USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 553 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 38 TYR OH : rot 150:sc= -1.92! USER MOD Set 1.2: A 58 GLN : amide:sc= -5.35! C(o=-7.3!,f=-1.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0017 USER MOD Single : A 46 SER OG : rot -102:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.18) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 17:sc= 0.613 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 72 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.0029) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -170:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N VAL A 9 6.616 -4.536 -6.948 1.00 0.00 N ATOM 82 CA VAL A 9 6.353 -3.158 -6.570 1.00 0.00 C ATOM 83 C VAL A 9 5.249 -2.590 -7.464 1.00 0.00 C ATOM 84 O VAL A 9 5.355 -2.628 -8.689 1.00 0.00 O ATOM 85 CB VAL A 9 7.647 -2.343 -6.628 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.350 -0.842 -6.616 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.587 -2.725 -5.483 1.00 0.00 C ATOM 0 HA VAL A 9 5.997 -3.106 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 9 8.149 -2.578 -7.566 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.286 -0.285 -6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.736 -0.586 -7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.815 -0.584 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.499 -2.131 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.096 -2.533 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.837 -3.783 -5.555 1.00 0.00 H new ATOM 97 N ARG A 10 4.213 -2.077 -6.817 1.00 0.00 N ATOM 98 CA ARG A 10 3.090 -1.502 -7.538 1.00 0.00 C ATOM 99 C ARG A 10 3.271 0.010 -7.684 1.00 0.00 C ATOM 100 O ARG A 10 4.101 0.608 -7.002 1.00 0.00 O ATOM 101 CB ARG A 10 1.770 -1.784 -6.817 1.00 0.00 C ATOM 102 CG ARG A 10 1.806 -1.257 -5.381 1.00 0.00 C ATOM 103 CD ARG A 10 1.501 -2.372 -4.379 1.00 0.00 C ATOM 104 NE ARG A 10 0.054 -2.685 -4.396 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.605 -3.246 -3.373 1.00 0.00 C ATOM 106 NH1 ARG A 10 0.049 -3.559 -2.246 1.00 0.00 N ATOM 107 NH2 ARG A 10 -1.917 -3.494 -3.477 1.00 0.00 N ATOM 0 H ARG A 10 4.128 -2.048 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 10 3.058 -1.964 -8.525 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.948 -1.316 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.577 -2.857 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.788 -0.833 -5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.080 -0.452 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.077 -3.263 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.804 -2.065 -3.378 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.474 -2.460 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.048 -3.370 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.452 -3.986 -1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.415 -3.256 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.419 -3.921 -2.698 1.00 0.00 H new ATOM 121 N LEU A 11 2.479 0.585 -8.577 1.00 0.00 N ATOM 122 CA LEU A 11 2.541 2.016 -8.821 1.00 0.00 C ATOM 123 C LEU A 11 1.183 2.643 -8.502 1.00 0.00 C ATOM 124 O LEU A 11 0.214 2.441 -9.232 1.00 0.00 O ATOM 125 CB LEU A 11 3.028 2.296 -10.245 1.00 0.00 C ATOM 126 CG LEU A 11 4.488 1.943 -10.536 1.00 0.00 C ATOM 127 CD1 LEU A 11 4.883 2.367 -11.952 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.418 2.541 -9.478 1.00 0.00 C ATOM 0 H LEU A 11 1.791 0.086 -9.140 1.00 0.00 H new ATOM 0 HA LEU A 11 3.271 2.483 -8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.396 1.743 -10.939 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.882 3.355 -10.456 1.00 0.00 H new ATOM 0 HG LEU A 11 4.595 0.860 -10.483 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.925 2.105 -12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.249 1.855 -12.675 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.757 3.444 -12.058 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.450 2.275 -9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.315 3.626 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.153 2.148 -8.496 1.00 0.00 H new ATOM 140 N VAL A 12 1.155 3.393 -7.409 1.00 0.00 N ATOM 141 CA VAL A 12 -0.068 4.051 -6.984 1.00 0.00 C ATOM 142 C VAL A 12 -0.005 5.531 -7.365 1.00 0.00 C ATOM 143 O VAL A 12 1.046 6.160 -7.253 1.00 0.00 O ATOM 144 CB VAL A 12 -0.289 3.828 -5.486 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.475 4.651 -4.979 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.479 2.342 -5.176 1.00 0.00 C ATOM 0 H VAL A 12 1.960 3.559 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.930 3.621 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 12 0.603 4.168 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.611 4.475 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.283 5.710 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.378 4.355 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.634 2.211 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.347 1.965 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.409 1.790 -5.484 1.00 0.00 H new ATOM 156 N SER A 13 -1.143 6.045 -7.808 1.00 0.00 N ATOM 157 CA SER A 13 -1.231 7.439 -8.206 1.00 0.00 C ATOM 158 C SER A 13 -2.415 8.110 -7.508 1.00 0.00 C ATOM 159 O SER A 13 -3.545 7.631 -7.597 1.00 0.00 O ATOM 160 CB SER A 13 -1.365 7.571 -9.724 1.00 0.00 C ATOM 161 OG SER A 13 -1.644 8.911 -10.121 1.00 0.00 O ATOM 0 H SER A 13 -2.013 5.520 -7.900 1.00 0.00 H new ATOM 0 HA SER A 13 -0.310 7.939 -7.905 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.443 7.236 -10.200 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.161 6.915 -10.076 1.00 0.00 H new ATOM 0 HG SER A 13 -1.721 8.954 -11.097 1.00 0.00 H new ATOM 167 N LEU A 14 -2.117 9.207 -6.828 1.00 0.00 N ATOM 168 CA LEU A 14 -3.143 9.949 -6.115 1.00 0.00 C ATOM 169 C LEU A 14 -3.151 11.399 -6.604 1.00 0.00 C ATOM 170 O LEU A 14 -2.102 12.034 -6.690 1.00 0.00 O ATOM 171 CB LEU A 14 -2.951 9.810 -4.603 1.00 0.00 C ATOM 172 CG LEU A 14 -3.517 8.538 -3.969 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.021 8.420 -4.226 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.755 7.301 -4.448 1.00 0.00 C ATOM 0 H LEU A 14 -1.179 9.600 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.129 9.536 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.884 9.856 -4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.412 10.670 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.379 8.603 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.398 7.507 -3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.532 9.282 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.205 8.387 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.177 6.411 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.839 7.219 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.704 7.391 -4.172 1.00 0.00 H new ATOM 315 N LEU A 23 -3.505 12.536 -0.023 1.00 0.00 N ATOM 316 CA LEU A 23 -3.635 11.675 -1.186 1.00 0.00 C ATOM 317 C LEU A 23 -4.662 10.580 -0.892 1.00 0.00 C ATOM 318 O LEU A 23 -4.877 9.689 -1.713 1.00 0.00 O ATOM 319 CB LEU A 23 -2.266 11.137 -1.609 1.00 0.00 C ATOM 320 CG LEU A 23 -1.054 11.787 -0.940 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.205 10.944 -1.148 1.00 0.00 C ATOM 322 CD2 LEU A 23 -0.866 13.226 -1.425 1.00 0.00 C ATOM 0 HA LEU A 23 -4.008 12.241 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.239 10.067 -1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.168 11.257 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.239 11.830 0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.052 11.429 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.056 9.955 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.406 10.847 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.002 13.665 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.713 13.229 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.754 13.810 -1.183 1.00 