USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 284 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.86 K(o=-1.9,f=-7.9!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.79 K(o=-1.8,f=-8.3!) USER MOD Single : A 13 THR OG1 : rot 162:sc= 1.63 USER MOD Single : A 18 THR OG1 : rot 75:sc= 0.65 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -12:sc= 0.649 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -7.19! C(o=-7.2!,f=-6.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.352 -4.763 -5.494 1.00 0.00 N ATOM 2 CA MET A 1 5.567 -3.909 -5.545 1.00 0.00 C ATOM 3 C MET A 1 6.452 -4.312 -6.721 1.00 0.00 C ATOM 4 O MET A 1 7.136 -5.335 -6.675 1.00 0.00 O ATOM 5 CB MET A 1 6.316 -4.061 -4.212 1.00 0.00 C ATOM 6 CG MET A 1 7.531 -3.151 -4.049 1.00 0.00 C ATOM 7 SD MET A 1 8.873 -3.515 -5.200 1.00 0.00 S ATOM 8 CE MET A 1 10.080 -2.285 -4.713 1.00 0.00 C ATOM 0 H1 MET A 1 3.760 -4.477 -4.688 1.00 0.00 H new ATOM 0 H2 MET A 1 3.813 -4.653 -6.376 1.00 0.00 H new ATOM 0 H3 MET A 1 4.632 -5.758 -5.381 1.00 0.00 H new ATOM 0 HA MET A 1 5.289 -2.865 -5.691 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.620 -3.863 -3.397 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.640 -5.097 -4.110 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.219 -2.116 -4.185 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.905 -3.239 -3.029 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.970 -2.382 -5.335 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.656 -1.289 -4.839 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.350 -2.434 -3.668 1.00 0.00 H new ATOM 20 N GLY A 2 6.431 -3.501 -7.774 1.00 0.00 N ATOM 21 CA GLY A 2 7.233 -3.788 -8.949 1.00 0.00 C ATOM 22 C GLY A 2 7.584 -2.536 -9.729 1.00 0.00 C ATOM 23 O GLY A 2 8.602 -1.897 -9.464 1.00 0.00 O ATOM 0 H GLY A 2 5.872 -2.650 -7.834 1.00 0.00 H new ATOM 0 HA2 GLY A 2 8.150 -4.293 -8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.690 -4.476 -9.597 1.00 0.00 H new ATOM 27 N ILE A 3 6.737 -2.183 -10.691 1.00 0.00 N ATOM 28 CA ILE A 3 6.961 -0.998 -11.510 1.00 0.00 C ATOM 29 C ILE A 3 7.063 0.258 -10.648 1.00 0.00 C ATOM 30 O ILE A 3 7.007 0.182 -9.421 1.00 0.00 O ATOM 31 CB ILE A 3 5.844 -0.825 -12.563 1.00 0.00 C ATOM 32 CG1 ILE A 3 4.460 -0.772 -11.902 1.00 0.00 C ATOM 33 CG2 ILE A 3 5.902 -1.955 -13.579 1.00 0.00 C ATOM 34 CD1 ILE A 3 4.261 0.406 -10.971 1.00 0.00 C ATOM 0 H ILE A 3 5.889 -2.701 -10.922 1.00 0.00 H new ATOM 0 HA ILE A 3 7.908 -1.140 -12.030 1.00 0.00 H new ATOM 0 HB ILE A 3 6.006 0.123 -13.076 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.699 -0.737 -12.681 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.302 -1.694 -11.342 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.110 -1.823 -14.316 1.00 0.00 H new ATOM 0 HG22 ILE A 3 6.870 -1.944 -14.080 1.00 0.00 H new ATOM 0 HG23 ILE A 3 5.768 -2.909 -13.070 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.258 0.369 -10.546 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.997 0.364 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.385 1.335 -11.528 1.00 0.00 H new ATOM 46 N ASN A 4 7.214 1.412 -11.293 1.00 0.00 N ATOM 47 CA ASN A 4 7.325 2.674 -10.571 1.00 0.00 C ATOM 48 C ASN A 4 6.156 3.609 -10.904 1.00 0.00 C ATOM 49 O ASN A 4 5.100 3.521 -10.277 1.00 0.00 O ATOM 50 CB ASN A 4 8.670 3.345 -10.875 1.00 0.00 C ATOM 51 CG ASN A 4 8.840 4.665 -10.146 1.00 0.00 C ATOM 52 OD1 ASN A 4 8.057 5.596 -10.328 1.00 0.00 O ATOM 53 ND2 ASN A 4 9.872 4.751 -9.314 1.00 0.00 N ATOM 0 H ASN A 4 7.262 1.498 -12.308 1.00 0.00 H new ATOM 0 HA ASN A 4 7.280 2.461 -9.503 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.480 2.672 -10.594 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.754 3.513 -11.949 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.039 5.614 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.497 3.954 -9.193 1.00 0.00 H new ATOM 60 N THR A 5 6.350 4.499 -11.888 1.00 0.00 N ATOM 61 CA THR A 5 5.321 5.457 -12.307 1.00 0.00 C ATOM 62 C THR A 5 4.345 5.752 -11.150 1.00 0.00 C ATOM 63 O THR A 5 4.791 5.977 -10.024 1.00 0.00 O ATOM 64 CB THR A 5 