USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 705 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 80 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 TYR OH : rot 143:sc= 0.126 USER MOD Set 2.1: A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 92 TYR OH : rot 180:sc=-0.000881 USER MOD Single : A 18 THR OG1 : rot 35:sc= 0.152 USER MOD Single : A 19 TYR OH : rot -155:sc= 1.28 USER MOD Single : A 22 SER OG : rot 180:sc= -0.176 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -59:sc= 0.144 USER MOD Single : A 59 GLN : amide:sc= -1.15 K(o=-1.2,f=-4.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 84 TYR OH : rot 83:sc= -3.44! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -113:sc= -0.788 (180deg=-4.73!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -90:sc= 0.428 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.091 USER MOD Single : A 113 THR OG1 : rot 24:sc= 0.353 USER MOD ----------------------------------------------------------------- ATOM 244 N THR A 18 -2.882 -20.868 -0.294 1.00 0.00 N ATOM 245 CA THR A 18 -1.449 -20.957 -0.040 1.00 0.00 C ATOM 246 C THR A 18 -0.893 -19.624 0.445 1.00 0.00 C ATOM 247 O THR A 18 0.017 -19.585 1.274 1.00 0.00 O ATOM 248 CB THR A 18 -0.681 -21.393 -1.302 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.276 -22.571 -1.856 1.00 0.00 O ATOM 250 CG2 THR A 18 0.781 -21.660 -0.980 1.00 0.00 C ATOM 0 HA THR A 18 -1.312 -21.709 0.737 1.00 0.00 H new ATOM 0 HB THR A 18 -0.734 -20.584 -2.030 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.247 -22.538 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.303 -21.966 -1.886 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.239 -20.752 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.851 -22.453 -0.235 1.00 0.00 H new ATOM 258 N TYR A 19 -1.445 -18.533 -0.074 1.00 0.00 N ATOM 259 CA TYR A 19 -1.002 -17.197 0.306 1.00 0.00 C ATOM 260 C TYR A 19 -1.398 -16.881 1.745 1.00 0.00 C ATOM 261 O TYR A 19 -2.324 -17.479 2.292 1.00 0.00 O ATOM 262 CB TYR A 19 -1.597 -16.152 -0.640 1.00 0.00 C ATOM 263 CG TYR A 19 -3.024 -15.777 -0.309 1.00 0.00 C ATOM 264 CD1 TYR A 19 -4.091 -16.489 -0.842 1.00 0.00 C ATOM 265 CD2 TYR A 19 -3.304 -14.711 0.537 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.396 -16.150 -0.542 1.00 0.00 C ATOM 267 CE2 TYR A 19 -4.606 -14.366 0.843 1.00 0.00 C ATOM 268 CZ TYR A 19 -5.649 -15.088 0.301 1.00 0.00 C ATOM 269 OH TYR A 19 -6.947 -14.747 0.602 1.00 0.00 O ATOM 0 H TYR A 19 -2.200 -18.548 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 19 0.085 -17.167 0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.979 -15.255 -0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.558 -16.534 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.897 -17.322 -1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.490 -14.143 0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.214 -16.714 -0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.806 -13.535 1.503 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.987 -13.800 0.852 1.00 0.00 H new ATOM 279 N ASP A 20 -0.689 -15.935 2.351 1.00 0.00 N ATOM 280 CA ASP A 20 -0.965 -15.536 3.726 1.00 0.00 C ATOM 281 C ASP A 20 -0.687 -14.049 3.927 1.00 0.00 C ATOM 282 O ASP A 20 0.436 -13.586 3.729 1.00 0.00 O ATOM 283 CB ASP A 20 -0.122 -16.361 4.699 1.00 0.00 C ATOM 284 CG ASP A 20 -0.824 -17.631 5.140 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.049 -17.580 5.376 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.147 -18.675 5.249 1.00 0.00 O ATOM 0 H ASP A 20 0.081 -15.430 1.912 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.020 -15.720 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.826 -16.619 4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.113 -15.756 5.575 1.00 0.00 H new ATOM 291 N ALA A 21 -1.717 -13.307 4.321 1.00 0.00 N ATOM 292 CA ALA A 21 -1.582 -11.874 4.550 1.00 0.00 C ATOM 293 C ALA A 21 -0.712 -11.592 5.770 1.00 0.00 C ATOM 294 O ALA A 21 0.162 -10.726 5.733 1.00 0.00 O ATOM 295 CB ALA A 21 -2.953 -11.236 4.718 1.00 0.00 C ATOM 0 H ALA A 21 -2.654 -13.675 4.488 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.093 -11.436 3.680 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.838 -10.166 4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.543 -11.398 3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.462 -11.686 5.570 1.00 0.00 H new ATOM 301 N SER A 22 -0.956 -12.328 6.849 1.00 0.00 N ATOM 302 CA SER A 22 -0.197 -12.153 8.082 1.00 0.00 C ATOM 303 C SER A 22 1.302 -12.228 7.811 1.00 0.00 C ATOM 304 O SER A 22 2.105 -11.624 8.523 1.00 0.00 O ATOM 305 CB SER A 22 -0.596 -13.217 9.106 1.00 0.00 C ATOM 306 OG SER A 22 -0.412 -12.745 10.429 1.00 0.00 O ATOM 0 H SER A 22 -1.674 -13.052 6.895 1.00 0.00 H new ATOM 0 HA SER A 22 -0.427 -11.167 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.639 -13.496 8.958 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.000 -14.117 8.951 1.00 0.00 H new ATOM 0 HG SER A 22 -0.675 -13.443 11.065 1.00 0.00 H new ATOM 312 N LYS A 23 1.674 -12.974 6.777 1.00 0.00 N ATOM 313 CA LYS A 23 3.076 -13.129 6.409 1.00 0.00 C ATOM 314 C LYS A 23 3.516 -12.018 5.461 1.00 0.00 C ATOM 315 O LYS A 23 4.415 -12.207 4.641 1.00 0.00 O ATOM 316 CB LYS A 23 3.306 -14.493 5.754 1.00 0.00 C ATOM 317 CG LYS A 23 3.177 -15.660 6.717 1.00 0.00 C ATOM 318 CD LYS A 23 4.295 -15.660 7.745 1.00 0.00 C ATOM 319 CE LYS A 23 4.410 -17.007 8.443 1.00 0.00 C ATOM 320 NZ LYS A 23 3.336 -17.201 9.456 1.00 0.00 N ATOM 0 H LYS A 23 1.023 -13.482 6.178 1.00 0.00 H new ATOM 0 HA LYS A 23 3.673 -13.064 7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.590 -14.622 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.300 -14.509 5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.214 -15.609 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.194 -16.597 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.240 -15.420 7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.111 -14.880 8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.359 -17.805 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.384 -17.083 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.450 -18.130 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.400 -16.454 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.407 -17.154 8.991 1.00 0.00 H new ATOM 334 N VAL A 24 2.878 -10.858 5.580 1.00 0.00 N ATOM 335 CA VAL A 24 3.205 -9.715 4.736 1.00 0.00 C ATOM 336 C VAL A 24 3.641 -8.519 5.575 1.00 0.00 C ATOM 337 O VAL A 24 2.963 -8.135 6.528 1.00 0.00 O ATOM 338 CB VAL A 24 2.008 -9.304 3.858 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.298 -7.996 3.138 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.673 -10.406 2.865 1.00 0.00 C ATOM 0 H VAL A 24 2.131 -10.685 6.253 1.00 0.00 H new ATOM 0 HA VAL A 24 4.029 -10.023 4.092 1.00 0.00 H new ATOM 0 HB VAL A 24 1.142 -9.152 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.441 -7.722 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.485 -7.211 3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.176 -8.117 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.825 -10.099 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.535 -10.592 2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.419 -11.318 3.405 1.00 0.00 H new ATOM 350 N THR A 25 4.778 -7.932 5.213 1.00 0.00 N ATOM 351 CA THR A 25 5.305 -6.779 5.932 1.00 0.00 C ATOM 352 C THR A 25 5.978 -5.797 4.980 1.00 0.00 C ATOM 353 O THR A 25 6.251 -6.126 3.826 1.00 0.00 O ATOM 354 CB THR A 25 6.318 -7.205 7.012 1.00 0.00 C ATOM 355 OG1 THR A 25 7.384 -7.952 6.415 1.00 0.00 O ATOM 356 CG2 THR A 25 5.642 -8.045 8.086 1.00 0.00 C ATOM 0 H THR A 25 5.351 -8.236 4.426 1.00 0.00 H new ATOM 0 HA THR A 25 4.456 -6.292 6.412 1.00 0.00 H new ATOM 0 HB THR A 25 6.721 -6.305 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.025 -8.218 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.376 -8.334 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.850 -7.464 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.215 -8.940 7.633 1.00 0.00 H new ATOM 364 N ALA A 26 6.244 -4.591 5.471 1.00 0.00 N ATOM 365 CA ALA A 26 6.888 -3.563 4.664 1.00 0.00 C ATOM 366 C ALA A 26 7.852 -2.730 5.502 1.00 0.00 C ATOM 367 O ALA A 26 7.695 -2.619 6.718 1.00 0.00 O ATOM 368 CB ALA A 26 5.841 -2.668 4.016 1.00 0.00 C ATOM 0 H ALA A 26 6.023 -4.302 6.424 1.00 0.00 H new ATOM 0 HA ALA A 26 7.463 -4.058 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.336 -1.904 3.416 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.194 -3.269 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.242 -2.189 4.791 1.00 0.00 H new ATOM 374 N SER A 27 8.850 -2.148 4.844 1.00 0.00 N ATOM 375 CA SER A 27 9.842 -1.330 5.530 1.00 0.00 C ATOM 376 C SER A 27 10.356 -0.220 4.618 1.00 0.00 C ATOM 377 O SER A 27 10.424 -0.383 3.401 1.00 0.00 O ATOM 378 CB SER A 27 11.010 -2.197 6.004 1.00 0.00 C ATOM 379 OG SER A 27 10.597 -3.100 7.015 1.00 0.00 O ATOM 0 H SER A 27 8.992 -2.228 3.837 1.00 0.00 H new ATOM 0 HA SER A 27 9.363 -0.873 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.420 -2.753 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.809 -1.560 6.385 1.00 0.00 H new ATOM 0 HG SER A 27 11.361 -3.644 7.300 1.00 0.00 H new ATOM 385 N GLY A 28 10.716 0.911 5.217 1.00 0.00 N ATOM 386 CA GLY A 28 11.219 2.032 4.445 1.00 0.00 C ATOM 387 C GLY A 28 10.764 3.368 4.998 1.00 0.00 C ATOM 388 O GLY A 28 10.150 3.447 6.062 1.00 0.00 O ATOM 0 H GLY A 28 10.668 1.071 6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.308 2.000 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.884 1.937 3.412 1.00 0.00 H new ATOM 392 N PRO A 29 11.070 4.451 4.268 1.00 0.00 N ATOM 393 CA PRO A 29 10.699 5.810 4.673 1.00 0.00 C ATOM 394 C PRO A 29 9.196 6.052 4.583 1.00 0.00 C ATOM 395 O PRO A 29 8.617 6.744 5.419 1.00 0.00 O ATOM 396 CB PRO A 29 11.444 6.695 3.671 1.00 0.00 C ATOM 397 CG PRO A 29 11.631 5.833 2.470 1.00 0.00 C ATOM 398 CD PRO A 29 11.800 4.431 2.989 1.00 0.00 C ATOM 0 HA PRO A 29 10.957 6.010 5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.870 7.590 3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.401 7.028 4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.772 5.901 1.803 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.504 6.145 1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.385 3.695 2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.851 4.178 3.130 1.00 0.00 H new ATOM 406 N GLY A 30 8.568 5.476 3.561 1.00 0.00 N ATOM 407 CA GLY A 30 7.138 5.641 3.381 1.00 0.00 C ATOM 408 C GLY A 30 6.347 5.215 4.602 1.00 0.00 C ATOM 409 O GLY A 30 5.265 5.741 4.865 1.00 0.00 O ATOM 0 H GLY A 30 9.025 4.898 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.921 6.686 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.814 5.057 2.520 1.00 0.00 H new ATOM 413 N LEU A 31 6.885 4.257 5.349 1.00 0.00 