USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 322 hydrogens (31 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 NoAdj-H: A 11 NLE HN2 : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 11 NLE H : A 11 NLE N : A 10 VAL C :(H bumps) USER MOD NoAdj-H: A 22 ABA HN2 : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 22 ABA H : A 22 ABA N : A 21 LEU C :(H bumps) USER MOD NoAdj-H: A 26 NLE HN2 : A 26 NLE N : A 25 LEU C :(H bumps) USER MOD Set 1.1: A 32 ASN : amide:sc= 0.822 K(o=1.5,f=-4) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -167:sc= 0.65 (180deg=0) USER MOD Single : A 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 78:sc= 0.124 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.245 9.011 -7.482 1.00 0.00 N ATOM 2 CA VAL A 1 17.111 8.214 -6.227 1.00 0.00 C ATOM 3 C VAL A 1 17.866 8.864 -5.067 1.00 0.00 C ATOM 4 O VAL A 1 18.900 9.498 -5.276 1.00 0.00 O ATOM 5 CB VAL A 1 17.551 6.739 -6.381 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.550 5.946 -7.227 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.956 6.547 -6.975 1.00 0.00 C ATOM 0 H1 VAL A 1 16.721 8.542 -8.249 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.858 9.964 -7.331 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.249 9.082 -7.742 1.00 0.00 H new ATOM 0 HA VAL A 1 16.044 8.207 -6.004 1.00 0.00 H new ATOM 0 HB VAL A 1 17.580 6.360 -5.359 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.887 4.913 -7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.571 5.968 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.478 6.392 -8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 1 19.179 5.482 -7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.995 6.993 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.692 7.030 -6.332 1.00 0.00 H new ATOM 19 N VAL A 2 17.364 8.685 -3.837 1.00 0.00 N ATOM 20 CA VAL A 2 17.992 9.147 -2.571 1.00 0.00 C ATOM 21 C VAL A 2 18.003 8.048 -1.489 1.00 0.00 C ATOM 22 O VAL A 2 18.095 8.335 -0.296 1.00 0.00 O ATOM 23 CB VAL A 2 17.330 10.448 -2.048 1.00 0.00 C ATOM 24 CG1 VAL A 2 17.478 11.608 -3.039 1.00 0.00 C ATOM 25 CG2 VAL A 2 15.838 10.282 -1.718 1.00 0.00 C ATOM 0 H VAL A 2 16.481 8.200 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 2 19.033 9.375 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 2 17.866 10.676 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.000 12.498 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.536 11.810 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.004 11.342 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.437 11.230 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.299 9.978 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.718 9.521 -0.947 1.00 0.00 H new ATOM 35 N PHE A 3 17.842 6.781 -1.895 1.00 0.00 N ATOM 36 CA PHE A 3 17.565 5.613 -1.038 1.00 0.00 C ATOM 37 C PHE A 3 16.483 5.862 0.042 1.00 0.00 C ATOM 38 O PHE A 3 16.554 5.361 1.165 1.00 0.00 O ATOM 39 CB PHE A 3 18.887 5.021 -0.514 1.00 0.00 C ATOM 40 CG PHE A 3 18.786 3.566 -0.080 1.00 0.00 C ATOM 41 CD1 PHE A 3 18.970 3.204 1.269 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.504 2.567 -1.034 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.861 1.856 1.662 1.00 0.00 C ATOM 44 CE2 PHE A 3 18.392 1.221 -0.640 1.00 0.00 C ATOM 45 CZ PHE A 3 18.570 0.865 0.708 1.00 0.00 C ATOM 0 H PHE A 3 17.904 6.527 -2.881 1.00 0.00 H new ATOM 0 HA PHE A 3 17.096 4.846 -1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.645 5.105 -1.293 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.231 5.618 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.195 3.963 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.373 2.836 -2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.001 1.583 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.169 0.461 -1.374 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.483 -0.168 1.011 1.00 0.00 H new ATOM 55 N TYR A 4 15.464 6.655 -0.323 1.00 0.00 N ATOM 56 CA TYR A 4 14.242 6.941 0.445 1.00 0.00 C ATOM 57 C TYR A 4 14.448 7.516 1.864 1.00 0.00 C ATOM 58 O TYR A 4 13.533 7.456 2.685 1.00 0.00 O ATOM 59 CB TYR A 4 13.330 5.699 0.419 1.00 0.00 C ATOM 60 CG TYR A 4 13.135 5.110 -0.969 1.00 0.00 C ATOM 61 CD1 TYR A 4 12.271 5.740 -1.885 1.00 0.00 C ATOM 62 CD2 TYR A 4 13.862 3.966 -1.361 1.00 0.00 C ATOM 63 CE1 TYR A 4 12.137 5.233 -3.192 1.00 0.00 C ATOM 64 CE2 TYR A 4 13.732 3.458 -2.668 1.00 0.00 C ATOM 65 CZ TYR A 4 12.868 4.092 -3.588 1.00 0.00 C ATOM 66 OH TYR A 4 12.742 3.614 -4.858 1.00 0.00 O ATOM 0 H TYR A 4 15.472 7.144 -1.218 1.00 0.00 H new ATOM 0 HA TYR A 4 13.749 7.773 -0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.753 4.935 1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.357 5.966 0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.710 6.613 -1.585 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.520 3.479 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.474 5.718 -3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 4 14.292 2.584 -2.967 1.00 0.00 H new ATOM 0 HH TYR A 4 13.313 2.825 -4.969 1.00 0.00 H new ATOM 76 N VAL A 5 15.618 8.102 2.165 1.00 0.00 N ATOM 77 CA VAL A 5 15.987 8.581 3.518 1.00 0.00 C ATOM 78 C VAL A 5 14.960 9.522 4.166 1.00 0.00 C ATOM 79 O VAL A 5 14.724 9.425 5.371 1.00 0.00 O ATOM 80 CB VAL A 5 17.389 9.228 3.548 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.476 8.185 3.259 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.552 10.408 2.579 1.00 0.00 C ATOM 0 H VAL A 5 16.348 8.261 1.470 1.00 0.00 H new ATOM 0 HA VAL A 5 15.999 7.674 4.122 1.00 0.00 H new ATOM 0 HB VAL A 5 17.501 9.625 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.455 8.663 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.436 7.399 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.311 7.751 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.563 10.808 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.376 10.068 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.833 11.187 2.830 1.00 0.00 H new ATOM 92 N ALA A 6 14.310 10.393 3.385 1.00 0.00 N ATOM 93 CA ALA A 6 13.236 11.262 3.870 1.00 0.00 C ATOM 94 C ALA A 6 11.943 10.478 4.167 1.00 0.00 C ATOM 95 O ALA A 6 11.367 10.621 5.245 1.00 0.00 O ATOM 96 CB ALA A 6 12.998 12.366 2.832 1.00 0.00 C ATOM 0 H ALA A 6 14.517 10.514 2.394 1.00 0.00 H new ATOM 0 HA ALA A 6 13.539 11.707 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.200 13.024 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.913 12.944 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.712 11.916 1.881 1.00 0.00 H new ATOM 102 N LEU A 7 11.511 9.602 3.251 1.00 0.00 N ATOM 103 CA LEU A 7 10.307 8.774 3.397 1.00 0.00 C ATOM 104 C LEU A 7 10.389 7.889 4.656 1.00 0.00 C ATOM 105 O LEU A 7 9.450 7.826 5.448 1.00 0.00 O ATOM 106 CB LEU A 7 10.123 7.946 2.106 1.00 0.00 C ATOM 107 CG LEU A 7 8.667 7.600 1.731 1.00 0.00 C ATOM 108 CD1 LEU A 7 8.664 6.872 0.385 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.948 6.702 2.740 1.00 0.00 C ATOM 0 H LEU A 7 11.999 9.446 2.369 1.00 0.00 H new ATOM 0 HA LEU A 7 9.431 9.409 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.571 8.495 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.682 7.016 2.211 1.00 0.00 H new ATOM 0 HG LEU A 7 8.132 8.550 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.640 6.622 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.098 7.517 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.252 5.958 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.931 6.510 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.484 5.757 2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.916 7.198 3.710 1.00 0.00 H new ATOM 121 N THR A 8 11.548 7.274 4.899 1.00 0.00 N ATOM 122 CA THR A 8 11.825 6.443 6.084 1.00 0.00 C ATOM 123 C THR A 8 11.818 7.229 7.413 1.00 0.00 C ATOM 124 O THR A 8 11.667 6.619 8.472 1.00 0.00 O ATOM 125 CB THR A 8 13.155 5.686 5.890 1.00 0.00 C ATOM 126 OG1 THR A 8 13.131 5.009 4.649 1.00 0.00 O ATOM 127 CG2 THR A 8 13.430 4.600 6.933 1.00 0.00 C ATOM 0 H THR A 8 12.344 7.338 4.264 1.00 0.00 H new ATOM 0 HA THR A 8 11.005 5.730 6.169 1.00 0.00 H new ATOM 0 HB THR A 8 13.925 6.454 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.309 5.646 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.385 4.122 6.717 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.465 5.049 7.925 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.636 3.854 6.900 1.00 0.00 H new ATOM 135 N ALA A 9 11.915 8.567 7.385 1.00 0.00 N ATOM 136 CA ALA A 9 12.090 9.408 8.577 1.00 0.00 C ATOM 137 C ALA A 9 10.954 10.432 8.782 1.00 0.00 C ATOM 138 O ALA A 9 10.150 10.267 9.700 1.00 0.00 O ATOM 139 CB ALA A 9 13.470 10.076 8.491 1.00 0.00 C ATOM 0 H ALA A 9 11.873 9.103 6.518 1.00 0.00 H new ATOM 0 HA ALA A 9 12.038 8.774 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.624 10.707 9.366 1.00 0.00 H new ATOM 0 HB2 ALA A 9 14.244 9.309 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.523 10.687 7.590 1.00 0.00 H new ATOM 145 N VAL A 10 10.832 11.456 7.925 1.00 0.00 N ATOM 146 CA VAL A 10 9.778 12.493 8.025 1.00 0.00 C ATOM 147 C VAL A 10 8.394 12.017 7.556 1.00 0.00 C ATOM 148 O VAL A 10 7.397 12.694 7.814 1.00 0.00 O ATOM 149 CB VAL A 10 10.170 13.814 7.327 