USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=9 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 Set 1.1: A 4 ASN : amide:sc= -5.19! C(o=-4.1!,f=-15!) USER MOD Set 1.2: A 5 THR OG1 : rot 71:sc= 1.05 USER MOD Single : A 1 MET CE :methyl -176:sc= -1.38 (180deg=-1.54) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0961 (180deg=-0.479) USER MOD Single : A 11 ASN : amide:sc= -5.63! C(o=-5.6!,f=-18!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 51:sc= -7.77! USER MOD Single : A 22 MET CE :methyl -131:sc= -10.2! (180deg=-14.9!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.078 17.457 -5.256 1.00 0.00 N ATOM 2 CA MET A 1 -1.954 17.795 -4.103 1.00 0.00 C ATOM 3 C MET A 1 -2.806 16.604 -3.674 1.00 0.00 C ATOM 4 O MET A 1 -3.850 16.770 -3.043 1.00 0.00 O ATOM 5 CB MET A 1 -2.832 18.992 -4.495 1.00 0.00 C ATOM 6 CG MET A 1 -3.641 18.800 -5.775 1.00 0.00 C ATOM 7 SD MET A 1 -4.876 17.489 -5.664 1.00 0.00 S ATOM 8 CE MET A 1 -5.601 17.568 -7.299 1.00 0.00 C ATOM 0 H1 MET A 1 -0.682 18.330 -5.659 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.304 16.842 -4.935 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.635 16.962 -5.982 1.00 0.00 H new ATOM 0 HA MET A 1 -1.335 18.056 -3.245 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.519 19.204 -3.676 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.195 19.869 -4.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.140 19.737 -6.023 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.959 18.576 -6.595 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.431 16.865 -7.363 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.966 18.578 -7.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.848 17.310 -8.044 1.00 0.00 H new ATOM 20 N GLY A 2 -2.352 15.402 -4.014 1.00 0.00 N ATOM 21 CA GLY A 2 -3.084 14.202 -3.653 1.00 0.00 C ATOM 22 C GLY A 2 -3.181 13.215 -4.799 1.00 0.00 C ATOM 23 O GLY A 2 -3.295 12.009 -4.581 1.00 0.00 O ATOM 0 H GLY A 2 -1.490 15.238 -4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.594 13.723 -2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.088 14.476 -3.328 1.00 0.00 H new ATOM 27 N ILE A 3 -3.137 13.729 -6.023 1.00 0.00 N ATOM 28 CA ILE A 3 -3.221 12.887 -7.211 1.00 0.00 C ATOM 29 C ILE A 3 -2.079 13.191 -8.177 1.00 0.00 C ATOM 30 O ILE A 3 -1.146 13.918 -7.835 1.00 0.00 O ATOM 31 CB ILE A 3 -4.568 13.079 -7.936 1.00 0.00 C ATOM 32 CG1 ILE A 3 -4.734 14.535 -8.377 1.00 0.00 C ATOM 33 CG2 ILE A 3 -5.718 12.660 -7.033 1.00 0.00 C ATOM 34 CD1 ILE A 3 -6.035 14.804 -9.101 1.00 0.00 C ATOM 0 H ILE A 3 -3.044 14.726 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.143 11.852 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.578 12.448 -8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.676 15.180 -7.500 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.903 14.806 -9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.663 12.801 -7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.605 11.610 -6.764 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.711 13.269 -6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.084 15.856 -9.383 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.088 14.185 -9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.872 14.565 -8.445 1.00 0.00 H new ATOM 46 N ASN A 4 -2.157 12.629 -9.383 1.00 0.00 N ATOM 47 CA ASN A 4 -1.131 12.835 -10.404 1.00 0.00 C ATOM 48 C ASN A 4 0.277 12.689 -9.808 1.00 0.00 C ATOM 49 O ASN A 4 0.499 11.838 -8.947 1.00 0.00 O ATOM 50 CB ASN A 4 -1.319 14.209 -11.066 1.00 0.00 C ATOM 51 CG ASN A 4 -1.186 15.357 -10.084 1.00 0.00 C ATOM 52 OD1 ASN A 4 -0.146 15.533 -9.450 1.00 0.00 O ATOM 53 ND2 ASN A 4 -2.245 16.149 -9.956 1.00 0.00 N ATOM 0 H ASN A 4 -2.924 12.025 -9.677 1.00 0.00 H new ATOM 0 HA ASN A 4 -1.239 12.067 -11.169 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.582 14.329 -11.860 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.302 14.250 -11.535 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.216 16.940 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.087 15.966 -10.501 1.00 0.00 H new ATOM 60 N THR A 5 1.224 13.516 -10.260 