Browse entries in the PDBbind-CN Database
HEADER 2K0X_COMPLEX COMPND 2K0X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 MET ALA THR LEU LEU THR THR ASP ASP LEU ARG ARG ALA SEQRES 2 A 86 LEU VAL GLU SER ALA GLY GLU THR ASP GLY THR ASP LEU SEQRES 3 A 86 SER GLY ASP PHE LEU ASP LEU ARG PHE GLU ASP ILE GLY SEQRES 4 A 86 TYR ASP SER LEU ALA LEU MET GLU THR ALA ALA ARG LEU SEQRES 5 A 86 GLU SER ARG TYR GLY VAL SER ILE PRO ASP ASP VAL ALA SEQRES 6 A 86 GLY ARG VAL ASP THR PRO ARG GLU LEU LEU ASP LEU ILE SEQRES 7 A 86 ASN GLY ALA LEU ALA GLU ALA ALA HET PNS A 87 43 ATOM 1 N MET A 1 20.120 5.621 2.159 1.00 2.24 N ATOM 2 CA MET A 1 19.047 6.158 1.323 1.00 1.76 C ATOM 3 C MET A 1 17.754 5.409 1.593 1.00 1.40 C ATOM 4 O MET A 1 17.687 4.191 1.414 1.00 1.79 O ATOM 5 CB MET A 1 19.421 6.125 -0.190 1.00 2.58 C ATOM 6 CG MET A 1 19.698 4.745 -0.779 1.00 3.31 C ATOM 7 SD MET A 1 20.187 4.805 -2.518 1.00 4.53 S ATOM 8 CE MET A 1 20.339 3.050 -2.874 1.00 5.31 C ATOM 9 HA MET A 1 18.902 7.206 1.586 1.00 0.00 H ATOM 10 HB2 MET A 1 18.595 6.567 -0.748 1.00 0.00 H ATOM 11 HB3 MET A 1 20.316 6.732 -0.326 1.00 0.00 H ATOM 12 HG2 MET A 1 18.794 4.142 -0.693 1.00 0.00 H ATOM 13 HG3 MET A 1 20.500 4.278 -0.208 1.00 0.00 H ATOM 14 HE1 MET A 1 21.093 2.612 -2.220 1.00 0.00 H ATOM 15 HE2 MET A 1 19.380 2.562 -2.703 1.00 0.00 H ATOM 16 HE3 MET A 1 20.636 2.916 -3.914 1.00 0.00 H ATOM 17 HN3 MET A 1 20.256 4.613 1.941 1.00 0.00 H ATOM 18 HN2 MET A 1 19.864 5.729 3.161 1.00 0.00 H ATOM 19 HN1 MET A 1 21.000 6.140 1.967 1.00 0.00 H ATOM 20 N ALA A 2 16.764 6.110 2.102 1.00 1.20 N ATOM 21 CA ALA A 2 15.471 5.523 2.371 1.00 1.09 C ATOM 22 C ALA A 2 14.392 6.586 2.415 1.00 0.88 C ATOM 23 O ALA A 2 14.050 7.096 3.489 1.00 1.05 O ATOM 24 CB ALA A 2 15.472 4.709 3.668 1.00 1.46 C ATOM 25 HA ALA A 2 15.253 4.838 1.551 1.00 0.00 H ATOM 26 HB1 ALA A 2 16.203 3.904 3.590 1.00 0.00 H ATOM 27 HB2 ALA A 2 15.733 5.359 4.503 1.00 0.00 H ATOM 28 HB3 ALA A 2 14.481 4.286 3.831 1.00 0.00 H ATOM 29 H ALA A 2 16.916 7.116 2.317 1.00 0.00 H ATOM 30 N THR A 3 13.909 6.980 1.272 1.00 0.78 N ATOM 31 CA THR A 3 12.822 7.920 1.219 1.00 0.73 C ATOM 32 C THR A 3 11.518 7.146 1.509 1.00 0.60 C ATOM 33 O THR A 3 11.061 6.322 0.728 1.00 0.63 O ATOM 34 CB THR A 3 12.792 8.690 -0.157 1.00 0.93 C ATOM 35 OG1 THR A 3 11.705 9.632 -0.202 1.00 1.58 O ATOM 36 CG2 THR A 3 12.727 7.752 -1.366 1.00 1.70 C ATOM 37 HA THR A 3 12.948 8.697 1.974 1.00 0.00 H ATOM 38 HB THR A 3 13.736 9.231 -0.220 1.00 0.00 H ATOM 39 HG1 THR A 3 11.711 10.099 -1.075 1.00 0.00 H ATOM 40 HG23 THR A 3 13.555 7.044 -1.320 1.00 0.00 H ATOM 41 HG21 THR A 3 11.782 7.209 -1.353 1.00 0.00 H ATOM 42 HG22 THR A 3 12.798 8.337 -2.283 1.00 0.00 H ATOM 43 H THR A 3 14.314 6.611 0.388 1.00 0.00 H ATOM 44 N LEU A 4 10.982 7.352 2.681 1.00 0.58 N ATOM 45 CA LEU A 4 9.840 6.597 3.116 1.00 0.51 C ATOM 46 C LEU A 4 8.553 7.297 2.743 1.00 0.47 C ATOM 47 O LEU A 4 8.379 8.485 3.021 1.00 0.64 O ATOM 48 CB LEU A 4 9.896 6.370 4.631 1.00 0.62 C ATOM 49 CG LEU A 4 11.154 5.675 5.169 1.00 0.62 C ATOM 50 CD1 LEU A 4 11.082 5.542 6.678 1.00 1.02 C ATOM 51 CD2 LEU A 4 11.344 4.310 4.524 1.00 0.80 C ATOM 52 HA LEU A 4 9.863 5.631 2.612 1.00 0.00 H ATOM 53 HB2 LEU A 4 9.821 7.343 5.116 1.00 0.00 H ATOM 54 HB3 LEU A 4 9.036 5.761 4.908 1.00 0.00 H ATOM 55 HG LEU A 4 12.015 6.292 4.913 1.00 0.00 H ATOM 56 HD21 LEU A 4 10.479 3.683 4.741 1.00 0.00 H ATOM 57 HD22 LEU A 4 11.446 4.430 3.445 1.00 0.00 H ATOM 58 HD23 LEU A 4 12.243 3.842 4.925 1.00 0.00 H ATOM 59 HD11 LEU A 4 11.005 6.533 7.126 1.00 0.00 H ATOM 60 HD12 LEU A 4 10.207 4.951 6.948 1.00 0.00 H ATOM 61 HD13 LEU A 4 11.983 5.047 7.041 1.00 0.00 H ATOM 62 H LEU A 4 11.388 8.074 3.310 1.00 0.00 H ATOM 63 N LEU A 5 7.669 6.582 2.089 1.00 0.43 N ATOM 64 CA LEU A 5 6.366 7.130 1.773 1.00 0.44 C ATOM 65 C LEU A 5 5.582 7.284 3.067 1.00 0.38 C ATOM 66 O LEU A 5 5.696 6.441 3.984 1.00 0.45 O ATOM 67 CB LEU A 5 5.576 6.266 0.758 1.00 0.67 C ATOM 68 CG LEU A 5 4.930 4.955 1.242 1.00 0.54 C ATOM 69 CD1 LEU A 5 4.100 4.348 0.142 1.00 1.05 C ATOM 70 CD2 LEU A 5 5.958 3.959 1.716 1.00 1.37 C ATOM 71 HA LEU A 5 6.512 8.098 1.293 1.00 0.00 H ATOM 72 HB2 LEU A 5 4.775 6.890 0.361 1.00 0.00 H ATOM 73 HB3 LEU A 5 6.265 6.006 -0.046 1.00 0.00 H ATOM 74 HG LEU A 5 4.291 5.201 2.090 1.00 0.00 H ATOM 75 HD21 LEU A 5 6.637 3.722 0.897 1.00 0.00 H ATOM 76 HD22 LEU A 5 6.522 4.387 2.545 1.00 0.00 H ATOM 77 HD23 LEU A 5 5.456 3.050 2.048 1.00 0.00 H ATOM 78 HD11 LEU A 5 3.316 5.047 -0.148 1.00 0.00 H ATOM 79 HD12 LEU A 5 4.736 4.137 -0.717 1.00 0.00 H ATOM 80 HD13 LEU A 5 3.649 3.422 0.498 1.00 0.00 H ATOM 81 H LEU A 5 7.906 5.613 1.795 1.00 0.00 H ATOM 82 N THR A 6 4.847 8.336 3.161 1.00 0.41 N ATOM 83 CA THR A 6 4.113 8.640 4.344 1.00 0.48 C ATOM 84 C THR A 6 2.660 8.167 4.225 1.00 0.39 C ATOM 85 O THR A 6 2.304 7.462 3.252 1.00 0.36 O ATOM 86 CB THR A 6 4.166 10.157 4.636 1.00 0.66 C ATOM 87 OG1 THR A 6 3.587 10.897 3.535 1.00 0.72 O ATOM 88 CG2 THR A 6 5.604 10.615 4.848 1.00 0.88 C ATOM 89 HA THR A 6 4.574 8.108 5.176 1.00 0.00 H ATOM 90 HB THR A 6 3.595 10.347 5.545 1.00 0.00 H ATOM 91 HG1 THR A 6 4.096 10.707 2.707 1.00 0.00 H ATOM 92 HG23 THR A 6 6.043 10.059 5.677 1.00 0.00 H ATOM 93 HG21 THR A 6 6.180 10.432 3.941 1.00 0.00 H ATOM 94 HG22 THR A 6 5.615 11.681 5.077 1.00 0.00 H ATOM 95 H THR A 6 4.787 8.984 2.349 1.00 0.00 H ATOM 96 N THR A 7 1.834 8.568 5.182 1.00 0.44 N ATOM 97 CA THR A 7 0.418 8.268 5.193 1.00 0.44 C ATOM 98 C THR A 7 -0.213 8.808 3.904 1.00 0.40 C ATOM 99 O THR A 7 -0.859 8.075 3.149 1.00 0.39 O ATOM 100 CB THR A 7 -0.220 8.990 6.395 1.00 0.56 C ATOM 101 OG1 THR A 7 0.538 8.705 7.582 1.00 0.70 O ATOM 102 CG2 THR A 7 -1.658 8.542 6.595 1.00 0.66 C ATOM 103 HA THR A 7 0.258 7.192 5.264 1.00 0.00 H ATOM 104 HB THR A 7 -0.215 10.062 6.197 1.00 0.00 H ATOM 105 HG1 THR A 7 0.127 9.169 8.354 1.00 0.00 H ATOM 106 HG23 THR A 7 -2.233 8.758 5.695 1.00 0.00 H ATOM 107 HG21 THR A 7 -1.679 7.470 6.793 1.00 0.00 H ATOM 108 HG22 THR A 7 -2.090 9.077 7.441 1.00 0.00 H ATOM 109 H THR A 7 2.225 9.128 5.967 1.00 0.00 H ATOM 110 N ASP A 8 0.013 10.093 3.666 1.00 0.50 N ATOM 111 CA ASP A 8 -0.500 10.807 2.497 1.00 0.56 C ATOM 112 C ASP A 8 -0.095 10.154 1.191 1.00 0.49 C ATOM 113 O ASP A 8 -0.911 10.040 0.271 1.00 0.48 O ATOM 114 CB ASP A 8 -0.009 12.245 2.504 1.00 0.77 C ATOM 115 CG ASP A 8 -0.307 12.963 1.214 1.00 1.44 C ATOM 116 OD1 ASP A 8 -1.449 13.395 1.013 1.00 1.69 O ATOM 117 OD2 ASP A 8 0.614 13.120 0.376 1.00 2.29 O ATOM 118 HA ASP A 8 -1.587 10.775 2.564 1.00 0.00 H ATOM 119 HB2 ASP A 8 -0.496 12.777 3.321 1.00 0.00 H ATOM 120 HB3 ASP A 8 1.069 12.246 2.664 1.00 0.00 H ATOM 121 H ASP A 8 0.589 10.624 4.350 1.00 0.00 H ATOM 122 N ASP A 9 1.149 9.714 1.123 1.00 0.49 N ATOM 123 CA ASP A 9 1.677 9.099 -0.097 1.00 0.51 C ATOM 124 C ASP A 9 0.952 7.822 -0.393 1.00 0.43 C ATOM 125 O ASP A 9 0.500 7.605 -1.523 1.00 0.48 O ATOM 126 CB ASP A 9 3.171 8.816 -0.005 1.00 0.60 C ATOM 127 CG ASP A 9 3.999 10.049 0.171 1.00 1.12 C ATOM 128 OD1 ASP A 9 3.990 10.925 -0.712 1.00 1.35 O ATOM 129 OD2 ASP A 9 4.643 10.192 1.230 1.00 1.83 O ATOM 130 HA ASP A 9 1.519 9.815 -0.903 1.00 0.00 H ATOM 131 HB2 ASP A 9 3.347 8.157 0.845 1.00 0.00 H ATOM 132 HB3 ASP A 9 3.485 8.316 -0.921 1.00 0.00 H ATOM 133 H ASP A 9 1.767 9.806 1.954 1.00 0.00 H ATOM 134 N LEU A 10 0.812 6.984 0.630 1.00 0.36 N ATOM 135 CA LEU A 10 0.101 5.731 0.489 1.00 0.34 C ATOM 136 C LEU A 10 -1.345 6.015 0.114 1.00 0.32 C ATOM 137 O LEU A 10 -1.871 5.411 -0.800 1.00 0.37 O ATOM 138 CB LEU A 10 0.152 4.912 1.787 1.00 0.36 C ATOM 139 CG LEU A 10 -0.466 3.507 1.711 1.00 0.43 C ATOM 140 CD1 LEU A 10 0.338 2.614 0.782 1.00 0.67 C ATOM 141 CD2 LEU A 10 -0.584 2.892 3.093 1.00 0.75 C ATOM 142 HA LEU A 10 0.582 5.146 -0.295 1.00 0.00 H ATOM 143 HB2 LEU A 10 1.198 4.803 2.074 1.00 0.00 H ATOM 144 HB3 LEU A 10 -0.379 5.471 2.557 1.00 0.00 H ATOM 145 HG LEU A 10 -1.471 3.600 1.300 1.00 0.00 H ATOM 146 HD21 LEU A 10 0.407 2.816 3.541 1.00 0.00 H ATOM 147 HD22 LEU A 10 -1.219 3.522 3.716 1.00 0.00 H ATOM 148 HD23 LEU A 10 -1.024 1.898 3.011 1.00 0.00 H ATOM 149 HD11 LEU A 10 0.349 3.048 -0.218 1.00 0.00 H ATOM 150 HD12 LEU A 10 1.359 2.530 1.154 1.00 0.00 H ATOM 151 HD13 LEU A 10 -0.119 1.625 0.745 1.00 0.00 H ATOM 152 H LEU A 10 1.223 7.234 1.552 1.00 0.00 H ATOM 153 N ARG A 11 -1.944 6.982 0.808 1.00 0.30 N ATOM 154 CA ARG A 11 -3.324 7.413 0.578 1.00 0.32 C ATOM 155 C ARG A 11 -3.564 7.750 -0.889 1.00 0.35 C ATOM 156 O ARG A 11 -4.388 7.119 -1.548 1.00 0.36 O ATOM 157 CB ARG A 11 -3.640 8.654 1.418 1.00 0.39 C ATOM 158 CG ARG A 11 -5.040 9.200 1.189 1.00 0.50 C ATOM 159 CD ARG A 11 -5.239 10.555 1.844 1.00 0.64 C ATOM 160 NE ARG A 11 -4.353 11.594 1.273 1.00 1.39 N ATOM 161 CZ ARG A 11 -4.779 12.641 0.534 1.00 1.86 C ATOM 162 NH1 ARG A 11 -6.033 12.694 0.122 1.00 1.90 N ATOM 163 NH2 ARG A 11 -3.917 13.581 0.164 1.00 2.88 N ATOM 164 HA ARG A 11 -3.973 6.586 0.866 1.00 0.00 H ATOM 165 HB2 ARG A 11 -3.539 8.393 2.471 1.00 0.00 H ATOM 166 HB3 ARG A 11 -2.920 9.433 1.167 1.00 0.00 H ATOM 167 HG2 ARG A 11 -5.208 9.300 0.117 1.00 0.00 H ATOM 168 HG3 ARG A 11 -5.763 8.499 1.605 1.00 0.00 H ATOM 169 HD2 ARG A 11 -5.029 10.463 2.910 1.00 0.00 