USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=10 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 -139:sc= -0.295 (180deg=-0.78) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0586) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.183 F(o=-3.9!,f=-0.18) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.55 K(o=-1.6,f=-4.9!) USER MOD Single : A 13 THR OG1 : rot -156:sc= -0.285! USER MOD Single : A 18 THR OG1 : rot 48:sc= 1.12 USER MOD Single : A 22 MET CE :methyl -166:sc= -0.244 (180deg=-0.254) USER MOD Single : A 28 SER OG : rot 82:sc= 0.948 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.15! C(o=-2.1!,f=-2.7!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.301 15.261 -15.686 1.00 0.00 N ATOM 2 CA MET A 1 -0.050 16.051 -15.544 1.00 0.00 C ATOM 3 C MET A 1 1.147 15.125 -15.358 1.00 0.00 C ATOM 4 O MET A 1 2.205 15.335 -15.951 1.00 0.00 O ATOM 5 CB MET A 1 -0.214 16.995 -14.342 1.00 0.00 C ATOM 6 CG MET A 1 0.947 17.963 -14.123 1.00 0.00 C ATOM 7 SD MET A 1 2.495 17.151 -13.672 1.00 0.00 S ATOM 8 CE MET A 1 2.017 16.329 -12.155 1.00 0.00 C ATOM 0 H1 MET A 1 -2.090 15.899 -15.913 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.187 14.565 -16.450 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.502 14.765 -14.794 1.00 0.00 H new ATOM 0 HA MET A 1 0.132 16.636 -16.445 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.129 17.572 -14.474 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.342 16.394 -13.441 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.103 18.542 -15.034 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.676 18.670 -13.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.820 16.420 -11.423 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.112 16.791 -11.760 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.828 15.275 -12.357 1.00 0.00 H new ATOM 20 N GLY A 2 0.973 14.101 -14.530 1.00 0.00 N ATOM 21 CA GLY A 2 2.048 13.158 -14.281 1.00 0.00 C ATOM 22 C GLY A 2 1.849 11.845 -15.013 1.00 0.00 C ATOM 23 O GLY A 2 1.329 11.822 -16.129 1.00 0.00 O ATOM 0 H GLY A 2 0.107 13.907 -14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.995 13.602 -14.588 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.118 12.966 -13.210 1.00 0.00 H new ATOM 27 N ILE A 3 2.262 10.750 -14.384 1.00 0.00 N ATOM 28 CA ILE A 3 2.126 9.430 -14.983 1.00 0.00 C ATOM 29 C ILE A 3 0.762 8.812 -14.646 1.00 0.00 C ATOM 30 O ILE A 3 -0.254 9.218 -15.207 1.00 0.00 O ATOM 31 CB ILE A 3 3.304 8.510 -14.568 1.00 0.00 C ATOM 32 CG1 ILE A 3 3.146 7.107 -15.169 1.00 0.00 C ATOM 33 CG2 ILE A 3 3.451 8.453 -13.053 1.00 0.00 C ATOM 34 CD1 ILE A 3 4.270 6.163 -14.800 1.00 0.00 C ATOM 0 H ILE A 3 2.693 10.752 -13.460 1.00 0.00 H new ATOM 0 HA ILE A 3 2.169 9.537 -16.067 1.00 0.00 H new ATOM 0 HB ILE A 3 4.222 8.940 -14.970 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.200 6.681 -14.835 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.093 7.189 -16.255 1.00 0.00 H new ATOM 0 HG21 ILE A 3 4.285 7.801 -12.793 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.640 9.455 -12.668 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.533 8.062 -12.613 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.093 5.190 -15.259 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.217 6.567 -15.159 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.310 6.051 -13.716 1.00 0.00 H new ATOM 46 N ASN A 4 0.731 7.844 -13.740 1.00 0.00 N ATOM 47 CA ASN A 4 -0.524 7.199 -13.356 1.00 0.00 C ATOM 48 C ASN A 4 -0.841 7.410 -11.875 1.00 0.00 C ATOM 49 O ASN A 4 -1.782 6.821 -11.344 1.00 0.00 O ATOM 50 CB ASN A 4 -0.485 5.699 -13.683 1.00 0.00 C ATOM 51 CG ASN A 4 0.610 4.913 -12.962 1.00 0.00 C ATOM 52 OD1 ASN A 4 1.399 5.566 -12.109 1.00 0.00 O flip ATOM 53 ND2 ASN A 4 0.741 3.706 -13.171 1.00 0.00 N flip ATOM 0 H ASN A 4 1.555 7.487 -13.257 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.320 7.667 -13.936 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.451 5.262 -13.432 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.350 5.579 -14.758 1.00 0.00 H new ATOM 0 HD21 ASN A 4 0.123 3.232 -13.829 