USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 345 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 16 GLN : amide:sc= -2.06 K(o=-3.4,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -175:sc= -1.33 (180deg=-0.316) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.162 (180deg=-0.655) USER MOD Single : A 5 THR OG1 : rot -9:sc= 0.287 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 69:sc= 0.857 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 73:sc= 0.299 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00803 (180deg=-0.242) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.213 -10.459 39.372 1.00 0.00 N ATOM 2 CA GLY A 1 30.627 -10.776 39.415 1.00 0.00 C ATOM 3 C GLY A 1 30.981 -11.729 38.285 1.00 0.00 C ATOM 4 O GLY A 1 30.122 -12.120 37.498 1.00 0.00 O ATOM 0 H1 GLY A 1 29.088 -9.427 39.402 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.800 -10.833 38.494 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.736 -10.890 40.190 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.216 -9.863 39.329 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.878 -11.228 40.375 1.00 0.00 H new ATOM 8 N VAL A 2 32.259 -12.094 38.220 1.00 0.00 N ATOM 9 CA VAL A 2 32.760 -13.003 37.194 1.00 0.00 C ATOM 10 C VAL A 2 32.232 -14.410 37.425 1.00 0.00 C ATOM 11 O VAL A 2 31.806 -15.090 36.493 1.00 0.00 O ATOM 12 CB VAL A 2 34.299 -13.068 37.200 1.00 0.00 C ATOM 13 CG1 VAL A 2 34.790 -14.155 36.256 1.00 0.00 C ATOM 14 CG2 VAL A 2 34.890 -11.740 36.753 1.00 0.00 C ATOM 0 H VAL A 2 32.972 -11.770 38.873 1.00 0.00 H new ATOM 0 HA VAL A 2 32.415 -12.618 36.234 1.00 0.00 H new ATOM 0 HB VAL A 2 34.618 -13.291 38.218 1.00 0.00 H new ATOM 0 HG11 VAL A 2 35.879 -14.187 36.273 1.00 0.00 H new ATOM 0 HG12 VAL A 2 34.394 -15.119 36.574 1.00 0.00 H new ATOM 0 HG13 VAL A 2 34.449 -13.939 35.244 1.00 0.00 H new ATOM 0 HG21 VAL A 2 35.978 -11.804 36.763 1.00 0.00 H new ATOM 0 HG22 VAL A 2 34.549 -11.512 35.743 1.00 0.00 H new ATOM 0 HG23 VAL A 2 34.567 -10.951 37.432 1.00 0.00 H new ATOM 24 N ILE A 3 32.267 -14.837 38.684 1.00 0.00 N ATOM 25 CA ILE A 3 31.796 -16.163 39.071 1.00 0.00 C ATOM 26 C ILE A 3 30.294 -16.277 38.863 1.00 0.00 C ATOM 27 O ILE A 3 29.790 -17.307 38.419 1.00 0.00 O ATOM 28 CB ILE A 3 32.092 -16.457 40.554 1.00 0.00 C ATOM 29 CG1 ILE A 3 33.601 -16.561 40.786 1.00 0.00 C ATOM 30 CG2 ILE A 3 31.447 -17.768 40.976 1.00 0.00 C ATOM 31 CD1 ILE A 3 33.992 -16.603 42.247 1.00 0.00 C ATOM 0 H ILE A 3 32.620 -14.278 39.460 1.00 0.00 H new ATOM 0 HA ILE A 3 32.325 -16.881 38.444 1.00 0.00 H new ATOM 0 HB ILE A 3 31.682 -15.638 41.145 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.974 -17.459 40.294 1.00 0.00 H new ATOM 0 HG13 ILE A 3 34.092 -15.711 40.312 1.00 0.00 H new ATOM 0 HG21 ILE A 3 31.666 -17.960 42.026 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.368 -17.704 40.836 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.844 -18.581 40.368 1.00 0.00 H new ATOM 0 HD11 ILE A 3 35.076 -16.677 42.332 1.00 0.00 H new ATOM 0 HD12 ILE A 3 33.651 -15.693 42.741 1.00 0.00 H new ATOM 0 HD13 ILE A 3 33.531 -17.469 42.722 1.00 0.00 H new ATOM 43 N ASP A 4 29.586 -15.200 39.191 1.00 0.00 N ATOM 44 CA ASP A 4 28.134 -15.150 39.051 1.00 0.00 C ATOM 45 C ASP A 4 27.720 -15.558 37.646 1.00 0.00 C ATOM 46 O ASP A 4 26.738 -16.274 37.455 1.00 0.00 O ATOM 47 CB ASP A 4 27.619 -13.734 39.315 1.00 0.00 C ATOM 48 CG ASP A 4 27.706 -13.345 40.777 1.00 0.00 C ATOM 49 OD1 ASP A 4 27.180 -12.271 41.139 1.00 0.00 O ATOM 50 OD2 ASP A 4 28.301 -14.114 41.562 1.00 0.00 O ATOM 0 H ASP A 4 29.999 -14.343 39.559 1.00 0.00 H new ATOM 0 HA ASP A 4 27.706 -15.841 39.778 1.00 0.00 H new ATOM 0 HB2 ASP A 4 28.194 -13.025 38.719 1.00 0.00 H new ATOM 0 HB3 ASP A 4 26.583 -13.661 38.984 1.00 0.00 H new ATOM 56 N THR A 5 28.486 -15.092 36.663 1.00 0.00 N ATOM 57 CA THR A 5 28.222 -15.392 35.259 1.00 0.00 C ATOM 58 C THR A 5 29.044 -16.589 34.808 1.00 0.00 C ATOM 59 O THR A 5 28.955 -17.026 33.662 1.00 0.00 O ATOM 60 CB THR A 5 28.580 -14.201 34.350 1.00 0.00 C ATOM 61 OG1 THR A 5 29.979 -13.913 34.466 1.00 0.00 O ATOM 62 CG2 THR A 5 27.788 -12.967 34.753 1.00 0.00 C ATOM 0 H THR A 5 29.302 -14.500 36.816 1.00 0.00 H new ATOM 0 HA THR A 5 27.156 -15.606 35.175 1.00 0.00 H new ATOM 0 HB THR A 5 28.335 -14.464 33.321 1.00 0.00 H new ATOM 0 HG1 THR A 5 30.361 -14.436 35.201 1.00 0.00 H new ATOM 0 HG21 THR A 5 28.053 -12.135 34.100 1.00 0.00 H new ATOM 0 HG22 THR A 5 26.722 -13.173 34.662 1.00 0.00 H new ATOM 0 HG23 THR A 5 28.021 -12.707 35.786 1.00 0.00 H new ATOM 70 N SER A 6 29.847 -17.115 35.729 1.00 0.00 N ATOM 71 CA SER A 6 30.700 -18.266 35.453 1.00 0.00 C ATOM 72 C SER A 6 29.903 -19.373 34.781 1.00 0.00 C ATOM 73 O SER A 6 30.207 -19.788 33.664 1.00 0.00 O ATOM 74 CB SER A 6 31.292 -18.818 36.751 1.00 0.00 C ATOM 75 OG SER A 6 32.116 -19.942 36.499 1.00 0.00 O ATOM 0 H SER A 6 29.924 -16.758 36.681 1.00 0.00 H new ATOM 0 HA SER A 6 31.501 -17.933 34.792 