H ATOM 170 HD3 ARG A 11 -6.275 10.863 1.704 1.00 0.00 H ATOM 171 HE ARG A 11 -3.332 11.512 1.453 1.00 0.00 H ATOM 172 HH12 ARG A 11 -6.360 13.501 -0.447 1.00 0.00 H ATOM 173 HH11 ARG A 11 -6.694 11.929 0.367 1.00 0.00 H ATOM 174 HH22 ARG A 11 -4.241 14.389 -0.405 1.00 0.00 H ATOM 175 HH21 ARG A 11 -2.918 13.509 0.443 1.00 0.00 H ATOM 176 H ARG A 11 -1.400 7.458 1.556 1.00 0.00 H ATOM 177 N ARG A 12 -2.809 8.723 -1.395 1.00 0.40 N ATOM 178 CA ARG A 12 -2.986 9.203 -2.758 1.00 0.47 C ATOM 179 C ARG A 12 -2.771 8.109 -3.775 1.00 0.48 C ATOM 180 O ARG A 12 -3.555 7.963 -4.715 1.00 0.54 O ATOM 181 CB ARG A 12 -2.089 10.401 -3.048 1.00 0.60 C ATOM 182 CG ARG A 12 -2.487 11.651 -2.288 1.00 1.20 C ATOM 183 CD ARG A 12 -1.618 12.835 -2.664 1.00 1.30 C ATOM 184 NE ARG A 12 -0.241 12.714 -2.171 1.00 1.99 N ATOM 185 CZ ARG A 12 0.851 12.726 -2.934 1.00 2.49 C ATOM 186 NH1 ARG A 12 0.748 12.599 -4.251 1.00 2.42 N ATOM 187 NH2 ARG A 12 2.047 12.806 -2.368 1.00 3.46 N ATOM 188 HA ARG A 12 -4.022 9.530 -2.846 1.00 0.00 H ATOM 189 HB2 ARG A 12 -1.066 10.141 -2.774 1.00 0.00 H ATOM 190 HB3 ARG A 12 -2.135 10.616 -4.116 1.00 0.00 H ATOM 191 HG2 ARG A 12 -3.526 11.888 -2.516 1.00 0.00 H ATOM 192 HG3 ARG A 12 -2.385 11.463 -1.219 1.00 0.00 H ATOM 193 HD2 ARG A 12 -2.060 13.738 -2.243 1.00 0.00 H ATOM 194 HD3 ARG A 12 -1.592 12.917 -3.751 1.00 0.00 H ATOM 195 HE ARG A 12 -0.107 12.611 -1.145 1.00 0.00 H ATOM 196 HH12 ARG A 12 1.603 12.609 -4.843 1.00 0.00 H ATOM 197 HH11 ARG A 12 -0.188 12.490 -4.691 1.00 0.00 H ATOM 198 HH22 ARG A 12 2.903 12.816 -2.959 1.00 0.00 H ATOM 199 HH21 ARG A 12 2.130 12.859 -1.333 1.00 0.00 H ATOM 200 H ARG A 12 -2.072 9.152 -0.800 1.00 0.00 H ATOM 201 N ALA A 13 -1.744 7.317 -3.566 1.00 0.47 N ATOM 202 CA ALA A 13 -1.441 6.228 -4.461 1.00 0.53 C ATOM 203 C ALA A 13 -2.549 5.174 -4.434 1.00 0.50 C ATOM 204 O ALA A 13 -3.013 4.725 -5.471 1.00 0.63 O ATOM 205 CB ALA A 13 -0.100 5.606 -4.106 1.00 0.58 C ATOM 206 HA ALA A 13 -1.380 6.626 -5.474 1.00 0.00 H ATOM 207 HB1 ALA A 13 0.682 6.361 -4.188 1.00 0.00 H ATOM 208 HB2 ALA A 13 -0.136 5.227 -3.085 1.00 0.00 H ATOM 209 HB3 ALA A 13 0.112 4.786 -4.792 1.00 0.00 H ATOM 210 H ALA A 13 -1.137 7.479 -2.737 1.00 0.00 H ATOM 211 N LEU A 14 -3.000 4.829 -3.250 1.00 0.41 N ATOM 212 CA LEU A 14 -3.997 3.789 -3.069 1.00 0.41 C ATOM 213 C LEU A 14 -5.365 4.205 -3.638 1.00 0.47 C ATOM 214 O LEU A 14 -6.129 3.368 -4.097 1.00 0.62 O ATOM 215 CB LEU A 14 -4.083 3.407 -1.596 1.00 0.39 C ATOM 216 CG LEU A 14 -4.978 2.219 -1.234 1.00 0.45 C ATOM 217 CD1 LEU A 14 -4.420 0.925 -1.806 1.00 0.50 C ATOM 218 CD2 LEU A 14 -5.144 2.118 0.272 1.00 0.50 C ATOM 219 HA LEU A 14 -3.688 2.909 -3.633 1.00 0.00 H ATOM 220 HB2 LEU A 14 -3.074 3.173 -1.258 1.00 0.00 H ATOM 221 HB3 LEU A 14 -4.454 4.276 -1.052 1.00 0.00 H ATOM 222 HG LEU A 14 -5.960 2.384 -1.676 1.00 0.00 H ATOM 223 HD21 LEU A 14 -4.167 1.980 0.736 1.00 0.00 H ATOM 224 HD22 LEU A 14 -5.600 3.034 0.648 1.00 0.00 H ATOM 225 HD23 LEU A 14 -5.783 1.268 0.510 1.00 0.00 H ATOM 226 HD11 LEU A 14 -4.363 1.004 -2.892 1.00 0.00 H ATOM 227 HD12 LEU A 14 -3.423 0.750 -1.401 1.00 0.00 H ATOM 228 HD13 LEU A 14 -5.075 0.097 -1.534 1.00 0.00 H ATOM 229 H LEU A 14 -2.629 5.319 -2.411 1.00 0.00 H ATOM 230 N VAL A 15 -5.665 5.485 -3.614 1.00 0.42 N ATOM 231 CA VAL A 15 -6.890 5.978 -4.247 1.00 0.49 C ATOM 232 C VAL A 15 -6.721 5.930 -5.774 1.00 0.51 C ATOM 233 O VAL A 15 -7.638 5.563 -6.510 1.00 0.60 O ATOM 234 CB VAL A 15 -7.243 7.428 -3.788 1.00 0.58 C ATOM 235 CG1 VAL A 15 -8.474 7.961 -4.516 1.00 0.74 C ATOM 236 CG2 VAL A 15 -7.489 7.459 -2.290 1.00 0.63 C ATOM 237 HA VAL A 15 -7.715 5.335 -3.941 1.00 0.00 H ATOM 238 HB VAL A 15 -6.395 8.067 -4.034 1.00 0.00 H ATOM 239 HG11 VAL A 15 -8.282 7.975 -5.589 1.00 0.00 H ATOM 240 HG12 VAL A 15 -9.327 7.315 -4.306 1.00 0.00 H ATOM 241 HG13 VAL A 15 -8.689 8.972 -4.171 1.00 0.00 H ATOM 242 HG21 VAL A 15 -8.318 6.795 -2.045 1.00 0.00 H ATOM 243 HG22 VAL A 15 -6.591 7.128 -1.769 1.00 0.00 H ATOM 244 HG23 VAL A 15 -7.734 8.476 -1.984 1.00 0.00 H ATOM 245 H VAL A 15 -5.025 6.154 -3.140 1.00 0.00 H ATOM 246 N GLU A 16 -5.522 6.242 -6.217 1.00 0.53 N ATOM 247 CA GLU A 16 -5.161 6.274 -7.629 1.00 0.63 C ATOM 248 C GLU A 16 -5.345 4.888 -8.292 1.00 0.70 C ATOM 249 O GLU A 16 -5.771 4.791 -9.456 1.00 0.83 O ATOM 250 CB GLU A 16 -3.715 6.764 -7.757 1.00 0.77 C ATOM 251 CG GLU A 16 -3.213 6.963 -9.167 1.00 1.20 C ATOM 252 CD GLU A 16 -1.816 7.516 -9.183 1.00 1.52 C ATOM 253 OE1 GLU A 16 -1.625 8.690 -8.793 1.00 2.04 O ATOM 254 OE2 GLU A 16 -0.881 6.806 -9.611 1.00 2.01 O ATOM 255 HA GLU A 16 -5.825 6.961 -8.154 1.00 0.00 H ATOM 256 HB2 GLU A 16 -3.637 7.718 -7.236 1.00 0.00 H ATOM 257 HB3 GLU A 16 -3.069 6.032 -7.271 1.00 0.00 H ATOM 258 HG2 GLU A 16 -3.220 6.004 -9.684 1.00 0.00 H ATOM 259 HG3 GLU A 16 -3.875 7.658 -9.684 1.00 0.00 H ATOM 260 H GLU A 16 -4.789 6.480 -5.519 1.00 0.00 H ATOM 261 N SER A 17 -5.068 3.825 -7.551 1.00 0.70 N ATOM 262 CA SER A 17 -5.227 2.474 -8.069 1.00 0.87 C ATOM 263 C SER A 17 -6.677 1.986 -8.047 1.00 0.95 C ATOM 264 O SER A 17 -6.982 0.888 -8.521 1.00 1.20 O ATOM 265 CB SER A 17 -4.282 1.513 -7.361 1.00 0.87 C ATOM 266 OG SER A 17 -4.180 1.829 -5.985 1.00 1.30 O ATOM 267 HA SER A 17 -4.952 2.502 -9.123 1.00 0.00 H ATOM 268 HB2 SER A 17 -3.295 1.581 -7.818 1.00 0.00 H ATOM 269 HB3 SER A 17 -4.660 0.496 -7.467 1.00 0.00 H ATOM 270 HG SER A 17 -5.074 1.764 -5.566 1.00 0.00 H ATOM 271 H SER A 17 -4.729 3.959 -6.577 1.00 0.00 H ATOM 272 N ALA A 18 -7.574 2.792 -7.513 1.00 0.91 N ATOM 273 CA ALA A 18 -8.986 2.454 -7.527 1.00 1.10 C ATOM 274 C ALA A 18 -9.584 2.889 -8.848 1.00 1.37 C ATOM 275 O ALA A 18 -10.707 2.526 -9.199 1.00 1.93 O ATOM 276 CB ALA A 18 -9.711 3.123 -6.375 1.00 1.32 C ATOM 277 HA ALA A 18 -9.098 1.376 -7.411 1.00 0.00 H ATOM 278 HB1 ALA A 18 -9.278 2.789 -5.432 1.00 0.00 H ATOM 279 HB2 ALA A 18 -9.607 4.205 -6.461 1.00 0.00 H ATOM 280 HB3 ALA A 18 -10.767 2.855 -6.407 1.00 0.00 H ATOM 281 H ALA A 18 -7.265 3.683 -7.075 1.00 0.00 H ATOM 282 N GLY A 19 -8.813 3.665 -9.576 1.00 1.34 N ATOM 283 CA GLY A 19 -9.244 4.170 -10.828 1.00 1.71 C ATOM 284 C GLY A 19 -9.557 5.622 -10.703 1.00 1.86 C ATOM 285 O GLY A 19 -8.649 6.454 -10.592 1.00 2.29 O ATOM 286 HA3 GLY A 19 -10.137 3.633 -11.148 1.00 0.00 H ATOM 287 HA2 GLY A 19 -8.454 4.031 -11.566 1.00 0.00 H ATOM 288 H GLY A 19 -7.866 3.914 -9.226 1.00 0.00 H ATOM 289 N GLU A 20 -10.820 5.927 -10.651 1.00 2.32 N ATOM 290 CA GLU A 20 -11.265 7.284 -10.515 1.00 2.96 C ATOM 291 C GLU A 20 -11.182 7.705 -9.073 1.00 3.25 C ATOM 292 O GLU A 20 -11.255 6.864 -8.157 1.00 3.62 O ATOM 293 CB GLU A 20 -12.695 7.441 -11.005 1.00 3.80 C ATOM 294 CG GLU A 20 -12.876 7.180 -12.476 1.00 4.15 C ATOM 295 CD GLU A 20 -14.295 7.369 -12.902 1.00 4.90 C ATOM 296 OE1 GLU A 20 -14.761 8.517 -12.969 1.00 5.38 O ATOM 297 OE2 GLU A 20 -14.988 6.364 -13.147 1.00 5.29 O ATOM 298 HA GLU A 20 -10.618 7.916 -11.123 1.00 0.00 H ATOM 299 HB2 GLU A 20 -13.324 6.742 -10.454 1.00 0.00 H ATOM 300 HB3 GLU A 20 -13.018 8.461 -10.796 1.00 0.00 H ATOM 301 HG2 GLU A 20 -12.244 7.868 -13.037 1.00 0.00 H ATOM 302 HG3 GLU A 20 -12.576 6.155 -12.692 1.00 0.00 H ATOM 303 H GLU A 20 -11.527 5.166 -10.710 1.00 0.00 H ATOM 304 N THR A 21 -11.045 8.979 -8.858 1.00 3.60 N ATOM 305 CA THR A 21 -10.952 9.517 -7.542 1.00 4.23 C ATOM 306 C THR A 21 -12.340 9.582 -6.919 1.00 3.84 C ATOM 307 O THR A 21 -13.068 10.562 -7.067 1.00 4.28 O ATOM 308 CB THR A 21 -10.359 10.916 -7.579 1.00 5.33 C ATOM 309 OG1 THR A 21 -9.129 10.901 -8.342 1.00 5.74 O ATOM 310 CG2 THR A 21 -10.073 11.422 -6.167 1.00 6.11 C ATOM 311 HA THR A 21 -10.305 8.871 -6.948 1.00 0.00 H ATOM 312 HB THR A 21 -11.080 11.584 -8.049 1.00 0.00 H ATOM 313 HG1 THR A 21 -8.745 11.813 -8.365 1.00 0.00 H ATOM 314 HG23 THR A 21 -10.999 11.433 -5.592 1.00 0.00 H ATOM 315 HG21 THR A 21 -9.352 10.761 -5.685 1.00 0.00 H ATOM 316 HG22 THR A 21 -9.664 12.431 -6.220 1.00 0.00 H ATOM 317 H THR A 21 -11.002 9.626 -9.671 1.00 0.00 H ATOM 318 N ASP A 22 -12.742 8.484 -6.384 1.00 3.43 N ATOM 319 CA ASP A 22 -13.977 8.404 -5.631 1.00 3.43 C ATOM 320 C ASP A 22 -13.767 9.122 -4.325 1.00 3.11 C ATOM 321 O ASP A 22 -14.451 10.092 -4.002 1.00 3.69 O ATOM 322 CB ASP A 22 -14.378 6.948 -5.373 1.00 3.93 C ATOM 323 CG ASP A 22 -15.601 6.842 -4.490 1.00 4.53 C ATOM 324 OD1 ASP A 22 -16.726 7.015 -4.990 1.00 5.17 O ATOM 325 OD2 ASP A 22 -15.456 6.587 -3.284 1.00 4.69 O ATOM 326 HA ASP A 22 -14.783 8.866 -6.201 1.00 0.00 H ATOM 327 HB2 ASP A 22 -14.591 6.467 -6.328 1.00 0.00 H ATOM 328 HB3 ASP A 22 -13.548 6.435 -4.887 1.00 0.00 H ATOM 329 H ASP A 22 -12.163 7.627 -6.495 1.00 0.00 H ATOM 330 N GLY A 23 -12.780 8.681 -3.607 1.00 2.73 N ATOM 331 CA GLY A 23 -12.440 9.316 -2.384 1.00 2.86 C ATOM 332 C GLY A 23 -12.780 8.482 -1.208 1.00 2.43 C ATOM 333 O GLY A 23 -13.615 8.852 -0.371 1.00 3.06 O ATOM 334 HA3 GLY A 23 -12.982 10.259 -2.315 1.00 0.00 H ATOM 335 HA2 GLY A 23 -11.368 9.514 -2.377 1.00 0.00 H ATOM 336 H GLY A 23 -12.234 7.857 -3.930 1.00 0.00 H ATOM 337 N THR A 24 -12.207 7.328 -1.179 1.00 1.86 N ATOM 338 CA THR A 24 -12.263 6.483 -0.042 1.00 1.62 C ATOM 339 C THR A 24 -11.346 7.150 0.971 1.00 1.71 C ATOM 340 O THR A 24 -10.146 