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 Single : A 1 VAL N :NH3+ -176:sc=-0.000642 (180deg=-0.0104) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 78:sc= 1.08 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 32 ASN : amide:sc= 0.532 K(o=0.53,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 58:sc= 0.0992 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.389 8.936 -6.547 1.00 0.00 N ATOM 2 CA VAL A 1 16.963 8.214 -5.312 1.00 0.00 C ATOM 3 C VAL A 1 17.848 8.579 -4.117 1.00 0.00 C ATOM 4 O VAL A 1 18.989 9.006 -4.296 1.00 0.00 O ATOM 5 CB VAL A 1 16.895 6.678 -5.489 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.725 6.279 -6.397 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.183 6.045 -6.038 1.00 0.00 C ATOM 0 H1 VAL A 1 16.729 8.719 -7.321 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.388 9.960 -6.368 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.347 8.632 -6.814 1.00 0.00 H new ATOM 0 HA VAL A 1 15.946 8.550 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 1 16.751 6.291 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.701 5.195 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.789 6.621 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.853 6.738 -7.378 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.048 4.967 -6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.408 6.468 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 1 19.008 6.250 -5.356 1.00 0.00 H new ATOM 19 N VAL A 2 17.328 8.409 -2.893 1.00 0.00 N ATOM 20 CA VAL A 2 17.992 8.775 -1.614 1.00 0.00 C ATOM 21 C VAL A 2 17.949 7.636 -0.575 1.00 0.00 C ATOM 22 O VAL A 2 18.045 7.876 0.628 1.00 0.00 O ATOM 23 CB VAL A 2 17.410 10.090 -1.037 1.00 0.00 C ATOM 24 CG1 VAL A 2 17.614 11.272 -1.992 1.00 0.00 C ATOM 25 CG2 VAL A 2 15.912 9.999 -0.700 1.00 0.00 C ATOM 0 H VAL A 2 16.404 8.000 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 2 19.044 8.943 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 2 17.964 10.253 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.192 12.174 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.680 11.418 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.116 11.065 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.570 10.954 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.350 9.761 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.753 9.217 0.043 1.00 0.00 H new ATOM 35 N PHE A 3 17.739 6.392 -1.026 1.00 0.00 N ATOM 36 CA PHE A 3 17.419 5.214 -0.198 1.00 0.00 C ATOM 37 C PHE A 3 16.310 5.478 0.852 1.00 0.00 C ATOM 38 O PHE A 3 16.339 4.975 1.976 1.00 0.00 O ATOM 39 CB PHE A 3 18.723 4.599 0.353 1.00 0.00 C ATOM 40 CG PHE A 3 18.630 3.210 0.974 1.00 0.00 C ATOM 41 CD1 PHE A 3 19.420 2.901 2.100 1.00 0.00 C ATOM 42 CD2 PHE A 3 17.804 2.206 0.421 1.00 0.00 C ATOM 43 CE1 PHE A 3 19.376 1.618 2.675 1.00 0.00 C ATOM 44 CE2 PHE A 3 17.751 0.926 1.004 1.00 0.00 C ATOM 45 CZ PHE A 3 18.536 0.631 2.130 1.00 0.00 C ATOM 0 H PHE A 3 17.789 6.166 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 3 16.958 4.454 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.447 4.557 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.126 5.279 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 3 20.065 3.656 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 3 17.210 2.422 -0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.988 1.391 3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 3 17.105 0.169 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.495 -0.352 2.576 1.00 0.00 H new ATOM 55 N TYR A 4 15.316 6.286 0.454 1.00 0.00 N ATOM 56 CA TYR A 4 14.070 6.589 1.176 1.00 0.00 C ATOM 57 C TYR A 4 14.226 7.138 2.610 1.00 0.00 C ATOM 58 O TYR A 4 13.300 7.024 3.417 1.00 0.00 O ATOM 59 CB TYR A 4 13.127 5.374 1.077 1.00 0.00 C ATOM 60 CG TYR A 4 12.912 4.895 -0.348 1.00 0.00 C ATOM 61 CD1 TYR A 4 12.076 5.628 -1.214 1.00 0.00 C ATOM 62 CD2 TYR A 4 13.588 3.753 -0.823 1.00 0.00 C ATOM 63 CE1 TYR A 4 11.921 5.224 -2.555 1.00 0.00 C ATOM 64 CE2 TYR A 4 13.436 3.347 -2.164 1.00 0.00 C ATOM 65 CZ TYR A 4 12.603 4.084 -3.035 1.00 0.00 C ATOM 66 OH TYR A 4 12.454 3.707 -4.335 1.00 0.00 O ATOM 0 H TYR A 4 15.364 6.777 -0.439 1.00 0.00 H new ATOM 0 HA TYR A 4 13.620 7.445 0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.536 4.556 1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.163 5.634 1.515 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.554 6.500 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.224 3.188 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.280 5.787 