USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 441 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 Single : A 3 THR OG1 : rot -53:sc= 0.193 USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= 1.04 (180deg=0.719) USER MOD Single : A 6 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.6!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -81:sc= -0.191 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 87:sc= 0.407 USER MOD Single : A 26 MET CE :methyl 180:sc= -1.55! (180deg=-1.55!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 THR OG1 : rot -43:sc= 0.388 USER MOD Single : B 4 LYS NZ :NH3+ -159:sc= 1.12 (180deg=0.736) USER MOD Single : B 6 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.05) USER MOD Single : B 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0599 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 91:sc= 0.00181 USER MOD Single : B 26 MET CE :methyl 166:sc= -0.582 (180deg=-1.37) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.012 -0.624 -11.973 1.00 0.00 N ATOM 32 CA THR A 3 -1.371 -0.308 -12.284 1.00 0.00 C ATOM 33 C THR A 3 -2.227 -0.355 -11.017 1.00 0.00 C ATOM 34 O THR A 3 -1.847 -0.982 -10.029 1.00 0.00 O ATOM 35 CB THR A 3 -1.843 -1.274 -13.373 1.00 0.00 C ATOM 36 OG1 THR A 3 -1.542 -2.564 -12.847 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.997 -1.183 -14.644 1.00 0.00 C ATOM 0 HA THR A 3 -1.468 0.708 -12.666 1.00 0.00 H new ATOM 0 HB THR A 3 -2.885 -1.066 -13.616 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.601 -2.595 -12.575 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.375 -1.889 -15.384 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.052 -0.171 -15.046 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.040 -1.424 -14.409 1.00 0.00 H new ATOM 45 N LYS A 4 -3.367 0.316 -11.086 1.00 0.00 N ATOM 46 CA LYS A 4 -4.269 0.380 -9.948 1.00 0.00 C ATOM 47 C LYS A 4 -4.671 -1.039 -9.542 1.00 0.00 C ATOM 48 O LYS A 4 -4.680 -1.371 -8.358 1.00 0.00 O ATOM 49 CB LYS A 4 -5.458 1.292 -10.257 1.00 0.00 C ATOM 50 CG LYS A 4 -5.128 2.751 -9.935 1.00 0.00 C ATOM 51 CD LYS A 4 -5.225 3.623 -11.188 1.00 0.00 C ATOM 52 CE LYS A 4 -6.683 3.825 -11.605 1.00 0.00 C ATOM 53 NZ LYS A 4 -6.808 4.993 -12.505 1.00 0.00 N ATOM 0 H LYS A 4 -3.687 0.821 -11.913 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.769 0.828 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.728 1.200 -11.309 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.325 0.975 -9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.814 3.124 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.123 2.817 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.760 4.590 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.671 3.157 -12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.051 2.930 -12.107 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.303 3.972 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.782 5.355 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.150 5.738 -12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.580 4.707 -13.479 1.00 0.00 H new ATOM 67 N ASP A 5 -4.994 -1.839 -10.548 1.00 0.00 N ATOM 68 CA ASP A 5 -5.435 -3.203 -10.307 1.00 0.00 C ATOM 69 C ASP A 5 -4.337 -3.965 -9.563 1.00 0.00 C ATOM 70 O ASP A 5 -4.618 -4.702 -8.619 1.00 0.00 O ATOM 71 CB ASP A 5 -5.708 -3.933 -11.624 1.00 0.00 C ATOM 72 CG ASP A 5 -7.071 -3.640 -12.255 1.00 0.00 C ATOM 73 OD1 ASP A 5 -8.056 -4.253 -11.789 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.097 -2.809 -13.188 1.00 0.00 O ATOM 0 H ASP A 5 -4.959 -1.569 -11.531 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.352 -3.163 -9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.929 -3.666 -12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.628 -5.006 -11.451 1.00 0.00 H new ATOM 79 N GLN A 6 -3.108 -3.762 -10.016 1.00 0.00 N ATOM 80 CA GLN A 6 -1.970 -4.447 -9.427 1.00 0.00 C ATOM 81 C GLN A 6 -1.935 -4.213 -7.916 1.00 0.00 C ATOM 82 O GLN A 6 -1.443 -5.055 -7.165 1.00 0.00 O ATOM 83 CB GLN A 6 -0.662 -4.000 -10.082 1.00 0.00 C ATOM 84 CG GLN A 6 -0.341 -4.858 -11.307 1.00 0.00 C ATOM 85 CD GLN A 6 0.172 -6.238 -10.890 1.00 0.00 C ATOM 86 OE1 GLN A 6 0.543 -6.474 -9.752 1.00 0.00 O ATOM 87 NE2 GLN A 6 0.172 -7.135 -11.873 1.00 0.00 N ATOM 0 H GLN A 6 -2.876 -3.133 -10.784 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.081 -5.516 -9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.738 -2.953 -10.377 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.152 -4.070 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.234 -4.969 -11.922 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.408 -4.357 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.152 -6.872 -12.804 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.496 -8.086 -11.696 1.00 0.00 H new ATOM 96 N ILE A 7 -2.463 -3.066 -7.514 1.00 0.00 N ATOM 97 CA ILE A 7 -2.476 -2.701 -6.107 1.00 0.00 C ATOM 98 C ILE A 7 -3.585 -3.478 -5.394 1.00 0.00 C ATOM 99 O ILE A 7 -3.428 -3.871 -4.239 1.00 0.00 O ATOM 100 CB ILE A 7 -2.589 -1.183 -5.949 1.00 0.00 C ATOM 101 CG1 ILE A 7 -1.478 -0.468 -6.720 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.610 -0.786 -4.472 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.098 -0.924 -6.242 1.00 0.00 C ATOM 0 H ILE A 7 -2.885 -2.378 -8.137 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.535 -2.979 -5.632 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.537 -0.864 -6.381 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.582 -0.670 -7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.575 0.610 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.691 0.298 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.464 -1.253 -3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.690 -1.120 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.674 -0.401 -6.806 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.012 -0.699 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.004 -1.998 -6.398 1.00 0.00 H new ATOM 115 N ILE A 8 -4.681 -3.676 -6.111 1.00 0.00 N ATOM 116 CA ILE A 8 -5.813 -4.404 -5.564 1.00 0.00 C ATOM 117 C ILE A 8 -5.345 -5.780 -5.085 1.00 0.00 C ATOM 118 O ILE A 8 -5.670 -6.199 -3.975 1.00 0.00 O ATOM 119 CB ILE A 8 -6.955 -4.462 -6.580 1.00 0.00 C ATOM 120 CG1 ILE A 8 -7.424 -3.055 -6.958 1.00 0.00 C ATOM 121 CG2 ILE A 8 -8.105 -5.330 -6.063 1.00 0.00 C ATOM 122 CD1 ILE A 8 -8.591 -3.113 -7.946 1.00 0.00 C ATOM 0 H ILE A 8 -4.809 -3.345 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.217 -3.884 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.580 -4.932 -7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -7.729 -2.516 -6.061 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.597 -2.498 -7.399 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.904 -5.355 -6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.744 -6.343 -5.884 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.487 -4.911 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.905 -2.100 -8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.276 -3.631 -8.852 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.425 -3.649 -7.493 1.00 0.00 H new ATOM 134 N GLU A 9 -4.589 -6.445 -5.946 1.00 0.00 N ATOM 135 CA GLU A 9 -4.102 -7.779 -5.640 1.00 0.00 C ATOM 136 C GLU A 9 -3.087 -7.724 -4.497 1.00 0.00 C ATOM 137 O GLU A 9 -2.772 -8.747 -3.891 1.00 0.00 O ATOM 138 CB GLU A 9 -3.497 -8.440 -6.880 1.00 0.00 C ATOM 139 CG GLU A 9 -4.572 -8.718 -7.933 1.00 0.00 C ATOM 140 CD GLU A 9 -5.535 -9.808 -7.458 1.00 0.00 C ATOM 141 OE1 GLU A 9 -5.133 -10.989 -7.523 1.00 0.00 O ATOM 142 OE2 GLU A 9 -6.653 -9.434 -7.041 1.00 0.00 O ATOM 0 H GLU A 9 -4.302 -6.085 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.947 -8.389 -5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.728 -7.793 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.009 -9.373 -6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.127 -7.803 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.101 -9.025 -8.867 1.00 0.00 H new ATOM 149 N ALA A 10 -2.602 -6.519 -4.236 1.00 0.00 N ATOM 150 CA ALA A 10 -1.634 -6.315 -3.172 1.00 0.00 C ATOM 151 C ALA A 10 -2.351 -6.362 -1.821 1.00 0.00 C ATOM 152 O ALA A 10 -1.795 -6.843 -0.835 1.00 0.00 O ATOM 153 CB ALA A 10 -0.899 -4.993 -3.396 1.00 0.00 C ATOM 0 H ALA A 10 -2.862 -5.673 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.886 -7.108 -3.177 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.173 -4.841 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.382 -5.022 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.617 -4.173 -3.395 1.00 0.00 H new ATOM 159 N VAL A 11 -3.576 -5.855 -1.819 1.00 0.00 N ATOM 160 CA VAL A 11 -4.374 -5.832 -0.605 1.00 0.00 C ATOM 161 C VAL A 11 -5.010 -7.207 -0.392 1.00 0.00 C ATOM 162 O VAL A 11 -5.418 -7.540 0.720 1.00 0.00 O ATOM 163 CB VAL A 11 -5.404 -4.702 -0.678 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.498 -4.890 0.374 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.730 -3.336 -0.531 1.00 0.00 C ATOM 0 H VAL A 11 -4.035 -5.457 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.746 -5.627 0.262 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.874 -4.739 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.217 -4.074 0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.007 -5.839 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.051 -4.891 1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.484 -2.551 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.221 -3.283 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.005 -3.200 -1.333 1.00 0.00 H new ATOM 175 N ALA A 12 -5.073 -7.969 -1.474 1.00 0.00 N ATOM 176 CA ALA A 12 -5.637 -9.307 -1.416 1.00 0.00 C ATOM 177 C ALA A 12 -4.536 -10.304 -1.049 1.00 0.00 C ATOM 178 O ALA A 12 -4.798 -11.496 -0.900 1.00 0.00 O ATOM 179 CB ALA A 12 -6.303 -9.639 -2.752 1.00 0.00 C ATOM 0 H ALA A 12 -4.743 -7.685 -2.396 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.406 -9.366 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.726 -10.643 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.097 -8.919 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.562 -9.592 -3.550 1.00 0.00 H new ATOM 185 N ALA A 13 -3.327 -9.778 -0.914 1.00 0.00 N ATOM 186 CA ALA A 13 -2.178 -10.613 -0.608 1.00 0.00 C ATOM 187 C ALA A 13 -1.917 -10.581 0.899 1.00 0.00 C ATOM 188 O ALA A 13 -1.355 -11.523 1.456 1.00 0.00 O ATOM 189 CB ALA A 13 -0.971 -10.138 -1.419 1.00 0.00 C ATOM 0 H ALA A 13 -3.119 -8.784 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.371 -11.649 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.109 -10.764 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.197 -10.208 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.745 -9.103 -1.163 1.00 0.00 H new ATOM 195 N MET A 14 -2.337 -9.487 1.517 1.00 0.00 N ATOM 196 CA MET A 14 -2.123 -9.303 2.942 1.00 0.00 C ATOM 197 C MET A 14 -3.361 -9.715 3.741 1.00 0.00 C ATOM 198 O MET A 14 -4.427 -9.938 3.169 1.00 0.00 O ATOM 199 CB MET A 14 -1.798 -7.835 3.225 1.00 0.00 C ATOM 200 CG MET A 14 -0.563 -7.386 2.440 1.00 0.00 C ATOM 201 SD MET A 14 -0.267 -5.647 2.711 1.00 0.00 S ATOM 202 CE MET A 14 0.929 -5.332 1.424 1.00 0.00 C ATOM 0 H MET A 14 -2.825 -8.719 1.056 1.00 0.00 H new ATOM 0 HA MET A 14 -1.289 -9.935 3.249 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.651 -7.212 2.956 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.625 -7.696 4.292 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.307 -7.964 2.752 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.708 -7.577 1.377 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.224 -4.283 1.451 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.806 -5.960 1.581 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.488 -5.560 0.454 1.00 0.00 H new ATOM 212 N SER A 15 -3.180 -9.803 5.050 1.00 0.00 N ATOM 213 CA SER A 15 -4.267 -10.194 5.932 1.00 0.00 C ATOM 214 C SER A 15 -5.204 -9.007 6.163 1.00 0.00 C ATOM 215 O SER A 15 -4.854 -7.867 5.863 1.00 0.00 O ATOM 216 CB SER A 15 -3.732 -10.716 7.267 1.00 0.00 C ATOM 217 OG SER A 15 -2.437 -10.201 7.562 1.00 0.00 O ATOM 0 H SER A 15 -2.296 -9.610 5.522 1.00 0.00 H new ATOM 0 HA SER A 15 -4.823 -11.001 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.421 -10.442 8.066 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.691 -11.805 7.240 1.00 0.00 H new ATOM 0 HG SER A 15 -1.761 -10.719 7.077 1.00 0.00 H new ATOM 223 N VAL A 16 -6.378 -9.316 6.695 1.00 0.00 N ATOM 224 CA VAL A 16 -7.377 -8.292 6.951 1.00 0.00 C ATOM 225 C VAL A 16 -6.820 -7.283 7.956 1.00 0.00 C ATOM 226 O VAL A 16 -6.936 -6.074 7.757 1.00 0.00 O ATOM 227 CB VAL A 16 -8.683 -8.940 7.415 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.692 -7.880 7.861 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.272 -9.832 6.320 1.00 0.00 C ATOM 0 H VAL A 16 -6.660 -10.261 6.956 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.608 -7.746 6.036 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.457 -9.571 8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.612 -8.367 8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.274 -7.305 8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.910 -7.212 