7.223 0.740 1.00 2.45 O ATOM 341 CB THR A 24 -11.698 5.105 -0.434 1.00 1.89 C ATOM 342 OG1 THR A 24 -12.364 4.652 -1.634 1.00 2.78 O ATOM 343 CG2 THR A 24 -11.918 4.088 0.681 1.00 1.86 C ATOM 344 HA THR A 24 -13.271 6.343 0.348 1.00 0.00 H ATOM 345 HB THR A 24 -10.626 5.199 -0.605 1.00 0.00 H ATOM 346 HG1 THR A 24 -12.007 3.766 -1.894 1.00 0.00 H ATOM 347 HG23 THR A 24 -11.416 4.429 1.586 1.00 0.00 H ATOM 348 HG21 THR A 24 -12.986 3.986 0.873 1.00 0.00 H ATOM 349 HG22 THR A 24 -11.509 3.124 0.378 1.00 0.00 H ATOM 350 H THR A 24 -11.685 7.005 -2.019 1.00 0.00 H ATOM 351 N ASP A 25 -11.925 7.772 1.988 1.00 1.42 N ATOM 352 CA ASP A 25 -11.146 8.502 2.981 1.00 1.72 C ATOM 353 C ASP A 25 -10.152 7.621 3.692 1.00 1.53 C ATOM 354 O ASP A 25 -10.489 6.717 4.442 1.00 2.31 O ATOM 355 CB ASP A 25 -12.010 9.332 3.951 1.00 2.23 C ATOM 356 CG ASP A 25 -13.125 8.559 4.602 1.00 2.37 C ATOM 357 OD1 ASP A 25 -14.203 8.389 3.992 1.00 2.90 O ATOM 358 OD2 ASP A 25 -12.917 8.067 5.734 1.00 2.58 O ATOM 359 HA ASP A 25 -10.565 9.233 2.419 1.00 0.00 H ATOM 360 HB2 ASP A 25 -11.363 9.724 4.735 1.00 0.00 H ATOM 361 HB3 ASP A 25 -12.448 10.161 3.395 1.00 0.00 H ATOM 362 H ASP A 25 -12.960 7.739 2.080 1.00 0.00 H ATOM 363 N LEU A 26 -8.922 7.875 3.387 1.00 1.00 N ATOM 364 CA LEU A 26 -7.794 7.152 3.889 1.00 0.87 C ATOM 365 C LEU A 26 -6.852 8.156 4.533 1.00 0.91 C ATOM 366 O LEU A 26 -5.664 8.185 4.259 1.00 1.19 O ATOM 367 CB LEU A 26 -7.106 6.464 2.696 1.00 0.95 C ATOM 368 CG LEU A 26 -7.972 5.487 1.887 1.00 0.69 C ATOM 369 CD1 LEU A 26 -7.304 5.133 0.573 1.00 1.18 C ATOM 370 CD2 LEU A 26 -8.273 4.228 2.689 1.00 1.38 C ATOM 371 HA LEU A 26 -8.085 6.400 4.623 1.00 0.00 H ATOM 372 HB2 LEU A 26 -6.759 7.243 2.017 1.00 0.00 H ATOM 373 HB3 LEU A 26 -6.249 5.910 3.080 1.00 0.00 H ATOM 374 HG LEU A 26 -8.917 5.984 1.668 1.00 0.00 H ATOM 375 HD21 LEU A 26 -7.338 3.732 2.949 1.00 0.00 H ATOM 376 HD22 LEU A 26 -8.808 4.498 3.599 1.00 0.00 H ATOM 377 HD23 LEU A 26 -8.888 3.556 2.090 1.00 0.00 H ATOM 378 HD11 LEU A 26 -7.156 6.040 -0.014 1.00 0.00 H ATOM 379 HD12 LEU A 26 -6.339 4.666 0.772 1.00 0.00 H ATOM 380 HD13 LEU A 26 -7.938 4.440 0.020 1.00 0.00 H ATOM 381 H LEU A 26 -8.739 8.660 2.730 1.00 0.00 H ATOM 382 N SER A 27 -7.394 8.984 5.381 1.00 0.93 N ATOM 383 CA SER A 27 -6.618 10.009 6.031 1.00 1.07 C ATOM 384 C SER A 27 -6.590 9.767 7.537 1.00 1.06 C ATOM 385 O SER A 27 -7.484 9.098 8.081 1.00 1.46 O ATOM 386 CB SER A 27 -7.212 11.370 5.704 1.00 1.33 C ATOM 387 OG SER A 27 -7.308 11.537 4.293 1.00 1.80 O ATOM 388 HA SER A 27 -5.590 9.981 5.669 1.00 0.00 H ATOM 389 HB2 SER A 27 -6.573 12.151 6.117 1.00 0.00 H ATOM 390 HB3 SER A 27 -8.206 11.445 6.144 1.00 0.00 H ATOM 391 HG SER A 27 -7.696 12.426 4.093 1.00 0.00 H ATOM 392 H SER A 27 -8.409 8.903 5.593 1.00 0.00 H ATOM 393 N GLY A 28 -5.574 10.282 8.193 1.00 1.43 N ATOM 394 CA GLY A 28 -5.426 10.088 9.605 1.00 1.57 C ATOM 395 C GLY A 28 -4.765 8.770 9.870 1.00 1.43 C ATOM 396 O GLY A 28 -3.701 8.479 9.310 1.00 1.82 O ATOM 397 HA3 GLY A 28 -6.408 10.102 10.077 1.00 0.00 H ATOM 398 HA2 GLY A 28 -4.814 10.890 10.018 1.00 0.00 H ATOM 399 H GLY A 28 -4.864 10.841 7.678 1.00 0.00 H ATOM 400 N ASP A 29 -5.376 7.959 10.675 1.00 1.22 N ATOM 401 CA ASP A 29 -4.854 6.648 10.934 1.00 1.16 C ATOM 402 C ASP A 29 -5.825 5.641 10.382 1.00 0.99 C ATOM 403 O ASP A 29 -6.734 5.203 11.055 1.00 1.26 O ATOM 404 CB ASP A 29 -4.581 6.418 12.426 1.00 1.43 C ATOM 405 CG ASP A 29 -3.909 5.090 12.705 1.00 1.92 C ATOM 406 OD1 ASP A 29 -2.823 4.850 12.180 1.00 2.45 O ATOM 407 OD2 ASP A 29 -4.450 4.274 13.479 1.00 2.57 O ATOM 408 HA ASP A 29 -3.888 6.539 10.440 1.00 0.00 H ATOM 409 HB2 ASP A 29 -3.935 7.218 12.789 1.00 0.00 H ATOM 410 HB3 ASP A 29 -5.530 6.447 12.962 1.00 0.00 H ATOM 411 H ASP A 29 -6.256 8.262 11.139 1.00 0.00 H ATOM 412 N PHE A 30 -5.667 5.359 9.114 1.00 0.68 N ATOM 413 CA PHE A 30 -6.553 4.450 8.395 1.00 0.58 C ATOM 414 C PHE A 30 -5.899 3.089 8.284 1.00 0.44 C ATOM 415 O PHE A 30 -6.375 2.199 7.584 1.00 0.43 O ATOM 416 CB PHE A 30 -6.831 5.005 6.981 1.00 0.59 C ATOM 417 CG PHE A 30 -5.632 5.001 6.042 1.00 0.54 C ATOM 418 CD1 PHE A 30 -4.609 5.926 6.207 1.00 0.65 C ATOM 419 CD2 PHE A 30 -5.526 4.081 5.014 1.00 0.55 C ATOM 420 CE1 PHE A 30 -3.513 5.932 5.368 1.00 0.73 C ATOM 421 CE2 PHE A 30 -4.430 4.086 4.173 1.00 0.64 C ATOM 422 CZ PHE A 30 -3.459 4.977 4.307 1.00 0.71 C ATOM 423 HA PHE A 30 -7.494 4.359 8.938 1.00 0.00 H ATOM 424 HB2 PHE A 30 -7.617 4.401 6.529 1.00 0.00 H ATOM 425 HB3 PHE A 30 -7.178 6.033 7.083 1.00 0.00 H ATOM 426 HD2 PHE A 30 -6.316 3.344 4.866 1.00 0.00 H ATOM 427 HE2 PHE A 30 -4.363 3.340 3.381 1.00 0.00 H ATOM 428 HZ PHE A 30 -2.621 4.981 3.610 1.00 0.00 H ATOM 429 HE1 PHE A 30 -2.706 6.650 5.512 1.00 0.00 H ATOM 430 HD1 PHE A 30 -4.673 6.659 7.012 1.00 0.00 H ATOM 431 H PHE A 30 -4.879 5.800 8.599 1.00 0.00 H ATOM 432 N LEU A 31 -4.822 2.925 8.999 1.00 0.41 N ATOM 433 CA LEU A 31 -4.019 1.735 8.900 1.00 0.35 C ATOM 434 C LEU A 31 -4.695 0.526 9.553 1.00 0.35 C ATOM 435 O LEU A 31 -4.277 -0.606 9.339 1.00 0.40 O ATOM 436 CB LEU A 31 -2.596 1.962 9.461 1.00 0.43 C ATOM 437 CG LEU A 31 -1.683 3.000 8.736 1.00 0.58 C ATOM 438 CD1 LEU A 31 -1.608 2.741 7.244 1.00 0.64 C ATOM 439 CD2 LEU A 31 -2.083 4.445 9.024 1.00 1.26 C ATOM 440 HA LEU A 31 -3.921 1.507 7.839 1.00 0.00 H ATOM 441 HB2 LEU A 31 -2.703 2.289 10.495 1.00 0.00 H ATOM 442 HB3 LEU A 31 -2.080 1.002 9.436 1.00 0.00 H ATOM 443 HG LEU A 31 -0.684 2.861 9.150 1.00 0.00 H ATOM 444 HD21 LEU A 31 -3.107 4.611 8.689 1.00 0.00 H ATOM 445 HD22 LEU A 31 -2.015 4.633 10.096 1.00 0.00 H ATOM 446 HD23 LEU A 31 -1.412 5.119 8.492 1.00 0.00 H ATOM 447 HD11 LEU A 31 -1.200 1.745 7.069 1.00 0.00 H ATOM 448 HD12 LEU A 31 -2.608 2.806 6.815 1.00 0.00 H ATOM 449 HD13 LEU A 31 -0.963 3.486 6.779 1.00 0.00 H ATOM 450 H LEU A 31 -4.535 3.675 9.660 1.00 0.00 H ATOM 451 N ASP A 32 -5.763 0.780 10.309 1.00 0.41 N ATOM 452 CA ASP A 32 -6.520 -0.280 10.980 1.00 0.54 C ATOM 453 C ASP A 32 -7.707 -0.717 10.123 1.00 0.47 C ATOM 454 O ASP A 32 -8.493 -1.590 10.521 1.00 0.57 O ATOM 455 CB ASP A 32 -7.021 0.175 12.364 1.00 0.78 C ATOM 456 CG ASP A 32 -8.111 1.219 12.297 1.00 1.51 C ATOM 457 OD1 ASP A 32 -7.867 2.312 11.744 1.00 2.09 O ATOM 458 OD2 ASP A 32 -9.235 0.966 12.800 1.00 2.24 O ATOM 459 HA ASP A 32 -5.845 -1.125 11.119 1.00 0.00 H ATOM 460 HB2 ASP A 32 -7.408 -0.695 12.894 1.00 0.00 H ATOM 461 HB3 ASP A 32 -6.178 0.590 12.917 1.00 0.00 H ATOM 462 H ASP A 32 -6.070 1.767 10.427 1.00 0.00 H ATOM 463 N LEU A 33 -7.855 -0.105 8.959 1.00 0.41 N ATOM 464 CA LEU A 33 -8.889 -0.510 8.015 1.00 0.42 C ATOM 465 C LEU A 33 -8.402 -1.755 7.297 1.00 0.45 C ATOM 466 O LEU A 33 -7.242 -2.123 7.433 1.00 0.76 O ATOM 467 CB LEU A 33 -9.170 0.593 6.980 1.00 0.49 C ATOM 468 CG LEU A 33 -9.681 1.936 7.507 1.00 0.98 C ATOM 469 CD1 LEU A 33 -9.906 2.894 6.350 1.00 1.73 C ATOM 470 CD2 LEU A 33 -10.967 1.753 8.292 1.00 1.56 C ATOM 471 HA LEU A 33 -9.814 -0.700 8.559 1.00 0.00 H ATOM 472 HB2 LEU A 33 -8.240 0.784 6.444 1.00 0.00 H ATOM 473 HB3 LEU A 33 -9.917 0.208 6.285 1.00 0.00 H ATOM 474 HG LEU A 33 -8.929 2.354 8.176 1.00 0.00 H ATOM 475 HD21 LEU A 33 -11.728 1.317 7.644 1.00 0.00 H ATOM 476 HD22 LEU A 33 -10.784 1.090 9.137 1.00 0.00 H ATOM 477 HD23 LEU A 33 -11.310 2.722 8.656 1.00 0.00 H ATOM 478 HD11 LEU A 33 -8.966 3.049 5.820 1.00 0.00 H ATOM 479 HD12 LEU A 33 -10.643 2.471 5.668 1.00 0.00 H ATOM 480 HD13 LEU A 33 -10.270 3.847 6.734 1.00 0.00 H ATOM 481 H LEU A 33 -7.220 0.681 8.713 1.00 0.00 H ATOM 482 N ARG A 34 -9.240 -2.408 6.551 1.00 0.38 N ATOM 483 CA ARG A 34 -8.777 -3.577 5.827 1.00 0.36 C ATOM 484 C ARG A 34 -9.056 -3.456 4.363 1.00 0.35 C ATOM 485 O ARG A 34 -10.071 -2.886 3.963 1.00 0.40 O ATOM 486 CB ARG A 34 -9.391 -4.863 6.338 1.00 0.40 C ATOM 487 CG ARG A 34 -9.133 -5.155 7.793 1.00 0.53 C ATOM 488 CD ARG A 34 -9.570 -6.556 8.134 1.00 0.62 C ATOM 489 NE ARG A 34 -10.915 -6.848 7.641 1.00 1.55 N ATOM 490 CZ ARG A 34 -11.211 -7.860 6.821 1.00 1.98 C ATOM 491 NH1 ARG A 34 -10.234 -8.631 6.321 1.00 1.70 N ATOM 492 NH2 ARG A 34 -12.465 -8.060 6.445 1.00 3.10 N ATOM 493 HA ARG A 34 -7.701 -3.621 5.995 1.00 0.00 H ATOM 494 HB2 ARG A 34 -10.469 -4.806 6.190 1.00 0.00 H ATOM 495 HB3 ARG A 34 -8.988 -5.688 5.750 1.00 0.00 H ATOM 496 HG2 ARG A 34 -8.067 -5.051 7.997 1.00 0.00 H ATOM 497 HG3 ARG A 34 -9.689 -4.446 8.406 1.00 0.00 H ATOM 498 HD2 ARG A 34 -9.559 -6.674 9.218 1.00 0.00 H ATOM 499 HD3 ARG A 34 -8.870 -7.262 7.686 1.00 0.00 H ATOM 500 HE ARG A 34 -11.691 -6.228 7.949 1.00 0.00 H ATOM 501 HH12 ARG A 34 -10.468 -9.418 5.683 1.00 0.00 H ATOM 502 HH11 ARG A 34 -9.243 -8.442 6.571 1.00 0.00 H ATOM 503 HH22 ARG A 34 -12.697 -8.847 5.807 1.00 0.00 H ATOM 504 HH21 ARG A 34 -13.218 -7.430 6.788 1.00 0.00 H ATOM 505 H ARG A 34 -10.230 -2.098 6.473 1.00 0.00 H ATOM 506 N PHE A 35 -8.181 -4.031 3.559 1.00 0.33 N ATOM 507 CA PHE A 35 -8.335 -4.010 2.117 1.00 0.33 C ATOM 508 C PHE A 35 -9.555 -4.792 1.684 1.00 0.36 C ATOM 509 O PHE A 35 -10.253 -4.393 0.766 1.00 0.36 O ATOM 510 CB PHE A 35 -7.095 -4.529 1.401 1.00 0.36 C ATOM 511 CG PHE A 35 -5.887 -3.651 1.544 1.00 0.34 C ATOM 512 CD1 PHE A 35 -5.919 -2.336 1.137 1.00 0.35 C ATOM 513 CD2 