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 4 13.956 2.472 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 4 12.990 2.905 -4.506 1.00 0.00 H new ATOM 76 N VAL A 5 15.365 7.763 2.943 1.00 0.00 N ATOM 77 CA VAL A 5 15.645 8.314 4.288 1.00 0.00 C ATOM 78 C VAL A 5 14.578 9.295 4.797 1.00 0.00 C ATOM 79 O VAL A 5 14.249 9.274 5.983 1.00 0.00 O ATOM 80 CB VAL A 5 17.043 8.966 4.379 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.145 7.912 4.223 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.275 10.091 3.358 1.00 0.00 C ATOM 0 H VAL A 5 16.129 7.904 2.283 1.00 0.00 H new ATOM 0 HA VAL A 5 15.618 7.444 4.944 1.00 0.00 H new ATOM 0 HB VAL A 5 17.085 9.419 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.121 8.393 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.052 7.168 5.014 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.047 7.424 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.278 10.497 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.171 9.693 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.541 10.881 3.514 1.00 0.00 H new ATOM 92 N ALA A 6 13.996 10.116 3.914 1.00 0.00 N ATOM 93 CA ALA A 6 12.908 11.033 4.260 1.00 0.00 C ATOM 94 C ALA A 6 11.583 10.286 4.500 1.00 0.00 C ATOM 95 O ALA A 6 10.963 10.447 5.551 1.00 0.00 O ATOM 96 CB ALA A 6 12.773 12.075 3.141 1.00 0.00 C ATOM 0 H ALA A 6 14.270 10.161 2.933 1.00 0.00 H new ATOM 0 HA ALA A 6 13.146 11.534 5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.966 12.767 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.708 12.628 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.549 11.572 2.200 1.00 0.00 H new ATOM 102 N LEU A 7 11.175 9.415 3.569 1.00 0.00 N ATOM 103 CA LEU A 7 9.940 8.621 3.662 1.00 0.00 C ATOM 104 C LEU A 7 9.919 7.779 4.951 1.00 0.00 C ATOM 105 O LEU A 7 8.931 7.756 5.683 1.00 0.00 O ATOM 106 CB LEU A 7 9.827 7.759 2.385 1.00 0.00 C ATOM 107 CG LEU A 7 8.401 7.349 1.961 1.00 0.00 C ATOM 108 CD1 LEU A 7 8.479 6.604 0.626 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.679 6.433 2.951 1.00 0.00 C ATOM 0 H LEU A 7 11.702 9.238 2.714 1.00 0.00 H new ATOM 0 HA LEU A 7 9.070 9.274 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.285 8.306 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.414 6.853 2.531 1.00 0.00 H new ATOM 0 HG LEU A 7 7.832 8.277 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.477 6.309 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.916 7.257 -0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.100 5.716 0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.685 6.197 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.248 5.512 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.589 6.937 3.913 1.00 0.00 H new ATOM 121 N THR A 8 11.052 7.157 5.281 1.00 0.00 N ATOM 122 CA THR A 8 11.244 6.313 6.477 1.00 0.00 C ATOM 123 C THR A 8 11.189 7.100 7.804 1.00 0.00 C ATOM 124 O THR A 8 11.042 6.489 8.864 1.00 0.00 O ATOM 125 CB THR A 8 12.558 5.508 6.355 1.00 0.00 C ATOM 126 OG1 THR A 8 12.641 4.886 5.087 1.00 0.00 O ATOM 127 CG2 THR A 8 12.686 4.352 7.352 1.00 0.00 C ATOM 0 H THR A 8 11.893 7.225 4.708 1.00 0.00 H new ATOM 0 HA THR A 8 10.401 5.623 6.513 1.00 0.00 H new ATOM 0 HB THR A 8 13.336 6.249 6.538 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.901 5.549 4.414 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.636 3.841 7.197 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.646 4.742 8.369 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.867 3.649 7.201 1.00 0.00 H new ATOM 135 N ALA A 9 11.240 8.442 7.778 1.00 0.00 N ATOM 136 CA ALA A 9 11.328 9.291 8.974 1.00 0.00 C ATOM 137 C ALA A 9 10.231 10.373 9.043 1.00 0.00 C ATOM 138 O ALA A 9 9.334 10.273 9.883 1.00 0.00 O ATOM 139 CB ALA A 9 12.742 9.887 9.034 1.00 0.00 C ATOM 0 H ALA A 9 11.221 8.975 6.909 1.00 0.00 H new ATOM 0 HA ALA A 9 11.148 8.674 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.832 10.522 9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.474 9.082 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.925 10.481 8.138 1.00 0.00 H new ATOM 145 N VAL A 10 10.247 11.379 8.157 1.00 0.00 N ATOM 146 CA VAL A 10 9.250 12.477 8.143 1.00 0.00 C ATOM 147 C VAL A 10 7.879 12.061 7.586 1.00 0.00 C ATOM 148 O VAL A 10 6.903 12.794 7.758 1.00 0.00 O ATOM 149 CB VAL A 10 9.766 13.749 7.436 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.934 14.366 8.217 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.214 13.531 5.987 1.00 0.00 C ATOM 0 H VAL A 10 10.952 11.461 7.424 1.00 0.00 H new ATOM 0 HA VAL A 10 9.101 12.720 