N ATOM 414 CA LEU A 31 6.222 3.758 6.548 1.00 0.00 C ATOM 415 C LEU A 31 7.064 4.030 7.790 1.00 0.00 C ATOM 416 O LEU A 31 6.952 3.328 8.795 1.00 0.00 O ATOM 417 CB LEU A 31 5.952 2.258 6.419 1.00 0.00 C ATOM 418 CG LEU A 31 5.280 1.806 5.123 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.587 0.342 4.844 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.777 2.033 5.194 1.00 0.00 C ATOM 0 H LEU A 31 7.779 3.810 5.145 1.00 0.00 H new ATOM 0 HA LEU A 31 5.273 4.284 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.900 1.729 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.326 1.949 7.256 1.00 0.00 H new ATOM 0 HG LEU A 31 5.679 2.402 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.100 0.038 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.665 0.208 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.217 -0.270 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.315 1.705 4.263 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.362 1.463 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.576 3.094 5.345 1.00 0.00 H new ATOM 432 N SER A 32 7.907 5.055 7.714 1.00 0.00 N ATOM 433 CA SER A 32 8.770 5.420 8.831 1.00 0.00 C ATOM 434 C SER A 32 7.949 5.953 10.001 1.00 0.00 C ATOM 435 O SER A 32 7.389 7.047 9.933 1.00 0.00 O ATOM 436 CB SER A 32 9.794 6.469 8.392 1.00 0.00 C ATOM 437 OG SER A 32 10.571 6.914 9.490 1.00 0.00 O ATOM 0 H SER A 32 8.011 5.647 6.890 1.00 0.00 H new ATOM 0 HA SER A 32 9.297 4.523 9.158 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.447 6.047 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.280 7.317 7.939 1.00 0.00 H new ATOM 0 HG SER A 32 11.219 7.582 9.183 1.00 0.00 H new ATOM 443 N SER A 33 7.881 5.171 11.074 1.00 0.00 N ATOM 444 CA SER A 33 7.125 5.561 12.258 1.00 0.00 C ATOM 445 C SER A 33 7.546 6.947 12.739 1.00 0.00 C ATOM 446 O SER A 33 6.723 7.725 13.221 1.00 0.00 O ATOM 447 CB SER A 33 7.326 4.538 13.377 1.00 0.00 C ATOM 448 OG SER A 33 6.831 5.028 14.611 1.00 0.00 O ATOM 0 H SER A 33 8.341 4.263 11.147 1.00 0.00 H new ATOM 0 HA SER A 33 6.069 5.593 11.990 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.817 3.609 13.120 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.386 4.304 13.474 1.00 0.00 H new ATOM 0 HG SER A 33 6.970 4.355 15.310 1.00 0.00 H new ATOM 454 N TYR A 34 8.833 7.247 12.604 1.00 0.00 N ATOM 455 CA TYR A 34 9.365 8.537 13.026 1.00 0.00 C ATOM 456 C TYR A 34 8.686 9.679 12.276 1.00 0.00 C ATOM 457 O TYR A 34 8.498 10.768 12.817 1.00 0.00 O ATOM 458 CB TYR A 34 10.876 8.589 12.796 1.00 0.00 C ATOM 459 CG TYR A 34 11.664 7.710 13.742 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.949 8.129 15.035 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.123 6.462 13.341 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.668 7.330 15.903 1.00 0.00 C ATOM 463 CE2 TYR A 34 12.842 5.655 14.202 1.00 0.00 C ATOM 464 CZ TYR A 34 13.112 6.094 15.482 1.00 0.00 C ATOM 465 OH TYR A 34 13.829 5.294 16.342 1.00 0.00 O ATOM 0 H TYR A 34 9.527 6.614 12.206 1.00 0.00 H new ATOM 0 HA TYR A 34 9.162 8.654 14.090 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.089 8.287 11.771 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.216 9.619 12.903 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.603 9.096 15.368 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.914 6.116 12.339 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.881 7.671 16.905 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.191 4.686 13.875 1.00 0.00 H new ATOM 0 HH TYR A 34 14.065 4.457 15.890 1.00 0.00 H new ATOM 475 N GLY A 35 8.317 9.420 11.025 1.00 0.00 N ATOM 476 CA GLY A 35 7.662 10.434 10.220 1.00 0.00 C ATOM 477 C GLY A 35 8.173 10.461 8.793 1.00 0.00 C ATOM 478 O GLY A 35 9.280 10.000 8.513 1.00 0.00 O ATOM 0 H GLY A 35 8.460 8.526 10.555 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.587 10.251 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.816 11.412 10.677 1.00 0.00 H new ATOM 482 N VAL A 36 7.364 11.001 7.887 1.00 0.00 N ATOM 483 CA VAL A 36 7.740 11.086 6.481 1.00 0.00 C ATOM 484 C VAL A 36 7.768 12.534 6.006 1.00 0.00 C ATOM 485 O VAL A 36 7.035 13.390 6.501 1.00 0.00 O ATOM 486 CB VAL A 36 6.772 10.284 5.591 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.742 8.823 6.016 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.377 10.890 5.641 1.00 0.00 C ATOM 0 H VAL A 36 6.444 11.386 8.102 1.00 0.00 H new ATOM 0 HA VAL A 36 8.739 10.659 6.395 1.00 0.00 H new ATOM 0 HB VAL A 36 7.128 10.332 4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.053 8.272 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.741 8.397 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.411 8.752 7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.706 10.311 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.010 10.874 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.415 11.920 5.285 1.00 0.00 H new ATOM 498 N PRO A 37 8.634 12.817 5.021 1.00 0.00 N ATOM 499 CA PRO A 37 8.778 14.162 4.456 1.00 0.00 C ATOM 500 C PRO A 37 7.560 14.581 3.639 1.00 0.00 C ATOM 501 O PRO A 37 7.260 13.984 2.605 1.00 0.00 O ATOM 502 CB PRO A 37 10.009 14.039 3.556 1.00 0.00 C ATOM 503 CG PRO A 37 10.071 12.595 3.193 1.00 0.00 C ATOM 504 CD PRO A 37 9.539 11.846 4.384 1.00 0.00 C ATOM 0 HA PRO A 37 8.875 14.922 5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.915 14.666 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.913 14.355 4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.474 12.390 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.094 12.293 2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.011 10.940 4.086 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.340 11.541 5.058 1.00 0.00 H new ATOM 512 N ALA A 38 6.863 15.610 4.109 1.00 0.00 N ATOM 513 CA ALA A 38 5.679 16.109 3.419 1.00 0.00 C ATOM 514 C ALA A 38 6.024 16.587 2.013 1.00 0.00 C ATOM 515 O ALA A 38 7.191 16.813 1.692 1.00 0.00 O ATOM 516 CB ALA A 38 5.038 17.234 4.219 1.00 0.00 C ATOM 0 H ALA A 38 7.097 16.114 4.964 1.00 0.00 H new ATOM 0 HA ALA A 38 4.967 15.289 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.155 17.597 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.747 16.862 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.752 18.049 4.336 1.00 0.00 H new ATOM 522 N SER A 39 5.002 16.739 1.177 1.00 0.00 N ATOM 523 CA SER A 39 5.197 17.186 -0.197 1.00 0.00 C ATOM 524 C SER A 39 6.423 16.520 -0.815 1.00 0.00 C ATOM 525 O SER A 39 7.217 17.167 -1.499 1.00 0.00 O ATOM 526 CB SER A 39 5.352 18.707 -0.244 1.00 0.00 C ATOM 527 OG SER A 39 5.209 19.194 -1.567 1.00 0.00 O ATOM 0 H SER A 39 4.030 16.559 1.428 1.00 0.00 H new ATOM 0 HA SER A 39 4.318 16.899 -0.775 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.606 19.172 0.400 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.330 18.988 0.147 1.00 0.00 H new ATOM 0 HG SER A 39 5.887 18.783 -2.142 1.00 0.00 H new ATOM 533 N LEU A 40 6.569 15.222 -0.571 1.00 0.00 N ATOM 534 CA LEU A 40 7.698 14.466 -1.103 1.00 0.00 C ATOM 535 C LEU A 40 7.273 13.053 -1.489 1.00 0.00 C ATOM 536 O LEU A 40 6.730 12.300 -0.681 1.00 0.00 O ATOM 537 CB LEU A 40 8.829 14.409 -0.075 1.00 0.00 C ATOM 538 CG LEU A 40 10.248 14.353 -0.641 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.459 13.070 -1.429 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.522 15.569 -1.514 1.00 0.00 C ATOM 0 H LEU A 40 5.920 14.671 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 40 8.055 14.975 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.751 15.284 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.676 13.533 0.556 1.00 0.00 H new ATOM 0 HG LEU A 40 10.951 14.362 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.475 13.048 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.306 12.212 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.748 13.029 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.537 15.513 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.812 15.591 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.414 16.476 -0.919 1.00 0.00 H new ATOM 552 N PRO A 41 7.527 12.683 -2.753 1.00 0.00 N ATOM 553 CA PRO A 41 7.182 11.357 -3.274 1.00 0.00 C ATOM 554 C PRO A 41 8.047 10.254 -2.673 1.00 0.00 C ATOM 555 O PRO A 41 9.170 10.020 -3.120 1.00 0.00 O ATOM 556 CB PRO A 41 7.447 11.486 -4.776 1.00 0.00 C ATOM 557 CG PRO A 41 8.464 12.568 -4.889 1.00 0.00 C ATOM 558 CD PRO A 41 8.172 13.529 -3.770 1.00 0.00 C ATOM 0 HA PRO A 41 6.157 11.078 -3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.817 10.550 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.536 11.740 -5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.473 12.165 -4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.399 13.065 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.083 13.991 -3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.517 14.337 -4.095 1.00 0.00 H new ATOM 566 N VAL A 42 7.517 9.580 -1.657 1.00 0.00 N ATOM 567 CA VAL A 42 8.241 8.501 -0.996 1.00 0.00 C ATOM 568 C VAL A 42 7.656 7.141 -1.362 1.00 0.00 C ATOM 569 O VAL A 42 6.455 7.014 -1.598 1.00 0.00 O ATOM 570 CB VAL A 42 8.214 8.663 0.536 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.783 8.640 1.050 1.00 0.00 C ATOM 572 CG2 VAL A 42 9.045 7.576 1.201 1.00 0.00 C ATOM 0 H VAL A 42 6.589 9.762 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 42 9.273 8.554 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 42 8.651 9.629 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.784 8.756 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.221 9.457 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.317 7.690 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.015 7.706 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.640 6.598 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.077 7.644 0.856 1.00 0.00 H new ATOM 582 N ASP A 43 8.514 6.128 -1.408 1.00 0.00 N ATOM 583 CA ASP A 43 8.082 4.776 -1.745 1.00 0.00 C ATOM 584 C ASP A 43 8.757 3.749 -0.841 1.00 0.00 C ATOM 585 O ASP A 43 9.945 3.860 -0.537 1.00 0.00 O ATOM 586 CB ASP A 43 8.394 4.468 -3.210 1.00 0.00 C ATOM 587 CG ASP A 43 9.877 4.545 -3.514 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.360 5.650 -3.840 1.00 0.00 O ATOM 589 OD2 ASP A 43 10.556 3.500 -3.426 1.00 0.00 O ATOM 0 H ASP A 43 9.512 6.217 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 43 7.005 4.716 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.027 3.471 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.858 5.171 -3.848 1.00 0.00 H new ATOM 594 N PHE A 44 7.992 2.750 -0.414 1.00 0.00 N ATOM 595 CA PHE A 44 8.516 1.704 0.457 1.00 0.00 C ATOM 596 C PHE A 44 8.679 0.393 -0.305 1.00 0.00 C ATOM 597 O PHE A 44 8.449 0.332 -1.513 1.00 0.00 O ATOM 598 CB PHE A 44 7.589 1.498 1.657 1.00 0.00 C ATOM 599 CG PHE A 44 6.133 1.461 1.289 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.421 