PHE A 35 -4.729 -4.136 2.130 1.00 0.39 C ATOM 514 CE1 PHE A 35 -4.822 -1.518 1.300 1.00 0.40 C ATOM 515 CE2 PHE A 35 -3.630 -3.324 2.300 1.00 0.43 C ATOM 516 CZ PHE A 35 -3.634 -2.047 1.732 1.00 0.43 C ATOM 517 HA PHE A 35 -8.471 -2.967 1.833 1.00 0.00 H ATOM 518 HB2 PHE A 35 -6.853 -5.512 1.806 1.00 0.00 H ATOM 519 HB3 PHE A 35 -7.327 -4.621 0.340 1.00 0.00 H ATOM 520 HD2 PHE A 35 -4.687 -5.174 2.461 1.00 0.00 H ATOM 521 HE2 PHE A 35 -2.769 -3.672 2.870 1.00 0.00 H ATOM 522 HZ PHE A 35 -2.707 -1.481 1.634 1.00 0.00 H ATOM 523 HE1 PHE A 35 -4.899 -0.452 1.086 1.00 0.00 H ATOM 524 HD1 PHE A 35 -6.824 -1.937 0.680 1.00 0.00 H ATOM 525 H PHE A 35 -7.357 -4.513 3.972 1.00 0.00 H ATOM 526 N GLU A 36 -9.834 -5.879 2.382 1.00 0.44 N ATOM 527 CA GLU A 36 -10.999 -6.706 2.079 1.00 0.55 C ATOM 528 C GLU A 36 -12.272 -5.901 2.361 1.00 0.56 C ATOM 529 O GLU A 36 -13.255 -5.946 1.611 1.00 0.65 O ATOM 530 CB GLU A 36 -10.975 -7.958 2.954 1.00 0.70 C ATOM 531 CG GLU A 36 -12.068 -8.969 2.663 1.00 1.23 C ATOM 532 CD GLU A 36 -12.052 -10.101 3.646 1.00 1.69 C ATOM 533 OE1 GLU A 36 -11.328 -11.085 3.411 1.00 1.94 O ATOM 534 OE2 GLU A 36 -12.791 -10.061 4.649 1.00 2.48 O ATOM 535 HA GLU A 36 -10.980 -7.002 1.030 1.00 0.00 H ATOM 536 HB2 GLU A 36 -10.013 -8.451 2.812 1.00 0.00 H ATOM 537 HB3 GLU A 36 -11.072 -7.645 3.994 1.00 0.00 H ATOM 538 HG2 GLU A 36 -13.035 -8.469 2.715 1.00 0.00 H ATOM 539 HG3 GLU A 36 -11.921 -9.370 1.660 1.00 0.00 H ATOM 540 H GLU A 36 -9.208 -6.152 3.167 1.00 0.00 H ATOM 541 N ASP A 37 -12.209 -5.102 3.406 1.00 0.55 N ATOM 542 CA ASP A 37 -13.342 -4.309 3.840 1.00 0.66 C ATOM 543 C ASP A 37 -13.573 -3.138 2.888 1.00 0.59 C ATOM 544 O ASP A 37 -14.710 -2.806 2.569 1.00 0.71 O ATOM 545 CB ASP A 37 -13.128 -3.815 5.266 1.00 0.79 C ATOM 546 CG ASP A 37 -14.337 -3.108 5.840 1.00 1.32 C ATOM 547 OD1 ASP A 37 -15.268 -3.777 6.319 1.00 1.48 O ATOM 548 OD2 ASP A 37 -14.386 -1.864 5.788 1.00 2.01 O ATOM 549 HA ASP A 37 -14.232 -4.937 3.825 1.00 0.00 H ATOM 550 HB2 ASP A 37 -12.895 -4.672 5.898 1.00 0.00 H ATOM 551 HB3 ASP A 37 -12.287 -3.122 5.270 1.00 0.00 H ATOM 552 H ASP A 37 -11.317 -5.038 3.937 1.00 0.00 H ATOM 553 N ILE A 38 -12.490 -2.550 2.393 1.00 0.49 N ATOM 554 CA ILE A 38 -12.597 -1.437 1.444 1.00 0.49 C ATOM 555 C ILE A 38 -12.678 -1.930 -0.011 1.00 0.45 C ATOM 556 O ILE A 38 -12.539 -1.148 -0.946 1.00 0.49 O ATOM 557 CB ILE A 38 -11.456 -0.378 1.583 1.00 0.52 C ATOM 558 CG1 ILE A 38 -10.074 -0.998 1.285 1.00 0.47 C ATOM 559 CG2 ILE A 38 -11.482 0.260 2.970 1.00 0.65 C ATOM 560 CD1 ILE A 38 -8.917 -0.016 1.351 1.00 0.56 C ATOM 561 HA ILE A 38 -13.530 -0.937 1.705 1.00 0.00 H ATOM 562 HB ILE A 38 -11.631 0.403 0.843 1.00 0.00 H ATOM 563 HG12 ILE A 38 -9.891 -1.789 2.012 1.00 0.00 H ATOM 564 HG13 ILE A 38 -10.101 -1.426 0.283 1.00 0.00 H ATOM 565 HD11 ILE A 38 -9.074 0.778 0.621 1.00 0.00 H ATOM 566 HD12 ILE A 38 -8.864 0.414 2.351 1.00 0.00 H ATOM 567 HD13 ILE A 38 -7.986 -0.538 1.128 1.00 0.00 H ATOM 568 HG21 ILE A 38 -12.442 0.752 3.124 1.00 0.00 H ATOM 569 HG22 ILE A 38 -11.342 -0.512 3.726 1.00 0.00 H ATOM 570 HG23 ILE A 38 -10.680 0.994 3.046 1.00 0.00 H ATOM 571 H ILE A 38 -11.549 -2.885 2.684 1.00 0.00 H ATOM 572 N GLY A 39 -12.941 -3.225 -0.175 1.00 0.44 N ATOM 573 CA GLY A 39 -13.150 -3.819 -1.488 1.00 0.47 C ATOM 574 C GLY A 39 -11.933 -3.766 -2.401 1.00 0.42 C ATOM 575 O GLY A 39 -12.055 -3.446 -3.587 1.00 0.55 O ATOM 576 HA3 GLY A 39 -13.967 -3.288 -1.977 1.00 0.00 H ATOM 577 HA2 GLY A 39 -13.428 -4.864 -1.350 1.00 0.00 H ATOM 578 H GLY A 39 -12.999 -3.835 0.666 1.00 0.00 H ATOM 579 N TYR A 40 -10.780 -4.075 -1.876 1.00 0.35 N ATOM 580 CA TYR A 40 -9.585 -4.069 -2.669 1.00 0.34 C ATOM 581 C TYR A 40 -9.155 -5.471 -3.025 1.00 0.38 C ATOM 582 O TYR A 40 -9.181 -6.390 -2.190 1.00 0.55 O ATOM 583 CB TYR A 40 -8.445 -3.332 -1.980 1.00 0.34 C ATOM 584 CG TYR A 40 -7.959 -2.153 -2.762 1.00 0.48 C ATOM 585 CD1 TYR A 40 -8.674 -0.973 -2.753 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.773 -2.198 -3.480 1.00 0.57 C ATOM 587 CE1 TYR A 40 -8.235 0.130 -3.429 1.00 0.81 C ATOM 588 CE2 TYR A 40 -6.326 -1.093 -4.171 1.00 0.77 C ATOM 589 CZ TYR A 40 -7.058 -0.027 -4.274 1.00 0.88 C ATOM 590 OH TYR A 40 -6.627 1.182 -4.786 1.00 1.10 O ATOM 591 HA TYR A 40 -9.824 -3.533 -3.587 1.00 0.00 H ATOM 592 HB3 TYR A 40 -7.615 -4.025 -1.843 1.00 0.00 H ATOM 593 HB2 TYR A 40 -8.792 -2.985 -1.007 1.00 0.00 H ATOM 594 HD2 TYR A 40 -6.188 -3.118 -3.498 1.00 0.00 H ATOM 595 HE2 TYR A 40 -5.342 -1.115 -4.639 1.00 0.00 H ATOM 596 HE1 TYR A 40 -8.745 1.089 -3.340 1.00 0.00 H ATOM 597 HD1 TYR A 40 -9.609 -0.920 -2.195 1.00 0.00 H ATOM 598 HH TYR A 40 -5.870 1.518 -4.244 1.00 0.00 H ATOM 599 H TYR A 40 -10.726 -4.329 -0.869 1.00 0.00 H ATOM 600 N ASP A 41 -8.770 -5.627 -4.255 1.00 0.47 N ATOM 601 CA ASP A 41 -8.297 -6.892 -4.774 1.00 0.57 C ATOM 602 C ASP A 41 -6.837 -7.040 -4.403 1.00 0.43 C ATOM 603 O ASP A 41 -6.115 -6.047 -4.355 1.00 0.37 O ATOM 604 CB ASP A 41 -8.416 -6.924 -6.316 1.00 0.83 C ATOM 605 CG ASP A 41 -9.818 -6.672 -6.838 1.00 1.34 C ATOM 606 OD1 ASP A 41 -10.622 -7.628 -6.937 1.00 1.89 O ATOM 607 OD2 ASP A 41 -10.160 -5.522 -7.136 1.00 1.76 O ATOM 608 HA ASP A 41 -8.896 -7.700 -4.354 1.00 0.00 H ATOM 609 HB2 ASP A 41 -7.756 -6.159 -6.726 1.00 0.00 H ATOM 610 HB3 ASP A 41 -8.093 -7.905 -6.664 1.00 0.00 H ATOM 611 H ASP A 41 -8.803 -4.808 -4.895 1.00 0.00 H ATOM 612 N SER A 42 -6.385 -8.249 -4.149 1.00 0.49 N ATOM 613 CA SER A 42 -4.976 -8.467 -3.850 1.00 0.49 C ATOM 614 C SER A 42 -4.119 -8.197 -5.089 1.00 0.45 C ATOM 615 O SER A 42 -2.970 -7.757 -4.990 1.00 0.44 O ATOM 616 CB SER A 42 -4.768 -9.853 -3.293 1.00 0.69 C ATOM 617 OG SER A 42 -5.529 -9.961 -2.058 1.00 0.88 O ATOM 618 HA SER A 42 -4.656 -7.762 -3.083 1.00 0.00 H ATOM 619 HB2 SER A 42 -3.709 -10.016 -3.091 1.00 0.00 H ATOM 620 HB3 SER A 42 -5.118 -10.596 -4.010 1.00 0.00 H ATOM 621 HG SER A 42 -6.489 -9.809 -2.249 1.00 0.00 H ATOM 622 H SER A 42 -7.040 -9.057 -4.162 1.00 0.00 H ATOM 623 N LEU A 43 -4.717 -8.407 -6.247 1.00 0.51 N ATOM 624 CA LEU A 43 -4.112 -8.061 -7.528 1.00 0.59 C ATOM 625 C LEU A 43 -3.862 -6.554 -7.563 1.00 0.51 C ATOM 626 O LEU A 43 -2.821 -6.081 -8.021 1.00 0.55 O ATOM 627 CB LEU A 43 -5.077 -8.434 -8.649 1.00 0.75 C ATOM 628 CG LEU A 43 -5.445 -9.909 -8.752 1.00 0.89 C ATOM 629 CD1 LEU A 43 -6.609 -10.083 -9.699 1.00 1.70 C ATOM 630 CD2 LEU A 43 -4.253 -10.724 -9.234 1.00 1.43 C ATOM 631 HA LEU A 43 -3.172 -8.598 -7.656 1.00 0.00 H ATOM 632 HB2 LEU A 43 -5.998 -7.870 -8.498 1.00 0.00 H ATOM 633 HB3 LEU A 43 -4.622 -8.137 -9.594 1.00 0.00 H ATOM 634 HG LEU A 43 -5.732 -10.267 -7.763 1.00 0.00 H ATOM 635 HD21 LEU A 43 -3.943 -10.366 -10.216 1.00 0.00 H ATOM 636 HD22 LEU A 43 -3.429 -10.613 -8.529 1.00 0.00 H ATOM 637 HD23 LEU A 43 -4.536 -11.774 -9.301 1.00 0.00 H ATOM 638 HD11 LEU A 43 -7.466 -9.523 -9.326 1.00 0.00 H ATOM 639 HD12 LEU A 43 -6.332 -9.711 -10.685 1.00 0.00 H ATOM 640 HD13 LEU A 43 -6.866 -11.140 -9.767 1.00 0.00 H ATOM 641 H LEU A 43 -5.663 -8.839 -6.246 1.00 0.00 H ATOM 642 N ALA A 44 -4.811 -5.815 -7.004 1.00 0.46 N ATOM 643 CA ALA A 44 -4.742 -4.375 -6.939 1.00 0.45 C ATOM 644 C ALA A 44 -3.715 -3.943 -5.912 1.00 0.37 C ATOM 645 O ALA A 44 -3.112 -2.885 -6.030 1.00 0.41 O ATOM 646 CB ALA A 44 -6.100 -3.791 -6.608 1.00 0.46 C ATOM 647 HA ALA A 44 -4.436 -4.000 -7.916 1.00 0.00 H ATOM 648 HB1 ALA A 44 -6.815 -4.077 -7.380 1.00 0.00 H ATOM 649 HB2 ALA A 44 -6.433 -4.173 -5.643 1.00 0.00 H ATOM 650 HB3 ALA A 44 -6.026 -2.704 -6.564 1.00 0.00 H ATOM 651 H ALA A 44 -5.639 -6.293 -6.596 1.00 0.00 H ATOM 652 N LEU A 45 -3.510 -4.767 -4.904 1.00 0.31 N ATOM 653 CA LEU A 45 -2.506 -4.496 -3.887 1.00 0.26 C ATOM 654 C LEU A 45 -1.133 -4.648 -4.489 1.00 0.24 C ATOM 655 O LEU A 45 -0.233 -3.851 -4.222 1.00 0.25 O ATOM 656 CB LEU A 45 -2.664 -5.426 -2.696 1.00 0.24 C ATOM 657 CG LEU A 45 -4.024 -5.396 -2.021 1.00 0.26 C ATOM 658 CD1 LEU A 45 -4.048 -6.321 -0.830 1.00 0.27 C ATOM 659 CD2 LEU A 45 -4.377 -3.985 -1.616 1.00 0.30 C ATOM 660 HA LEU A 45 -2.639 -3.475 -3.530 1.00 0.00 H ATOM 661 HB2 LEU A 45 -2.481 -6.445 -3.038 1.00 0.00 H ATOM 662 HB3 LEU A 45 -1.914 -5.153 -1.954 1.00 0.00 H ATOM 663 HG LEU A 45 -4.773 -5.745 -2.732 1.00 0.00 H ATOM 664 HD21 LEU A 45 -3.626 -3.609 -0.921 1.00 0.00 H ATOM 665 HD22 LEU A 45 -4.405 -3.350 -2.502 1.00 0.00 H ATOM 666 HD23 LEU A 45 -5.354 -3.981 -1.134 1.00 0.00 H ATOM 667 HD11 LEU A 45 -3.839 -7.339 -1.158 1.00 0.00 H ATOM 668 HD12 LEU A 45 -3.290 -6.007 -0.112 1.00 0.00 H ATOM 669 HD13 LEU A 45 -5.032 -6.283 -0.362 1.00 0.00 H ATOM 670 H LEU A 45 -4.081 -5.633 -4.834 1.00 0.00 H ATOM 671 N MET A 46 -0.989 -5.663 -5.327 1.00 0.26 N ATOM 672 CA MET A 46 0.241 -5.886 -6.072 1.00 0.28 C ATOM 673 C MET A 46 0.497 -4.699 -6.977 1.00 0.29 C ATOM 674 O MET A 46 1.602 -4.204 -7.055 1.00 0.34 O ATOM 675 CB MET A 46 0.152 -7.161 -6.912 1.00 0.32 C ATOM 676 CG MET A 46 0.099 -8.459 -6.121 1.00 0.34 C ATOM 677 SD MET A 46 -0.173 -9.885 -7.191 1.00 0.43 S ATOM 678 CE MET A 46 1.220 -9.719 -8.302 1.00 1.70 C ATOM 679 HA MET A 46 1.061 -6.001 -5.363 1.00 0.00 H ATOM 680 HB2 MET A 46 -0.750 -7.101 -7.521 1.00 0.00 H ATOM 681 HB3 MET A 46 1.026 -7.198 -7.562 1.00 0.00 H