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.301 14.510 8.095 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.604 13.649 5.866 1.00 0.00 C ATOM 0 H VAL A 10 11.463 11.595 7.136 1.00 0.00 H new ATOM 0 HA VAL A 10 9.694 12.693 9.093 1.00 0.00 H new ATOM 0 HB VAL A 10 9.262 14.417 7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.566 15.439 7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.970 14.730 9.110 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.172 13.856 8.131 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.862 14.623 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.472 12.992 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.787 13.214 5.291 1.00 0.00 H new HETATM 161 N NLE A 11 8.314 10.825 6.949 1.00 0.00 N HETATM 162 CA NLE A 11 7.068 10.097 6.648 1.00 0.00 C HETATM 163 C NLE A 11 7.055 8.676 7.255 1.00 0.00 C HETATM 164 O NLE A 11 6.250 7.838 6.852 1.00 0.00 O HETATM 165 CB NLE A 11 6.798 10.073 5.131 1.00 0.00 C HETATM 166 CG NLE A 11 6.671 11.472 4.503 1.00 0.00 C HETATM 167 CD NLE A 11 6.402 11.434 2.989 1.00 0.00 C HETATM 168 CE NLE A 11 5.059 10.795 2.611 1.00 0.00 C HETATM 0 HG3 NLE A 11 5.863 12.012 4.996 1.00 0.00 H new HETATM 0 HG2 NLE A 11 7.588 12.031 4.689 1.00 0.00 H new HETATM 0 HE3 NLE A 11 5.032 9.766 2.969 1.00 0.00 H new HETATM 0 HE2 NLE A 11 4.246 11.359 3.068 1.00 0.00 H new HETATM 0 HE1 NLE A 11 4.943 10.806 1.527 1.00 0.00 H new HETATM 0 HD3 NLE A 11 6.431 12.452 2.599 1.00 0.00 H new HETATM 0 HD2 NLE A 11 7.206 10.882 2.501 1.00 0.00 H new HETATM 0 HB3 NLE A 11 7.606 9.534 4.636 1.00 0.00 H new HETATM 0 HB2 NLE A 11 5.880 9.515 4.943 1.00 0.00 H new HETATM 0 HA NLE A 11 6.253 10.641 7.125 1.00 0.00 H new ATOM 180 N VAL A 12 7.931 8.410 8.238 1.00 0.00 N ATOM 181 CA VAL A 12 8.011 7.187 9.071 1.00 0.00 C ATOM 182 C VAL A 12 7.793 5.845 8.336 1.00 0.00 C ATOM 183 O VAL A 12 7.184 4.917 8.873 1.00 0.00 O ATOM 184 CB VAL A 12 7.156 7.323 10.355 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.651 8.485 11.226 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.656 7.529 10.095 1.00 0.00 C ATOM 0 H VAL A 12 8.652 9.085 8.493 1.00 0.00 H new ATOM 0 HA VAL A 12 9.059 7.124 9.364 1.00 0.00 H new ATOM 0 HB VAL A 12 7.277 6.368 10.867 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.033 8.558 12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.687 8.308 11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.585 9.416 10.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.130 7.615 11.046 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.509 8.441 9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.263 6.678 9.539 1.00 0.00 H new ATOM 196 N ALA A 13 8.296 5.731 7.100 1.00 0.00 N ATOM 197 CA ALA A 13 8.154 4.567 6.213 1.00 0.00 C ATOM 198 C ALA A 13 6.691 4.141 5.927 1.00 0.00 C ATOM 199 O ALA A 13 6.414 2.960 5.698 1.00 0.00 O ATOM 200 CB ALA A 13 9.052 3.424 6.722 1.00 0.00 C ATOM 0 H ALA A 13 8.838 6.481 6.671 1.00 0.00 H new ATOM 0 HA ALA A 13 8.502 4.864 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.948 2.560 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.091 3.753 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.753 3.149 7.734 1.00 0.00 H new ATOM 206 N VAL A 14 5.748 5.095 5.917 1.00 0.00 N ATOM 207 CA VAL A 14 4.297 4.887 5.700 1.00 0.00 C ATOM 208 C VAL A 14 3.933 4.054 4.457 1.00 0.00 C ATOM 209 O VAL A 14 2.901 3.381 4.444 1.00 0.00 O ATOM 210 CB VAL A 14 3.562 6.246 5.712 1.00 0.00 C ATOM 211 CG1 VAL A 14 3.909 7.127 4.502 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.037 6.104 5.795 1.00 0.00 C ATOM 0 H VAL A 14 5.979 6.077 6.066 1.00 0.00 H new ATOM 0 HA VAL A 14 3.956 4.275 6.535 1.00 0.00 H new ATOM 0 HB VAL A 14 3.920 6.734 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.362 8.067 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.980 7.330 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.632 6.609 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.579 7.093 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.677 5.541 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.770 5.576 6.711 1.00 0.00 H new ATOM 222 N ALA A 15 4.800 4.024 3.438 1.00 0.00 N ATOM 223 CA ALA A 15 4.661 3.172 2.254 1.00 0.00 C ATOM 224 C ALA A 15 4.481 1.670 2.579 1.00 0.00 C ATOM 225 O ALA A 15 3.785 0.967 1.844 1.00 0.00 O ATOM 226 CB ALA A 15 5.880 3.408 1.353 1.00 0.00 C ATOM 0 H ALA A 15 5.637 4.606 3.415 1.00 0.00 H new ATOM 0 HA ALA A 15 3.741 3.452 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.801 2.784 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.917 4.457 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.789 