1.00 0.00 N ATOM 61 CA THR A 5 2.590 13.465 -9.761 1.00 0.00 C ATOM 62 C THR A 5 3.106 12.014 -9.762 1.00 0.00 C ATOM 63 O THR A 5 3.265 11.424 -10.829 1.00 0.00 O ATOM 64 CB THR A 5 2.624 14.101 -8.371 1.00 0.00 C ATOM 65 OG1 THR A 5 2.122 15.425 -8.423 1.00 0.00 O ATOM 66 CG2 THR A 5 4.005 14.175 -7.756 1.00 0.00 C ATOM 0 H THR A 5 1.063 14.228 -10.972 1.00 0.00 H new ATOM 0 HA THR A 5 3.258 14.030 -10.411 1.00 0.00 H new ATOM 0 HB THR A 5 2.008 13.449 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.154 15.402 -8.573 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.941 14.639 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.414 13.169 -7.657 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.657 14.770 -8.396 1.00 0.00 H new ATOM 74 N ARG A 6 3.339 11.430 -8.580 1.00 0.00 N ATOM 75 CA ARG A 6 3.805 10.043 -8.477 1.00 0.00 C ATOM 76 C ARG A 6 4.271 9.735 -7.057 1.00 0.00 C ATOM 77 O ARG A 6 4.156 8.603 -6.588 1.00 0.00 O ATOM 78 CB ARG A 6 4.947 9.730 -9.458 1.00 0.00 C ATOM 79 CG ARG A 6 6.246 10.486 -9.199 1.00 0.00 C ATOM 80 CD ARG A 6 6.106 11.982 -9.427 1.00 0.00 C ATOM 81 NE ARG A 6 5.703 12.292 -10.797 1.00 0.00 N ATOM 82 CZ ARG A 6 5.577 13.528 -11.273 1.00 0.00 C ATOM 83 NH1 ARG A 6 5.901 14.573 -10.522 1.00 0.00 N ATOM 84 NH2 ARG A 6 5.147 13.720 -12.513 1.00 0.00 N ATOM 0 H ARG A 6 3.212 11.897 -7.682 1.00 0.00 H new ATOM 0 HA ARG A 6 2.954 9.413 -8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.154 8.660 -9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.609 9.955 -10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.568 10.307 -8.173 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.027 10.094 -9.851 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.370 12.387 -8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.055 12.472 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 6 5.506 11.514 -11.426 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.249 14.431 -9.574 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.802 15.518 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.913 12.920 -13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.050 14.667 -12.878 1.00 0.00 H new ATOM 98 N GLU A 7 4.801 10.749 -6.380 1.00 0.00 N ATOM 99 CA GLU A 7 5.291 10.591 -5.014 1.00 0.00 C ATOM 100 C GLU A 7 4.143 10.563 -4.001 1.00 0.00 C ATOM 101 O GLU A 7 4.377 10.514 -2.795 1.00 0.00 O ATOM 102 CB GLU A 7 6.264 11.727 -4.679 1.00 0.00 C ATOM 103 CG GLU A 7 6.854 11.645 -3.279 1.00 0.00 C ATOM 104 CD GLU A 7 7.603 10.350 -3.035 1.00 0.00 C ATOM 105 OE1 GLU A 7 8.580 10.083 -3.765 1.00 0.00 O ATOM 106 OE2 GLU A 7 7.212 9.603 -2.114 1.00 0.00 O ATOM 0 H GLU A 7 4.902 11.692 -6.756 1.00 0.00 H new ATOM 0 HA GLU A 7 5.810 9.634 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.077 11.721 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.746 12.680 -4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.530 12.486 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.053 11.741 -2.546 1.00 0.00 H new ATOM 113 N LEU A 8 2.904 10.594 -4.490 1.00 0.00 N ATOM 114 CA LEU A 8 1.739 10.572 -3.611 1.00 0.00 C ATOM 115 C LEU A 8 0.928 9.297 -3.799 1.00 0.00 C ATOM 116 O LEU A 8 0.646 8.567 -2.849 1.00 0.00 O ATOM 117 CB LEU A 8 0.852 11.794 -3.868 1.00 0.00 C ATOM 118 CG LEU A 8 1.520 13.150 -3.627 1.00 0.00 C ATOM 119 CD1 LEU A 8 2.012 13.255 -2.192 1.00 0.00 C ATOM 120 CD2 LEU A 8 2.664 13.370 -4.605 1.00 0.00 C ATOM 0 H LEU A 8 2.683 10.634 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 8 2.100 10.600 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.503 11.758 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.029 11.723 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 8 0.778 13.931 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.484 14.226 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.169 13.150 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.737 12.464 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.124 14.340 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.408 12.584 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.281 13.344 -5.625 1.00 0.00 H new