USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 249 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 1 MET CE :methyl -177:sc= 0 (180deg=-0.0479) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.013 (180deg=-0.136) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -160:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -61:sc= 0.359 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc=-0.00146 X(o=-0.0015,f=-0.0015) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 170:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.880 9.290 6.732 1.00 0.00 N ATOM 2 CA MET A 1 -7.778 9.652 5.602 1.00 0.00 C ATOM 3 C MET A 1 -9.074 10.363 6.042 1.00 0.00 C ATOM 4 O MET A 1 -9.785 10.821 5.141 1.00 0.00 O ATOM 5 CB MET A 1 -7.770 8.490 4.585 1.00 0.00 C ATOM 6 CG MET A 1 -8.540 7.182 4.705 1.00 0.00 C ATOM 7 SD MET A 1 -8.188 5.904 3.479 1.00 0.00 S ATOM 8 CE MET A 1 -9.713 5.030 3.827 1.00 0.00 C ATOM 0 H1 MET A 1 -6.169 8.605 6.405 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.402 10.144 7.083 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.441 8.867 7.499 1.00 0.00 H new ATOM 0 HA MET A 1 -7.417 10.486 5.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.083 8.928 3.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.724 8.205 4.474 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.346 6.765 5.693 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.605 7.411 4.659 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.756 4.120 3.228 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.750 4.770 4.885 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.562 5.667 3.580 1.00 0.00 H new ATOM 18 N ILE A 2 -8.948 11.027 7.207 1.00 0.00 N ATOM 19 CA ILE A 2 -9.920 11.422 8.246 1.00 0.00 C ATOM 20 C ILE A 2 -9.568 12.819 8.816 1.00 0.00 C ATOM 21 O ILE A 2 -8.379 13.033 9.053 1.00 0.00 O ATOM 22 CB ILE A 2 -10.261 10.370 9.351 1.00 0.00 C ATOM 23 CG1 ILE A 2 -9.196 9.752 10.275 1.00 0.00 C ATOM 24 CG2 ILE A 2 -11.141 9.229 8.852 1.00 0.00 C ATOM 25 CD1 ILE A 2 -8.919 10.421 11.609 1.00 0.00 C ATOM 0 H ILE A 2 -8.019 11.347 7.481 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.871 11.477 7.717 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.761 11.086 10.003 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.489 8.721 10.475 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.258 9.715 9.721 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -11.338 8.537 9.671 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -12.084 9.632 8.482 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.631 8.702 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.146 9.866 12.141 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.581 11.443 11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.831 10.434 12.206 1.00 0.00 H new ATOM 36 N SER A 3 -10.535 13.688 9.183 1.00 0.00 N ATOM 37 CA SER A 3 -10.579 15.098 9.643 1.00 0.00 C ATOM 38 C SER A 3 -10.181 16.262 8.701 1.00 0.00 C ATOM 39 O SER A 3 -10.029 15.960 7.516 1.00 0.00 O ATOM 40 CB SER A 3 -10.155 15.262 11.114 1.00 0.00 C ATOM 41 OG SER A 3 -10.978 14.619 12.077 1.00 0.00 O ATOM 0 H SER A 3 -11.494 13.342 9.156 1.00 0.00 H new ATOM 0 HA SER A 3 -11.652 15.275 9.572 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.139 14.882 11.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.124 16.327 11.345 1.00 0.00 H new ATOM 0 HG SER A 3 -10.621 14.784 12.975 1.00 0.00 H new ATOM 46 N ASP A 4 -10.350 17.559 9.038 1.00 0.00 N ATOM 47 CA ASP A 4 -9.952 18.776 8.296 1.00 0.00 C ATOM 48 C ASP A 4 -8.525 19.254 8.635 1.00 0.00 C ATOM 49 O ASP A 4 -8.273 19.706 9.756 1.00 0.00 O ATOM 50 CB ASP A 4 -11.035 19.882 8.329 1.00 0.00 C ATOM 51 CG ASP A 4 -12.364 19.699 7.605 1.00 0.00 C ATOM 52 OD1 ASP A 4 -12.468 20.036 6.405 1.00 0.00 O ATOM 53 OD2 ASP A 4 -13.340 19.216 8.219 1.00 0.00 O ATOM 0 H ASP A 4 -10.810 17.803 9.915 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.891 18.491 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.266 20.072 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.578 20.789 7.933 1.00 0.00 H new ATOM 57 N GLU A 5 -7.593 18.755 7.799 1.00 0.00 N ATOM 58 CA GLU A 5 -6.116 18.695 7.812 1.00 0.00 