3.151 1.896 1.00 0.00 H new ATOM 232 N LEU A 16 5.044 1.181 3.693 1.00 0.00 N ATOM 233 CA LEU A 16 4.832 -0.187 4.189 1.00 0.00 C ATOM 234 C LEU A 16 3.358 -0.450 4.545 1.00 0.00 C ATOM 235 O LEU A 16 2.787 -1.463 4.139 1.00 0.00 O ATOM 236 CB LEU A 16 5.748 -0.405 5.410 1.00 0.00 C ATOM 237 CG LEU A 16 5.621 -1.788 6.080 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.995 -2.932 5.136 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.536 -1.853 7.304 1.00 0.00 C ATOM 0 H LEU A 16 5.668 1.732 4.283 1.00 0.00 H new ATOM 0 HA LEU A 16 5.084 -0.897 3.401 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.783 -0.262 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.529 0.363 6.152 1.00 0.00 H new ATOM 0 HG LEU A 16 4.576 -1.908 6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.888 -3.883 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.336 -2.918 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.028 -2.811 4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.444 -2.831 7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.569 -1.695 6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.248 -1.079 8.015 1.00 0.00 H new ATOM 251 N TYR A 17 2.730 0.472 5.278 1.00 0.00 N ATOM 252 CA TYR A 17 1.325 0.369 5.686 1.00 0.00 C ATOM 253 C TYR A 17 0.368 0.555 4.499 1.00 0.00 C ATOM 254 O TYR A 17 -0.662 -0.119 4.431 1.00 0.00 O ATOM 255 CB TYR A 17 1.032 1.390 6.798 1.00 0.00 C ATOM 256 CG TYR A 17 2.013 1.366 7.962 1.00 0.00 C ATOM 257 CD1 TYR A 17 2.344 0.149 8.594 1.00 0.00 C ATOM 258 CD2 TYR A 17 2.610 2.563 8.404 1.00 0.00 C ATOM 259 CE1 TYR A 17 3.286 0.126 9.639 1.00 0.00 C ATOM 260 CE2 TYR A 17 3.554 2.546 9.449 1.00 0.00 C ATOM 261 CZ TYR A 17 3.898 1.324 10.068 1.00 0.00 C ATOM 262 OH TYR A 17 4.808 1.293 11.081 1.00 0.00 O ATOM 0 H TYR A 17 3.187 1.321 5.609 1.00 0.00 H new ATOM 0 HA TYR A 17 1.155 -0.636 6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.031 2.389 6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.029 1.209 7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.873 -0.769 8.275 1.00 0.00 H new ATOM 0 HD2 TYR A 17 2.342 3.500 7.938 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.541 -0.810 10.114 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.014 3.466 9.777 1.00 0.00 H new ATOM 0 HH TYR A 17 5.136 2.200 11.254 1.00 0.00 H new ATOM 272 N ALA A 18 0.732 1.407 3.532 1.00 0.00 N ATOM 273 CA ALA A 18 0.021 1.533 2.261 1.00 0.00 C ATOM 274 C ALA A 18 0.054 0.218 1.457 1.00 0.00 C ATOM 275 O ALA A 18 -0.999 -0.307 1.100 1.00 0.00 O ATOM 276 CB ALA A 18 0.611 2.708 1.469 1.00 0.00 C ATOM 0 H ALA A 18 1.535 2.031 3.614 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.031 1.738 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.085 2.807 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.499 3.627 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.669 2.525 1.280 1.00 0.00 H new ATOM 282 N TYR A 19 1.235 -0.378 1.240 1.00 0.00 N ATOM 283 CA TYR A 19 1.369 -1.692 0.590 1.00 0.00 C ATOM 284 C TYR A 19 0.578 -2.786 1.330 1.00 0.00 C ATOM 285 O TYR A 19 -0.092 -3.607 0.701 1.00 0.00 O ATOM 286 CB TYR A 19 2.856 -2.060 0.480 1.00 0.00 C ATOM 287 CG TYR A 19 3.125 -3.313 -0.336 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.151 -4.579 0.286 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.349 -3.211 -1.724 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.392 -5.738 -0.478 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.599 -4.367 -2.490 1.00 0.00 C ATOM 292 CZ TYR A 19 3.617 -5.635 -1.869 1.00 0.00 C ATOM 293 OH TYR A 19 3.846 -6.759 -2.602 1.00 0.00 O ATOM 0 H TYR A 19 2.127 0.037 1.510 1.00 0.00 H new ATOM 0 HA TYR A 19 0.942 -1.624 -0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.394 -1.225 0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.260 -2.198 1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.986 -4.660 1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.329 -2.243 -2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.405 -6.706 0.000 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.777 -4.283 -3.552 1.00 0.00 H new ATOM 0 HH TYR A 19 3.980 -6.515 -3.542 1.00 0.00 H new ATOM 303 N GLY A 20 0.567 -2.738 2.666 1.00 0.00 N ATOM 304 CA GLY A 20 -0.176 -3.641 3.550 1.00 0.00 C ATOM 305 C GLY A 20 -1.711 -3.594 3.456 1.00 0.00 C ATOM 306 O GLY A 20 -2.368 -4.368 4.155 1.00 0.00 O ATOM 0 H GLY A 20 1.099 -2.038 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.146 -4.661 3.342 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.109 -3.420 4.579 1.00 0.00 H new ATOM 310 N LEU A 21 -2.288 -2.740 