2.636 1.107 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.476 0.252 1.127 1.00 0.00 C ATOM 602 CE1 PHE A 44 4.081 2.606 0.768 1.00 0.00 C ATOM 603 CE2 PHE A 44 4.136 0.216 0.789 1.00 0.00 C ATOM 604 CZ PHE A 44 3.438 1.394 0.610 1.00 0.00 C ATOM 0 H PHE A 44 7.007 2.643 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 44 9.496 2.020 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.854 0.565 2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.754 2.301 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.919 3.586 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.017 -0.672 1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.538 3.529 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.635 -0.733 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.391 1.368 0.347 1.00 0.00 H new ATOM 614 N ALA A 45 9.077 -0.655 0.409 1.00 0.00 N ATOM 615 CA ALA A 45 9.270 -1.965 -0.199 1.00 0.00 C ATOM 616 C ALA A 45 8.542 -3.049 0.590 1.00 0.00 C ATOM 617 O ALA A 45 8.648 -3.114 1.815 1.00 0.00 O ATOM 618 CB ALA A 45 10.753 -2.289 -0.297 1.00 0.00 C ATOM 0 H ALA A 45 9.272 -0.622 1.410 1.00 0.00 H new ATOM 0 HA ALA A 45 8.848 -1.937 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.882 -3.271 -0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.250 -1.536 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.191 -2.292 0.701 1.00 0.00 H new ATOM 624 N ILE A 46 7.803 -3.895 -0.119 1.00 0.00 N ATOM 625 CA ILE A 46 7.059 -4.975 0.516 1.00 0.00 C ATOM 626 C ILE A 46 7.702 -6.328 0.231 1.00 0.00 C ATOM 627 O ILE A 46 7.668 -6.818 -0.898 1.00 0.00 O ATOM 628 CB ILE A 46 5.594 -5.005 0.039 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.920 -3.659 0.309 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.836 -6.131 0.727 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.666 -3.436 -0.508 1.00 0.00 C ATOM 0 H ILE A 46 7.704 -3.853 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 46 7.080 -4.784 1.589 1.00 0.00 H new ATOM 0 HB ILE A 46 5.580 -5.188 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.670 -3.593 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.629 -2.858 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.803 -6.139 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.307 -7.085 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.855 -5.976 1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.242 -2.462 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.912 -3.470 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.939 -4.216 -0.279 1.00 0.00 H new ATOM 643 N ASP A 47 8.286 -6.928 1.262 1.00 0.00 N ATOM 644 CA ASP A 47 8.935 -8.227 1.124 1.00 0.00 C ATOM 645 C ASP A 47 8.104 -9.323 1.784 1.00 0.00 C ATOM 646 O ASP A 47 7.837 -9.274 2.984 1.00 0.00 O ATOM 647 CB ASP A 47 10.335 -8.190 1.739 1.00 0.00 C ATOM 648 CG ASP A 47 11.067 -6.897 1.436 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.247 -6.584 0.240 1.00 0.00 O ATOM 650 OD2 ASP A 47 11.459 -6.198 2.393 1.00 0.00 O ATOM 0 H ASP A 47 8.324 -6.536 2.203 1.00 0.00 H new ATOM 0 HA ASP A 47 9.020 -8.452 0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.258 -8.316 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.917 -9.031 1.361 1.00 0.00 H new ATOM 655 N ALA A 48 7.699 -10.309 0.992 1.00 0.00 N ATOM 656 CA ALA A 48 6.899 -11.417 1.499 1.00 0.00 C ATOM 657 C ALA A 48 7.713 -12.706 1.546 1.00 0.00 C ATOM 658 O ALA A 48 8.291 -13.122 0.542 1.00 0.00 O ATOM 659 CB ALA A 48 5.656 -11.607 0.643 1.00 0.00 C ATOM 0 H ALA A 48 7.912 -10.364 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 48 6.592 -11.174 2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.069 -12.438 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.057 -10.697 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.951 -11.823 -0.384 1.00 0.00 H new ATOM 665 N ARG A 49 7.755 -13.332 2.717 1.00 0.00 N ATOM 666 CA ARG A 49 8.501 -14.572 2.894 1.00 0.00 C ATOM 667 C ARG A 49 7.589 -15.784 2.721 1.00 0.00 C ATOM 668 O ARG A 49 7.855 -16.661 1.900 1.00 0.00 O ATOM 669 CB ARG A 49 9.155 -14.606 4.276 1.00 0.00 C ATOM 670 CG ARG A 49 10.360 -13.688 4.403 1.00 0.00 C ATOM 671 CD ARG A 49 10.691 -13.401 5.858 1.00 0.00 C ATOM 672 NE ARG A 49 11.336 -12.101 6.027 1.00 0.00 N ATOM 673 CZ ARG A 49 12.116 -11.796 7.058 1.00 0.00 C ATOM 674 NH1 ARG A 49 12.346 -12.692 8.007 1.00 0.00 N ATOM 675 NH2 ARG A 49 12.668 -10.592 7.140 1.00 0.00 N ATOM 0 H ARG A 49 7.281 -13.001 3.558 1.00 0.00 H new ATOM 0 HA ARG A 49 9.278 -14.611 2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.415 -14.326 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.463 -15.628 4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.221 -14.147 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.161 -12.751 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.777 -13.432 6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.346 -14.183 6.242 1.00 0.00 H new ATOM 0 HE ARG A 49 11.179 -11.389 5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.924 -13.619 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.945 -12.455 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.493 -9.900 6.411 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.267 -10.358 7.932 1.00 0.00 H new ATOM 689 N ASP A 50 6.514 -15.825 3.501 1.00 0.00 N ATOM 690 CA ASP A 50 5.563 -16.928 3.434 1.00 0.00 C ATOM 691 C ASP A 50 4.162 -16.419 3.110 1.00 0.00 C ATOM 692 O ASP A 50 3.165 -16.989 3.553 1.00 0.00 O ATOM 693 CB ASP A 50 5.546 -17.696 4.757 1.00 0.00 C ATOM 694 CG ASP A 50 6.730 -18.632 4.897 1.00 0.00 C ATOM 695 OD1 ASP A 50 6.867 -19.547 4.058 1.00 0.00 O ATOM 696 OD2 ASP A 50 7.521 -18.450 5.846 1.00 0.00 O ATOM 0 H ASP A 50 6.280 -15.107 4.187 1.00 0.00 H new ATOM 0 HA ASP A 50 5.880 -17.600 2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.547 -16.987 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.622 -18.270 4.829 1.00 0.00 H new ATOM 701 N ALA A 51 4.094 -15.341 2.334 1.00 0.00 N ATOM 702 CA ALA A 51 2.816 -14.756 1.950 1.00 0.00 C ATOM 703 C ALA A 51 2.343 -15.302 0.607 1.00 0.00 C ATOM 704 O ALA A 51 1.156 -15.255 0.290 1.00 0.00 O ATOM 705 CB ALA A 51 2.925 -13.239 1.896 1.00 0.00 C ATOM 0 H ALA A 51 4.909 -14.856 1.960 1.00 0.00 H new ATOM 0 HA ALA A 51 2.078 -15.030 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.963 -12.815 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.209 -12.859 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.681 -12.954 1.164 1.00 0.00 H new ATOM 711 N GLY A 52 3.282 -15.820 -0.179 1.00 0.00 N ATOM 712 CA GLY A 52 2.941 -16.368 -1.479 1.00 0.00 C ATOM 713 C GLY A 52 2.488 -15.301 -2.457 1.00 0.00 C ATOM 714 O GLY A 52 3.050 -14.207 -2.495 1.00 0.00 O ATOM 0 H GLY A 52 4.272 -15.870 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.807 -16.888 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.150 -17.109 -1.362 1.00 0.00 H new ATOM 718 N GLU A 53 1.470 -15.621 -3.249 1.00 0.00 N ATOM 719 CA GLU A 53 0.944 -14.682 -4.233 1.00 0.00 C ATOM 720 C GLU A 53 -0.535 -14.402 -3.982 1.00 0.00 C ATOM 721 O GLU A 53 -1.320 -15.319 -3.744 1.00 0.00 O ATOM 722 CB GLU A 53 1.137 -15.230 -5.648 1.00 0.00 C ATOM 723 CG GLU A 53 0.344 -16.497 -5.924 1.00 0.00 C ATOM 724 CD GLU A 53 0.994 -17.375 -6.976 1.00 0.00 C ATOM 725 OE1 GLU A 53 0.737 -17.151 -8.177 1.00 0.00 O ATOM 726 OE2 GLU A 53 1.760 -18.285 -6.597 1.00 0.00 O ATOM 0 H GLU A 53 0.993 -16.522 -3.229 1.00 0.00 H new ATOM 0 HA GLU A 53 1.495 -13.747 -4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.845 -14.465 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.196 -15.432 -5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.238 -17.063 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.661 -16.228 -6.251 1.00 0.00 H new ATOM 733 N GLY A 54 -0.907 -13.127 -4.035 1.00 0.00 N ATOM 734 CA GLY A 54 -2.290 -12.747 -3.810 1.00 0.00 C ATOM 735 C GLY A 54 -2.592 -11.344 -4.296 1.00 0.00 C ATOM 736 O GLY A 54 -1.686 -10.526 -4.458 1.00 0.00 O ATOM 0 H GLY A 54 -0.276 -12.350 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.945 -13.454 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.514 -12.815 -2.745 1.00 0.00 H new ATOM 740 N LEU A 55 -3.870 -11.063 -4.531 1.00 0.00 N ATOM 741 CA LEU A 55 -4.290 -9.748 -5.003 1.00 0.00 C ATOM 742 C LEU A 55 -3.884 -8.660 -4.014 1.00 0.00 C ATOM 743 O LEU A 55 -4.477 -8.526 -2.943 1.00 0.00 O ATOM 744 CB LEU A 55 -5.804 -9.721 -5.215 1.00 0.00 C ATOM 745 CG LEU A 55 -6.313 -8.769 -6.299 1.00 0.00 C ATOM 746 CD1 LEU A 55 -6.073 -9.357 -7.681 1.00 0.00 C ATOM 747 CD2 LEU A 55 -7.790 -8.469 -6.095 1.00 0.00 C ATOM 0 H LEU A 55 -4.633 -11.728 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.793 -9.554 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.134 -10.730 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.278 -9.452 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.759 -7.833 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.441 -8.666 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.005 -9.520 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.600 -10.307 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.135 -7.790 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.360 -9.397 -6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.936 -8.004 -5.120 1.00 0.00 H new ATOM 759 N LEU A 56 -2.871 -7.883 -4.381 1.00 0.00 N ATOM 760 CA LEU A 56 -2.386 -6.803 -3.528 1.00 0.00 C ATOM 761 C LEU A 56 -3.060 -5.482 -3.886 1.00 0.00 C ATOM 762 O LEU A 56 -3.276 -5.182 -5.059 1.00 0.00 O ATOM 763 CB LEU A 56 -0.868 -6.666 -3.657 1.00 0.00 C ATOM 764 CG LEU A 56 -0.221 -5.560 -2.824 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.120 -6.070 -1.432 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.024 -5.028 -3.519 1.00 0.00 C ATOM 0 H LEU A 56 -2.369 -7.981 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.635 -7.049 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.413 -7.616 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.627 -6.492 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.935 -4.742 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.580 -5.269 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.790 -6.402 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.815 -6.906 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.472 -4.241 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.742 -5.838 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.752 -4.623 -4.494 1.00 0.00 H new ATOM 778 N ALA A 57 -3.387 -4.695 -2.866 1.00 0.00 N ATOM 779 CA ALA A 57 -4.032 -3.404 -3.073 1.00 0.00 C ATOM 780 C ALA A 57 -3.500 -2.362 -2.095 1.00 0.00 C ATOM 781 O ALA A 57 -3.020 -2.699 -1.013 1.00 0.00 O ATOM 782 CB ALA A 57 -5.541 -3.540 -2.934 1.00 0.00 C ATOM 0 H ALA A 57 -3.216 -4.929 -1.888 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.800 -3.067 -4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.010 -2.569 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.913 -4.246 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.783 -3.903 -1.935 1.00 0.00 H new ATOM 788 N VAL A 58 -3.587 -1.094 -2.484 1.00 0.00 N ATOM 789 CA VAL A 58 -3.115 -0.002 -1.641 1.00 0.00 C ATOM 790 C VAL A 58 -4.240 0.980 -1.333 1.00 0.00 C ATOM 791 O VAL A 58 -4.859 1.534 -2.241 1.00 0.00 O ATOM 792 CB VAL A 58 -1.953 0.759 -2.307 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.511 1.926 -1.437 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.790 -0.182 -2.582 1.00 0.00 C ATOM 0 H VAL A 58 -3.980 -0.798 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.762 -0.449 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.301 1.159 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.689 2.452 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.347 2.611 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.180 1.552 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.022 0.372 -3.053 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.440 -0.612 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.118 -0.981 -3.247 1.00 0.00 H new ATOM 804 N GLN A 59 -4.497 1.192 -0.046 1.00 0.00 N ATOM 805 CA GLN A 59 -5.548 2.107 0.381 1.00 0.00 C ATOM 806 C GLN A 59 -4.997 3.161 1.336 1.00 0.00 C ATOM 807 O GLN A 59 -4.590 2.848 2.455 1.00 0.00 O ATOM 808 CB GLN A 59 -6.683 1.335 1.057 1.00 0.00 C ATOM 809 CG GLN A 59 -7.961 2.144 1.212 1.00 0.00 C ATOM 810 CD GLN A 59 -8.637 2.428 -0.115 1.00 0.00 C ATOM 811 OE1 GLN A 59 -8.043 3.028 -1.011 1.00 0.00 O ATOM 812 NE2 GLN A 59 -9.886 1.998 -0.247 1.00 0.00 N ATOM 0 H GLN A 59 -3.992 0.743 0.718 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.937 2.611 -0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.898 0.439 0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.351 1.004 2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.652 1.604 1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.731 3.087 1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.340 1.505 0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.392 2.161 -1.118 1.00 0.00 H new ATOM 821 N ILE A 60 -4.985 4.412 0.885 1.00 0.00 N ATOM 822 CA ILE A 60 -4.484 5.512 1.700 1.00 0.00 C ATOM 823 C ILE A 60 -5.588 6.518 2.004 1.00 0.00 C ATOM 824 O ILE A 60 -6.422 6.820 1.150 1.00 0.00 O ATOM 825 CB ILE A 60 -3.318 6.240 1.006 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.175 5.264 0.721 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.831 7.398 1.864 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.099 5.838 -0.174 1.00 0.00 C ATOM 0 H ILE A 60 -5.316 4.688 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.126 5.077 2.633 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.673 6.641 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.725 4.958 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.582 4.366 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.007 7.903 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.647 8.103 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.490 7.019 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.321 5.091 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.535 6.118 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.665 6.719 0.298 1.00 0.00 H new ATOM 840 N THR A 61 -5.588 7.036 3.229 1.00 0.00 N ATOM 841 CA THR A 61 -6.589 8.009 3.647 1.00 0.00 C ATOM 842 C THR A 61 -5.956 9.137 4.454 1.00 0.00 C ATOM 843 O THR A 61 -4.779 9.075 4.808 1.00 0.00 O ATOM 844 CB THR A 61 -7.697 7.349 4.490 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.117 6.463 5.453 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.665 6.580 3.604 1.00 0.00 C ATOM 0 H THR A 61 -4.906 6.797 3.949 1.00 0.00 H new ATOM 0 HA THR A 61 -7.030 8.419 2.738 1.00 0.00 H new ATOM 0 HB THR A 61 -8.248 8.135 5.006 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.827 6.049 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.438 6.123 4.221 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.127 7.263 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.125 5.802 3.064 1.00 0.00 H new ATOM 854 N ASP A 62 -6.745 10.167 4.741 1.00 0.00 N ATOM 855 CA ASP A 62 -6.261 11.309 5.509 1.00 0.00 C ATOM 856 C ASP A 62 -6.896 11.340 6.896 1.00 0.00 C ATOM 857 O ASP A 62 -7.632 10.428 7.271 1.00 0.00 O ATOM 858 CB ASP A 62 -6.562 12.613 4.768 1.00 0.00 C ATOM 859 CG ASP A 62 -7.911 13.194 5.143 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.927 12.484 4.993 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.950 14.360 5.589 1.00 0.00 O ATOM 0 H ASP A 62 -7.721 10.235 4.454 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.182 11.206 5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.782 13.341 4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.534 12.432 3.694 1.00 0.00 H new ATOM 866 N GLN A 63 -6.605 12.394 7.651 1.00 0.00 N ATOM 867 CA GLN A 63 -7.147 12.542 8.997 1.00 0.00 C ATOM 868 C GLN A 63 -8.666 12.415 8.989 1.00 0.00 C ATOM 869 O GLN A 63 -9.255 11.843 9.906 1.00 0.00 O ATOM 870 CB GLN A 63 -6.738 13.892 9.588 1.00 0.00 C ATOM 871 CG GLN A 63 -7.374 15.081 8.885 1.00 0.00 C ATOM 872 CD GLN A 63 -6.851 16.409 9.397 1.00 0.00 C ATOM 873 OE1 GLN A 63 -7.316 16.920 10.417 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.880 16.975 8.691 1.00 0.00 N ATOM 0 H GLN A 63 -5.997 13.158 7.354 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.738 11.744 9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.011 13.915 10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.653 13.988 9.537 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.185 15.009 7.814 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.455 15.043 9.021 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.525 16.516 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.489 17.869 8.987 1.00 0.00 H new ATOM 883 N GLU A 64 -9.295 12.953 7.948 1.00 0.00 N ATOM 884 CA GLU A 64 -10.747 12.900 7.823 1.00 0.00 C ATOM 885 C GLU A 64 -11.197 11.552 7.268 1.00 0.00 C ATOM 886 O GLU A 64 -12.320 11.112 7.510 1.00 0.00 O ATOM 887 CB GLU A 64 -11.244 14.029 6.917 1.00 0.00 C ATOM 888 CG GLU A 64 -12.754 14.054 6.750 1.00 0.00 C ATOM 889 CD GLU A 64 -13.482 14.293 8.058 1.00 0.00 C ATOM 890 OE1 GLU A 64 -13.382 13.433 8.958 1.00 0.00 O ATOM 891 OE2 GLU A 64 -14.152 15.339 8.182 1.00 0.00 O ATOM 0 H GLU A 64 -8.822 13.430 7.180 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.177 13.025 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.916 14.984 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.780 13.928 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.024 14.836 6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.084 13.107 6.323 1.00 0.00 H new ATOM 898 N GLY A 65 -10.310 10.900 6.521 1.00 0.00 N ATOM 899 CA GLY A 65 -10.634 9.609 5.943 1.00 0.00 C ATOM 900 C GLY A 65 -11.069 9.716 4.495 1.00 0.00 C ATOM 901 O GLY A 65 -12.006 9.040 4.068 1.00 0.00 O ATOM 0 H GLY A 65 -9.374 11.243 6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.764 8.955 6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.429 9.143 6.525 1.00 0.00 H new ATOM 905 N LYS A 66 -10.390 10.568 3.735 1.00 0.00 N ATOM 906 CA LYS A 66 -10.711 10.763 2.326 1.00 0.00 C ATOM 907 C LYS A 66 -9.806 9.912 1.440 1.00 0.00 C ATOM 908 O LYS A 66 -8.702 9.529 1.826 1.00 0.00 O ATOM 909 CB LYS A 66 -10.571 12.239 1.949 1.00 0.00 C ATOM 910 CG LYS A 66 -11.713 13.106 2.450 1.00 0.00 C ATOM 911 CD LYS A 66 -12.956 12.941 1.591 1.00 0.00 C ATOM 912 CE LYS A 66 -14.054 13.908 2.007 1.00 0.00 C ATOM 913 NZ LYS A 66 -14.683 13.511 3.297 1.00 0.00 N ATOM 0 H LYS A 66 -9.612 11.136 4.072 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.743 10.451 2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.633 12.621 2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.510 12.324 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.945 12.843 3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.405 14.152 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.701 13.107 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -13.322 11.917 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.638 14.911 2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.816 13.949 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.426 14.195 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.102 12.564 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.961 13.497 4.045 1.00 0.00 H new ATOM 927 N PRO A 67 -10.283 9.611 0.223 1.00 0.00 N ATOM 928 CA PRO A 67 -9.531 8.805 -0.744 1.00 0.00 C ATOM 929 C PRO A 67 -8.317 9.544 -1.295 1.00 0.00 C ATOM 930 O PRO A 67 -8.429 10.670 -1.780 1.00 0.00 O ATOM 931 CB PRO A 67 -10.550 8.546 -1.857 1.00 0.00 C ATOM 932 CG PRO A 67 -11.511 9.680 -1.762 1.00 0.00 C ATOM 933 CD PRO A 67 -11.591 10.034 -0.303 1.00 0.00 C ATOM 0 HA PRO A 67 -9.130 7.897 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.069 8.515 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.052 7.589 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.170 10.531 -2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.490 9.396 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.757 11.101 -0.157 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.411 9.514 0.192 1.00 0.00 H new ATOM 941 N LYS A 68 -7.155 8.903 -1.217 1.00 0.00 N ATOM 942 CA LYS A 68 -5.918 9.498 -1.710 1.00 0.00 C ATOM 943 C LYS A 68 -5.351 8.690 -2.873 1.00 0.00 C ATOM 944 O LYS A 68 -5.397 7.460 -2.867 1.00 0.00 O ATOM 945 CB LYS A 68 -4.886 9.584 -0.583 1.00 0.00 C ATOM 946 CG LYS A 68 -5.248 10.587 0.498 1.00 0.00 C ATOM 947 CD LYS A 68 -5.112 12.017 0.001 1.00 0.00 C ATOM 948 CE LYS A 68 -3.653 12.410 -0.173 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.489 13.882 -0.325 1.00 0.00 N ATOM 0 H LYS A 68 -7.044 7.971 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.144 10.503 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.772 8.599 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.919 9.853 -1.007 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.271 10.412 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.603 10.439 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.635 12.124 -0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.591 12.696 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.080 12.068 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.243 11.907 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.481 14.109 -0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.015 14.205 -1.