Browse entries in the PDBbind-CN Database
HEADER 2L98_COMPLEX COMPND 2L98_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 72 MET GLY LYS SER GLU GLU GLU LEU SER ASP LEU PHE ARG SEQRES 2 A 72 MET PHE ASP LYS ASN ALA ASP GLY TYR ILE ASP LEU ASP SEQRES 3 A 72 GLU LEU LYS ILE MET LEU GLN ALA THR GLY GLU THR ILE SEQRES 4 A 72 THR GLU ASP ASP ILE GLU GLU LEU MET LYS ASP GLY ASP SEQRES 5 A 72 LYS ASN ASN ASP GLY ARG ILE ASP TYR ASP GLU PHE LEU SEQRES 6 A 72 GLU PHE MET LYS GLY VAL GLU HET CA A 1 1 HET CA A 2 1 HET STL A 75 29 ATOM 1 N MET A 90 9.105 3.614 -3.225 1.00 2.87 N ATOM 2 CA MET A 90 8.083 4.055 -2.227 1.00 2.20 C ATOM 3 C MET A 90 8.687 4.061 -0.814 1.00 1.76 C ATOM 4 O MET A 90 9.676 3.401 -0.554 1.00 2.23 O ATOM 5 CB MET A 90 6.958 3.016 -2.325 1.00 2.68 C ATOM 6 CG MET A 90 5.734 3.643 -2.999 1.00 3.11 C ATOM 7 SD MET A 90 4.446 3.936 -1.759 1.00 4.08 S ATOM 8 CE MET A 90 3.038 3.388 -2.756 1.00 4.71 C ATOM 9 HA MET A 90 7.724 5.065 -2.423 1.00 0.00 H ATOM 10 HB2 MET A 90 7.300 2.165 -2.914 1.00 0.00 H ATOM 11 HB3 MET A 90 6.688 2.678 -1.324 1.00 0.00 H ATOM 12 HG2 MET A 90 5.354 2.967 -3.765 1.00 0.00 H ATOM 13 HG3 MET A 90 6.017 4.589 -3.460 1.00 0.00 H ATOM 14 HE1 MET A 90 2.968 4.004 -3.652 1.00 0.00 H ATOM 15 HE2 MET A 90 3.180 2.345 -3.040 1.00 0.00 H ATOM 16 HE3 MET A 90 2.122 3.486 -2.173 1.00 0.00 H ATOM 17 HN3 MET A 90 9.427 2.654 -2.988 1.00 0.00 H ATOM 18 HN2 MET A 90 9.914 4.268 -3.203 1.00 0.00 H ATOM 19 HN1 MET A 90 8.683 3.615 -4.175 1.00 0.00 H ATOM 20 N GLY A 91 8.098 4.798 0.101 1.00 1.61 N ATOM 21 CA GLY A 91 8.633 4.840 1.501 1.00 1.31 C ATOM 22 C GLY A 91 8.212 3.567 2.245 1.00 1.37 C ATOM 23 O GLY A 91 8.108 2.505 1.660 1.00 1.61 O ATOM 24 HA3 GLY A 91 8.233 5.713 2.018 1.00 0.00 H ATOM 25 HA2 GLY A 91 9.721 4.903 1.473 1.00 0.00 H ATOM 26 H GLY A 91 7.256 5.355 -0.148 1.00 0.00 H ATOM 27 N LYS A 92 7.951 3.665 3.523 1.00 1.27 N ATOM 28 CA LYS A 92 7.516 2.461 4.294 1.00 1.47 C ATOM 29 C LYS A 92 5.985 2.467 4.382 1.00 1.40 C ATOM 30 O LYS A 92 5.310 1.741 3.679 1.00 1.56 O ATOM 31 CB LYS A 92 8.165 2.620 5.675 1.00 1.61 C ATOM 32 CG LYS A 92 8.606 1.252 6.202 1.00 1.94 C ATOM 33 CD LYS A 92 9.341 1.430 7.537 1.00 2.31 C ATOM 34 CE LYS A 92 8.328 1.719 8.654 1.00 2.59 C ATOM 35 NZ LYS A 92 8.409 3.191 8.893 1.00 3.20 N ATOM 36 HA LYS A 92 7.810 1.516 3.837 1.00 0.00 H ATOM 37 HB2 LYS A 92 9.033 3.274 5.594 1.00 0.00 H ATOM 38 HB3 LYS A 92 7.445 3.059 6.365 1.00 0.00 H ATOM 39 HG2 LYS A 92 7.730 0.620 6.351 1.00 0.00 H ATOM 40 HG3 LYS A 92 9.273 0.782 5.480 1.00 0.00 H ATOM 41 HD2 LYS A 92 9.890 0.518 7.773 1.00 0.00 H ATOM 42 HD3 LYS A 92 10.040 2.263 