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.873 -18.041 37.248 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.487 -19.098 37.431 1.00 0.00 H new ATOM 0 HG SER A 6 32.483 -20.275 37.345 1.00 0.00 H new ATOM 81 N ALA A 7 28.874 -19.845 35.480 1.00 0.00 N ATOM 82 CA ALA A 7 28.010 -20.907 34.974 1.00 0.00 C ATOM 83 C ALA A 7 27.342 -20.479 33.677 1.00 0.00 C ATOM 84 O ALA A 7 27.230 -21.257 32.731 1.00 0.00 O ATOM 85 CB ALA A 7 26.925 -21.236 35.988 1.00 0.00 C ATOM 0 H ALA A 7 28.617 -19.505 36.407 1.00 0.00 H new ATOM 0 HA ALA A 7 28.631 -21.785 34.797 1.00 0.00 H new ATOM 0 HB1 ALA A 7 26.289 -22.030 35.596 1.00 0.00 H new ATOM 0 HB2 ALA A 7 27.385 -21.567 36.919 1.00 0.00 H new ATOM 0 HB3 ALA A 7 26.322 -20.348 36.177 1.00 0.00 H new ATOM 91 N VAL A 8 26.899 -19.225 33.646 1.00 0.00 N ATOM 92 CA VAL A 8 26.236 -18.661 32.474 1.00 0.00 C ATOM 93 C VAL A 8 27.185 -18.632 31.288 1.00 0.00 C ATOM 94 O VAL A 8 26.804 -18.941 30.160 1.00 0.00 O ATOM 95 CB VAL A 8 25.759 -17.220 32.734 1.00 0.00 C ATOM 96 CG1 VAL A 8 25.263 -16.582 31.445 1.00 0.00 C ATOM 97 CG2 VAL A 8 24.623 -17.209 33.744 1.00 0.00 C ATOM 0 H VAL A 8 26.989 -18.575 34.427 1.00 0.00 H new ATOM 0 HA VAL A 8 25.376 -19.296 32.261 1.00 0.00 H new ATOM 0 HB VAL A 8 26.606 -16.655 33.124 1.00 0.00 H new ATOM 0 HG11 VAL A 8 24.930 -15.564 31.648 1.00 0.00 H new ATOM 0 HG12 VAL A 8 26.072 -16.561 30.715 1.00 0.00 H new ATOM 0 HG13 VAL A 8 24.431 -17.164 31.048 1.00 0.00 H new ATOM 0 HG21 VAL A 8 24.299 -16.183 33.916 1.00 0.00 H new ATOM 0 HG22 VAL A 8 23.788 -17.794 33.359 1.00 0.00 H new ATOM 0 HG23 VAL A 8 24.967 -17.643 34.683 1.00 0.00 H new ATOM 107 N GLU A 9 28.432 -18.254 31.558 1.00 0.00 N ATOM 108 CA GLU A 9 29.464 -18.175 30.528 1.00 0.00 C ATOM 109 C GLU A 9 29.625 -19.516 29.831 1.00 0.00 C ATOM 110 O GLU A 9 29.816 -19.584 28.618 1.00 0.00 O ATOM 111 CB GLU A 9 30.809 -17.787 31.146 1.00 0.00 C ATOM 112 CG GLU A 9 31.930 -17.613 30.134 1.00 0.00 C ATOM 113 CD GLU A 9 33.233 -17.180 30.776 1.00 0.00 C ATOM 114 OE1 GLU A 9 33.259 -17.017 32.014 1.00 0.00 O ATOM 115 OE2 GLU A 9 34.227 -17.003 30.041 1.00 0.00 O ATOM 0 H GLU A 9 28.754 -17.995 32.491 1.00 0.00 H new ATOM 0 HA GLU A 9 29.156 -17.418 29.807 1.00 0.00 H new ATOM 0 HB2 GLU A 9 30.687 -16.857 31.701 1.00 0.00 H new ATOM 0 HB3 GLU A 9 31.100 -18.552 31.866 1.00 0.00 H new ATOM 0 HG2 GLU A 9 32.085 -18.553 29.604 1.00 0.00 H new ATOM 0 HG3 GLU A 9 31.632 -16.873 29.391 1.00 0.00 H new ATOM 123 N SER A 10 29.545 -20.586 30.617 1.00 0.00 N ATOM 124 CA SER A 10 29.677 -21.945 30.101 1.00 0.00 C ATOM 125 C SER A 10 28.364 -22.418 29.500 1.00 0.00 C ATOM 126 O SER A 10 28.327 -22.948 28.391 1.00 0.00 O ATOM 127 CB SER A 10 30.069 -22.908 31.223 1.00 0.00 C ATOM 128 OG SER A 10 31.345 -22.587 31.749 1.00 0.00 O ATOM 0 H SER A 10 29.388 -20.536 31.624 1.00 0.00 H new ATOM 0 HA SER A 10 30.451 -21.934 29.334 1.00 0.00 H new ATOM 0 HB2 SER A 10 29.324 -22.868 32.018 1.00 0.00 H new ATOM 0 HB3 SER A 10 30.075 -23.930 30.844 1.00 0.00 H new ATOM 0 HG SER A 10 31.571 -23.216 32.466 1.00 0.00 H new ATOM 134 N ALA A 11 27.284 -22.218 30.251 1.00 0.00 N ATOM 135 CA ALA A 11 25.948 -22.616 29.816 1.00 0.00 C ATOM 136 C ALA A 11 25.509 -21.787 28.620 1.00 0.00 C ATOM 137 O ALA A 11 24.882 -22.294 27.691 1.00 0.00 O ATOM 138 CB ALA A 11 24.942 -22.413 30.939 1.00 0.00 C ATOM 0 H ALA A 11 27.309 -21.779 31.171 1.00 0.00 H new ATOM 0 HA ALA A 11 25.987 -23.670 29.540 1.00 0.00 H new ATOM 0 HB1 ALA A 11 23.951 -22.714 30.599 1.00 0.00 H new ATOM 0 HB2 ALA A 11 25.230 -23.018 31.799 1.00 0.00 H new ATOM 0 HB3 ALA A 11 24.923 -21.361 31.225 1.00 0.00 H new ATOM 144 N ILE A 12 25.846 -20.501 28.656 1.00 0.00 N ATOM 145 CA ILE A 12 25.500 -19.573 27.585 1.00 0.00 C ATOM 146 C ILE A 12 26.252 -19.924 26.312 1.00 0.00 C ATOM 147 O ILE A 12 25.679 -19.963 25.224 1.00 0.00 O ATOM 148 CB ILE A 12 25.855 -18.122 27.959 1.00 0.00 C ATOM 149 CG1 ILE A 12 24.976 -17.639 29.114 1.00 0.00 C ATOM 150 CG2 ILE A 12 25.640 -17.198 26.770 1.00 0.00 C ATOM 151 CD1 ILE A 12 23.496 -17.644 28.799 1.00 0.00 C ATOM 0 H ILE A 12 26.364 -20.075 29.424 1.00 0.00 H new ATOM 0 HA ILE A 12 24.424 -19.657 27.429 1.00 0.00 H new ATOM 0 HB ILE A 12 26.903 -18.101 28.257 1.00 0.00 H new ATOM 0 HG12 ILE A 12 25.155 -18.272 29.983 1.00 0.00 H new ATOM 0 HG13 ILE A 12 25.276 -16.628 29.388 1.00 0.00 H new ATOM 0 HG21 ILE A 12 25.896 -16.177 27.052 1.00 0.00 H new ATOM 0 HG22 ILE A 12 26.275 -17.516 25.943 1.00 0.00 H new ATOM 0 HG23 ILE A 12 24.595 -17.239 26.462 1.00 0.00 H new ATOM 0 HD11 ILE A 12 22.938 -17.289 29.666 1.00 0.00 H new ATOM 0 HD12 ILE A 12 23.303 -16.989 27.950 1.00 0.00 H new ATOM 0 HD13 ILE A 12 23.180 -18.658 28.554 1.00 0.00 H new ATOM 163 N THR A 13 27.549 -20.180 26.463 1.00 0.00 N ATOM 164 CA THR A 13 28.411 -20.532 25.338 1.00 0.00 C ATOM 165 C THR A 13 27.980 -21.858 24.732 1.00 0.00 C ATOM 166 O THR A 13 27.937 -22.016 23.513 1.00 0.00 O ATOM 167 CB THR A 13 29.882 -20.666 