9.195 1.00 0.00 H new ATOM 0 HB VAL A 10 8.908 14.421 7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.283 15.261 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.601 14.631 9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.749 13.645 8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.561 14.475 5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.025 12.803 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.375 13.159 5.399 1.00 0.00 H new HETATM 161 N NLE A 11 7.784 10.864 6.992 1.00 0.00 N HETATM 162 CA NLE A 11 6.529 10.195 6.604 1.00 0.00 C HETATM 163 C NLE A 11 6.392 8.801 7.256 1.00 0.00 C HETATM 164 O NLE A 11 5.623 7.967 6.780 1.00 0.00 O HETATM 165 CB NLE A 11 6.386 10.133 5.071 1.00 0.00 C HETATM 166 CG NLE A 11 6.447 11.510 4.385 1.00 0.00 C HETATM 167 CD NLE A 11 6.317 11.435 2.855 1.00 0.00 C HETATM 168 CE NLE A 11 4.953 10.928 2.372 1.00 0.00 C HETATM 0 HG3 NLE A 11 5.650 12.140 4.780 1.00 0.00 H new HETATM 0 HG2 NLE A 11 7.391 11.993 4.639 1.00 0.00 H new HETATM 0 HE3 NLE A 11 4.780 9.924 2.760 1.00 0.00 H new HETATM 0 HE2 NLE A 11 4.169 11.596 2.730 1.00 0.00 H new HETATM 0 HE1 NLE A 11 4.939 10.903 1.282 1.00 0.00 H new HETATM 0 HD3 NLE A 11 6.495 12.425 2.436 1.00 0.00 H new HETATM 0 HD2 NLE A 11 7.096 10.780 2.466 1.00 0.00 H new HETATM 0 HB3 NLE A 11 7.177 9.501 4.667 1.00 0.00 H new HETATM 0 HB2 NLE A 11 5.438 9.656 4.823 1.00 0.00 H new HETATM 0 HA NLE A 11 5.704 10.797 6.985 1.00 0.00 H new ATOM 180 N VAL A 12 7.125 8.553 8.352 1.00 0.00 N ATOM 181 CA VAL A 12 7.062 7.363 9.233 1.00 0.00 C ATOM 182 C VAL A 12 6.930 5.999 8.523 1.00 0.00 C ATOM 183 O VAL A 12 6.232 5.098 8.994 1.00 0.00 O ATOM 184 CB VAL A 12 6.036 7.559 10.377 1.00 0.00 C ATOM 185 CG1 VAL A 12 6.424 8.752 11.262 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.589 7.765 9.904 1.00 0.00 C ATOM 0 H VAL A 12 7.827 9.220 8.673 1.00 0.00 H new ATOM 0 HA VAL A 12 8.055 7.299 9.678 1.00 0.00 H new ATOM 0 HB VAL A 12 6.068 6.624 10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.688 8.869 12.058 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.407 8.576 11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.453 9.659 10.658 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.938 7.894 10.769 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.535 8.653 9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.265 6.895 9.333 1.00 0.00 H new ATOM 196 N ALA A 13 7.609 5.839 7.380 1.00 0.00 N ATOM 197 CA ALA A 13 7.576 4.652 6.516 1.00 0.00 C ATOM 198 C ALA A 13 6.164 4.258 6.014 1.00 0.00 C ATOM 199 O ALA A 13 5.878 3.077 5.805 1.00 0.00 O ATOM 200 CB ALA A 13 8.343 3.501 7.192 1.00 0.00 C ATOM 0 H ALA A 13 8.224 6.566 7.016 1.00 0.00 H new ATOM 0 HA ALA A 13 8.090 4.907 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.318 2.621 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.378 3.801 7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.877 3.266 8.149 1.00 0.00 H new ATOM 206 N VAL A 14 5.275 5.242 5.801 1.00 0.00 N ATOM 207 CA VAL A 14 3.875 5.065 5.353 1.00 0.00 C ATOM 208 C VAL A 14 3.697 4.113 4.162 1.00 0.00 C ATOM 209 O VAL A 14 2.695 3.404 4.100 1.00 0.00 O ATOM 210 CB VAL A 14 3.207 6.435 5.092 1.00 0.00 C ATOM 211 CG1 VAL A 14 3.826 7.202 3.915 1.00 0.00 C ATOM 212 CG2 VAL A 14 1.696 6.320 4.862 1.00 0.00 C ATOM 0 H VAL A 14 5.517 6.223 5.940 1.00 0.00 H new ATOM 0 HA VAL A 14 3.364 4.570 6.178 1.00 0.00 H new ATOM 0 HB VAL A 14 3.391 6.999 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.309 8.153 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.881 7.386 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.727 6.612 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.279 7.311 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.507 5.686 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.226 5.881 5.742 1.00 0.00 H new ATOM 222 N ALA A 15 4.675 4.021 3.255 1.00 0.00 N ATOM 223 CA ALA A 15 4.661 3.101 2.114 1.00 0.00 C ATOM 224 C ALA A 15 4.487 1.616 2.509 1.00 0.00 C ATOM 225 O ALA A 15 3.810 0.878 1.792 1.00 0.00 O ATOM 226 CB ALA A 15 5.945 3.317 1.305 1.00 0.00 C ATOM 0 H ALA A 15 5.516 4.597 3.295 1.00 0.00 H new ATOM 0 HA ALA A 15 3.783 3.330 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.954 2.641 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.984 4.348 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.811 3.116 1.936 1.00 0.00 H new ATOM 232 N LEU A 16 5.032 1.179 3.653 1.00 0.00 N ATOM 233 CA LEU A 16 4.839 -0.178 4.188 1.00 0.00 C ATOM 234 C LEU A 16 3.370 -0.429 4.567 1.00 0.00 C ATOM 235 O LEU