4.599 4.922 -13.549 1.00 0.00 C ATOM 65 OG1 THR A 5 5.539 4.573 -14.550 1.00 0.00 O ATOM 66 CG2 THR A 5 3.643 5.917 -14.176 1.00 0.00 C ATOM 0 H THR A 5 7.221 4.574 -12.413 1.00 0.00 H new ATOM 0 HA THR A 5 5.791 6.404 -12.571 1.00 0.00 H new ATOM 0 HB THR A 5 4.029 4.062 -13.198 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.066 4.231 -15.338 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.170 5.467 -15.049 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.878 6.193 -13.451 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.193 6.808 -14.480 1.00 0.00 H new ATOM 74 N ARG A 6 3.033 5.745 -11.408 1.00 0.00 N ATOM 75 CA ARG A 6 2.037 6.003 -10.366 1.00 0.00 C ATOM 76 C ARG A 6 2.058 7.462 -9.907 1.00 0.00 C ATOM 77 O ARG A 6 1.011 8.097 -9.785 1.00 0.00 O ATOM 78 CB ARG A 6 2.257 5.051 -9.186 1.00 0.00 C ATOM 79 CG ARG A 6 2.031 3.592 -9.554 1.00 0.00 C ATOM 80 CD ARG A 6 2.379 2.652 -8.411 1.00 0.00 C ATOM 81 NE ARG A 6 3.804 2.680 -8.093 1.00 0.00 N ATOM 82 CZ ARG A 6 4.368 1.926 -7.152 1.00 0.00 C ATOM 83 NH1 ARG A 6 3.627 1.109 -6.412 1.00 0.00 N ATOM 84 NH2 ARG A 6 5.677 1.988 -6.950 1.00 0.00 N ATOM 0 H ARG A 6 2.637 5.563 -12.330 1.00 0.00 H new ATOM 0 HA ARG A 6 1.049 5.819 -10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.273 5.173 -8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.583 5.325 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.988 3.447 -9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.635 3.341 -10.426 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.805 2.929 -7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 6 2.087 1.636 -8.676 1.00 0.00 H new ATOM 0 HE ARG A 6 4.402 3.314 -8.623 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.620 1.057 -6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.065 0.534 -5.693 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.251 2.613 -7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.110 1.411 -6.229 1.00 0.00 H new ATOM 98 N GLU A 7 3.253 7.988 -9.672 1.00 0.00 N ATOM 99 CA GLU A 7 3.429 9.376 -9.243 1.00 0.00 C ATOM 100 C GLU A 7 2.868 9.596 -7.835 1.00 0.00 C ATOM 101 O GLU A 7 3.610 9.936 -6.913 1.00 0.00 O ATOM 102 CB GLU A 7 2.764 10.329 -10.244 1.00 0.00 C ATOM 103 CG GLU A 7 3.081 11.803 -10.013 1.00 0.00 C ATOM 104 CD GLU A 7 2.590 12.325 -8.678 1.00 0.00 C ATOM 105 OE1 GLU A 7 1.363 12.304 -8.449 1.00 0.00 O ATOM 106 OE2 GLU A 7 3.432 12.756 -7.862 1.00 0.00 O ATOM 0 H GLU A 7 4.126 7.470 -9.772 1.00 0.00 H new ATOM 0 HA GLU A 7 4.498 9.589 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.078 10.056 -11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.684 10.190 -10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.159 11.949 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.632 12.393 -10.812 1.00 0.00 H new ATOM 113 N LEU A 8 1.560 9.398 -7.667 1.00 0.00 N ATOM 114 CA LEU A 8 0.926 9.577 -6.359 1.00 0.00 C ATOM 115 C LEU A 8 0.327 8.272 -5.852 1.00 0.00 C ATOM 116 O LEU A 8 0.199 8.056 -4.647 1.00 0.00 O ATOM 117 CB LEU A 8 -0.160 10.663 -6.392 1.00 0.00 C ATOM 118 CG LEU A 8 -1.388 10.369 -7.264 1.00 0.00 C ATOM 119 CD1 LEU A 8 -2.418 11.478 -7.113 1.00 0.00 C ATOM 120 CD2 LEU A 8 -1.001 10.213 -8.727 1.00 0.00 C ATOM 0 H LEU A 8 0.923 9.116 -8.412 1.00 0.00 H new ATOM 0 HA LEU A 8 1.711 9.897 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.499 10.839 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.294 11.590 -6.741 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.822 9.428 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.284 11.257 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.729 11.546 -6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.980 12.426 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.892 10.005 -9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.537 11.134 -9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.296 9.388 -8.831 1.00 0.00 H new ATOM 132 N PHE A 9 -0.031 7.404 -6.779 1.00 0.00 N ATOM 133 CA PHE A 9 -0.609 6.114 -6.438 1.00 0.00 C ATOM 134 C PHE A 9 0.433 5.228 -5.760 1.00 0.00 C ATOM 135 O PHE A 9 0.101 