0.00 H new ATOM 334 N GLY A 24 -5.271 10.683 0.280 1.00 0.00 N ATOM 335 CA GLY A 24 -6.271 9.712 0.692 1.00 0.00 C ATOM 336 C GLY A 24 -5.683 8.708 1.687 1.00 0.00 C ATOM 337 O GLY A 24 -6.421 8.050 2.418 1.00 0.00 O ATOM 0 H GLY A 24 -5.091 11.424 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.117 10.227 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.651 9.183 -0.182 1.00 0.00 H new ATOM 341 N PHE A 25 -4.361 8.623 1.681 1.00 0.00 N ATOM 342 CA PHE A 25 -3.667 7.711 2.574 1.00 0.00 C ATOM 343 C PHE A 25 -2.586 8.442 3.373 1.00 0.00 C ATOM 344 O PHE A 25 -1.840 9.249 2.820 1.00 0.00 O ATOM 345 CB PHE A 25 -3.004 6.646 1.697 1.00 0.00 C ATOM 346 CG PHE A 25 -1.726 7.119 1.002 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.532 7.046 1.649 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.784 7.614 -0.264 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.654 7.485 1.004 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.598 8.053 -0.909 1.00 0.00 C ATOM 351 CZ PHE A 25 0.596 7.980 -0.262 1.00 0.00 C ATOM 0 H PHE A 25 -3.752 9.170 1.072 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.372 7.275 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.770 5.777 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.717 6.318 0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.486 6.654 2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.732 7.673 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.602 7.426 1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.644 8.445 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.498 8.315 -0.753 1.00 0.00 H new ATOM 361 N SER A 26 -2.536 8.133 4.660 1.00 0.00 N ATOM 362 CA SER A 26 -1.559 8.750 5.540 1.00 0.00 C ATOM 363 C SER A 26 -0.310 7.871 5.635 1.00 0.00 C ATOM 364 O SER A 26 -0.387 6.657 5.456 1.00 0.00 O ATOM 365 CB SER A 26 -2.146 8.990 6.933 1.00 0.00 C ATOM 366 OG SER A 26 -2.516 10.352 7.129 1.00 0.00 O ATOM 0 H SER A 26 -3.157 7.463 5.115 1.00 0.00 H new ATOM 0 HA SER A 26 -1.284 9.717 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.020 8.353 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.416 8.700 7.689 1.00 0.00 H new ATOM 0 HG SER A 26 -2.888 10.464 8.029 1.00 0.00 H new ATOM 372 N ILE A 27 0.811 8.519 5.916 1.00 0.00 N ATOM 373 CA ILE A 27 2.074 7.812 6.037 1.00 0.00 C ATOM 374 C ILE A 27 2.545 7.863 7.491 1.00 0.00 C ATOM 375 O ILE A 27 2.013 8.629 8.294 1.00 0.00 O ATOM 376 CB ILE A 27 3.095 8.364 5.040 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.501 9.793 5.406 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.568 8.268 3.606 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.914 10.106 4.909 1.00 0.00 C ATOM 0 H ILE A 27 0.871 9.527 6.063 1.00 0.00 H new ATOM 0 HA ILE A 27 1.948 6.760 5.779 1.00 0.00 H new ATOM 0 HB ILE A 27 3.993 7.749 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.794 10.499 4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.455 9.922 6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.313 8.667 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.369 7.225 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.647 8.844 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.178 11.128 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.622 9.414 5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.950 9.999 3.825 1.00 0.00 H new ATOM 391 N ARG A 28 3.539 7.037 7.788 1.00 0.00 N ATOM 392 CA ARG A 28 4.088 6.979 9.131 1.00 0.00 C ATOM 393 C ARG A 28 5.565 6.584 9.085 1.00 0.00 C ATOM 394 O ARG A 28 6.065 6.161 8.043 1.00 0.00 O ATOM 395 CB ARG A 28 3.325 5.972 9.995 1.00 0.00 C ATOM 396 CG ARG A 28 3.247 4.608 9.306 1.00 0.00 C ATOM 397 CD ARG A 28 3.214 3.475 10.335 1.00 0.00 C ATOM 398 NE ARG A 28 3.359 2.169 9.654 1.00 0.00 N ATOM 399 CZ ARG A 28 3.733 1.039 10.269 1.00 0.00 C ATOM 400 NH1 ARG A 28 4.004 1.048 11.581 1.00 0.00 N ATOM 401 NH2 ARG A 28 3.837 -0.101 9.572 1.00 0.00 N ATOM 0 H ARG A 28 3.978 6.403 7.120 1.00 0.00 H new ATOM 0 HA ARG A 28 3.987 7.970 9.573 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.819 5.868 10.961 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.319 6.343 10.190 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.355 4.563 8.681 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.105 4.480 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.017 3.608 11.060 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.276 3.503 10.889 1.00 0.00 H new ATOM 0 HE ARG A 28 3.162 2.127 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.926 1.915 12.112 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.289 0.188 12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.631 -0.109 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.122 -0.961 10.041 1.00 0.00 H new ATOM 415 N GLY A 29 6.222 6.736 10.225 1.00 0.00 N ATOM 416 CA GLY A 29 7.632 6.400 10.327 1.00 0.00 C ATOM 417 C GLY A 29 8.505 7.645 10.157 1.00 0.00 C ATOM 418 O GLY A 29 8.228 8.687 10.748 1.00 0.00 O ATOM 0 H GLY A 29 5.804 7.087 11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.831 5.941 11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.890 5.664 9.566 1.00 0.00 H new ATOM 422 N GLY A 30 9.543 7.494 9.346 1.00 0.00 N ATOM 423 CA GLY A 30 10.458 8.593 9.091 1.00 0.00 C ATOM 424 C GLY A 30 11.852 8.284 9.641 1.00 0.00 C ATOM 425 O GLY A 30 11.986 7.611 10.662 1.00 0.00 O ATOM 0 H GLY A 30 9.770 6.628 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.519 8.779 8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.075 9.504 9.551 1.00 0.00 H new ATOM 429 N SER A 31 12.856 8.791 8.940 1.00 0.00 N ATOM 430 CA SER A 31 14.235 8.578 9.345 1.00 0.00 C ATOM 431 C SER A 31 14.443 9.079 10.776 1.00 0.00 C ATOM 432 O SER A 31 15.367 8.644 11.461 1.00 0.00 O ATOM 433 CB SER A 31 15.204 9.279 8.391 1.00 0.00 C ATOM 434 OG SER A 31 16.540 8.808 8.546 1.00 0.00 O ATOM 0 H SER A 31 12.742 9.349 8.094 1.00 0.00 H new ATOM 0 HA SER A 31 14.441 7.508 9.307 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.880 9.119 7.363 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.175 10.354 8.570 1.00 0.00 H new ATOM 0 HG SER A 31 17.128 9.279 7.919 1.00 0.00 H new ATOM 440 N GLU A 32 13.568 9.986 11.185 1.00 0.00 N ATOM 441 CA GLU A 32 13.644 10.550 12.521 1.00 0.00 C ATOM 442 C GLU A 32 13.374 9.469 13.570 1.00 0.00 C ATOM 443 O GLU A 32 13.741 9.623 14.734 1.00 0.00 O ATOM 444 CB GLU A 32 12.673 11.722 12.678 1.00 0.00 C ATOM 445 CG GLU A 32 11.224 11.231 12.719 1.00 0.00 C ATOM 446 CD GLU A 32 10.263 12.384 13.016 1.00 0.00 C ATOM 447 OE1 GLU A 32 10.264 13.344 12.215 1.00 0.00 O ATOM 448 OE2 GLU A 32 9.549 12.280 14.036 1.00 0.00 O ATOM 0 H GLU A 32 12.803 10.344 10.614 1.00 0.00 H new ATOM 0 HA GLU A 32 14.652 10.934 12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.902 12.269 13.593 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.801 12.419 11.850 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.964 10.773 11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.119 10.460 13.482 1.00 0.00 H new ATOM 455 N HIS A 33 12.734 8.400 13.120 1.00 0.00 N ATOM 456 CA HIS A 33 12.410 7.294 14.005 1.00 0.00 C ATOM 457 C HIS A 33 13.315 6.101 13.688 1.00 0.00 C ATOM 458 O HIS A 33 13.324 5.113 14.420 1.00 0.00 O ATOM 459 CB HIS A 33 10.922 6.948 13.920 1.00 0.00 C ATOM 460 CG HIS A 33 10.137 7.307 15.159 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.569 6.356 15.988 1.00 0.00 N ATOM 462 CD2 HIS A 33 9.833 8.521 15.702 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.953 6.980 16.981 1.00 0.00 C ATOM 464 NE2 HIS A 33 9.117 8.322 16.801 1.00 0.00 N ATOM 0 H HIS A 33 12.431 8.276 12.154 1.00 0.00 H new ATOM 0 HA HIS A 33 12.598 7.584 15.039 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.487 7.465 13.064 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.818 5.879 13.733 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.126 9.482 15.304 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.415 6.509 17.791 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.750 