ATOM 682 HG2 MET A 46 -0.715 -8.399 -5.399 1.00 0.00 H ATOM 683 HG3 MET A 46 1.043 -8.589 -5.592 1.00 0.00 H ATOM 684 HE1 MET A 46 1.159 -8.761 -8.819 1.00 0.00 H ATOM 685 HE2 MET A 46 2.147 -9.766 -7.730 1.00 0.00 H ATOM 686 HE3 MET A 46 1.200 -10.529 -9.031 1.00 0.00 H ATOM 687 H MET A 46 -1.782 -6.323 -5.457 1.00 0.00 H ATOM 688 N GLU A 47 -0.558 -4.235 -7.628 1.00 0.31 N ATOM 689 CA GLU A 47 -0.509 -3.074 -8.513 1.00 0.38 C ATOM 690 C GLU A 47 -0.091 -1.815 -7.729 1.00 0.37 C ATOM 691 O GLU A 47 0.743 -1.016 -8.192 1.00 0.46 O ATOM 692 CB GLU A 47 -1.878 -2.880 -9.145 1.00 0.46 C ATOM 693 CG GLU A 47 -1.947 -1.784 -10.180 1.00 0.87 C ATOM 694 CD GLU A 47 -3.298 -1.710 -10.815 1.00 1.25 C ATOM 695 OE1 GLU A 47 -3.609 -2.580 -11.659 1.00 1.68 O ATOM 696 OE2 GLU A 47 -4.072 -0.789 -10.497 1.00 1.92 O ATOM 697 HA GLU A 47 0.232 -3.242 -9.295 1.00 0.00 H ATOM 698 HB2 GLU A 47 -2.167 -3.816 -9.622 1.00 0.00 H ATOM 699 HB3 GLU A 47 -2.588 -2.643 -8.352 1.00 0.00 H ATOM 700 HG2 GLU A 47 -1.729 -0.830 -9.700 1.00 0.00 H ATOM 701 HG3 GLU A 47 -1.203 -1.979 -10.952 1.00 0.00 H ATOM 702 H GLU A 47 -1.468 -4.722 -7.503 1.00 0.00 H ATOM 703 N THR A 48 -0.677 -1.654 -6.555 1.00 0.32 N ATOM 704 CA THR A 48 -0.350 -0.577 -5.640 1.00 0.34 C ATOM 705 C THR A 48 1.143 -0.639 -5.288 1.00 0.30 C ATOM 706 O THR A 48 1.868 0.358 -5.437 1.00 0.36 O ATOM 707 CB THR A 48 -1.223 -0.700 -4.355 1.00 0.35 C ATOM 708 OG1 THR A 48 -2.607 -0.617 -4.718 1.00 0.43 O ATOM 709 CG2 THR A 48 -0.915 0.408 -3.345 1.00 0.39 C ATOM 710 HA THR A 48 -0.558 0.383 -6.111 1.00 0.00 H ATOM 711 HB THR A 48 -0.995 -1.659 -3.889 1.00 0.00 H ATOM 712 HG1 THR A 48 -2.828 -1.353 -5.343 1.00 0.00 H ATOM 713 HG23 THR A 48 0.136 0.356 -3.060 1.00 0.00 H ATOM 714 HG21 THR A 48 -1.123 1.378 -3.797 1.00 0.00 H ATOM 715 HG22 THR A 48 -1.539 0.276 -2.461 1.00 0.00 H ATOM 716 H THR A 48 -1.411 -2.335 -6.273 1.00 0.00 H ATOM 717 N ALA A 49 1.586 -1.811 -4.851 1.00 0.26 N ATOM 718 CA ALA A 49 2.970 -2.039 -4.484 1.00 0.25 C ATOM 719 C ALA A 49 3.909 -1.798 -5.669 1.00 0.26 C ATOM 720 O ALA A 49 4.917 -1.136 -5.515 1.00 0.29 O ATOM 721 CB ALA A 49 3.141 -3.449 -3.940 1.00 0.26 C ATOM 722 HA ALA A 49 3.237 -1.326 -3.704 1.00 0.00 H ATOM 723 HB1 ALA A 49 2.511 -3.576 -3.060 1.00 0.00 H ATOM 724 HB2 ALA A 49 2.849 -4.170 -4.704 1.00 0.00 H ATOM 725 HB3 ALA A 49 4.184 -3.608 -3.668 1.00 0.00 H ATOM 726 H ALA A 49 0.912 -2.599 -4.768 1.00 0.00 H ATOM 727 N ALA A 50 3.533 -2.295 -6.852 1.00 0.26 N ATOM 728 CA ALA A 50 4.337 -2.170 -8.091 1.00 0.29 C ATOM 729 C ALA A 50 4.705 -0.721 -8.395 1.00 0.27 C ATOM 730 O ALA A 50 5.818 -0.418 -8.855 1.00 0.27 O ATOM 731 CB ALA A 50 3.588 -2.770 -9.272 1.00 0.38 C ATOM 732 HA ALA A 50 5.264 -2.720 -7.928 1.00 0.00 H ATOM 733 HB1 ALA A 50 3.393 -3.825 -9.079 1.00 0.00 H ATOM 734 HB2 ALA A 50 2.643 -2.244 -9.407 1.00 0.00 H ATOM 735 HB3 ALA A 50 4.193 -2.670 -10.173 1.00 0.00 H ATOM 736 H ALA A 50 2.624 -2.798 -6.906 1.00 0.00 H ATOM 737 N ARG A 51 3.778 0.166 -8.127 1.00 0.31 N ATOM 738 CA ARG A 51 3.961 1.576 -8.319 1.00 0.34 C ATOM 739 C ARG A 51 4.989 2.123 -7.328 1.00 0.32 C ATOM 740 O ARG A 51 5.867 2.914 -7.675 1.00 0.37 O ATOM 741 CB ARG A 51 2.607 2.239 -8.131 1.00 0.45 C ATOM 742 CG ARG A 51 2.622 3.735 -7.998 1.00 0.79 C ATOM 743 CD ARG A 51 1.205 4.271 -7.944 1.00 0.94 C ATOM 744 NE ARG A 51 0.395 3.612 -6.897 1.00 1.04 N ATOM 745 CZ ARG A 51 -0.802 3.045 -7.115 1.00 1.71 C ATOM 746 NH1 ARG A 51 -1.333 3.040 -8.346 1.00 1.90 N ATOM 747 NH2 ARG A 51 -1.451 2.483 -6.096 1.00 2.54 N ATOM 748 HA ARG A 51 4.343 1.784 -9.318 1.00 0.00 H ATOM 749 HB2 ARG A 51 1.989 1.986 -8.992 1.00 0.00 H ATOM 750 HB3 ARG A 51 2.156 1.828 -7.228 1.00 0.00 H ATOM 751 HG2 ARG A 51 3.146 4.010 -7.083 1.00 0.00 H ATOM 752 HG3 ARG A 51 3.138 4.168 -8.855 1.00 0.00 H ATOM 753 HD2 ARG A 51 0.730 4.105 -8.911 1.00 0.00 H ATOM 754 HD3 ARG A 51 1.242 5.341 -7.737 1.00 0.00 H ATOM 755 HE ARG A 51 0.777 3.586 -5.930 1.00 0.00 H ATOM 756 HH12 ARG A 51 -2.261 2.600 -8.510 1.00 0.00 H ATOM 757 HH11 ARG A 51 -0.817 3.477 -9.137 1.00 0.00 H ATOM 758 HH22 ARG A 51 -2.379 2.040 -6.251 1.00 0.00 H ATOM 759 HH21 ARG A 51 -1.029 2.487 -5.145 1.00 0.00 H ATOM 760 H ARG A 51 2.865 -0.169 -7.757 1.00 0.00 H ATOM 761 N LEU A 52 4.911 1.643 -6.122 1.00 0.29 N ATOM 762 CA LEU A 52 5.752 2.117 -5.054 1.00 0.30 C ATOM 763 C LEU A 52 7.160 1.538 -5.171 1.00 0.29 C ATOM 764 O LEU A 52 8.132 2.173 -4.752 1.00 0.34 O ATOM 765 CB LEU A 52 5.117 1.759 -3.717 1.00 0.30 C ATOM 766 CG LEU A 52 3.684 2.266 -3.512 1.00 0.34 C ATOM 767 CD1 LEU A 52 3.116 1.762 -2.201 1.00 0.37 C ATOM 768 CD2 LEU A 52 3.630 3.790 -3.572 1.00 0.40 C ATOM 769 HA LEU A 52 5.843 3.201 -5.122 1.00 0.00 H ATOM 770 HB2 LEU A 52 5.105 0.673 -3.630 1.00 0.00 H ATOM 771 HB3 LEU A 52 5.739 2.179 -2.926 1.00 0.00 H ATOM 772 HG LEU A 52 3.070 1.873 -4.323 1.00 0.00 H ATOM 773 HD21 LEU A 52 4.264 4.206 -2.789 1.00 0.00 H ATOM 774 HD22 LEU A 52 3.985 4.127 -4.546 1.00 0.00 H ATOM 775 HD23 LEU A 52 2.602 4.122 -3.424 1.00 0.00 H ATOM 776 HD11 LEU A 52 3.106 0.672 -2.206 1.00 0.00 H ATOM 777 HD12 LEU A 52 3.736 2.117 -1.378 1.00 0.00 H ATOM 778 HD13 LEU A 52 2.099 2.135 -2.080 1.00 0.00 H ATOM 779 H LEU A 52 4.219 0.893 -5.923 1.00 0.00 H ATOM 780 N GLU A 53 7.258 0.344 -5.760 1.00 0.28 N ATOM 781 CA GLU A 53 8.539 -0.326 -5.987 1.00 0.30 C ATOM 782 C GLU A 53 9.470 0.558 -6.781 1.00 0.35 C ATOM 783 O GLU A 53 10.543 0.936 -6.307 1.00 0.40 O ATOM 784 CB GLU A 53 8.358 -1.612 -6.774 1.00 0.34 C ATOM 785 CG GLU A 53 7.510 -2.670 -6.131 1.00 0.37 C ATOM 786 CD GLU A 53 7.442 -3.884 -6.999 1.00 0.48 C ATOM 787 OE1 GLU A 53 6.860 -3.812 -8.098 1.00 0.64 O ATOM 788 OE2 GLU A 53 7.896 -4.964 -6.574 1.00 0.51 O ATOM 789 HA GLU A 53 8.957 -0.543 -5.004 1.00 0.00 H ATOM 790 HB2 GLU A 53 7.902 -1.355 -7.730 1.00 0.00 H ATOM 791 HB3 GLU A 53 9.346 -2.038 -6.947 1.00 0.00 H ATOM 792 HG2 GLU A 53 7.943 -2.941 -5.168 1.00 0.00 H ATOM 793 HG3 GLU A 53 6.503 -2.280 -5.979 1.00 0.00 H ATOM 794 H GLU A 53 6.386 -0.130 -6.071 1.00 0.00 H ATOM 795 N SER A 54 9.022 0.918 -7.963 1.00 0.39 N ATOM 796 CA SER A 54 9.804 1.698 -8.895 1.00 0.49 C ATOM 797 C SER A 54 10.042 3.115 -8.346 1.00 0.49 C ATOM 798 O SER A 54 11.120 3.699 -8.531 1.00 0.61 O ATOM 799 CB SER A 54 9.069 1.736 -10.250 1.00 0.59 C ATOM 800 OG SER A 54 9.866 2.279 -11.291 1.00 1.33 O ATOM 801 HA SER A 54 10.782 1.238 -9.034 1.00 0.00 H ATOM 802 HB2 SER A 54 8.172 2.346 -10.143 1.00 0.00 H ATOM 803 HB3 SER A 54 8.786 0.719 -10.522 1.00 0.00 H ATOM 804 HG SER A 54 9.348 2.280 -12.135 1.00 0.00 H ATOM 805 H SER A 54 8.062 0.629 -8.240 1.00 0.00 H ATOM 806 N ARG A 55 9.057 3.639 -7.631 1.00 0.44 N ATOM 807 CA ARG A 55 9.132 4.977 -7.085 1.00 0.53 C ATOM 808 C ARG A 55 10.138 5.087 -5.933 1.00 0.54 C ATOM 809 O ARG A 55 10.921 6.023 -5.897 1.00 0.65 O ATOM 810 CB ARG A 55 7.744 5.457 -6.621 1.00 0.64 C ATOM 811 CG ARG A 55 7.693 6.871 -6.006 1.00 0.85 C ATOM 812 CD ARG A 55 7.939 7.999 -7.017 1.00 1.12 C ATOM 813 NE ARG A 55 9.282 7.987 -7.619 1.00 1.94 N ATOM 814 CZ ARG A 55 9.714 8.869 -8.528 1.00 2.78 C ATOM 815 NH1 ARG A 55 9.045 10.006 -8.739 1.00 3.05 N ATOM 816 NH2 ARG A 55 10.850 8.650 -9.159 1.00 3.79 N ATOM 817 HA ARG A 55 9.486 5.622 -7.889 1.00 0.00 H ATOM 818 HB2 ARG A 55 7.079 5.444 -7.485 1.00 0.00 H ATOM 819 HB3 ARG A 55 7.379 4.753 -5.873 1.00 0.00 H ATOM 820 HG2 ARG A 55 6.708 7.017 -5.562 1.00 0.00 H ATOM 821 HG3 ARG A 55 8.454 6.935 -5.228 1.00 0.00 H ATOM 822 HD2 ARG A 55 7.801 8.952 -6.506 1.00 0.00 H ATOM 823 HD3 ARG A 55 7.205 7.908 -7.817 1.00 0.00 H ATOM 824 HE ARG A 55 9.941 7.241 -7.317 1.00 0.00 H ATOM 825 HH12 ARG A 55 9.387 10.687 -9.447 1.00 0.00 H ATOM 826 HH11 ARG A 55 8.182 10.210 -8.195 1.00 0.00 H ATOM 827 HH22 ARG A 55 11.192 9.331 -9.867 1.00 0.00 H ATOM 828 HH21 ARG A 55 11.405 7.796 -8.949 1.00 0.00 H ATOM 829 H ARG A 55 8.203 3.071 -7.457 1.00 0.00 H ATOM 830 N TYR A 56 10.112 4.147 -5.010 1.00 0.53 N ATOM 831 CA TYR A 56 10.934 4.263 -3.804 1.00 0.62 C ATOM 832 C TYR A 56 12.172 3.377 -3.789 1.00 0.66 C ATOM 833 O TYR A 56 13.062 3.566 -2.962 1.00 0.75 O ATOM 834 CB TYR A 56 10.077 4.079 -2.545 1.00 0.66 C ATOM 835 CG TYR A 56 9.078 5.203 -2.377 1.00 0.74 C ATOM 836 CD1 TYR A 56 9.487 6.414 -1.863 1.00 0.90 C ATOM 837 CD2 TYR A 56 7.747 5.067 -2.757 1.00 0.75 C ATOM 838 CE1 TYR A 56 8.624 7.464 -1.729 1.00 1.03 C ATOM 839 CE2 TYR A 56 6.861 6.125 -2.619 1.00 0.88 C ATOM 840 CZ TYR A 56 7.316 7.324 -2.103 1.00 1.01 C ATOM 841 OH TYR A 56 6.464 8.397 -1.979 1.00 1.17 O ATOM 842 HA TYR A 56 11.333 5.277 -3.813 1.00 0.00 H ATOM 843 HB3 TYR A 56 10.731 4.054 -1.673 1.00 0.00 H ATOM 844 HB2 TYR A 56 9.537 3.135 -2.620 1.00 0.00 H ATOM 845 HD2 TYR A 56 7.397 4.120 -3.167 1.00 0.00 H ATOM 846 HE2 TYR A 56 5.818 6.012 -2.914 1.00 0.00 H ATOM 847 HE1 TYR A 56 8.977 8.412 -1.324 1.00 0.00 H ATOM 848 HD1 TYR A 56 10.525 6.537 -1.556 1.00 0.00 H ATOM 849 HH TYR A 56 6.956 9.165 -1.595 1.00 0.00 H ATOM 850 H TYR A 56 9.502 3.315 -5.139 1.00 0.00 H ATOM 851 N GLY A 57 12.239 2.427 -4.677 1.00 0.65 N ATOM 852 CA GLY A 57 13.414 1.596 -4.745 1.00 0.74 C ATOM 853 C GLY A 57 13.291 0.347 -3.916 1.00 0.73 C ATOM 854 O GLY A 57 14.183 0.021 -3.116 1.00 