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.856 14.361 0.522 1.00 0.00 H new ATOM 963 N ARG A 69 -4.816 9.390 -3.868 1.00 0.00 N ATOM 964 CA ARG A 69 -4.239 8.737 -5.037 1.00 0.00 C ATOM 965 C ARG A 69 -2.866 8.156 -4.713 1.00 0.00 C ATOM 966 O ARG A 69 -2.021 8.827 -4.122 1.00 0.00 O ATOM 967 CB ARG A 69 -4.125 9.728 -6.197 1.00 0.00 C ATOM 968 CG ARG A 69 -3.431 9.155 -7.422 1.00 0.00 C ATOM 969 CD ARG A 69 -3.674 10.014 -8.652 1.00 0.00 C ATOM 970 NE ARG A 69 -5.050 9.909 -9.130 1.00 0.00 N ATOM 971 CZ ARG A 69 -5.458 10.374 -10.306 1.00 0.00 C ATOM 972 NH1 ARG A 69 -4.599 10.973 -11.119 1.00 0.00 N ATOM 973 NH2 ARG A 69 -6.727 10.241 -10.670 1.00 0.00 N ATOM 0 H ARG A 69 -4.770 10.409 -3.888 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.900 7.921 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.124 10.061 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.579 10.609 -5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.360 9.082 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.792 8.143 -7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.450 11.055 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.991 9.712 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.736 9.454 -8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.623 11.078 -10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.914 11.329 -12.021 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.391 9.781 -10.047 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.039 10.598 -11.573 1.00 0.00 H new ATOM 987 N ALA A 70 -2.651 6.904 -5.105 1.00 0.00 N ATOM 988 CA ALA A 70 -1.381 6.233 -4.858 1.00 0.00 C ATOM 989 C ALA A 70 -0.889 5.512 -6.109 1.00 0.00 C ATOM 990 O ALA A 70 -1.687 5.051 -6.925 1.00 0.00 O ATOM 991 CB ALA A 70 -1.517 5.254 -3.701 1.00 0.00 C ATOM 0 H ALA A 70 -3.341 6.334 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.643 6.991 -4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.561 4.760 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.815 5.793 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.273 4.507 -3.944 1.00 0.00 H new ATOM 997 N ILE A 71 0.429 5.419 -6.252 1.00 0.00 N ATOM 998 CA ILE A 71 1.026 4.753 -7.403 1.00 0.00 C ATOM 999 C ILE A 71 1.312 3.286 -7.103 1.00 0.00 C ATOM 1000 O ILE A 71 1.592 2.918 -5.962 1.00 0.00 O ATOM 1001 CB ILE A 71 2.334 5.442 -7.836 1.00 0.00 C ATOM 1002 CG1 ILE A 71 2.072 6.908 -8.188 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.952 4.710 -9.017 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.303 7.781 -8.092 1.00 0.00 C ATOM 0 H ILE A 71 1.103 5.796 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 71 0.303 4.820 -8.216 1.00 0.00 H new ATOM 0 HB ILE A 71 3.038 5.408 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.674 6.965 -9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.304 7.302 -7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.875 5.209 -9.311 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.170 3.680 -8.733 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.254 4.715 -9.854 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.043 8.806 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.689 7.755 -7.073 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.065 7.412 -8.779 1.00 0.00 H new ATOM 1016 N VAL A 72 1.242 2.451 -8.135 1.00 0.00 N ATOM 1017 CA VAL A 72 1.496 1.024 -7.982 1.00 0.00 C ATOM 1018 C VAL A 72 2.590 0.556 -8.935 1.00 0.00 C ATOM 1019 O VAL A 72 2.501 0.756 -10.147 1.00 0.00 O ATOM 1020 CB VAL A 72 0.222 0.196 -8.235 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.251 0.369 -9.670 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.469 -1.271 -7.919 1.00 0.00 C ATOM 0 H VAL A 72 1.011 2.739 -9.086 1.00 0.00 H new ATOM 0 HA VAL A 72 1.822 0.869 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.564 0.559 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.152 -0.223 -9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.470 1.420 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.529 0.034 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.441 -1.841 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.270 -1.650 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.756 -1.374 -6.873 1.00 0.00 H new ATOM 1032 N HIS A 73 3.624 -0.070 -8.380 1.00 0.00 N ATOM 1033 CA HIS A 73 4.736 -0.568 -9.181 1.00 0.00 C ATOM 1034 C HIS A 73 4.824 -2.089 -9.102 1.00 0.00 C ATOM 1035 O HIS A 73 4.696 -2.673 -8.025 1.00 0.00 O ATOM 1036 CB HIS A 73 6.050 0.056 -8.711 1.00 0.00 C ATOM 1037 CG HIS A 73 6.387 1.339 -9.405 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.060 1.390 -10.608 1.00 0.00 N ATOM 1039 CD2 HIS A 73 6.137 2.624 -9.061 1.00 0.00 C ATOM 1040 CE1 HIS A 73 7.212 2.651 -10.972 1.00 0.00 C ATOM 1041 NE2 HIS A 73 6.659 3.420 -10.051 1.00 0.00 N ATOM 0 H HIS A 73 3.714 -0.244 -7.379 1.00 0.00 H new ATOM 0 HA HIS A 73 4.559 -0.286 -10.219 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.993 0.238 -7.638 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.859 -0.657 -8.871 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.623 2.961 -8.173 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.704 2.995 -11.870 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.625 4.439 -10.072 1.00 0.00 H new ATOM 1049 N ASP A 74 5.042 -2.725 -10.248 1.00 0.00 N ATOM 1050 CA ASP A 74 5.147 -4.178 -10.308 1.00 0.00 C ATOM 1051 C ASP A 74 6.574 -4.606 -10.636 1.00 0.00 C ATOM 1052 O ASP A 74 7.124 -4.229 -11.670 1.00 0.00 O ATOM 1053 CB ASP A 74 4.181 -4.738 -11.353 1.00 0.00 C ATOM 1054 CG ASP A 74 4.397 -4.131 -12.725 1.00 0.00 C ATOM 1055 OD1 ASP A 74 5.288 -4.615 -13.454 1.00 0.00 O ATOM 1056 OD2 ASP A 74 3.675 -3.172 -13.070 1.00 0.00 O ATOM 0 H ASP A 74 5.149 -2.257 -11.148 1.00 0.00 H new ATOM 0 HA ASP A 74 4.882 -4.578 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.303 -5.819 -11.414 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.156 -4.551 -11.033 1.00 0.00 H new ATOM 1061 N ASN A 75 7.169 -5.396 -9.747 1.00 0.00 N ATOM 1062 CA ASN A 75 8.533 -5.875 -9.942 1.00 0.00 C ATOM 1063 C ASN A 75 8.539 -7.334 -10.388 1.00 0.00 C ATOM 1064 O ASN A 75 9.369 -7.742 -11.201 1.00 0.00 O ATOM 1065 CB ASN A 75 9.338 -5.721 -8.650 1.00 0.00 C ATOM 1066 CG ASN A 75 9.192 -4.342 -8.038 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.455 -3.330 -8.689 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.771 -4.294 -6.779 1.00 0.00 N ATOM 0 H ASN A 75 6.728 -5.718 -8.885 1.00 0.00 H new ATOM 0 HA ASN A 75 8.995 -5.273 -10.725 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.011 -6.471 -7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.391 -5.914 -8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.654 -3.394 -6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.565 -5.158 -6.277 1.00 0.00 H new ATOM 1075 N LYS A 76 7.608 -8.115 -9.851 1.00 0.00 N ATOM 1076 CA LYS A 76 7.503 -9.528 -10.194 1.00 0.00 C ATOM 1077 C LYS A 76 8.740 -10.293 -9.734 1.00 0.00 C ATOM 1078 O LYS A 76 9.198 -11.216 -10.408 1.00 0.00 O ATOM 1079 CB LYS A 76 7.320 -9.695 -11.704 1.00 0.00 C ATOM 1080 CG LYS A 76 6.207 -8.837 -12.280 1.00 0.00 C ATOM 1081 CD LYS A 76 4.837 -9.343 -11.859 1.00 0.00 C ATOM 1082 CE LYS A 76 4.381 -8.699 -10.558 1.00 0.00 C ATOM 1083 NZ LYS A 76 2.898 -8.587 -10.485 1.00 0.00 N ATOM 0 H LYS A 76 6.915 -7.793 -9.176 1.00 0.00 H new ATOM 0 HA LYS A 76 6.633 -9.937 -9.681 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.256 -9.446 -12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.110 -10.742 -11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.333 -7.806 -11.949 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.276 -8.833 -13.368 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.112 -9.131 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.869 -10.426 -11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.743 -9.288 -9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.825 -7.708 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.627 -8.143 -9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.555 -8.004 -11.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.475 -9.535 -10.545 1.00 0.00 H new ATOM 1097 N ASP A 77 9.276 -9.903 -8.583 1.00 0.00 N ATOM 1098 CA ASP A 77 10.459 -10.554 -8.031 1.00 0.00 C ATOM 1099 C ASP A 77 10.255 -10.896 -6.559 1.00 0.00 C ATOM 1100 O ASP A 77 11.205 -10.912 -5.777 1.00 0.00 O ATOM 1101 CB ASP A 77 11.685 -9.654 -8.193 1.00 0.00 C ATOM 1102 CG ASP A 77 12.982 -10.439 -8.210 1.00 0.00 C ATOM 1103 OD1 ASP A 77 12.977 -11.581 -8.716 1.00 0.00 O ATOM 1104 OD2 ASP A 77 14.001 -9.912 -7.717 1.00 0.00 O ATOM 0 H ASP A 77 8.911 -9.140 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 77 10.623 -11.481 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.595 -9.086 -9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.712 -8.931 -7.377 1.00 0.00 H new ATOM 1109 N GLY A 78 9.007 -11.167 -6.187 1.00 0.00 N ATOM 1110 CA GLY A 78 8.701 -11.503 -4.809 1.00 0.00 C ATOM 1111 C GLY A 78 8.605 -10.279 -3.921 1.00 0.00 C ATOM 1112 O GLY A 78 8.766 -10.371 -2.703 1.00 0.00 O ATOM 0 H GLY A 78 8.203 -11.160 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.759 -12.049 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.471 -12.170 -4.421 1.00 0.00 H new ATOM 1116 N THR A 79 8.345 -9.126 -4.530 1.00 0.00 N ATOM 1117 CA THR A 79 8.232 -7.877 -3.787 1.00 0.00 C ATOM 1118 C THR A 79 7.242 -6.929 -4.455 1.00 0.00 C ATOM 1119 O THR A 79 6.709 -7.224 -5.524 1.00 0.00 O ATOM 1120 CB THR A 79 9.596 -7.173 -3.661 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.201 -7.044 -4.952 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.522 -7.948 -2.736 1.00 0.00 C ATOM 0 H THR A 79 8.209 -9.032 -5.536 1.00 0.00 H new ATOM 0 HA THR A 79 7.871 -8.132 -2.791 1.00 0.00 H new ATOM 0 HB THR A 79 9.431 -6.183 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.067 -6.594 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.479 -7.431 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.071 -8.019 -1.746 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.680 -8.950 -3.135 1.00 0.00 H new ATOM 1130 N TYR A 80 7.002 -5.788 -3.817 1.00 0.00 N ATOM 1131 CA TYR A 80 6.074 -4.797 -4.349 1.00 0.00 C ATOM 1132 C TYR A 80 6.455 -3.393 -3.888 1.00 0.00 C ATOM 1133 O TYR A 80 6.784 -3.178 -2.722 1.00 0.00 O ATOM 1134 CB TYR A 80 4.644 -5.119 -3.911 1.00 0.00 C ATOM 1135 CG TYR A 80 4.145 -6.456 -4.409 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.599 -6.586 -5.680 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.219 -7.589 -3.608 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.141 -7.806 -6.139 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.765 -8.814 -4.060 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.227 -8.917 -5.325 1.00 0.00 C ATOM 1141 OH TYR A 80 2.772 -10.134 -5.778 1.00 0.00 O ATOM 0 H TYR A 80 7.437 -5.527 -2.932 1.00 0.00 H new ATOM 0 HA TYR A 80 6.130 -4.831 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.595 -5.105 -2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.978 -4.335 -4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.531 -5.719 -6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.638 -7.511 -2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 80 2.718 -7.890 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.831 -9.685 -3.426 1.00 0.00 H new ATOM 0 HH TYR A 80 2.906 -10.812 -5.084 1.00 0.00 H new ATOM 1151 N ALA A 81 6.407 -2.440 -4.814 1.00 0.00 N ATOM 1152 CA ALA A 81 6.744 -1.057 -4.504 1.00 0.00 C ATOM 1153 C ALA A 81 5.519 -0.155 -4.616 1.00 0.00 C ATOM 1154 O ALA A 81 4.672 -0.347 -5.489 1.00 0.00 O ATOM 1155 CB ALA A 81 7.850 -0.564 -5.425 1.00 0.00 C ATOM 0 H ALA A 81 6.138 -2.601 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 81 7.099 -1.018 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.092 0.471 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.737 -1.184 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.515 -0.625 -6.461 1.00 0.00 H new ATOM 1161 N VAL A 82 5.430 0.829 -3.727 1.00 0.00 N ATOM 1162 CA VAL A 82 4.309 1.760 -3.726 1.00 0.00 C ATOM 1163 C VAL A 82 4.771 3.176 -3.400 1.00 0.00 C ATOM 1164 O VAL A 82 5.447 3.406 -2.396 1.00 0.00 O ATOM 1165 CB VAL A 82 3.229 1.338 -2.712 1.00 0.00 C ATOM 1166 CG1 VAL A 82 2.075 2.329 -2.717 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.736 -0.069 -3.014 1.00 0.00 C ATOM 0 H VAL A 82 6.122 1.002 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 82 3.882 1.742 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 82 3.671 1.337 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.322 2.014 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.444 3.319 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.631 2.365 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.973 -0.351 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.310 -0.098 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.570 -0.768 -2.954 1.00 0.00 H new ATOM 1177 N THR A 83 4.401 4.125 -4.255 1.00 0.00 N ATOM 1178 CA THR A 83 4.778 5.519 -4.059 1.00 0.00 C ATOM 1179 C THR A 83 3.570 6.366 -3.670 1.00 0.00 C ATOM 1180 O THR A 83 2.453 6.116 -4.124 1.00 0.00 O ATOM 1181 CB THR A 83 5.419 6.112 -5.327 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.532 5.308 -5.735 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.881 7.541 -5.084 1.00 0.00 C ATOM 0 H THR A 83 3.841 3.953 -5.090 1.00 0.00 H new ATOM 0 HA THR A 83 5.508 5.538 -3.250 1.00 0.00 H new ATOM 0 HB THR A 83 4.668 6.120 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.933 5.691 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.330 7.938 -5.994 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.027 8.157 -4.803 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.618 7.554 -4.281 1.00 0.00 H new ATOM 1191 N TYR A 84 3.802 7.368 -2.830 1.00 0.00 N ATOM 1192 CA TYR A 84 2.732 8.250 -2.379 1.00 0.00 C ATOM 1193 C TYR A 84 3.274 9.637 -2.047 1.00 0.00 C ATOM 1194 O TYR A 84 4.298 9.771 -1.377 1.00 0.00 O ATOM 1195 CB TYR A 84 2.034 7.656 -1.155 1.00 0.00 C ATOM 1196 CG TYR A 84 2.759 7.925 0.145 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.489 9.067 0.889 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.713 7.039 0.628 1.00 0.00 C ATOM 1199 CE1 TYR A 84 3.149 9.318 2.077 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.377 7.280 1.815 1.00 0.00 C ATOM 1201 CZ TYR A 84 4.091 8.421 2.536 1.00 0.00 C ATOM 1202 OH TYR A 84 4.751 8.666 3.718 1.00 0.00 O ATOM 0 H TYR A 84 4.721 7.590 -2.448 1.00 0.00 H new ATOM 0 HA TYR A 84 2.009 8.346 -3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.025 8.063 -1.090 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.935 6.579 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.751 9.770 0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.940 6.145 0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.929 10.211 2.643 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.115 6.580 2.176 1.00 0.00 H new ATOM 0 HH TYR A 84 4.197 8.370 4.470 1.00 0.00 H new ATOM 1212 N ILE A 85 2.578 10.665 -2.520 1.00 0.00 N ATOM 1213 CA ILE A 85 2.987 12.042 -2.273 1.00 0.00 C ATOM 1214 C ILE A 85 2.042 12.729 -1.293 1.00 0.00 C ATOM 1215 O ILE A 85 0.985 13.239 -1.665 1.00 0.00 O ATOM 1216 CB ILE A 85 3.037 12.858 -3.578 1.00 0.00 C ATOM 1217 CG1 ILE A 85 4.072 12.266 -4.536 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.356 14.316 -3.280 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.810 12.596 -5.989 1.00 0.00 C ATOM 0 H ILE A 85 1.728 10.570 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 85 3.987 12.001 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 85 2.058 12.811 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.061 12.633 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.089 11.183 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.388 14.879 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.585 14.732 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.324 14.382 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.583 12.144 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.835 12.205 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.822 13.677 -6.124 1.00 0.00 H new ATOM 1231 N PRO A 86 2.430 12.745 -0.009 1.00 0.00 N ATOM 1232 CA PRO A 86 1.632 13.369 1.051 1.00 0.00 C ATOM 1233 C PRO A 86 1.605 14.889 0.938 1.00 0.00 C ATOM 1234 O PRO A 86 2.465 15.577 1.487 1.00 0.00 O ATOM 1235 CB PRO A 86 2.350 12.941 2.333 1.00 0.00 C ATOM 1236 CG PRO A 86 3.756 12.683 1.913 1.00 0.00 C ATOM 1237 CD PRO A 86 3.677 12.157 0.507 1.00 0.00 C ATOM 0 HA PRO A 86 0.587 13.063 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.301 13.721 3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.895 12.048 2.762 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.350 13.596 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.235 11.960 2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.540 12.462 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.646 11.068 0.487 1.00 0.00 H new ATOM 1245 N ASP A 87 0.611 15.407 0.224 1.00 0.00 N ATOM 1246 CA ASP A 87 0.471 16.847 0.041 1.00 0.00 C ATOM 1247 C ASP A 87 -0.463 17.440 1.090 1.00 0.00 C ATOM 1248 O ASP A 87 -1.187 18.399 0.822 1.00 0.00 O ATOM 1249 CB ASP A 87 -0.056 17.155 -1.362 1.00 0.00 C ATOM 1250 CG ASP A 87 -0.240 18.641 -1.598 1.00 0.00 C ATOM 1251 OD1 ASP A 87 0.647 19.420 -1.191 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.271 19.026 -2.189 1.00 0.00 O ATOM 0 H ASP A 87 -0.109 14.851 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 87 1.455 17.301 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.637 16.755 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.009 16.646 -1.509 1.00 0.00 H new ATOM 1257 N LYS A 88 -0.442 16.863 2.287 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.287 17.334 3.379 1.00 0.00 C ATOM 1259 C LYS A 88 -0.666 16.997 4.731 1.00 0.00 C ATOM 1260 O LYS A 88 -0.310 15.847 4.993 1.00 0.00 O ATOM 1261 CB LYS A 88 -2.681 16.712 3.276 1.00 0.00 C ATOM 1262 CG LYS A 88 -3.655 17.535 2.450 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.071 16.995 2.557 1.00 0.00 C ATOM 1264 CE LYS A 88 -6.102 18.073 2.259 1.00 0.00 C ATOM 1265 NZ LYS A 88 -6.237 18.323 0.797 1.00 0.00 N ATOM 0 H LYS A 88 0.151 16.068 2.526 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.373 18.418 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.595 15.718 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.087 16.583 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.633 18.572 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.341 17.532 1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.199 16.165 1.862 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.236 16.599 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.068 17.775 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.816 18.998 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.949 19.064 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.322 18.632 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.535 17.447 0.321 1.00 0.00 H new ATOM 1279 N THR A 89 -0.541 18.005 5.588 1.00 0.00 N ATOM 1280 CA THR A 89 0.035 17.816 6.913 1.00 0.00 C ATOM 1281 C THR A 89 -0.979 17.202 7.871 1.00 0.00 C ATOM 1282 O THR A 89 -2.107 17.679 7.986 1.00 0.00 O ATOM 1283 CB THR A 89 0.540 19.147 7.501 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.511 20.119 7.486 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.733 19.669 6.714 1.00 0.00 C ATOM 0 H THR A 89 -0.831 18.962 5.388 1.00 0.00 H new ATOM 0 HA THR A 89 0.879 17.136 6.797 1.00 0.00 H new ATOM 0 HB THR A 89 0.854 18.969 8.529 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.183 20.962 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.072 20.610 7.148 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.542 18.939 6.753 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.441 19.832 5.677 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.569 16.140 8.558 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.454 15.478 9.498 1.00 0.00 C ATOM 1295 C GLY A 90 -1.115 14.012 9.680 1.00 0.00 C ATOM 1296 O GLY A 90 0.056 13.633 9.674 1.00 0.00 O ATOM 0 H GLY A 90 0.360 15.727 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.398 15.983 10.462 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.483 15.569 9.150 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.143 13.185 9.845 1.00 0.00 N ATOM 1301 CA ARG A 91 -1.948 11.752 10.032 1.00 0.00 C ATOM 1302 C ARG A 91 -2.437 10.973 8.815 1.00 0.00 C ATOM 1303 O ARG A 91 -3.507 11.252 8.275 1.00 0.00 O ATOM 1304 CB ARG A 91 -2.684 11.275 11.285 1.00 0.00 C ATOM 1305 CG ARG A 91 -1.909 11.508 12.572 1.00 0.00 C ATOM 1306 CD ARG A 91 -1.822 12.988 12.910 1.00 0.00 C ATOM 1307 NE ARG A 91 -1.456 13.210 14.307 1.00 0.00 N ATOM 1308 CZ ARG A 91 -1.744 14.321 14.974 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -2.399 15.307 14.376 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -1.377 14.448 16.243 1.00 0.00 N ATOM 0 H ARG A 91 -3.119 13.483 9.853 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.880 11.569 10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.643 11.789 11.350 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.898 10.211 11.187 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.392 10.975 13.391 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.904 11.097 12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.086 13.465 12.262 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.782 13.463 12.707 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.952 12.471 14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.683 15.213 13.401 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.619 16.159 14.891 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.873 13.692 16.706 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.599 15.302 16.755 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.645 