9.052 17.411 1.00 0.00 H new ATOM 472 N GLY A 34 14.053 6.233 12.595 1.00 0.00 N ATOM 473 CA GLY A 34 14.959 5.179 12.173 1.00 0.00 C ATOM 474 C GLY A 34 14.286 4.253 11.157 1.00 0.00 C ATOM 475 O GLY A 34 14.884 3.273 10.714 1.00 0.00 O ATOM 0 H GLY A 34 14.042 7.054 11.989 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.854 5.618 11.733 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.280 4.602 13.040 1.00 0.00 H new ATOM 479 N VAL A 35 13.052 4.595 10.819 1.00 0.00 N ATOM 480 CA VAL A 35 12.292 3.807 9.864 1.00 0.00 C ATOM 481 C VAL A 35 12.083 4.623 8.586 1.00 0.00 C ATOM 482 O VAL A 35 12.308 5.832 8.574 1.00 0.00 O ATOM 483 CB VAL A 35 10.979 3.342 10.497 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.211 2.806 11.911 1.00 0.00 C ATOM 485 CG2 VAL A 35 9.943 4.468 10.501 1.00 0.00 C ATOM 0 H VAL A 35 12.559 5.408 11.190 1.00 0.00 H new ATOM 0 HA VAL A 35 12.842 2.907 9.589 1.00 0.00 H new ATOM 0 HB VAL A 35 10.585 2.527 9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.262 2.482 12.338 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.898 1.961 11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.639 3.593 12.533 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.019 4.111 10.956 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.326 5.313 11.073 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.744 4.783 9.477 1.00 0.00 H new ATOM 495 N GLY A 36 11.657 3.928 7.542 1.00 0.00 N ATOM 496 CA GLY A 36 11.416 4.573 6.262 1.00 0.00 C ATOM 497 C GLY A 36 10.014 5.185 6.212 1.00 0.00 C ATOM 498 O GLY A 36 9.655 5.993 7.067 1.00 0.00 O ATOM 0 H GLY A 36 11.472 2.925 7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.162 5.350 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.528 3.846 5.458 1.00 0.00 H new ATOM 502 N ILE A 37 9.261 4.776 5.202 1.00 0.00 N ATOM 503 CA ILE A 37 7.907 5.274 5.029 1.00 0.00 C ATOM 504 C ILE A 37 6.962 4.096 4.785 1.00 0.00 C ATOM 505 O ILE A 37 7.339 3.116 4.146 1.00 0.00 O ATOM 506 CB ILE A 37 7.863 6.336 3.928 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.068 7.274 4.023 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.538 7.100 3.956 1.00 0.00 C ATOM 509 CD1 ILE A 37 9.073 8.028 5.355 1.00 0.00 C ATOM 0 H ILE A 37 9.563 4.105 4.495 1.00 0.00 H new ATOM 0 HA ILE A 37 7.566 5.774 5.936 1.00 0.00 H new ATOM 0 HB ILE A 37 7.923 5.831 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 37 9.989 6.700 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.045 7.986 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.533 7.849 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.713 6.404 3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.422 7.593 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.940 8.688 5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.162 8.620 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.121 7.314 6.177 1.00 0.00 H new ATOM 521 N TYR A 38 5.752 4.231 5.308 1.00 0.00 N ATOM 522 CA TYR A 38 4.750 3.190 5.155 1.00 0.00 C ATOM 523 C TYR A 38 3.344 3.742 5.397 1.00 0.00 C ATOM 524 O TYR A 38 3.172 4.715 6.130 1.00 0.00 O ATOM 525 CB TYR A 38 5.064 2.142 6.224 1.00 0.00 C ATOM 526 CG TYR A 38 6.492 1.597 6.160 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.509 2.245 6.831 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.763 0.456 5.432 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.853 1.731 6.771 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.107 -0.057 5.372 1.00 0.00 C ATOM 531 CZ TYR A 38 9.086 0.606 6.044 1.00 0.00 C ATOM 532 OH TYR A 38 10.355 0.121 5.987 1.00 0.00 O ATOM 0 H TYR A 38 5.443 5.046 5.838 1.00 0.00 H new ATOM 0 HA TYR A 38 4.775 2.779 4.146 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.897 2.580 7.208 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.364 1.312 6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.297 3.137 7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.967 -0.052 4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.658 2.228 7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.333 -0.949 4.806 1.00 0.00 H new ATOM 0 HH TYR A 38 10.329 -0.853 5.879 1.00 0.00 H new ATOM 542 N VAL A 39 2.373 3.098 4.766 1.00 0.00 N ATOM 543 CA VAL A 39 0.987 3.512 4.903 1.00 0.00 C ATOM 544 C VAL A 39 0.531 3.283 6.346 1.00 0.00 C ATOM 545 O VAL A 39 0.733 2.204 6.900 1.00 0.00 O ATOM 546 CB VAL A 39 0.118 2.781 3.878 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.367 3.064 4.117 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.525 3.151 2.451 1.00 0.00 C ATOM 0 H VAL A 39 2.519 2.292 4.158 1.00 0.00 H new ATOM 0 HA VAL A 39 0.884 4.577 4.695 1.00 0.00 H new ATOM 0 HB VAL A 39 0.279 1.710 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.963 2.533 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.646 2.727 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.552 4.135 4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.108 2.618 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.407 4.225 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.566 2.875 2.286 1.00 0.00 H new ATOM 558 N SER A 40 -0.075 4.316 6.913 1.00 0.00 N ATOM 559 CA SER A 40 -0.561 4.241 8.280 1.00 0.00 C ATOM 560 C SER A 40 -2.089 4.173 8.289 1.00 0.00 C ATOM 561 O SER A 40 -2.679 3.478 9.115 1.00 0.00 O ATOM 562 CB SER A 40 -0.077 5.437 9.103 1.00 0.00 C ATOM 563 OG SER A 40 -1.095 6.421 9.262 1.00 0.00 O ATOM 0 H SER A 40 -0.240 5.210 6.450 1.00 0.00 H new ATOM 0 HA SER A 40 -0.161 3.335 8.736 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.252 5.093 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.789 5.886 8.616 1.00 0.00 H new ATOM 0 HG SER A 40 -0.748 7.167 9.794 1.00 0.00 H new ATOM 569 N LEU A 41 -2.688 4.905 7.360 1.00 0.00 N ATOM 570 CA LEU A 41 -4.136 4.937 7.251 1.00 0.00 C ATOM 571 C LEU A 41 -4.530 5.053 5.777 1.00 0.00 C ATOM 572 O LEU A 41 -3.857 5.731 5.003 1.00 0.00 O ATOM 573 CB LEU A 41 -4.715 6.046 8.131 1.00 0.00 C ATOM 574 CG LEU A 41 -6.240 6.180 8.125 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.740 6.805 9.429 1.00 0.00 C ATOM 576 CD2 LEU A 41 -6.717 6.957 6.897 1.00 0.00 C ATOM 0 H LEU A 41 -2.196 5.480 6.676 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.567 4.008 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.389 5.876 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.285 6.996 7.814 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.671 5.181 8.061 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.826 6.889 9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.448 6.176 10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.303 7.796 9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.804 7.038 6.917 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.279 7.955 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.409 6.433 5.992 1.00 0.00 H new ATOM 588 N VAL A 42 -5.618 4.380 5.434 1.00 0.00 N ATOM 589 CA VAL A 42 -6.109 4.399 4.066 1.00 0.00 C ATOM 590 C VAL A 42 -7.630 4.566 4.077 1.00 0.00 C ATOM 591 O VAL A 42 -8.349 3.711 4.592 1.00 0.00 O ATOM 592 CB VAL A 42 -5.652 3.139 3.329 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.614 2.790 2.191 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.222 3.296 2.809 1.00 0.00 C ATOM 0 H VAL A 42 -6.174 3.818 6.079 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.692 5.247 3.522 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.661 2.313 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.266 1.890 1.683 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.610 2.615 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.652 3.616 1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.922 2.386 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.176 4.140 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.548 3.474 3.647 1.00 0.00 H new ATOM 604 N GLU A 43 -8.076 5.674 3.504 1.00 0.00 N ATOM 605 CA GLU A 43 -9.498 5.965 3.441 1.00 0.00 C ATOM 606 C GLU A 43 -10.205 4.961 2.529 1.00 0.00 C ATOM 607 O GLU A 