25.774 1.00 0.00 C ATOM 168 OG1 THR A 13 30.349 -19.411 26.282 1.00 0.00 O ATOM 169 CG2 THR A 13 30.752 -21.076 24.596 1.00 0.00 C ATOM 0 H THR A 13 28.029 -20.150 27.362 1.00 0.00 H new ATOM 0 HA THR A 13 28.320 -19.729 24.606 1.00 0.00 H new ATOM 0 HB THR A 13 29.945 -21.430 26.549 1.00 0.00 H new ATOM 0 HG1 THR A 13 29.901 -19.215 27.131 1.00 0.00 H new ATOM 0 HG21 THR A 13 31.788 -21.166 24.923 1.00 0.00 H new ATOM 0 HG22 THR A 13 30.410 -22.035 24.207 1.00 0.00 H new ATOM 0 HG23 THR A 13 30.683 -20.321 23.813 1.00 0.00 H new ATOM 177 N ASP A 14 27.660 -22.812 25.603 1.00 0.00 N ATOM 178 CA ASP A 14 27.227 -24.140 25.181 1.00 0.00 C ATOM 179 C ASP A 14 25.861 -24.070 24.520 1.00 0.00 C ATOM 180 O ASP A 14 25.654 -24.597 23.428 1.00 0.00 O ATOM 181 CB ASP A 14 27.134 -25.081 26.384 1.00 0.00 C ATOM 182 CG ASP A 14 28.495 -25.459 26.934 1.00 0.00 C ATOM 183 OD1 ASP A 14 28.553 -26.329 27.829 1.00 0.00 O ATOM 184 OD2 ASP A 14 29.503 -24.886 26.471 1.00 0.00 O ATOM 0 H ASP A 14 27.693 -22.687 26.615 1.00 0.00 H new ATOM 0 HA ASP A 14 27.962 -24.518 24.471 1.00 0.00 H new ATOM 0 HB2 ASP A 14 26.548 -24.604 27.170 1.00 0.00 H new ATOM 0 HB3 ASP A 14 26.600 -25.985 26.093 1.00 0.00 H new ATOM 190 N GLY A 15 24.927 -23.409 25.198 1.00 0.00 N ATOM 191 CA GLY A 15 23.564 -23.251 24.698 1.00 0.00 C ATOM 192 C GLY A 15 23.485 -22.087 23.723 1.00 0.00 C ATOM 193 O GLY A 15 23.266 -22.273 22.527 1.00 0.00 O ATOM 0 H GLY A 15 25.092 -22.970 26.104 1.00 0.00 H new ATOM 0 HA2 GLY A 15 23.243 -24.168 24.205 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.882 -23.082 25.531 1.00 0.00 H new ATOM 197 N GLN A 16 23.668 -20.881 24.252 1.00 0.00 N ATOM 198 CA GLN A 16 23.623 -19.662 23.450 1.00 0.00 C ATOM 199 C GLN A 16 24.491 -19.809 22.210 1.00 0.00 C ATOM 200 O GLN A 16 24.032 -19.613 21.086 1.00 0.00 O ATOM 201 CB GLN A 16 24.134 -18.469 24.260 1.00 0.00 C ATOM 202 CG GLN A 16 24.082 -17.145 23.515 1.00 0.00 C ATOM 203 CD GLN A 16 22.665 -16.716 23.187 1.00 0.00 C ATOM 204 OE1 GLN A 16 21.816 -16.616 24.073 1.00 0.00 O ATOM 205 NE2 GLN A 16 22.406 -16.462 21.910 1.00 0.00 N ATOM 0 H GLN A 16 23.851 -20.721 25.243 1.00 0.00 H new ATOM 0 HA GLN A 16 22.586 -19.494 23.158 1.00 0.00 H new ATOM 0 HB2 GLN A 16 23.544 -18.384 25.172 1.00 0.00 H new ATOM 0 HB3 GLN A 16 25.163 -18.663 24.563 1.00 0.00 H new ATOM 0 HG2 GLN A 16 24.561 -16.374 24.118 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.655 -17.229 22.592 1.00 0.00 H new ATOM 0 HE21 GLN A 16 23.143 -16.559 21.211 1.00 0.00 H new ATOM 0 HE22 GLN A 16 21.470 -16.170 21.628 1.00 0.00 H new ATOM 214 N GLY A 17 25.755 -20.158 22.432 1.00 0.00 N ATOM 215 CA GLY A 17 26.715 -20.339 21.347 1.00 0.00 C ATOM 216 C GLY A 17 26.150 -21.268 20.285 1.00 0.00 C ATOM 217 O GLY A 17 26.211 -20.981 19.091 1.00 0.00 O ATOM 0 H GLY A 17 26.141 -20.322 23.362 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.957 -19.373 20.903 1.00 0.00 H new ATOM 0 HA3 GLY A 17 27.644 -20.750 21.741 1.00 0.00 H new ATOM 221 N ASP A 18 25.595 -22.389 20.738 1.00 0.00 N ATOM 222 CA ASP A 18 25.008 -23.385 19.846 1.00 0.00 C ATOM 223 C ASP A 18 23.943 -22.748 18.967 1.00 0.00 C ATOM 224 O ASP A 18 23.508 -23.329 17.974 1.00 0.00 O ATOM 225 CB ASP A 18 24.360 -24.512 20.653 1.00 0.00 C ATOM 226 CG ASP A 18 25.380 -25.392 21.348 1.00 0.00 C ATOM 227 OD1 ASP A 18 25.164 -26.621 21.403 1.00 0.00 O ATOM 228 OD2 ASP A 18 26.395 -24.853 21.837 1.00 0.00 O ATOM 0 H ASP A 18 25.539 -22.632 21.727 1.00 0.00 H new ATOM 0 HA ASP A 18 25.808 -23.789 19.225 1.00 0.00 H new ATOM 0 HB2 ASP A 18 23.689 -24.082 21.397 1.00 0.00 H new ATOM 0 HB3 ASP A 18 23.749 -25.124 19.990 1.00 0.00 H new ATOM 234 N MET A 19 23.529 -21.543 19.346 1.00 0.00 N ATOM 235 CA MET A 19 22.513 -20.799 18.609 1.00 0.00 C ATOM 236 C MET A 19 23.015 -20.445 17.219 1.00 0.00 C ATOM 237 O MET A 19 22.288 -20.554 16.233 1.00 0.00 O ATOM 238 CB MET A 19 22.162 -19.502 19.341 1.00 0.00 C ATOM 239 CG MET A 19 21.049 -18.701 18.686 1.00 0.00 C ATOM 240 SD MET A 19 20.657 -17.189 19.586 1.00 0.00 S ATOM 241 CE MET A 19 19.901 -17.861 21.065 1.00 0.00 C ATOM 0 H MET A 19 23.886 -21.057 20.168 1.00 0.00 H new ATOM 0 HA MET A 19 21.629 -21.432 18.533 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.869 -19.742 20.363 1.00 0.00 H new ATOM 0 HB3 MET A 19 23.055 -18.880 19.403 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.341 -18.447 17.667 1.00 0.00 H new ATOM 0 HG3 MET A 19 20.154 -19.320 18.616 1.00 0.00 H new ATOM 0 HE1 MET A 19 19.524 -17.046 21.683 1.00 0.00 H new ATOM 0 HE2 MET A 19 19.076 -18.517 20.786 1.00 0.00 H new ATOM 0 HE3 MET A 19 20.642 -18.429 21.627 1.00 0.00 H new ATOM 251 N LYS A 20 24.273 -20.018 17.154 1.00 0.00 N ATOM 252 CA LYS A 20 24.904 -19.638 15.893 1.00 0.00 C ATOM 253 C LYS A 20 24.867 -20.798 14.910 1.00 0.00 C ATOM 254 O LYS A 20 24.602 -20.617 13.723 1.00 0.00 O ATOM 255 CB LYS A 20 26.364 -19.244 16.122 1.00 0.00 C ATOM 256 CG LYS A 20 27.084 -18.772 14.869 1.00 0.00 C ATOM 