9.996 8.387 1.00 0.00 N ATOM 1325 CA TYR A 92 -1.995 9.178 7.232 1.00 0.00 C ATOM 1326 C TYR A 92 -2.245 7.731 7.645 1.00 0.00 C ATOM 1327 O TYR A 92 -1.389 7.091 8.255 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.883 9.236 6.183 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.056 10.353 5.179 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -2.033 10.282 4.193 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.242 11.479 5.215 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -2.194 11.300 3.273 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.397 12.502 4.299 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.374 12.408 3.330 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.531 13.424 2.416 1.00 0.00 O ATOM 0 H TYR A 92 -0.756 9.751 8.823 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.913 9.578 6.801 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.075 9.358 6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.845 8.285 5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.677 9.416 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.525 11.556 5.972 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.958 11.229 2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.243 13.371 4.342 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.875 14.130 2.596 1.00 0.00 H new ATOM 1345 N MET A 93 -3.425 7.221 7.305 1.00 0.00 N ATOM 1346 CA MET A 93 -3.788 5.848 7.638 1.00 0.00 C ATOM 1347 C MET A 93 -3.742 4.958 6.400 1.00 0.00 C ATOM 1348 O MET A 93 -4.573 5.088 5.500 1.00 0.00 O ATOM 1349 CB MET A 93 -5.184 5.804 8.261 1.00 0.00 C ATOM 1350 CG MET A 93 -5.372 4.669 9.254 1.00 0.00 C ATOM 1351 SD MET A 93 -6.554 5.071 10.554 1.00 0.00 S ATOM 1352 CE MET A 93 -7.644 3.651 10.471 1.00 0.00 C ATOM 0 H MET A 93 -4.145 7.737 6.800 1.00 0.00 H new ATOM 0 HA MET A 93 -3.064 5.472 8.361 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.378 6.751 8.764 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.924 5.707 7.467 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.711 3.779 8.723 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.411 4.424 9.706 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.627 3.967 10.121 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.232 2.916 9.780 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.737 3.205 11.461 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.768 4.056 6.361 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.616 3.144 5.234 1.00 0.00 C ATOM 1364 C ILE A 94 -3.124 1.750 5.582 1.00 0.00 C ATOM 1365 O ILE A 94 -2.685 1.143 6.558 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.147 3.046 4.784 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.588 4.438 4.482 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.026 2.145 3.563 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.922 4.483 4.421 1.00 0.00 C ATOM 0 H ILE A 94 -2.072 3.937 7.097 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.211 3.551 4.417 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.563 2.609 5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.992 4.784 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.933 5.133 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.018 2.086 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.389 1.147 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.621 2.556 2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.247 5.500 4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.334 4.168 5.379 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.275 3.814 3.636 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.053 1.245 4.775 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.604 -0.076 5.013 1.00 0.00 C ATOM 1383 C GLY A 95 -4.171 -1.083 3.966 1.00 0.00 C ATOM 1384 O GLY A 95 -4.820 -1.231 2.930 1.00 0.00 O ATOM 0 H GLY A 95 -4.433 1.728 3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.292 -0.424 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.692 -0.015 5.026 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.068 -1.776 4.234 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.548 -2.774 3.306 1.00 0.00 C ATOM 1390 C VAL A 96 -3.326 -4.080 3.412 1.00 0.00 C ATOM 1391 O VAL A 96 -3.543 -4.601 4.507 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.056 -3.055 3.564 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.543 -4.126 2.613 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.242 -1.777 3.430 1.00 0.00 C ATOM 0 H VAL A 96 -2.518 -1.665 5.086 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.665 -2.366 2.302 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.944 -3.424 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.513 -4.312 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.107 -5.046 2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.667 -3.788 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.810 -1.994 3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.357 -1.376 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.594 -1.043 4.155 1.00 0.00 H new ATOM 1404 N THR A 97 -3.745 -4.608 2.266 1.00 0.00 N ATOM 1405 CA THR A 97 -4.500 -5.854 2.228 1.00 0.00 C ATOM 1406 C THR A 97 -3.900 -6.830 1.222 1.00 0.00 C ATOM 1407 O THR A 97 -3.387 -6.425 0.179 1.00 0.00 O ATOM 1408 CB THR A 97 -5.977 -5.606 1.867 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.064 -4.806 0.683 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.703 -4.910 3.009 1.00 0.00 C ATOM 0 H THR A 97 -3.574 -4.191 1.351 1.00 0.00 H new ATOM 0 HA THR A 97 -4.446 -6.286 3.227 1.00 0.00 H new ATOM 0 HB THR A 97 -6.452 -6.571 1.689 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.006 -4.654 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.744 -4.745 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.660 -5.534 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.226 -3.951 3.213 1.00 0.00 H new ATOM 1418 N TYR A 98 -3.968 -8.118 1.542 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.430 -9.152 0.666 1.00 0.00 C ATOM 1420 C TYR A 98 -4.423 -10.299 0.504 1.00 0.00 C ATOM 1421 O TYR A 98 -4.797 -10.953 1.477 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.107 -9.682 1.222 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.151 -10.163 0.153 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.364 -9.265 -0.557 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.035 -11.515 -0.145 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.510 -9.700 -1.535 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.162 -11.959 -1.119 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.608 -11.048 -1.812 1.00 0.00 C ATOM 1429 OH TYR A 98 1.478 -11.485 -2.784 1.00 0.00 O ATOM 0 H TYR A 98 -4.390 -8.470 2.401 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.253 -8.708 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.625 -8.895 1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.314 -10.503 1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.436 -8.209 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.638 -12.231 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.113 -8.989 -2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.083 -13.014 -1.337 1.00 0.00 H new ATOM 0 HH TYR A 98 1.878 -12.335 -2.506 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.844 -10.538 -0.734 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.789 -11.606 -1.003 1.00 0.00 C ATOM 1441 C GLY A 99 -7.100 -11.420 -0.265 1.00 0.00 C ATOM 1442 O GLY A 99 -7.628 -12.363 0.323 1.00 0.00 O ATOM 0 H GLY A 99 -4.548 -10.011 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.983 -11.654 -2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.346 -12.560 -0.716 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.626 -10.200 -0.294 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.878 -9.915 0.383 1.00 0.00 C ATOM 1448 C GLY A 100 -8.787 -10.122 1.882 1.00 0.00 C ATOM 1449 O GLY A 100 -9.749 -10.555 2.515 1.00 0.00 O ATOM 0 H GLY A 100 -7.208 -9.403 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.172 -8.885 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.661 -10.556 -0.022 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.627 -9.813 2.451 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.413 -9.968 3.885 1.00 0.00 C ATOM 1455 C ASP A 101 -6.402 -8.947 4.397 1.00 0.00 C ATOM 1456 O ASP A 101 -5.252 -8.922 3.957 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.930 -11.385 4.200 1.00 0.00 C ATOM 1458 CG ASP A 101 -8.072 -12.375 4.310 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.615 -12.774 3.258 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.424 -12.751 5.448 1.00 0.00 O ATOM 0 H ASP A 101 -6.820 -9.454 1.941 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.364 -9.796 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.243 -11.713 3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.370 -11.375 5.135 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.839 -8.106 5.328 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.972 -7.082 5.900 1.00 0.00 C ATOM 1467 C ASP A 102 -4.978 -7.697 6.880 1.00 0.00 C ATOM 1468 O ASP A 102 -5.326 -8.589 7.655 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.808 -6.013 6.606 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.717 -6.598 7.669 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.203 -7.000 8.734 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.943 -6.653 7.436 1.00 0.00 O ATOM 0 H ASP A 102 -7.788 -8.113 5.703 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.413 -6.618 5.087 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.144 -5.280 7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.410 -5.482 5.869 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.740 -7.216 6.839 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.696 -7.719 7.723 1.00 0.00 C ATOM 1479 C ILE A 103 -2.892 -7.215 9.149 1.00 0.00 C ATOM 1480 O ILE A 103 -3.482 -6.160 9.385 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.296 -7.306 7.233 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.248 -5.800 6.967 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.923 -8.082 5.978 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.142 -5.282 6.671 1.00 0.00 C ATOM 0 H ILE A 103 -3.436 -6.479 6.203 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.770 -8.806 7.711 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.571 -7.542 8.012 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.900 -5.567 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.646 -5.273 7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.069 -7.779 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.921 -9.150 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.649 -7.874 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.100 -4.208 