43 -9.675 4.585 1.485 1.00 0.00 O ATOM 608 CB GLU A 43 -9.744 7.400 2.971 1.00 0.00 C ATOM 609 CG GLU A 43 -9.488 8.399 4.102 1.00 0.00 C ATOM 610 CD GLU A 43 -8.478 9.465 3.673 1.00 0.00 C ATOM 611 OE1 GLU A 43 -8.738 10.108 2.633 1.00 0.00 O ATOM 612 OE2 GLU A 43 -7.468 9.614 4.395 1.00 0.00 O ATOM 0 H GLU A 43 -7.477 6.382 3.079 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.913 5.870 4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.093 7.627 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.770 7.500 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.425 8.876 4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.115 7.872 4.980 1.00 0.00 H new ATOM 619 N PRO A 44 -11.423 4.544 2.968 1.00 0.00 N ATOM 620 CA PRO A 44 -12.209 3.591 2.203 1.00 0.00 C ATOM 621 C PRO A 44 -12.840 4.257 0.979 1.00 0.00 C ATOM 622 O PRO A 44 -12.869 5.483 0.881 1.00 0.00 O ATOM 623 CB PRO A 44 -13.238 3.053 3.184 1.00 0.00 C ATOM 624 CG PRO A 44 -13.292 4.056 4.324 1.00 0.00 C ATOM 625 CD PRO A 44 -12.082 4.968 4.200 1.00 0.00 C ATOM 0 HA PRO A 44 -11.606 2.780 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.213 2.949 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.953 2.065 3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.214 4.636 4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.286 3.542 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.379 6.016 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.419 4.865 5.059 1.00 0.00 H new ATOM 633 N GLY A 45 -13.330 3.420 0.076 1.00 0.00 N ATOM 634 CA GLY A 45 -13.958 3.913 -1.137 1.00 0.00 C ATOM 635 C GLY A 45 -13.224 5.143 -1.675 1.00 0.00 C ATOM 636 O GLY A 45 -13.833 6.011 -2.298 1.00 0.00 O ATOM 0 H GLY A 45 -13.305 2.404 0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.962 3.128 -1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.999 4.166 -0.935 1.00 0.00 H new ATOM 640 N SER A 46 -11.925 5.178 -1.414 1.00 0.00 N ATOM 641 CA SER A 46 -11.102 6.287 -1.864 1.00 0.00 C ATOM 642 C SER A 46 -10.322 5.886 -3.118 1.00 0.00 C ATOM 643 O SER A 46 -10.406 4.743 -3.566 1.00 0.00 O ATOM 644 CB SER A 46 -10.140 6.741 -0.764 1.00 0.00 C ATOM 645 OG SER A 46 -8.971 5.928 -0.709 1.00 0.00 O ATOM 0 H SER A 46 -11.423 4.456 -0.897 1.00 0.00 H new ATOM 0 HA SER A 46 -11.758 7.124 -2.104 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.853 7.778 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.649 6.709 0.199 1.00 0.00 H new ATOM 0 HG SER A 46 -9.047 5.296 0.036 1.00 0.00 H new ATOM 651 N LEU A 47 -9.582 6.848 -3.649 1.00 0.00 N ATOM 652 CA LEU A 47 -8.789 6.609 -4.842 1.00 0.00 C ATOM 653 C LEU A 47 -7.603 5.709 -4.489 1.00 0.00 C ATOM 654 O LEU A 47 -7.379 4.688 -5.139 1.00 0.00 O ATOM 655 CB LEU A 47 -8.383 7.934 -5.491 1.00 0.00 C ATOM 656 CG LEU A 47 -7.525 7.829 -6.753 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.941 6.624 -7.599 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.565 9.132 -7.554 1.00 0.00 C ATOM 0 H LEU A 47 -9.515 7.794 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.379 6.081 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.289 8.488 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.839 8.525 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.490 7.669 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.316 6.572 -8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.819 5.711 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.985 6.729 -7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.947 9.030 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.592 9.347 -7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.184 9.948 -6.940 1.00 0.00 H new ATOM 670 N ALA A 48 -6.875 6.119 -3.461 1.00 0.00 N ATOM 671 CA ALA A 48 -5.718 5.363 -3.014 1.00 0.00 C ATOM 672 C ALA A 48 -6.100 3.888 -2.877 1.00 0.00 C ATOM 673 O ALA A 48 -5.573 3.037 -3.592 1.00 0.00 O ATOM 674 CB ALA A 48 -5.196 5.954 -1.703 1.00 0.00 C ATOM 0 H ALA A 48 -7.064 6.966 -2.925 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.912 5.429 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.328 5.386 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.911 6.994 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.977 5.903 -0.945 1.00 0.00 H new ATOM 680 N GLU A 49 -7.015 3.630 -1.953 1.00 0.00 N ATOM 681 CA GLU A 49 -7.474 2.272 -1.713 1.00 0.00 C ATOM 682 C GLU A 49 -7.886 1.611 -3.030 1.00 0.00 C ATOM 683 O GLU A 49 -7.805 0.391 -3.168 1.00 0.00 O ATOM 684 CB GLU A 49 -8.625 2.253 -0.706 1.00 0.00 C ATOM 685 CG GLU A 49 -9.062 0.819 -0.400 1.00 0.00 C ATOM 686 CD GLU A 49 -8.246 0.231 0.752 1.00 0.00 C ATOM 687 OE1 GLU A 49 -7.003 0.215 0.616 1.00 0.00 O ATOM 688 OE2 GLU A 49 -8.882 -0.189 1.742 1.00 0.00 O ATOM 0 H GLU A 49 -7.450 4.338 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.651 1.701 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.315 2.747 0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.469 2.817 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.121 0.805 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.940 0.200 -1.289 1.00 0.00 H new ATOM 695 N LYS A 50 -8.319 2.444 -3.964 1.00 0.00 N ATOM 696 CA LYS A 50 -8.744 1.956 -5.265 1.00 0.00 C ATOM 697 C LYS A 50 -7.513 1.563 -6.084 1.00 0.00 C ATOM 698 O LYS A 50 -7.559 0.612 -6.863 1.00 0.00 O ATOM 699 CB LYS A 50 -9.642 2.984 -5.957 1.00 0.00 C ATOM 700 CG LYS A 50 -9.320 3.076 -7.450 1.00 0.00 C ATOM 701 CD LYS A 50 -10.436 3.798 -8.207 1.00 0.00 C ATOM 702 CE LYS A 50 -11.418 2.799 -8.822 1.00 0.00 C ATOM 703 NZ LYS A 50 -10.950 2.367 -10.158 1.00 0.00 N ATOM 0 H LYS A 50 -8.385 3.455 -3.846 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.354 1.059 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.688 2.707 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.509 3.961 -5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.378 3.606 -7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.186 2.075 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.968 4.465 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.005 4.419 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.521 1.933 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.405 3.255 -8.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.628 1.689 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.874 3.194 -10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.018 1.913 -10.070 1.00 0.00 H new ATOM 717 N GLU A 51 -6.442 2.316 -5.881 1.00 0.00 N ATOM 718 CA GLU A 51 -5.201 2.059 -6.591 1.00 0.00 C ATOM 719 C GLU A 51 -4.550 0.774 -6.075 1.00 0.00 C ATOM 720 O GLU A 51 -3.682 0.205 -6.735 1.00 0.00 O ATOM 721 CB GLU A 51 -4.244 3.246 -6.470 1.00 0.00 C ATOM 722 CG GLU A 51 -4.861 4.512 -7.068 1.00 0.00 C ATOM 723 CD GLU A 51 -4.760 4.504 -8.594 1.00 0.00 C ATOM 724 OE1 GLU A 51 -5.051 3.436 -9.176 1.00 0.00 O ATOM 725 OE2 GLU A 51 -4.394 5.564 -9.144 1.00 0.00 O ATOM 0 H GLU A 51 -6.408 3.104 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.431 1.927 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.001 3.416 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.309 3.017 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.907 4.587 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.353 5.391 -6.671 1.00 0.00 H new ATOM 732 N GLY A 52 -4.993 0.356 -4.898 1.00 0.00 N ATOM 733 CA GLY A 52 -4.464 -0.851 -4.285 1.00 0.00 C ATOM 734 C GLY A 52 -3.878 -0.552 -2.904 1.00 0.00 C ATOM 735 O GLY A 52 -3.847 -1.424 -2.037 1.00 0.00 O ATOM 0 H GLY A 52 -5.712 0.831 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.256 -1.595 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.694 -1.281 -4.925 1.00 0.00 H new ATOM 739 N LEU A 53 -3.427 0.683 -2.742 1.00 0.00 N ATOM 740 CA LEU A 53 -2.844 1.108 -1.481 1.00 0.00 C ATOM 741 C LEU A 53 -3.649 0.510 -0.325 1.00 0.00 C ATOM 742 O LEU A 53 -4.836 0.224 -0.473 1.00 0.00 O ATOM 743 CB LEU A 53 -2.732 2.633 -1.428 1.00 0.00 C ATOM 744 CG LEU A 53 -1.431 3.190 -0.847 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.368 