ATOM 132 N PHE A 9 0.551 9.058 -5.037 1.00 0.00 N ATOM 133 CA PHE A 9 -0.248 7.889 -5.397 1.00 0.00 C ATOM 134 C PHE A 9 0.546 6.599 -5.219 1.00 0.00 C ATOM 135 O PHE A 9 -0.018 5.526 -4.997 1.00 0.00 O ATOM 136 CB PHE A 9 -0.725 8.017 -6.849 1.00 0.00 C ATOM 137 CG PHE A 9 -1.707 6.959 -7.290 1.00 0.00 C ATOM 138 CD1 PHE A 9 -2.250 6.056 -6.386 1.00 0.00 C ATOM 139 CD2 PHE A 9 -2.101 6.885 -8.618 1.00 0.00 C ATOM 140 CE1 PHE A 9 -3.159 5.101 -6.800 1.00 0.00 C ATOM 141 CE2 PHE A 9 -3.009 5.931 -9.035 1.00 0.00 C ATOM 142 CZ PHE A 9 -3.537 5.036 -8.126 1.00 0.00 C ATOM 0 H PHE A 9 0.785 9.662 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.110 7.846 -4.732 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.185 8.996 -6.980 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.144 7.982 -7.506 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.959 6.100 -5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.693 7.582 -9.335 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.574 4.405 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.306 5.885 -10.072 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.244 4.287 -8.451 1.00 0.00 H new ATOM 152 N LEU A 10 1.857 6.709 -5.316 1.00 0.00 N ATOM 153 CA LEU A 10 2.736 5.568 -5.176 1.00 0.00 C ATOM 154 C LEU A 10 2.887 5.176 -3.710 1.00 0.00 C ATOM 155 O LEU A 10 2.572 4.049 -3.325 1.00 0.00 O ATOM 156 CB LEU A 10 4.086 5.913 -5.810 1.00 0.00 C ATOM 157 CG LEU A 10 5.165 4.839 -5.733 1.00 0.00 C ATOM 158 CD1 LEU A 10 6.384 5.283 -6.522 1.00 0.00 C ATOM 159 CD2 LEU A 10 5.541 4.580 -4.286 1.00 0.00 C ATOM 0 H LEU A 10 2.340 7.590 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 10 2.310 4.706 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.919 6.155 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.467 6.815 -5.332 1.00 0.00 H new ATOM 0 HG LEU A 10 4.781 3.914 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.154 4.514 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.105 5.442 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.769 6.213 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.312 3.811 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.919 5.499 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.662 4.243 -3.736 1.00 0.00 H new ATOM 171 N ASN A 11 3.366 6.110 -2.895 1.00 0.00 N ATOM 172 CA ASN A 11 3.554 5.857 -1.471 1.00 0.00 C ATOM 173 C ASN A 11 2.229 5.510 -0.802 1.00 0.00 C ATOM 174 O ASN A 11 2.202 4.906 0.268 1.00 0.00 O ATOM 175 CB ASN A 11 4.175 7.076 -0.790 1.00 0.00 C ATOM 176 CG ASN A 11 3.291 8.300 -0.895 1.00 0.00 C ATOM 177 OD1 ASN A 11 2.953 8.739 -1.991 1.00 0.00 O ATOM 178 ND2 ASN A 11 2.913 8.858 0.249 1.00 0.00 N ATOM 0 H ASN A 11 3.631 7.048 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 11 4.230 5.008 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.357 6.850 0.261 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.143 7.289 -1.243 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.317 9.686 0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.218 8.459 1.137 1.00 0.00 H new ATOM 185 N PHE A 12 1.128 5.897 -1.437 1.00 0.00 N ATOM 186 CA PHE A 12 -0.195 5.624 -0.900 1.00 0.00 C ATOM 187 C PHE A 12 -0.574 4.161 -1.102 1.00 0.00 C ATOM 188 O PHE A 12 -0.656 3.387 -0.151 1.00 0.00 O ATOM 189 CB PHE A 12 -1.228 6.530 -1.579 1.00 0.00 C ATOM 190 CG PHE A 12 -2.635 6.327 -1.088 1.00 0.00 C ATOM 191 CD1 PHE A 12 -2.963 6.561 0.238 1.00 0.00 C ATOM 192 CD2 PHE A 12 -3.628 5.900 -1.955 1.00 0.00 C ATOM 193 CE1 PHE A 12 -4.257 6.375 0.689 1.00 0.00 C ATOM 194 CE2 PHE A 12 -4.922 5.712 -1.510 1.00 0.00 C ATOM 195 CZ PHE A 12 -5.237 5.949 -0.187 1.00 0.00 C ATOM 0 H PHE A 12 1.128 6.401 -2.324 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.181 5.829 0.171 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.945 7.570 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.200 6.354 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.200 6.892 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.387 5.712 -2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.501 6.562 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.687 