0.91 O ATOM 855 HA3 GLY A 57 14.269 2.170 -4.387 1.00 0.00 H ATOM 856 HA2 GLY A 57 13.580 1.310 -5.784 1.00 0.00 H ATOM 857 H GLY A 57 11.448 2.269 -5.334 1.00 0.00 H ATOM 858 N VAL A 58 12.192 -0.342 -4.085 1.00 0.59 N ATOM 859 CA VAL A 58 11.951 -1.597 -3.400 1.00 0.61 C ATOM 860 C VAL A 58 11.479 -2.621 -4.404 1.00 0.56 C ATOM 861 O VAL A 58 11.199 -2.273 -5.548 1.00 0.62 O ATOM 862 CB VAL A 58 10.897 -1.500 -2.238 1.00 0.64 C ATOM 863 CG1 VAL A 58 11.365 -0.579 -1.136 1.00 1.15 C ATOM 864 CG2 VAL A 58 9.541 -1.047 -2.753 1.00 1.17 C ATOM 865 HA VAL A 58 12.896 -1.885 -2.939 1.00 0.00 H ATOM 866 HB VAL A 58 10.793 -2.503 -1.825 1.00 0.00 H ATOM 867 HG11 VAL A 58 12.300 -0.956 -0.722 1.00 0.00 H ATOM 868 HG12 VAL A 58 11.523 0.420 -1.542 1.00 0.00 H ATOM 869 HG13 VAL A 58 10.609 -0.539 -0.352 1.00 0.00 H ATOM 870 HG21 VAL A 58 9.639 -0.064 -3.214 1.00 0.00 H ATOM 871 HG22 VAL A 58 9.177 -1.762 -3.491 1.00 0.00 H ATOM 872 HG23 VAL A 58 8.838 -0.992 -1.922 1.00 0.00 H ATOM 873 H VAL A 58 11.466 0.023 -4.733 1.00 0.00 H ATOM 874 N SER A 59 11.389 -3.843 -3.996 1.00 0.56 N ATOM 875 CA SER A 59 10.854 -4.881 -4.815 1.00 0.58 C ATOM 876 C SER A 59 10.057 -5.835 -3.934 1.00 0.58 C ATOM 877 O SER A 59 10.584 -6.399 -2.966 1.00 0.72 O ATOM 878 CB SER A 59 11.976 -5.590 -5.600 1.00 0.76 C ATOM 879 OG SER A 59 13.029 -6.047 -4.746 1.00 1.60 O ATOM 880 HA SER A 59 10.180 -4.464 -5.563 1.00 0.00 H ATOM 881 HB2 SER A 59 12.391 -4.892 -6.327 1.00 0.00 H ATOM 882 HB3 SER A 59 11.551 -6.447 -6.123 1.00 0.00 H ATOM 883 HG SER A 59 12.663 -6.688 -4.086 1.00 0.00 H ATOM 884 H SER A 59 11.718 -4.078 -3.038 1.00 0.00 H ATOM 885 N ILE A 60 8.798 -5.970 -4.217 1.00 0.50 N ATOM 886 CA ILE A 60 7.936 -6.790 -3.407 1.00 0.54 C ATOM 887 C ILE A 60 7.501 -8.002 -4.194 1.00 0.51 C ATOM 888 O ILE A 60 6.834 -7.866 -5.219 1.00 0.54 O ATOM 889 CB ILE A 60 6.697 -5.994 -2.912 1.00 0.63 C ATOM 890 CG1 ILE A 60 7.151 -4.802 -2.057 1.00 0.77 C ATOM 891 CG2 ILE A 60 5.745 -6.894 -2.119 1.00 0.71 C ATOM 892 CD1 ILE A 60 6.022 -3.931 -1.565 1.00 0.95 C ATOM 893 HA ILE A 60 8.495 -7.110 -2.528 1.00 0.00 H ATOM 894 HB ILE A 60 6.155 -5.622 -3.781 1.00 0.00 H ATOM 895 HG12 ILE A 60 7.689 -5.187 -1.191 1.00 0.00 H ATOM 896 HG13 ILE A 60 7.822 -4.187 -2.656 1.00 0.00 H ATOM 897 HD11 ILE A 60 5.479 -3.526 -2.419 1.00 0.00 H ATOM 898 HD12 ILE A 60 5.346 -4.527 -0.952 1.00 0.00 H ATOM 899 HD13 ILE A 60 6.428 -3.113 -0.970 1.00 0.00 H ATOM 900 HG21 ILE A 60 5.404 -7.711 -2.756 1.00 0.00 H ATOM 901 HG22 ILE A 60 6.268 -7.300 -1.253 1.00 0.00 H ATOM 902 HG23 ILE A 60 4.888 -6.309 -1.786 1.00 0.00 H ATOM 903 H ILE A 60 8.405 -5.477 -5.044 1.00 0.00 H ATOM 904 N PRO A 61 7.923 -9.206 -3.769 1.00 0.54 N ATOM 905 CA PRO A 61 7.533 -10.455 -4.425 1.00 0.59 C ATOM 906 C PRO A 61 6.008 -10.580 -4.549 1.00 0.59 C ATOM 907 O PRO A 61 5.264 -10.138 -3.652 1.00 0.52 O ATOM 908 CB PRO A 61 8.100 -11.536 -3.509 1.00 0.67 C ATOM 909 CG PRO A 61 9.235 -10.873 -2.810 1.00 0.69 C ATOM 910 CD PRO A 61 8.827 -9.443 -2.630 1.00 0.61 C ATOM 911 HA PRO A 61 7.908 -10.522 -5.446 1.00 0.00 H ATOM 912 HD3 PRO A 61 8.308 -9.300 -1.682 1.00 0.00 H ATOM 913 HD2 PRO A 61 9.692 -8.781 -2.672 1.00 0.00 H ATOM 914 HG3 PRO A 61 10.141 -10.936 -3.413 1.00 0.00 H ATOM 915 HG2 PRO A 61 9.411 -11.342 -1.842 1.00 0.00 H ATOM 916 HB2 PRO A 61 7.348 -11.869 -2.794 1.00 0.00 H ATOM 917 HB3 PRO A 61 8.450 -12.389 -4.090 1.00 0.00 H ATOM 918 N ASP A 62 5.576 -11.179 -5.654 1.00 0.75 N ATOM 919 CA ASP A 62 4.149 -11.334 -6.035 1.00 0.87 C ATOM 920 C ASP A 62 3.261 -11.753 -4.877 1.00 0.73 C ATOM 921 O ASP A 62 2.284 -11.077 -4.555 1.00 0.69 O ATOM 922 CB ASP A 62 3.983 -12.369 -7.170 1.00 1.19 C ATOM 923 CG ASP A 62 4.545 -11.935 -8.507 1.00 1.52 C ATOM 924 OD1 ASP A 62 5.743 -12.135 -8.752 1.00 1.63 O ATOM 925 OD2 ASP A 62 3.802 -11.356 -9.328 1.00 2.19 O ATOM 926 HA ASP A 62 3.834 -10.346 -6.369 1.00 0.00 H ATOM 927 HB2 ASP A 62 4.489 -13.287 -6.870 1.00 0.00 H ATOM 928 HB3 ASP A 62 2.919 -12.567 -7.297 1.00 0.00 H ATOM 929 H ASP A 62 6.291 -11.569 -6.301 1.00 0.00 H ATOM 930 N ASP A 63 3.635 -12.831 -4.223 1.00 0.74 N ATOM 931 CA ASP A 63 2.816 -13.427 -3.164 1.00 0.75 C ATOM 932 C ASP A 63 2.735 -12.563 -1.903 1.00 0.61 C ATOM 933 O ASP A 63 1.734 -12.582 -1.193 1.00 0.75 O ATOM 934 CB ASP A 63 3.326 -14.828 -2.823 1.00 0.88 C ATOM 935 CG ASP A 63 2.511 -15.492 -1.747 1.00 1.60 C ATOM 936 OD1 ASP A 63 1.374 -15.920 -2.024 1.00 2.48 O ATOM 937 OD2 ASP A 63 2.984 -15.587 -0.610 1.00 1.99 O ATOM 938 HA ASP A 63 1.801 -13.494 -3.556 1.00 0.00 H ATOM 939 HB2 ASP A 63 3.286 -15.443 -3.722 1.00 0.00 H ATOM 940 HB3 ASP A 63 4.359 -14.751 -2.482 1.00 0.00 H ATOM 941 H ASP A 63 4.543 -13.276 -4.466 1.00 0.00 H ATOM 942 N VAL A 64 3.762 -11.772 -1.665 1.00 0.48 N ATOM 943 CA VAL A 64 3.851 -10.927 -0.465 1.00 0.42 C ATOM 944 C VAL A 64 2.730 -9.897 -0.449 1.00 0.34 C ATOM 945 O VAL A 64 2.033 -9.735 0.552 1.00 0.39 O ATOM 946 CB VAL A 64 5.204 -10.184 -0.424 1.00 0.44 C ATOM 947 CG1 VAL A 64 5.308 -9.304 0.820 1.00 0.53 C ATOM 948 CG2 VAL A 64 6.347 -11.169 -0.453 1.00 0.56 C ATOM 949 HA VAL A 64 3.762 -11.578 0.405 1.00 0.00 H ATOM 950 HB VAL A 64 5.262 -9.545 -1.305 1.00 0.00 H ATOM 951 HG11 VAL A 64 4.504 -8.568 0.811 1.00 0.00 H ATOM 952 HG12 VAL A 64 5.223 -9.926 1.711 1.00 0.00 H ATOM 953 HG13 VAL A 64 6.271 -8.793 0.823 1.00 0.00 H ATOM 954 HG21 VAL A 64 6.278 -11.829 0.411 1.00 0.00 H ATOM 955 HG22 VAL A 64 6.293 -11.759 -1.368 1.00 0.00 H ATOM 956 HG23 VAL A 64 7.292 -10.627 -0.423 1.00 0.00 H ATOM 957 H VAL A 64 4.541 -11.744 -2.354 1.00 0.00 H ATOM 958 N ALA A 65 2.547 -9.226 -1.570 1.00 0.34 N ATOM 959 CA ALA A 65 1.544 -8.172 -1.679 1.00 0.39 C ATOM 960 C ALA A 65 0.118 -8.727 -1.588 1.00 0.43 C ATOM 961 O ALA A 65 -0.825 -7.992 -1.342 1.00 0.51 O ATOM 962 CB ALA A 65 1.746 -7.382 -2.951 1.00 0.47 C ATOM 963 HA ALA A 65 1.675 -7.499 -0.831 1.00 0.00 H ATOM 964 HB1 ALA A 65 2.738 -6.930 -2.943 1.00 0.00 H ATOM 965 HB2 ALA A 65 1.656 -8.048 -3.809 1.00 0.00 H ATOM 966 HB3 ALA A 65 0.989 -6.600 -3.016 1.00 0.00 H ATOM 967 H ALA A 65 3.133 -9.454 -2.398 1.00 0.00 H ATOM 968 N GLY A 66 -0.022 -10.029 -1.758 1.00 0.49 N ATOM 969 CA GLY A 66 -1.321 -10.650 -1.633 1.00 0.62 C ATOM 970 C GLY A 66 -1.609 -11.027 -0.191 1.00 0.64 C ATOM 971 O GLY A 66 -2.729 -11.408 0.159 1.00 0.97 O ATOM 972 HA3 GLY A 66 -1.347 -11.549 -2.249 1.00 0.00 H ATOM 973 HA2 GLY A 66 -2.084 -9.953 -1.978 1.00 0.00 H ATOM 974 H GLY A 66 0.809 -10.612 -1.984 1.00 0.00 H ATOM 975 N ARG A 67 -0.605 -10.884 0.652 1.00 0.53 N ATOM 976 CA ARG A 67 -0.702 -11.246 2.056 1.00 0.60 C ATOM 977 C ARG A 67 -0.888 -10.039 2.968 1.00 0.51 C ATOM 978 O ARG A 67 -0.775 -10.160 4.192 1.00 0.72 O ATOM 979 CB ARG A 67 0.520 -12.057 2.498 1.00 0.77 C ATOM 980 CG ARG A 67 0.474 -13.520 2.099 1.00 1.22 C ATOM 981 CD ARG A 67 1.705 -14.266 2.592 1.00 1.33 C ATOM 982 NE ARG A 67 2.834 -14.218 1.650 1.00 2.02 N ATOM 983 CZ ARG A 67 4.083 -13.827 1.922 1.00 2.59 C ATOM 984 NH1 ARG A 67 4.360 -13.119 3.009 1.00 2.75 N ATOM 985 NH2 ARG A 67 5.059 -14.110 1.060 1.00 3.52 N ATOM 986 HA ARG A 67 -1.596 -11.862 2.151 1.00 0.00 H ATOM 987 HB2 ARG A 67 1.408 -11.609 2.052 1.00 0.00 H ATOM 988 HB3 ARG A 67 0.593 -12.001 3.584 1.00 0.00 H ATOM 989 HG2 ARG A 67 -0.416 -13.978 2.530 1.00 0.00 H ATOM 990 HG3 ARG A 67 0.427 -13.591 1.012 1.00 0.00 H ATOM 991 HD2 ARG A 67 1.435 -15.309 2.755 1.00 0.00 H ATOM 992 HD3 ARG A 67 2.023 -13.823 3.536 1.00 0.00 H ATOM 993 HE ARG A 67 2.641 -14.519 0.673 1.00 0.00 H ATOM 994 HH12 ARG A 67 5.339 -12.825 3.202 1.00 0.00 H ATOM 995 HH11 ARG A 67 3.599 -12.858 3.668 1.00 0.00 H ATOM 996 HH22 ARG A 67 6.034 -13.810 1.262 1.00 0.00 H ATOM 997 HH21 ARG A 67 4.846 -14.630 0.185 1.00 0.00 H ATOM 998 H ARG A 67 0.293 -10.496 0.298 1.00 0.00 H ATOM 999 N VAL A 68 -1.175 -8.891 2.405 1.00 0.37 N ATOM 1000 CA VAL A 68 -1.390 -7.702 3.220 1.00 0.35 C ATOM 1001 C VAL A 68 -2.885 -7.409 3.369 1.00 0.37 C ATOM 1002 O VAL A 68 -3.584 -7.115 2.398 1.00 0.50 O ATOM 1003 CB VAL A 68 -0.593 -6.463 2.703 1.00 0.34 C ATOM 1004 CG1 VAL A 68 0.892 -6.723 2.834 1.00 0.38 C ATOM 1005 CG2 VAL A 68 -0.923 -6.112 1.261 1.00 0.34 C ATOM 1006 HA VAL A 68 -0.991 -7.914 4.212 1.00 0.00 H ATOM 1007 HB VAL A 68 -0.887 -5.612 3.318 1.00 0.00 H ATOM 1008 HG11 VAL A 68 1.137 -6.901 3.881 1.00 0.00 H ATOM 1009 HG12 VAL A 68 1.160 -7.599 2.243 1.00 0.00 H ATOM 1010 HG13 VAL A 68 1.445 -5.856 2.472 1.00 0.00 H ATOM 1011 HG21 VAL A 68 -0.680 -6.958 0.618 1.00 0.00 H ATOM 1012 HG22 VAL A 68 -1.986 -5.884 1.178 1.00 0.00 H ATOM 1013 HG23 VAL A 68 -0.339 -5.243 0.957 1.00 0.00 H ATOM 1014 H VAL A 68 -1.250 -8.828 1.370 1.00 0.00 H ATOM 1015 N ASP A 69 -3.377 -7.562 4.574 1.00 0.37 N ATOM 1016 CA ASP A 69 -4.796 -7.393 4.874 1.00 0.43 C ATOM 1017 C ASP A 69 -5.106 -5.955 5.215 1.00 0.32 C ATOM 1018 O ASP A 69 -6.131 -5.404 4.794 1.00 0.36 O ATOM 1019 CB ASP A 69 -5.209 -8.320 6.030 1.00 0.60 C ATOM 1020 CG ASP A 69 -6.648 -8.141 6.490 1.00 1.18 C ATOM 1021 OD1 ASP A 69 -7.575 -8.193 5.657 1.00 1.45 O ATOM 1022 OD2 ASP A 69 -6.872 -8.011 7.710 1.00 1.88 O ATOM 1023 HA ASP A 69 -5.369 -7.662 3.986 1.00 0.00 H ATOM 1024 HB2 ASP A 69 -5.080 -9.352 5.704 1.00 0.00 H