C ATOM 59 C GLU A 5 -5.482 18.523 6.412 1.00 0.00 C ATOM 60 O GLU A 5 -6.111 17.891 5.560 1.00 0.00 O ATOM 61 CB GLU A 5 -5.503 17.656 8.775 1.00 0.00 C ATOM 62 CG GLU A 5 -5.313 18.068 10.234 1.00 0.00 C ATOM 63 CD GLU A 5 -5.322 17.009 11.327 1.00 0.00 C ATOM 64 OE1 GLU A 5 -4.269 16.406 11.625 1.00 0.00 O ATOM 65 OE2 GLU A 5 -6.261 17.083 12.148 1.00 0.00 O ATOM 0 H GLU A 5 -7.924 18.304 6.946 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.861 19.682 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.134 16.768 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.530 17.364 8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.362 18.596 10.301 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.095 18.788 10.473 1.00 0.00 H new ATOM 70 N GLN A 6 -4.387 19.246 6.113 1.00 0.00 N ATOM 71 CA GLN A 6 -3.356 19.146 5.056 1.00 0.00 C ATOM 72 C GLN A 6 -2.348 17.976 5.032 1.00 0.00 C ATOM 73 O GLN A 6 -1.713 17.808 3.987 1.00 0.00 O ATOM 74 CB GLN A 6 -2.770 20.569 4.992 1.00 0.00 C ATOM 75 CG GLN A 6 -2.790 21.436 3.731 1.00 0.00 C ATOM 76 CD GLN A 6 -1.926 21.193 2.501 1.00 0.00 C ATOM 77 OE1 GLN A 6 -0.838 21.755 2.361 1.00 0.00 O ATOM 78 NE2 GLN A 6 -2.368 20.339 1.583 1.00 0.00 N ATOM 0 H GLN A 6 -4.170 20.047 6.707 1.00 0.00 H new ATOM 0 HA GLN A 6 -3.830 18.817 4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.276 21.144 5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.725 20.484 5.289 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.822 21.433 3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -2.568 22.451 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.270 19.878 1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.806 20.144 0.755 1.00 0.00 H new ATOM 85 N LEU A 7 -2.533 16.967 5.898 1.00 0.00 N ATOM 86 CA LEU A 7 -1.990 15.595 5.974 1.00 0.00 C ATOM 87 C LEU A 7 -2.198 14.655 4.760 1.00 0.00 C ATOM 88 O LEU A 7 -1.654 13.547 4.746 1.00 0.00 O ATOM 89 CB LEU A 7 -2.411 15.039 7.353 1.00 0.00 C ATOM 90 CG LEU A 7 -1.751 15.278 8.730 1.00 0.00 C ATOM 91 CD1 LEU A 7 -0.453 14.529 8.998 1.00 0.00 C ATOM 92 CD2 LEU A 7 -1.601 16.676 9.321 1.00 0.00 C ATOM 0 H LEU A 7 -3.166 17.118 6.684 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.904 15.648 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.447 15.354 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.420 13.956 7.229 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.598 14.842 9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.088 14.779 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.633 13.456 8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.292 14.816 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.111 16.610 10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.999 17.291 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.586 17.128 9.441 1.00 0.00 H new ATOM 103 N ASN A 8 -2.854 15.132 3.690 1.00 0.00 N ATOM 104 CA ASN A 8 -2.881 14.778 2.256 1.00 0.00 C ATOM 105 C ASN A 8 -1.553 14.791 1.473 1.00 0.00 C ATOM 106 O ASN A 8 -1.433 14.000 0.530 1.00 0.00 O ATOM 107 CB ASN A 8 -4.019 15.630 1.656 1.00 0.00 C ATOM 108 CG ASN A 8 -4.825 15.069 0.488 1.00 0.00 C ATOM 109 OD1 ASN A 8 -5.693 14.205 0.628 1.00 0.00 O ATOM 110 ND2 ASN A 8 -4.616 15.612 -0.706 1.00 0.00 N ATOM 0 H ASN A 8 -3.491 15.915 3.840 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.071 13.709 2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.719 15.857 2.460 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.586 16.577 1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.174 15.314 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.898 16.327 -0.822 1.00 0.00 H new ATOM 116 N SER A 9 -0.545 15.549 1.930 1.00 0.00 N ATOM 117 CA SER A 9 0.905 15.425 1.713 1.00 0.00 C ATOM 118 C SER A 9 1.644 14.147 2.133 1.00 0.00 C ATOM 119 O SER A 9 2.510 13.781 1.332 1.00 0.00 O ATOM 120 CB SER A 9 1.686 16.646 2.214 1.00 0.00 C ATOM 121 OG SER A 9 1.531 17.828 1.440 1.00 0.00 O ATOM 0 H SER A 9 -0.748 16.352 2.526 1.00 0.00 H new ATOM 0 HA SER A 9 0.897 15.355 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.377 16.859 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.745 16.390 2.247 1.00 0.00 H new