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.468 3.180 -12.686 1.00 0.00 H new ATOM 60 N THR A 5 -0.051 8.251 -11.211 1.00 0.00 N ATOM 61 CA THR A 5 -0.239 8.539 -9.808 1.00 0.00 C ATOM 62 C THR A 5 -1.428 9.473 -9.596 1.00 0.00 C ATOM 63 O THR A 5 -2.211 9.713 -10.515 1.00 0.00 O ATOM 64 CB THR A 5 1.035 9.172 -9.268 1.00 0.00 C ATOM 65 OG1 THR A 5 1.334 10.374 -9.959 1.00 0.00 O ATOM 66 CG2 THR A 5 2.246 8.267 -9.369 1.00 0.00 C ATOM 0 H THR A 5 0.733 8.746 -11.637 1.00 0.00 H new ATOM 0 HA THR A 5 -0.450 7.613 -9.274 1.00 0.00 H new ATOM 0 HB THR A 5 0.835 9.364 -8.214 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.156 10.765 -9.595 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.119 8.781 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.067 7.355 -8.800 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.424 8.013 -10.414 1.00 0.00 H new ATOM 74 N ARG A 6 -1.545 10.017 -8.388 1.00 0.00 N ATOM 75 CA ARG A 6 -2.621 10.944 -8.072 1.00 0.00 C ATOM 76 C ARG A 6 -2.493 11.518 -6.662 1.00 0.00 C ATOM 77 O ARG A 6 -3.222 11.157 -5.746 1.00 0.00 O ATOM 78 CB ARG A 6 -4.009 10.328 -8.349 1.00 0.00 C ATOM 79 CG ARG A 6 -4.296 8.970 -7.707 1.00 0.00 C ATOM 80 CD ARG A 6 -4.455 9.046 -6.197 1.00 0.00 C ATOM 81 NE ARG A 6 -5.495 9.991 -5.804 1.00 0.00 N ATOM 82 CZ ARG A 6 -6.784 9.849 -6.107 1.00 0.00 C ATOM 83 NH1 ARG A 6 -7.212 8.761 -6.735 1.00 0.00 N ATOM 84 NH2 ARG A 6 -7.653 10.789 -5.760 1.00 0.00 N ATOM 0 H ARG A 6 -0.907 9.830 -7.614 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.523 11.793 -8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.768 11.033 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.128 10.227 -9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.205 8.554 -8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.485 8.283 -7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.698 8.057 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.507 9.342 -5.747 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.218 10.811 -5.264 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.552 8.026 -6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.201 8.660 -6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.334 11.620 -5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.640 10.681 -5.992 1.00 0.00 H new ATOM 98 N GLU A 7 -1.545 12.439 -6.509 1.00 0.00 N ATOM 99 CA GLU A 7 -1.293 13.085 -5.225 1.00 0.00 C ATOM 100 C GLU A 7 -0.706 12.085 -4.241 1.00 0.00 C ATOM 101 O GLU A 7 -1.347 11.710 -3.258 1.00 0.00 O ATOM 102 CB GLU A 7 -2.576 13.704 -4.654 1.00 0.00 C ATOM 103 CG GLU A 7 -3.182 14.791 -5.529 1.00 0.00 C ATOM 104 CD GLU A 7 -3.600 14.286 -6.897 1.00 0.00 C ATOM 105 OE1 GLU A 7 -4.461 13.383 -6.958 1.00 0.00 O ATOM 106 OE2 GLU A 7 -3.067 14.793 -7.905 1.00 0.00 O ATOM 0 H GLU A 7 -0.936 12.756 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.575 13.889 -5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.314 12.915 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.359 14.122 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.050 15.215 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.459 15.597 -5.651 1.00 0.00 H new ATOM 113 N LEU A 8 0.518 11.646 -4.520 1.00 0.00 N ATOM 114 CA LEU A 8 1.197 10.678 -3.668 1.00 0.00 C ATOM 115 C LEU A 8 0.454 9.343 -3.768 1.00 0.00 C ATOM 116 O LEU A 8 0.214 8.656 -2.779 1.00 0.00 O ATOM 117 CB LEU A 8 1.244 11.215 -2.223 1.00 0.00 C ATOM 118 CG LEU A 8 2.226 10.533 -1.255 1.00 0.00 C ATOM 119 CD1 LEU A 8 2.269 11.292 0.061 1.00 0.00 C ATOM 120 CD2 LEU A 8 1.845 9.089 -0.993 1.00 0.00 C ATOM 0 H LEU A 8 1.059 11.946 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 8 2.227 10.521 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.491 12.276 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.242 11.137 -1.800 1.00 0.00 H new ATOM 0 HG LEU A 8 3.210 10.544 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.967 10.803 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.597 12.316 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.275 11.303 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.563 8.642 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.848 