5.380 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.248 5.802 0.163 1.00 0.00 H new ATOM 205 N THR A 13 -0.810 3.791 -2.349 1.00 0.00 N ATOM 206 CA THR A 13 -1.198 2.424 -2.683 1.00 0.00 C ATOM 207 C THR A 13 -0.256 1.380 -2.079 1.00 0.00 C ATOM 208 O THR A 13 -0.654 0.234 -1.871 1.00 0.00 O ATOM 209 CB THR A 13 -1.249 2.252 -4.203 1.00 0.00 C ATOM 210 OG1 THR A 13 -1.627 0.930 -4.545 1.00 0.00 O ATOM 211 CG2 THR A 13 0.071 2.543 -4.882 1.00 0.00 C ATOM 0 H THR A 13 -0.741 4.417 -3.151 1.00 0.00 H new ATOM 0 HA THR A 13 -2.186 2.259 -2.253 1.00 0.00 H new ATOM 0 HB THR A 13 -1.985 2.976 -4.552 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.656 0.840 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.034 2.402 -5.958 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.366 3.572 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.834 1.864 -4.500 1.00 0.00 H new ATOM 219 N ILE A 14 0.987 1.770 -1.802 1.00 0.00 N ATOM 220 CA ILE A 14 1.968 0.843 -1.238 1.00 0.00 C ATOM 221 C ILE A 14 1.907 0.816 0.273 1.00 0.00 C ATOM 222 O ILE A 14 1.502 -0.171 0.884 1.00 0.00 O ATOM 223 CB ILE A 14 3.408 1.175 -1.704 1.00 0.00 C ATOM 224 CG1 ILE A 14 4.409 0.179 -1.117 1.00 0.00 C ATOM 225 CG2 ILE A 14 3.813 2.602 -1.364 1.00 0.00 C ATOM 226 CD1 ILE A 14 4.135 -1.256 -1.510 1.00 0.00 C ATOM 0 H ILE A 14 1.338 2.715 -1.957 1.00 0.00 H new ATOM 0 HA ILE A 14 1.707 -0.147 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 14 3.418 1.089 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.413 0.451 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.394 0.259 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.830 2.784 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.132 3.300 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.767 2.746 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.884 -1.906 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.144 -1.546 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.179 -1.351 -2.595 1.00 0.00 H new ATOM 238 N VAL A 15 2.298 1.914 0.860 1.00 0.00 N ATOM 239 CA VAL A 15 2.287 2.060 2.311 1.00 0.00 C ATOM 240 C VAL A 15 0.944 1.613 2.879 1.00 0.00 C ATOM 241 O VAL A 15 0.864 1.161 4.015 1.00 0.00 O ATOM 242 CB VAL A 15 2.543 3.516 2.729 1.00 0.00 C ATOM 243 CG1 VAL A 15 2.500 3.660 4.244 1.00 0.00 C ATOM 244 CG2 VAL A 15 3.875 4.007 2.181 1.00 0.00 C ATOM 0 H VAL A 15 2.634 2.736 0.359 1.00 0.00 H new ATOM 0 HA VAL A 15 3.086 1.433 2.707 1.00 0.00 H new ATOM 0 HB VAL A 15 1.751 4.134 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.684 4.699 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.519 3.357 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.266 3.027 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.036 5.040 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.680 3.383 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.864 3.950 1.093 1.00 0.00 H new ATOM 254 N LEU A 16 -0.101 1.722 2.070 1.00 0.00 N ATOM 255 CA LEU A 16 -1.429 1.303 2.494 1.00 0.00 C ATOM 256 C LEU A 16 -1.571 -0.211 2.400 1.00 0.00 C ATOM 257 O LEU A 16 -1.829 -0.880 3.410 1.00 0.00 O ATOM 258 CB LEU A 16 -2.527 2.016 1.699 1.00 0.00 C ATOM 259 CG LEU A 16 -2.839 3.451 2.151 1.00 0.00 C ATOM 260 CD1 LEU A 16 -3.391 3.444 3.568 1.00 0.00 C ATOM 261 CD2 LEU A 16 -1.606 4.342 2.083 1.00 0.00 C ATOM 0 H LEU A 16 -0.055 2.095 1.122 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.551 1.591 3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.236 2.039 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.441 1.426 1.764 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.586 3.857 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.609 4.466 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.306 2.852 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.654 3.009 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.866 5.349 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.829 3.939 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.239 4.377 1.057 1.00 0.00 H new ATOM 273 N ILE A 17 -1.366 -0.773 1.205 1.00 0.00 N ATOM 274 CA ILE A 17 -1.440 -2.199 1.043 1.00 