ATOM 0 HG SER A 9 2.062 18.550 1.836 1.00 0.00 H new ATOM 126 N LEU A 10 1.109 13.372 3.092 1.00 0.00 N ATOM 127 CA LEU A 10 1.264 11.937 3.350 1.00 0.00 C ATOM 128 C LEU A 10 0.504 11.008 2.395 1.00 0.00 C ATOM 129 O LEU A 10 1.236 10.236 1.782 1.00 0.00 O ATOM 130 CB LEU A 10 1.154 11.700 4.866 1.00 0.00 C ATOM 131 CG LEU A 10 0.825 10.416 5.656 1.00 0.00 C ATOM 132 CD1 LEU A 10 1.540 10.299 7.000 1.00 0.00 C ATOM 133 CD2 LEU A 10 -0.670 10.348 5.925 1.00 0.00 C ATOM 0 H LEU A 10 0.486 13.789 3.783 1.00 0.00 H new ATOM 0 HA LEU A 10 2.266 11.611 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.116 12.024 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.411 12.424 5.201 1.00 0.00 H new ATOM 0 HG LEU A 10 1.173 9.596 5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.250 9.367 7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.618 10.305 6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.262 11.141 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.898 9.440 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.975 11.218 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.210 10.337 4.978 1.00 0.00 H new ATOM 144 N ALA A 11 -0.760 11.242 2.020 1.00 0.00 N ATOM 145 CA ALA A 11 -1.580 10.434 1.107 1.00 0.00 C ATOM 146 C ALA A 11 -1.201 10.315 -0.381 1.00 0.00 C ATOM 147 O ALA A 11 -1.538 9.296 -0.991 1.00 0.00 O ATOM 148 CB ALA A 11 -2.992 10.967 1.222 1.00 0.00 C ATOM 0 H ALA A 11 -1.271 12.053 2.369 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.420 9.409 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.649 10.401 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.336 10.866 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.008 12.019 0.936 1.00 0.00 H new ATOM 154 N ILE A 12 -0.207 11.139 -0.731 1.00 0.00 N ATOM 155 CA ILE A 12 0.798 11.075 -1.806 1.00 0.00 C ATOM 156 C ILE A 12 2.110 10.383 -1.388 1.00 0.00 C ATOM 157 O ILE A 12 2.127 9.210 -1.764 1.00 0.00 O ATOM 158 CB ILE A 12 0.762 12.428 -2.584 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.142 12.513 -3.999 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.984 13.340 -2.664 1.00 0.00 C ATOM 161 CD1 ILE A 12 -1.356 12.617 -4.182 1.00 0.00 C ATOM 0 H ILE A 12 -0.068 11.991 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 12 0.570 10.355 -2.591 1.00 0.00 H new ATOM 0 HB ILE A 12 0.071 12.779 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.586 13.378 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.471 11.630 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.740 14.225 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.279 13.642 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.807 12.805 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.590 12.666 -5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.838 11.743 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.721 13.518 -3.689 1.00 0.00 H new ATOM 172 N THR A 13 2.903 10.825 -0.397 1.00 0.00 N ATOM 173 CA THR A 13 4.196 10.306 0.113 1.00 0.00 C ATOM 174 C THR A 13 4.379 8.798 0.385 1.00 0.00 C ATOM 175 O THR A 13 4.988 8.129 -0.453 1.00 0.00 O ATOM 176 CB THR A 13 4.804 11.371 1.073 1.00 0.00 C ATOM 177 OG1 THR A 13 6.087 11.796 0.593 1.00 0.00 O ATOM 178 CG2 THR A 13 4.860 11.466 2.601 1.00 0.00 C ATOM 0 H THR A 13 2.625 11.652 0.132 1.00 0.00 H new ATOM 0 HA THR A 13 4.878 10.200 -0.731 1.00 0.00 H new ATOM 0 HB THR A 13 3.873 11.932 0.993 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.593 12.203 1.327 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.381 12.379 2.890 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.847 11.484 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.393 10.603 3.000 1.00 0.00 H new ATOM 186 N PHE A 14 3.523 8.332 1.293 1.00 0.00 N ATOM 187 CA PHE A 14 2.887 7.077 1.723 1.00 0.00 C ATOM 188 C PHE A 14 2.140 6.170 0.745 1.00 0.00 C ATOM 189 O PHE A 14 2.316 4.956 0.889 1.00 0.00 O ATOM 190 CB PHE A 14 2.248 7.408 3.088 1.00 0.00 C ATOM 191 CG PHE A 14 0.891 6.928 3.541 1.00 0.00 C ATOM 192 CD1 PHE A 14 -0.226 7.392 2.864 1.00 0.00 C ATOM 193 CD2 PHE A 14 0.731 5.859 4.417 1.00 0.00 C ATOM 194 CE1 PHE A 14 -1.380 6.629 2.842 1.00 0.00 C ATOM 195 CE2 PHE A 14 -0.450 5.134 4.451 1.00 