9.050 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.850 8.535 -1.932 1.00 0.00 H new ATOM 132 N PHE A 9 0.068 8.994 -4.995 1.00 0.00 N ATOM 133 CA PHE A 9 -0.667 7.761 -5.246 1.00 0.00 C ATOM 134 C PHE A 9 0.252 6.546 -5.220 1.00 0.00 C ATOM 135 O PHE A 9 -0.203 5.415 -5.046 1.00 0.00 O ATOM 136 CB PHE A 9 -1.393 7.825 -6.596 1.00 0.00 C ATOM 137 CG PHE A 9 -2.211 6.592 -6.878 1.00 0.00 C ATOM 138 CD1 PHE A 9 -3.223 6.207 -6.014 1.00 0.00 C ATOM 139 CD2 PHE A 9 -1.968 5.818 -8.003 1.00 0.00 C ATOM 140 CE1 PHE A 9 -3.979 5.077 -6.266 1.00 0.00 C ATOM 141 CE2 PHE A 9 -2.720 4.687 -8.260 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.726 4.317 -7.389 1.00 0.00 C ATOM 0 H PHE A 9 0.254 9.550 -5.829 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.401 7.656 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.044 8.699 -6.612 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.660 7.959 -7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.424 6.797 -5.132 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.182 6.102 -8.687 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.766 4.790 -5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.521 4.094 -9.140 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.314 3.433 -7.587 1.00 0.00 H new ATOM 152 N LEU A 10 1.540 6.785 -5.401 1.00 0.00 N ATOM 153 CA LEU A 10 2.523 5.725 -5.408 1.00 0.00 C ATOM 154 C LEU A 10 2.879 5.310 -3.984 1.00 0.00 C ATOM 155 O LEU A 10 2.686 4.156 -3.598 1.00 0.00 O ATOM 156 CB LEU A 10 3.753 6.209 -6.180 1.00 0.00 C ATOM 157 CG LEU A 10 4.929 5.241 -6.264 1.00 0.00 C ATOM 158 CD1 LEU A 10 6.001 5.816 -7.174 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.497 4.986 -4.881 1.00 0.00 C ATOM 0 H LEU A 10 1.928 7.717 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 10 2.117 4.842 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.443 6.457 -7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.104 7.132 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 10 4.582 4.294 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.840 5.122 -7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.588 5.970 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.346 6.769 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.336 4.294 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.839 5.926 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.725 4.554 -4.244 1.00 0.00 H new ATOM 171 N ASN A 11 3.396 6.252 -3.207 1.00 0.00 N ATOM 172 CA ASN A 11 3.775 5.971 -1.829 1.00 0.00 C ATOM 173 C ASN A 11 2.548 5.632 -0.984 1.00 0.00 C ATOM 174 O ASN A 11 2.655 4.933 0.021 1.00 0.00 O ATOM 175 CB ASN A 11 4.534 7.158 -1.230 1.00 0.00 C ATOM 176 CG ASN A 11 4.927 6.930 0.216 1.00 0.00 C ATOM 177 OD1 ASN A 11 4.073 6.734 1.079 1.00 0.00 O ATOM 178 ND2 ASN A 11 6.228 6.954 0.487 1.00 0.00 N ATOM 0 H ASN A 11 3.562 7.213 -3.505 1.00 0.00 H new ATOM 0 HA ASN A 11 4.435 5.103 -1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.430 7.346 -1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.914 8.052 -1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.553 6.806 1.443 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.902 7.120 -0.261 1.00 0.00 H new ATOM 185 N PHE A 12 1.381 6.124 -1.396 1.00 0.00 N ATOM 186 CA PHE A 12 0.148 5.852 -0.664 1.00 0.00 C ATOM 187 C PHE A 12 -0.335 4.428 -0.934 1.00 0.00 C ATOM 188 O PHE A 12 -0.370 3.593 -0.033 1.00 0.00 O ATOM 189 CB PHE A 12 -0.943 6.852 -1.066 1.00 0.00 C ATOM 190 CG PHE A 12 -2.245 6.704 -0.312 1.00 0.00 C ATOM 191 CD1 PHE A 12 -2.381 5.790 0.726 1.00 0.00 C ATOM 192 CD2 PHE A 12 -3.332 7.497 -0.644 1.00 0.00 C ATOM 193 CE1 PHE A 12 -3.576 5.671 1.411 1.00 0.00 C ATOM 194 CE2 PHE A 12 -4.528 7.381 0.040 1.00 0.00 C ATOM 195 CZ PHE A 12 -4.650 6.466 1.066 1.00 0.00 C ATOM 0 H PHE A 12 1.265 6.707 -2.225 1.00 0.00 H new ATOM 0 HA PHE A 12 0.355 5.958 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.564 7.863 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.142 6.743 -2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.544 5.166 1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.244 