2.597 1.00 0.00 N ATOM 311 CA LEU A 21 -3.727 -2.734 2.276 1.00 0.00 C ATOM 312 C LEU A 21 -4.043 -2.513 0.784 1.00 0.00 C ATOM 313 O LEU A 21 -5.051 -3.022 0.292 1.00 0.00 O ATOM 314 CB LEU A 21 -4.453 -1.743 3.210 1.00 0.00 C ATOM 315 CG LEU A 21 -4.275 -0.240 2.910 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.357 0.295 1.966 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.383 0.564 4.207 1.00 0.00 C ATOM 0 H LEU A 21 -1.762 -2.023 2.098 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.112 -3.736 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.519 -1.970 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.114 -1.928 4.229 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.296 -0.131 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.189 1.357 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.315 -0.246 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.338 0.155 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.257 1.625 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.363 0.400 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.607 0.241 4.901 1.00 0.00 H new HETATM 329 N ABA A 22 -3.180 -1.809 0.044 1.00 0.00 N HETATM 330 CA ABA A 22 -3.301 -1.609 -1.406 1.00 0.00 C HETATM 331 C ABA A 22 -2.773 -2.804 -2.222 1.00 0.00 C HETATM 332 O ABA A 22 -3.075 -2.906 -3.412 1.00 0.00 O HETATM 333 CB ABA A 22 -2.563 -0.325 -1.823 1.00 0.00 C HETATM 334 CG ABA A 22 -3.180 0.939 -1.209 1.00 0.00 C HETATM 0 HG3 ABA A 22 -3.142 0.871 -0.122 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -4.217 1.031 -1.531 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.619 1.814 -1.537 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.576 -0.240 -2.910 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.518 -0.397 -1.522 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.365 -1.518 -1.625 1.00 0.00 H new ATOM 342 N PHE A 23 -2.010 -3.715 -1.600 1.00 0.00 N ATOM 343 CA PHE A 23 -1.401 -4.877 -2.264 1.00 0.00 C ATOM 344 C PHE A 23 -1.536 -6.165 -1.437 1.00 0.00 C ATOM 345 O PHE A 23 -2.010 -7.172 -1.967 1.00 0.00 O ATOM 346 CB PHE A 23 0.075 -4.565 -2.584 1.00 0.00 C ATOM 347 CG PHE A 23 0.493 -4.877 -4.010 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.385 -6.187 -4.516 1.00 0.00 C ATOM 349 CD2 PHE A 23 1.002 -3.856 -4.836 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.788 -6.475 -5.832 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.405 -4.143 -6.153 1.00 0.00 C ATOM 352 CZ PHE A 23 1.299 -5.453 -6.651 1.00 0.00 C ATOM 0 H PHE A 23 -1.795 -3.664 -0.604 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.941 -5.060 -3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.260 -3.509 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.709 -5.132 -1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.009 -6.974 -3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.083 -2.848 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.705 -7.482 -6.214 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.796 -3.356 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.610 -5.674 -7.661 1.00 0.00 H new ATOM 362 N ARG A 24 -1.195 -6.124 -0.136 1.00 0.00 N ATOM 363 CA ARG A 24 -1.327 -7.206 0.873 1.00 0.00 C ATOM 364 C ARG A 24 -0.951 -8.627 0.395 1.00 0.00 C ATOM 365 O ARG A 24 -1.558 -9.618 0.802 1.00 0.00 O ATOM 366 CB ARG A 24 -2.683 -7.080 1.615 1.00 0.00 C ATOM 367 CG ARG A 24 -3.973 -6.980 0.779 1.00 0.00 C ATOM 368 CD ARG A 24 -4.374 -8.267 0.051 1.00 0.00 C ATOM 369 NE ARG A 24 -5.615 -8.070 -0.722 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.733 -7.766 -2.001 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.710 -7.593 -2.791 1.00 0.00 N ATOM 372 NH2 ARG A 24 -6.923 -7.623 -2.500 1.00 0.00 N ATOM 0 H ARG A 24 -0.792 -5.280 0.272 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.542 -7.047 1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.781 -7.943 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.631 -6.197 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.791 -6.681 1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.850 -6.187 0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.570 -8.577 -0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.515 -9.070 0.775 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.487 -8.182 -0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.762 -7.692 -2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.858 -7.359 -3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.743 -7.745 -1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.038 -7.388 -3.486 1.00 0.00 H new ATOM 386 N LEU A 25 0.051 -8.718 -0.484 1.00 0.00 N ATOM 387 CA LEU A 25 0.458 -9.937 -1.201 1.00 0.00 C ATOM 388 C LEU A 25 1.068 -11.034 -0.303 1.00 0.00 C ATOM 389 O LEU A 25 0.934 -12.222 -0.601 1.00 0.00 O ATOM 390 CB LEU A 25 1.464 -9.508 -2.288 1.00 0.00 C ATOM 391 CG LEU A 25 1.959 -10.623 -3.230 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.817 -11.279 -4.012 1.00 0.00 C ATOM 393 CD2 LEU A 25 2.947 -10.032 -4.236 1.00 0.00 C ATOM 0 H LEU A 25 0.627 -7.912 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.436 -10.396 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.004 -8.727 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.330 -9.063 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 25 2.429 -11.384 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.220 -12.057 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.105 -11.720 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.312 -10.527 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.300 -10.818 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.452 -9.255 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.795 -9.601 -3.703 1.00 0.00 H new HETATM 405 N NLE A 26 1.743 -10.636 0.778 1.00 0.00 N HETATM 406 CA NLE A 26 2.529 -11.501 1.668 1.00 0.00 C HETATM 407 C NLE A 26 2.515 -10.979 3.113 1.00 0.00 C HETATM 408 O NLE A 26 2.330 -9.783 3.346 1.00 0.00 O HETATM 409 CB NLE A 26 3.966 -11.633 1.122 1.00 0.00 C HETATM 410 CG NLE A 26 4.702 -10.289 0.939 1.00 0.00 C HETATM 411 CD NLE A 26 6.148 -10.443 0.443 1.00 0.00 C HETATM 412 CE NLE A 26 6.257 -11.053 -0.960 1.00 0.00 C HETATM 0 HG3 NLE A 26 4.147 -9.674 0.231 1.00 0.00 H new HETATM 0 HG2 NLE A 26 4.707 -9.755 1.889 1.00 0.00 H new HETATM 0 HE3 NLE A 26 5.806 -12.046 -0.961 1.00 0.00 H new HETATM 0 HE2 NLE A 26 5.735 -10.417 -1.675 1.00 0.00 H new HETATM 0 HE1 NLE A 26 7.307 -11.131 -1.242 1.00 0.00 H new HETATM 0 HD3 NLE A 26 6.629 -9.465 0.443 1.00 0.00 H new HETATM 0 HD2 NLE A 26 6.699 -11.069 1.145 1.00 0.00 H new HETATM 0 HB3 NLE A 26 4.544 -12.261 1.801 1.00 0.00 H new HETATM 0 HB2 NLE A 26 3.932 -12.149 0.162 1.00 0.00 H new HETATM 0 HA NLE A 26 2.074 -12.491 1.691 1.00 0.00 H new HETATM 0 H NLE A 26 1.276 -9.810 1.152 1.00 0.00 H new ATOM 424 N GLY A 27 2.701 -11.883 4.081 1.00 0.00 N ATOM 425 CA GLY A 27 2.404 -11.617 5.496 1.00 0.00 C ATOM 426 C GLY A 27 3.229 -12.384 6.533 1.00 0.00 C ATOM 427 O GLY A 27 2.859 -12.393 7.708 1.00 0.00 O ATOM 0 H GLY A 27 3.062 -12.821 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.539 -10.551 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.351 -11.839 5.669 1.00 0.00 H new ATOM 431 N ALA A 28 4.335 -13.023 6.135 1.00 0.00 N ATOM 432 CA ALA A 28 5.217 -13.755 7.053 1.00 0.00 C ATOM 433 C ALA A 28 5.876 -12.856 8.127 1.00 0.00 C ATOM 434 O ALA A 28 6.128 -13.316 9.245 1.00 0.00 O ATOM 435 CB ALA A 28 6.279 -14.483 6.219 1.00 0.00 C ATOM 0 H ALA A 28 4.645 -13.047 5.164 1.00 0.00 H new ATOM 0 HA ALA A 28 4.608 -14.466 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.947 -15.034 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.791 -15.177 5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.855 -13.755 5.647 1.00 0.00 H new ATOM 441 N SER A 29 6.121 -11.579 7.797 1.00 0.00 N ATOM 442 CA SER A 29 6.884 -10.619 8.622 1.00 0.00 C ATOM 443 C SER A 29 6.369 -9.165 8.522 1.00 0.00 C ATOM 444 O SER A 29 7.109 -8.228 8.833 1.00 0.00 O ATOM 445 CB SER A 29 8.376 -10.666 8.232 1.00 0.00 C ATOM 446 OG SER A 29 8.919 -11.976 8.333 1.00 0.00 O ATOM 0 H SER A 29 5.786 -11.170 6.925 1.00 0.00 H new ATOM 0 HA SER A 29 6.745 -10.927 9.658 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.494 -10.304 7.211 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.939 -9.991 8.876 1.00 0.00 H new ATOM 0 HG SER A 29 9.864 -11.959 8.075 1.00 0.00 H new ATOM 452 N GLY A 30 5.126 -8.938 8.068 1.00 0.00 N ATOM 453 CA GLY A 30 4.595 -7.585 7.821 1.00 0.00 C ATOM 454 C GLY A 30 3.068 -7.478 7.645 1.00 0.00 C ATOM 455 O GLY A 30 2.366 -8.497 7.621 1.00 0.00 O ATOM 0 H GLY A 30 4.461 -9.684 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.890 -6.944 8.651 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.072 -7.187 6.925 1.00 0.00 H new ATOM 459 N PRO A 31 2.535 -6.242 7.538 1.00 0.00 N ATOM 460 CA PRO A 31 1.095 -5.965 7.518 1.00 0.00 C ATOM 461 C PRO A 31 0.417 -6.495 6.245 1.00 0.00 C ATOM 462 O PRO A 31 0.901 -6.277 5.133 1.00 0.00 O ATOM 463 CB PRO A 31 0.975 -4.439 7.639 1.00 0.00 C ATOM 464 CG PRO A 31 2.288 -3.919 7.058 1.00 0.00 C ATOM 465 CD PRO A 31 3.291 -4.998 7.461 1.00 0.00 C ATOM 0 HA PRO A 31 0.582 -6.475 8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.116 -4.061 7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.847 -4.129 8.676 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.233 -3.803 5.976 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.555 -2.946 7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.096 -5.075 6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.753 -4.762 8.420 1.00 0.00 H new ATOM 473 N ASN A 32 -0.707 -7.201 6.412 1.00 0.00 N ATOM 474 CA ASN A 32 -1.412 -7.891 5.317 1.00 0.00 C ATOM 475 C ASN A 32 -2.923 -8.138 5.563 1.00 0.00 C ATOM 476 O ASN A 32 -3.550 -8.895 4.820 1.00 0.00 O ATOM 477 CB ASN A 32 -0.658 -9.206 5.016 1.00 0.00 C ATOM 478 CG ASN A 32 -0.779 -10.255 6.109 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.551 -11.199 6.015 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.018 -10.149 7.175 1.00 0.00 N ATOM 0 H ASN A 32 -1.160 -7.313 7.319 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.402 -7.228 4.452 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.036 -9.624 4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.397 -8.980 4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.075 -10.850 7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.629 -9.366 7.264 1.00 0.00 H new ATOM 487 N LYS A 33 -3.520 -7.528 6.602 1.00 0.00 N ATOM 488 CA LYS A 33 -4.866 -7.866 7.130 1.00 0.00 C ATOM 489 C LYS A 33 -5.903 -6.741 6.958 1.00 0.00 C ATOM 490 O LYS A 33 -6.878 -6.664 7.710 1.00 0.00 O ATOM 491 CB LYS A 33 -4.748 -8.346 8.595 1.00 0.00 C ATOM 492 CG LYS A 33 -3.852 -9.577 8.823 1.00 0.00 C ATOM 493 CD LYS A 33 -4.260 -10.793 7.977 1.00 0.00 C ATOM 494 CE LYS A 33 -3.458 -12.032 8.393 1.00 0.00 C ATOM 495 NZ LYS A 33 -3.381 -13.019 7.285 1.00 0.00 N ATOM 0 H LYS A 33 -3.074 -6.767 7.115 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.256 -8.684 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.364 -7.523 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.748 -8.573 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.820 -9.313 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.884 -9.850 9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.326 -10.986 8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.092 -10.581 6.921 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.452 -11.735 8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.923 -12.494 9.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.032 -13.927 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.327 -13.153 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.731 -12.669 6.553 1.00 0.00 H new ATOM 509 N LYS A 34 -5.700 -5.870 5.963 1.00 0.00 N ATOM 510 CA LYS A 34 -6.595 -4.762 5.574 1.00 0.00 C ATOM 511 C LYS A 34 -6.717 -4.686 4.047 1.00 0.00 C ATOM 512 O LYS A 34 -5.892 -5.250 3.332 1.00 0.00 O ATOM 513 CB LYS A 34 -6.057 -3.431 6.136 1.00 0.00 C ATOM 514 CG LYS A 34 -5.915 -3.404 7.667 1.00 0.00 C ATOM 515 CD LYS A 34 -5.529 -1.996 8.150 1.00 0.00 C ATOM 516 CE LYS A 34 -5.061 -1.975 9.614 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.123 -2.398 10.566 1.00 0.00 N ATOM 0 H LYS A 34 -4.868 -5.917 5.375 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.586 -4.946 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.084 -3.228 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.723 -2.625 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.854 -3.709 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.157 -4.122 7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.735 -1.604 7.514 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.385 -1.331 8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.198 -2.632 9.724 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.730 -0.969 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.752 -2.365 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.938 -1.757 10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.423 -3.369 10.343 1.00 0.00 H new ATOM 531 N GLU A 35 -7.720 -3.964 3.546 1.00 0.00 N ATOM 532 CA GLU A 35 -7.941 -3.704 2.111 1.00 0.00 C ATOM 533 C GLU A 35 -8.475 -2.275 1.874 1.00 0.00 C ATOM 534 O GLU A 35 -9.003 -1.640 2.792 1.00 0.00 O ATOM 535 CB GLU A 35 -8.907 -4.742 1.501 1.00 0.00 C ATOM 536 CG GLU A 35 -8.345 -6.173 1.516 1.00 0.00 C ATOM 537 CD GLU A 35 -9.173 -7.137 0.648 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.599 -7.720 -0.306 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.383 -7.334 0.919 1.00 0.00 O ATOM 0 H GLU A 35 -8.426 -3.528 4.140 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.976 -3.794 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.847 -4.722 