USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=8 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+ 145:sc= -0.0316 (180deg=-0.267) USER MOD Single : A 4 ASN : amide:sc= -0.725 K(o=-0.72,f=-6.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.048) USER MOD Single : A 13 THR OG1 : rot -122:sc= -0.294 USER MOD Single : A 18 THR OG1 : rot 114:sc= 0.931 USER MOD Single : A 22 MET CE :methyl 177:sc= -3.4 (180deg=-3.53) USER MOD Single : A 28 SER OG : rot -20:sc= 0.493 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.4) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.889 5.738 8.178 1.00 0.00 N ATOM 2 CA MET A 1 -9.633 6.454 7.108 1.00 0.00 C ATOM 3 C MET A 1 -8.685 7.095 6.099 1.00 0.00 C ATOM 4 O MET A 1 -7.471 6.902 6.164 1.00 0.00 O ATOM 5 CB MET A 1 -10.539 7.506 7.764 1.00 0.00 C ATOM 6 CG MET A 1 -9.812 8.492 8.676 1.00 0.00 C ATOM 7 SD MET A 1 -8.633 9.547 7.809 1.00 0.00 S ATOM 8 CE MET A 1 -8.003 10.536 9.164 1.00 0.00 C ATOM 0 H1 MET A 1 -9.401 5.831 9.079 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.806 4.732 7.929 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.939 6.150 8.275 1.00 0.00 H new ATOM 0 HA MET A 1 -10.241 5.740 6.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.050 8.065 6.981 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.307 6.994 8.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.548 9.120 9.177 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.286 7.936 9.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.261 11.239 8.787 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.823 11.086 9.625 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.541 9.885 9.906 1.00 0.00 H new ATOM 20 N GLY A 2 -9.247 7.858 5.168 1.00 0.00 N ATOM 21 CA GLY A 2 -8.438 8.515 4.159 1.00 0.00 C ATOM 22 C GLY A 2 -9.266 9.353 3.204 1.00 0.00 C ATOM 23 O GLY A 2 -8.838 10.426 2.779 1.00 0.00 O ATOM 0 H GLY A 2 -10.249 8.033 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.699 9.150 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.887 7.763 3.593 1.00 0.00 H new ATOM 27 N ILE A 3 -10.458 8.858 2.868 1.00 0.00 N ATOM 28 CA ILE A 3 -11.363 9.557 1.956 1.00 0.00 C ATOM 29 C ILE A 3 -10.616 10.160 0.768 1.00 0.00 C ATOM 30 O ILE A 3 -10.995 11.211 0.250 1.00 0.00 O ATOM 31 CB ILE A 3 -12.150 10.673 2.675 1.00 0.00 C ATOM 32 CG1 ILE A 3 -11.196 11.717 3.262 1.00 0.00 C ATOM 33 CG2 ILE A 3 -13.027 10.080 3.767 1.00 0.00 C ATOM 34 CD1 ILE A 3 -11.906 12.858 3.959 1.00 0.00 C ATOM 0 H ILE A 3 -10.820 7.970 3.216 1.00 0.00 H new ATOM 0 HA ILE A 3 -12.064 8.807 1.591 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.789 11.169 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.527 11.229 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.575 12.120 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -13.576 10.878 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.732 9.376 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -12.402 9.561 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.170 13.560 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.554 13.371 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.506 12.466 4.780 1.00 0.00 H new ATOM 46 N ASN A 4 -9.552 9.487 0.342 1.00 0.00 N ATOM 47 CA ASN A 4 -8.753 9.954 -0.785 1.00 0.00 C ATOM 48 C ASN A 4 -8.546 8.835 -1.802 1.00 0.00 C ATOM 49 O ASN A 4 -8.132 7.731 -1.448 1.00 0.00 O ATOM 50 CB ASN A 4 -7.399 10.470 -0.296 1.00 0.00 C ATOM 51 CG ASN A 4 -6.597 9.402 0.422 1.00 0.00 C ATOM 52 OD1 ASN A 4 -7.034 8.858 1.436 1.00 0.00 O ATOM 53 ND2 ASN A 4 -5.416 9.097 -0.101 1.00 0.00 N ATOM 0 H ASN A 4 -9.223 8.617 0.760 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.291 10.768 -1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.826 10.840 -1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.556 11.315 0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.831 8.386 0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.093 9.573 -0.943 1.00 0.00 H new ATOM 60 N THR A 5 -8.838 9.127 -3.065 1.00 0.00 N ATOM 61 CA THR A 5 -8.684 8.140 -4.128 1.00 0.00 C ATOM 62 C THR A 5 -7.406 