8.214 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.669 4.956 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.367 8.006 -0.229 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.585 6.372 1.598 1.00 0.00 H new ATOM 205 N THR A 13 -0.721 4.168 -2.178 1.00 0.00 N ATOM 206 CA THR A 13 -1.225 2.857 -2.579 1.00 0.00 C ATOM 207 C THR A 13 -0.329 1.713 -2.099 1.00 0.00 C ATOM 208 O THR A 13 -0.817 0.627 -1.797 1.00 0.00 O ATOM 209 CB THR A 13 -1.369 2.796 -4.101 1.00 0.00 C ATOM 210 OG1 THR A 13 -2.259 3.797 -4.560 1.00 0.00 O ATOM 211 CG2 THR A 13 -1.882 1.463 -4.605 1.00 0.00 C ATOM 0 H THR A 13 -0.694 4.853 -2.933 1.00 0.00 H new ATOM 0 HA THR A 13 -2.199 2.729 -2.106 1.00 0.00 H new ATOM 0 HB THR A 13 -0.363 2.950 -4.490 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.636 3.528 -5.424 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.960 1.490 -5.692 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.192 0.673 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.864 1.265 -4.176 1.00 0.00 H new ATOM 219 N ILE A 14 0.976 1.956 -2.029 1.00 0.00 N ATOM 220 CA ILE A 14 1.918 0.928 -1.590 1.00 0.00 C ATOM 221 C ILE A 14 1.926 0.814 -0.082 1.00 0.00 C ATOM 222 O ILE A 14 1.542 -0.207 0.486 1.00 0.00 O ATOM 223 CB ILE A 14 3.339 1.210 -2.097 1.00 0.00 C ATOM 224 CG1 ILE A 14 3.362 1.235 -3.627 1.00 0.00 C ATOM 225 CG2 ILE A 14 4.320 0.173 -1.565 1.00 0.00 C ATOM 226 CD1 ILE A 14 2.934 -0.072 -4.258 1.00 0.00 C ATOM 0 H ILE A 14 1.405 2.850 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 14 1.584 -0.018 -2.017 1.00 0.00 H new ATOM 0 HB ILE A 14 3.647 2.188 -1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.707 2.031 -3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.370 1.479 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.320 0.394 -1.938 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.324 0.202 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.018 -0.819 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.974 0.018 -5.344 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.604 -0.869 -3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.915 -0.308 -3.951 1.00 0.00 H new ATOM 238 N VAL A 15 2.341 1.882 0.554 1.00 0.00 N ATOM 239 CA VAL A 15 2.375 1.938 2.006 1.00 0.00 C ATOM 240 C VAL A 15 1.006 1.586 2.572 1.00 0.00 C ATOM 241 O VAL A 15 0.887 1.104 3.697 1.00 0.00 O ATOM 242 CB VAL A 15 2.768 3.341 2.496 1.00 0.00 C ATOM 243 CG1 VAL A 15 2.766 3.406 4.016 1.00 0.00 C ATOM 244 CG2 VAL A 15 4.128 3.739 1.943 1.00 0.00 C ATOM 0 H VAL A 15 2.663 2.732 0.091 1.00 0.00 H new ATOM 0 HA VAL A 15 3.119 1.220 2.350 1.00 0.00 H new ATOM 0 HB VAL A 15 2.026 4.049 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.047 4.409 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.769 3.172 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.480 2.684 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.389 4.735 2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.880 3.025 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.091 3.743 0.854 1.00 0.00 H new ATOM 254 N LEU A 16 -0.024 1.831 1.768 1.00 0.00 N ATOM 255 CA LEU A 16 -1.397 1.546 2.165 1.00 0.00 C ATOM 256 C LEU A 16 -1.598 0.045 2.286 1.00 0.00 C ATOM 257 O LEU A 16 -1.861 -0.469 3.377 1.00 0.00 O ATOM 258 CB LEU A 16 -2.385 2.150 1.157 1.00 0.00 C ATOM 259 CG LEU A 16 -3.874 1.977 1.485 1.00 0.00 C ATOM 260 CD1 LEU A 16 -4.728 2.700 0.457 1.00 0.00 C ATOM 261 CD2 LEU A 16 -4.259 0.504 1.537 1.00 0.00 C ATOM 0 H LEU A 16 0.068 2.228 0.833 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.587 2.002 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.175 3.216 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.195 1.704 0.181 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.053 2.412 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.782 2.569 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.484 3.762 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.532 2.288 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.320 0.413 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.060 0.042 