ATOM 1025 HB3 ASP A 69 -4.552 -8.124 6.877 1.00 0.00 H ATOM 1026 H ASP A 69 -2.730 -7.814 5.348 1.00 0.00 H ATOM 1027 N THR A 70 -4.217 -5.335 5.938 1.00 0.27 N ATOM 1028 CA THR A 70 -4.400 -3.968 6.349 1.00 0.26 C ATOM 1029 C THR A 70 -3.383 -3.053 5.637 1.00 0.24 C ATOM 1030 O THR A 70 -2.288 -3.509 5.244 1.00 0.26 O ATOM 1031 CB THR A 70 -4.252 -3.852 7.880 1.00 0.35 C ATOM 1032 OG1 THR A 70 -3.006 -4.430 8.272 1.00 0.43 O ATOM 1033 CG2 THR A 70 -5.391 -4.573 8.592 1.00 0.39 C ATOM 1034 HA THR A 70 -5.404 -3.648 6.070 1.00 0.00 H ATOM 1035 HB THR A 70 -4.284 -2.798 8.158 1.00 0.00 H ATOM 1036 HG1 THR A 70 -2.987 -5.383 8.006 1.00 0.00 H ATOM 1037 HG23 THR A 70 -6.342 -4.132 8.293 1.00 0.00 H ATOM 1038 HG21 THR A 70 -5.377 -5.629 8.320 1.00 0.00 H ATOM 1039 HG22 THR A 70 -5.265 -4.472 9.670 1.00 0.00 H ATOM 1040 H THR A 70 -3.354 -5.840 6.225 1.00 0.00 H ATOM 1041 N PRO A 71 -3.719 -1.749 5.439 1.00 0.25 N ATOM 1042 CA PRO A 71 -2.842 -0.789 4.764 1.00 0.28 C ATOM 1043 C PRO A 71 -1.516 -0.615 5.477 1.00 0.27 C ATOM 1044 O PRO A 71 -0.507 -0.284 4.845 1.00 0.30 O ATOM 1045 CB PRO A 71 -3.635 0.521 4.790 1.00 0.34 C ATOM 1046 CG PRO A 71 -5.044 0.104 4.981 1.00 0.34 C ATOM 1047 CD PRO A 71 -4.986 -1.121 5.835 1.00 0.28 C ATOM 1048 HA PRO A 71 -2.586 -1.123 3.759 1.00 0.00 H ATOM 1049 HD3 PRO A 71 -4.979 -0.860 6.893 1.00 0.00 H ATOM 1050 HD2 PRO A 71 -5.830 -1.780 5.631 1.00 0.00 H ATOM 1051 HG3 PRO A 71 -5.508 -0.122 4.021 1.00 0.00 H ATOM 1052 HG2 PRO A 71 -5.610 0.890 5.480 1.00 0.00 H ATOM 1053 HB2 PRO A 71 -3.306 1.154 5.614 1.00 0.00 H ATOM 1054 HB3 PRO A 71 -3.517 1.061 3.850 1.00 0.00 H ATOM 1055 N ARG A 72 -1.508 -0.868 6.787 1.00 0.28 N ATOM 1056 CA ARG A 72 -0.296 -0.731 7.574 1.00 0.35 C ATOM 1057 C ARG A 72 0.769 -1.693 7.084 1.00 0.30 C ATOM 1058 O ARG A 72 1.929 -1.328 7.002 1.00 0.34 O ATOM 1059 CB ARG A 72 -0.537 -0.924 9.084 1.00 0.48 C ATOM 1060 CG ARG A 72 -1.040 -2.298 9.482 1.00 0.98 C ATOM 1061 CD ARG A 72 -1.077 -2.477 10.987 1.00 0.89 C ATOM 1062 NE ARG A 72 -1.962 -1.518 11.650 1.00 0.94 N ATOM 1063 CZ ARG A 72 -3.013 -1.844 12.408 1.00 1.42 C ATOM 1064 NH1 ARG A 72 -3.372 -3.130 12.555 1.00 2.05 N ATOM 1065 NH2 ARG A 72 -3.714 -0.886 13.003 1.00 1.73 N ATOM 1066 HA ARG A 72 0.051 0.293 7.437 1.00 0.00 H ATOM 1067 HB2 ARG A 72 0.405 -0.745 9.603 1.00 0.00 H ATOM 1068 HB3 ARG A 72 -1.273 -0.188 9.406 1.00 0.00 H ATOM 1069 HG2 ARG A 72 -2.047 -2.432 9.087 1.00 0.00 H ATOM 1070 HG3 ARG A 72 -0.380 -3.052 9.054 1.00 0.00 H ATOM 1071 HD2 ARG A 72 -0.068 -2.348 11.378 1.00 0.00 H ATOM 1072 HD3 ARG A 72 -1.426 -3.485 11.210 1.00 0.00 H ATOM 1073 HE ARG A 72 -1.757 -0.506 11.521 1.00 0.00 H ATOM 1074 HH12 ARG A 72 -4.191 -3.377 13.146 1.00 0.00 H ATOM 1075 HH11 ARG A 72 -2.831 -3.879 12.077 1.00 0.00 H ATOM 1076 HH22 ARG A 72 -4.533 -1.132 13.594 1.00 0.00 H ATOM 1077 HH21 ARG A 72 -3.444 0.110 12.878 1.00 0.00 H ATOM 1078 H ARG A 72 -2.387 -1.169 7.253 1.00 0.00 H ATOM 1079 N GLU A 73 0.350 -2.899 6.690 1.00 0.27 N ATOM 1080 CA GLU A 73 1.274 -3.922 6.238 1.00 0.29 C ATOM 1081 C GLU A 73 1.871 -3.540 4.895 1.00 0.25 C ATOM 1082 O GLU A 73 3.065 -3.644 4.696 1.00 0.27 O ATOM 1083 CB GLU A 73 0.583 -5.282 6.140 1.00 0.37 C ATOM 1084 CG GLU A 73 -0.022 -5.772 7.441 1.00 0.55 C ATOM 1085 CD GLU A 73 -0.626 -7.149 7.320 1.00 1.45 C ATOM 1086 OE1 GLU A 73 -1.789 -7.276 6.861 1.00 2.23 O ATOM 1087 OE2 GLU A 73 0.037 -8.139 7.695 1.00 1.78 O ATOM 1088 HA GLU A 73 2.076 -3.999 6.972 1.00 0.00 H ATOM 1089 HB2 GLU A 73 -0.214 -5.207 5.400 1.00 0.00 H ATOM 1090 HB3 GLU A 73 1.318 -6.015 5.808 1.00 0.00 H ATOM 1091 HG2 GLU A 73 0.759 -5.799 8.201 1.00 0.00 H ATOM 1092 HG3 GLU A 73 -0.802 -5.075 7.748 1.00 0.00 H ATOM 1093 H GLU A 73 -0.668 -3.110 6.708 1.00 0.00 H ATOM 1094 N LEU A 74 1.028 -3.050 3.997 1.00 0.24 N ATOM 1095 CA LEU A 74 1.461 -2.656 2.655 1.00 0.24 C ATOM 1096 C LEU A 74 2.452 -1.474 2.762 1.00 0.24 C ATOM 1097 O LEU A 74 3.471 -1.432 2.066 1.00 0.27 O ATOM 1098 CB LEU A 74 0.205 -2.316 1.792 1.00 0.27 C ATOM 1099 CG LEU A 74 0.362 -2.179 0.246 1.00 0.27 C ATOM 1100 CD1 LEU A 74 1.096 -0.912 -0.163 1.00 1.17 C ATOM 1101 CD2 LEU A 74 1.058 -3.399 -0.339 1.00 1.14 C ATOM 1102 HA LEU A 74 1.987 -3.472 2.159 1.00 0.00 H ATOM 1103 HB2 LEU A 74 -0.527 -3.103 1.970 1.00 0.00 H ATOM 1104 HB3 LEU A 74 -0.187 -1.367 2.158 1.00 0.00 H ATOM 1105 HG LEU A 74 -0.647 -2.111 -0.160 1.00 0.00 H ATOM 1106 HD21 LEU A 74 2.048 -3.500 0.107 1.00 0.00 H ATOM 1107 HD22 LEU A 74 0.469 -4.290 -0.124 1.00 0.00 H ATOM 1108 HD23 LEU A 74 1.155 -3.278 -1.418 1.00 0.00 H ATOM 1109 HD11 LEU A 74 0.544 -0.043 0.194 1.00 0.00 H ATOM 1110 HD12 LEU A 74 2.094 -0.915 0.274 1.00 0.00 H ATOM 1111 HD13 LEU A 74 1.174 -0.873 -1.250 1.00 0.00 H ATOM 1112 H LEU A 74 0.026 -2.942 4.254 1.00 0.00 H ATOM 1113 N LEU A 75 2.161 -0.556 3.673 1.00 0.23 N ATOM 1114 CA LEU A 75 3.028 0.591 3.937 1.00 0.25 C ATOM 1115 C LEU A 75 4.354 0.100 4.535 1.00 0.25 C ATOM 1116 O LEU A 75 5.451 0.512 4.110 1.00 0.26 O ATOM 1117 CB LEU A 75 2.332 1.541 4.931 1.00 0.28 C ATOM 1118 CG LEU A 75 3.052 2.855 5.266 1.00 0.36 C ATOM 1119 CD1 LEU A 75 3.125 3.758 4.054 1.00 0.60 C ATOM 1120 CD2 LEU A 75 2.359 3.563 6.420 1.00 0.59 C ATOM 1121 HA LEU A 75 3.225 1.123 3.006 1.00 0.00 H ATOM 1122 HB2 LEU A 75 1.358 1.797 4.513 1.00 0.00 H ATOM 1123 HB3 LEU A 75 2.193 0.995 5.864 1.00 0.00 H ATOM 1124 HG LEU A 75 4.071 2.615 5.569 1.00 0.00 H ATOM 1125 HD21 LEU A 75 1.328 3.784 6.143 1.00 0.00 H ATOM 1126 HD22 LEU A 75 2.370 2.919 7.299 1.00 0.00 H ATOM 1127 HD23 LEU A 75 2.884 4.492 6.642 1.00 0.00 H ATOM 1128 HD11 LEU A 75 3.672 3.252 3.258 1.00 0.00 H ATOM 1129 HD12 LEU A 75 2.116 3.989 3.713 1.00 0.00 H ATOM 1130 HD13 LEU A 75 3.640 4.681 4.321 1.00 0.00 H ATOM 1131 H LEU A 75 1.283 -0.656 4.221 1.00 0.00 H ATOM 1132 N ASP A 76 4.230 -0.836 5.476 1.00 0.27 N ATOM 1133 CA ASP A 76 5.363 -1.406 6.217 1.00 0.31 C ATOM 1134 C ASP A 76 6.275 -2.201 5.291 1.00 0.29 C ATOM 1135 O ASP A 76 7.462 -2.332 5.546 1.00 0.32 O ATOM 1136 CB ASP A 76 4.850 -2.302 7.354 1.00 0.39 C ATOM 1137 CG ASP A 76 5.921 -2.746 8.324 1.00 0.58 C ATOM 1138 OD1 ASP A 76 6.149 -2.038 9.333 1.00 0.69 O ATOM 1139 OD2 ASP A 76 6.519 -3.828 8.136 1.00 0.89 O ATOM 1140 HA ASP A 76 5.942 -0.586 6.642 1.00 0.00 H ATOM 1141 HB2 ASP A 76 4.093 -1.749 7.910 1.00 0.00 H ATOM 1142 HB3 ASP A 76 4.399 -3.190 6.912 1.00 0.00 H ATOM 1143 H ASP A 76 3.275 -1.183 5.699 1.00 0.00 H ATOM 1144 N LEU A 77 5.712 -2.730 4.211 1.00 0.30 N ATOM 1145 CA LEU A 77 6.495 -3.445 3.209 1.00 0.33 C ATOM 1146 C LEU A 77 7.522 -2.515 2.586 1.00 0.33 C ATOM 1147 O LEU A 77 8.706 -2.818 2.566 1.00 0.39 O ATOM 1148 CB LEU A 77 5.606 -4.031 2.102 1.00 0.40 C ATOM 1149 CG LEU A 77 4.629 -5.128 2.500 1.00 0.56 C ATOM 1150 CD1 LEU A 77 3.857 -5.599 1.282 1.00 0.91 C ATOM 1151 CD2 LEU A 77 5.360 -6.291 3.153 1.00 1.06 C ATOM 1152 HA LEU A 77 6.997 -4.269 3.716 1.00 0.00 H ATOM 1153 HB2 LEU A 77 5.024 -3.211 1.680 1.00 0.00 H ATOM 1154 HB3 LEU A 77 6.264 -4.440 1.335 1.00 0.00 H ATOM 1155 HG LEU A 77 3.926 -4.722 3.227 1.00 0.00 H ATOM 1156 HD21 LEU A 77 6.085 -6.703 2.451 1.00 0.00 H ATOM 1157 HD22 LEU A 77 5.876 -5.939 4.046 1.00 0.00 H ATOM 1158 HD23 LEU A 77 4.641 -7.062 3.428 1.00 0.00 H ATOM 1159 HD11 LEU A 77 3.304 -4.761 0.857 1.00 0.00 H ATOM 1160 HD12 LEU A 77 4.554 -5.989 0.540 1.00 0.00 H ATOM 1161 HD13 LEU A 77 3.160 -6.384 1.576 1.00 0.00 H ATOM 1162 H LEU A 77 4.685 -2.632 4.076 1.00 0.00 H ATOM 1163 N ILE A 78 7.058 -1.363 2.132 1.00 0.32 N ATOM 1164 CA ILE A 78 7.914 -0.385 1.468 1.00 0.39 C ATOM 1165 C ILE A 78 8.907 0.185 2.482 1.00 0.40 C ATOM 1166 O ILE A 78 10.128 0.102 2.294 1.00 0.44 O ATOM 1167 CB ILE A 78 7.074 0.788 0.901 1.00 0.46 C ATOM 1168 CG1 ILE A 78 5.895 0.281 0.045 1.00 0.47 C ATOM 1169 CG2 ILE A 78 7.962 1.728 0.073 1.00 0.62 C ATOM 1170 CD1 ILE A 78 6.299 -0.485 -1.193 1.00 0.59 C ATOM 1171 HA ILE A 78 8.435 -0.884 0.651 1.00 0.00 H ATOM 1172 HB ILE A 78 6.661 1.337 1.747 1.00 0.00 H ATOM 1173 HG12 ILE A 78 5.281 -0.373 0.665 1.00 0.00 H ATOM 1174 HG13 ILE A 78 5.305 1.143 -0.266 1.00 0.00 H ATOM 1175 HD11 ILE A 78 6.903 0.157 -1.835 1.00 0.00 H ATOM 1176 HD12 ILE A 78 6.879 -1.361 -0.903 1.00 0.00 H ATOM 1177 HD13 ILE A 78 5.405 -0.801 -1.731 1.00 0.00 H ATOM 1178 HG21 ILE A 78 8.753 2.130 0.706 1.00 0.00 H ATOM 1179 HG22 ILE A 78 8.404 1.173 -0.755 1.00 0.00 H ATOM 1180 HG23 ILE A 78 7.357 2.546 -0.318 1.00 0.00 H ATOM 1181 H ILE A 78 6.048 -1.146 2.252 1.00 0.00 H ATOM 1182 N ASN A 79 8.356 0.771 3.552 1.00 0.41 N ATOM 1183 CA ASN A 79 9.146 1.399 4.626 1.00 0.50 C ATOM 1184 C ASN A 79 10.182 0.433 5.171 1.00 0.42 C ATOM 1185 O ASN A 79 11.372 0.756 5.252 1.00 0.44 O ATOM 1186 CB ASN A 79 8.236 1.849 5.786 1.00 0.66 C ATOM 1187 CG ASN A 79 7.227 2.937 5.434 1.00 0.81 C ATOM 1188 OD1 ASN A 79 6.131 2.950 5.955 1.00 1.45 O ATOM 1189 ND2 ASN A 79 7.593 3.875 4.605 1.00 0.50 N ATOM 1190 HA ASN A 79 9.646 2.267 4.195 1.00 0.00 H ATOM 1191 HB2 ASN A 79 7.684 0.978 6.140 1.00 0.00 H ATOM 1192 HB3 ASN A 79 8.872 2.225 6.588 1.00 0.00 H ATOM 1193 HD22 ASN A 79 8.537 3.845 4.169 1.00 0.00 H ATOM 1194 HD21 ASN A 79 6.941 4.653 4.379 1.00 0.00 H ATOM 1195 H ASN A 79 7.319 0.784 3.629 