4.243 -5.103 1.00 0.00 O ATOM 136 CB PHE A 9 -1.175 5.447 -7.701 1.00 0.00 C ATOM 137 CG PHE A 9 -1.822 4.105 -7.476 1.00 0.00 C ATOM 138 CD1 PHE A 9 -1.074 3.006 -7.082 1.00 0.00 C ATOM 139 CD2 PHE A 9 -3.188 3.949 -7.655 1.00 0.00 C ATOM 140 CE1 PHE A 9 -1.675 1.779 -6.873 1.00 0.00 C ATOM 141 CE2 PHE A 9 -3.794 2.725 -7.449 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.037 1.638 -7.058 1.00 0.00 C ATOM 0 H PHE A 9 0.068 7.569 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.428 6.261 -5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.909 6.117 -8.150 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.368 5.328 -8.424 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.009 3.110 -6.937 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.786 4.795 -7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.081 0.931 -6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.859 2.618 -7.594 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.509 0.680 -6.897 1.00 0.00 H new ATOM 152 N LEU A 10 1.696 5.602 -5.913 1.00 0.00 N ATOM 153 CA LEU A 10 2.800 4.872 -5.325 1.00 0.00 C ATOM 154 C LEU A 10 2.852 5.068 -3.812 1.00 0.00 C ATOM 155 O LEU A 10 2.778 4.102 -3.056 1.00 0.00 O ATOM 156 CB LEU A 10 4.096 5.341 -5.992 1.00 0.00 C ATOM 157 CG LEU A 10 5.398 4.760 -5.444 1.00 0.00 C ATOM 158 CD1 LEU A 10 6.561 5.197 -6.321 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.622 5.223 -4.017 1.00 0.00 C ATOM 0 H LEU A 10 1.980 6.422 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 10 2.666 3.804 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.038 5.103 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.147 6.427 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 10 5.331 3.672 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.489 4.781 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.405 4.838 -7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.624 6.285 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.553 4.801 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.680 6.311 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.793 4.890 -3.392 1.00 0.00 H new ATOM 171 N ASN A 11 2.996 6.317 -3.379 1.00 0.00 N ATOM 172 CA ASN A 11 3.082 6.630 -1.954 1.00 0.00 C ATOM 173 C ASN A 11 1.796 6.271 -1.213 1.00 0.00 C ATOM 174 O ASN A 11 1.837 5.864 -0.054 1.00 0.00 O ATOM 175 CB ASN A 11 3.407 8.112 -1.751 1.00 0.00 C ATOM 176 CG ASN A 11 2.373 9.026 -2.377 1.00 0.00 C ATOM 177 OD1 ASN A 11 2.166 9.006 -3.590 1.00 0.00 O ATOM 178 ND2 ASN A 11 1.719 9.834 -1.551 1.00 0.00 N ATOM 0 H ASN A 11 3.056 7.129 -3.993 1.00 0.00 H new ATOM 0 HA ASN A 11 3.886 6.024 -1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.474 8.323 -0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.385 8.328 -2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.012 10.472 -1.916 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.924 9.816 -0.552 1.00 0.00 H new ATOM 185 N PHE A 12 0.659 6.426 -1.874 1.00 0.00 N ATOM 186 CA PHE A 12 -0.622 6.117 -1.250 1.00 0.00 C ATOM 187 C PHE A 12 -0.839 4.608 -1.143 1.00 0.00 C ATOM 188 O PHE A 12 -0.965 4.060 -0.045 1.00 0.00 O ATOM 189 CB PHE A 12 -1.765 6.752 -2.045 1.00 0.00 C ATOM 190 CG PHE A 12 -3.124 6.489 -1.458 1.00 0.00 C ATOM 191 CD1 PHE A 12 -3.431 6.907 -0.174 1.00 0.00 C ATOM 192 CD2 PHE A 12 -4.093 5.825 -2.193 1.00 0.00 C ATOM 193 CE1 PHE A 12 -4.679 6.666 0.369 1.00 0.00 C ATOM 194 CE2 PHE A 12 -5.344 5.583 -1.656 1.00 0.00 C ATOM 195 CZ PHE A 12 -5.637 6.003 -0.374 1.00 0.00 C ATOM 0 H PHE A 12 0.595 6.761 -2.835 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.610 6.531 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.604 7.829 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.740 6.373 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.686 7.427 0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.869 5.493 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.905 6.995 1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.091 5.066 -2.239 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.613 5.814 0.047 1.00 0.00 H new ATOM 