USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=7 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 -131:sc= -8.58! (180deg=-17.7!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.37 X(o=-1.4,f=-1!) USER MOD Single : A 5 THR OG1 : rot -30:sc= -1.27 USER MOD Single : A 11 ASN : amide:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Single : A 13 THR OG1 : rot 116:sc= 1.09 USER MOD Single : A 18 THR OG1 : rot 140:sc= -8.63! USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 9:sc= 1.22 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -3.8! C(o=-3.8!,f=-5.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.021 1.144 -11.180 1.00 0.00 N ATOM 2 CA MET A 1 -2.231 2.402 -11.187 1.00 0.00 C ATOM 3 C MET A 1 -2.894 3.428 -10.265 1.00 0.00 C ATOM 4 O MET A 1 -2.496 3.581 -9.111 1.00 0.00 O ATOM 5 CB MET A 1 -2.165 2.908 -12.638 1.00 0.00 C ATOM 6 CG MET A 1 -1.140 4.010 -12.930 1.00 0.00 C ATOM 7 SD MET A 1 -1.319 5.511 -11.938 1.00 0.00 S ATOM 8 CE MET A 1 -0.596 5.008 -10.379 1.00 0.00 C ATOM 0 H1 MET A 1 -2.570 0.447 -11.807 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.061 0.765 -10.212 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.986 1.338 -11.516 1.00 0.00 H new ATOM 0 HA MET A 1 -1.219 2.235 -10.818 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.948 2.059 -13.286 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.152 3.277 -12.916 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.140 3.606 -12.771 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.211 4.280 -13.984 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.269 5.273 -9.564 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.437 3.930 -10.383 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.359 5.515 -10.241 1.00 0.00 H new ATOM 20 N GLY A 2 -3.915 4.117 -10.771 1.00 0.00 N ATOM 21 CA GLY A 2 -4.611 5.106 -9.967 1.00 0.00 C ATOM 22 C GLY A 2 -5.328 6.140 -10.812 1.00 0.00 C ATOM 23 O GLY A 2 -4.863 6.496 -11.894 1.00 0.00 O ATOM 0 H GLY A 2 -4.271 4.008 -11.721 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.333 4.604 -9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.896 5.607 -9.314 1.00 0.00 H new ATOM 27 N ILE A 3 -6.465 6.621 -10.319 1.00 0.00 N ATOM 28 CA ILE A 3 -7.246 7.620 -11.038 1.00 0.00 C ATOM 29 C ILE A 3 -6.428 8.882 -11.303 1.00 0.00 C ATOM 30 O ILE A 3 -5.237 8.935 -10.996 1.00 0.00 O ATOM 31 CB ILE A 3 -8.544 7.976 -10.276 1.00 0.00 C ATOM 32 CG1 ILE A 3 -8.238 8.457 -8.853 1.00 0.00 C ATOM 33 CG2 ILE A 3 -9.478 6.776 -10.240 1.00 0.00 C ATOM 34 CD1 ILE A 3 -7.431 9.735 -8.792 1.00 0.00 C ATOM 0 H ILE A 3 -6.865 6.335 -9.425 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.520 7.182 -11.997 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.035 8.791 -10.807 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.178 8.608 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.696 7.673 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.388 7.039 -9.701 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.732 6.482 -11.258 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.984 5.946 -9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.258 10.007 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.474 9.585 -9.292 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.979 10.535 -9.289 1.00 0.00 H new ATOM 46 N ASN A 4 -7.070 9.891 -11.885 1.00 0.00 N ATOM 47 CA ASN A 4 -6.395 11.146 -12.202 1.00 0.00 C ATOM 48 C ASN A 4 -6.235 12.025 -10.963 1.00 0.00 C ATOM 49 O ASN A 4 -7.002 12.966 -10.757 1.00 0.00 O ATOM 50 CB ASN A 4 -7.171 11.903 -13.283 1.00 0.00 C ATOM 51 CG ASN A 4 -6.504 13.207 -13.674 1.00 0.00 C ATOM 52 OD1 ASN A 4 -6.314 14.096 -12.842 1.00 0.00 O ATOM 53 ND2 ASN A 4 -6.143 13.331 -14.946 1.00 0.00 N ATOM 0 H ASN A 4 -8.056 9.864 -12.146 1.00 0.00 H new ATOM 0 HA ASN A 4 -5.399 10.904 -12.573 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.269 11.270 -14.165 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.180 12.108 -12.925 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.690 14.187 -15.266 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.319 12.570 -15.603 1.00 0.00 H new ATOM 60 N THR A 5 -5.227 11.720 -10.151 1.00 0.00 N ATOM 61 CA THR A 5 -4.956 12.493 -8.941 1.00 0.00 C ATOM 62 C THR A 5 -3.585 12.131 -8.383 1.00 0.00 C ATOM 63 O THR A 5 -2.968 11.154 -8.807 1.00 0.00 O ATOM 64 CB THR A 5 -6.022 12.230 -7.877 1.00 0.00 C ATOM 65 OG1 THR A 5 -7.321 12.448 -8.397 1.00 0.00 O ATOM 66 CG2 THR A 5 -5.880 13.110 -6.654 1.00 0.00 C ATOM 0 H THR A 5 -4.584 10.944 -10.308 1.00 0.00 H new ATOM 0 HA THR A 5 -4.975 13.550 -9.205 1.00 0.00 H new ATOM 0 HB THR A 5 -5.877 11.190 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.284 13.138 -9.092 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.668 12.871 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.908 12.938 -6.193 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.962 14.157 -6.947 1.00 0.00 H new ATOM 74 N ARG A 6 -3.118 12.920 -7.424 1.00 0.00 N ATOM 75 CA ARG A 6 -1.822 12.678 -6.800 1.00 0.00 C ATOM 76 C ARG A 6 -2.004 12.196 -5.358 1.00 0.00 C ATOM 77 O ARG A 6 -2.137 10.998 -5.114 1.00 0.00 O ATOM 78 CB ARG A 6 -0.942 13.938 -6.836 1.00 0.00 C ATOM 79 CG ARG A 6 -0.551 14.409 -8.233 1.00 0.00 C ATOM 80 CD ARG A 6 -1.757 14.840 -9.058 1.00 0.00 C ATOM 81 NE ARG A 6 -1.368 15.362 -10.368 1.00 0.00 N ATOM 82 CZ ARG A 6 -0.753 14.643 -11.305 1.00 0.00 C ATOM 83 NH1 ARG A 6 -0.522 13.349 -11.117 1.00 0.00 N ATOM 84 NH2 ARG A 6 -0.389 15.215 -12.445 1.00 0.00 N ATOM 0 H ARG A 6 -3.616 13.733 -7.061 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.317 11.898 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.470 14.747 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.033 13.745 -6.266 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.146 15.243 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.028 13.606 -8.751 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.427 13.991 -9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.314 15.603 -8.514 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.581 16.337 -10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.816 12.899 -10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.050 12.805 -11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.580 16.204 -12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.082 14.666 -13.164 1.00 0.00 H new ATOM 98 N GLU A 7 -2.017 13.131 -4.407 1.00 0.00 N ATOM 99 CA GLU A 7 -2.190 12.793 -2.995 1.00 0.00 C ATOM 100 C GLU A 7 -1.305 11.609 -2.601 1.00 0.00 C ATOM 101 O GLU A 7 -1.719 10.732 -1.846 1.00 0.00 O ATOM 102 CB GLU A 7 -3.664 12.480 -2.710 1.00 0.00 C ATOM 103 CG GLU A 7 -3.971 12.193 -1.245 1.00 0.00 C ATOM 104 CD GLU A 7 -3.615 13.352 -0.333 1.00 0.00 C ATOM 105 OE1 GLU A 7 -2.425 13.727 -0.286 1.00 0.00 O ATOM 106 OE2 GLU A 7 -4.527 13.884 0.334 1.00 0.00 O ATOM 0 H GLU A 7 -1.910 14.129 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.886 13.651 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.273 13.322 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.963 11.619 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.032 11.965 -1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.421 11.306 -0.930 1.00 0.00 H new ATOM 113 N LEU A 8 -0.080 11.590 -3.120 1.00 0.00 N ATOM 114 CA LEU A 8 0.856 10.512 -2.818 1.00 0.00 C ATOM 115 C LEU A 8 0.289 9.161 -3.247 1.00 0.00 C ATOM 116 O LEU A 8 0.582 8.135 -2.640 1.00 0.00 O ATOM 117 CB LEU A 8 1.162 10.495 -1.318 1.00 0.00 C ATOM 118 CG LEU A 8 1.795 11.776 -0.770 1.00 0.00 C ATOM 119 CD1 LEU A 8 2.042 11.654 0.726 1.00 0.00 C ATOM 120 CD2 LEU A 8 3.092 12.083 -1.505 1.00 0.00 C ATOM 0 H LEU A 8 0.286 12.305 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 8 1.776 10.690 -3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.235 10.305 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.830 9.660 -1.109 1.00 0.00 H new ATOM 0 HG LEU A 8 1.102 12.601 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.492 12.575 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.095 11.481 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.715 10.818 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.530 12.997 -1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.790 