3.350 -1.936 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.682 4.498 -0.095 1.00 0.00 C ATOM 0 H LEU A 53 -3.454 1.403 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.824 0.734 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.851 3.022 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.564 3.018 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.045 2.472 -0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.547 3.748 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.161 2.380 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.731 4.037 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.741 4.872 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.103 5.235 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.381 4.320 0.722 1.00 0.00 H new ATOM 758 N ARG A 54 -2.971 0.340 0.801 1.00 0.00 N ATOM 759 CA ARG A 54 -3.608 -0.218 1.981 1.00 0.00 C ATOM 760 C ARG A 54 -2.680 -0.099 3.192 1.00 0.00 C ATOM 761 O ARG A 54 -1.460 -0.169 3.052 1.00 0.00 O ATOM 762 CB ARG A 54 -3.970 -1.689 1.768 1.00 0.00 C ATOM 763 CG ARG A 54 -2.713 -2.548 1.619 1.00 0.00 C ATOM 764 CD ARG A 54 -2.217 -2.547 0.171 1.00 0.00 C ATOM 765 NE ARG A 54 -2.805 -3.688 -0.566 1.00 0.00 N ATOM 766 CZ ARG A 54 -2.389 -4.956 -0.443 1.00 0.00 C ATOM 767 NH1 ARG A 54 -1.381 -5.253 0.388 1.00 0.00 N ATOM 768 NH2 ARG A 54 -2.981 -5.927 -1.151 1.00 0.00 N ATOM 0 H ARG A 54 -1.987 0.579 0.921 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.522 0.347 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.561 -2.047 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.591 -1.789 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.930 -2.170 2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.927 -3.570 1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.490 -1.610 -0.315 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.129 -2.612 0.150 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.575 -3.497 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.930 -4.514 0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.065 -6.218 0.481 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.748 -5.701 -1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.664 -6.892 -1.057 1.00 0.00 H new ATOM 782 N VAL A 55 -3.293 0.079 4.352 1.00 0.00 N ATOM 783 CA VAL A 55 -2.538 0.208 5.587 1.00 0.00 C ATOM 784 C VAL A 55 -1.593 -0.987 5.729 1.00 0.00 C ATOM 785 O VAL A 55 -2.022 -2.083 6.086 1.00 0.00 O ATOM 786 CB VAL A 55 -3.493 0.359 6.772 1.00 0.00 C ATOM 787 CG1 VAL A 55 -2.806 -0.029 8.083 1.00 0.00 C ATOM 788 CG2 VAL A 55 -4.053 1.781 6.847 1.00 0.00 C ATOM 0 H VAL A 55 -4.305 0.137 4.463 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.924 1.108 5.566 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.329 -0.323 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.507 0.087 8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.478 -1.067 8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.943 0.616 8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.729 1.861 7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.233 2.489 6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.596 2.007 5.930 1.00 0.00 H new ATOM 798 N GLY A 56 -0.324 -0.735 5.442 1.00 0.00 N ATOM 799 CA GLY A 56 0.685 -1.776 5.534 1.00 0.00 C ATOM 800 C GLY A 56 1.539 -1.825 4.265 1.00 0.00 C ATOM 801 O GLY A 56 1.881 -2.904 3.784 1.00 0.00 O ATOM 0 H GLY A 56 0.028 0.175 5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.323 -1.594 6.399 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.204 -2.741 5.690 1.00 0.00 H new ATOM 805 N ASP A 57 1.860 -0.642 3.760 1.00 0.00 N ATOM 806 CA ASP A 57 2.667 -0.537 2.557 1.00 0.00 C ATOM 807 C ASP A 57 3.963 0.210 2.881 1.00 0.00 C ATOM 808 O ASP A 57 4.125 0.727 3.986 1.00 0.00 O ATOM 809 CB ASP A 57 1.932 0.245 1.467 1.00 0.00 C ATOM 810 CG ASP A 57 1.211 -0.617 0.428 1.00 0.00 C ATOM 811 OD1 ASP A 57 1.680 -1.755 0.212 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.208 -0.118 -0.127 1.00 0.00 O ATOM 0 H ASP A 57 1.576 0.251 4.162 1.00 0.00 H new ATOM 0 HA ASP A 57 2.873 -1.546 2.201 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.203 0.902 1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.650 0.884 0.952 1.00 0.00 H new ATOM 817 N GLN A 58 4.851 0.243 1.899 1.00 0.00 N ATOM 818 CA GLN A 58 6.127 0.918 2.067 1.00 0.00 C ATOM 819 C GLN A 58 6.410 1.823 0.866 1.00 0.00 C ATOM 820 O GLN A 58 6.689 1.337 -0.230 1.00 0.00 O ATOM 821 CB GLN A 58 7.259 -0.092 2.271 1.00 0.00 C ATOM 822 CG GLN A 58 8.597 0.620 2.481 1.00 0.00 C ATOM 823 CD GLN A 58 9.684 -0.371 2.903 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.586 -1.568 2.689 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.723 0.194 3.511 1.00 0.00 N ATOM 0 H GLN A 58 4.713 -0.187 0.984 1.00 0.00 H new ATOM 0 HA GLN A 58 6.073 1.539 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.039 -0.722 3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.325 -0.750 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.895 1.122 1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.487 1.391 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.741 1.203 3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.502 -0.382 3.830 1.00 0.00 H new ATOM 834 N ILE A 59 6.329 3.122 1.112 1.00 0.00 N ATOM 835 CA ILE A 59 6.573 4.099 0.065 1.00 0.00 C ATOM 836 C ILE A 59 8.063 4.103 -0.286 1.00 0.00 C ATOM 837 O ILE A 59 8.843 4.842 0.312 1.00 0.00 O ATOM 838 CB ILE A 59 6.035 5.471 0.476 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.562 5.383 0.882 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.264 6.504 -0.629 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.668 5.176 -0.342 1.00 0.00 C ATOM 0 H ILE A 59 6.098 3.521 2.022 1.00 0.00 H new ATOM 0 HA ILE A 59 6.032 3.828 -0.842 1.00 0.00 H new ATOM 0 HB ILE A 59 6.591 5.807 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.423 4.559 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.269 6.296 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.872 7.470 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.332 6.593 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.751 6.186 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.626 5.117 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.792 6.013 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.948 4.250 -0.845 1.00 0.00 H new ATOM 853 N LEU A 60 8.412 3.268 -1.254 1.00 0.00 N ATOM 854 CA LEU A 60 9.794 3.166 -1.691 1.00 0.00 C ATOM 855 C LEU A 60 10.198 4.462 -2.395 1.00 0.00 C ATOM 856 O LEU A 60 11.256 5.023 -2.112 1.00 0.00 O ATOM 857 CB LEU A 60 9.994 1.913 -2.547 1.00 0.00 C ATOM 858 CG LEU A 60 9.454 0.607 -1.960 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.590 -0.541 -2.962 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.129 0.286 -0.625 1.00 0.00 C ATOM 0 H LEU A 60 7.762 2.656 -1.748 1.00 0.00 H new ATOM 0 HA LEU A 60 10.457 3.048 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.518 2.078 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.061 1.791 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 60 8.390 0.736 -1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.199 -1.458 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.027 -0.304 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.641 -0.680 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.727 -0.647 -0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.204 0.183 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.938 1.093 0.083 1.00 0.00 H new ATOM 872 N ARG A 61 9.335 4.901 -3.300 1.00 0.00 N ATOM 873 CA ARG A 61 9.590 6.121 -4.047 1.00 0.00 C ATOM 874 C ARG A 61 8.321 6.973 -4.119 1.00 0.00 C ATOM 875 O ARG A 61 7.216 6.464 -3.939 1.00 0.00 O ATOM 876 CB ARG A 61 10.067 5.808 -5.467 1.00 0.00 C ATOM 877 CG ARG A 61 11.574 5.545 -5.493 1.00 0.00 C ATOM 878 CD ARG A 61 11.955 4.653 -6.676 1.00 0.00 C ATOM 879 NE ARG A 61 13.094 5.246 -7.411 1.00 0.00 N ATOM 880 CZ ARG A 61 13.546 4.794 -8.589 