8.393 -4.923 1.00 0.00 C ATOM 63 O THR A 5 -6.583 7.493 -5.089 1.00 0.00 O ATOM 64 CB THR A 5 -9.898 8.168 -5.061 1.00 0.00 C ATOM 65 OG1 THR A 5 -11.089 7.911 -4.337 1.00 0.00 O ATOM 66 CG2 THR A 5 -9.819 7.152 -6.179 1.00 0.00 C ATOM 0 H THR A 5 -9.181 10.035 -3.377 1.00 0.00 H new ATOM 0 HA THR A 5 -8.614 7.154 -3.668 1.00 0.00 H new ATOM 0 HB THR A 5 -9.903 9.167 -5.498 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.855 7.934 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.711 7.226 -6.802 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.935 7.347 -6.786 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.754 6.150 -5.756 1.00 0.00 H new ATOM 74 N ARG A 6 -7.242 9.620 -5.410 1.00 0.00 N ATOM 75 CA ARG A 6 -6.058 9.981 -6.182 1.00 0.00 C ATOM 76 C ARG A 6 -5.035 10.705 -5.299 1.00 0.00 C ATOM 77 O ARG A 6 -4.315 10.065 -4.535 1.00 0.00 O ATOM 78 CB ARG A 6 -6.438 10.842 -7.397 1.00 0.00 C ATOM 79 CG ARG A 6 -7.297 10.129 -8.434 1.00 0.00 C ATOM 80 CD ARG A 6 -8.639 9.691 -7.867 1.00 0.00 C ATOM 81 NE ARG A 6 -9.484 9.059 -8.878 1.00 0.00 N ATOM 82 CZ ARG A 6 -9.943 9.683 -9.962 1.00 0.00 C ATOM 83 NH1 ARG A 6 -9.707 10.975 -10.144 1.00 0.00 N ATOM 84 NH2 ARG A 6 -10.660 9.015 -10.855 1.00 0.00 N ATOM 0 H ARG A 6 -7.912 10.379 -5.284 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.600 9.063 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.972 11.726 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.525 11.191 -7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.462 10.792 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.761 9.257 -8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.475 8.994 -7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.156 10.556 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.738 8.080 -8.746 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.171 11.498 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.062 11.446 -10.976 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.859 8.025 -10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.012 9.491 -11.685 1.00 0.00 H new ATOM 98 N GLU A 7 -4.976 12.036 -5.401 1.00 0.00 N ATOM 99 CA GLU A 7 -4.044 12.838 -4.607 1.00 0.00 C ATOM 100 C GLU A 7 -2.625 12.258 -4.646 1.00 0.00 C ATOM 101 O GLU A 7 -1.809 12.655 -5.478 1.00 0.00 O ATOM 102 CB GLU A 7 -4.539 12.950 -3.161 1.00 0.00 C ATOM 103 CG GLU A 7 -5.897 13.623 -3.031 1.00 0.00 C ATOM 104 CD GLU A 7 -5.898 15.054 -3.536 1.00 0.00 C ATOM 105 OE1 GLU A 7 -4.831 15.534 -3.971 1.00 0.00 O ATOM 106 OE2 GLU A 7 -6.968 15.696 -3.490 1.00 0.00 O ATOM 0 H GLU A 7 -5.566 12.582 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.004 13.835 -5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.595 11.952 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.808 13.511 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.637 13.047 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.204 13.612 -1.985 1.00 0.00 H new ATOM 113 N LEU A 8 -2.339 11.316 -3.751 1.00 0.00 N ATOM 114 CA LEU A 8 -1.026 10.684 -3.691 1.00 0.00 C ATOM 115 C LEU A 8 -1.160 9.171 -3.544 1.00 0.00 C ATOM 116 O LEU A 8 -0.372 8.526 -2.854 1.00 0.00 O ATOM 117 CB LEU A 8 -0.183 11.276 -2.547 1.00 0.00 C ATOM 118 CG LEU A 8 -0.814 11.266 -1.143 1.00 0.00 C ATOM 119 CD1 LEU A 8 -2.093 12.086 -1.113 1.00 0.00 C ATOM 120 CD2 LEU A 8 -1.081 9.845 -0.666 1.00 0.00 C ATOM 0 H LEU A 8 -3.002 10.973 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.509 10.888 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.758 10.729 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.060 12.307 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.098 11.723 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.517 12.062 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.871 13.117 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.810 11.668 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.527 9.873 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.765 9.352 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.143 9.292 -0.628 1.00 0.00 H new ATOM 132 N PHE A 9 -2.169 8.613 -4.211 1.00 0.00 N ATOM 133 CA PHE A 9 -2.425 7.177 -4.168 1.00 0.00 C ATOM 134 C PHE A 9 -1.146 6.378 -4.346 1.00 0.00 C ATOM 135 O PHE A 9 -1.007 5.278 -3.819 1.00 0.00 O ATOM 136 CB PHE A 9 -3.441 6.787 -5.244 1.00 0.00 C ATOM 137 CG PHE A 9 -3.765 5.319 -5.265 1.00 0.00 C ATOM 138 CD1 PHE A 9 -4.318 4.703 -4.155 1.00 0.00 C ATOM 139 CD2 PHE A 9 -3.515 4.558 -6.396 1.00 0.00 C ATOM 140 CE1 PHE A 9 -4.616 3.353 -4.171 1.00 0.00 C ATOM 141 CE2 PHE A 9 -3.811 3.208 -6.419 1.00 0.00 C ATOM 142 CZ PHE A 9 -4.363 2.605 -5.304 1.00 0.00 C ATOM 0 H PHE A 9 -2.825 9.138 -4.790 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.834 6.942 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.360 7.351 -5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.053 7.079 -6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.519 5.284 -3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.084 5.025 -7.269 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.046 2.884 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.611 2.625 -7.306 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.596 1.551 -5.319 1.00 0.00 H new ATOM 152 N LEU A 10 -0.218 6.942 -5.093 1.00 0.00 N ATOM 153 CA LEU A 10 1.058 6.302 -5.357 1.00 0.00 C ATOM 154 C LEU A 10 1.680 5.752 -4.069 1.00 0.00 C ATOM 155 O LEU A 10 1.510 4.574 -3.737 1.00 0.00 O ATOM 156 CB LEU A 10 1.993 7.305 -6.027 1.00 0.00 C ATOM 157 CG LEU A 10 3.329 6.732 -6.477 1.00 0.00 C ATOM 158 CD1 LEU A 10 3.090 5.612 -7.475 1.00 0.00 C ATOM 159 CD2 LEU A 10 4.190 7.828 -7.084 1.00 0.00 C ATOM 0 H LEU A 10 -0.326 7.855 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 10 0.898 5.456 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.486 7.730 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.181 8.125 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 10 3.860 6.324 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.047 5.202 -7.797 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.498 4.826 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.553 6.003 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.144 7.407 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.678 8.259 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.367 8.605 -6.341 1.00 0.00 H new ATOM 171 N ASN A 11 2.390 6.608 -3.336 1.00 0.00 N ATOM 172 CA ASN A 11 3.021 6.200 -2.087 1.00 0.00 C ATOM 173 C ASN A 11 2.024 5.467 -1.198 1.00 0.00 C ATOM 174 O ASN A 11 2.354 4.457 -0.579 1.00 0.00 O ATOM 175 CB ASN A 11 3.583 7.417 -1.352 1.00 0.00 C ATOM 176 CG ASN A 11 4.630 8.153 -2.167 1.00 0.00 C ATOM 177 OD1 ASN A 11 5.659 7.584 -2.533 1.00 0.00 O ATOM 178 ND2 ASN A 11 4.372 9.422 -2.454 1.00 0.00 N ATOM 0 H ASN A 11 2.541 7.585 -3.586 1.00 0.00 H new ATOM 0 HA ASN A 11 3.841 5.522 -2.323 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.769 8.100 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.021 7.097 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.040 9.968 -2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.506 9.852 -2.130 1.00 0.00 H new ATOM 185 N PHE A 12 0.798 5.978 -1.150 1.00 0.00 N ATOM 186 CA PHE A 12 -0.252 5.367 -0.345 1.00 0.00 C ATOM 187 C PHE A 12 -0.483 3.919 -0.763 1.00 0.00 C ATOM 188 O PHE A 12 -0.817 3.072 0.062 1.00 0.00 O ATOM 189 CB PHE A 12 -1.551 6.165 -0.473 1.00 0.00 C ATOM 190 CG PHE A 12 -2.688 5.597 0.328 1.00 0.00 C ATOM 191 CD1 PHE A 12 -2.589 5.473 1.705 1.00 0.00 C ATOM 192 CD2 PHE A 12 -3.856 5.188 -0.295 1.00 0.00 C ATOM 193 CE1 PHE A 12 -3.633 4.950 2.445 1.00 0.00 C ATOM 194 CE2 PHE A 12 -4.903 4.665 0.439 1.00 0.00 C ATOM 195 CZ PHE A 12 -4.792 4.546 1.811 1.00 0.00 C ATOM 0 H PHE A 12 0.508 6.813 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 12 0.069 5.377 0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.370 7.191 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.841 6.204 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.686 5.789 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.949 5.279 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.543 4.857 3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.808 