.649 0.808 1.00 0.00 C ATOM 1354 CG LYS A 93 13.140 5.443 2.080 1.00 0.00 C ATOM 1355 CD LYS A 93 14.348 6.286 2.457 1.00 0.00 C ATOM 1356 CE LYS A 93 14.576 6.295 3.960 1.00 0.00 C ATOM 1357 NZ LYS A 93 15.890 6.894 4.320 1.00 0.00 N ATOM 0 H LYS A 93 13.114 2.978 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 93 11.274 4.663 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.618 3.617 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.265 5.052 0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.273 6.089 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.903 4.760 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.235 5.897 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.204 7.307 2.104 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.777 6.856 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.526 5.275 4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.006 6.881 5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.655 6.344 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.929 7.876 3.980 1.00 0.00 H new ATOM 1371 N LEU A 94 11.476 6.931 -0.616 1.00 0.00 N ATOM 1372 CA LEU A 94 11.426 8.193 -1.346 1.00 0.00 C ATOM 1373 C LEU A 94 12.492 9.157 -0.836 1.00 0.00 C ATOM 1374 O LEU A 94 12.697 9.290 0.370 1.00 0.00 O ATOM 1375 CB LEU A 94 10.041 8.829 -1.213 1.00 0.00 C ATOM 1376 CG LEU A 94 9.832 10.103 -2.034 1.00 0.00 C ATOM 1377 CD1 LEU A 94 9.343 9.762 -3.432 1.00 0.00 C ATOM 1378 CD2 LEU A 94 8.849 11.031 -1.335 1.00 0.00 C ATOM 0 H LEU A 94 10.878 6.898 0.210 1.00 0.00 H new ATOM 0 HA LEU A 94 11.622 7.985 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.291 8.096 -1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.863 9.059 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 94 10.789 10.618 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.200 10.680 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.081 9.136 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.397 9.225 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.712 11.932 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.891 10.524 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.239 11.302 -0.354 1.00 0.00 H new