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.200 -10.280 6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.476 -9.233 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.561 -10.619 6.070 1.00 0.00 H new ATOM 239 N MET A 17 -6.227 -7.815 9.015 1.00 0.00 N ATOM 240 CA MET A 17 -5.660 -6.976 10.056 1.00 0.00 C ATOM 241 C MET A 17 -4.543 -6.091 9.500 1.00 0.00 C ATOM 242 O MET A 17 -4.494 -4.895 9.783 1.00 0.00 O ATOM 243 CB MET A 17 -5.104 -7.857 11.176 1.00 0.00 C ATOM 244 CG MET A 17 -6.172 -8.137 12.236 1.00 0.00 C ATOM 245 SD MET A 17 -6.431 -6.684 13.240 1.00 0.00 S ATOM 246 CE MET A 17 -7.349 -7.402 14.592 1.00 0.00 C ATOM 0 H MET A 17 -6.127 -8.818 9.174 1.00 0.00 H new ATOM 0 HA MET A 17 -6.448 -6.332 10.446 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.745 -8.798 10.759 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.248 -7.366 11.638 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.106 -8.428 11.755 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.863 -8.973 12.864 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.595 -6.626 15.317 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.268 -7.847 14.212 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.745 -8.171 15.074 1.00 0.00 H new ATOM 256 N ASP A 18 -3.673 -6.713 8.718 1.00 0.00 N ATOM 257 CA ASP A 18 -2.561 -5.996 8.117 1.00 0.00 C ATOM 258 C ASP A 18 -3.103 -4.862 7.245 1.00 0.00 C ATOM 259 O ASP A 18 -2.468 -3.816 7.116 1.00 0.00 O ATOM 260 CB ASP A 18 -1.727 -6.920 7.227 1.00 0.00 C ATOM 261 CG ASP A 18 -0.278 -6.478 7.015 1.00 0.00 C ATOM 262 OD1 ASP A 18 0.403 -6.255 8.039 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.117 -6.375 5.833 1.00 0.00 O ATOM 0 H ASP A 18 -3.716 -7.706 8.487 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.935 -5.608 8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.726 -7.918 7.665 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.213 -6.999 6.255 1.00 0.00 H new ATOM 268 N VAL A 19 -4.271 -5.107 6.670 1.00 0.00 N ATOM 269 CA VAL A 19 -4.880 -4.141 5.771 1.00 0.00 C ATOM 270 C VAL A 19 -5.527 -3.024 6.593 1.00 0.00 C ATOM 271 O VAL A 19 -5.558 -1.871 6.165 1.00 0.00 O ATOM 272 CB VAL A 19 -5.866 -4.844 4.837 1.00 0.00 C ATOM 273 CG1 VAL A 19 -6.827 -3.840 4.197 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.128 -5.654 3.770 1.00 0.00 C ATOM 0 H VAL A 19 -4.812 -5.960 6.809 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.124 -3.681 5.135 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.457 -5.538 5.435 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.517 -4.366 3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.390 -3.327 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.259 -3.110 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.852 -6.144 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.500 -4.989 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.505 -6.408 4.252 1.00 0.00 H new ATOM 284 N VAL A 20 -6.028 -3.405 7.759 1.00 0.00 N ATOM 285 CA VAL A 20 -6.663 -2.448 8.649 1.00 0.00 C ATOM 286 C VAL A 20 -5.654 -1.363 9.029 1.00 0.00 C ATOM 287 O VAL A 20 -5.993 -0.181 9.066 1.00 0.00 O ATOM 288 CB VAL A 20 -7.249 -3.172 9.863 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.524 -2.192 11.005 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.515 -3.942 9.484 1.00 0.00 C ATOM 0 H VAL A 20 -6.007 -4.363 8.108 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.496 -1.955 8.148 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.510 -3.894 10.212 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.940 -2.732 11.856 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.593 -1.709 11.302 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.235 -1.436 10.672 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.911 -4.447 10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.261 -3.248 9.098 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.276 -4.681 8.719 1.00 0.00 H new ATOM 300 N GLU A 21 -4.435 -1.804 9.302 1.00 0.00 N ATOM 301 CA GLU A 21 -3.368 -0.883 9.656 1.00 0.00 C ATOM 302 C GLU A 21 -3.073 0.061 8.489 1.00 0.00 C ATOM 303 O GLU A 21 -2.971 1.273 8.675 1.00 0.00 O ATOM 304 CB GLU A 21 -2.109 -1.640 10.082 1.00 0.00 C ATOM 305 CG GLU A 21 -2.211 -2.099 11.538 1.00 0.00 C ATOM 306 CD GLU A 21 -0.838 -2.085 12.214 1.00 0.00 C ATOM 307 OE1 GLU A 21 0.045 -2.821 11.723 1.00 0.00 O ATOM 308 OE2 GLU A 21 -0.703 -1.338 13.208 1.00 0.00 O ATOM 0 H GLU A 21 -4.162 -2.787 9.285 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.697 -0.286 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.963 -2.504 9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.236 -0.999 9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.895 -1.447 12.082 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.630 -3.105 11.578 1.00 0.00 H new ATOM 315 N LEU A 22 -2.943 -0.530 7.310 1.00 0.00 N ATOM 316 CA LEU A 22 -2.671 0.244 6.111 1.00 0.00 C ATOM 317 C LEU A 22 -3.721 1.348 5.972 1.00 0.00 C ATOM 318 O LEU A 22 -3.392 2.532 6.032 1.00 0.00 O ATOM 319 CB LEU A 22 -2.580 -0.674 4.890 1.00 0.00 C ATOM 320 CG LEU A 22 -2.121 -0.015 3.588 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.923 -0.756 2.991 1.00 0.00 C ATOM 322 CD2 LEU A 22 -3.278 0.099 2.593 1.00 0.00 C ATOM 0 H LEU A 22 -3.021 -1.536 7.160 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.700 0.734 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.894 -1.489 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.560 -1.121 4.722 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.792 0.999 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.617 -0.267 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.096 -0.741 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.202 -1.788 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.924 0.571 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.661 -0.896 2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.074 0.703 3.028 1.00 0.00 H new ATOM 334 N ILE A 23 -4.962 0.922 5.790 1.00 0.00 N ATOM 335 CA ILE A 23 -6.056 1.860 5.608 1.00 0.00 C ATOM 336 C ILE A 23 -6.026 2.896 6.733 1.00 0.00 C ATOM 337 O ILE A 23 -6.232 4.085 6.493 1.00 0.00 O ATOM 338 CB ILE A 23 -7.387 1.115 5.494 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.482 0.363 4.165 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.568 2.066 5.700 1.00 0.00 C ATOM 341 CD1 ILE A 23 -8.522 -0.757 4.242 1.00 0.00 C ATOM 0 H ILE A 23 -5.234 -0.061 5.765 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.940 2.403 4.670 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.431 0.371 