A 16 2.772 -1.430 4.170 1.00 0.00 O ATOM 236 CB LEU A 16 5.769 -0.355 5.408 1.00 0.00 C ATOM 237 CG LEU A 16 5.621 -1.692 6.162 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.947 -2.902 5.284 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.560 -1.705 7.368 1.00 0.00 C ATOM 0 H LEU A 16 5.626 1.764 4.240 1.00 0.00 H new ATOM 0 HA LEU A 16 5.092 -0.911 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.802 -0.258 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.582 0.460 6.107 1.00 0.00 H new ATOM 0 HG LEU A 16 4.579 -1.768 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.827 -3.816 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.271 -2.924 4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.976 -2.829 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.455 -2.650 7.901 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.590 -1.592 7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.306 -0.882 8.036 1.00 0.00 H new ATOM 251 N TYR A 17 2.781 0.505 5.316 1.00 0.00 N ATOM 252 CA TYR A 17 1.394 0.440 5.782 1.00 0.00 C ATOM 253 C TYR A 17 0.390 0.572 4.627 1.00 0.00 C ATOM 254 O TYR A 17 -0.626 -0.127 4.610 1.00 0.00 O ATOM 255 CB TYR A 17 1.178 1.518 6.855 1.00 0.00 C ATOM 256 CG TYR A 17 2.113 1.379 8.048 1.00 0.00 C ATOM 257 CD1 TYR A 17 1.773 0.526 9.116 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.343 2.068 8.071 1.00 0.00 C ATOM 259 CE1 TYR A 17 2.661 0.358 10.198 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.232 1.907 9.151 1.00 0.00 C ATOM 261 CZ TYR A 17 3.893 1.047 10.218 1.00 0.00 C ATOM 262 OH TYR A 17 4.745 0.878 11.267 1.00 0.00 O ATOM 0 H TYR A 17 3.267 1.348 5.623 1.00 0.00 H new ATOM 0 HA TYR A 17 1.214 -0.542 6.220 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.318 2.501 6.405 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.146 1.471 7.204 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.830 -0.000 9.106 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.605 2.724 7.254 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.398 -0.299 11.014 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.171 2.440 9.163 1.00 0.00 H new ATOM 0 HH TYR A 17 5.548 1.421 11.127 1.00 0.00 H new ATOM 272 N ALA A 18 0.704 1.402 3.625 1.00 0.00 N ATOM 273 CA ALA A 18 -0.041 1.502 2.374 1.00 0.00 C ATOM 274 C ALA A 18 0.014 0.192 1.572 1.00 0.00 C ATOM 275 O ALA A 18 -1.035 -0.361 1.246 1.00 0.00 O ATOM 276 CB ALA A 18 0.505 2.688 1.567 1.00 0.00 C ATOM 0 H ALA A 18 1.502 2.035 3.667 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.094 1.675 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.044 2.773 0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.385 3.606 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.562 2.528 1.355 1.00 0.00 H new ATOM 282 N TYR A 19 1.203 -0.370 1.311 1.00 0.00 N ATOM 283 CA TYR A 19 1.348 -1.662 0.621 1.00 0.00 C ATOM 284 C TYR A 19 0.576 -2.786 1.335 1.00 0.00 C ATOM 285 O TYR A 19 -0.083 -3.599 0.687 1.00 0.00 O ATOM 286 CB TYR A 19 2.836 -2.009 0.472 1.00 0.00 C ATOM 287 CG TYR A 19 3.107 -3.198 -0.433 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.172 -4.503 0.099 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.292 -2.994 -1.816 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.417 -5.600 -0.749 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.543 -4.089 -2.666 1.00 0.00 C ATOM 292 CZ TYR A 19 3.604 -5.396 -2.135 1.00 0.00 C ATOM 293 OH TYR A 19 3.841 -6.460 -2.948 1.00 0.00 O ATOM 0 H TYR A 19 2.092 0.057 1.572 1.00 0.00 H new ATOM 0 HA TYR A 19 0.909 -1.569 -0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.363 -1.140 0.080 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.251 -2.215 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.034 -4.661 1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.241 -1.996 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.462 -6.598 -0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.689 -3.929 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 19 3.946 -6.149 -3.871 1.00 0.00 H new ATOM 303 N GLY A 20 0.554 -2.767 2.671 1.00 0.00 N ATOM 304 CA GLY A 20 -0.206 -3.688 3.522 1.00 0.00 C ATOM 305 C GLY A 20 -1.740 -3.644 3.412 1.00 0.00 C ATOM 306 O GLY A 20 -2.406 -4.411 4.110 1.00 0.00 O ATOM 0 H GLY A 20 1.085 -2.084 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.120 -4.703 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.064 -3.490 4.559 1.00 0.00 H new ATOM 310 N LEU A 21 -2.312 -2.786 2.552 1.00 0.00 N ATOM 311 CA LEU A 21 -3.748 -2.767 2.215 1.00 0.00 C ATOM 312 C LEU A 21 -4.069 -2.372 0.755 1.00 0.00 C ATOM 313 O LEU A 21 -5.178 -2.630 0.280 1.00 0.00 O ATOM 314 CB LEU A 21 -4.496 -1.915 3.261 1.00 0.00 C ATOM 315 CG LEU A 21 -4.165 -0.408 3.298 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.076 0.403 2.371 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.361 0.130 4.718 1.00 0.00 C ATOM 0 H LEU A 21 -1.779 -2.069 2.060 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.111 -3.794 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.566 -2.023 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.292 -2.332 4.247 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.131 -0.302 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.808 1.458 2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.955 0.054 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.114 0.275 2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.126 1.194 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.396 -0.019 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.700 -0.401 5.403 1.00 0.00 H new HETATM 329 N ABA A 22 -3.109 -1.803 0.020 1.00 0.00 N HETATM 330 CA ABA A 22 -3.175 -1.571 -1.432 1.00 0.00 C HETATM 331 C ABA A 22 -2.673 -2.781 -2.248 1.00 0.00 C HETATM 332 O ABA A 22 -2.990 -2.895 -3.433 1.00 0.00 O HETATM 333 CB ABA A 22 -2.351 -0.322 -1.795 1.00 0.00 C HETATM 334 CG ABA A 22 -2.926 0.968 -1.193 1.00 0.00 C HETATM 0 HG3 ABA A 22 -2.943 0.886 -0.106 1.00 0.00 H new HETATM 0 HG2 ABA A 22 -3.940 1.121 -1.562 1.00 0.00 H new HETATM 0 HG1 ABA A 22 -2.303 1.814 -1.483 1.00 0.00 H new HETATM 0 HB3 ABA A 22 -2.308 -0.223 -2.880 1.00 0.00 H new HETATM 0 HB2 ABA A 22 -1.327 -0.455 -1.447 1.00 0.00 H new HETATM 0 HA ABA A 22 -4.223 -1.420 -1.689 1.00 0.00 H new ATOM 342 N PHE A 23 -1.934 -3.705 -1.617 1.00 0.00 N ATOM 343 CA PHE A 23 -1.418 -4.944 -2.218 1.00 0.00 C ATOM 344 C PHE A 23 -1.638 -6.170 -1.318 1.00 0.00 C ATOM 345 O PHE A 23 -2.101 -7.198 -1.814 1.00 0.00 O ATOM 346 CB PHE A 23 0.082 -4.785 -2.531 1.00 0.00 C ATOM 347 CG PHE A 23 0.392 -4.439 -3.975 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.641 -5.471 -4.901 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.462 -3.096 -4.389 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.960 -5.161 -6.235 1.00 0.00 C ATOM 351 CE2 PHE A 23 0.780 -2.786 -5.724 1.00 0.00 C ATOM 352 CZ PHE A 23 1.030 -3.819 -6.646 1.00 0.00 C ATOM 0 H PHE A 23 -1.669 -3.606 -0.637 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.976 -5.116 -3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.493 -4.007 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.594 -5.713 -2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.587 -6.503 -4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.271 -2.303 -3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.151 -5.954 -6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.832 -1.755 -6.041 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.276 -3.580 -7.670 1.00 0.00 H new ATOM 362 N ARG A 24 -1.339 -6.065 -0.011 1.00 0.00 N ATOM 363 CA ARG A 24 -1.419 -7.135 1.016 1.00 0.00 C ATOM 364 C ARG A 24 -0.918 -8.521 0.555 1.00 0.00 C ATOM 365 O ARG A 24 -1.451 -9.558 0.945 1.00 0.00 O ATOM 366 CB ARG A 24 -2.796 -7.112 1.726 1.00 0.00 C ATOM 367 CG ARG A 24 -4.074 -7.113 0.866 1.00 0.00 C ATOM 368 CD ARG A 24 -4.364 -8.438 0.152 1.00 0.00 C ATOM 369 NE ARG A 24 -5.584 -8.333 -0.671 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.675 -8.171 -1.976 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.640 -8.037 -2.757 1.00 0.00 N ATOM 372 NH2 ARG A 24 -6.856 -8.132 -2.513 1.00 0.00 N ATOM 0 H ARG A 24 -1.016 -5.183 0.386 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.682 -6.901 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.842 -7.978 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.826 -6.226 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.924 -6.865 1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.994 -6.323 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.517 -8.710 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.483 -9.234 0.887 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.468 -8.393 -0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.699 -8.055 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.771 -7.914 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.686 -8.226 -1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.954 -8.008 -3.521 1.00 0.00 H new ATOM 386 N LEU A 25 0.110 -8.519 -0.302 1.00 0.00 N ATOM 387 CA LEU A 25 0.634 -9.694 -1.017 1.00 0.00 C ATOM 388 C LEU A 25 1.406 -10.683 -0.113 1.00 0.00 C ATOM 389 O LEU A 25 1.567 -11.853 -0.463 1.00 0.00 O ATOM 390 CB LEU A 25 1.520 -9.169 -2.168 1.00 0.00 C ATOM 391 CG LEU A 25 1.836 -10.185 -3.284 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.584 -10.590 -4.068 1.00 0.00 C ATOM 393 CD2 LEU A 25 2.825 -9.570 -4.275 1.00 0.00 C ATOM 0 H LEU A 25 0.622 -7.666 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.205 -10.277 -1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.028 -8.306 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.461 -8.816 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 25 2.253 -11.069 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.856 -11.307 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.138 -11.045 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.142 -9.707 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.046 -10.290 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.389 -8.673 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.746 -9.307 -3.754 1.00 0.00 H new HETATM 405 N NLE A 26 1.861 -10.217 1.055 1.00 0.00 N HETATM 406 CA NLE A 26 2.575 -10.971 2.095 1.00 0.00 C HETATM 407 C NLE A 26 2.261 -10.405 3.492 1.00 0.00 C HETATM 408 O NLE A 26 1.751 -9.287 3.607 1.00 0.00 O HETATM 409 CB NLE A 26 4.091 -10.953 1.800 1.00 0.00 C HETATM 410 CG NLE A 26 4.724 -9.547 1.857 1.00 0.00 C HETATM 411 CD NLE A 26 6.233 -9.548 1.567 1.00 0.00 C HETATM 412 CE NLE A 26 6.577 -9.896 0.114 1.00 0.00 C HETATM 0 HG3 NLE A 26 4.223 -8.901 1.136 1.00 0.00 H new HETATM 0 HG2 NLE A 26 4.551 -9.118 2.844 1.00 0.00 H new HETATM 0 HE3 NLE A 26 6.199 -10.891 -0.121 1.00 0.00 H new HETATM 0 HE2 NLE A 26 6.118 -9.167 -0.553 1.00 0.00 H new HETATM 0 HE1 NLE A 26 7.659 -9.878 -0.018 1.00 0.00 H new HETATM 0 HD3 NLE A 26 6.641 -8.565 1.803 1.00 0.00 H new HETATM 0 HD2 NLE A 26 6.722 -10.263 2.229 1.00 0.00 H new HETATM 0 HB3 NLE A 26 4.598 -11.598 2.517 1.00 0.00 H new HETATM 0 HB2 NLE A 26 4.264 -11.378 0.811 1.00 0.00 H new HETATM 0 HA NLE A 26 2.236 -12.007 2.085 1.00 0.00 H new HETATM 0 H NLE A 26 1.258 -9.436 1.314 1.00 0.00 H new ATOM 424 N GLY A 27 2.570 -11.163 4.551 1.00 0.00 N ATOM 425 CA GLY A 27 2.190 -10.810 5.930 1.00 0.00 C ATOM 426 C GLY A 27 3.099 -11.311 7.060 1.00 0.00 C ATOM 427 O GLY A 27 2.818 -11.033 8.226 1.00 0.00 O ATOM 0 H GLY A 27 3.090 -12.038 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.136 -9.723 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.185 -11.191 6.111 1.00 0.00 H new ATOM 431 N ALA A 28 4.193 -12.019 6.756 1.00 0.00 N ATOM 432 CA ALA A 28 5.149 -12.502 7.763 1.00 0.00 C ATOM 433 C ALA A 28 5.982 -11.383 8.437 1.00 0.00 C ATOM 434 O ALA A 28 6.556 -11.605 9.508 1.00 0.00 O ATOM 435 CB ALA A 28 6.063 -13.538 7.095 1.00 0.00 C ATOM 0 H ALA A 28 4.442 -12.275 5.801 1.00 0.00 H new ATOM 0 HA ALA A 28 4.576 -12.948 8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.783 -13.912 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.461 -14.366 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.595 -13.073 6.265 1.00 0.00 H new ATOM 441 N SER A 29 6.039 -10.188 7.830 1.00 0.00 N ATOM 442 CA SER A 29 6.923 -9.074 8.231 1.00 0.00 C ATOM 443 C SER A 29 6.253 -7.687 8.135 1.00 0.00 C ATOM 444 O SER A 29 6.943 -6.665 8.148 1.00 0.00 O ATOM 445 CB SER A 29 8.205 -9.094 7.377 1.00 0.00 C ATOM 446 OG SER A 29 8.869 -10.351 7.437 1.00 0.00 O ATOM 0 H SER A 29 5.457 -9.960 7.024 1.00 0.00 H new ATOM 0 HA SER A 29 7.160 -9.230 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.953 -8.867 6.341 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.881 -8.311 7.720 1.00 0.00 H new ATOM 0 HG SER A 29 9.675 -10.322 6.881 1.00 0.00 H new ATOM 452 N GLY A 30 4.920 -7.620 8.025 1.00 0.00 N ATOM 453 CA GLY A 30 4.179 -6.357 7.899 1.00 0.00 C ATOM 454 C GLY A 30 2.648 -6.504 7.882 1.00 0.00 C ATOM 455 O GLY A 30 2.128 -7.628 7.885 1.00 0.00 O ATOM 0 H GLY A 30 4.321 -8.446 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.458 -5.705 8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.492 -5.859 6.981 1.00 0.00 H new ATOM 459 N PRO A 31 1.909 -5.375 7.867 1.00 0.00 N ATOM 460 CA PRO A 31 0.444 -5.362 7.879 1.00 0.00 C ATOM 461 C PRO A 31 -0.153 -6.048 6.640 1.00 0.00 C ATOM 462 O PRO A 31 0.382 -5.939 5.536 1.00 0.00 O ATOM 463 CB PRO A 31 0.040 -3.886 7.987 1.00 0.00 C ATOM 464 CG PRO A 31 1.259 -3.119 7.473 1.00 0.00 C ATOM 465 CD PRO A 31 2.436 -4.017 7.840 1.00 0.00 C ATOM 0 HA PRO A 31 0.051 -5.934 8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.846 -3.672 7.389 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.196 -3.613 9.015 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.203 -2.953 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.342 -2.139 7.943 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.240 -3.925 7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.851 -3.740 8.809 1.00 0.00 H new ATOM 473 N ASN A 32 -1.255 -6.779 6.841 1.00 0.00 N ATOM 474 CA ASN A 32 -1.869 -7.642 5.815 1.00 0.00 C ATOM 475 C ASN A 32 -3.371 -7.949 6.043 1.00 0.00 C ATOM 476 O ASN A 32 -3.953 -8.757 5.315 1.00 0.00 O ATOM 477 CB ASN A 32 -1.035 -8.939 5.733 1.00 0.00 C ATOM 478 CG ASN A 32 -1.062 -9.759 7.013 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.903 -10.623 7.208 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.152 -9.522 7.932 1.00 0.00 N ATOM 0 H ASN A 32 -1.755 -6.791 7.730 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.854 -7.100 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.408 -9.550 4.911 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.002 -8.683 5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.152 -10.058 8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.554 -8.802 7.777 1.00 0.00 H new ATOM 487 N LYS A 33 -4.009 -7.324 7.046 1.00 0.00 N ATOM 488 CA LYS A 33 -5.370 -7.646 7.536 1.00 0.00 C ATOM 489 C LYS A 33 -6.427 -6.594 7.152 1.00 0.00 C ATOM 490 O LYS A 33 -7.517 -6.560 7.729 1.00 0.00 O ATOM 491 CB LYS A 33 -5.321 -7.887 9.062 1.00 0.00 C ATOM 492 CG LYS A 33 -4.400 -9.036 9.513 1.00 0.00 C ATOM 493 CD LYS A 33 -4.820 -10.403 8.950 1.00 0.00 C ATOM 494 CE LYS A 33 -3.955 -11.511 9.560 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.282 -12.839 8.980 1.00 0.00 N ATOM 0 H LYS A 33 -3.581 -6.553 7.559 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.693 -8.559 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.995 -6.968 9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.332 -8.093 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.379 -8.819 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.396 -9.084 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.871 -10.589 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.716 -10.406 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.902 -11.288 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.104 -11.538 10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.679 -13.566 9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.281 -13.062 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.116 -12.820 7.954 1.00 0.00 H new ATOM 509 N LYS A 34 -6.108 -5.739 6.176 1.00 0.00 N ATOM 510 CA LYS A 34 -6.952 -4.654 5.643 1.00 0.00 C ATOM 511 C LYS A 34 -6.893 -4.632 4.113 1.00 0.00 C ATOM 512 O LYS A 34 -5.970 -5.175 3.508 1.00 0.00 O ATOM 513 CB LYS A 34 -6.486 -3.301 6.220 1.00 0.00 C ATOM 514 CG LYS A 34 -6.679 -3.169 7.738 1.00 0.00 C ATOM 515 CD LYS A 34 -6.216 -1.783 8.220 1.00 0.00 C ATOM 516 CE LYS A 34 -6.260 -1.640 9.748 1.00 0.00 C ATOM 517 NZ LYS A 34 -7.650 -1.614 10.282 1.00 0.00 N ATOM 0 H LYS A 34 -5.203 -5.784 5.707 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.985 -4.830 5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.431 -3.162 5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.032 -2.499 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.729 -3.317 7.992 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.114 -3.947 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.199 -1.603 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.847 -1.017 7.769 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.716 -2.468 10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.746 -0.724 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.622 -1.516 11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.165 -0.809 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.135 -2.499 10.031 1.00 0.00 H new ATOM 531 N GLU A 35 -7.861 -3.964 3.492 1.00 0.00 N ATOM 532 CA GLU A 35 -7.931 -3.708 2.046 1.00 0.00 C ATOM 533 C GLU A 35 -8.449 -2.284 1.778 1.00 0.00 C ATOM 534 O GLU A 35 -9.120 -1.690 2.627 1.00 0.00 O ATOM 535 CB GLU A 35 -8.840 -4.741 1.351 1.00 0.00 C ATOM 536 CG GLU A 35 -8.243 -6.158 1.341 1.00 0.00 C ATOM 537 CD GLU A 35 -9.069 -7.152 0.501 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.452 -7.934 -0.266 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.318 -7.183 0.617 1.00 0.00 O ATOM 0 H GLU A 35 -8.653 -3.568 3.998 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.925 -3.801 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.806 -4.764 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.023 -4.423 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.227 -6.116 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.174 -6.525 2.365 1.00 0.00 H new ATOM 546 N SER A 36 -8.135 -1.733 0.602 1.00 0.00 N ATOM 547 CA SER A 36 -8.515 -0.370 0.195 1.00 0.00 C ATOM 548 C SER A 36 -10.038 -0.168 0.105 1.00 0.00 C ATOM 549 O SER A 36 -10.772 -1.076 -0.295 1.00 0.00 O ATOM 550 CB SER A 36 -7.881 -0.034 -1.161 1.00 0.00 C ATOM 551 OG SER A 36 -6.466 -0.041 -1.063 1.00 0.00 O ATOM 0 H SER A 36 -7.599 -2.229 -0.110 1.00 0.00 H new ATOM 0 HA SER A 36 -8.144 0.300 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.203 -0.758 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.223 0.945 -1.497 1.00 0.00 H new ATOM 0 HG SER A 36 -6.165 -0.916 -0.741 1.00 0.00 H new ATOM 557 N ARG A 37 -10.506 1.047 0.432 1.00 0.00 N ATOM 558 CA ARG A 37 -11.928 1.463 0.485 1.00 0.00 C ATOM 559 C ARG A 37 -12.135 2.847 -0.157 1.00 0.00 C ATOM 560 O ARG A 37 -11.168 3.522 -0.520 1.00 0.00 O ATOM 561 CB ARG A 37 -12.425 1.470 1.953 1.00 0.00 C ATOM 562 CG ARG A 37 -12.236 0.162 2.742 1.00 0.00 C ATOM 563 CD ARG A 37 -13.032 -1.022 2.178 1.00 0.00 C ATOM 564 NE ARG A 37 -12.637 -2.286 2.832 1.00 0.00 N ATOM 565 CZ ARG A 37 -13.045 -3.501 2.514 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.908 -3.717 1.560 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.591 -4.538 3.157 1.00 0.00 N ATOM 0 H ARG A 37 -9.875 1.809 0.680 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.512 0.742 -0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.909 2.269 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.486 1.720 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.177 -0.096 2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.533 0.327 3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.098 -0.850 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.866 -1.097 1.103 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.981 -2.213 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.291 -2.933 1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.200 -4.670 1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.916 -4.415 3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.910 -5.474 2.906 1.00 0.00 H new ATOM 581 N GLY A 38 -13.391 3.284 -0.275 1.00 0.00 N ATOM 582 CA GLY A 38 -13.773 4.589 -0.834 1.00 0.00 C ATOM 583 C GLY A 38 -15.217 5.004 -0.512 1.00 0.00 C ATOM 584 O GLY A 38 -15.963 4.260 0.130 1.00 0.00 O ATOM 0 H GLY A 38 -14.193 2.728 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.093 5.350 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.646 4.561 -1.916 1.00 0.00 H new ATOM 588 N ARG A 39 -15.602 6.210 -0.959 1.00 0.00 N ATOM 589 CA ARG A 39 -16.882 6.887 -0.637 1.00 0.00 C ATOM 590 C ARG A 39 -17.613 7.463 -1.870 1.00 0.00 C ATOM 591 O ARG A 39 -18.510 8.297 -1.730 1.00 0.00 O ATOM 592 CB ARG A 39 -16.624 7.962 0.445 1.00 0.00 C ATOM 593 CG ARG A 39 -16.322 7.356 1.825 1.00 0.00 C ATOM 594 CD ARG A 39 -16.125 8.461 2.872 1.00 0.00 C ATOM 595 NE ARG A 39 -16.064 7.907 4.239 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.931 8.593 5.361 1.00 0.00 C ATOM 597 NH1 ARG A 39 -15.767 9.887 5.369 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.963 7.985 6.513 1.00 0.00 N ATOM 0 H ARG A 39 -15.013 6.767 -1.578 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.567 6.134 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.787 8.588 0.137 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.496 8.611 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.141 6.703 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.426 6.738 1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.206 9.007 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.944 9.177 2.805 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.131 6.893 4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.738 10.403 4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.668 10.383 6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.091 6.974 6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.860 8.520 7.375 1.00 0.00 H new ATOM 612 N GLY A 40 -17.248 7.023 -3.077 1.00 0.00 N ATOM 613 CA GLY A 40 -17.895 7.443 -4.333 1.00 0.00 C ATOM 614 C GLY A 40 -17.274 6.878 -5.619 1.00 0.00 C ATOM 615 O GLY A 40 -17.947 6.774 -6.644 1.00 0.00 O ATOM 0 H GLY A 40 -16.487 6.358 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.944 7.148 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.871 8.531 -4.387 1.00 0.00 H new HETATM 619 N NH2 A 41 -16.008 6.471 -5.601 1.00 0.00 N TER 622 NH2 A 41