7.457 1.00 0.00 H ATOM 43 HE2 LYS A 92 8.591 1.171 9.559 1.00 0.00 H ATOM 44 HE3 LYS A 92 7.323 1.438 8.339 1.00 0.00 H ATOM 45 HZ1 LYS A 92 9.376 3.441 9.182 1.00 0.00 H ATOM 46 HZ2 LYS A 92 8.165 3.697 8.018 1.00 0.00 H ATOM 47 HZ3 LYS A 92 7.742 3.456 9.645 1.00 0.00 H ATOM 48 H LYS A 92 8.046 4.582 4.003 1.00 0.00 H ATOM 49 N SER A 93 5.441 3.312 5.215 1.00 1.38 N ATOM 50 CA SER A 93 3.961 3.426 5.337 1.00 1.40 C ATOM 51 C SER A 93 3.608 4.895 5.577 1.00 1.20 C ATOM 52 O SER A 93 4.434 5.771 5.390 1.00 1.08 O ATOM 53 CB SER A 93 3.568 2.555 6.531 1.00 1.60 C ATOM 54 OG SER A 93 2.461 1.741 6.164 1.00 2.20 O ATOM 55 HA SER A 93 3.432 3.098 4.442 1.00 0.00 H ATOM 56 HB2 SER A 93 3.292 3.190 7.373 1.00 0.00 H ATOM 57 HB3 SER A 93 4.409 1.923 6.815 1.00 0.00 H ATOM 58 HG SER A 93 2.201 1.174 6.933 1.00 0.00 H ATOM 59 H SER A 93 6.051 3.915 5.803 1.00 0.00 H ATOM 60 N GLU A 94 2.406 5.184 5.992 1.00 1.26 N ATOM 61 CA GLU A 94 2.030 6.610 6.240 1.00 1.17 C ATOM 62 C GLU A 94 2.775 7.195 7.456 1.00 1.12 C ATOM 63 O GLU A 94 2.705 8.383 7.705 1.00 1.09 O ATOM 64 CB GLU A 94 0.520 6.605 6.460 1.00 1.33 C ATOM 65 CG GLU A 94 -0.158 7.052 5.160 1.00 1.28 C ATOM 66 CD GLU A 94 -0.677 5.831 4.398 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.686 5.282 4.810 1.00 2.09 O ATOM 68 OE2 GLU A 94 -0.057 5.467 3.414 1.00 1.94 O ATOM 69 HA GLU A 94 2.310 7.243 5.398 1.00 0.00 H ATOM 70 HB2 GLU A 94 0.189 5.600 6.722 1.00 0.00 H ATOM 71 HB3 GLU A 94 0.262 7.293 7.266 1.00 0.00 H ATOM 72 HG2 GLU A 94 -0.992 7.713 5.396 1.00 0.00 H ATOM 73 HG3 GLU A 94 0.563 7.586 4.541 1.00 0.00 H ATOM 74 H GLU A 94 1.712 4.426 6.150 1.00 0.00 H ATOM 75 N GLU A 95 3.501 6.390 8.207 1.00 1.19 N ATOM 76 CA GLU A 95 4.253 6.954 9.385 1.00 1.23 C ATOM 77 C GLU A 95 5.387 7.831 8.851 1.00 1.03 C ATOM 78 O GLU A 95 5.515 8.988 9.206 1.00 1.01 O ATOM 79 CB GLU A 95 4.845 5.787 10.219 1.00 1.45 C ATOM 80 CG GLU A 95 4.134 4.448 9.951 1.00 1.90 C ATOM 81 CD GLU A 95 5.005 3.580 9.033 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.561 4.115 8.085 1.00 2.66 O ATOM 83 OE2 GLU A 95 5.106 2.394 9.296 1.00 2.49 O ATOM 84 HA GLU A 95 3.588 7.543 10.017 1.00 0.00 H ATOM 85 HB2 GLU A 95 5.900 5.679 9.968 1.00 0.00 H ATOM 86 HB3 GLU A 95 4.747 6.029 11.277 1.00 0.00 H ATOM 87 HG2 GLU A 95 3.970 3.928 10.895 1.00 0.00 H ATOM 88 HG3 GLU A 95 3.174 4.636 9.470 1.00 0.00 H ATOM 89 H GLU A 95 3.554 5.375 7.988 1.00 0.00 H ATOM 90 N GLU A 96 6.188 7.287 7.969 1.00 1.02 N ATOM 91 CA GLU A 96 7.303 8.075 7.361 1.00 0.94 C ATOM 92 C GLU A 96 6.737 8.977 6.258 1.00 0.79 C ATOM 93 O GLU A 96 7.188 10.090 6.058 1.00 0.82 O ATOM 94 CB GLU A 