0.00 C ATOM 196 CZ PHE A 14 -1.491 5.477 3.604 1.00 0.00 C ATOM 0 H PHE A 14 3.159 9.046 1.924 1.00 0.00 H new ATOM 0 HA PHE A 14 3.653 6.305 1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.956 7.065 3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.218 8.496 3.150 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.196 8.345 2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.539 5.590 5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.208 6.936 2.221 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.558 4.305 5.135 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.373 4.858 3.539 1.00 0.00 H new ATOM 205 N GLY A 15 1.513 6.795 -0.255 1.00 0.00 N ATOM 206 CA GLY A 15 0.524 6.307 -1.208 1.00 0.00 C ATOM 207 C GLY A 15 0.979 5.851 -2.588 1.00 0.00 C ATOM 208 O GLY A 15 0.092 5.295 -3.246 1.00 0.00 O ATOM 0 H GLY A 15 1.716 7.779 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.005 5.470 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.212 7.099 -1.351 1.00 0.00 H new ATOM 212 N ILE A 16 2.140 6.320 -3.084 1.00 0.00 N ATOM 213 CA ILE A 16 3.071 5.580 -3.915 1.00 0.00 C ATOM 214 C ILE A 16 3.757 4.342 -3.289 1.00 0.00 C ATOM 215 O ILE A 16 3.811 3.347 -4.024 1.00 0.00 O ATOM 216 CB ILE A 16 3.947 6.429 -4.871 1.00 0.00 C ATOM 217 CG1 ILE A 16 4.801 7.665 -4.545 1.00 0.00 C ATOM 218 CG2 ILE A 16 3.540 6.397 -6.340 1.00 0.00 C ATOM 219 CD1 ILE A 16 4.112 8.948 -4.182 1.00 0.00 C ATOM 0 H ILE A 16 2.457 7.272 -2.899 1.00 0.00 H new ATOM 0 HA ILE A 16 2.376 5.091 -4.598 1.00 0.00 H new ATOM 0 HB ILE A 16 4.726 5.767 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.461 7.401 -3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.435 7.865 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.218 7.024 -6.919 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.589 5.372 -6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.522 6.772 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.858 9.718 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.475 9.265 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.502 8.794 -3.292 1.00 0.00 H new ATOM 230 N VAL A 17 4.043 4.325 -1.961 1.00 0.00 N ATOM 231 CA VAL A 17 4.431 3.227 -1.064 1.00 0.00 C ATOM 232 C VAL A 17 3.287 2.253 -0.715 1.00 0.00 C ATOM 233 O VAL A 17 3.593 1.061 -0.824 1.00 0.00 O ATOM 234 CB VAL A 17 5.258 3.623 0.196 1.00 0.00 C ATOM 235 CG1 VAL A 17 6.598 2.918 0.319 1.00 0.00 C ATOM 236 CG2 VAL A 17 5.843 5.023 0.233 1.00 0.00 C ATOM 0 H VAL A 17 3.998 5.199 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 17 5.134 2.680 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 17 4.485 3.409 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.104 3.254 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.439 1.841 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.214 3.152 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.392 5.163 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.519 5.157 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.038 5.755 0.173 1.00 0.00 H new ATOM 246 N MET A 18 2.021 2.688 -0.507 1.00 0.00 N ATOM 247 CA MET A 18 0.757 1.936 -0.476 1.00 0.00 C ATOM 248 C MET A 18 0.305 1.313 -1.804 1.00 0.00 C ATOM 249 O MET A 18 0.203 0.088 -1.728 1.00 0.00 O ATOM 250 CB MET A 18 -0.219 2.862 0.255 1.00 0.00 C ATOM 251 CG MET A 18 -1.621 2.505 0.754 1.00 0.00 C ATOM 252 SD MET A 18 -3.068 3.403 0.146 1.00 0.00 S ATOM 253 CE MET A 18 -3.326 3.045 -1.593 1.00 0.00 C ATOM 0 H MET A 18 1.849 3.680 -0.340 1.00 0.00 H new ATOM 0 HA MET A 18 0.853 0.995 0.066 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.320 3.217 1.133 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.355 3.719 -0.404 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.782 1.450 0.534 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.612 2.607 1.839 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.199 3.590 -1.951 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.448 3.352 -2.162 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.487 1.975 -1.724 1.00 0.00 H new ATOM 261 N MET A 19 0.471 1.963 -2.968 1.00 0.00 N ATOM 262 CA MET A 19 0.321 1.445 -4.326 1.00 0.00 C ATOM 263 C MET A 19 1.262 