11.257 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.886 12.215 -2.567 1.00 0.00 H new ATOM 132 N PHE A 9 -0.535 9.175 -4.291 1.00 0.00 N ATOM 133 CA PHE A 9 -1.166 7.958 -4.799 1.00 0.00 C ATOM 134 C PHE A 9 -0.163 6.825 -4.970 1.00 0.00 C ATOM 135 O PHE A 9 -0.522 5.649 -4.920 1.00 0.00 O ATOM 136 CB PHE A 9 -1.863 8.229 -6.138 1.00 0.00 C ATOM 137 CG PHE A 9 -0.924 8.595 -7.257 1.00 0.00 C ATOM 138 CD1 PHE A 9 -0.124 9.726 -7.181 1.00 0.00 C ATOM 139 CD2 PHE A 9 -0.844 7.800 -8.388 1.00 0.00 C ATOM 140 CE1 PHE A 9 0.736 10.053 -8.212 1.00 0.00 C ATOM 141 CE2 PHE A 9 0.014 8.123 -9.422 1.00 0.00 C ATOM 142 CZ PHE A 9 0.805 9.251 -9.333 1.00 0.00 C ATOM 0 H PHE A 9 -0.783 10.020 -4.805 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.904 7.650 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.428 7.343 -6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.583 9.036 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.174 10.358 -6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.460 6.916 -8.463 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.354 10.936 -8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.066 7.494 -10.298 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.477 9.505 -10.139 1.00 0.00 H new ATOM 152 N LEU A 10 1.087 7.187 -5.181 1.00 0.00 N ATOM 153 CA LEU A 10 2.145 6.219 -5.373 1.00 0.00 C ATOM 154 C LEU A 10 2.569 5.608 -4.039 1.00 0.00 C ATOM 155 O LEU A 10 2.269 4.446 -3.754 1.00 0.00 O ATOM 156 CB LEU A 10 3.310 6.920 -6.075 1.00 0.00 C ATOM 157 CG LEU A 10 4.532 6.066 -6.401 1.00 0.00 C ATOM 158 CD1 LEU A 10 5.513 6.883 -7.222 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.193 5.578 -5.126 1.00 0.00 C ATOM 0 H LEU A 10 1.396 8.158 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 10 1.796 5.394 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.937 7.349 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.634 7.751 -5.448 1.00 0.00 H new ATOM 0 HG LEU A 10 4.217 5.196 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.387 6.275 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.035 7.203 -8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.823 7.759 -6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.063 4.971 -5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.508 6.434 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.484 4.978 -4.555 1.00 0.00 H new ATOM 171 N ASN A 11 3.267 6.393 -3.225 1.00 0.00 N ATOM 172 CA ASN A 11 3.732 5.923 -1.926 1.00 0.00 C ATOM 173 C ASN A 11 2.565 5.609 -0.993 1.00 0.00 C ATOM 174 O ASN A 11 2.733 4.933 0.019 1.00 0.00 O ATOM 175 CB ASN A 11 4.658 6.958 -1.285 1.00 0.00 C ATOM 176 CG ASN A 11 3.998 8.312 -1.132 1.00 0.00 C ATOM 177 OD1 ASN A 11 3.595 8.932 -2.117 1.00 0.00 O ATOM 178 ND2 ASN A 11 3.884 8.780 0.105 1.00 0.00 N ATOM 0 H ASN A 11 3.523 7.356 -3.442 1.00 0.00 H new ATOM 0 HA ASN A 11 4.288 5.000 -2.088 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.975 6.600 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.557 7.062 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.448 9.688 0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.232 8.232 0.892 1.00 0.00 H new ATOM 185 N PHE A 12 1.379 6.092 -1.333 1.00 0.00 N ATOM 186 CA PHE A 12 0.205 5.840 -0.510 1.00 0.00 C ATOM 187 C PHE A 12 -0.369 4.461 -0.823 1.00 0.00 C ATOM 188 O PHE A 12 -0.702 3.694 0.078 1.00 0.00 O ATOM 189 CB PHE A 12 -0.859 6.917 -0.755 1.00 0.00 C ATOM 190 CG PHE A 12 -2.072 6.821 0.137 1.00 0.00 C ATOM 191 CD1 PHE A 12 -2.139 5.894 1.170 1.00 0.00 C ATOM 192 CD2 PHE A 12 -3.148 7.676 -0.054 1.00 0.00 C ATOM 193 CE1 PHE A 12 -3.252 5.821 1.985 1.00 0.00 C ATOM 194 CE2 PHE A 12 -4.262 7.606 0.759 1.00 0.00 C ATOM 195 CZ PHE A 12 -4.315 6.678 1.780 1.00 0.00 C ATOM 0 H PHE A 12 1.204 6.656 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 12 0.502 5.872 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.402 7.897 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.184 6.858 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.310 5.222 1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.114 8.406 