0.00 C ATOM 275 C ILE A 17 -0.414 -2.870 1.947 1.00 0.00 C ATOM 276 O ILE A 17 -0.548 -4.032 2.323 1.00 0.00 O ATOM 277 CB ILE A 17 -1.178 -2.569 -0.415 1.00 0.00 C ATOM 278 CG1 ILE A 17 0.224 -2.116 -0.823 1.00 0.00 C ATOM 279 CG2 ILE A 17 -2.238 -1.950 -1.316 1.00 0.00 C ATOM 280 CD1 ILE A 17 0.526 -2.325 -2.285 1.00 0.00 C ATOM 0 H ILE A 17 -1.151 -0.255 0.353 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.437 -2.543 1.319 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.235 -3.652 -0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.338 -1.058 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.959 -2.658 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.039 -2.222 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.222 -2.319 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.213 -0.865 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.537 -1.981 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.445 -3.385 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.186 -1.761 -2.888 1.00 0.00 H new ATOM 292 N THR A 18 0.602 -2.101 2.309 1.00 0.00 N ATOM 293 CA THR A 18 1.649 -2.569 3.180 1.00 0.00 C ATOM 294 C THR A 18 1.178 -2.558 4.630 1.00 0.00 C ATOM 295 O THR A 18 1.537 -3.437 5.408 1.00 0.00 O ATOM 296 CB THR A 18 2.868 -1.674 2.995 1.00 0.00 C ATOM 297 OG1 THR A 18 2.513 -0.330 3.154 1.00 0.00 O ATOM 298 CG2 THR A 18 3.539 -1.833 1.649 1.00 0.00 C ATOM 0 H THR A 18 0.716 -1.135 2.002 1.00 0.00 H new ATOM 0 HA THR A 18 1.913 -3.596 2.929 1.00 0.00 H new ATOM 0 HB THR A 18 3.580 -1.987 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.019 -0.219 3.993 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.398 -1.165 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.872 -2.864 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.831 -1.585 0.858 1.00 0.00 H new ATOM 306 N VAL A 19 0.349 -1.572 4.985 1.00 0.00 N ATOM 307 CA VAL A 19 -0.182 -1.487 6.342 1.00 0.00 C ATOM 308 C VAL A 19 -0.912 -2.773 6.697 1.00 0.00 C ATOM 309 O VAL A 19 -0.647 -3.384 7.733 1.00 0.00 O ATOM 310 CB VAL A 19 -1.148 -0.293 6.527 1.00 0.00 C ATOM 311 CG1 VAL A 19 -1.754 -0.303 7.925 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.433 1.025 6.277 1.00 0.00 C ATOM 0 H VAL A 19 0.036 -0.831 4.358 1.00 0.00 H new ATOM 0 HA VAL A 19 0.670 -1.335 7.005 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.951 -0.395 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.430 0.545 8.034 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.307 -1.230 8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.959 -0.231 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.132 1.850 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.393 1.130 6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.046 1.042 5.258 1.00 0.00 H new ATOM 322 N ILE A 20 -1.827 -3.190 5.825 1.00 0.00 N ATOM 323 CA ILE A 20 -2.576 -4.418 6.062 1.00 0.00 C ATOM 324 C ILE A 20 -1.614 -5.606 6.136 1.00 0.00 C ATOM 325 O ILE A 20 -1.678 -6.404 7.072 1.00 0.00 O ATOM 326 CB ILE A 20 -3.669 -4.642 4.985 1.00 0.00 C ATOM 327 CG1 ILE A 20 -4.471 -5.925 5.249 1.00 0.00 C ATOM 328 CG2 ILE A 20 -3.059 -4.673 3.596 1.00 0.00 C ATOM 329 CD1 ILE A 20 -3.668 -7.202 5.118 1.00 0.00 C ATOM 0 H ILE A 20 -2.064 -2.703 4.961 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.093 -4.325 7.017 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.360 -3.801 5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.892 -5.876 6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.310 -5.964 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.845 -4.831 2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.559 -3.725 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.334 -5.485 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.311 -8.059 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.269 -7.279 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.845 -7.189 5.832 1.00 0.00 H new ATOM 341 N LEU A 21 -0.690 -5.697 5.178 1.00 0.00 N ATOM 342 CA LEU A 21 0.301 -6.773 5.188 1.00 0.00 C ATOM 343 C LEU A 21 1.195 -6.664 6.421 1.00 0.00 C ATOM 344 O LEU A 21 1.723 -7.656 6.916 1.00 