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.794 -5.483 7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.536 -5.781 5.786 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.385 -7.984 10.124 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.490 -7.634 11.543 1.00 0.00 C ATOM 1498 C PRO A 104 -1.628 -6.431 11.909 1.00 0.00 C ATOM 1499 O PRO A 104 -1.555 -6.037 13.074 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.985 -8.891 12.256 1.00 0.00 C ATOM 1501 CG PRO A 104 -1.087 -9.552 11.269 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.670 -9.254 9.915 1.00 0.00 C ATOM 0 HA PRO A 104 -3.505 -7.350 11.819 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.450 -8.639 13.171 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.811 -9.544 12.539 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.070 -9.169 11.349 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -1.037 -10.627 11.445 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.894 -9.158 9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.343 -10.045 9.584 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.976 -5.850 10.908 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.118 -4.690 11.124 1.00 0.00 C ATOM 1512 C LEU A 105 -0.871 -3.395 10.839 1.00 0.00 C ATOM 1513 O LEU A 105 -0.612 -2.365 11.461 1.00 0.00 O ATOM 1514 CB LEU A 105 1.125 -4.777 10.236 1.00 0.00 C ATOM 1515 CG LEU A 105 2.343 -5.467 10.852 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.901 -4.641 12.000 1.00 0.00 C ATOM 1517 CD2 LEU A 105 1.980 -6.867 11.327 1.00 0.00 C ATOM 0 H LEU A 105 -1.025 -6.163 9.939 1.00 0.00 H new ATOM 0 HA LEU A 105 0.190 -4.687 12.170 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.857 -5.305 9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.412 -3.766 9.948 1.00 0.00 H new ATOM 0 HG LEU A 105 3.113 -5.553 10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.767 -5.148 12.426 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.200 -3.660 11.631 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.137 -4.522 12.768 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.859 -7.343 11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.192 -6.804 12.078 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.629 -7.458 10.481 1.00 0.00 H new ATOM 1529 N SER A 106 -1.806 -3.455 9.896 1.00 0.00 N ATOM 1530 CA SER A 106 -2.596 -2.287 9.528 1.00 0.00 C ATOM 1531 C SER A 106 -3.772 -2.103 10.482 1.00 0.00 C ATOM 1532 O SER A 106 -4.181 -3.024 11.189 1.00 0.00 O ATOM 1533 CB SER A 106 -3.107 -2.423 8.092 1.00 0.00 C ATOM 1534 OG SER A 106 -2.200 -1.841 7.171 1.00 0.00 O ATOM 0 H SER A 106 -2.035 -4.300 9.373 1.00 0.00 H new ATOM 0 HA SER A 106 -1.954 -1.409 9.597 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.249 -3.477 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.081 -1.942 8.002 1.00 0.00 H new ATOM 0 HG SER A 106 -2.430 -0.898 7.037 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.329 -0.883 10.505 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.850 0.222 9.669 1.00 0.00 C ATOM 1542 C PRO A 107 -2.482 0.731 10.110 1.00 0.00 C ATOM 1543 O PRO A 107 -1.975 0.345 11.163 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.914 1.305 9.868 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.511 1.008 11.200 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.469 -0.488 11.349 1.00 0.00 C ATOM 0 HA PRO A 107 -3.719 -0.080 8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.474 2.302 9.845 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.666 1.270 9.080 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.949 1.495 11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.535 1.377 11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.322 -0.784 12.388 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.397 -0.951 11.014 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.890 1.600 9.297 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.579 2.161 9.603 1.00 0.00 C ATOM 1556 C TYR A 108 -0.688 3.642 9.951 1.00 0.00 C ATOM 1557 O TYR A 108 -1.269 4.426 9.201 1.00 0.00 O ATOM 1558 CB TYR A 108 0.368 1.973 8.417 1.00 0.00 C ATOM 1559 CG TYR A 108 1.143 0.675 8.461 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.501 -0.546 8.298 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.518 0.671 8.663 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.206 -1.734 8.339 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.230 -0.512 8.703 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.570 -1.712 8.541 1.00 0.00 C ATOM 1565 OH TYR A 108 3.275 -2.893 8.580 1.00 0.00 O ATOM 0 H TYR A 108 -2.297 1.931 8.422 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.178 1.632 10.468 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.209 2.011 7.493 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.071 2.805 8.389 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.567 -0.567 8.137 1.00 0.00 H new ATOM 0 HD2 TYR A 108 3.039 1.609 8.791 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.691 -2.675 8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.298 -0.497 8.860 1.00 0.00 H new ATOM 0 HH TYR A 108 4.225 -2.702 8.729 1.00 0.00 H new ATOM 1575 N ARG A 109 -0.125 4.017 11.095 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.158 5.404 11.545 1.00 0.00 C ATOM 1577 C ARG A 109 1.139 6.122 11.188 1.00 0.00 C ATOM 1578 O ARG A 109 2.221 5.720 11.617 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.390 5.467 13.056 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.685 4.807 13.501 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.589 4.301 14.932 1.00 0.00 C ATOM 1582 NE ARG A 109 -2.674 3.380 15.261 1.00 0.00 N ATOM 1583 CZ ARG A 109 -2.600 2.473 16.228 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -1.498 2.364 16.957 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -3.630 1.671 16.467 1.00 0.00 N ATOM 0 H ARG A 109 0.360 3.380 11.727 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.982 5.905 11.037 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.446 4.986 13.564 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.397 6.511 13.371 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.505 5.521 13.420 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.919 3.976 12.835 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.632 3.800 15.076 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -1.612 5.148 15.618 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.536 3.437 14.718 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -0.704 2.978 16.776 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -1.444 1.666 17.699 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.479 1.751 15.908 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.572 0.975 17.210 1.00 0.00 H new ATOM 1599 N ILE A 110 1.023 7.187 10.401 1.00 0.00 N ATOM 1600 CA ILE A 110 2.187 7.961 9.988 1.00 0.00 C ATOM 1601 C ILE A 110 1.917 9.458 10.094 1.00 0.00 C ATOM 1602 O ILE A 110 0.780 9.906 9.949 1.00 0.00 O ATOM 1603 CB ILE A 110 2.601 7.627 8.543 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.677 6.111 8.348 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.936 8.277 8.211 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.950 5.699 6.919 1.00 0.00 C ATOM 0 H ILE A 110 0.135 7.533 10.037 1.00 0.00 H new ATOM 0 HA ILE A 110 3.000 7.692 10.662 1.00 0.00 H new ATOM 0 HB ILE A 110 1.847 8.024 7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.461 5.709 8.990 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.738 5.663 8.674 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.215 8.032 7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.850 9.359 8.315 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.701 7.907 8.894 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.991 4.612 6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.153 6.071 6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.903 6.117 6.596 1.00 0.00 H new ATOM 1618 N ARG A 111 2.971 10.227 10.348 1.00 0.00 N ATOM 1619 CA ARG A 111 2.848 11.674 10.473 1.00 0.00 C ATOM 1620 C ARG A 111 3.745 12.386 9.464 1.00 0.00 C ATOM 1621 O ARG A 111 4.968 12.259 9.508 1.00 0.00 O ATOM 1622 CB ARG A 111 3.208 12.117 11.892 1.00 0.00 C ATOM 1623 CG ARG A 111 2.090 11.905 12.899 1.00 0.00 C ATOM 1624 CD ARG A 111 2.182 12.894 14.051 1.00 0.00 C ATOM 1625 NE ARG A 111 1.622 14.196 13.700 1.00 0.00 N ATOM 1626 CZ ARG A 111 1.970 15.331 14.297 1.00 0.00 C ATOM 1627 NH1 ARG A 111 2.872 15.323 15.269 1.00 0.00 N ATOM 1628 NH2 ARG A 111 1.415 16.476 13.922 1.00 0.00 N ATOM 0 H ARG A 111 3.919 9.872 10.471 1.00 0.00 H new ATOM 0 HA ARG A 111 1.812 11.944 10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.091 11.569 12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.476 13.173 11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.126 12.013 12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.137 10.887 13.287 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.653 12.493 14.916 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.225 13.015 14.343 1.00 0.00 H new ATOM 0 HE ARG A 111 0.926 14.237 12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.300 14.444 15.560 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.137 16.196 15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.721 16.486 13.175 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.683 17.347 14.381 1.00 0.00 H new ATOM 1642 N ALA A 112 3.127 13.133 8.555 1.00 0.00 N ATOM 1643 CA ALA A 112 3.869 13.865 7.536 1.00 0.00 C ATOM 1644 C ALA A 112 4.460 15.151 8.104 1.00 0.00 C ATOM 1645 O ALA A 112 3.769 16.162 8.229 1.00 0.00 O ATOM 1646 CB ALA A 112 2.969 14.175 6.348 1.00 0.00 C ATOM 0 H ALA A 112 2.115 13.247 8.504 1.00 0.00 H new ATOM 0 HA ALA A 112 4.693 13.235 7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.536 14.722 5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.599 13.244 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.126 14.782 6.679 1.00 0.00 H new ATOM 1652 N THR A 113 5.743 15.105 8.448 1.00 0.00 N ATOM 1653 CA THR A 113 6.427 16.266 9.006 1.00 0.00 C ATOM 1654 C THR A 113 6.653 17.334 7.942 1.00 0.00 C ATOM 1655 O THR A 113 7.252 17.068 6.901 1.00 0.00 O ATOM 1656 CB THR A 113 7.783 15.876 9.622 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.660 15.381 8.604 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.604 14.819 10.702 1.00 0.00 C ATOM 0 H THR A 113 6.330 14.276 8.350 1.00 0.00 H new ATOM 0 HA THR A 113 5.783 16.667 9.789 1.00 0.00 H new ATOM 0 HB THR A 113 8.219 16.766 10.076 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.387 15.741 7.734 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.576 14.560 11.122 1.00 0.00 H new ATOM 0 HG22 THR A 113 6.960 15.210 11.490 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.147 13.929 10.268 1.00 0.00 H new