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.291 5.094 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.092 8.277 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.186 6.623 2.417 1.00 0.00 H new ATOM 205 N THR A 13 -0.488 4.154 -2.109 1.00 0.00 N ATOM 206 CA THR A 13 -1.035 2.874 -2.542 1.00 0.00 C ATOM 207 C THR A 13 -0.141 1.695 -2.158 1.00 0.00 C ATOM 208 O THR A 13 -0.635 0.592 -1.924 1.00 0.00 O ATOM 209 CB THR A 13 -1.267 2.883 -4.055 1.00 0.00 C ATOM 210 OG1 THR A 13 -2.180 3.905 -4.415 1.00 0.00 O ATOM 211 CG2 THR A 13 -1.813 1.575 -4.588 1.00 0.00 C ATOM 0 H THR A 13 -0.213 4.774 -2.871 1.00 0.00 H new ATOM 0 HA THR A 13 -1.985 2.742 -2.025 1.00 0.00 H new ATOM 0 HB THR A 13 -0.285 3.054 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.725 4.568 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.953 1.652 -5.666 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.110 0.771 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.770 1.359 -4.112 1.00 0.00 H new ATOM 219 N ILE A 14 1.166 1.911 -2.087 1.00 0.00 N ATOM 220 CA ILE A 14 2.069 0.848 -1.735 1.00 0.00 C ATOM 221 C ILE A 14 2.180 0.705 -0.232 1.00 0.00 C ATOM 222 O ILE A 14 2.047 -0.389 0.311 1.00 0.00 O ATOM 223 CB ILE A 14 3.441 1.026 -2.411 1.00 0.00 C ATOM 224 CG1 ILE A 14 4.053 2.415 -2.199 1.00 0.00 C ATOM 225 CG2 ILE A 14 3.352 0.706 -3.894 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.653 2.624 -0.832 1.00 0.00 C ATOM 0 H ILE A 14 1.612 2.810 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 14 1.655 -0.086 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 14 4.112 0.318 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.825 2.578 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.283 3.168 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.331 0.838 -4.354 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.025 -0.326 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.635 1.376 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.064 3.631 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.882 2.496 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.448 1.896 -0.668 1.00 0.00 H new ATOM 238 N VAL A 15 2.361 1.820 0.426 1.00 0.00 N ATOM 239 CA VAL A 15 2.428 1.852 1.883 1.00 0.00 C ATOM 240 C VAL A 15 1.078 1.478 2.475 1.00 0.00 C ATOM 241 O VAL A 15 0.996 1.017 3.613 1.00 0.00 O ATOM 242 CB VAL A 15 2.811 3.244 2.409 1.00 0.00 C ATOM 243 CG1 VAL A 15 2.671 3.306 3.926 1.00 0.00 C ATOM 244 CG2 VAL A 15 4.233 3.610 2.005 1.00 0.00 C ATOM 0 H VAL A 15 2.467 2.732 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 15 3.195 1.137 2.182 1.00 0.00 H new ATOM 0 HB VAL A 15 2.127 3.965 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.947 4.300 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.638 3.097 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.327 2.565 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.477 4.600 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.928 2.878 2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.313 3.614 0.918 1.00 0.00 H new ATOM 254 N LEU A 16 0.018 1.674 1.708 1.00 0.00 N ATOM 255 CA LEU A 16 -1.302 1.328 2.213 1.00 0.00 C ATOM 256 C LEU A 16 -1.439 -0.185 2.157 1.00 0.00 C ATOM 257 O LEU A 16 -1.853 -0.816 3.130 1.00 0.00 O ATOM 258 CB LEU A 16 -2.452 2.057 1.482 1.00 0.00 C ATOM 259 CG LEU A 16 -2.817 1.583 0.076 1.00 0.00 C ATOM 260 CD1 LEU A 16 -3.454 0.203 0.119 1.00 0.00 C ATOM 261 CD2 LEU A 16 -3.762 2.580 -0.580 1.00 0.00 C ATOM 0 H LEU A 16 0.040 2.058 0.763 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.390 1.672 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.345 1.981 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.194 3.114 1.422 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.903 1.517 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.705 -0.113 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.754 -0.508 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.360 0.239 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.017 2.235 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.670 2.667 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.276 