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.958 3.740 -9.172 1.00 0.00 N ATOM 882 NH2 ARG A 61 14.586 5.395 -9.183 1.00 0.00 N ATOM 0 H ARG A 61 8.459 4.434 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 61 10.373 6.672 -3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.535 4.937 -5.849 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.828 6.642 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.111 6.491 -5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.880 5.069 -4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.220 3.657 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.102 4.537 -7.344 1.00 0.00 H new ATOM 0 HE ARG A 61 13.565 6.049 -6.995 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.167 3.282 -8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.302 3.396 -10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.034 6.197 -8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.930 5.051 -10.080 1.00 0.00 H new ATOM 896 N VAL A 62 8.523 8.256 -4.384 1.00 0.00 N ATOM 897 CA VAL A 62 7.409 9.184 -4.482 1.00 0.00 C ATOM 898 C VAL A 62 7.699 10.208 -5.581 1.00 0.00 C ATOM 899 O VAL A 62 8.598 11.036 -5.441 1.00 0.00 O ATOM 900 CB VAL A 62 7.142 9.827 -3.120 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.026 11.058 -2.913 1.00 0.00 C ATOM 902 CG2 VAL A 62 5.662 10.182 -2.962 1.00 0.00 C ATOM 0 H VAL A 62 9.441 8.674 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 62 6.497 8.657 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 62 7.396 9.099 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.817 11.496 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.075 10.765 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.817 11.791 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.499 10.638 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.371 10.884 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.060 9.277 -3.045 1.00 0.00 H new ATOM 912 N ASN A 63 6.921 10.119 -6.649 1.00 0.00 N ATOM 913 CA ASN A 63 7.083 11.028 -7.771 1.00 0.00 C ATOM 914 C ASN A 63 8.255 10.559 -8.636 1.00 0.00 C ATOM 915 O ASN A 63 8.090 10.314 -9.831 1.00 0.00 O ATOM 916 CB ASN A 63 7.390 12.448 -7.290 1.00 0.00 C ATOM 917 CG ASN A 63 6.707 13.488 -8.180 1.00 0.00 C ATOM 918 OD1 ASN A 63 6.912 13.546 -9.382 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.885 14.304 -7.526 1.00 0.00 N ATOM 0 H ASN A 63 6.176 9.431 -6.762 1.00 0.00 H new ATOM 0 HA ASN A 63 6.152 11.033 -8.338 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.053 12.568 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.468 12.612 -7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.381 15.033 -8.031 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.759 14.201 -6.519 1.00 0.00 H new ATOM 926 N ASP A 64 9.412 10.447 -8.000 1.00 0.00 N ATOM 927 CA ASP A 64 10.610 10.012 -8.697 1.00 0.00 C ATOM 928 C ASP A 64 11.733 9.791 -7.682 1.00 0.00 C ATOM 929 O ASP A 64 12.464 8.805 -7.764 1.00 0.00 O ATOM 930 CB ASP A 64 11.080 11.069 -9.698 1.00 0.00 C ATOM 931 CG ASP A 64 11.947 10.537 -10.841 1.00 0.00 C ATOM 932 OD1 ASP A 64 12.017 9.296 -10.969 1.00 0.00 O ATOM 933 OD2 ASP A 64 12.521 11.384 -11.559 1.00 0.00 O ATOM 0 H ASP A 64 9.545 10.650 -7.009 1.00 0.00 H new ATOM 0 HA ASP A 64 10.374 9.091 -9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.204 11.559 -10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.642 11.832 -9.160 1.00 0.00 H new ATOM 938 N LYS A 65 11.834 10.724 -6.746 1.00 0.00 N ATOM 939 CA LYS A 65 12.856 10.643 -5.716 1.00 0.00 C ATOM 940 C LYS A 65 12.547 9.466 -4.789 1.00 0.00 C ATOM 941 O LYS A 65 11.383 9.170 -4.523 1.00 0.00 O ATOM 942 CB LYS A 65 12.989 11.982 -4.987 1.00 0.00 C ATOM 943 CG LYS A 65 14.261 12.020 -4.138 1.00 0.00 C ATOM 944 CD LYS A 65 14.452 13.396 -3.498 1.00 0.00 C ATOM 945 CE LYS A 65 15.762 13.457 -2.711 1.00 0.00 C ATOM 946 NZ LYS A 65 15.829 14.701 -1.912 1.00 0.00 N ATOM 0 H LYS A 65 11.225 11.540 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 65 13.832 10.451 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.008 12.795 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.118 12.142 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.207 11.258 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.124 11.781 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.452 14.164 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.615 13.612 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.839 12.591 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.608 13.412 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.725 14.727 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.777 15.524 -2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.032 14.728 -1.244 1.00 0.00 H new ATOM 960 N SER A 66 13.609 8.827 -4.322 1.00 0.00 N ATOM 961 CA SER A 66 13.466 7.689 -3.430 1.00 0.00 C ATOM 962 C SER A 66 13.673 8.131 -1.980 1.00 0.00 C ATOM 963 O SER A 66 14.742 8.625 -1.625 1.00 0.00 O ATOM 964 CB SER A 66 14.454 6.578 -3.792 1.00 0.00 C ATOM 965 OG SER A 66 15.786 6.900 -3.403 1.00 0.00 O ATOM 0 H SER A 66 14.573 9.076 -4.545 1.00 0.00 H new ATOM 0 HA SER A 66 12.457 7.292 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.149 5.650 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.423 6.402 -4.867 1.00 0.00 H new ATOM 0 HG SER A 66 15.769 7.632 -2.752 1.00 0.00 H new ATOM 971 N LEU A 67 12.633 7.938 -1.182 1.00 0.00 N ATOM 972 CA LEU A 67 12.687 8.310 0.221 1.00 0.00 C ATOM 973 C LEU A 67 13.672 7.394 0.950 1.00 0.00 C ATOM 974 O LEU A 67 14.690 7.854 1.465 1.00 0.00 O ATOM 975 CB LEU A 67 11.283 8.313 0.830 1.00 0.00 C ATOM 976 CG LEU A 67 10.207 9.047 0.028 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.812 8.753 0.585 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.495 10.548 -0.032 1.00 0.00 C ATOM 0 H LEU A 67 11.748 7.529 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 67 13.058 9.329 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.965 7.279 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.339 8.762 1.821 1.00 0.00 H new ATOM 0 HG LEU A 67 10.231 8.674 -0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.065 9.287 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.617 7.682 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.758 9.081 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.715 11.045 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.515 10.955 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.461 10.714 -0.510 1.00 0.00 H new ATOM 990 N ALA A 68 13.334 6.113 0.971 1.00 0.00 N ATOM 991 CA ALA A 68 14.175 5.127 1.629 1.00 0.00 C ATOM 992 C ALA A 68 14.192 5.400 3.134 1.00 0.00 C ATOM 993 O ALA A 68 13.546 4.691 3.905 1.00 0.00 O ATOM 994 CB ALA A 68 15.576 5.161 1.015 1.00 0.00 C ATOM 0 H ALA A 68 12.489 5.735 0.543 1.00 0.00 H new ATOM 0 HA ALA A 68 13.777 4.123 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.207 4.422 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.513 4.932 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.008 6.153 1.148 1.00 0.00 H new ATOM 1000 N ARG A 69 14.937 6.430 3.508 1.00 0.00 N ATOM 1001 CA ARG A 69 15.046 6.806 4.908 1.00 0.00 C ATOM 1002 C ARG A 69 15.252 8.316 5.038 1.00 0.00 C ATOM 1003 O ARG A 69 16.387 8.792 5.056 1.00 0.00 O ATOM 1004 CB ARG A 69 16.210 6.079 5.584 1.00 0.00 C ATOM 1005 CG ARG A 69 15.759 4.731 6.151 1.00 0.00 C ATOM 1006 CD ARG A 69 16.650 4.302 7.319 1.00 0.00 C ATOM 1007 NE ARG A 69 17.251 2.979 7.038 1.00 0.00 N ATOM 1008 CZ ARG A 69 17.747 2.164 7.979 1.00 0.00 C ATOM 1009 NH1 ARG A 69 17.717 2.532 9.267 1.00 0.00 N ATOM 1010 NH2 ARG A 69 18.272 0.981 7.632 1.00 0.00 N ATOM 0 H ARG A 69 15.471 7.016 2.866 1.00 0.00 H new ATOM 0 HA ARG A 69 14.117 6.519 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.014 5.924 4.864 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.614 6.698 6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.724 4.801 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.791 3.974 