6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.749 1.058 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.509 -0.056 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.502 1.510 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.504 2.516 6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.541 2.849 4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.570 -1.276 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.240 -1.463 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.499 -0.331 4.473 1.00 0.00 H new ATOM 353 N SER A 24 -5.768 2.408 7.938 1.00 0.00 N ATOM 354 CA SER A 24 -5.797 3.261 9.113 1.00 0.00 C ATOM 355 C SER A 24 -4.724 4.346 9.000 1.00 0.00 C ATOM 356 O SER A 24 -4.961 5.498 9.358 1.00 0.00 O ATOM 357 CB SER A 24 -5.594 2.445 10.391 1.00 0.00 C ATOM 358 OG SER A 24 -6.813 1.875 10.860 1.00 0.00 O ATOM 0 H SER A 24 -5.538 1.432 8.125 1.00 0.00 H new ATOM 0 HA SER A 24 -6.778 3.734 9.168 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.871 1.651 10.203 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.171 3.084 11.166 1.00 0.00 H new ATOM 0 HG SER A 24 -6.956 1.007 10.427 1.00 0.00 H new ATOM 364 N ALA A 25 -3.566 3.938 8.500 1.00 0.00 N ATOM 365 CA ALA A 25 -2.451 4.857 8.350 1.00 0.00 C ATOM 366 C ALA A 25 -2.873 6.020 7.450 1.00 0.00 C ATOM 367 O ALA A 25 -2.762 7.182 7.839 1.00 0.00 O ATOM 368 CB ALA A 25 -1.239 4.103 7.799 1.00 0.00 C ATOM 0 H ALA A 25 -3.376 2.984 8.194 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.164 5.274 9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.402 4.792 7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.962 3.306 8.489 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.488 3.673 6.829 1.00 0.00 H new ATOM 374 N MET A 26 -3.347 5.668 6.265 1.00 0.00 N ATOM 375 CA MET A 26 -3.795 6.668 5.310 1.00 0.00 C ATOM 376 C MET A 26 -4.848 7.587 5.933 1.00 0.00 C ATOM 377 O MET A 26 -4.769 8.807 5.799 1.00 0.00 O ATOM 378 CB MET A 26 -4.385 5.974 4.082 1.00 0.00 C ATOM 379 CG MET A 26 -3.287 5.320 3.240 1.00 0.00 C ATOM 380 SD MET A 26 -4.003 4.529 1.810 1.00 0.00 S ATOM 381 CE MET A 26 -2.636 3.495 1.311 1.00 0.00 C ATOM 0 H MET A 26 -3.431 4.704 5.943 1.00 0.00 H new ATOM 0 HA MET A 26 -2.937 7.274 5.018 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.104 5.219 4.398 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.929 6.699 3.477 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.563 6.071 2.925 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.746 4.587 3.839 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.915 2.927 0.424 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.771 4.119 1.085 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.386 2.807 2.119 1.00 0.00 H new ATOM 391 N GLU A 27 -5.810 6.966 6.600 1.00 0.00 N ATOM 392 CA GLU A 27 -6.891 7.711 7.222 1.00 0.00 C ATOM 393 C GLU A 27 -6.331 8.886 8.027 1.00 0.00 C ATOM 394 O GLU A 27 -6.832 10.005 7.928 1.00 0.00 O ATOM 395 CB GLU A 27 -7.748 6.801 8.103 1.00 0.00 C ATOM 396 CG GLU A 27 -8.882 6.166 7.297 1.00 0.00 C ATOM 397 CD GLU A 27 -9.822 5.369 8.204 1.00 0.00 C ATOM 398 OE1 GLU A 27 -10.519 6.021 9.011 1.00 0.00 O ATOM 399 OE2 GLU A 27 -9.821 4.126 8.071 1.00 0.00 O ATOM 0 H GLU A 27 -5.863 5.955 6.723 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.533 8.108 6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.125 6.020 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.163 7.376 8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.444 6.943 6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.466 5.510 6.532 1.00 0.00 H new ATOM 406 N GLU A 28 -5.301 8.591 8.805 1.00 0.00 N ATOM 407 CA GLU A 28 -4.708 9.593 9.674 1.00 0.00 C ATOM 408 C GLU A 28 -3.791 10.517 8.869 1.00 0.00 C ATOM 409 O GLU A 28 -3.850 11.737 9.016 1.00 0.00 O ATOM 410 CB GLU A 28 -3.948 8.938 10.829 1.00 0.00 C ATOM 411 CG GLU A 28 -3.699 9.939 11.959 1.00 0.00 C ATOM 412 CD GLU A 28 -2.654 9.406 12.942 1.00 0.00 C ATOM 413 OE1 GLU A 28 -1.496 9.240 12.505 1.00 0.00 O ATOM 414 OE2 GLU A 28 -3.039 9.178 14.110 1.00 0.00 O ATOM 0 H GLU A 28 -4.861 7.672 8.852 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.510 10.193 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.517 8.090 11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.997 8.548 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.361 10.887 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.632 10.137 12.486 1.00 0.00 H new ATOM 421 N LYS A 29 -2.966 9.901 8.037 1.00 0.00 N ATOM 422 CA LYS A 29 -2.011 10.650 7.237 1.00 0.00 C ATOM 423 C LYS A 29 -2.756 11.708 6.421 1.00 0.00 C ATOM 424 O LYS A 29 -2.576 12.905 6.638 1.00 0.00 O ATOM 425 CB LYS A 29 -1.163 9.702 6.387 1.00 0.00 C ATOM 426 CG LYS A 29 -0.229 10.483 5.461 1.00 0.00 C ATOM 427 CD LYS A 29 1.018 10.955 6.212 1.00 0.00 C ATOM 428 CE LYS A 29 1.882 11.857 5.328 1.00 0.00 C ATOM 429 NZ LYS A 29 3.210 12.070 5.945 1.00 0.00 N ATOM 0 H LYS A 29 -2.938 8.891 7.899 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.307 11.179 7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.577 9.052 7.036 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.814 9.059 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.064 9.855 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.756 11.343 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.722 11.496 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.600 10.092 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.000 11.405 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.385 12.816 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.783 12.684 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.093 12.521 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.689 11.154 6.063 1.00 0.00 H new ATOM 443 N PHE A 30 -3.577 11.228 5.498 1.00 0.00 N ATOM 444 CA PHE A 30 -4.339 12.117 4.638 1.00 0.00 C ATOM 445 C PHE A 30 -5.505 12.751 5.399 1.00 0.00 C ATOM 446 O PHE A 30 -6.243 13.565 4.846 1.00 0.00 O ATOM 447 CB PHE A 30 -4.894 11.266 3.494 1.00 0.00 C ATOM 448 CG PHE A 30 -3.825 10.741 2.534 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.357 11.537 1.535 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.343 9.478 2.679 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.365 11.049 0.644 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.350 8.990 1.788 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.883 9.786 0.790 1.00 0.00 C ATOM 0 H PHE A 30 -3.731 10.234 5.327 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.699 12.921 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.437 10.420 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.614 