0.00 O ATOM 345 CB LEU A 21 1.170 -6.757 3.920 1.00 0.00 C ATOM 346 CG LEU A 21 0.544 -7.362 2.654 1.00 0.00 C ATOM 347 CD1 LEU A 21 -0.736 -6.651 2.250 1.00 0.00 C ATOM 348 CD2 LEU A 21 1.547 -7.339 1.511 1.00 0.00 C ATOM 0 H LEU A 21 -0.607 -5.048 4.396 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.245 -7.716 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.442 -5.724 3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.095 -7.293 4.133 1.00 0.00 H new ATOM 0 HG LEU A 21 0.280 -8.395 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.141 -7.114 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.465 -6.727 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.522 -5.601 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.092 -7.770 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.842 -6.310 1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.427 -7.921 1.787 1.00 0.00 H new ATOM 360 N MET A 22 1.362 -5.448 6.911 1.00 0.00 N ATOM 361 CA MET A 22 2.192 -5.207 8.079 1.00 0.00 C ATOM 362 C MET A 22 1.494 -5.754 9.321 1.00 0.00 C ATOM 363 O MET A 22 1.908 -6.767 9.886 1.00 0.00 O ATOM 364 CB MET A 22 2.440 -3.691 8.203 1.00 0.00 C ATOM 365 CG MET A 22 3.520 -3.235 9.193 1.00 0.00 C ATOM 366 SD MET A 22 3.245 -3.712 10.913 1.00 0.00 S ATOM 367 CE MET A 22 3.848 -5.395 10.917 1.00 0.00 C ATOM 0 H MET A 22 0.933 -4.610 6.517 1.00 0.00 H new ATOM 0 HA MET A 22 3.151 -5.715 7.979 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.704 -3.310 7.216 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.500 -3.217 8.487 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.479 -3.640 8.870 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.600 -2.149 9.143 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.111 -6.045 11.389 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.018 -5.723 9.892 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.784 -5.445 11.473 1.00 0.00 H new ATOM 377 N TRP A 23 0.417 -5.090 9.719 1.00 0.00 N ATOM 378 CA TRP A 23 -0.352 -5.486 10.879 1.00 0.00 C ATOM 379 C TRP A 23 -0.946 -6.870 10.716 1.00 0.00 C ATOM 380 O TRP A 23 -1.570 -7.384 11.642 1.00 0.00 O ATOM 381 CB TRP A 23 -1.460 -4.466 11.147 1.00 0.00 C ATOM 382 CG TRP A 23 -2.307 -4.801 12.338 1.00 0.00 C ATOM 383 CD1 TRP A 23 -1.888 -4.953 13.628 1.00 0.00 C ATOM 384 CD2 TRP A 23 -3.719 -5.024 12.346 1.00 0.00 C ATOM 385 NE1 TRP A 23 -2.956 -5.258 14.438 1.00 0.00 N ATOM 386 CE2 TRP A 23 -4.091 -5.307 13.672 1.00 0.00 C ATOM 387 CE3 TRP A 23 -4.705 -5.011 11.357 1.00 0.00 C ATOM 388 CZ2 TRP A 23 -5.409 -5.575 14.034 1.00 0.00 C ATOM 389 CZ3 TRP A 23 -6.013 -5.277 11.716 1.00 0.00 C ATOM 390 CH2 TRP A 23 -6.355 -5.555 13.046 1.00 0.00 C ATOM 0 H TRP A 23 0.056 -4.263 9.243 1.00 0.00 H new ATOM 0 HA TRP A 23 0.327 -5.517 11.731 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.011 -3.484 11.295 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.098 -4.395 10.266 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.867 -4.849 13.963 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.911 -5.421 15.444 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.450 -4.797 10.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.675 -5.791 15.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.784 -5.270 10.959 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.386 -5.758 13.296 1.00 0.00 H new ATOM 401 N LEU A 24 -0.766 -7.486 9.550 1.00 0.00 N ATOM 402 CA LEU A 24 -1.314 -8.810 9.352 1.00 0.00 C ATOM 403 C LEU A 24 -0.315 -9.766 8.706 1.00 0.00 C ATOM 404 O LEU A 24 0.037 -10.788 9.296 1.00 0.00 O ATOM 405 CB LEU A 24 -2.610 -8.740 8.534 1.00 0.00 C ATOM 406 CG LEU A 24 -3.365 -10.064 8.355 1.00 0.00 C ATOM 407 CD1 LEU A 24 -4.671 -9.828 7.611 1.00 0.00 C ATOM 408 CD2 LEU A 24 -2.518 -11.084 7.608 1.00 0.00 C ATOM 0 H LEU A 24 -0.260 -7.098 8.754 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.541 -9.213 10.339 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.279 -8.025 9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.372 -8.344 7.547 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.583 -10.463 9.346 