4.349 -0.059 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.610 4.138 2.387 1.00 0.00 H new ATOM 205 N THR A 13 -0.302 3.640 -2.051 1.00 0.00 N ATOM 206 CA THR A 13 -0.493 2.291 -2.572 1.00 0.00 C ATOM 207 C THR A 13 0.622 1.362 -2.100 1.00 0.00 C ATOM 208 O THR A 13 0.397 0.177 -1.856 1.00 0.00 O ATOM 209 CB THR A 13 -0.553 2.304 -4.103 1.00 0.00 C ATOM 210 OG1 THR A 13 -1.652 3.073 -4.559 1.00 0.00 O ATOM 211 CG2 THR A 13 -0.679 0.923 -4.712 1.00 0.00 C ATOM 0 H THR A 13 -0.024 4.328 -2.751 1.00 0.00 H new ATOM 0 HA THR A 13 -1.442 1.916 -2.188 1.00 0.00 H new ATOM 0 HB THR A 13 0.394 2.740 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.234 2.514 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.716 1.006 -5.798 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.181 0.318 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.593 0.449 -4.353 1.00 0.00 H new ATOM 219 N ILE A 14 1.815 1.916 -1.945 1.00 0.00 N ATOM 220 CA ILE A 14 2.959 1.140 -1.478 1.00 0.00 C ATOM 221 C ILE A 14 2.958 1.094 0.033 1.00 0.00 C ATOM 222 O ILE A 14 3.372 0.115 0.649 1.00 0.00 O ATOM 223 CB ILE A 14 4.303 1.702 -1.977 1.00 0.00 C ATOM 224 CG1 ILE A 14 4.380 1.674 -3.507 1.00 0.00 C ATOM 225 CG2 ILE A 14 5.468 0.929 -1.375 1.00 0.00 C ATOM 226 CD1 ILE A 14 3.363 2.558 -4.191 1.00 0.00 C ATOM 0 H ILE A 14 2.018 2.897 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 14 2.857 0.136 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 14 4.370 2.740 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.379 1.981 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.242 0.648 -3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.407 1.343 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.435 1.009 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.397 -0.120 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.483 2.482 -5.272 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.358 2.238 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.513 3.592 -3.881 1.00 0.00 H new ATOM 238 N VAL A 15 2.454 2.163 0.612 1.00 0.00 N ATOM 239 CA VAL A 15 2.339 2.282 2.050 1.00 0.00 C ATOM 240 C VAL A 15 1.137 1.493 2.538 1.00 0.00 C ATOM 241 O VAL A 15 1.077 1.083 3.696 1.00 0.00 O ATOM 242 CB VAL A 15 2.156 3.749 2.463 1.00 0.00 C ATOM 243 CG1 VAL A 15 2.036 3.877 3.976 1.00 0.00 C ATOM 244 CG2 VAL A 15 3.298 4.604 1.937 1.00 0.00 C ATOM 0 H VAL A 15 2.112 2.975 0.098 1.00 0.00 H new ATOM 0 HA VAL A 15 3.255 1.892 2.494 1.00 0.00 H new ATOM 0 HB VAL A 15 1.229 4.111 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.907 4.926 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.175 3.306 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.940 3.491 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.147 5.640 2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.242 4.240 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.325 4.546 0.849 1.00 0.00 H new ATOM 254 N LEU A 16 0.172 1.290 1.645 1.00 0.00 N ATOM 255 CA LEU A 16 -1.032 0.553 2.010 1.00 0.00 C ATOM 256 C LEU A 16 -0.769 -0.938 1.940 1.00 0.00 C ATOM 257 O LEU A 16 -1.254 -1.699 2.778 1.00 0.00 O ATOM 258 CB LEU A 16 -2.250 0.944 1.149 1.00 0.00 C ATOM 259 CG LEU A 16 -2.225 0.535 -0.326 1.00 0.00 C ATOM 260 CD1 LEU A 16 -2.307 -0.978 -0.490 1.00 0.00 C ATOM 261 CD2 LEU A 16 -3.367 1.210 -1.072 1.00 0.00 C ATOM 0 H LEU A 16 0.199 1.619 0.680 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.283 0.823 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.139 0.509 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.364 2.027 1.197 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.275 0.862 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.287 -1.231 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.459 -1.445 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.234 -1.342 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.342 0.914 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.318 0.908 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.260 2.292 -0.998 1.00 0.00 H new ATOM 273 N ILE A 17 0.040 -1.354 0.971 1.00 0.00 N ATOM 