0.331 -4.793 1.00 0.00 C ATOM 264 O MET A 19 0.655 -0.648 -5.232 1.00 0.00 O ATOM 265 CB MET A 19 0.357 2.649 -5.297 1.00 0.00 C ATOM 266 CG MET A 19 -0.893 3.094 -6.043 1.00 0.00 C ATOM 267 SD MET A 19 -0.695 2.589 -7.763 1.00 0.00 S ATOM 268 CE MET A 19 -2.380 2.601 -8.363 1.00 0.00 C ATOM 0 H MET A 19 0.736 2.948 -2.977 1.00 0.00 H new ATOM 0 HA MET A 19 -0.635 0.922 -4.322 1.00 0.00 H new ATOM 0 HB2 MET A 19 0.711 3.508 -4.727 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.116 2.430 -6.048 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.783 2.639 -5.608 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.020 4.174 -5.971 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.395 2.307 -9.413 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.978 1.899 -7.782 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.795 3.604 -8.261 1.00 0.00 H new ATOM 276 N THR A 20 2.457 0.244 -4.195 1.00 0.00 N ATOM 277 CA THR A 20 3.431 -0.840 -4.312 1.00 0.00 C ATOM 278 C THR A 20 3.227 -2.047 -3.389 1.00 0.00 C ATOM 279 O THR A 20 3.226 -3.131 -3.973 1.00 0.00 O ATOM 280 CB THR A 20 4.906 -0.380 -4.240 1.00 0.00 C ATOM 281 OG1 THR A 20 5.212 0.721 -3.368 1.00 0.00 O ATOM 282 CG2 THR A 20 5.553 -0.077 -5.588 1.00 0.00 C ATOM 0 H THR A 20 2.788 0.982 -3.574 1.00 0.00 H new ATOM 0 HA THR A 20 3.217 -1.189 -5.322 1.00 0.00 H new ATOM 0 HB THR A 20 5.334 -1.282 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.718 1.516 -3.659 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.585 0.237 -5.434 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.535 -0.972 -6.210 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.001 0.721 -6.085 1.00 0.00 H new ATOM 290 N LEU A 21 2.714 -1.840 -2.169 1.00 0.00 N ATOM 291 CA LEU A 21 2.260 -2.787 -1.149 1.00 0.00 C ATOM 292 C LEU A 21 0.869 -3.414 -1.399 1.00 0.00 C ATOM 293 O LEU A 21 0.921 -4.644 -1.370 1.00 0.00 O ATOM 294 CB LEU A 21 2.461 -2.241 0.276 1.00 0.00 C ATOM 295 CG LEU A 21 3.735 -2.378 1.121 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.978 -1.634 0.664 1.00 0.00 C ATOM 297 CD2 LEU A 21 3.449 -2.039 2.576 1.00 0.00 C ATOM 0 H LEU A 21 2.594 -0.884 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 21 2.922 -3.647 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.263 -1.171 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.662 -2.678 0.875 1.00 0.00 H new ATOM 0 HG LEU A 21 3.996 -3.427 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.794 -1.828 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.261 -1.976 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.772 -0.564 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.364 -2.142 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.087 -1.013 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.691 -2.719 2.966 1.00 0.00 H new ATOM 308 N ILE A 22 -0.109 -2.744 -2.052 1.00 0.00 N ATOM 309 CA ILE A 22 -1.410 -3.179 -2.608 1.00 0.00 C ATOM 310 C ILE A 22 -1.418 -4.167 -3.784 1.00 0.00 C ATOM 311 O ILE A 22 -2.235 -5.093 -3.808 1.00 0.00 O ATOM 312 CB ILE A 22 -2.537 -2.129 -2.666 1.00 0.00 C ATOM 313 CG1 ILE A 22 -3.970 -2.542 -2.980 1.00 0.00 C ATOM 314 CG2 ILE A 22 -2.343 -0.797 -3.332 1.00 0.00 C ATOM 315 CD1 ILE A 22 -4.940 -2.927 -1.891 1.00 0.00 C ATOM 0 H ILE A 22 0.016 -1.746 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.688 -3.825 -1.775 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.397 -2.014 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.423 -1.717 -3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.912 -3.388 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.262 -0.215 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.532 -0.259 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.094 -0.948 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.902 -3.185 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.551 -3.786 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.070 -2.089 -1.206 1.00 0.00 H new ATOM 326 N VAL A 23 -0.618 -3.817 -4.800 1.00 0.00 N ATOM 327 CA VAL A 23 -0.237 -4.460 -6.052 1.00 0.00 C ATOM 328 C VAL A 23 0.726 -5.636 -5.788 1.00 0.00 C ATOM 329 O VAL A 23 0.708 -6.587 -6.574 1.00 0.00 O ATOM 330 CB VAL A 23 0.255 -3.297 -6.946 1.00 0.00 C ATOM 331 CG1 VAL A 23 0.755 -3.811 -8.287 1.00 0.00 C ATOM 332 CG2 VAL A 23 -0.809 -2.381 -7.546 1.00 0.00 C ATOM 0 H VAL A 23 -0.145 -2.915 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.041 -4.968 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 23 0.939 -2.809 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.094 -2.972 -8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.583 -4.501 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.054 -4.329 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.328 -1.611 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.481 -2.966 -8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.379 -1.911 -6.744 1.00 0.00 H new ATOM 342 N ILE A 24 1.335 -5.638 -4.585 1.00 0.00 N ATOM 343 CA ILE A 24 2.056 -6.714 -3.902 1.00 0.00 C ATOM 344 C ILE A 24 1.261 -7.718 -3.040 1.00 0.00 C ATOM 345 O ILE A 24 1.331 -8.918 -3.322 1.00 0.00 O ATOM 346 CB ILE A 24 3.491 -6.204 -3.581 1.00 0.00 C ATOM 347 CG1 ILE A 24 4.731 -6.500 -4.436 1.00 0.00 C ATOM 348 CG2 ILE A 24 3.987 -6.430 -2.169 1.00 0.00 C ATOM 349 CD1 ILE A 24 4.844 -5.728 -5.723 1.00 0.00 C ATOM 0 H ILE A 24 1.329 -4.793 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 24 2.236 -7.585 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 24 3.169 -5.194 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.618 -6.299 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.740 -7.564 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.997 -6.032 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.326 -5.923 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.995 -7.498 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.757 -6.019 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.982 -5.945 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.875 -4.660 -5.505 1.00 0.00 H new ATOM 360 N TYR A 25 0.282 -7.173 -2.305 1.00 0.00 N ATOM 361 CA TYR A 25 -0.912 -7.717 -1.633 1.00 0.00 C ATOM 362 C TYR A 25 -1.900 -8.503 -2.515 1.00 0.00 C ATOM 363 O TYR A 25 -1.875 -9.700 -2.236 1.00 0.00 O ATOM 364 CB TYR A 25 -1.376 -6.751 -0.524 1.00 0.00 C ATOM 365 CG TYR A 25 -0.910 -6.844 0.930 1.00 0.00 C ATOM 366 CD1 TYR A 25 0.414 -7.004 1.341 1.00 0.00 C ATOM 367 CD2 TYR A 25 -1.836 -6.642 1.956 1.00 0.00 C ATOM 368 CE1 TYR A 25 0.753 -6.976 2.698 1.00 0.00 C ATOM 369 CE2 TYR A 25 -1.506 -6.597 3.303 1.00 0.00 C ATOM 370 CZ TYR A 25 -0.192 -6.764 3.692 1.00 0.00 C ATOM 371 OH TYR A 25 0.103 -6.878 5.039 1.00 0.00 O ATOM 0 H TYR A 25 0.317 -6.167 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.667 -8.613 -1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.119 -5.748 -0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.464 -6.811 -0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.187 -7.151 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.873 -6.513 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.785 -7.124 2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.274 -6.432 4.044 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.700 -6.688 5.567 1.00 0.00 H new ATOM 380 N HIS A 26 -2.023 -8.139 -3.801 1.00 0.00 N ATOM 381 CA HIS A 26 -2.613 -8.863 -4.935 1.00 0.00 C ATOM 382 C HIS A 26 -1.909 -10.084 -5.540 1.00 0.00 C ATOM 383 O HIS A 26 -2.604 -10.930 -6.116 1.00 0.00 O ATOM 384 CB HIS A 26 -3.021 -7.775 -5.950 1.00 0.00 C ATOM 385 CG HIS A 26 -3.722 -7.907 -7.274 1.00 0.00 C ATOM 386 ND1 HIS A 26 -5.058 -8.142 -7.517 1.00 0.00 N ATOM 387 CD2 HIS A 26 -3.081 -8.282 -8.395 1.00 0.00 C ATOM 388 CE1 HIS A 26 -5.214 -8.717 -8.698 1.00 0.00 C ATOM 389 NE2 HIS A 26 -4.020 -8.813 -9.256 1.00 0.00 N ATOM 0 H HIS A 26 -1.672 -7.230 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.455 -9.431 -4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.641 -7.084 -5.378 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.093 -7.253 -6.181 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -2.023 -8.185 -8.587 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -6.148 -9.048 -9.128 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -3.824 -9.214 -10.173 1.00 0.00 H new ATOM 397 N ALA A 27 -0.604 -10.183 -5.256 1.00 0.00 N ATOM 398 CA ALA A 27 0.351 -11.246 -5.593 