3.554 -0.645 1.00 0.00 H new ATOM 273 N ILE A 17 -1.022 -0.778 1.033 1.00 0.00 N ATOM 274 CA ILE A 17 -1.043 -2.227 0.908 1.00 0.00 C ATOM 275 C ILE A 17 -0.073 -2.827 1.912 1.00 0.00 C ATOM 276 O ILE A 17 -0.259 -3.949 2.389 1.00 0.00 O ATOM 277 CB ILE A 17 -0.659 -2.712 -0.512 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.658 -2.212 -1.556 1.00 0.00 C ATOM 279 CG2 ILE A 17 -0.576 -4.233 -0.553 1.00 0.00 C ATOM 280 CD1 ILE A 17 -3.075 -2.676 -1.306 1.00 0.00 C ATOM 0 H ILE A 17 -0.673 -0.281 0.213 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.065 -2.554 1.101 1.00 0.00 H new ATOM 0 HB ILE A 17 0.320 -2.298 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.639 -1.122 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.342 -2.552 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.305 -4.556 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.180 -4.575 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.543 -4.658 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.729 -2.284 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.109 -3.765 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.410 -2.314 -0.334 1.00 0.00 H new ATOM 292 N THR A 18 0.958 -2.056 2.237 1.00 0.00 N ATOM 293 CA THR A 18 1.957 -2.489 3.187 1.00 0.00 C ATOM 294 C THR A 18 1.366 -2.519 4.589 1.00 0.00 C ATOM 295 O THR A 18 1.385 -3.552 5.258 1.00 0.00 O ATOM 296 CB THR A 18 3.157 -1.551 3.132 1.00 0.00 C ATOM 297 OG1 THR A 18 2.785 -0.237 3.456 1.00 0.00 O ATOM 298 CG2 THR A 18 3.851 -1.531 1.788 1.00 0.00 C ATOM 0 H THR A 18 1.118 -1.125 1.851 1.00 0.00 H new ATOM 0 HA THR A 18 2.286 -3.496 2.931 1.00 0.00 H new ATOM 0 HB THR A 18 3.859 -1.946 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.479 0.171 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.695 -0.842 1.824 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.210 -2.532 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.149 -1.205 1.021 1.00 0.00 H new ATOM 306 N VAL A 19 0.818 -1.386 5.026 1.00 0.00 N ATOM 307 CA VAL A 19 0.202 -1.296 6.345 1.00 0.00 C ATOM 308 C VAL A 19 -0.702 -2.499 6.590 1.00 0.00 C ATOM 309 O VAL A 19 -0.772 -3.025 7.701 1.00 0.00 O ATOM 310 CB VAL A 19 -0.619 0.000 6.500 1.00 0.00 C ATOM 311 CG1 VAL A 19 -1.248 0.079 7.884 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.251 1.220 6.231 1.00 0.00 C ATOM 0 H VAL A 19 0.789 -0.521 4.486 1.00 0.00 H new ATOM 0 HA VAL A 19 1.006 -1.284 7.081 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.423 -0.015 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.822 1.001 7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.909 -0.775 8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.464 0.067 8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.346 2.125 6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.079 1.240 6.940 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.644 1.170 5.215 1.00 0.00 H new ATOM 322 N ILE A 20 -1.383 -2.937 5.534 1.00 0.00 N ATOM 323 CA ILE A 20 -2.269 -4.086 5.628 1.00 0.00 C ATOM 324 C ILE A 20 -1.489 -5.349 5.979 1.00 0.00 C ATOM 325 O ILE A 20 -1.547 -5.829 7.115 1.00 0.00 O ATOM 326 CB ILE A 20 -3.048 -4.309 4.325 1.00 0.00 C ATOM 327 CG1 ILE A 20 -3.918 -3.092 4.010 1.00 0.00 C ATOM 328 CG2 ILE A 20 -3.902 -5.566 4.410 1.00 0.00 C ATOM 329 CD1 ILE A 20 -4.944 -2.792 5.081 1.00 0.00 C ATOM 0 H ILE A 20 -1.336 -2.513 4.608 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.983 -3.873 6.424 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.329 -4.443 3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.276 -2.221 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.431 -3.257 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.444 -5.702 3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.261 -6.430 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.613 -5.468 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.526 -1.917 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.609 -3.648 5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.437 -2.595 6.026 1.00 0.00 H new ATOM 341 N LEU A 21 -0.750 -5.892 5.007 1.00 0.00 N ATOM 342 CA