274 CA ILE A 17 0.394 -2.740 0.851 1.00 0.00 C ATOM 275 C ILE A 17 1.422 -3.071 1.923 1.00 0.00 C ATOM 276 O ILE A 17 1.570 -4.224 2.337 1.00 0.00 O ATOM 277 CB ILE A 17 0.892 -3.078 -0.589 1.00 0.00 C ATOM 278 CG1 ILE A 17 1.563 -4.446 -0.644 1.00 0.00 C ATOM 279 CG2 ILE A 17 1.850 -2.010 -1.111 1.00 0.00 C ATOM 280 CD1 ILE A 17 2.900 -4.447 0.051 1.00 0.00 C ATOM 0 H ILE A 17 0.455 -0.744 0.266 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.485 -3.365 1.009 1.00 0.00 H new ATOM 0 HB ILE A 17 0.011 -3.100 -1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.913 -5.188 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.695 -4.744 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.178 -2.275 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.341 -1.047 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.716 -1.944 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.342 -5.441 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.560 -3.725 -0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.766 -4.176 1.098 1.00 0.00 H new ATOM 292 N THR A 18 2.098 -2.031 2.401 1.00 0.00 N ATOM 293 CA THR A 18 3.094 -2.185 3.456 1.00 0.00 C ATOM 294 C THR A 18 2.430 -2.231 4.830 1.00 0.00 C ATOM 295 O THR A 18 2.662 -3.155 5.613 1.00 0.00 O ATOM 296 CB THR A 18 4.115 -1.046 3.404 1.00 0.00 C ATOM 297 OG1 THR A 18 4.814 -1.056 2.174 1.00 0.00 O ATOM 298 CG2 THR A 18 5.143 -1.107 4.515 1.00 0.00 C ATOM 0 H THR A 18 1.974 -1.073 2.075 1.00 0.00 H new ATOM 0 HA THR A 18 3.613 -3.129 3.291 1.00 0.00 H new ATOM 0 HB THR A 18 3.532 -0.133 3.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.592 -0.248 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.835 -0.270 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.640 -1.051 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.696 -2.044 4.448 1.00 0.00 H new ATOM 306 N VAL A 19 1.603 -1.232 5.120 1.00 0.00 N ATOM 307 CA VAL A 19 0.913 -1.165 6.401 1.00 0.00 C ATOM 308 C VAL A 19 -0.017 -2.359 6.592 1.00 0.00 C ATOM 309 O VAL A 19 -0.262 -2.790 7.719 1.00 0.00 O ATOM 310 CB VAL A 19 0.102 0.140 6.541 1.00 0.00 C ATOM 311 CG1 VAL A 19 -0.618 0.189 7.882 1.00 0.00 C ATOM 312 CG2 VAL A 19 1.008 1.350 6.378 1.00 0.00 C ATOM 0 H VAL A 19 1.395 -0.460 4.486 1.00 0.00 H new ATOM 0 HA VAL A 19 1.682 -1.185 7.173 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.649 0.161 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.183 1.118 7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.300 -0.658 7.960 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.113 0.142 8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.419 2.262 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.782 1.331 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.473 1.326 5.392 1.00 0.00 H new ATOM 322 N ILE A 20 -0.540 -2.890 5.489 1.00 0.00 N ATOM 323 CA ILE A 20 -1.446 -4.026 5.561 1.00 0.00 C ATOM 324 C ILE A 20 -0.691 -5.323 5.846 1.00 0.00 C ATOM 325 O ILE A 20 -1.037 -6.047 6.776 1.00 0.00 O ATOM 326 CB ILE A 20 -2.281 -4.187 4.271 1.00 0.00 C ATOM 327 CG1 ILE A 20 -3.268 -5.348 4.416 1.00 0.00 C ATOM 328 CG2 ILE A 20 -1.379 -4.410 3.069 1.00 0.00 C ATOM 329 CD1 ILE A 20 -4.250 -5.168 5.554 1.00 0.00 C ATOM 0 H ILE A 20 -0.352 -2.553 4.545 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.128 -3.822 6.386 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.843 -3.267 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.821 -5.462 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.710 -6.271 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.989 -4.521 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.712 -3.556 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.788 -5.314 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.918 -6.028 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.706 -5.084 6.495 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.834 -4.262 5.391 1.00 0.00 H new ATOM 341 N LEU A 21 0.339 -5.621 5.050 1.00 0.00 N ATOM 342 CA LEU A 21 1.110 -6.846 5.254 1.00 0.00 C ATOM 343 C LEU A 21 1.682 -6.908 6.664 1.00 0.00 C ATOM 344 O LEU A 21 