1.00 0.00 C ATOM 399 C ALA A 27 0.721 -12.215 -4.458 1.00 0.00 C ATOM 400 O ALA A 27 1.036 -13.362 -4.788 1.00 0.00 O ATOM 401 CB ALA A 27 1.530 -10.526 -6.243 1.00 0.00 C ATOM 0 H ALA A 27 -0.143 -9.442 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.107 -11.960 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.290 -11.254 -6.525 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.188 -9.996 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.955 -9.813 -5.537 1.00 0.00 H new ATOM 407 N VAL A 28 0.387 -11.857 -3.208 1.00 0.00 N ATOM 408 CA VAL A 28 0.460 -12.605 -1.950 1.00 0.00 C ATOM 409 C VAL A 28 -0.890 -13.190 -1.495 1.00 0.00 C ATOM 410 O VAL A 28 -0.969 -14.421 -1.490 1.00 0.00 O ATOM 411 CB VAL A 28 1.406 -11.961 -0.894 1.00 0.00 C ATOM 412 CG1 VAL A 28 2.528 -11.071 -1.397 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.043 -11.386 0.469 1.00 0.00 C ATOM 0 H VAL A 28 0.015 -10.922 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 28 1.002 -13.530 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 28 1.609 -13.009 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.102 -10.695 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.182 -11.646 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.107 -10.232 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.943 -11.013 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.334 -10.568 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.592 -12.165 1.084 1.00 0.00 H new ATOM 423 N ASP A 29 -1.892 -12.354 -1.179 1.00 0.00 N ATOM 424 CA ASP A 29 -3.352 -12.498 -1.036 1.00 0.00 C ATOM 425 C ASP A 29 -4.226 -12.955 -2.229 1.00 0.00 C ATOM 426 O ASP A 29 -5.429 -13.185 -2.071 1.00 0.00 O ATOM 427 CB ASP A 29 -3.777 -11.158 -0.410 1.00 0.00 C ATOM 428 CG ASP A 29 -4.592 -11.210 0.888 1.00 0.00 C ATOM 429 OD1 ASP A 29 -5.819 -11.444 0.841 1.00 0.00 O ATOM 430 OD2 ASP A 29 -4.133 -10.668 1.920 1.00 0.00 O ATOM 0 H ASP A 29 -1.646 -11.384 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.549 -13.383 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.876 -10.575 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.359 -10.610 -1.151 1.00 0.00 H new ATOM 434 N SER A 30 -3.609 -13.174 -3.401 1.00 0.00 N ATOM 435 CA SER A 30 -3.820 -14.107 -4.524 1.00 0.00 C ATOM 436 C SER A 30 -4.443 -15.500 -4.311 1.00 0.00 C ATOM 437 O SER A 30 -4.291 -16.043 -3.215 1.00 0.00 O ATOM 438 CB SER A 30 -2.421 -14.137 -5.150 1.00 0.00 C ATOM 439 OG SER A 30 -2.194 -14.791 -6.388 1.00 0.00 O ATOM 0 H SER A 30 -2.801 -12.590 -3.619 1.00 0.00 H new ATOM 0 HA SER A 30 -4.640 -13.741 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.102 -13.102 -5.271 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.753 -14.593 -4.419 1.00 0.00 H new ATOM 0 HG SER A 30 -1.249 -14.708 -6.633 1.00 0.00 H new ATOM 444 N THR A 31 -5.174 -16.046 -5.303 1.00 0.00 N ATOM 445 CA THR A 31 -5.985 -17.276 -5.281 1.00 0.00 C ATOM 446 C THR A 31 -5.091 -18.511 -5.503 1.00 0.00 C ATOM 447 O THR A 31 -4.587 -18.778 -6.599 1.00 0.00 O ATOM 448 CB THR A 31 -7.317 -17.064 -6.066 1.00 0.00 C ATOM 449 OG1 THR A 31 -8.013 -15.897 -5.602 1.00 0.00 O ATOM 450 CG2 THR A 31 -8.459 -18.073 -5.989 1.00 0.00 C ATOM 0 H THR A 31 -5.214 -15.598 -6.218 1.00 0.00 H new ATOM 0 HA THR A 31 -6.395 -17.526 -4.302 1.00 0.00 H new ATOM 0 HB THR A 31 -6.884 -17.082 -7.066 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.754 -15.695 -6.210 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.288 -17.732 -6.609 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.113 -19.043 -6.347 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.793 -18.166 -4.956 1.00 0.00 H new ATOM 458 N MET A 32 -4.724 -18.983 -4.297 1.00 0.00 N ATOM 459 CA MET A 32 -3.559 -19.674 -3.711 1.00 0.00 C ATOM 460 C MET A 32 -3.858 -20.237 -2.304 1.00 0.00 C ATOM 461 O MET A 32 -4.881 -19.858 -1.731 1.00 0.00 O ATOM 462 CB MET A 32 -2.270 -18.835 -3.652 1.00 0.00 C ATOM 463 CG MET A 32 -1.248 -19.021 -4.762 1.00 0.00 C ATOM 464 SD MET A 32 0.406 -19.450 -4.185 1.00 0.00 S ATOM 465 CE MET A 32 1.280 -19.077 -5.703 1.00 0.00 C ATOM 0 H MET A 32 -5.401 -18.854 -3.545 1.00 0.00 H new ATOM 0 HA MET A 32 -3.376 -20.492 -4.407 