205 N THR A 13 -0.900 3.950 -2.293 1.00 0.00 N ATOM 206 CA THR A 13 -1.128 2.510 -2.345 1.00 0.00 C ATOM 207 C THR A 13 -0.006 1.710 -1.682 1.00 0.00 C ATOM 208 O THR A 13 -0.165 0.517 -1.447 1.00 0.00 O ATOM 209 CB THR A 13 -1.300 2.055 -3.795 1.00 0.00 C ATOM 210 OG1 THR A 13 -2.385 2.730 -4.407 1.00 0.00 O ATOM 211 CG2 THR A 13 -1.551 0.568 -3.932 1.00 0.00 C ATOM 0 H THR A 13 -0.794 4.392 -3.206 1.00 0.00 H new ATOM 0 HA THR A 13 -2.041 2.315 -1.783 1.00 0.00 H new ATOM 0 HB THR A 13 -0.356 2.295 -4.285 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.312 2.651 -5.381 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.664 0.314 -4.986 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.709 0.017 -3.514 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.462 0.302 -3.395 1.00 0.00 H new ATOM 219 N ILE A 14 1.121 2.349 -1.373 1.00 0.00 N ATOM 220 CA ILE A 14 2.223 1.632 -0.737 1.00 0.00 C ATOM 221 C ILE A 14 2.073 1.690 0.761 1.00 0.00 C ATOM 222 O ILE A 14 2.012 0.678 1.452 1.00 0.00 O ATOM 223 CB ILE A 14 3.608 2.193 -1.139 1.00 0.00 C ATOM 224 CG1 ILE A 14 4.727 1.293 -0.615 1.00 0.00 C ATOM 225 CG2 ILE A 14 3.815 3.616 -0.642 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.675 -0.119 -1.156 1.00 0.00 C ATOM 0 H ILE A 14 1.293 3.339 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 14 2.176 0.600 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 14 3.640 2.212 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.689 1.736 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.674 1.258 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.800 3.968 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.050 4.265 -1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.744 3.636 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.499 -0.698 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.729 -0.581 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.760 -0.096 -2.242 1.00 0.00 H new ATOM 238 N VAL A 15 1.971 2.895 1.244 1.00 0.00 N ATOM 239 CA VAL A 15 1.777 3.127 2.666 1.00 0.00 C ATOM 240 C VAL A 15 0.603 2.295 3.164 1.00 0.00 C ATOM 241 O VAL A 15 0.524 1.941 4.339 1.00 0.00 O ATOM 242 CB VAL A 15 1.491 4.609 2.955 1.00 0.00 C ATOM 243 CG1 VAL A 15 1.260 4.835 4.443 1.00 0.00 C ATOM 244 CG2 VAL A 15 2.629 5.480 2.450 1.00 0.00 C ATOM 0 H VAL A 15 2.018 3.743 0.679 1.00 0.00 H new ATOM 0 HA VAL A 15 2.694 2.840 3.181 1.00 0.00 H new ATOM 0 HB VAL A 15 0.581 4.891 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.059 5.891 4.624 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.407 4.242 4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.148 4.534 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.409 6.526 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.555 5.195 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.741 5.345 1.374 1.00 0.00 H new ATOM 254 N LEU A 16 -0.312 1.996 2.247 1.00 0.00 N ATOM 255 CA LEU A 16 -1.495 1.217 2.569 1.00 0.00 C ATOM 256 C LEU A 16 -1.207 -0.278 2.578 1.00 0.00 C ATOM 257 O LEU A 16 -1.326 -0.920 3.623 1.00 0.00 O ATOM 258 CB LEU A 16 -2.626 1.530 1.588 1.00 0.00 C ATOM 259 CG LEU A 16 -3.923 0.760 1.837 1.00 0.00 C ATOM 260 CD1 LEU A 16 -4.470 1.073 3.221 1.00 0.00 C ATOM 261 CD2 LEU A 16 -4.952 1.094 0.767 1.00 0.00 C ATOM 0 H LEU A 16 -0.253 2.285 1.271 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.805 1.500 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.840 2.598 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.281 1.315 0.577 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.708 -0.307 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.393 0.517 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.737 0.786 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.672 2.141 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.870 0.538 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.165 2.163 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.560 0.821 -0.213 1.00 0.00 H new ATOM 273 N ILE A 17 -0.835 -0.851 1.427 1.00 0.00 N ATOM 274 CA ILE A 17 -0.558 -2.269 1.380 1.00 0.00 C ATOM 275 C ILE A 17 