11.859 2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.740 12.540 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.715 8.846 3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.993 11.681 -0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.966 7.987 1.903 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.128 9.415 0.112 1.00 0.00 H new ATOM 463 N GLY A 31 -5.635 12.353 6.656 1.00 0.00 N ATOM 464 CA GLY A 31 -6.682 12.893 7.508 1.00 0.00 C ATOM 465 C GLY A 31 -8.020 12.944 6.766 1.00 0.00 C ATOM 466 O GLY A 31 -8.661 13.992 6.707 1.00 0.00 O ATOM 0 H GLY A 31 -5.033 11.663 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.781 12.278 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.407 13.895 7.838 1.00 0.00 H new ATOM 568 N THR B 3 6.726 -2.343 2.454 1.00 0.00 N ATOM 569 CA THR B 3 6.147 -2.180 3.777 1.00 0.00 C ATOM 570 C THR B 3 4.883 -1.321 3.704 1.00 0.00 C ATOM 571 O THR B 3 4.694 -0.568 2.750 1.00 0.00 O ATOM 572 CB THR B 3 7.224 -1.601 4.696 1.00 0.00 C ATOM 573 OG1 THR B 3 7.729 -0.481 3.976 1.00 0.00 O ATOM 574 CG2 THR B 3 8.432 -2.528 4.839 1.00 0.00 C ATOM 0 HA THR B 3 5.828 -3.137 4.190 1.00 0.00 H new ATOM 0 HB THR B 3 6.796 -1.409 5.680 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.840 -0.722 3.032 1.00 0.00 H new ATOM 0 HG21 THR B 3 9.166 -2.069 5.501 1.00 0.00 H new ATOM 0 HG22 THR B 3 8.111 -3.482 5.258 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.881 -2.694 3.860 1.00 0.00 H new ATOM 582 N LYS B 4 4.051 -1.461 4.725 1.00 0.00 N ATOM 583 CA LYS B 4 2.804 -0.717 4.782 1.00 0.00 C ATOM 584 C LYS B 4 3.095 0.773 4.598 1.00 0.00 C ATOM 585 O LYS B 4 2.406 1.455 3.841 1.00 0.00 O ATOM 586 CB LYS B 4 2.045 -1.041 6.071 1.00 0.00 C ATOM 587 CG LYS B 4 1.191 -2.299 5.903 1.00 0.00 C ATOM 588 CD LYS B 4 1.422 -3.277 7.057 1.00 0.00 C ATOM 589 CE LYS B 4 0.699 -2.811 8.323 1.00 0.00 C ATOM 590 NZ LYS B 4 1.670 -2.565 9.413 1.00 0.00 N ATOM 0 H LYS B 4 4.216 -2.079 5.520 1.00 0.00 H new ATOM 0 HA LYS B 4 2.145 -1.016 3.967 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.753 -1.184 6.888 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.409 -0.199 6.344 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.137 -2.024 5.860 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.433 -2.783 4.957 1.00 0.00 H new ATOM 0 HD2 LYS B 4 1.067 -4.268 6.775 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.490 -3.365 7.255 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.139 -1.900 8.114 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -0.024 -3.565 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 1.180 -2.601 10.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.411 -3.294 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.102 -1.627 9.288 1.00 0.00 H new ATOM 604 N ASP B 5 4.118 1.235 5.302 1.00 0.00 N ATOM 605 CA ASP B 5 4.490 2.639 5.249 1.00 0.00 C ATOM 606 C ASP B 5 4.827 3.018 3.806 1.00 0.00 C ATOM 607 O ASP B 5 4.323 4.014 3.288 1.00 0.00 O ATOM 608 CB ASP B 5 5.724 2.914 6.111 1.00 0.00 C ATOM 609 CG ASP B 5 5.447 3.065 7.608 1.00 0.00 C ATOM 610 OD1 ASP B 5 4.374 3.617 7.933 1.00 0.00 O ATOM 611 OD2 ASP B 5 6.315 2.626 8.393 1.00 0.00 O ATOM 0 H ASP B 5 4.701 0.662 5.912 1.00 0.00 H new ATOM 0 HA ASP B 5 3.651 3.225 5.623 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.436 2.101 5.969 1.00 0.00 H new ATOM 0 HB3 ASP B 5 6.204 3.825 5.752 1.00 0.00 H new ATOM 616 N GLN B 6 5.677 2.205 3.197 1.00 0.00 N ATOM 617 CA GLN B 6 6.117 2.464 1.837 1.00 0.00 C ATOM 618 C GLN B 6 4.912 2.704 0.925 1.00 0.00 C ATOM 619 O GLN B 6 5.012 3.427 -0.065 1.00 0.00 O ATOM 620 CB GLN B 6 6.982 1.317 1.312 1.00 0.00 C ATOM 621 CG GLN B 6 8.439 1.485 1.746 1.00 0.00 C ATOM 622 CD GLN B 6 9.167 2.488 0.848 1.00 0.00 C ATOM 623 OE1 GLN B 6 9.337 3.649 1.180 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.586 1.975 -0.306 1.00 0.00 N ATOM 0 H GLN B 6 6.073 1.366 3.621 1.00 0.00 H new ATOM 0 HA GLN B 6 6.730 3.365 1.841 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.596 0.367 1.682 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.925 1.282 0.224 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.477 1.824 2.781 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.947 0.521 1.707 1.00 0.00 H new ATOM 0 HE21 GLN B 6 9.410 0.994 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.083 2.563 -0.975 1.00 0.00 H new ATOM 633 N ILE B 7 3.800 2.083 1.292 1.00 0.00 N ATOM 634 CA ILE B 7 2.592 2.175 0.490 1.00 0.00 C ATOM 635 C ILE B 7 1.920 3.527 0.742 1.00 0.00 C ATOM 636 O ILE B 7 1.297 4.091 -0.156 1.00 0.00 O ATOM 637 CB ILE B 7 1.680 0.976 0.756 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.371 -0.334 0.372 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.334 1.143 0.048 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.708 -0.359 -1.120 1.00 0.00 C ATOM 0 H ILE B 7 3.711 1.514 2.134 1.00 0.00 H new ATOM 0 HA ILE B 7 2.835 2.132 -0.572 1.00 0.00 H new ATOM 0 HB ILE B 7 1.477 0.932 1.826 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.283 -0.453 0.957 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.724 -1.176 0.616 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.295 0.277 0.254 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.159 2.044 0.412 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.496 1.227 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE B 7 3.198 -1.301 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.791 -0.264 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE B 7 3.375 0.470 -1.356 1.00 0.00 H new ATOM 652 N ILE B 8 2.070 4.006 1.968 1.00 0.00 N ATOM 653 CA ILE B 8 1.497 5.287 2.345 1.00 0.00 C ATOM 654 C ILE B 8 2.040 6.377 1.418 1.00 0.00 C ATOM 655 O ILE B 8 1.274 7.164 0.864 1.00 0.00 O ATOM 656 CB ILE B 8 1.739 5.566 3.830 1.00 0.00 C ATOM 657 CG1 ILE B 8 1.200 4.427 4.697 1.00 0.00 C ATOM 658 CG2 ILE B 8 1.155 6.921 4.235 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.282 4.174 4.411 1.00 0.00 C ATOM 0 H ILE B 8 2.580 3.531 2.713 1.00 0.00 H new ATOM 0 HA ILE B 8 0.414 5.272 2.219 1.00 0.00 H new ATOM 0 HB ILE B 8 2.815 5.616 3.998 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.771 3.518 4.506 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.334 4.672 5.751 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.340 7.095 5.295 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.627 7.710 3.650 1.00 0.00 H new ATOM 0 HG23 ILE B 8 0.081 6.924 4.049 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.640 3.359 5.041 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -0.853 5.077 4.626 