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.673 0.002 2.307 1.00 0.00 H new ATOM 273 N ILE A 17 -1.429 -0.668 1.176 1.00 0.00 N ATOM 274 CA ILE A 17 -1.553 -2.104 1.198 1.00 0.00 C ATOM 275 C ILE A 17 -0.486 -2.684 2.110 1.00 0.00 C ATOM 276 O ILE A 17 -0.626 -3.789 2.636 1.00 0.00 O ATOM 277 CB ILE A 17 -1.514 -2.710 -0.240 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.177 -4.198 -0.213 1.00 0.00 C ATOM 279 CG2 ILE A 17 -0.526 -1.972 -1.136 1.00 0.00 C ATOM 280 CD1 ILE A 17 0.265 -4.439 0.164 1.00 0.00 C ATOM 0 H ILE A 17 -1.208 -0.270 0.263 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.529 -2.375 1.601 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.514 -2.588 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.828 -4.705 0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.374 -4.633 -1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.528 -2.423 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.817 -0.924 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.474 -2.040 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.465 -5.511 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.917 -3.954 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.456 -4.027 1.155 1.00 0.00 H new ATOM 292 N THR A 18 0.566 -1.904 2.325 1.00 0.00 N ATOM 293 CA THR A 18 1.645 -2.318 3.205 1.00 0.00 C ATOM 294 C THR A 18 1.176 -2.277 4.654 1.00 0.00 C ATOM 295 O THR A 18 1.451 -3.190 5.430 1.00 0.00 O ATOM 296 CB THR A 18 2.866 -1.416 3.020 1.00 0.00 C ATOM 297 OG1 THR A 18 3.327 -1.462 1.681 1.00 0.00 O ATOM 298 CG2 THR A 18 4.028 -1.788 3.916 1.00 0.00 C ATOM 0 H THR A 18 0.693 -0.984 1.902 1.00 0.00 H new ATOM 0 HA THR A 18 1.931 -3.339 2.951 1.00 0.00 H new ATOM 0 HB THR A 18 2.526 -0.415 3.288 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.568 -1.354 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.860 -1.108 3.733 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.721 -1.714 4.959 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.340 -2.810 3.701 1.00 0.00 H new ATOM 306 N VAL A 19 0.448 -1.217 5.010 1.00 0.00 N ATOM 307 CA VAL A 19 -0.072 -1.073 6.366 1.00 0.00 C ATOM 308 C VAL A 19 -0.909 -2.287 6.747 1.00 0.00 C ATOM 309 O VAL A 19 -0.703 -2.891 7.803 1.00 0.00 O ATOM 310 CB VAL A 19 -0.929 0.202 6.519 1.00 0.00 C ATOM 311 CG1 VAL A 19 -1.473 0.318 7.937 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.122 1.440 6.152 1.00 0.00 C ATOM 0 H VAL A 19 0.208 -0.451 4.381 1.00 0.00 H new ATOM 0 HA VAL A 19 0.787 -0.993 7.032 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.773 0.129 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.074 1.223 8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.092 -0.551 8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.643 0.365 8.642 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.745 2.327 6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.745 1.517 6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.213 1.363 5.117 1.00 0.00 H new ATOM 322 N ILE A 20 -1.846 -2.654 5.875 1.00 0.00 N ATOM 323 CA ILE A 20 -2.695 -3.811 6.130 1.00 0.00 C ATOM 324 C ILE A 20 -1.850 -5.069 6.300 1.00 0.00 C ATOM 325 O ILE A 20 -1.669 -5.561 7.419 1.00 0.00 O ATOM 326 CB ILE A 20 -3.743 -4.032 5.023 1.00 0.00 C ATOM 327 CG1 ILE A 20 -4.775 -2.897 5.002 1.00 0.00 C ATOM 328 CG2 ILE A 20 -4.443 -5.374 5.194 1.00 0.00 C ATOM 329 CD1 ILE A 20 -4.197 -1.536 4.689 1.00 0.00 C ATOM 0 H ILE A 20 -2.034 -2.172 4.996 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.234 -3.605 7.055 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.216 -4.035 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.541 -3.132 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.270 -2.854 5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.178 -5.505 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.708 -6.177 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.945 -5.402 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.994 -0.792 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.452 -1.275 5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.727 -1.558 3.706 1.00 0.00 H new ATOM 341 N