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.197 -10.775 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.294 -9.137 8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.459 -9.403 6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.080 -12.012 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.263 -10.694 6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.604 -11.279 8.169 1.00 0.00 H new ATOM 420 N LEU A 25 0.121 -9.457 7.492 1.00 0.00 N ATOM 421 CA LEU A 25 1.053 -10.331 6.791 1.00 0.00 C ATOM 422 C LEU A 25 2.371 -10.471 7.542 1.00 0.00 C ATOM 423 O LEU A 25 3.132 -11.406 7.294 1.00 0.00 O ATOM 424 CB LEU A 25 1.299 -9.850 5.356 1.00 0.00 C ATOM 425 CG LEU A 25 2.242 -10.731 4.535 1.00 0.00 C ATOM 426 CD1 LEU A 25 1.691 -12.144 4.424 1.00 0.00 C ATOM 427 CD2 LEU A 25 2.458 -10.133 3.152 1.00 0.00 C ATOM 0 H LEU A 25 -0.151 -8.619 6.977 1.00 0.00 H new ATOM 0 HA LEU A 25 0.590 -11.317 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.341 -9.788 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.708 -8.840 5.392 1.00 0.00 H new ATOM 0 HG LEU A 25 3.204 -10.777 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.375 -12.756 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.585 -12.573 5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.717 -12.117 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.131 -10.772 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.502 -10.059 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.896 -9.140 3.249 1.00 0.00 H new ATOM 439 N VAL A 26 2.643 -9.552 8.461 1.00 0.00 N ATOM 440 CA VAL A 26 3.875 -9.612 9.228 1.00 0.00 C ATOM 441 C VAL A 26 3.681 -10.315 10.562 1.00 0.00 C ATOM 442 O VAL A 26 4.598 -10.957 11.074 1.00 0.00 O ATOM 443 CB VAL A 26 4.458 -8.214 9.476 1.00 0.00 C ATOM 444 CG1 VAL A 26 5.738 -8.295 10.296 1.00 0.00 C ATOM 445 CG2 VAL A 26 4.713 -7.501 8.157 1.00 0.00 C ATOM 0 H VAL A 26 2.034 -8.767 8.689 1.00 0.00 H new ATOM 0 HA VAL A 26 4.577 -10.189 8.626 1.00 0.00 H new ATOM 0 HB VAL A 26 3.728 -7.639 10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.131 -7.291 10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.525 -8.761 11.258 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.476 -8.891 9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.126 -6.511 8.352 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.420 -8.079 7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.775 -7.401 7.610 1.00 0.00 H new ATOM 455 N ARG A 27 2.493 -10.185 11.126 1.00 0.00 N ATOM 456 CA ARG A 27 2.204 -10.813 12.414 1.00 0.00 C ATOM 457 C ARG A 27 2.334 -12.332 12.331 1.00 0.00 C ATOM 458 O ARG A 27 3.368 -12.892 12.693 1.00 0.00 O ATOM 459 CB ARG A 27 0.816 -10.425 12.928 1.00 0.00 C ATOM 460 CG ARG A 27 0.660 -8.938 13.202 1.00 0.00 C ATOM 461 CD ARG A 27 -0.688 -8.628 13.831 1.00 0.00 C ATOM 462 NE ARG A 27 -0.854 -9.292 15.121 1.00 0.00 N ATOM 463 CZ ARG A 27 -1.941 -9.176 15.881 1.00 0.00 C ATOM 464 NH1 ARG A 27 -2.961 -8.425 15.483 1.00 0.00 N ATOM 465 NH2 ARG A 27 -2.010 -9.815 17.041 1.00 0.00 N ATOM 0 H ARG A 27 1.718 -9.658 10.723 1.00 0.00 H new ATOM 0 HA ARG A 27 2.944 -10.444 13.124 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.069 -10.731 12.196 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.610 -10.978 13.844 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.458 -8.603 13.865 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.765 -8.382 12.270 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.788 -7.551 13.962 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.484 -8.942 13.156 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.092 -9.879 15.460 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.914 -7.933 14.591 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.791 -8.340 16.070 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.230 -10.395 17.351 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.843 -9.726 17.623 1.00 0.00 H new ATOM 479 N SER A 28 1.280 -12.998 11.862 1.00 0.00 N ATOM 480 CA SER A 28 1.284 -14.453 11.747 1.00 0.00 C ATOM 481 C SER A 28 1.326 -15.092 13.129 1.00 0.00 C ATOM 482 O SER A 28 