96 8.252 7.028 6.769 1.00 1.15 C ATOM 95 CG GLU A 96 9.621 7.130 7.447 1.00 1.62 C ATOM 96 CD GLU A 96 10.016 5.764 8.011 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.267 4.867 7.223 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.056 5.636 9.222 1.00 2.78 O ATOM 99 HA GLU A 96 7.813 8.715 8.080 1.00 0.00 H ATOM 100 HB2 GLU A 96 7.840 6.032 6.932 1.00 0.00 H ATOM 101 HB3 GLU A 96 8.363 7.203 5.699 1.00 0.00 H ATOM 102 HG2 GLU A 96 10.365 7.451 6.717 1.00 0.00 H ATOM 103 HG3 GLU A 96 9.572 7.857 8.257 1.00 0.00 H ATOM 104 H GLU A 96 6.047 6.296 7.689 1.00 0.00 H ATOM 105 N LEU A 97 5.735 8.498 5.556 1.00 0.77 N ATOM 106 CA LEU A 97 5.097 9.309 4.468 1.00 0.71 C ATOM 107 C LEU A 97 4.557 10.625 5.043 1.00 0.67 C ATOM 108 O LEU A 97 4.607 11.659 4.403 1.00 0.75 O ATOM 109 CB LEU A 97 3.933 8.443 3.963 1.00 0.80 C ATOM 110 CG LEU A 97 4.283 7.789 2.622 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.513 8.873 1.570 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.545 6.936 2.774 1.00 1.22 C ATOM 113 HA LEU A 97 5.800 9.563 3.675 1.00 0.00 H ATOM 114 HB2 LEU A 97 3.722 7.665 4.696 1.00 0.00 H ATOM 115 HB3 LEU A 97 3.050 9.069 3.836 1.00 0.00 H ATOM 116 HG LEU A 97 3.459 7.150 2.306 1.00 0.00 H ATOM 117 HD21 LEU A 97 6.373 7.568 3.094 1.00 0.00 H ATOM 118 HD22 LEU A 97 5.370 6.160 3.519 1.00 0.00 H ATOM 119 HD23 LEU A 97 5.787 6.474 1.817 1.00 0.00 H ATOM 120 HD11 LEU A 97 3.606 9.468 1.459 1.00 0.00 H ATOM 121 HD12 LEU A 97 5.334 9.516 1.886 1.00 0.00 H ATOM 122 HD13 LEU A 97 4.762 8.406 0.617 1.00 0.00 H ATOM 123 H LEU A 97 5.379 7.542 5.758 1.00 0.00 H ATOM 124 N SER A 98 4.040 10.581 6.249 1.00 0.69 N ATOM 125 CA SER A 98 3.484 11.810 6.895 1.00 0.76 C ATOM 126 C SER A 98 4.545 12.913 6.967 1.00 0.72 C ATOM 127 O SER A 98 4.315 14.025 6.536 1.00 0.77 O ATOM 128 CB SER A 98 3.076 11.368 8.300 1.00 0.92 C ATOM 129 OG SER A 98 2.612 12.495 9.034 1.00 1.57 O ATOM 130 HA SER A 98 2.645 12.221 6.333 1.00 0.00 H ATOM 131 HB2 SER A 98 3.936 10.932 8.808 1.00 0.00 H ATOM 132 HB3 SER A 98 2.281 10.626 8.231 1.00 0.00 H ATOM 133 HG SER A 98 2.348 12.209 9.944 1.00 0.00 H ATOM 134 H SER A 98 4.017 9.677 6.763 1.00 0.00 H ATOM 135 N ASP A 99 5.702 12.611 7.506 1.00 0.80 N ATOM 136 CA ASP A 99 6.783 13.640 7.607 1.00 0.86 C ATOM 137 C ASP A 99 7.184 14.141 6.212 1.00 0.81 C ATOM 138 O ASP A 99 7.412 15.321 6.015 1.00 0.91 O ATOM 139 CB ASP A 99 7.948 12.926 8.288 1.00 1.02 C ATOM 140 CG ASP A 99 8.948 13.957 8.810 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.655 14.577 9.818 1.00 1.83 O ATOM 142 OD2 ASP A 99 9.988 14.109 8.192 1.00 1.79 O ATOM 143 HA ASP A 99 6.464 