0.557 -2.594 2.363 1.00 0.00 C ATOM 276 O ILE A 17 0.711 -3.732 2.801 1.00 0.00 O ATOM 277 CB ILE A 17 -0.175 -2.770 -0.037 1.00 0.00 C ATOM 278 CG1 ILE A 17 1.329 -2.670 -0.314 1.00 0.00 C ATOM 279 CG2 ILE A 17 -0.965 -2.042 -1.116 1.00 0.00 C ATOM 280 CD1 ILE A 17 1.885 -1.286 -0.205 1.00 0.00 C ATOM 0 H ILE A 17 -0.724 -0.358 0.541 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.477 -2.787 1.654 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.438 -3.827 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.859 -3.318 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.528 -3.051 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.672 -2.417 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.031 -2.214 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.758 -0.973 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.954 -1.306 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.385 -0.636 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.721 -0.907 0.804 1.00 0.00 H new ATOM 292 N THR A 18 1.319 -1.566 2.718 1.00 0.00 N ATOM 293 CA THR A 18 2.409 -1.724 3.666 1.00 0.00 C ATOM 294 C THR A 18 1.861 -1.929 5.071 1.00 0.00 C ATOM 295 O THR A 18 2.215 -2.886 5.748 1.00 0.00 O ATOM 296 CB THR A 18 3.340 -0.509 3.630 1.00 0.00 C ATOM 297 OG1 THR A 18 3.941 -0.375 2.355 1.00 0.00 O ATOM 298 CG2 THR A 18 4.453 -0.574 4.656 1.00 0.00 C ATOM 0 H THR A 18 1.200 -0.617 2.363 1.00 0.00 H new ATOM 0 HA THR A 18 2.985 -2.605 3.382 1.00 0.00 H new ATOM 0 HB THR A 18 2.705 0.346 3.860 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.282 -0.028 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.075 0.318 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.023 -0.627 5.656 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.063 -1.459 4.476 1.00 0.00 H new ATOM 306 N VAL A 19 0.985 -1.033 5.512 1.00 0.00 N ATOM 307 CA VAL A 19 0.409 -1.152 6.844 1.00 0.00 C ATOM 308 C VAL A 19 -0.291 -2.501 7.021 1.00 0.00 C ATOM 309 O VAL A 19 0.126 -3.332 7.833 1.00 0.00 O ATOM 310 CB VAL A 19 -0.591 -0.010 7.127 1.00 0.00 C ATOM 311 CG1 VAL A 19 -1.163 -0.124 8.534 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.074 1.344 6.926 1.00 0.00 C ATOM 0 H VAL A 19 0.663 -0.228 4.975 1.00 0.00 H new ATOM 0 HA VAL A 19 1.230 -1.082 7.557 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.416 -0.098 6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.864 0.692 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.681 -1.077 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.353 -0.068 9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.646 2.137 7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.920 1.438 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.425 1.428 5.897 1.00 0.00 H new ATOM 322 N ILE A 20 -1.362 -2.704 6.259 1.00 0.00 N ATOM 323 CA ILE A 20 -2.147 -3.935 6.324 1.00 0.00 C ATOM 324 C ILE A 20 -1.280 -5.200 6.333 1.00 0.00 C ATOM 325 O ILE A 20 -1.429 -6.047 7.213 1.00 0.00 O ATOM 326 CB ILE A 20 -3.156 -4.011 5.155 1.00 0.00 C ATOM 327 CG1 ILE A 20 -3.975 -5.302 5.229 1.00 0.00 C ATOM 328 CG2 ILE A 20 -2.440 -3.907 3.818 1.00 0.00 C ATOM 329 CD1 ILE A 20 -4.768 -5.443 6.510 1.00 0.00 C ATOM 0 H ILE A 20 -1.710 -2.025 5.582 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.684 -3.897 7.272 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.840 -3.167 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.660 -5.337 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.303 -6.155 5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.169 -3.963 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.909 -2.957 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -1.728 -4.727 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.324 -6.381 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.087 -5.440 7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.465 -4.610 6.600 1.00 0.00 H new ATOM 341 N LEU A 21 -0.395 -5.339 5.350 1.00 0.00 N ATOM 342 CA LEU A 21 0.461 -6.522 5.256 1.00 0.00 C ATOM 343 C LEU A 21 1.313 -6.727 6.507 1.00 0.00 C ATOM 344 O LEU A 21 1.618 -7.858 6.878 1.00 