1.00 0.00 H ATOM 1196 N GLY A 80 9.724 -0.764 5.486 1.00 0.40 N ATOM 1197 CA GLY A 80 10.562 -1.776 6.060 1.00 0.43 C ATOM 1198 C GLY A 80 11.659 -2.224 5.136 1.00 0.41 C ATOM 1199 O GLY A 80 12.808 -2.332 5.561 1.00 0.48 O ATOM 1200 HA3 GLY A 80 9.944 -2.638 6.310 1.00 0.00 H ATOM 1201 HA2 GLY A 80 11.014 -1.379 6.969 1.00 0.00 H ATOM 1202 H GLY A 80 8.722 -0.980 5.312 1.00 0.00 H ATOM 1203 N ALA A 81 11.324 -2.453 3.869 1.00 0.37 N ATOM 1204 CA ALA A 81 12.304 -2.912 2.885 1.00 0.43 C ATOM 1205 C ALA A 81 13.422 -1.900 2.712 1.00 0.44 C ATOM 1206 O ALA A 81 14.585 -2.271 2.679 1.00 0.56 O ATOM 1207 CB ALA A 81 11.651 -3.225 1.548 1.00 0.48 C ATOM 1208 HA ALA A 81 12.737 -3.836 3.267 1.00 0.00 H ATOM 1209 HB1 ALA A 81 10.906 -4.009 1.684 1.00 0.00 H ATOM 1210 HB2 ALA A 81 11.169 -2.327 1.161 1.00 0.00 H ATOM 1211 HB3 ALA A 81 12.411 -3.563 0.844 1.00 0.00 H ATOM 1212 H ALA A 81 10.339 -2.302 3.570 1.00 0.00 H ATOM 1213 N LEU A 82 13.066 -0.622 2.657 1.00 0.38 N ATOM 1214 CA LEU A 82 14.052 0.451 2.519 1.00 0.44 C ATOM 1215 C LEU A 82 14.965 0.537 3.730 1.00 0.52 C ATOM 1216 O LEU A 82 16.164 0.764 3.602 1.00 0.72 O ATOM 1217 CB LEU A 82 13.370 1.794 2.273 1.00 0.42 C ATOM 1218 CG LEU A 82 12.721 1.964 0.908 1.00 0.46 C ATOM 1219 CD1 LEU A 82 11.953 3.263 0.847 1.00 0.53 C ATOM 1220 CD2 LEU A 82 13.784 1.933 -0.178 1.00 0.62 C ATOM 1221 HA LEU A 82 14.668 0.210 1.653 1.00 0.00 H ATOM 1222 HB2 LEU A 82 12.596 1.921 3.030 1.00 0.00 H ATOM 1223 HB3 LEU A 82 14.120 2.577 2.387 1.00 0.00 H ATOM 1224 HG LEU A 82 12.024 1.142 0.747 1.00 0.00 H ATOM 1225 HD21 LEU A 82 14.494 2.744 -0.013 1.00 0.00 H ATOM 1226 HD22 LEU A 82 14.308 0.978 -0.145 1.00 0.00 H ATOM 1227 HD23 LEU A 82 13.310 2.055 -1.152 1.00 0.00 H ATOM 1228 HD11 LEU A 82 11.176 3.261 1.612 1.00 0.00 H ATOM 1229 HD12 LEU A 82 12.635 4.095 1.022 1.00 0.00 H ATOM 1230 HD13 LEU A 82 11.496 3.367 -0.137 1.00 0.00 H ATOM 1231 H LEU A 82 12.057 -0.376 2.714 1.00 0.00 H ATOM 1232 N ALA A 83 14.403 0.349 4.900 1.00 0.50 N ATOM 1233 CA ALA A 83 15.178 0.394 6.126 1.00 0.66 C ATOM 1234 C ALA A 83 16.062 -0.843 6.251 1.00 0.79 C ATOM 1235 O ALA A 83 17.175 -0.783 6.787 1.00 0.93 O ATOM 1236 CB ALA A 83 14.258 0.512 7.318 1.00 0.80 C ATOM 1237 HA ALA A 83 15.825 1.271 6.096 1.00 0.00 H ATOM 1238 HB1 ALA A 83 13.670 1.426 7.232 1.00 0.00 H ATOM 1239 HB2 ALA A 83 13.591 -0.350 7.347 1.00 0.00 H ATOM 1240 HB3 ALA A 83 14.852 0.545 8.232 1.00 0.00 H ATOM 1241 H ALA A 83 13.381 0.164 4.950 1.00 0.00 H ATOM 1242 N GLU A 84 15.569 -1.942 5.735 1.00 0.89 N ATOM 1243 CA GLU A 84 16.254 -3.210 5.781 1.00 1.15 C ATOM 1244 C GLU A 84 17.397 -3.247 4.769 1.00 1.27 C ATOM 1245 O GLU A 84 18.565 -3.409 5.144 1.00 1.57 O ATOM 1246 CB GLU A 84 15.252 -4.336 5.516 1.00 1.28 C ATOM 1247 CG GLU A 84 15.826 -5.730 5.556 1.00 1.66 C ATOM 1248 CD GLU A 84 14.761 -6.772 5.377 1.00 2.21 C ATOM 1249 OE1 GLU A 84 14.110 -7.135 6.369 1.00 2.70 O ATOM 1250 OE2 GLU A 84 14.552 -7.247 4.250 1.00 2.70 O ATOM 1251 HA GLU A 84 16.689 -3.346 6.771 1.00 0.00 H ATOM 1252 HB2 GLU A 84 14.467 -4.273 6.269 1.00 0.00 H ATOM 1253 HB3 GLU A 84 14.820 -4.177 4.528 1.00 0.00 H ATOM 1254 HG2 GLU A 84 16.560 -5.833 4.757 1.00 0.00 H ATOM 1255 HG3 GLU A 84 16.314 -5.884 6.518 1.00 0.00 H ATOM 1256 H GLU A 84 14.640 -1.898 5.270 1.00 0.00 H ATOM 1257 N ALA A 85 17.072 -3.063 3.511 1.00 1.28 N ATOM 1258 CA ALA A 85 18.041 -3.142 2.457 1.00 1.63 C ATOM 1259 C ALA A 85 17.666 -2.231 1.311 1.00 2.15 C ATOM 1260 O ALA A 85 16.745 -2.513 0.539 1.00 2.73 O ATOM 1261 CB ALA A 85 18.185 -4.578 1.969 1.00 2.17 C ATOM 1262 HA ALA A 85 19.001 -2.813 2.855 1.00 0.00 H ATOM 1263 HB1 ALA A 85 18.509 -5.211 2.796 1.00 0.00 H ATOM 1264 HB2 ALA A 85 17.224 -4.931 1.594 1.00 0.00 H ATOM 1265 HB3 ALA A 85 18.925 -4.616 1.169 1.00 0.00 H ATOM 1266 H ALA A 85 16.082 -2.854 3.271 1.00 0.00 H ATOM 1267 N ALA A 86 18.336 -1.141 1.221 1.00 2.73 N ATOM 1268 CA ALA A 86 18.143 -0.225 0.149 1.00 3.78 C ATOM 1269 C ALA A 86 19.480 0.029 -0.469 1.00 4.48 C ATOM 1270 O ALA A 86 20.277 0.791 0.122 1.00 5.02 O ATOM 1271 CB ALA A 86 17.506 1.064 0.630 1.00 4.48 C ATOM 1272 HA ALA A 86 17.459 -0.647 -0.587 1.00 0.00 H ATOM 1273 OXT ALA A 86 19.777 -0.583 -1.509 1.00 4.86 O ATOM 1274 HB1 ALA A 86 16.536 0.844 1.076 1.00 0.00 H ATOM 1275 HB2 ALA A 86 18.152 1.532 1.373 1.00 0.00 H ATOM 1276 HB3 ALA A 86 17.374 1.740 -0.215 1.00 0.00 H ATOM 1277 H ALA A 86 19.041 -0.920 1.953 1.00 0.00 H TER 1278 ALA A 86 HETATM 1279 O23 PNS A 1 -7.639 -10.447 -0.867 1.00 -0.62 O HETATM 1280 P24 PNS A 1 -6.712 -10.936 -1.998 1.00 0.11 P HETATM 1281 O26 PNS A 1 -6.156 -12.391 -1.930 1.00 -0.62 O HETATM 1282 O27 PNS A 1 -7.474 -10.749 -3.347 1.00 -0.28 O HETATM 1283 C28 PNS A 1 -8.601 -11.672 -3.594 1.00 0.09 C HETATM 1284 C29 PNS A 1 -9.386 -11.309 -4.854 1.00 0.04 C HETATM 1285 C30 PNS A 1 -10.042 -9.975 -4.577 1.00 -0.05 C HETATM 1286 H4 PNS A 1 -10.624 -9.663 -5.457 1.00 0.02 H HETATM 1287 H5 PNS A 1 -9.268 -9.223 -4.364 1.00 0.02 H HETATM 1288 H6 PNS A 1 -10.711 -10.069 -3.709 1.00 0.02 H HETATM 1289 C31 PNS A 1 -8.438 -11.210 -6.062 1.00 -0.05 C HETATM 1290 H7 PNS A 1 -7.973 -12.190 -6.245 1.00 0.02 H HETATM 1291 H8 PNS A 1 -7.655 -10.466 -5.854 1.00 0.02 H HETATM 1292 H9 PNS A 1 -9.008 -10.903 -6.951 1.00 0.02 H HETATM 1293 C32 PNS A 1 -10.497 -12.421 -5.109 1.00 0.15 C HETATM 1294 O33 PNS A 1 -9.929 -13.744 -5.153 1.00 -0.37 O HETATM 1295 H11 PNS A 1 -10.619 -14.379 -5.306 1.00 0.21 H HETATM 1296 C34 PNS A 1 -11.316 -12.201 -6.396 1.00 0.21 C HETATM 1297 O35 PNS A 1 -11.644 -11.084 -6.813 1.00 -0.39 O HETATM 1298 N36 PNS A 1 -11.655 -13.300 -7.003 1.00 -0.28 N HETATM 1299 C37 PNS A 1 -12.457 -13.365 -8.237 1.00 0.05 C HETATM 1300 C38 PNS A 1 -12.492 -14.771 -8.854 1.00 0.06 C HETATM 1301 C39 PNS A 1 -11.279 -15.142 -9.737 1.00 0.18 C HETATM 1302 O40 PNS A 1 -11.122 -16.297 -10.151 1.00 -0.40 O HETATM 1303 N41 PNS A 1 -10.447 -14.152 -10.031 1.00 -0.29 N HETATM 1304 C42 PNS A 1 -9.257 -14.292 -10.855 1.00 0.04 C HETATM 1305 C43 PNS A 1 -8.253 -13.193 -10.565 1.00 0.01 C HETATM 1306 S44 PNS A 1 -6.861 -13.109 -11.701 1.00 -0.18 S HETATM 1307 H22 PNS A 1 -6.252 -12.353 -11.429 1.00 0.10 H HETATM 1308 H20 PNS A 1 -7.856 -13.353 -9.552 1.00 0.04 H HETATM 1309 H21 PNS A 1 -8.782 -12.229 -10.604 1.00 0.04 H HETATM 1310 H18 PNS A 1 -9.547 -14.242 -11.915 1.00 0.05 H HETATM 1311 H19 PNS A 1 -8.791 -15.267 -10.648 1.00 0.05 H HETATM 1312 H17 PNS A 1 -10.652 -13.246 -9.660 1.00 0.19 H HETATM 1313 H15 PNS A 1 -13.398 -14.846 -9.474 1.00 0.05 H HETATM 1314 H16 PNS A 1 -12.548 -15.500 -8.032 1.00 0.05 H HETATM 1315 H13 PNS A 1 -12.026 -12.670 -8.973 1.00 0.05 H HETATM 1316 H14 PNS A 1 -13.487 -13.059 -8.002 1.00 0.05 H HETATM 1317 H12 PNS A 1 -11.349 -14.164 -6.603 1.00 0.19 H HETATM 1318 H10 PNS A 1 -11.194 -12.378 -4.260 1.00 0.08 H HETATM 1319 H2 PNS A 1 -9.282 -11.637 -2.731 1.00 0.06 H HETATM 1320 H3 PNS A 1 -8.204 -12.692 -3.707 1.00 0.06 H HETATM 1321 H1 PNS A 1 -5.910 -10.326 -1.996 1.00 0.18 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1279 1280 CONECT 1280 1279 1281 1282 1321 CONECT 1281 1280 CONECT 1282 1280 1283 CONECT 1283 1282 1284 1319 1320 CONECT 1284 1283 1285 1289 1293 CONECT 1285 1284 1286 1287 1288 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1285 CONECT 1289 1284 1290 1291 1292 CONECT 1290 1289 CONECT 1291 1289 CONECT 1292 1289 CONECT 1293 1284 1294 1296 1318 CONECT 1294 1293 1295 CONECT 1295 1294 CONECT 1296 1293 1297 1298 CONECT 1297 1296 CONECT 1298 1296 1299 1317 CONECT 1299 1298 1300 1315 1316 CONECT 1300 1299 1301 1313 1314 CONECT 1301 1300 1302 1303 CONECT 1302 1301 CONECT 1303 1301 1304 1312 CONECT 1304 1303 1305 1310 1311 CONECT 1305 1304 1306 1308 1309 CONECT 1306 1305 1307 CONECT 1307 1306 CONECT 1308 1305 CONECT 1309 1305 CONECT 1310 1304 CONECT 1311 1304 CONECT 1312 1303 CONECT 1313 1300 CONECT 1314 1300 CONECT 1315 1299 CONECT 1316 1299 CONECT 1317 1298 CONECT 1318 1293 CONECT 1319 1283 CONECT 1320 1283 CONECT 1321 1280 MASTER 0 0 0 0 0 0 0 0 1320 1 47 7 END
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Related entries of code: 2k0x
Entries with 90% protein sequence similarity cutoff in PDBbind
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Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2k0x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
actinorhodin holo acyl carrier protein
Ligand Name
PNS
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=2.1uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Chembiochem Vol. 9: pp. 2424-2432
Ligand Properties
Formula
C
1
1
H
2
4
N
2
O
6
PS
Molecular Weight
343.357
Exact Mass
343.109
No. of atoms
45
No. of bonds
44
Polar Surface Area
180.51
LOGP Value
-1.74 (
Computed with XLOGP3
)
-0.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 0
Canonical SMILES
SCCNC(=O)CCNC(=O)[C@H](C(COP(O)O)(C)C)O
InChI String
InChI=1S/C11H25N2O6PS/c1-11(2,7-19-20(17)18)9(15)10(16)13-4-3-8(14)12-5-6-21/h9,15,17-18,21H,3-7,20H2,1-2H3,(H,12,14)(H,13,16)/t9-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q02054
Entrez Gene ID
NCBI Entrez Gene ID:
1100530
ASD
Information of known allosteric effects of PDB entries
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