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.409 3.905 3.362 1.00 0.00 H new ATOM 671 N GLU B 9 3.357 6.387 1.278 1.00 0.00 N ATOM 672 CA GLU B 9 4.013 7.381 0.446 1.00 0.00 C ATOM 673 C GLU B 9 3.661 7.157 -1.027 1.00 0.00 C ATOM 674 O GLU B 9 3.890 8.029 -1.863 1.00 0.00 O ATOM 675 CB GLU B 9 5.529 7.359 0.657 1.00 0.00 C ATOM 676 CG GLU B 9 5.893 7.827 2.067 1.00 0.00 C ATOM 677 CD GLU B 9 7.410 7.870 2.256 1.00 0.00 C ATOM 678 OE1 GLU B 9 8.024 6.784 2.174 1.00 0.00 O ATOM 679 OE2 GLU B 9 7.923 8.989 2.478 1.00 0.00 O ATOM 0 H GLU B 9 3.988 5.723 1.727 1.00 0.00 H new ATOM 0 HA GLU B 9 3.653 8.367 0.740 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.908 6.350 0.496 1.00 0.00 H new ATOM 0 HB3 GLU B 9 6.012 8.002 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.473 8.817 2.245 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.450 7.155 2.803 1.00 0.00 H new ATOM 686 N ALA B 10 3.111 5.983 -1.298 1.00 0.00 N ATOM 687 CA ALA B 10 2.750 5.622 -2.659 1.00 0.00 C ATOM 688 C ALA B 10 1.451 6.333 -3.043 1.00 0.00 C ATOM 689 O ALA B 10 1.353 6.912 -4.124 1.00 0.00 O ATOM 690 CB ALA B 10 2.638 4.101 -2.771 1.00 0.00 C ATOM 0 H ALA B 10 2.906 5.269 -0.599 1.00 0.00 H new ATOM 0 HA ALA B 10 3.521 5.944 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.367 3.830 -3.792 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.595 3.646 -2.517 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.871 3.741 -2.085 1.00 0.00 H new ATOM 696 N VAL B 11 0.487 6.265 -2.137 1.00 0.00 N ATOM 697 CA VAL B 11 -0.805 6.889 -2.371 1.00 0.00 C ATOM 698 C VAL B 11 -0.641 8.410 -2.360 1.00 0.00 C ATOM 699 O VAL B 11 -1.497 9.134 -2.866 1.00 0.00 O ATOM 700 CB VAL B 11 -1.821 6.390 -1.342 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.060 7.288 -1.314 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.205 4.934 -1.613 1.00 0.00 C ATOM 0 H VAL B 11 0.574 5.788 -1.240 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.192 6.611 -3.351 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.352 6.436 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.766 6.911 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.767 8.304 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.531 7.289 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.928 4.604 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.645 4.853 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.315 4.307 -1.558 1.00 0.00 H new ATOM 712 N ALA B 12 0.465 8.850 -1.777 1.00 0.00 N ATOM 713 CA ALA B 12 0.760 10.271 -1.707 1.00 0.00 C ATOM 714 C ALA B 12 1.619 10.669 -2.909 1.00 0.00 C ATOM 715 O ALA B 12 2.109 11.795 -2.981 1.00 0.00 O ATOM 716 CB ALA B 12 1.441 10.586 -0.374 1.00 0.00 C ATOM 0 H ALA B 12 1.168 8.247 -1.349 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.159 10.856 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.662 11.652 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.778 10.312 0.447 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.368 10.019 -0.296 1.00 0.00 H new ATOM 722 N ALA B 13 1.775 9.723 -3.824 1.00 0.00 N ATOM 723 CA ALA B 13 2.574 9.957 -5.014 1.00 0.00 C ATOM 724 C ALA B 13 1.647 10.173 -6.212 1.00 0.00 C ATOM 725 O ALA B 13 2.012 10.854 -7.169 1.00 0.00 O ATOM 726 CB ALA B 13 3.534 8.785 -5.223 1.00 0.00 C ATOM 0 H ALA B 13 1.361 8.793 -3.765 1.00 0.00 H new ATOM 0 HA ALA B 13 3.178 10.857 -4.899 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.134 8.961 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.190 8.693 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.963 7.864 -5.344 1.00 0.00 H new ATOM 732 N MET B 14 0.466 9.579 -6.120 1.00 0.00 N ATOM 733 CA MET B 14 -0.505 9.674 -7.196 1.00 0.00 C ATOM 734 C MET B 14 -1.496 10.811 -6.942 1.00 0.00 C ATOM 735 O MET B 14 -1.529 11.379 -5.851 1.00 0.00 O ATOM 736 CB MET B 14 -1.265 8.351 -7.316 1.00 0.00 C ATOM 737 CG MET B 14 -0.302 7.185 -7.547 1.00 0.00 C ATOM 738 SD MET B 14 -0.520 5.953 -6.273 1.00 0.00 S ATOM 739 CE MET B 14 -0.860 4.521 -7.283 1.00 0.00 C ATOM 0 H MET B 14 0.160 9.030 -5.317 1.00 0.00 H new ATOM 0 HA MET B 14 0.028 9.883 -8.124 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.843 8.176 -6.409 1.00 0.00 H new ATOM 0 HB3 MET B 14 -1.976 8.409 -8.140 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.482 6.743 -8.527 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.727 7.546 -7.544 1.00 0.00 H new ATOM 0 HE1 MET B 14 -1.022 3.654 -6.642 1.00 0.00 H new ATOM 0 HE2 MET B 14 -1.753 4.702 -7.882 1.00 0.00 H new ATOM 0 HE3 MET B 14 -0.013 4.331 -7.942 1.00 0.00 H new ATOM 749 N SER B 15 -2.280 11.110 -7.967 1.00 0.00 N ATOM 750 CA SER B 15 -3.268 12.172 -7.870 1.00 0.00 C ATOM 751 C SER B 15 -4.496 11.675 -7.105 1.00 0.00 C ATOM 752 O SER B 15 -4.693 10.471 -6.954 1.00 0.00 O ATOM 753 CB SER B 15 -3.673 12.676 -9.256 1.00 0.00 C ATOM 754 OG SER B 15 -3.474 11.688 -10.263 1.00 0.00 O ATOM 0 H SER B 15 -2.251 10.635 -8.869 1.00 0.00 H new ATOM 0 HA SER B 15 -2.823 13.006 -7.327 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.722 12.973 -9.242 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.093 13.566 -9.502 1.00 0.00 H new ATOM 0 HG SER B 15 -3.746 12.048 -11.133 1.00 0.00 H new ATOM 760 N VAL B 16 -5.291 12.629 -6.643 1.00 0.00 N ATOM 761 CA VAL B 16 -6.488 12.304 -5.886 1.00 0.00 C ATOM 762 C VAL B 16 -7.403 11.423 -6.739 1.00 0.00 C ATOM 763 O VAL B 16 -7.942 10.429 -6.255 1.00 0.00 O ATOM 764 CB VAL B 16 -7.170 13.588 -5.408 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.499 13.277 -4.716 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.247 14.390 -4.489 1.00 0.00 C ATOM 0 H VAL B 16 -5.130 13.627 -6.778 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.231 11.736 -4.992 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.384 14.200 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.963 14.206 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.163 12.768 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.319 12.635 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.756 15.297 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.987 13.788 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.339 14.657 -5.029 1.00 0.00 H new ATOM 776 N MET B 17 -7.549 11.819 -7.995 1.00 0.00 N ATOM 777 CA MET B 17 -8.384 11.074 -8.922 1.00 0.00 C ATOM 778 C MET B 17 -7.924 9.619 -9.027 1.00 0.00 C ATOM 779 O MET B 17 -8.737 8.700 -8.949 1.00 0.00 O ATOM 780 CB MET B 17 -8.323 11.729 -10.304 1.00 0.00 C ATOM 781 CG MET B 17 -9.397 12.810 -10.446 1.00 0.00 C ATOM 782 SD MET B 17 -10.998 12.054 -10.669 1.00 0.00 S ATOM 783 CE MET B 17 -12.021 13.514 -10.754 