0.00 O ATOM 345 CB LEU A 21 1.346 -6.440 4.014 1.00 0.00 C ATOM 346 CG LEU A 21 0.585 -6.485 2.689 1.00 0.00 C ATOM 347 CD1 LEU A 21 1.540 -6.326 1.517 1.00 0.00 C ATOM 348 CD2 LEU A 21 -0.191 -7.787 2.570 1.00 0.00 C ATOM 0 H LEU A 21 -0.251 -4.652 4.610 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.196 -7.388 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.924 -5.517 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.060 -7.264 4.037 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.122 -5.656 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.979 -6.361 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.056 -5.369 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.271 -7.134 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.728 -7.805 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.501 -8.628 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.903 -7.863 3.392 1.00 0.00 H new ATOM 360 N MET A 22 1.700 -5.650 7.165 1.00 0.00 N ATOM 361 CA MET A 22 2.509 -5.775 8.368 1.00 0.00 C ATOM 362 C MET A 22 1.734 -6.391 9.532 1.00 0.00 C ATOM 363 O MET A 22 2.067 -7.490 9.977 1.00 0.00 O ATOM 364 CB MET A 22 3.127 -4.432 8.757 1.00 0.00 C ATOM 365 CG MET A 22 4.443 -4.145 8.042 1.00 0.00 C ATOM 366 SD MET A 22 4.350 -4.352 6.253 1.00 0.00 S ATOM 367 CE MET A 22 6.031 -3.962 5.775 1.00 0.00 C ATOM 0 H MET A 22 1.473 -4.693 6.895 1.00 0.00 H new ATOM 0 HA MET A 22 3.320 -6.466 8.135 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.418 -3.635 8.533 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.295 -4.415 9.834 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.754 -3.125 8.266 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.214 -4.807 8.437 1.00 0.00 H new ATOM 0 HE1 MET A 22 6.130 -4.047 4.693 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.270 -2.944 6.083 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.717 -4.658 6.258 1.00 0.00 H new ATOM 377 N TRP A 23 0.696 -5.715 10.022 1.00 0.00 N ATOM 378 CA TRP A 23 -0.064 -6.269 11.136 1.00 0.00 C ATOM 379 C TRP A 23 -0.859 -7.492 10.731 1.00 0.00 C ATOM 380 O TRP A 23 -1.442 -8.163 11.581 1.00 0.00 O ATOM 381 CB TRP A 23 -0.988 -5.270 11.828 1.00 0.00 C ATOM 382 CG TRP A 23 -1.781 -4.467 10.887 1.00 0.00 C ATOM 383 CD1 TRP A 23 -1.262 -3.594 10.027 1.00 0.00 C ATOM 384 CD2 TRP A 23 -3.195 -4.466 10.690 1.00 0.00 C ATOM 385 NE1 TRP A 23 -2.258 -2.997 9.290 1.00 0.00 N ATOM 386 CE2 TRP A 23 -3.463 -3.524 9.682 1.00 0.00 C ATOM 387 CE3 TRP A 23 -4.257 -5.160 11.268 1.00 0.00 C ATOM 388 CZ2 TRP A 23 -4.755 -3.255 9.238 1.00 0.00 C ATOM 389 CZ3 TRP A 23 -5.542 -4.897 10.828 1.00 0.00 C ATOM 390 CH2 TRP A 23 -5.781 -3.952 9.821 1.00 0.00 C ATOM 0 H TRP A 23 0.371 -4.812 9.677 1.00 0.00 H new ATOM 0 HA TRP A 23 0.699 -6.553 11.861 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.662 -5.809 12.493 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.391 -4.604 12.451 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.208 -3.384 9.923 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.124 -2.284 8.574 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.080 -5.889 12.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -4.941 -2.525 8.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.374 -5.428 11.267 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -6.795 -3.769 9.498 1.00 0.00 H new ATOM 401 N LEU A 24 -0.902 -7.780 9.436 1.00 0.00 N ATOM 402 CA LEU A 24 -1.653 -8.928 8.968 1.00 0.00 C ATOM 403 C LEU A 24 -0.778 -9.912 8.194 1.00 0.00 C ATOM 404 O LEU A 24 -0.642 -11.069 8.588 1.00 0.00 O ATOM 405 CB LEU A 24 -2.847 -8.473 8.116 1.00 0.00 C ATOM 406 CG LEU A 24 -3.791 -9.581 7.633 1.00 0.00 C ATOM 407 CD1 LEU A 24 -3.078 -10.544 6.695 1.00 0.00 C ATOM 408 CD2 LEU A 24 -4.375 -10.331 8.821 1.00 0.00 C ATOM 0 H LEU A 24 -0.434 -7.243 8.706 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.026 -9.456 9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.428 -7.755 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.464 -7.944 7.243 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.603 -9.113 