257 CD LYS A 20 28.509 -18.344 15.178 1.00 0.00 C ATOM 258 CE LYS A 20 29.234 -17.887 13.923 1.00 0.00 C ATOM 259 NZ LYS A 20 30.628 -17.453 14.213 1.00 0.00 N ATOM 0 H LYS A 20 24.881 -19.926 17.968 1.00 0.00 H new ATOM 0 HA LYS A 20 24.352 -18.790 15.487 1.00 0.00 H new ATOM 0 HB2 LYS A 20 26.402 -18.452 16.870 1.00 0.00 H new ATOM 0 HB3 LYS A 20 26.899 -20.099 16.535 1.00 0.00 H new ATOM 0 HG2 LYS A 20 27.095 -19.573 14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 20 26.539 -17.938 14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 20 28.497 -17.535 15.909 1.00 0.00 H new ATOM 0 HD3 LYS A 20 29.050 -19.175 15.631 1.00 0.00 H new ATOM 0 HE2 LYS A 20 29.251 -18.700 13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 28.685 -17.063 13.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 31.088 -17.149 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 30.612 -16.660 14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 31.160 -18.246 14.625 1.00 0.00 H new ATOM 273 N ALA A 21 25.138 -21.995 15.423 1.00 0.00 N ATOM 274 CA ALA A 21 25.144 -23.208 14.611 1.00 0.00 C ATOM 275 C ALA A 21 23.736 -23.549 14.153 1.00 0.00 C ATOM 276 O ALA A 21 23.516 -23.938 13.007 1.00 0.00 O ATOM 277 CB ALA A 21 25.687 -24.380 15.413 1.00 0.00 C ATOM 0 H ALA A 21 25.358 -22.151 16.407 1.00 0.00 H new ATOM 0 HA ALA A 21 25.780 -23.026 13.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 25.685 -25.277 14.794 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.706 -24.162 15.732 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.060 -24.543 16.289 1.00 0.00 H new ATOM 283 N ILE A 22 22.782 -23.398 15.068 1.00 0.00 N ATOM 284 CA ILE A 22 21.378 -23.685 14.785 1.00 0.00 C ATOM 285 C ILE A 22 20.845 -22.737 13.723 1.00 0.00 C ATOM 286 O ILE A 22 20.227 -23.158 12.747 1.00 0.00 O ATOM 287 CB ILE A 22 20.505 -23.526 16.043 1.00 0.00 C ATOM 288 CG1 ILE A 22 20.850 -24.604 17.072 1.00 0.00 C ATOM 289 CG2 ILE A 22 19.031 -23.653 15.689 1.00 0.00 C ATOM 290 CD1 ILE A 22 20.220 -24.378 18.429 1.00 0.00 C ATOM 0 H ILE A 22 22.958 -23.076 16.020 1.00 0.00 H new ATOM 0 HA ILE A 22 21.329 -24.717 14.436 1.00 0.00 H new ATOM 0 HB ILE A 22 20.700 -22.538 16.461 1.00 0.00 H new ATOM 0 HG12 ILE A 22 20.530 -25.573 16.690 1.00 0.00 H new ATOM 0 HG13 ILE A 22 21.933 -24.649 17.188 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.429 -23.538 16.590 1.00 0.00 H new ATOM 0 HG22 ILE A 22 18.761 -22.878 14.971 1.00 0.00 H new ATOM 0 HG23 ILE A 22 18.845 -24.634 15.251 1.00 0.00 H new ATOM 0 HD11 ILE A 22 20.511 -25.183 19.104 1.00 0.00 H new ATOM 0 HD12 ILE A 22 20.560 -23.425 18.834 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.135 -24.363 18.328 1.00 0.00 H new ATOM 302 N GLY A 23 21.094 -21.447 13.927 1.00 0.00 N ATOM 303 CA GLY A 23 20.650 -20.410 12.999 1.00 0.00 C ATOM 304 C GLY A 23 21.373 -20.542 11.668 1.00 0.00 C ATOM 305 O GLY A 23 20.767 -20.446 10.602 1.00 0.00 O ATOM 0 H GLY A 23 21.606 -21.092 14.735 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.574 -20.488 12.844 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.840 -19.425 13.427 1.00 0.00 H new ATOM 309 N GLY A 24 22.682 -20.764 11.745 1.00 0.00 N ATOM 310 CA GLY A 24 23.518 -20.913 10.558 1.00 0.00 C ATOM 311 C GLY A 24 23.170 -22.195 9.819 1.00 0.00 C ATOM 312 O GLY A 24 22.873 -22.181 8.626 1.00 0.00 O ATOM 0 H GLY A 24 23.190 -20.845 12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 24 23.379 -20.057 9.898 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.569 -20.926 10.846 1.00 0.00 H new ATOM 316 N TYR A 25 23.211 -23.308 10.547 1.00 0.00 N ATOM 317 CA TYR A 25 22.904 -24.619 9.985 1.00 0.00 C ATOM 318 C TYR A 25 21.520 -24.618 9.356 1.00 0.00 C ATOM 319 O TYR A 25 21.302 -25.205 8.297 1.00 0.00 O ATOM 320 CB TYR A 25 22.938 -25.691 11.076 1.00 0.00 C ATOM 321 CG TYR A 25 22.616 -27.082 10.579 1.00 0.00 C ATOM 322 CD1 TYR A 25 23.565 -27.830 9.894 1.00 0.00 C ATOM 323 CD2 TYR A 25 21.363 -27.642 10.795 1.00 0.00 C ATOM 324 CE1 TYR A 25 23.279 -29.102 9.436 1.00 0.00 C ATOM 325 CE2 TYR A 25 21.060 -28.913 10.344 1.00 0.00 C ATOM 326 CZ TYR A 25 22.031 -29.642 9.659 1.00 0.00 C ATOM 327 OH TYR A 25 21.744 -30.908 9.204 1.00 0.00 O ATOM 0 H TYR A 25 23.456 -23.326 11.537 1.00 0.00 H new ATOM 0 HA TYR A 25 23.655 -24.839 9.226 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.928 -25.699 11.533 1.00 0.00 H new ATOM 0 HB3 TYR A 25 22.228 -25.422 11.858 1.00 0.00 H new ATOM 0 HD1 TYR A 25 24.544 -27.410 9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 25 20.612 -27.074 11.325 1.00 0.00 H new ATOM 0 HE1 TYR A 25 24.030 -29.670 8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 25 20.082 -29.336 10.520 1.00 0.00 H new ATOM 0 HH TYR A 25 20.823 -31.141 9.444 1.00 0.00 H new ATOM 337 N ILE A 26 20.586 -23.948 10.024 1.00 0.00 N ATOM 338 CA ILE A 26 19.207 -23.851 9.552 1.00 0.00 C ATOM 339 C ILE A 26 19.112 -22.886 8.382 1.00 0.00 C ATOM 340 O ILE A 26 18.464 -23.167 7.376 1.00 0.00 