LEU A 21 0.028 -7.103 5.253 1.00 0.00 C ATOM 343 C LEU A 21 0.745 -7.061 6.586 1.00 0.00 C ATOM 344 O LEU A 21 0.552 -7.933 7.415 1.00 0.00 O ATOM 345 CB LEU A 21 1.011 -7.396 4.146 1.00 0.00 C ATOM 346 CG LEU A 21 0.373 -7.944 2.881 1.00 0.00 C ATOM 347 CD1 LEU A 21 -0.560 -9.106 3.194 1.00 0.00 C ATOM 348 CD2 LEU A 21 -0.343 -6.854 2.100 1.00 0.00 C ATOM 0 H LEU A 21 -0.676 -5.519 4.061 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.698 -7.916 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.550 -6.481 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.748 -8.113 4.509 1.00 0.00 H new ATOM 0 HG LEU A 21 1.175 -8.324 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.002 -9.477 2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.004 -9.906 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.351 -8.768 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.787 -7.282 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.126 -6.417 2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.371 -6.080 1.818 1.00 0.00 H new ATOM 360 N MET A 22 1.557 -6.044 6.816 1.00 0.00 N ATOM 361 CA MET A 22 2.255 -5.945 8.089 1.00 0.00 C ATOM 362 C MET A 22 1.299 -6.222 9.249 1.00 0.00 C ATOM 363 O MET A 22 1.643 -6.945 10.186 1.00 0.00 O ATOM 364 CB MET A 22 2.921 -4.572 8.256 1.00 0.00 C ATOM 365 CG MET A 22 4.199 -4.387 7.440 1.00 0.00 C ATOM 366 SD MET A 22 3.972 -4.614 5.666 1.00 0.00 S ATOM 367 CE MET A 22 5.636 -4.327 5.071 1.00 0.00 C ATOM 0 H MET A 22 1.748 -5.290 6.156 1.00 0.00 H new ATOM 0 HA MET A 22 3.041 -6.700 8.097 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.208 -3.799 7.971 1.00 0.00 H new ATOM 0 HB3 MET A 22 3.152 -4.420 9.310 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.592 -3.387 7.621 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.950 -5.094 7.794 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.658 -4.432 3.986 1.00 0.00 H new ATOM 0 HE2 MET A 22 5.952 -3.320 5.344 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.313 -5.054 5.520 1.00 0.00 H new ATOM 377 N TRP A 23 0.086 -5.670 9.157 1.00 0.00 N ATOM 378 CA TRP A 23 -0.929 -5.855 10.180 1.00 0.00 C ATOM 379 C TRP A 23 -1.239 -7.320 10.374 1.00 0.00 C ATOM 380 O TRP A 23 -1.592 -7.748 11.472 1.00 0.00 O ATOM 381 CB TRP A 23 -2.206 -5.085 9.831 1.00 0.00 C ATOM 382 CG TRP A 23 -3.277 -5.204 10.873 1.00 0.00 C ATOM 383 CD1 TRP A 23 -3.196 -4.818 12.180 1.00 0.00 C ATOM 384 CD2 TRP A 23 -4.589 -5.749 10.696 1.00 0.00 C ATOM 385 NE1 TRP A 23 -4.378 -5.088 12.826 1.00 0.00 N ATOM 386 CE2 TRP A 23 -5.249 -5.660 11.936 1.00 0.00 C ATOM 387 CE3 TRP A 23 -5.271 -6.303 9.608 1.00 0.00 C ATOM 388 CZ2 TRP A 23 -6.557 -6.104 12.117 1.00 0.00 C ATOM 389 CZ3 TRP A 23 -6.569 -6.743 9.790 1.00 0.00 C ATOM 390 CH2 TRP A 23 -7.200 -6.641 11.035 1.00 0.00 C ATOM 0 H TRP A 23 -0.212 -5.088 8.374 1.00 0.00 H new ATOM 0 HA TRP A 23 -0.533 -5.459 11.115 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.960 -4.032 9.692 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.593 -5.450 8.880 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.329 -4.366 12.639 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.575 -4.894 13.808 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.793 -6.386 8.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -7.046 -6.027 13.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -7.105 -7.173 8.957 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.215 -6.993 11.144 1.00 0.00 H new ATOM 401 N LEU A 24 -1.092 -8.093 9.311 1.00 0.00 N ATOM 402 CA LEU A 24 -1.346 -9.526 9.410 1.00 0.00 C ATOM 403 C LEU A 24 -0.146 -10.372 8.975 1.00 0.00 C ATOM 404 O LEU A 24 0.286 -11.256 9.714 1.00 0.00 O ATOM 405 CB LEU A 24 -2.613 -9.961 8.654 1.00 0.00 C ATOM 406 CG LEU A 24 -2.623 -9.727 7.143 1.00 0.00 C ATOM 407 CD1 LEU A 24 -3.860 -10.354 6.519 1.00 0.00 C ATOM 408 CD2 LEU A 24 -2.586 -8.245 6.834 1.00 0.00 C ATOM 0 H LEU A 24 -0.805 -7.766 8.389 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.515 -9.711 10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.770 -11.024 8.835 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.465 -9.435 9.086 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.735 -10.196 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.853 -10.179 5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.861 -11.427 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.754 -9.906 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.594 -8.098 5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.458 -7.760 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.679 -7.808 7.253 1.00 0.00 H new ATOM 420 N LEU A 25 0.395 -10.116 7.784 1.00 0.00 N ATOM 421 CA LEU A 25 1.536 -10.876 7.292 1.00 0.00 C ATOM 422 C LEU A 25 2.704 -10.825 8.268 1.00 0.00 C ATOM 423 O LEU A 25 3.515 -11.749 8.323 1.00 0.00 O ATOM 424 CB LEU A 25 1.947 -10.356 5.904 1.00 0.00 C ATOM 425 CG LEU A 25 3.092 -11.103 5.204 1.00 0.00 C ATOM 426 CD1 LEU A 25 4.413 -10.914 5.935 1.00 0.00 C ATOM 427 CD2 LEU A 25 2.760 -12.583 5.082 1.00 0.00 C ATOM 0 H LEU A 25 0.062 -9.392 7.148 1.00 0.00 H new ATOM 0 HA LEU A 25 1.242 -11.922 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.072 -10.388 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.233 -9.309 6.003 1.00 0.00 H new ATOM 0 HG LEU A 25 3.203 -10.681 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.200 -11.457 5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.663 -9.853 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.324 -11.296 6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.580 -13.100 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.614 -13.006 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.847 -12.704 4.499 1.00 0.00 H new ATOM 439 N VAL A 26 2.787 -9.755 9.044 1.00 0.00 N ATOM 440 CA VAL A 26 3.862 -9.614 10.009 1.00 0.00 C ATOM 441 C VAL A 26 3.400 -9.959 11.415 1.00 0.00 C ATOM 442 O VAL A 26 4.170 -10.463 12.230 1.00 0.00 O ATOM 443 CB VAL A 26 4.454 -8.195 9.988 1.00 0.00 C ATOM 444 CG1 VAL A 26 5.513 -8.027 11.069 1.00 0.00 C ATOM 445 CG2 VAL A 26 5.043 -7.893 8.618 1.00 0.00 C ATOM 0 H VAL A 26 2.127 -8.978 9.024 1.00 0.00 H new ATOM 0 HA VAL A 26 4.640 -10.320 9.718 1.00 0.00 H new ATOM 0 HB VAL A 26 3.650 -7.488 10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.914 -7.014 11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.066 -8.203 12.047 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.318 -8.743 10.904 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.459 -6.886 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.831 -8.612 8.394 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.261 -7.965 7.862 1.00 0.00 H new ATOM 455 N ARG A 27 2.141 -9.684 11.682 1.00 0.00 N ATOM 456 CA ARG A 27 1.559 -9.961 12.983 1.00 0.00 C ATOM 457 C ARG A 27 0.899 -11.340 12.995 1.00 0.00 C ATOM 458 O ARG A 27 -0.219 -11.504 13.482 1.00 0.00 O ATOM 459 CB ARG A 27 0.542 -8.877 13.352 1.00 0.00 C ATOM 460 CG ARG A 27 -0.041 -9.025 14.751 1.00 0.00 C ATOM 461 CD ARG A 27 -1.023 -7.906 15.064 1.00 0.00 C ATOM 462 NE ARG A 27 -2.149 -7.882 14.133 1.00 0.00 N ATOM 463 CZ ARG A 27 -3.038 -8.867 14.014 1.00 0.00 C ATOM 464 NH1 ARG A 27 -2.984 -9.923 14.817 1.00 0.00 N ATOM 465 NH2 ARG A 27 -3.998 -8.785 13.103 1.00 0.00 N ATOM 0 H ARG A 27 1.495 -9.266 11.012 1.00 0.00 H new ATOM 0 HA ARG A 27 2.357 -9.957 13.726 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.021 -7.901 13.270 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.272 -8.895 12.627 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.545 -9.988 14.837 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.765 -9.020 15.485 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.397 -8.027 16.081 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.503 -6.948 15.028 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.261 -7.061 13.538 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.258 -9.984 15.531 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.668 -10.673 14.720 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.055 -7.968 12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.679 -9.538 13.011 1.00 0.00 H new ATOM 479 N SER A 28 1.599 -12.330 12.449 1.00 0.00 N ATOM 480 CA SER A 28 1.082 -13.694 12.397 