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.435 5.041 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.064 4.257 8.237 1.00 0.00 H new ATOM 0 HE ARG A 69 17.290 2.668 6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.317 3.432 9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.094 1.912 9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.294 0.701 6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.650 0.361 8.348 1.00 0.00 H new ATOM 1024 N VAL A 70 14.138 9.028 5.124 1.00 0.00 N ATOM 1025 CA VAL A 70 14.183 10.475 5.251 1.00 0.00 C ATOM 1026 C VAL A 70 13.216 10.916 6.352 1.00 0.00 C ATOM 1027 O VAL A 70 12.241 10.224 6.640 1.00 0.00 O ATOM 1028 CB VAL A 70 13.888 11.129 3.900 1.00 0.00 C ATOM 1029 CG1 VAL A 70 14.924 10.714 2.853 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.470 10.799 3.429 1.00 0.00 C ATOM 0 H VAL A 70 13.199 8.630 5.108 1.00 0.00 H new ATOM 0 HA VAL A 70 15.181 10.801 5.544 1.00 0.00 H new ATOM 0 HB VAL A 70 13.955 12.209 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.692 11.192 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.917 11.022 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.903 9.631 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.286 11.276 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.363 9.719 3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.749 11.166 4.160 1.00 0.00 H new ATOM 1040 N THR A 71 13.521 12.064 6.938 1.00 0.00 N ATOM 1041 CA THR A 71 12.692 12.605 8.001 1.00 0.00 C ATOM 1042 C THR A 71 11.236 12.709 7.542 1.00 0.00 C ATOM 1043 O THR A 71 10.967 12.873 6.353 1.00 0.00 O ATOM 1044 CB THR A 71 13.290 13.946 8.432 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.768 14.519 7.218 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.548 13.779 9.286 1.00 0.00 C ATOM 0 H THR A 71 14.331 12.635 6.697 1.00 0.00 H new ATOM 0 HA THR A 71 12.680 11.944 8.868 1.00 0.00 H new ATOM 0 HB THR A 71 12.545 14.513 8.991 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.171 15.393 7.405 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.932 14.761 9.565 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.304 13.216 10.187 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.306 13.242 8.716 1.00 0.00 H new ATOM 1054 N HIS A 72 10.335 12.608 8.508 1.00 0.00 N ATOM 1055 CA HIS A 72 8.914 12.688 8.217 1.00 0.00 C ATOM 1056 C HIS A 72 8.622 13.971 7.435 1.00 0.00 C ATOM 1057 O HIS A 72 7.646 14.038 6.690 1.00 0.00 O ATOM 1058 CB HIS A 72 8.090 12.576 9.501 1.00 0.00 C ATOM 1059 CG HIS A 72 6.747 11.911 9.313 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.562 12.480 9.744 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.416 10.720 8.735 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.568 11.659 9.436 1.00 0.00 C ATOM 1063 NE2 HIS A 72 5.099 10.570 8.811 1.00 0.00 N ATOM 0 H HIS A 72 10.562 12.471 9.493 1.00 0.00 H new ATOM 0 HA HIS A 72 8.619 11.846 7.590 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.662 12.014 10.240 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.935 13.575 9.910 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.107 10.019 8.291 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.521 11.824 9.644 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.571 9.771 8.459 1.00 0.00 H new ATOM 1071 N ALA A 73 9.485 14.956 7.632 1.00 0.00 N ATOM 1072 CA ALA A 73 9.332 16.232 6.955 1.00 0.00 C ATOM 1073 C ALA A 73 9.771 16.086 5.497 1.00 0.00 C ATOM 1074 O ALA A 73 9.246 16.765 4.616 1.00 0.00 O ATOM 1075 CB ALA A 73 10.130 17.304 7.700 1.00 0.00 C ATOM 0 H ALA A 73 10.293 14.896 8.251 1.00 0.00 H new ATOM 0 HA ALA A 73 8.288 16.544 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.015 18.262 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.760 17.389 8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.184 17.027 7.718 1.00 0.00 H new ATOM 1081 N GLU A 74 10.730 15.197 5.287 1.00 0.00 N ATOM 1082 CA GLU A 74 11.246 14.953 3.950 1.00 0.00 C ATOM 1083 C GLU A 74 10.196 14.238 3.098 1.00 0.00 C ATOM 1084 O GLU A 74 9.820 14.724 2.033 1.00 0.00 O ATOM 1085 CB GLU A 74 12.548 14.152 4.002 1.00 0.00 C ATOM 1086 CG GLU A 74 13.756 15.078 4.155 1.00 0.00 C ATOM 1087 CD GLU A 74 13.976 15.906 2.887 1.00 0.00 C ATOM 1088 OE1 GLU A 74 13.762 15.338 1.794 1.00 0.00 O ATOM 1089 OE2 GLU A 74 14.354 17.088 3.039 1.00 0.00 O ATOM 0 H GLU A 74 11.164 14.636 6.020 1.00 0.00 H new ATOM 0 HA GLU A 74 11.468 15.914 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.515 13.451 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.652 13.560 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.604 15.742 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.647 14.487 4.367 1.00 0.00 H new ATOM 1096 N ALA A 75 9.752 13.095 3.600 1.00 0.00 N ATOM 1097 CA ALA A 75 8.752 12.308 2.898 1.00 0.00 C ATOM 1098 C ALA A 75 7.544 13.191 2.580 1.00 0.00 C ATOM 1099 O ALA A 75 7.094 13.246 1.437 1.00 0.00 O ATOM 1100 CB ALA A 75 8.377 11.088 3.743 1.00 0.00 C ATOM 0 H ALA A 75 10.066 12.695 4.484 1.00 0.00 H new ATOM 0 HA ALA A 75 9.148 11.940 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.627 10.498 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.264 10.478 3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.973 11.418 4.700 1.00 0.00 H new ATOM 1106 N VAL A 76 7.053 13.861 3.613 1.00 0.00 N ATOM 1107 CA VAL A 76 5.906 14.739 3.458 1.00 0.00 C ATOM 1108 C VAL A 76 6.207 15.778 2.377 1.00 0.00 C ATOM 1109 O VAL A 76 5.426 15.951 1.442 1.00 0.00 O ATOM 1110 CB VAL A 76 5.542 15.366 4.805 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.385 16.357 4.654 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.209 14.289 5.840 1.00 0.00 C ATOM 0 H VAL A 76 7.429 13.813 4.560 1.00 0.00 H new ATOM 0 HA VAL A 76 5.033 14.174 3.131 1.00 0.00 H new ATOM 0 HB VAL A 76 6.411 15.917 5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.146 16.788 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.674 17.151 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.510 15.838 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.954 14.762 6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.363 13.698 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.073 13.639 5.980 1.00 0.00 H new ATOM 1122 N LYS A 77 7.342 16.443 2.539 1.00 0.00 N ATOM 1123 CA LYS A 77 7.756 17.460 1.588 1.00 0.00 C ATOM 1124 C LYS A 77 7.752 16.866 0.178 1.00 0.00 C ATOM 1125 O LYS A 77 7.695 17.599 -0.808 1.00 0.00 O ATOM 1126 CB LYS A 77 9.101 18.062 1.998 1.00 0.00 C ATOM 1127 CG LYS A 77 8.909 19.206 2.996 1.00 0.00 C ATOM 1128 CD LYS A 77 8.960 20.562 2.290 1.00 0.00 C ATOM 1129 CE LYS A 77 10.140 21.397 2.792 1.00 0.00 C ATOM 1130 NZ LYS A 77 10.512 22.422 1.791 1.00 0.00 N ATOM 0 H LYS A 77 7.988 16.297 3.315 1.00 0.00 H new ATOM 0 HA LYS A 77 7.049 18.290 1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.729 17.289 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.623 18.429 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.952 19.093 3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.684 19.160 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.047 20.413 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.029 21.101 2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.878 21.878 3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.993 20.749 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.314 22.980 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.782 21.956 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.701 23.051 1.620 1.00 0.00 H new ATOM 1144 N ALA A 78 7.814 15.544 0.127 1.00 0.00 N ATOM 1145 CA ALA A 78 7.818 14.843 -1.145 1.00 0.00 C ATOM 1146 C ALA A 78 6.378 14.528 -1.555 1.00 0.00 C ATOM 1147 O ALA A 78 6.048 14.545 -2.739 1.00 0.00 O ATOM 1148 CB ALA A 78 8.680 13.584 -1.032 1.00 0.00 C ATOM 0 H ALA A 78 7.862 14.939 0.947 1.00 0.00 H new ATOM 0 HA ALA A 78 8.253 15.468 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.683 13.058 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.700 