O ATOM 341 CB ILE A 26 18.265 -23.345 10.661 1.00 0.00 C ATOM 342 CG1 ILE A 26 18.160 -24.379 11.784 1.00 0.00 C ATOM 343 CG2 ILE A 26 16.872 -23.096 10.103 1.00 0.00 C ATOM 344 CD1 ILE A 26 17.456 -23.867 13.021 1.00 0.00 C ATOM 0 H ILE A 26 20.761 -23.460 10.902 1.00 0.00 H new ATOM 0 HA ILE A 26 18.905 -24.853 9.247 1.00 0.00 H new ATOM 0 HB ILE A 26 18.678 -22.415 11.051 1.00 0.00 H new ATOM 0 HG12 ILE A 26 17.628 -25.254 11.411 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.163 -24.708 12.058 1.00 0.00 H new ATOM 0 HG21 ILE A 26 16.219 -22.739 10.900 1.00 0.00 H new ATOM 0 HG22 ILE A 26 16.925 -22.346 9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 26 16.472 -24.024 9.695 1.00 0.00 H new ATOM 0 HD11 ILE A 26 17.420 -24.656 13.772 1.00 0.00 H new ATOM 0 HD12 ILE A 26 17.999 -23.010 13.420 1.00 0.00 H new ATOM 0 HD13 ILE A 26 16.441 -23.565 12.763 1.00 0.00 H new ATOM 356 N VAL A 27 19.771 -21.740 8.528 1.00 0.00 N ATOM 357 CA VAL A 27 19.778 -20.707 7.495 1.00 0.00 C ATOM 358 C VAL A 27 20.685 -21.112 6.344 1.00 0.00 C ATOM 359 O VAL A 27 20.451 -20.750 5.192 1.00 0.00 O ATOM 360 CB VAL A 27 20.284 -19.361 8.046 1.00 0.00 C ATOM 361 CG1 VAL A 27 21.785 -19.415 8.287 1.00 0.00 C ATOM 362 CG2 VAL A 27 19.996 -18.239 7.060 1.00 0.00 C ATOM 0 H VAL A 27 20.312 -21.502 9.359 1.00 0.00 H new ATOM 0 HA VAL A 27 18.750 -20.596 7.151 1.00 0.00 H new ATOM 0 HB VAL A 27 19.765 -19.170 8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.126 -18.456 8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 27 22.010 -20.200 9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 27 22.297 -19.628 7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.360 -17.295 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.499 -18.446 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 27 18.921 -18.170 6.891 1.00 0.00 H new ATOM 372 N GLY A 28 21.726 -21.872 6.672 1.00 0.00 N ATOM 373 CA GLY A 28 22.690 -22.344 5.683 1.00 0.00 C ATOM 374 C GLY A 28 22.093 -23.471 4.855 1.00 0.00 C ATOM 375 O GLY A 28 22.517 -23.726 3.729 1.00 0.00 O ATOM 0 H GLY A 28 21.924 -22.177 7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.984 -21.521 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.594 -22.692 6.184 1.00 0.00 H new ATOM 379 N ALA A 29 21.101 -24.144 5.431 1.00 0.00 N ATOM 380 CA ALA A 29 20.424 -25.255 4.769 1.00 0.00 C ATOM 381 C ALA A 29 19.316 -24.739 3.864 1.00 0.00 C ATOM 382 O ALA A 29 19.028 -25.317 2.817 1.00 0.00 O ATOM 383 CB ALA A 29 19.810 -26.191 5.799 1.00 0.00 C ATOM 0 H ALA A 29 20.745 -23.936 6.364 1.00 0.00 H new ATOM 0 HA ALA A 29 21.164 -25.792 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 29 19.309 -27.014 5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 29 20.594 -26.587 6.444 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.086 -25.643 6.402 1.00 0.00 H new ATOM 389 N LEU A 30 18.696 -23.641 4.285 1.00 0.00 N ATOM 390 CA LEU A 30 17.611 -23.020 3.530 1.00 0.00 C ATOM 391 C LEU A 30 18.060 -22.708 2.112 1.00 0.00 C ATOM 392 O LEU A 30 17.263 -22.724 1.175 1.00 0.00 O ATOM 393 CB LEU A 30 17.173 -21.714 4.197 1.00 0.00 C ATOM 394 CG LEU A 30 16.435 -21.849 5.530 1.00 0.00 C ATOM 395 CD1 LEU A 30 16.173 -20.480 6.140 1.00 0.00 C ATOM 396 CD2 LEU A 30 15.097 -22.546 5.336 1.00 0.00 C ATOM 0 H LEU A 30 18.929 -23.159 5.153 1.00 0.00 H new ATOM 0 HA LEU A 30 16.777 -23.722 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.058 -21.098 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.529 -21.174 3.503 1.00 0.00 H new ATOM 0 HG LEU A 30 17.068 -22.438 6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.647 -20.598 7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 30 17.121 -19.971 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.562 -19.888 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.589 -22.632 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.480 -21.966 4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.262 -23.541 4.923 1.00 0.00 H new ATOM 408 N VAL A 31 19.350 -22.422 1.967 1.00 0.00 N ATOM 409 CA VAL A 31 19.938 -22.100 0.669 1.00 0.00 C ATOM 410 C VAL A 31 19.652 -23.206 -0.333 1.00 0.00 C ATOM 411 O VAL A 31 19.448 -22.952 -1.519 1.00 0.00 O ATOM 412 CB VAL A 31 21.466 -21.933 0.767 1.00 0.00 C ATOM 413 CG1 VAL A 31 22.080 -21.827 -0.620 1.00 0.00 C ATOM 414 CG2 VAL A 31 21.815 -20.674 1.546 1.00 0.00 C ATOM 0 H VAL A 31 20.015 -22.407 2.740 1.00 0.00 H new ATOM 0 HA VAL A 31 19.490 -21.162 0.342 1.00 0.00 H new ATOM 0 HB VAL A 31 21.864 -22.808 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 31 23.160 -21.709 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 31 21.858 -22.732 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 31 21.662 -20.964 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 31 22.899 -20.572 1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 21.396 -19.805 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 31 21.401 -20.742 2.552 1.00 0.00 H new ATOM 