1.00 0.00 C ATOM 0 H MET B 17 -7.103 12.646 -8.392 1.00 0.00 H new ATOM 0 HA MET B 17 -9.408 11.086 -8.549 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.337 12.168 -10.459 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.460 10.972 -11.076 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.406 13.444 -9.560 1.00 0.00 H new ATOM 0 HG3 MET B 17 -9.168 13.453 -11.296 1.00 0.00 H new ATOM 0 HE1 MET B 17 -13.062 13.221 -10.893 1.00 0.00 H new ATOM 0 HE2 MET B 17 -11.924 14.081 -9.828 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.703 14.133 -11.593 1.00 0.00 H new ATOM 793 N ASP B 18 -6.621 9.455 -9.202 1.00 0.00 N ATOM 794 CA ASP B 18 -6.049 8.129 -9.366 1.00 0.00 C ATOM 795 C ASP B 18 -6.295 7.311 -8.097 1.00 0.00 C ATOM 796 O ASP B 18 -6.357 6.083 -8.148 1.00 0.00 O ATOM 797 CB ASP B 18 -4.538 8.205 -9.594 1.00 0.00 C ATOM 798 CG ASP B 18 -3.864 6.869 -9.913 1.00 0.00 C ATOM 799 OD1 ASP B 18 -3.707 6.071 -8.964 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.520 6.676 -11.099 1.00 0.00 O ATOM 0 H ASP B 18 -5.945 10.218 -9.234 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.521 7.663 -10.231 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.344 8.897 -10.413 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.072 8.626 -8.703 1.00 0.00 H new ATOM 805 N VAL B 19 -6.429 8.024 -6.989 1.00 0.00 N ATOM 806 CA VAL B 19 -6.625 7.378 -5.702 1.00 0.00 C ATOM 807 C VAL B 19 -8.113 7.077 -5.508 1.00 0.00 C ATOM 808 O VAL B 19 -8.473 6.119 -4.826 1.00 0.00 O ATOM 809 CB VAL B 19 -6.040 8.245 -4.586 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.497 7.752 -3.212 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.513 8.293 -4.672 1.00 0.00 C ATOM 0 H VAL B 19 -6.406 9.043 -6.955 1.00 0.00 H new ATOM 0 HA VAL B 19 -6.094 6.427 -5.668 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.415 9.260 -4.719 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -6.067 8.386 -2.436 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.585 7.794 -3.153 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -6.166 6.724 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -4.123 8.916 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -4.111 7.284 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -4.216 8.713 -5.633 1.00 0.00 H new ATOM 821 N VAL B 20 -8.937 7.915 -6.121 1.00 0.00 N ATOM 822 CA VAL B 20 -10.378 7.746 -6.031 1.00 0.00 C ATOM 823 C VAL B 20 -10.787 6.482 -6.789 1.00 0.00 C ATOM 824 O VAL B 20 -11.638 5.724 -6.326 1.00 0.00 O ATOM 825 CB VAL B 20 -11.084 9.004 -6.541 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.575 8.743 -6.764 1.00 0.00 C ATOM 827 CG2 VAL B 20 -10.870 10.179 -5.585 1.00 0.00 C ATOM 0 H VAL B 20 -8.635 8.712 -6.681 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.684 7.615 -4.993 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.643 9.270 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -13.053 9.653 -7.126 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.699 7.949 -7.501 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.036 8.440 -5.824 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.382 11.060 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.271 9.927 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.804 10.388 -5.498 1.00 0.00 H new ATOM 837 N GLU B 21 -10.161 6.292 -7.941 1.00 0.00 N ATOM 838 CA GLU B 21 -10.434 5.122 -8.758 1.00 0.00 C ATOM 839 C GLU B 21 -9.954 3.855 -8.047 1.00 0.00 C ATOM 840 O GLU B 21 -10.667 2.853 -8.005 1.00 0.00 O ATOM 841 CB GLU B 21 -9.789 5.253 -10.139 1.00 0.00 C ATOM 842 CG GLU B 21 -10.550 6.258 -11.006 1.00 0.00 C ATOM 843 CD GLU B 21 -10.222 6.063 -12.488 1.00 0.00 C ATOM 844 OE1 GLU B 21 -9.131 6.520 -12.892 1.00 0.00 O ATOM 845 OE2 GLU B 21 -11.069 5.461 -13.182 1.00 0.00 O ATOM 0 H GLU B 21 -9.465 6.929 -8.328 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.512 5.049 -8.903 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.752 5.572 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.774 4.281 -10.631 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -11.622 6.141 -10.849 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -10.293 7.273 -10.703 1.00 0.00 H new ATOM 852 N LEU B 22 -8.748 3.940 -7.505 1.00 0.00 N ATOM 853 CA LEU B 22 -8.178 2.825 -6.768 1.00 0.00 C ATOM 854 C LEU B 22 -9.154 2.390 -5.673 1.00 0.00 C ATOM 855 O LEU B 22 -9.640 1.260 -5.683 1.00 0.00 O ATOM 856 CB LEU B 22 -6.786 3.184 -6.244 1.00 0.00 C ATOM 857 CG LEU B 22 -5.987 2.037 -5.621 1.00 0.00 C ATOM 858 CD1 LEU B 22 -4.500 2.160 -5.957 1.00 0.00 C ATOM 859 CD2 LEU B 22 -6.230 1.957 -4.112 1.00 0.00 C ATOM 0 H LEU B 22 -8.150 4.764 -7.562 1.00 0.00 H new ATOM 0 HA LEU B 22 -8.034 1.968 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -6.205 3.599 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.892 3.973 -5.499 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.338 1.100 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -3.955 1.333 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -4.368 2.131 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.116 3.104 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -5.651 1.134 -3.693 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -5.922 2.892 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.290 1.788 -3.923 1.00 0.00 H new ATOM 871 N ILE B 23 -9.412 3.310 -4.755 1.00 0.00 N ATOM 872 CA ILE B 23 -10.298 3.026 -3.639 1.00 0.00 C ATOM 873 C ILE B 23 -11.606 2.437 -4.169 1.00 0.00 C ATOM 874 O ILE B 23 -12.103 1.444 -3.640 1.00 0.00 O ATOM 875 CB ILE B 23 -10.490 4.275 -2.777 1.00 0.00 C ATOM 876 CG1 ILE B 23 -9.226 4.587 -1.973 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.721 4.137 -1.878 1.00 0.00 C ATOM 878 CD1 ILE B 23 -9.217 6.045 -1.509 1.00 0.00 C ATOM 0 H ILE B 23 -9.023 4.253 -4.761 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.855 2.278 -2.981 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.668 5.122 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -9.168 3.926 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -8.345 4.391 -2.584 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.835 5.038 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.609 3.999 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -11.598 3.275 -1.222 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -8.308 6.240 -0.940 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -9.250 6.703 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.087 6.232 -0.879 1.00 0.00 H new ATOM 890 N SER B 24 -12.127 3.074 -5.208 1.00 0.00 N ATOM 891 CA SER B 24 -13.389 2.650 -5.789 1.00 0.00 