13.864 -0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.272 12.932 -0.260 1.00 0.00 H new ATOM 1154 N LEU A 79 5.559 14.248 -0.551 1.00 0.00 N ATOM 1155 CA LEU A 79 4.162 13.930 -0.792 1.00 0.00 C ATOM 1156 C LEU A 79 3.362 15.228 -0.914 1.00 0.00 C ATOM 1157 O LEU A 79 3.937 16.314 -0.958 1.00 0.00 O ATOM 1158 CB LEU A 79 3.635 12.982 0.287 1.00 0.00 C ATOM 1159 CG LEU A 79 4.210 11.564 0.274 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.347 11.015 1.695 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.378 10.643 -0.619 1.00 0.00 C ATOM 0 H LEU A 79 5.836 14.235 0.430 1.00 0.00 H new ATOM 0 HA LEU A 79 4.050 13.396 -1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.837 13.425 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.552 12.914 0.186 1.00 0.00 H new ATOM 0 HG LEU A 79 5.212 11.606 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.758 10.006 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.014 11.657 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.367 10.990 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.808 9.642 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.355 10.601 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.377 11.029 -1.639 1.00 0.00 H new ATOM 1257 N LEU A 85 1.436 12.694 -9.148 1.00 0.00 N ATOM 1258 CA LEU A 85 2.375 12.053 -8.243 1.00 0.00 C ATOM 1259 C LEU A 85 2.300 10.536 -8.428 1.00 0.00 C ATOM 1260 O LEU A 85 1.230 9.992 -8.697 1.00 0.00 O ATOM 1261 CB LEU A 85 2.127 12.510 -6.803 1.00 0.00 C ATOM 1262 CG LEU A 85 2.898 11.754 -5.718 1.00 0.00 C ATOM 1263 CD1 LEU A 85 4.407 11.843 -5.955 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.506 12.248 -4.324 1.00 0.00 C ATOM 0 HA LEU A 85 3.396 12.353 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.379 13.568 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.061 12.421 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 85 2.625 10.700 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.931 11.298 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.649 11.407 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.717 12.888 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.068 11.695 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.732 13.311 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.439 12.090 -4.169 1.00 0.00 H new ATOM 1276 N VAL A 86 3.450 9.896 -8.277 1.00 0.00 N ATOM 1277 CA VAL A 86 3.529 8.453 -8.424 1.00 0.00 C ATOM 1278 C VAL A 86 4.026 7.837 -7.115 1.00 0.00 C ATOM 1279 O VAL A 86 5.204 7.951 -6.780 1.00 0.00 O ATOM 1280 CB VAL A 86 4.408 8.096 -9.625 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.889 6.646 -9.541 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.671 8.354 -10.940 1.00 0.00 C ATOM 0 H VAL A 86 4.335 10.351 -8.054 1.00 0.00 H new ATOM 0 HA VAL A 86 2.542 8.036 -8.625 1.00 0.00 H new ATOM 0 HB VAL A 86 5.286 8.742 -9.601 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.511 6.418 -10.406 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.470 6.508 -8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.028 5.977 -9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.318 8.092 -11.777 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.767 7.746 -10.976 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.402 9.408 -11.005 1.00 0.00 H new ATOM 1292 N LEU A 87 3.104 7.198 -6.410 1.00 0.00 N ATOM 1293 CA LEU A 87 3.434 6.565 -5.145 1.00 0.00 C ATOM 1294 C LEU A 87 3.969 5.156 -5.410 1.00 0.00 C ATOM 1295 O LEU A 87 3.266 4.316 -5.970 1.00 0.00 O ATOM 1296 CB LEU A 87 2.232 6.598 -4.199 1.00 0.00 C ATOM 1297 CG LEU A 87 1.597 7.972 -3.970 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.616 8.957 -3.393 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.952 8.499 -5.253 1.00 0.00 C ATOM 0 H LEU A 87 2.128 7.105 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 87 4.225 7.117 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.468 5.927 -4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.543 6.198 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 87 0.802 7.863 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.140 9.925 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.987 8.580 -2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.448 9.068 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.508 9.476 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.710 8.590 -6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.177 7.807 -5.582 1.00 0.00 H new ATOM 1311 N SER A 88 5.208 4.940 -4.994 1.00 0.00 N ATOM 1312 CA SER A 88 5.845 3.648 -5.179 1.00 0.00 C ATOM 1313 C SER A 88 5.749 2.828 -3.891 1.00 0.00 C ATOM 1314 O SER A 88 6.384 3.159 -2.891 1.00 0.00 O ATOM 1315 CB SER A 88 7.308 3.810 -5.597 1.00 0.00 C ATOM 1316 OG SER A 88 7.473 3.722 -7.009 1.00 0.00 O ATOM 0 H SER A 88 5.788 5.639 -4.529 1.00 0.00 H new ATOM 0 HA SER A 88 5.323 3.121 -5.978 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.680 4.773 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.910 3.041 -5.113 1.00 0.00 H new ATOM 0 HG SER A 88 8.428 3.672 -7.224 1.00 0.00 H new ATOM 1322 N VAL A 89 4.949 1.773 -3.957 1.00 0.00 N ATOM 1323 CA VAL A 89 4.761 0.903 -2.808 1.00 0.00 C ATOM 1324 C VAL A 89 5.101 -0.535 -3.203 1.00 0.00 C ATOM 1325 O VAL A 89 4.804 -0.964 -4.316 1.00 0.00 O ATOM 1326 CB VAL A 89 3.339 1.054 -2.265 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.295 2.064 -1.116 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.365 1.446 -3.378 1.00 0.00 C ATOM 0 H VAL A 89 4.424 1.501 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 89 5.435 1.186 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 89 3.026 0.086 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.273 2.152 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.943 1.724 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.638 3.035 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.361 1.547 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.675 2.396 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.364 0.675 -4.149 1.00 0.00 H new ATOM 1338 N TYR A 90 5.720 -1.241 -2.267 1.00 0.00 N ATOM 1339 CA TYR A 90 6.104 -2.622 -2.503 1.00 0.00 C ATOM 1340 C TYR A 90 5.092 -3.586 -1.879 1.00 0.00 C ATOM 1341 O TYR A 90 4.521 -3.298 -0.829 1.00 0.00 O ATOM 1342 CB TYR A 90 7.458 -2.807 -1.815 1.00 0.00 C ATOM 1343 CG TYR A 90 7.747 -4.248 -1.388 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.932 -5.227 -2.343 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.823 -4.568 -0.048 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.204 -6.582 -1.941 1.00 0.00 C ATOM 1347 CE2 TYR A 90 8.096 -5.924 0.354 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.272 -6.864 -0.612 1.00 0.00 C ATOM 1349 OH TYR A 90 8.530 -8.144 -0.232 1.00 0.00 O ATOM 0 H TYR A 90 5.965 -0.882 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 90 6.146 -2.832 -3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.246 -2.474 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.499 -2.163 -0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.873 -4.976 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.678 -3.802 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.351 -7.358 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.159 -6.188 1.399 1.00 0.00 H new ATOM 0 HH TYR A 90 8.551 -8.197 0.746 1.00 0.00 H new ATOM 1359 N SER A 91 4.902 -4.712 -2.553 1.00 0.00 N ATOM 1360 CA SER A 91 3.970 -5.720 -2.078 1.00 0.00 C ATOM 1361 C SER A 91 4.650 -7.090 -2.052 1.00 0.00 C ATOM 1362 O SER A 91 5.503 -7.380 -2.889 1.00 0.00 O ATOM 1363 CB SER A 91 2.716 -5.766 -2.953 1.00 0.00 C ATOM 1364 OG SER A 91 3.027 -5.649 -4.339 1.00 0.00 O ATOM 0 H SER A 91 5.378 -4.948 -3.424 1.00 0.00 H new ATOM 0 HA SER A 91 3.664 -5.454 -1.066 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.186 -6.702 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.042 -4.960 -2.663 1.00 0.00 H new ATOM 0 HG SER A 91 2.200 -5.685 -4.864 1.00 0.00 H new