424 N ILE A 32 19.639 -24.440 0.161 1.00 0.00 N ATOM 425 CA ILE A 32 19.380 -25.612 -0.672 1.00 0.00 C ATOM 426 C ILE A 32 17.958 -25.578 -1.210 1.00 0.00 C ATOM 427 O ILE A 32 17.712 -25.879 -2.377 1.00 0.00 O ATOM 428 CB ILE A 32 19.555 -26.919 0.123 1.00 0.00 C ATOM 429 CG1 ILE A 32 21.021 -27.112 0.517 1.00 0.00 C ATOM 430 CG2 ILE A 32 19.120 -28.113 -0.713 1.00 0.00 C ATOM 431 CD1 ILE A 32 21.245 -28.236 1.505 1.00 0.00 C ATOM 0 H ILE A 32 19.806 -24.656 1.144 1.00 0.00 H new ATOM 0 HA ILE A 32 20.099 -25.585 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 32 18.937 -26.850 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 32 21.606 -27.309 -0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 32 21.398 -26.183 0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 32 19.250 -29.028 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 32 18.071 -28.003 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 32 19.727 -28.165 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 32 22.308 -28.311 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 32 20.689 -28.033 2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 32 20.900 -29.175 1.072 1.00 0.00 H new ATOM 443 N LEU A 33 17.024 -25.206 -0.340 1.00 0.00 N ATOM 444 CA LEU A 33 15.611 -25.124 -0.701 1.00 0.00 C ATOM 445 C LEU A 33 15.401 -24.086 -1.792 1.00 0.00 C ATOM 446 O LEU A 33 14.731 -24.341 -2.792 1.00 0.00 O ATOM 447 CB LEU A 33 14.770 -24.727 0.514 1.00 0.00 C ATOM 448 CG LEU A 33 14.604 -25.791 1.601 1.00 0.00 C ATOM 449 CD1 LEU A 33 13.859 -25.224 2.799 1.00 0.00 C ATOM 450 CD2 LEU A 33 13.819 -26.981 1.072 1.00 0.00 C ATOM 0 H LEU A 33 17.222 -24.954 0.628 1.00 0.00 H new ATOM 0 HA LEU A 33 15.301 -26.106 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.219 -23.843 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.779 -24.438 0.164 1.00 0.00 H new ATOM 0 HG LEU A 33 15.602 -26.109 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.752 -25.997 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.418 -24.384 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.872 -24.884 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.712 -27.726 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.832 -26.651 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.350 -27.420 0.227 1.00 0.00 H new ATOM 462 N ALA A 34 15.984 -22.910 -1.586 1.00 0.00 N ATOM 463 CA ALA A 34 15.877 -21.808 -2.540 1.00 0.00 C ATOM 464 C ALA A 34 16.427 -22.223 -3.895 1.00 0.00 C ATOM 465 O ALA A 34 15.860 -21.900 -4.938 1.00 0.00 O ATOM 466 CB ALA A 34 16.664 -20.603 -2.048 1.00 0.00 C ATOM 0 H ALA A 34 16.541 -22.693 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 34 14.823 -21.548 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.574 -19.791 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.269 -20.279 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.714 -20.875 -1.936 1.00 0.00 H new ATOM 472 N VAL A 35 17.544 -22.944 -3.866 1.00 0.00 N ATOM 473 CA VAL A 35 18.198 -23.419 -5.082 1.00 0.00 C ATOM 474 C VAL A 35 17.229 -24.234 -5.923 1.00 0.00 C ATOM 475 O VAL A 35 17.163 -24.084 -7.142 1.00 0.00 O ATOM 476 CB VAL A 35 19.411 -24.311 -4.759 1.00 0.00 C ATOM 477 CG1 VAL A 35 19.947 -24.960 -6.025 1.00 0.00 C ATOM 478 CG2 VAL A 35 20.526 -23.488 -4.132 1.00 0.00 C ATOM 0 H VAL A 35 18.019 -23.214 -3.005 1.00 0.00 H new ATOM 0 HA VAL A 35 18.531 -22.536 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 35 19.081 -25.080 -4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 35 20.804 -25.587 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.168 -25.573 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 35 20.254 -24.186 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 35 21.375 -24.135 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 35 20.836 -22.707 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 35 20.167 -23.032 -3.209 1.00 0.00 H new ATOM 488 N ALA A 36 16.476 -25.101 -5.253 1.00 0.00 N ATOM 489 CA ALA A 36 15.497 -25.959 -5.915 1.00 0.00 C ATOM 490 C ALA A 36 14.386 -25.123 -6.529 1.00 0.00 C ATOM 491 O ALA A 36 13.995 -25.330 -7.677 1.00 0.00 O ATOM 492 CB ALA A 36 14.878 -26.925 -4.917 1.00 0.00 C ATOM 0 H ALA A 36 16.526 -25.229 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 36 16.015 -26.515 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.151 -27.557 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.659 -27.548 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.380 -26.363 -4.127 1.00 0.00 H new ATOM 498 N GLY A 37 13.883 -24.172 -5.747 1.00 0.00 N ATOM 499 CA GLY A 37 12.811 -23.285 -6.188 1.00 0.00 C ATOM 500 C GLY A 37 13.140 -22.688 -7.547 1.00 0.00 C ATOM 501 O GLY A 37 12.410 -22.876 -8.519 1.00 0.00 O ATOM 0 H GLY A 37 14.205 -23.995 -4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.873 -23.838 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.667 -22.488 -5.459 1.00 0.00 H new ATOM 505 N LEU A 38 14.254 -21.963 -7.601 