LEU A 21 -1.316 -5.586 5.195 1.00 0.00 N ATOM 342 CA LEU A 21 -0.487 -6.782 5.259 1.00 0.00 C ATOM 343 C LEU A 21 0.495 -6.733 6.412 1.00 0.00 C ATOM 344 O LEU A 21 0.618 -7.699 7.155 1.00 0.00 O ATOM 345 CB LEU A 21 0.246 -7.033 3.962 1.00 0.00 C ATOM 346 CG LEU A 21 -0.622 -7.648 2.879 1.00 0.00 C ATOM 347 CD1 LEU A 21 -1.269 -8.934 3.373 1.00 0.00 C ATOM 348 CD2 LEU A 21 -1.674 -6.669 2.385 1.00 0.00 C ATOM 0 H LEU A 21 -1.441 -5.201 4.259 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.170 -7.614 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.653 -6.090 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.092 -7.692 4.155 1.00 0.00 H new ATOM 0 HG LEU A 21 0.024 -7.890 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.887 -9.358 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.494 -9.648 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.891 -8.718 4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.277 -7.143 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.316 -6.375 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.185 -5.786 1.974 1.00 0.00 H new ATOM 360 N MET A 22 1.189 -5.609 6.571 1.00 0.00 N ATOM 361 CA MET A 22 2.154 -5.459 7.660 1.00 0.00 C ATOM 362 C MET A 22 1.590 -6.026 8.956 1.00 0.00 C ATOM 363 O MET A 22 2.205 -6.882 9.586 1.00 0.00 O ATOM 364 CB MET A 22 2.521 -3.984 7.846 1.00 0.00 C ATOM 365 CG MET A 22 3.530 -3.737 8.956 1.00 0.00 C ATOM 366 SD MET A 22 5.117 -4.532 8.643 1.00 0.00 S ATOM 367 CE MET A 22 6.032 -4.050 10.105 1.00 0.00 C ATOM 0 H MET A 22 1.103 -4.793 5.965 1.00 0.00 H new ATOM 0 HA MET A 22 3.055 -6.015 7.400 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.924 -3.599 6.909 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.614 -3.418 8.060 1.00 0.00 H new ATOM 0 HG2 MET A 22 3.682 -2.664 9.071 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.124 -4.104 9.899 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.093 -4.247 9.952 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.884 -2.987 10.293 1.00 0.00 H new ATOM 0 HE3 MET A 22 5.677 -4.623 10.962 1.00 0.00 H new ATOM 377 N TRP A 23 0.402 -5.571 9.334 1.00 0.00 N ATOM 378 CA TRP A 23 -0.240 -6.064 10.540 1.00 0.00 C ATOM 379 C TRP A 23 -0.582 -7.537 10.378 1.00 0.00 C ATOM 380 O TRP A 23 -0.809 -8.247 11.356 1.00 0.00 O ATOM 381 CB TRP A 23 -1.501 -5.257 10.849 1.00 0.00 C ATOM 382 CG TRP A 23 -2.204 -5.707 12.093 1.00 0.00 C ATOM 383 CD1 TRP A 23 -1.698 -5.723 13.361 1.00 0.00 C ATOM 384 CD2 TRP A 23 -3.540 -6.209 12.187 1.00 0.00 C ATOM 385 NE1 TRP A 23 -2.640 -6.204 14.238 1.00 0.00 N ATOM 386 CE2 TRP A 23 -3.780 -6.509 13.541 1.00 0.00 C ATOM 387 CE3 TRP A 23 -4.560 -6.433 11.257 1.00 0.00 C ATOM 388 CZ2 TRP A 23 -4.996 -7.021 13.986 1.00 0.00 C ATOM 389 CZ3 TRP A 23 -5.766 -6.941 11.700 1.00 0.00 C ATOM 390 CH2 TRP A 23 -5.976 -7.230 13.055 1.00 0.00 C ATOM 0 H TRP A 23 -0.131 -4.866 8.825 1.00 0.00 H new ATOM 0 HA TRP A 23 0.451 -5.949 11.375 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.234 -4.205 10.951 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.187 -5.331 10.005 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.703 -5.404 13.635 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.512 -6.316 15.244 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.408 -6.213 10.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.160 -7.245 15.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.560 -7.118 10.990 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -6.930 -7.625 13.370 1.00 0.00 H new ATOM 401 N LEU A 24 -0.622 -7.982 9.128 1.00 0.00 N ATOM 402 CA LEU A 24 -0.943 -9.367 8.821 1.00 0.00 C ATOM 403 C LEU A 24 0.293 -10.263 8.653 1.00 0.00 C ATOM 404 O LEU A 24 0.532 -11.128 9.495 1.00 0.00 O ATOM 405 CB LEU A 24 -1.841 -9.481 7.582 1.00 0.00 C ATOM 406 CG LEU A 24 -3.292 -9.008 7.756 1.00 0.00 C ATOM 407 CD1 LEU A 24 -3.367 -7.525 8.084 1.00 0.00 C ATOM 408 CD2 LEU A 24 -4.099 -9.314 6.504 1.00 0.00 C ATOM 0 H LEU A 24 -0.436 -7.401 8.310 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.487 -9.731 9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.387 -8.907 