1.00 0.00 C ATOM 481 C SER A 28 1.626 -14.531 13.551 1.00 0.00 C ATOM 482 O SER A 28 1.773 -15.746 13.427 1.00 0.00 O ATOM 483 CB SER A 28 1.447 -14.350 11.064 1.00 0.00 C ATOM 484 OG SER A 28 0.898 -13.633 9.973 1.00 0.00 O ATOM 0 H SER A 28 2.525 -12.214 12.037 1.00 0.00 H new ATOM 0 HA SER A 28 -0.003 -13.645 12.488 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.531 -14.396 10.963 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.081 -15.377 11.049 1.00 0.00 H new ATOM 0 HG SER A 28 0.518 -12.789 10.294 1.00 0.00 H new ATOM 490 N TYR A 29 1.924 -13.867 14.672 1.00 0.00 N ATOM 491 CA TYR A 29 2.456 -14.531 15.868 1.00 0.00 C ATOM 492 C TYR A 29 3.966 -14.763 15.755 1.00 0.00 C ATOM 493 O TYR A 29 4.629 -15.082 16.739 1.00 0.00 O ATOM 494 CB TYR A 29 1.703 -15.849 16.133 1.00 0.00 C ATOM 495 CG TYR A 29 2.124 -16.582 17.392 1.00 0.00 C ATOM 496 CD1 TYR A 29 3.376 -17.172 17.502 1.00 0.00 C ATOM 497 CD2 TYR A 29 1.261 -16.673 18.478 1.00 0.00 C ATOM 498 CE1 TYR A 29 3.757 -17.833 18.654 1.00 0.00 C ATOM 499 CE2 TYR A 29 1.634 -17.333 19.634 1.00 0.00 C ATOM 500 CZ TYR A 29 2.882 -17.911 19.717 1.00 0.00 C ATOM 501 OH TYR A 29 3.258 -18.568 20.866 1.00 0.00 O ATOM 0 H TYR A 29 1.804 -12.859 14.777 1.00 0.00 H new ATOM 0 HA TYR A 29 2.296 -13.871 16.721 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.636 -15.635 16.194 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.847 -16.511 15.279 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.065 -17.113 16.672 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.282 -16.220 18.418 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.735 -18.286 18.722 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.951 -17.395 20.468 1.00 0.00 H new ATOM 0 HH TYR A 29 2.527 -18.531 21.518 1.00 0.00 H new ATOM 511 N GLN A 30 4.506 -14.575 14.554 1.00 0.00 N ATOM 512 CA GLN A 30 5.937 -14.749 14.313 1.00 0.00 C ATOM 513 C GLN A 30 6.336 -16.214 14.450 1.00 0.00 C ATOM 514 O GLN A 30 5.769 -16.951 15.255 1.00 0.00 O ATOM 515 CB GLN A 30 6.768 -13.892 15.277 1.00 0.00 C ATOM 516 CG GLN A 30 6.500 -12.398 15.171 1.00 0.00 C ATOM 517 CD GLN A 30 5.076 -12.026 15.539 1.00 0.00 C ATOM 518 OE1 GLN A 30 4.630 -12.267 16.660 1.00 0.00 O ATOM 519 NE2 GLN A 30 4.355 -11.440 14.592 1.00 0.00 N ATOM 0 H GLN A 30 3.972 -14.301 13.729 1.00 0.00 H new ATOM 0 HA GLN A 30 6.140 -14.422 13.293 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.566 -14.215 16.298 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.826 -14.074 15.088 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.190 -11.863 15.823 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.704 -12.069 14.152 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.766 -11.259 13.676 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.389 -11.170 14.780 1.00 0.00 H new ATOM 528 N TYR A 31 7.318 -16.630 13.655 1.00 0.00 N ATOM 529 CA TYR A 31 7.795 -18.007 13.686 1.00 0.00 C ATOM 530 C TYR A 31 9.310 -18.054 13.853 1.00 0.00 C ATOM 531 O TYR A 31 9.779 -18.707 14.807 1.00 0.00 O ATOM 532 CB TYR A 31 7.389 -18.741 12.405 1.00 0.00 C ATOM 533 CG TYR A 31 5.894 -18.805 12.187 1.00 0.00 C ATOM 534 CD1 TYR A 31 5.139 -17.646 12.045 1.00 0.00 C ATOM 535 CD2 TYR A 31 5.236 -20.028 12.124 1.00 0.00 C ATOM 536 CE1 TYR A 31 3.772 -17.704 11.848 1.00 0.00 C ATOM 537 CE2 TYR A 31 3.869 -20.093 11.926 1.00 0.00 C ATOM 538 CZ TYR A 31 3.143 -18.929 11.789 1.00 0.00 C ATOM 539 OH TYR A 31 1.783 -18.991 11.592 1.00 0.00 O ATOM 540 OXT TYR A 31 10.015 -17.436 13.026 1.00 0.00 O ATOM 0 H TYR A 31 7.798 -16.032 12.982 1.00 0.00 H new ATOM 0 HA TYR A 31 7.337 -18.504 14.541 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.851 -18.245 11.551 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.786 -19.756 12.437 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.629 -16.684 12.089 1.00 0.00 H new ATOM 0 HD2 TYR A 31 5.801 -20.942 12.231 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.200 -16.794 11.741 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.372 -21.051 11.879 1.00 0.00 H new ATOM 0 HH TYR A 31 1.497 -19.928 11.574 1.00 0.00 H new TER 550 TYR A 31