C ATOM 892 C SER B 24 -13.280 1.205 -6.281 1.00 0.00 C ATOM 893 O SER B 24 -14.229 0.431 -6.159 1.00 0.00 O ATOM 894 CB SER B 24 -13.804 3.571 -6.938 1.00 0.00 C ATOM 895 OG SER B 24 -14.586 4.672 -6.484 1.00 0.00 O ATOM 0 H SER B 24 -11.698 3.880 -5.662 1.00 0.00 H new ATOM 0 HA SER B 24 -14.157 2.708 -5.017 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.913 3.943 -7.444 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.373 3.001 -7.672 1.00 0.00 H new ATOM 0 HG SER B 24 -13.997 5.426 -6.272 1.00 0.00 H new ATOM 901 N ALA B 25 -12.116 0.885 -6.825 1.00 0.00 N ATOM 902 CA ALA B 25 -11.875 -0.449 -7.348 1.00 0.00 C ATOM 903 C ALA B 25 -12.023 -1.469 -6.218 1.00 0.00 C ATOM 904 O ALA B 25 -12.899 -2.331 -6.265 1.00 0.00 O ATOM 905 CB ALA B 25 -10.493 -0.499 -8.003 1.00 0.00 C ATOM 0 H ALA B 25 -11.328 1.527 -6.915 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.608 -0.699 -8.115 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.312 -1.500 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.450 0.223 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.731 -0.256 -7.263 1.00 0.00 H new ATOM 911 N MET B 26 -11.152 -1.338 -5.228 1.00 0.00 N ATOM 912 CA MET B 26 -11.175 -2.237 -4.087 1.00 0.00 C ATOM 913 C MET B 26 -12.584 -2.340 -3.498 1.00 0.00 C ATOM 914 O MET B 26 -13.036 -3.429 -3.148 1.00 0.00 O ATOM 915 CB MET B 26 -10.210 -1.726 -3.015 1.00 0.00 C ATOM 916 CG MET B 26 -8.756 -1.904 -3.456 1.00 0.00 C ATOM 917 SD MET B 26 -7.659 -1.179 -2.249 1.00 0.00 S ATOM 918 CE MET B 26 -6.087 -1.473 -3.043 1.00 0.00 C ATOM 0 H MET B 26 -10.426 -0.623 -5.193 1.00 0.00 H new ATOM 0 HA MET B 26 -10.868 -3.228 -4.423 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.407 -0.673 -2.816 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.379 -2.264 -2.082 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.530 -2.964 -3.574 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.602 -1.435 -4.428 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.317 -0.874 -2.558 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.830 -2.529 -2.961 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.153 -1.196 -4.095 1.00 0.00 H new ATOM 928 N GLU B 27 -13.239 -1.191 -3.409 1.00 0.00 N ATOM 929 CA GLU B 27 -14.583 -1.137 -2.859 1.00 0.00 C ATOM 930 C GLU B 27 -15.471 -2.192 -3.523 1.00 0.00 C ATOM 931 O GLU B 27 -16.228 -2.885 -2.846 1.00 0.00 O ATOM 932 CB GLU B 27 -15.183 0.262 -3.015 1.00 0.00 C ATOM 933 CG GLU B 27 -14.914 1.115 -1.773 1.00 0.00 C ATOM 934 CD GLU B 27 -15.450 2.536 -1.958 1.00 0.00 C ATOM 935 OE1 GLU B 27 -16.461 2.671 -2.681 1.00 0.00 O ATOM 936 OE2 GLU B 27 -14.837 3.454 -1.372 1.00 0.00 O ATOM 0 H GLU B 27 -12.864 -0.291 -3.708 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.528 -1.356 -1.793 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.758 0.748 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -16.257 0.184 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -15.384 0.656 -0.903 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.843 1.149 -1.576 1.00 0.00 H new ATOM 943 N GLU B 28 -15.348 -2.279 -4.839 1.00 0.00 N ATOM 944 CA GLU B 28 -16.167 -3.201 -5.607 1.00 0.00 C ATOM 945 C GLU B 28 -15.586 -4.615 -5.534 1.00 0.00 C ATOM 946 O GLU B 28 -16.311 -5.575 -5.278 1.00 0.00 O ATOM 947 CB GLU B 28 -16.299 -2.738 -7.060 1.00 0.00 C ATOM 948 CG GLU B 28 -17.498 -3.401 -7.740 1.00 0.00 C ATOM 949 CD GLU B 28 -17.366 -3.341 -9.263 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.362 -3.889 -9.768 1.00 0.00 O ATOM 951 OE2 GLU B 28 -18.272 -2.749 -9.888 1.00 0.00 O ATOM 0 H GLU B 28 -14.694 -1.726 -5.393 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.166 -3.216 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.412 -1.654 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.387 -2.979 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.575 -4.440 -7.419 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.417 -2.903 -7.431 1.00 0.00 H new ATOM 958 N LYS B 29 -14.284 -4.698 -5.763 1.00 0.00 N ATOM 959 CA LYS B 29 -13.606 -5.983 -5.772 1.00 0.00 C ATOM 960 C LYS B 29 -13.900 -6.720 -4.464 1.00 0.00 C ATOM 961 O LYS B 29 -14.536 -7.773 -4.470 1.00 0.00 O ATOM 962 CB LYS B 29 -12.113 -5.799 -6.052 1.00 0.00 C ATOM 963 CG LYS B 29 -11.377 -7.140 -6.005 1.00 0.00 C ATOM 964 CD LYS B 29 -10.655 -7.323 -4.669 1.00 0.00 C ATOM 965 CE LYS B 29 -9.731 -8.541 -4.706 1.00 0.00 C ATOM 966 NZ LYS B 29 -10.481 -9.771 -4.365 1.00 0.00 N ATOM 0 H LYS B 29 -13.680 -3.896 -5.944 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.984 -6.607 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.977 -5.339 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.683 -5.118 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.087 -7.954 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.657 -7.192 -6.822 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.075 -6.429 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -11.387 -7.442 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.290 -8.640 -5.698 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -8.909 -8.403 -4.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.839 -10.589 -4.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.881 -9.680 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.250 -9.910 -5.051 1.00 0.00 H new ATOM 980 N PHE B 30 -13.423 -6.137 -3.374 1.00 0.00 N ATOM 981 CA PHE B 30 -13.613 -6.734 -2.063 1.00 0.00 C ATOM 982 C PHE B 30 -15.060 -6.576 -1.592 1.00 0.00 C ATOM 983 O PHE B 30 -15.445 -7.127 -0.562 1.00 0.00 O ATOM 984 CB PHE B 30 -12.690 -5.991 -1.095 1.00 0.00 C ATOM 985 CG PHE B 30 -11.205 -6.303 -1.288 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.705 -7.503 -0.889 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.384 -5.380 -1.858 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.326 -7.792 -1.068 1.00 0.00 C ATOM 989 CE2 PHE B 30 -9.006 -5.670 -2.037 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.506 -6.870 -1.638 1.00 0.00 C ATOM 0 H PHE B 30 -12.906 -5.258 -3.372 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.387 -7.800 -2.104 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.844 -4.918 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.974 -6.243 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -11.356 -8.236 -0.436 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.781 -4.427 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.929 -8.745 -0.751 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.355 -4.937 -2.490 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.458 -7.090 -1.774 1.00 0.00 H new