1.920 -7.986 7.203 1.00 0.00 O ATOM 345 CB LEU A 21 2.217 -6.972 4.218 1.00 0.00 C ATOM 346 CG LEU A 21 3.167 -5.803 4.204 1.00 0.00 C ATOM 347 CD1 LEU A 21 4.061 -5.794 5.438 1.00 0.00 C ATOM 348 CD2 LEU A 21 3.990 -5.782 2.925 1.00 0.00 C ATOM 0 H LEU A 21 0.653 -5.041 4.272 1.00 0.00 H new ATOM 0 HA LEU A 21 0.431 -7.689 5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.781 -7.885 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.768 -7.076 3.230 1.00 0.00 H new ATOM 0 HG LEU A 21 2.568 -4.892 4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.733 -4.937 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.444 -5.726 6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.646 -6.713 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.667 -4.928 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.569 -6.702 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.325 -5.701 2.065 1.00 0.00 H new ATOM 360 N MET A 22 1.898 -5.749 7.265 1.00 0.00 N ATOM 361 CA MET A 22 2.433 -5.699 8.614 1.00 0.00 C ATOM 362 C MET A 22 1.356 -6.131 9.602 1.00 0.00 C ATOM 363 O MET A 22 1.474 -7.168 10.255 1.00 0.00 O ATOM 364 CB MET A 22 2.937 -4.282 8.931 1.00 0.00 C ATOM 365 CG MET A 22 3.621 -4.134 10.287 1.00 0.00 C ATOM 366 SD MET A 22 2.516 -4.381 11.692 1.00 0.00 S ATOM 367 CE MET A 22 1.317 -3.080 11.412 1.00 0.00 C ATOM 0 H MET A 22 1.713 -4.839 6.844 1.00 0.00 H new ATOM 0 HA MET A 22 3.278 -6.382 8.698 1.00 0.00 H new ATOM 0 HB2 MET A 22 3.636 -3.978 8.152 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.093 -3.594 8.889 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.440 -4.851 10.350 1.00 0.00 H new ATOM 0 HG3 MET A 22 4.062 -3.139 10.354 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.536 -3.136 12.170 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.812 -2.110 11.471 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.873 -3.201 10.424 1.00 0.00 H new ATOM 377 N TRP A 23 0.291 -5.345 9.680 1.00 0.00 N ATOM 378 CA TRP A 23 -0.815 -5.643 10.569 1.00 0.00 C ATOM 379 C TRP A 23 -1.581 -6.864 10.088 1.00 0.00 C ATOM 380 O TRP A 23 -2.528 -7.304 10.741 1.00 0.00 O ATOM 381 CB TRP A 23 -1.755 -4.441 10.670 1.00 0.00 C ATOM 382 CG TRP A 23 -2.918 -4.670 11.588 1.00 0.00 C ATOM 383 CD1 TRP A 23 -2.866 -4.953 12.922 1.00 0.00 C ATOM 384 CD2 TRP A 23 -4.305 -4.636 11.237 1.00 0.00 C ATOM 385 NE1 TRP A 23 -4.138 -5.096 13.423 1.00 0.00 N ATOM 386 CE2 TRP A 23 -5.039 -4.906 12.408 1.00 0.00 C ATOM 387 CE3 TRP A 23 -4.997 -4.403 10.047 1.00 0.00 C ATOM 388 CZ2 TRP A 23 -6.431 -4.949 12.421 1.00 0.00 C ATOM 389 CZ3 TRP A 23 -6.380 -4.446 10.061 1.00 0.00 C ATOM 390 CH2 TRP A 23 -7.083 -4.717 11.241 1.00 0.00 C ATOM 0 H TRP A 23 0.173 -4.492 9.133 1.00 0.00 H new ATOM 0 HA TRP A 23 -0.408 -5.858 11.557 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.191 -3.576 11.019 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.129 -4.197 9.676 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.959 -5.050 13.499 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.373 -5.309 14.392 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.463 -4.193 9.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.976 -5.158 13.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.926 -4.268 9.147 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.162 -4.743 11.219 1.00 0.00 H new ATOM 401 N LEU A 24 -1.176 -7.420 8.945 1.00 0.00 N ATOM 402 CA LEU A 24 -1.851 -8.587 8.421 1.00 0.00 C ATOM 403 C LEU A 24 -0.869 -9.710 8.116 1.00 0.00 C ATOM 404 O LEU A 24 -0.899 -10.755 8.767 1.00 0.00 O ATOM 405 CB LEU A 24 -2.672 -8.225 7.175 1.00 0.00 C ATOM 406 CG LEU A 24 -3.540 -9.349 6.594 1.00 0.00 C ATOM 407 CD1 LEU A 24 -2.687 -10.508 6.099 1.00 0.00 C ATOM 408 CD2 LEU A 24 -4.541 -9.833 7.632 1.00 0.00 C ATOM 0 H LEU A 24 -0.397 -7.082 8.380 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.534 -8.948 9.190 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.319 -7.383 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.987 -7.883 6.399 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.084 -8.946 