1.00 0.00 N ATOM 506 CA LEU A 38 14.709 -21.322 -8.832 1.00 0.00 C ATOM 507 C LEU A 38 14.961 -22.362 -9.911 1.00 0.00 C ATOM 508 O LEU A 38 14.651 -22.151 -11.082 1.00 0.00 O ATOM 509 CB LEU A 38 16.009 -20.554 -8.587 1.00 0.00 C ATOM 510 CG LEU A 38 15.897 -19.281 -7.746 1.00 0.00 C ATOM 511 CD1 LEU A 38 17.272 -18.691 -7.476 1.00 0.00 C ATOM 512 CD2 LEU A 38 15.064 -18.232 -8.467 1.00 0.00 C ATOM 0 H LEU A 38 14.863 -21.804 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 38 13.929 -20.634 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.716 -21.225 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.437 -20.289 -9.554 1.00 0.00 H new ATOM 0 HG LEU A 38 15.419 -19.554 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.169 -17.787 -6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 38 17.880 -19.417 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.755 -18.446 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.997 -17.335 -7.852 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.534 -17.985 -9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.063 -18.624 -8.648 1.00 0.00 H new ATOM 524 N ILE A 39 15.528 -23.492 -9.500 1.00 0.00 N ATOM 525 CA ILE A 39 15.834 -24.589 -10.413 1.00 0.00 C ATOM 526 C ILE A 39 14.572 -25.072 -11.108 1.00 0.00 C ATOM 527 O ILE A 39 14.561 -25.306 -12.316 1.00 0.00 O ATOM 528 CB ILE A 39 16.452 -25.787 -9.669 1.00 0.00 C ATOM 529 CG1 ILE A 39 17.838 -25.425 -9.132 1.00 0.00 C ATOM 530 CG2 ILE A 39 16.593 -26.979 -10.603 1.00 0.00 C ATOM 531 CD1 ILE A 39 18.829 -25.041 -10.210 1.00 0.00 C ATOM 0 H ILE A 39 15.787 -23.673 -8.530 1.00 0.00 H new ATOM 0 HA ILE A 39 16.548 -24.204 -11.141 1.00 0.00 H new ATOM 0 HB ILE A 39 15.790 -26.043 -8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 39 17.741 -24.597 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 39 18.234 -26.273 -8.573 1.00 0.00 H new ATOM 0 HG21 ILE A 39 17.031 -27.817 -10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 39 15.611 -27.265 -10.979 1.00 0.00 H new ATOM 0 HG23 ILE A 39 17.238 -26.711 -11.440 1.00 0.00 H new ATOM 0 HD11 ILE A 39 19.788 -24.798 -9.753 1.00 0.00 H new ATOM 0 HD12 ILE A 39 18.957 -25.875 -10.900 1.00 0.00 H new ATOM 0 HD13 ILE A 39 18.456 -24.173 -10.754 1.00 0.00 H new ATOM 543 N TYR A 40 13.506 -25.219 -10.326 1.00 0.00 N ATOM 544 CA TYR A 40 12.218 -25.675 -10.841 1.00 0.00 C ATOM 545 C TYR A 40 11.601 -24.619 -11.742 1.00 0.00 C ATOM 546 O TYR A 40 11.043 -24.928 -12.794 1.00 0.00 O ATOM 547 CB TYR A 40 11.249 -25.954 -9.690 1.00 0.00 C ATOM 548 CG TYR A 40 9.896 -26.458 -10.137 1.00 0.00 C ATOM 549 CD1 TYR A 40 9.722 -27.779 -10.528 1.00 0.00 C ATOM 550 CD2 TYR A 40 8.796 -25.610 -10.168 1.00 0.00 C ATOM 551 CE1 TYR A 40 8.488 -28.248 -10.938 1.00 0.00 C ATOM 552 CE2 TYR A 40 7.555 -26.061 -10.575 1.00 0.00 C ATOM 553 CZ TYR A 40 7.408 -27.393 -10.962 1.00 0.00 C ATOM 554 OH TYR A 40 6.179 -27.857 -11.370 1.00 0.00 O ATOM 0 H TYR A 40 13.510 -25.027 -9.324 1.00 0.00 H new ATOM 0 HA TYR A 40 12.392 -26.589 -11.408 1.00 0.00 H new ATOM 0 HB2 TYR A 40 11.697 -26.689 -9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.113 -25.039 -9.113 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.566 -28.452 -10.511 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.913 -24.579 -9.868 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.371 -29.279 -11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.709 -25.390 -10.593 1.00 0.00 H new ATOM 0 HH TYR A 40 5.524 -27.129 -11.328 1.00 0.00 H new ATOM 564 N SER A 41 11.707 -23.364 -11.314 1.00 0.00 N ATOM 565 CA SER A 41 11.167 -22.235 -12.065 1.00 0.00 C ATOM 566 C SER A 41 11.804 -22.158 -13.443 1.00 0.00 C ATOM 567 O SER A 41 11.116 -22.054 -14.457 1.00 0.00 O ATOM 568 CB SER A 41 11.444 -20.922 -11.331 1.00 0.00 C ATOM 569 OG SER A 41 10.740 -20.866 -10.102 1.00 0.00 O ATOM 0 H SER A 41 12.167 -23.102 -10.442 1.00 0.00 H new ATOM 0 HA SER A 41 10.092 -22.385 -12.162 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.514 -20.824 -11.146 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.151 -20.081 -11.960 1.00 0.00 H new ATOM 0 HG SER A 41 11.158 -21.475 -9.458 1.00 0.00 H new ATOM 575 N MET A 42 13.133 -22.210 -13.465 1.00 0.00 N ATOM 576 CA MET A 42 13.895 -22.148 -14.709 1.00 0.00 C ATOM 577 C MET A 42 13.589 -23.354 -15.582 1.00 0.00 C ATOM 578 O MET A 42 13.442 -23.239 -16.798 1.00 0.00 O ATOM 579 CB MET A 42 15.397 -22.131 -14.417 1.00 0.00 C ATOM 580 CG MET A 42 16.268 -21.983 -15.654 1.00 0.00 C ATOM 581 SD MET A 42 18.028 -21.936 -15.264 1.00 0.00 S ATOM 582 CE MET A 42 18.310 -23.633 -14.768 1.00 0.00 C ATOM 0 H MET A 42 13.709 -22.296 -12.627 1.00 0.00 H new ATOM 0 HA MET A 42 13.609 -21.234 -15.228 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.614 -21.311 -13.733 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.667 -23.054 -13.904 1.00 0.00 H new ATOM 0 HG2 MET A 42 16.072 -22.813 -16.333 1.00 0.00 H new ATOM 0 HG3 MET A 42 15.992 -21.069 -16.180 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.382 -23.829 -14.736 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.881 -23.799 -13.780 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.839 -24.305 -15.486 1.00 0.00 H new ATOM 592 N LEU A 43 13.495 -24.517 -14.943 1.00 0.00 N ATOM 593 CA LEU A 43 13.205 -25.768 -15.637 1.00 0.00 C ATOM 594 C LEU A 43 11.738 -25.832 -16.028 1.00 0.00 C ATOM 595 O LEU A 43 11.390 -26.285 -17.117 1.00 0.00 O ATOM 596 CB LEU A 43 13.518 -26.965 -14.737 1.00 0.00 C ATOM 597 CG LEU A 43 14.998 -27.236 -14.460 1.00 0.00 C ATOM 598 CD1 LEU A 43 15.159 -28.367 -13.456 1.00 0.00 C ATOM 599 CD2 LEU A 43 15.722 -27.629 -15.739 1.00 0.00 C ATOM 0 H LEU A 43 13.617 -24.619 -13.935 1.00 0.00 H new ATOM 0 HA LEU A 43 13.828 -25.804 -16.531 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.013 -26.817 -13.783 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.086 -27.857 -15.191 1.00 0.00 H new ATOM 0 HG LEU A 43 15.427 -26.318 -14.058 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.219 -28.543 -13.273 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.670 -28.095 -12.521 1.00 0.00 H new ATOM 0 HD13 LEU A 43 14.704 -29.274 -13.854 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.773 -27.817 -15.519 1.00 0.00 H new ATOM 0 HD22 LEU A 43 15.270 -28.532 -16.150 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.642 -26.820 -16.465 1.00 0.00 H new ATOM 611 N ARG A 44 10.881 -25.372 -15.122 1.00 0.00 N ATOM 612 CA ARG A 44 9.438 -25.365 -15.345 1.00 0.00 C ATOM 613 C ARG A 44 9.032 -24.152 -16.166 1.00 0.00 C ATOM 614 O ARG A 44 8.096 -24.207 -16.962 1.00 0.00 O ATOM 615 CB ARG A 44 8.690 -25.318 -14.011 1.00 0.00 C ATOM 616 CG ARG A 44 7.178 -25.400 -14.144 1.00 0.00 C ATOM 617 CD ARG A 44 6.742 -26.759 -14.669 1.00 0.00 C ATOM 618 NE ARG A 44 5.290 -26.860 -14.788 1.00 0.00 N ATOM 619 CZ ARG A 44 4.657 -27.871 -15.373 1.00 0.00 C ATOM 620 NH1 ARG A 44 5.349 -28.873 -15.896 1.00 0.00 N ATOM 621 NH2 ARG A 44 3.332 -27.877 -15.434 1.00 0.00 N ATOM 0 H ARG A 44 11.164 -24.995 -14.217 1.00 0.00 H new ATOM 0 HA ARG A 44 9.181 -26.278 -15.882 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.034 -26.141 -13.385 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.949 -24.394 -13.494 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.715 -25.217 -13.174 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.827 -24.618 -14.817 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.199 -26.935 -15.643 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.106 -27.539 -14.001 1.00 0.00 H new ATOM 0 HE ARG A 44 4.726 -26.106 -14.397 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.368 -28.868 -15.849 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.863 -29.649 -16.345 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.799 -27.106 -15.032 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.846 -28.653 -15.883 1.00 0.00 H new ATOM 635 N LYS A 45 9.752 -23.053 -15.960 1.00 0.00 N ATOM 636 CA LYS A 45 9.489 -21.804 -16.670 1.00 0.00 C ATOM 637 C LYS A 45 9.950 -21.905 -18.114 1.00 0.00 C ATOM 638 O LYS A 45 9.234 -21.527 -19.039 1.00 0.00 O ATOM 639 CB LYS A 45 10.232 -20.643 -16.006 1.00 0.00 C ATOM 640 CG LYS A 45 9.973 -19.291 -16.649 1.00 0.00 C ATOM 641 CD LYS A 45 10.696 -18.179 -15.907 1.00 0.00 C ATOM 642 CE LYS A 45 10.449 -16.828 -16.559 1.00 0.00 C ATOM 643 NZ LYS A 45 11.141 -15.727 -15.835 1.00 0.00 N ATOM 0 H LYS A 45 10.529 -23.002 -15.301 1.00 0.00 H new ATOM 0 HA LYS A 45 8.415 -21.624 -16.636 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.944 -20.595 -14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.302 -20.847 -16.034 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.302 -19.311 -17.688 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.902 -19.089 -16.657 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.359 -18.152 -14.871 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.766 -18.386 -15.889 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.794 -16.855 -17.593 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.378 -16.628 -16.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.947 -14.823 -16.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.794 -15.684 -14.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.166 -15.904 -15.832 1.00 0.00 H new ATOM 657 N ALA A 46 11.162 -22.423 -18.295 1.00 0.00 N ATOM 658 CA ALA A 46 11.750 -22.588 -19.621 1.00 0.00 C ATOM 659 C ALA A 46 13.135 -23.205 -19.497 1.00 0.00 C ATOM 660 O ALA A 46 13.597 -23.486 -18.394 1.00 0.00 O ATOM 661 CB ALA A 46 11.822 -21.232 -20.317 1.00 0.00 C ATOM 0 H ALA A 46 11.761 -22.738 -17.532 1.00 0.00 H new ATOM 0 HA ALA A 46 11.129 -23.255 -20.218 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.261 -21.354 -21.307 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.818 -20.819 -20.414 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.439 -20.553 -19.728 1.00 0.00 H new