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.556 -17.783 -3.634 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.776 -19.047 -2.704 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.599 -19.803 -5.436 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.190 -18.101 -5.344 1.00 0.00 H new ATOM 0 HE1 MET A 32 2.343 -19.275 -5.569 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.893 -19.702 -6.508 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.136 -18.027 -5.957 1.00 0.00 H new ATOM 473 N SER A 33 -3.076 -21.200 -1.781 1.00 0.00 N ATOM 474 CA SER A 33 -2.902 -21.690 -0.394 1.00 0.00 C ATOM 475 C SER A 33 -2.882 -20.757 0.838 1.00 0.00 C ATOM 476 O SER A 33 -2.255 -19.707 0.696 1.00 0.00 O ATOM 477 CB SER A 33 -1.721 -22.682 -0.374 1.00 0.00 C ATOM 478 OG SER A 33 -2.102 -24.006 -0.708 1.00 0.00 O ATOM 0 H SER A 33 -2.466 -21.727 -2.406 1.00 0.00 H new ATOM 0 HA SER A 33 -3.885 -22.123 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.957 -22.343 -1.074 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.269 -22.680 0.618 1.00 0.00 H new ATOM 0 HG SER A 33 -1.315 -24.589 -0.681 1.00 0.00 H new ATOM 483 N PRO A 34 -3.695 -20.929 1.922 1.00 0.00 N ATOM 484 CA PRO A 34 -3.640 -20.160 3.191 1.00 0.00 C ATOM 485 C PRO A 34 -2.536 -20.339 4.249 1.00 0.00 C ATOM 486 O PRO A 34 -2.138 -21.469 4.548 1.00 0.00 O ATOM 487 CB PRO A 34 -5.050 -20.237 3.799 1.00 0.00 C ATOM 488 CG PRO A 34 -5.958 -20.986 2.903 1.00 0.00 C ATOM 489 CD PRO A 34 -5.073 -21.456 1.780 1.00 0.00 C ATOM 0 HA PRO A 34 -3.300 -19.178 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.007 -20.724 4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.438 -19.232 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.423 -21.825 3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.765 -20.352 2.535 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.048 -22.546 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.491 -21.134 0.826 1.00 0.00 H new ATOM 494 N LYS A 35 -1.877 -19.181 4.437 1.00 0.00 N ATOM 495 CA LYS A 35 -0.760 -18.787 5.311 1.00 0.00 C ATOM 496 C LYS A 35 -1.085 -18.194 6.695 1.00 0.00 C ATOM 497 O LYS A 35 -0.640 -18.870 7.633 1.00 0.00 O ATOM 498 CB LYS A 35 0.399 -18.160 4.510 1.00 0.00 C ATOM 499 CG LYS A 35 0.706 -16.777 3.935 1.00 0.00 C ATOM 500 CD LYS A 35 1.592 -15.891 4.814 1.00 0.00 C ATOM 501 CE LYS A 35 2.416 -14.828 4.120 1.00 0.00 C ATOM 502 NZ LYS A 35 1.855 -13.488 3.781 1.00 0.00 N ATOM 0 H LYS A 35 -2.167 -18.372 3.888 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.368 -19.728 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.268 -18.364 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.475 -18.810 3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.191 -16.902 2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.236 -16.258 3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.954 -15.398 5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.273 -16.538 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.293 -14.653 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.771 -15.265 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.585 -12.915 3.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.042 -13.603 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.547 -13.010 4.652 1.00 0.00 H new ATOM 512 N ASN A 36 -2.103 -17.310 6.800 1.00 0.00 N ATOM 513 CA ASN A 36 -2.469 -16.435 7.930 1.00 0.00 C ATOM 514 C ASN A 36 -3.496 -17.242 8.748 1.00 0.00 C ATOM 515 O ASN A 36 -4.599 -17.545 8.234 1.00 0.00 O ATOM 516 CB ASN A 36 -3.127 -15.030 7.783 1.00 0.00 C ATOM 517 CG ASN A 36 -2.869 -13.789 8.601 1.00 0.00 C ATOM 518 OD1 ASN A 36 -3.689 -13.668 9.508 1.00 0.00 O ATOM 519 ND2 ASN A 36 -2.327 -12.697 8.067 1.00 0.00 N ATOM 520 OXT ASN A 36 -3.266 -17.555 9.936 1.00 0.00 O ATOM 0 H ASN A 36 -2.748 -17.181 6.020 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.482 -16.182 8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.936 -14.734 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.199 -15.209 7.870 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.594 -11.775 8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.645 -12.782 7.313 1.00 0.00 H new TER 526 ASN A 36