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.134 -4.458 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.315 -6.160 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.322 -6.541 2.542 1.00 0.00 H new ATOM 546 N SER A 36 -8.330 -1.768 0.643 1.00 0.00 N ATOM 547 CA SER A 36 -8.705 -0.398 0.233 1.00 0.00 C ATOM 548 C SER A 36 -10.195 -0.066 0.428 1.00 0.00 C ATOM 549 O SER A 36 -11.060 -0.937 0.304 1.00 0.00 O ATOM 550 CB SER A 36 -8.341 -0.165 -1.241 1.00 0.00 C ATOM 551 OG SER A 36 -6.956 -0.375 -1.470 1.00 0.00 O ATOM 0 H SER A 36 -7.936 -2.313 -0.124 1.00 0.00 H new ATOM 0 HA SER A 36 -8.140 0.263 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.922 -0.838 -1.872 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.609 0.852 -1.528 1.00 0.00 H new ATOM 0 HG SER A 36 -6.754 -0.221 -2.417 1.00 0.00 H new ATOM 557 N ARG A 37 -10.497 1.220 0.678 1.00 0.00 N ATOM 558 CA ARG A 37 -11.843 1.775 0.961 1.00 0.00 C ATOM 559 C ARG A 37 -12.065 3.126 0.256 1.00 0.00 C ATOM 560 O ARG A 37 -11.122 3.722 -0.271 1.00 0.00 O ATOM 561 CB ARG A 37 -12.032 1.943 2.491 1.00 0.00 C ATOM 562 CG ARG A 37 -11.791 0.686 3.345 1.00 0.00 C ATOM 563 CD ARG A 37 -12.784 -0.448 3.056 1.00 0.00 C ATOM 564 NE ARG A 37 -12.296 -1.731 3.596 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.801 -2.928 3.355 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.866 -3.101 2.625 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.239 -3.991 3.856 1.00 0.00 N ATOM 0 H ARG A 37 -9.776 1.941 0.690 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.580 1.072 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.357 2.727 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.048 2.293 2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.778 0.325 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.855 0.955 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.752 -0.209 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.936 -0.537 1.980 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.488 -1.690 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.341 -2.296 2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.225 -4.042 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.406 -3.901 4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.632 -4.913 3.667 1.00 0.00 H new ATOM 581 N GLY A 38 -13.303 3.625 0.275 1.00 0.00 N ATOM 582 CA GLY A 38 -13.691 4.928 -0.287 1.00 0.00 C ATOM 583 C GLY A 38 -15.147 5.318 0.005 1.00 0.00 C ATOM 584 O GLY A 38 -15.910 4.532 0.577 1.00 0.00 O ATOM 0 H GLY A 38 -14.087 3.123 0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.031 5.697 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.539 4.908 -1.366 1.00 0.00 H new ATOM 588 N ARG A 39 -15.531 6.542 -0.389 1.00 0.00 N ATOM 589 CA ARG A 39 -16.848 7.169 -0.107 1.00 0.00 C ATOM 590 C ARG A 39 -17.508 7.841 -1.330 1.00 0.00 C ATOM 591 O ARG A 39 -18.516 8.535 -1.183 1.00 0.00 O ATOM 592 CB ARG A 39 -16.696 8.163 1.067 1.00 0.00 C ATOM 593 CG ARG A 39 -16.397 7.477 2.410 1.00 0.00 C ATOM 594 CD ARG A 39 -16.318 8.511 3.540 1.00 0.00 C ATOM 595 NE ARG A 39 -16.139 7.860 4.853 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.907 8.460 6.008 1.00 0.00 C ATOM 597 NH1 ARG A 39 -15.781 9.754 6.107 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.797 7.763 7.103 1.00 0.00 N ATOM 0 H ARG A 39 -14.918 7.150 -0.932 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.531 6.365 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.893 8.864 0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.612 8.746 1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.175 6.747 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.456 6.931 2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.488 9.193 3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.228 9.111 3.551 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.201 6.842 4.871 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.861 10.339 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.602 10.181 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.890 6.748 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.618 8.233 7.991 1.00 0.00 H new ATOM 612 N GLY A 40 -16.963 7.642 -2.535 1.00 0.00 N ATOM 613 CA GLY A 40 -17.428 8.288 -3.776 1.00 0.00 C ATOM 614 C GLY A 40 -16.997 7.586 -5.073 1.00 0.00 C ATOM 615 O GLY A 40 -16.867 8.225 -6.117 1.00 0.00 O ATOM 0 H GLY A 40 -16.171 7.016 -2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.516 8.342 -3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.058 9.313 -3.795 1.00 0.00 H new HETATM 619 N NH2 A 41 -16.732 6.284 -5.037 1.00 0.00 N TER 622 NH2 A 41