5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.332 -11.287 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.011 -10.155 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.106 -10.913 6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.150 -10.630 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.007 -10.211 8.504 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.184 -9.005 7.931 1.00 0.00 H new ATOM 420 N LEU A 25 0.001 -9.512 7.128 1.00 0.00 N ATOM 421 CA LEU A 25 0.967 -10.546 6.775 1.00 0.00 C ATOM 422 C LEU A 25 1.951 -10.806 7.910 1.00 0.00 C ATOM 423 O LEU A 25 2.664 -11.809 7.902 1.00 0.00 O ATOM 424 CB LEU A 25 1.712 -10.197 5.484 1.00 0.00 C ATOM 425 CG LEU A 25 0.832 -10.096 4.236 1.00 0.00 C ATOM 426 CD1 LEU A 25 1.669 -9.732 3.017 1.00 0.00 C ATOM 427 CD2 LEU A 25 0.092 -11.407 4.005 1.00 0.00 C ATOM 0 H LEU A 25 0.057 -8.661 6.568 1.00 0.00 H new ATOM 0 HA LEU A 25 0.405 -11.464 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.227 -9.247 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.479 -10.952 5.309 1.00 0.00 H new ATOM 0 HG LEU A 25 0.098 -9.306 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.025 -9.665 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.156 -8.771 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.426 -10.499 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.530 -11.321 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.813 -12.213 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.537 -11.626 4.868 1.00 0.00 H new ATOM 439 N VAL A 26 1.987 -9.911 8.894 1.00 0.00 N ATOM 440 CA VAL A 26 2.879 -10.073 10.025 1.00 0.00 C ATOM 441 C VAL A 26 2.099 -10.316 11.307 1.00 0.00 C ATOM 442 O VAL A 26 2.588 -10.962 12.235 1.00 0.00 O ATOM 443 CB VAL A 26 3.786 -8.846 10.212 1.00 0.00 C ATOM 444 CG1 VAL A 26 4.754 -9.058 11.367 1.00 0.00 C ATOM 445 CG2 VAL A 26 4.534 -8.530 8.926 1.00 0.00 C ATOM 0 H VAL A 26 1.409 -9.071 8.926 1.00 0.00 H new ATOM 0 HA VAL A 26 3.502 -10.941 9.811 1.00 0.00 H new ATOM 0 HB VAL A 26 3.156 -7.991 10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.385 -8.176 11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.193 -9.222 12.287 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.379 -9.928 11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.170 -7.658 9.080 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.150 -9.384 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.818 -8.321 8.131 1.00 0.00 H new ATOM 455 N ARG A 27 0.888 -9.789 11.351 1.00 0.00 N ATOM 456 CA ARG A 27 0.033 -9.936 12.517 1.00 0.00 C ATOM 457 C ARG A 27 -1.123 -10.899 12.247 1.00 0.00 C ATOM 458 O ARG A 27 -2.275 -10.600 12.562 1.00 0.00 O ATOM 459 CB ARG A 27 -0.509 -8.575 12.953 1.00 0.00 C ATOM 460 CG ARG A 27 0.577 -7.577 13.322 1.00 0.00 C ATOM 461 CD ARG A 27 1.431 -8.083 14.473 1.00 0.00 C ATOM 462 NE ARG A 27 0.639 -8.322 15.677 1.00 0.00 N ATOM 463 CZ ARG A 27 1.148 -8.769 16.823 1.00 0.00 C ATOM 464 NH1 ARG A 27 2.446 -9.027 16.925 1.00 0.00 N ATOM 465 NH2 ARG A 27 0.357 -8.957 17.870 1.00 0.00 N ATOM 0 H ARG A 27 0.473 -9.253 10.589 1.00 0.00 H new ATOM 0 HA ARG A 27 0.638 -10.355 13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.114 -8.159 12.147 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.169 -8.714 13.809 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.209 -7.388 12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.121 -6.626 13.597 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.928 -9.007 14.177 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.213 -7.356 14.692 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.363 -8.135 15.637 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.059 -8.883 16.123 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.830 -9.369 17.806 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.641 -8.759 17.797 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.746 -9.299 18.748 1.00 0.00 H new ATOM 479 N SER A 28 -0.810 -12.055 11.672 1.00 0.00 N ATOM 480 CA SER A 28 -1.827 -13.059 11.371 1.00 0.00 C ATOM 481 C SER A 28 -1.189 -14.408 11.054 1.00 0.00 C ATOM 