2.299 -15.754 13.493 1.00 0.00 O ATOM 483 CB SER A 28 2.474 -14.927 10.907 1.00 0.00 C ATOM 484 OG SER A 28 2.430 -14.376 9.603 1.00 0.00 O ATOM 0 H SER A 28 0.415 -12.553 11.556 1.00 0.00 H new ATOM 0 HA SER A 28 0.366 -14.760 11.246 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.405 -14.639 11.395 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.469 -16.015 10.846 1.00 0.00 H new ATOM 0 HG SER A 28 3.201 -14.693 9.088 1.00 0.00 H new ATOM 490 N TYR A 29 0.262 -14.885 13.894 1.00 0.00 N ATOM 491 CA TYR A 29 0.168 -15.436 15.242 1.00 0.00 C ATOM 492 C TYR A 29 -1.014 -16.393 15.358 1.00 0.00 C ATOM 493 O TYR A 29 -1.947 -16.155 16.126 1.00 0.00 O ATOM 494 CB TYR A 29 0.034 -14.318 16.284 1.00 0.00 C ATOM 495 CG TYR A 29 -1.211 -13.469 16.131 1.00 0.00 C ATOM 496 CD1 TYR A 29 -1.412 -12.679 15.005 1.00 0.00 C ATOM 497 CD2 TYR A 29 -2.191 -13.468 17.116 1.00 0.00 C ATOM 498 CE1 TYR A 29 -2.553 -11.911 14.866 1.00 0.00 C ATOM 499 CE2 TYR A 29 -3.335 -12.702 16.984 1.00 0.00 C ATOM 500 CZ TYR A 29 -3.511 -11.927 15.859 1.00 0.00 C ATOM 501 OH TYR A 29 -4.648 -11.164 15.723 1.00 0.00 O ATOM 0 H TYR A 29 -0.550 -14.339 13.605 1.00 0.00 H new ATOM 0 HA TYR A 29 1.088 -15.988 15.436 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.036 -14.763 17.279 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.910 -13.672 16.221 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.664 -12.665 14.226 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.057 -14.075 17.999 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.694 -11.302 13.985 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.087 -12.711 17.759 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.221 -11.289 16.508 1.00 0.00 H new ATOM 511 N GLN A 30 -0.967 -17.475 14.588 1.00 0.00 N ATOM 512 CA GLN A 30 -2.033 -18.472 14.600 1.00 0.00 C ATOM 513 C GLN A 30 -1.732 -19.606 13.625 1.00 0.00 C ATOM 514 O GLN A 30 -2.614 -20.068 12.901 1.00 0.00 O ATOM 515 CB GLN A 30 -3.368 -17.819 14.254 1.00 0.00 C ATOM 516 CG GLN A 30 -3.356 -17.097 12.923 1.00 0.00 C ATOM 517 CD GLN A 30 -4.658 -16.382 12.646 1.00 0.00 C ATOM 518 OE1 GLN A 30 -5.710 -17.005 12.502 1.00 0.00 O ATOM 519 NE2 GLN A 30 -4.594 -15.060 12.604 1.00 0.00 N ATOM 0 H GLN A 30 -0.202 -17.685 13.947 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.094 -18.894 15.603 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.145 -18.584 14.237 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.633 -17.112 15.040 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.539 -16.376 12.911 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.161 -17.814 12.125 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.698 -14.589 12.729 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.441 -14.513 12.447 1.00 0.00 H new ATOM 528 N TYR A 31 -0.480 -20.049 13.613 1.00 0.00 N ATOM 529 CA TYR A 31 -0.056 -21.128 12.729 1.00 0.00 C ATOM 530 C TYR A 31 0.295 -22.380 13.525 1.00 0.00 C ATOM 531 O TYR A 31 0.416 -23.459 12.905 1.00 0.00 O ATOM 532 CB TYR A 31 1.141 -20.679 11.885 1.00 0.00 C ATOM 533 CG TYR A 31 2.337 -20.231 12.700 1.00 0.00 C ATOM 534 CD1 TYR A 31 3.004 -21.110 13.547 1.00 0.00 C ATOM 535 CD2 TYR A 31 2.793 -18.921 12.625 1.00 0.00 C ATOM 536 CE1 TYR A 31 4.092 -20.694 14.292 1.00 0.00 C ATOM 537 CE2 TYR A 31 3.880 -18.499 13.367 1.00 0.00 C ATOM 538 CZ TYR A 31 4.526 -19.389 14.199 1.00 0.00 C ATOM 539 OH TYR A 31 5.607 -18.974 14.940 1.00 0.00 O ATOM 540 OXT TYR A 31 0.448 -22.273 14.760 1.00 0.00 O ATOM 0 H TYR A 31 0.261 -19.676 14.207 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.885 -21.372 12.065 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.444 -21.501 11.236 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.829 -19.860 11.237 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.667 -22.133 13.624 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.289 -18.220 11.976 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.600 -21.389 14.944 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.222 -17.477 13.296 1.00 0.00 H new ATOM 0 HH TYR A 31 5.784 -18.027 14.758 1.00 0.00 H new TER 550 TYR A 31