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.774 -11.318 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.709 -9.999 5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.239 -11.006 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.043 -11.115 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.568 -10.779 9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.933 -9.638 9.451 1.00 0.00 H new ATOM 420 N LEU A 25 -0.199 -9.471 7.089 1.00 0.00 N ATOM 421 CA LEU A 25 0.639 -10.354 6.289 1.00 0.00 C ATOM 422 C LEU A 25 1.887 -10.772 7.064 1.00 0.00 C ATOM 423 O LEU A 25 2.550 -11.743 6.704 1.00 0.00 O ATOM 424 CB LEU A 25 0.995 -9.682 4.948 1.00 0.00 C ATOM 425 CG LEU A 25 1.807 -10.523 3.949 1.00 0.00 C ATOM 426 CD1 LEU A 25 3.230 -10.757 4.437 1.00 0.00 C ATOM 427 CD2 LEU A 25 1.107 -11.848 3.687 1.00 0.00 C ATOM 0 H LEU A 25 -0.290 -8.521 6.728 1.00 0.00 H new ATOM 0 HA LEU A 25 0.080 -11.263 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.067 -9.379 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.556 -8.772 5.162 1.00 0.00 H new ATOM 0 HG LEU A 25 1.870 -9.964 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.772 -11.355 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.732 -9.798 4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.206 -11.285 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.692 -12.434 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.011 -12.400 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.116 -11.660 3.273 1.00 0.00 H new ATOM 439 N VAL A 26 2.207 -10.050 8.135 1.00 0.00 N ATOM 440 CA VAL A 26 3.383 -10.374 8.928 1.00 0.00 C ATOM 441 C VAL A 26 3.037 -10.952 10.294 1.00 0.00 C ATOM 442 O VAL A 26 3.818 -11.712 10.865 1.00 0.00 O ATOM 443 CB VAL A 26 4.278 -9.144 9.131 1.00 0.00 C ATOM 444 CG1 VAL A 26 5.537 -9.509 9.903 1.00 0.00 C ATOM 445 CG2 VAL A 26 4.628 -8.508 7.794 1.00 0.00 C ATOM 0 H VAL A 26 1.674 -9.247 8.468 1.00 0.00 H new ATOM 0 HA VAL A 26 3.916 -11.134 8.357 1.00 0.00 H new ATOM 0 HB VAL A 26 3.723 -8.414 9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.154 -8.620 10.034 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.262 -9.907 10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.098 -10.262 9.349 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.263 -7.638 7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.158 -9.231 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.714 -8.199 7.288 1.00 0.00 H new ATOM 455 N ARG A 27 1.885 -10.574 10.826 1.00 0.00 N ATOM 456 CA ARG A 27 1.471 -11.053 12.152 1.00 0.00 C ATOM 457 C ARG A 27 1.720 -12.555 12.301 1.00 0.00 C ATOM 458 O ARG A 27 2.343 -12.993 13.267 1.00 0.00 O ATOM 459 CB ARG A 27 0.000 -10.735 12.436 1.00 0.00 C ATOM 460 CG ARG A 27 -0.979 -11.420 11.497 1.00 0.00 C ATOM 461 CD ARG A 27 -2.437 -11.077 11.805 1.00 0.00 C ATOM 462 NE ARG A 27 -2.846 -11.470 13.155 1.00 0.00 N ATOM 463 CZ ARG A 27 -2.475 -10.837 14.268 1.00 0.00 C ATOM 464 NH1 ARG A 27 -1.869 -9.659 14.201 1.00 0.00 N ATOM 465 NH2 ARG A 27 -2.770 -11.354 15.453 1.00 0.00 N ATOM 0 H ARG A 27 1.222 -9.945 10.373 1.00 0.00 H new ATOM 0 HA ARG A 27 2.081 -10.523 12.884 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.232 -11.027 13.460 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.146 -9.657 12.371 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.752 -11.132 10.470 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.843 -12.499 11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.585 -10.004 11.685 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.082 -11.571 11.078 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.455 -12.282 13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.684 -9.232 13.294 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.588 -9.181 15.057 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.280 -12.235 15.512 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.487 -10.870 16.305 1.00 0.00 H new ATOM 479 N SER A 28 1.240 -13.334 11.336 1.00 0.00 N ATOM 480 CA SER A 28 1.418 -14.781 11.360 1.00 0.00 C ATOM 481 C SER A 28 1.039 -15.395 10.022 