6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.855 -10.523 7.263 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.718 -9.553 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.410 -7.230 8.199 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.830 -7.330 9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.915 -6.950 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.125 -8.974 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.657 -8.799 5.651 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.094 -10.389 6.322 1.00 0.00 H new ATOM 420 N LEU A 25 1.064 -10.112 7.561 1.00 0.00 N ATOM 421 CA LEU A 25 2.219 -10.997 7.363 1.00 0.00 C ATOM 422 C LEU A 25 3.126 -10.990 8.580 1.00 0.00 C ATOM 423 O LEU A 25 3.712 -12.011 8.936 1.00 0.00 O ATOM 424 CB LEU A 25 3.039 -10.671 6.102 1.00 0.00 C ATOM 425 CG LEU A 25 3.890 -9.399 6.147 1.00 0.00 C ATOM 426 CD1 LEU A 25 4.756 -9.301 4.901 1.00 0.00 C ATOM 427 CD2 LEU A 25 3.017 -8.172 6.260 1.00 0.00 C ATOM 0 H LEU A 25 0.916 -9.415 6.831 1.00 0.00 H new ATOM 0 HA LEU A 25 1.801 -11.993 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.698 -11.515 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.352 -10.591 5.260 1.00 0.00 H new ATOM 0 HG LEU A 25 4.531 -9.451 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.356 -8.392 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.414 -10.168 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.119 -9.272 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.644 -7.281 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.352 -8.118 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.424 -8.230 7.173 1.00 0.00 H new ATOM 439 N VAL A 26 3.231 -9.840 9.216 1.00 0.00 N ATOM 440 CA VAL A 26 4.063 -9.707 10.401 1.00 0.00 C ATOM 441 C VAL A 26 3.426 -10.383 11.606 1.00 0.00 C ATOM 442 O VAL A 26 4.117 -10.851 12.511 1.00 0.00 O ATOM 443 CB VAL A 26 4.330 -8.232 10.734 1.00 0.00 C ATOM 444 CG1 VAL A 26 5.177 -8.102 11.992 1.00 0.00 C ATOM 445 CG2 VAL A 26 5.004 -7.537 9.561 1.00 0.00 C ATOM 0 H VAL A 26 2.753 -8.984 8.935 1.00 0.00 H new ATOM 0 HA VAL A 26 5.009 -10.199 10.176 1.00 0.00 H new ATOM 0 HB VAL A 26 3.372 -7.747 10.921 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.352 -7.048 12.206 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.654 -8.561 12.831 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.132 -8.605 11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.186 -6.492 9.813 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.952 -8.029 9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.357 -7.591 8.685 1.00 0.00 H new ATOM 455 N ARG A 27 2.105 -10.421 11.607 1.00 0.00 N ATOM 456 CA ARG A 27 1.345 -11.032 12.700 1.00 0.00 C ATOM 457 C ARG A 27 1.954 -12.365 13.131 1.00 0.00 C ATOM 458 O ARG A 27 2.435 -12.504 14.256 1.00 0.00 O ATOM 459 CB ARG A 27 -0.113 -11.245 12.284 1.00 0.00 C ATOM 460 CG ARG A 27 -0.975 -11.854 13.379 1.00 0.00 C ATOM 461 CD ARG A 27 -2.412 -12.043 12.914 1.00 0.00 C ATOM 462 NE ARG A 27 -2.506 -12.937 11.762 1.00 0.00 N ATOM 463 CZ ARG A 27 -2.156 -14.222 11.784 1.00 0.00 C ATOM 464 NH1 ARG A 27 -1.759 -14.791 12.916 1.00 0.00 N ATOM 465 NH2 ARG A 27 -2.226 -14.947 10.676 1.00 0.00 N ATOM 0 H ARG A 27 1.527 -10.035 10.861 1.00 0.00 H new ATOM 0 HA ARG A 27 1.385 -10.347 13.547 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.541 -10.288 11.986 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.141 -11.893 11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.559 -12.816 13.679 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.957 -11.210 14.258 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.007 -12.445 13.734 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.839 -11.074 12.656 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.862 -12.553 10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.721 -14.244 13.776 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.492 -15.775 12.926 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.548 -14.521 9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.958 -15.931 10.693 1.00 0.00 H new ATOM 479 N SER A 28 1.924 -13.344 12.233 1.00 0.00 N ATOM 480 CA SER A 28 2.465 -14.668 12.526 1.00 0.00 C ATOM 481 C SER A 28 3.964 -14.745 12.235 1.00 0.00 C ATOM 482 O SER A 28 4.593 -15.776 12.473 1.00 0.00 O ATOM 483 CB SER A 28 1.723 -15.732 11.716 1.00 0.00 C ATOM 484 OG SER A 28 1.846 -15.493 10.324 1.00 0.00 O ATOM 0 H SER A 28 1.531 -13.247 11.297 1.00 0.00 H new ATOM 0 HA SER A 28 2.321 -14.854 13.590 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.121 -16.718 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.669 -15.737 11.995 1.00 0.00 H new ATOM 0 HG SER A 28 2.702 -15.849 10.005 1.00 0.00 H new ATOM 490 N TYR A 29 4.536 -13.658 11.724 1.00 0.00 N ATOM 491 CA TYR A 29 5.961 -13.624 11.412 1.00 0.00 C ATOM 492 C TYR A 29 6.662 -12.512 12.185 1.00 0.00 C ATOM 493 O TYR A 29 7.610 -11.902 11.690 1.00 0.00 O ATOM 494 CB TYR A 29 6.181 -13.426 9.910 1.00 0.00 C ATOM 495 CG TYR A 29 5.575 -14.514 9.050 1.00 0.00 C ATOM 496 CD1 TYR A 29 4.206 -14.749 9.052 1.00 0.00 C ATOM 497 CD2 TYR A 29 6.376 -15.307 8.238 1.00 0.00 C ATOM 498 CE1 TYR A 29 3.652 -15.744 8.267 1.00 0.00 C ATOM 499 CE2 TYR A 29 5.830 -16.303 7.450 1.00 0.00 C ATOM 500 CZ TYR A 29 4.469 -16.516 7.468 1.00 0.00 C ATOM 501 OH TYR A 29 3.921 -17.507 6.685 1.00 0.00 O ATOM 0 H TYR A 29 4.037 -12.793 11.518 1.00 0.00 H new ATOM 0 HA TYR A 29 6.389 -14.581 11.710 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.758 -12.466 9.615 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.252 -13.376 9.714 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.564 -14.145 9.676 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.443 -15.143 8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.586 -15.915 8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.467 -16.911 6.824 1.00 0.00 H new ATOM 0 HH TYR A 29 4.632 -17.957 6.182 1.00 0.00 H new ATOM 511 N GLN A 30 6.187 -12.250 13.401 1.00 0.00 N ATOM 512 CA GLN A 30 6.766 -11.204 14.244 1.00 0.00 C ATOM 513 C GLN A 30 8.292 -11.285 14.255 1.00 0.00 C ATOM 514 O GLN A 30 8.867 -12.327 14.572 1.00 0.00 O ATOM 515 CB GLN A 30 6.237 -11.310 15.680 1.00 0.00 C ATOM 516 CG GLN A 30 6.642 -12.588 16.404 1.00 0.00 C ATOM 517 CD GLN A 30 6.139 -13.845 15.721 1.00 0.00 C ATOM 518 OE1 GLN A 30 4.934 -14.036 15.556 1.00 0.00 O ATOM 519 NE2 GLN A 30 7.063 -14.711 15.322 1.00 0.00 N ATOM 0 H GLN A 30 5.403 -12.747 13.825 1.00 0.00 H new ATOM 0 HA GLN A 30 6.470 -10.243 13.823 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.595 -10.454 16.251 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.149 -11.247 15.660 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.729 -12.630 16.474 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.258 -12.558 17.424 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.051 -14.512 15.480 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.785 -15.576 14.858 1.00 0.00 H new ATOM 528 N TYR A 31 8.941 -10.179 13.904 1.00 0.00 N ATOM 529 CA TYR A 31 10.399 -10.126 13.872 1.00 0.00 C ATOM 530 C TYR A 31 10.901 -8.719 14.178 1.00 0.00 C ATOM 531 O TYR A 31 10.126 -7.760 13.981 1.00 0.00 O ATOM 532 CB TYR A 31 10.920 -10.596 12.510 1.00 0.00 C ATOM 533 CG TYR A 31 10.407 -9.786 11.337 1.00 0.00 C ATOM 534 CD1 TYR A 31 10.700 -8.431 11.211 1.00 0.00 C ATOM 535 CD2 TYR A 31 9.625 -10.379 10.354 1.00 0.00 C ATOM 536 CE1 TYR A 31 10.227 -7.696 10.141 1.00 0.00 C ATOM 537 CE2 TYR A 31 9.150 -9.650 9.281 1.00 0.00 C ATOM 538 CZ TYR A 31 9.454 -8.310 9.179 1.00 0.00 C ATOM 539 OH TYR A 31 8.982 -7.580 8.112 1.00 0.00 O ATOM 540 OXT TYR A 31 12.065 -8.589 14.610 1.00 0.00 O ATOM 0 H TYR A 31 8.481 -9.308 13.638 1.00 0.00 H new ATOM 0 HA TYR A 31 10.780 -10.796 14.642 1.00 0.00 H new ATOM 0 HB2 TYR A 31 12.009 -10.556 12.516 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.640 -11.640 12.367 1.00 0.00 H new ATOM 0 HD1 TYR A 31 11.307 -7.947 11.962 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.384 -11.429 10.430 1.00 0.00 H new ATOM 0 HE1 TYR A 31 10.462 -6.645 10.059 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.543 -10.128 8.526 1.00 0.00 H new ATOM 0 HH TYR A 31 8.455 -8.162 7.525 1.00 0.00 H new TER 550 TYR A 31