482 O SER A 28 -1.721 -15.184 10.260 1.00 0.00 O ATOM 483 CB SER A 28 -2.694 -12.609 10.195 1.00 0.00 C ATOM 484 OG SER A 28 -3.337 -11.376 10.472 1.00 0.00 O ATOM 0 H SER A 28 0.138 -12.321 11.405 1.00 0.00 H new ATOM 0 HA SER A 28 -2.455 -13.171 12.255 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.076 -12.507 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.442 -13.372 9.979 1.00 0.00 H new ATOM 0 HG SER A 28 -3.362 -11.230 11.441 1.00 0.00 H new ATOM 490 N TYR A 29 -0.047 -14.681 11.675 1.00 0.00 N ATOM 491 CA TYR A 29 0.660 -15.935 11.454 1.00 0.00 C ATOM 492 C TYR A 29 1.485 -16.333 12.673 1.00 0.00 C ATOM 493 O TYR A 29 0.956 -16.846 13.659 1.00 0.00 O ATOM 494 CB TYR A 29 1.557 -15.833 10.215 1.00 0.00 C ATOM 495 CG TYR A 29 0.793 -15.627 8.925 1.00 0.00 C ATOM 496 CD1 TYR A 29 -0.139 -16.561 8.492 1.00 0.00 C ATOM 497 CD2 TYR A 29 1.005 -14.500 8.141 1.00 0.00 C ATOM 498 CE1 TYR A 29 -0.840 -16.378 7.315 1.00 0.00 C ATOM 499 CE2 TYR A 29 0.308 -14.309 6.964 1.00 0.00 C ATOM 500 CZ TYR A 29 -0.612 -15.250 6.555 1.00 0.00 C ATOM 501 OH TYR A 29 -1.308 -15.064 5.382 1.00 0.00 O ATOM 0 H TYR A 29 0.408 -14.050 12.335 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.087 -16.712 11.287 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.254 -15.006 10.350 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.152 -16.742 10.133 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.319 -17.445 9.085 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.727 -13.761 8.457 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.562 -17.114 6.992 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.483 -13.426 6.367 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.031 -14.220 4.968 1.00 0.00 H new ATOM 511 N GLN A 30 2.785 -16.103 12.585 1.00 0.00 N ATOM 512 CA GLN A 30 3.709 -16.437 13.647 1.00 0.00 C ATOM 513 C GLN A 30 3.592 -17.913 14.022 1.00 0.00 C ATOM 514 O GLN A 30 3.261 -18.254 15.158 1.00 0.00 O ATOM 515 CB GLN A 30 3.475 -15.567 14.881 1.00 0.00 C ATOM 516 CG GLN A 30 4.575 -15.756 15.896 1.00 0.00 C ATOM 517 CD GLN A 30 5.912 -15.353 15.315 1.00 0.00 C ATOM 518 OE1 GLN A 30 6.235 -14.168 15.237 1.00 0.00 O ATOM 519 NE2 GLN A 30 6.637 -16.330 14.793 1.00 0.00 N ATOM 0 H GLN A 30 3.227 -15.678 11.770 1.00 0.00 H new ATOM 0 HA GLN A 30 4.716 -16.244 13.277 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.424 -14.519 14.586 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.514 -15.819 15.330 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.364 -15.160 16.784 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.610 -16.798 16.213 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.329 -17.298 14.883 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.504 -16.115 14.301 1.00 0.00 H new ATOM 528 N TYR A 31 3.866 -18.783 13.055 1.00 0.00 N ATOM 529 CA TYR A 31 3.792 -20.222 13.278 1.00 0.00 C ATOM 530 C TYR A 31 5.182 -20.847 13.205 1.00 0.00 C ATOM 531 O TYR A 31 5.724 -21.211 14.270 1.00 0.00 O ATOM 532 CB TYR A 31 2.872 -20.870 12.237 1.00 0.00 C ATOM 533 CG TYR A 31 2.658 -22.362 12.419 1.00 0.00 C ATOM 534 CD1 TYR A 31 3.203 -23.053 13.500 1.00 0.00 C ATOM 535 CD2 TYR A 31 1.896 -23.080 11.506 1.00 0.00 C ATOM 536 CE1 TYR A 31 2.996 -24.410 13.658 1.00 0.00 C ATOM 537 CE2 TYR A 31 1.685 -24.438 11.659 1.00 0.00 C ATOM 538 CZ TYR A 31 2.238 -25.097 12.736 1.00 0.00 C ATOM 539 OH TYR A 31 2.031 -26.448 12.891 1.00 0.00 O ATOM 540 OXT TYR A 31 5.718 -20.966 12.083 1.00 0.00 O ATOM 0 H TYR A 31 4.141 -18.516 12.110 1.00 0.00 H new ATOM 0 HA TYR A 31 3.383 -20.397 14.273 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.903 -20.372 12.268 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.289 -20.695 11.245 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.797 -22.519 14.226 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.460 -22.568 10.661 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.427 -24.930 14.501 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.090 -24.979 10.938 1.00 0.00 H new ATOM 0 HH TYR A 31 1.474 -26.780 12.156 1.00 0.00 H new TER 550 TYR A 31