1.00 0.00 C ATOM 482 O SER A 28 1.900 -15.718 9.203 1.00 0.00 O ATOM 483 CB SER A 28 0.588 -15.409 12.487 1.00 0.00 C ATOM 484 OG SER A 28 0.995 -14.926 13.756 1.00 0.00 O ATOM 0 H SER A 28 0.725 -12.986 10.527 1.00 0.00 H new ATOM 0 HA SER A 28 2.472 -14.988 11.547 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.468 -15.186 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.692 -16.494 12.458 1.00 0.00 H new ATOM 0 HG SER A 28 1.846 -14.448 13.667 1.00 0.00 H new ATOM 490 N TYR A 29 -0.256 -15.542 9.817 1.00 0.00 N ATOM 491 CA TYR A 29 -0.808 -16.113 8.587 1.00 0.00 C ATOM 492 C TYR A 29 -2.284 -16.452 8.766 1.00 0.00 C ATOM 493 O TYR A 29 -2.743 -17.517 8.351 1.00 0.00 O ATOM 494 CB TYR A 29 -0.036 -17.370 8.161 1.00 0.00 C ATOM 495 CG TYR A 29 -0.017 -18.486 9.192 1.00 0.00 C ATOM 496 CD1 TYR A 29 -0.648 -18.354 10.427 1.00 0.00 C ATOM 497 CD2 TYR A 29 0.640 -19.681 8.921 1.00 0.00 C ATOM 498 CE1 TYR A 29 -0.622 -19.377 11.355 1.00 0.00 C ATOM 499 CE2 TYR A 29 0.669 -20.708 9.845 1.00 0.00 C ATOM 500 CZ TYR A 29 0.037 -20.551 11.059 1.00 0.00 C ATOM 501 OH TYR A 29 0.064 -21.572 11.982 1.00 0.00 O ATOM 0 H TYR A 29 -0.965 -15.270 10.498 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.706 -15.363 7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.474 -17.753 7.239 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.992 -17.088 7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.166 -17.436 10.663 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.137 -19.809 7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.116 -19.258 12.308 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.185 -21.629 9.617 1.00 0.00 H new ATOM 0 HH TYR A 29 0.568 -22.329 11.617 1.00 0.00 H new ATOM 511 N GLN A 30 -3.025 -15.542 9.391 1.00 0.00 N ATOM 512 CA GLN A 30 -4.451 -15.743 9.632 1.00 0.00 C ATOM 513 C GLN A 30 -5.185 -16.122 8.349 1.00 0.00 C ATOM 514 O GLN A 30 -4.579 -16.227 7.283 1.00 0.00 O ATOM 515 CB GLN A 30 -5.065 -14.482 10.249 1.00 0.00 C ATOM 516 CG GLN A 30 -4.865 -13.222 9.417 1.00 0.00 C ATOM 517 CD GLN A 30 -5.518 -13.301 8.050 1.00 0.00 C ATOM 518 OE1 GLN A 30 -6.734 -13.462 7.938 1.00 0.00 O ATOM 519 NE2 GLN A 30 -4.710 -13.194 7.002 1.00 0.00 N ATOM 0 H GLN A 30 -2.661 -14.656 9.741 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.561 -16.571 10.333 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.133 -14.644 10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.631 -14.325 11.236 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.272 -12.368 9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.797 -13.041 9.293 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.708 -13.061 7.142 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.091 -13.244 6.057 1.00 0.00 H new ATOM 528 N TYR A 31 -6.494 -16.324 8.459 1.00 0.00 N ATOM 529 CA TYR A 31 -7.312 -16.690 7.309 1.00 0.00 C ATOM 530 C TYR A 31 -8.791 -16.756 7.683 1.00 0.00 C ATOM 531 O TYR A 31 -9.581 -17.290 6.877 1.00 0.00 O ATOM 532 CB TYR A 31 -6.855 -18.035 6.733 1.00 0.00 C ATOM 533 CG TYR A 31 -6.923 -19.200 7.706 1.00 0.00 C ATOM 534 CD1 TYR A 31 -7.359 -19.035 9.019 1.00 0.00 C ATOM 535 CD2 TYR A 31 -6.542 -20.475 7.302 1.00 0.00 C ATOM 536 CE1 TYR A 31 -7.413 -20.105 9.893 1.00 0.00 C ATOM 537 CE2 TYR A 31 -6.594 -21.547 8.171 1.00 0.00 C ATOM 538 CZ TYR A 31 -7.029 -21.357 9.465 1.00 0.00 C ATOM 539 OH TYR A 31 -7.081 -22.423 10.333 1.00 0.00 O ATOM 540 OXT TYR A 31 -9.144 -16.272 8.779 1.00 0.00 O ATOM 0 H TYR A 31 -7.011 -16.240 9.334 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.186 -15.918 6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.469 -18.270 5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -5.829 -17.934 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.660 -18.055 9.360 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.199 -20.630 6.290 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.755 -19.960 10.907 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.295 -22.530 7.838 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.778 -23.234 9.874 1.00 0.00 H new TER 550 TYR A 31