14.518 8.168 1.00 0.00 H ATOM 144 HB2 ASP A 99 7.572 12.331 9.120 1.00 0.00 H ATOM 145 HB3 ASP A 99 8.443 12.272 7.570 1.00 0.00 H ATOM 146 H ASP A 99 5.869 11.650 7.866 1.00 0.00 H ATOM 147 N LEU A 100 7.245 13.260 5.238 1.00 0.75 N ATOM 148 CA LEU A 100 7.603 13.698 3.853 1.00 0.76 C ATOM 149 C LEU A 100 6.604 14.765 3.372 1.00 0.68 C ATOM 150 O LEU A 100 6.919 15.580 2.532 1.00 0.79 O ATOM 151 CB LEU A 100 7.512 12.433 2.990 1.00 0.86 C ATOM 152 CG LEU A 100 8.306 12.633 1.693 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.735 12.111 1.877 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.633 11.864 0.552 1.00 1.41 C ATOM 155 HA LEU A 100 8.597 14.143 3.800 1.00 0.00 H ATOM 156 HB2 LEU A 100 7.925 11.588 3.541 1.00 0.00 H ATOM 157 HB3 LEU A 100 6.468 12.233 2.749 1.00 0.00 H ATOM 158 HG LEU A 100 8.333 13.696 1.452 1.00 0.00 H ATOM 159 HD21 LEU A 100 7.604 10.803 0.799 1.00 0.00 H ATOM 160 HD22 LEU A 100 6.617 12.235 0.415 1.00 0.00 H ATOM 161 HD23 LEU A 100 8.201 12.009 -0.367 1.00 0.00 H ATOM 162 HD11 LEU A 100 10.219 12.658 2.686 1.00 0.00 H ATOM 163 HD12 LEU A 100 9.704 11.049 2.122 1.00 0.00 H ATOM 164 HD13 LEU A 100 10.295 12.255 0.953 1.00 0.00 H ATOM 165 H LEU A 100 7.044 12.258 5.430 1.00 0.00 H ATOM 166 N PHE A 101 5.402 14.761 3.900 1.00 0.60 N ATOM 167 CA PHE A 101 4.389 15.779 3.485 1.00 0.59 C ATOM 168 C PHE A 101 4.379 16.990 4.445 1.00 0.60 C ATOM 169 O PHE A 101 4.488 18.125 4.023 1.00 0.72 O ATOM 170 CB PHE A 101 3.042 15.045 3.522 1.00 0.61 C ATOM 171 CG PHE A 101 1.980 15.917 2.895 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.842 15.953 1.505 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.139 16.692 3.702 1.00 0.86 C ATOM 174 CE1 PHE A 101 0.865 16.762 0.917 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.161 17.503 3.115 1.00 0.90 C ATOM 176 CZ PHE A 101 0.024 17.538 1.722 1.00 0.69 C ATOM 177 HA PHE A 101 4.610 16.181 2.496 1.00 0.00 H ATOM 178 HB2 PHE A 101 3.121 14.111 2.966 1.00 0.00 H ATOM 179 HB3 PHE A 101 2.773 14.830 4.556 1.00 0.00 H ATOM 180 HD2 PHE A 101 1.246 16.664 4.786 1.00 0.00 H ATOM 181 HE2 PHE A 101 -0.494 18.107 3.742 1.00 0.00 H ATOM 182 HZ PHE A 101 -0.738 18.170 1.265 1.00 0.00 H ATOM 183 HE1 PHE A 101 0.759 16.788 -0.167 1.00 0.00 H ATOM 184 HD1 PHE A 101 2.498 15.349 0.878 1.00 0.00 H ATOM 185 H PHE A 101 5.153 14.045 4.612 1.00 0.00 H ATOM 186 N ARG A 102 4.208 16.750 5.726 1.00 0.67 N ATOM 187 CA ARG A 102 4.137 17.878 6.724 1.00 0.76 C ATOM 188 C ARG A 102 5.476 18.612 6.910 1.00 0.68 C ATOM 189 O ARG A 102 5.498 19.819 7.056 1.00 0.78 O ATOM 190 CB ARG A 102 3.701 17.230 8.051 1.00 0.99 C ATOM 191 CG ARG A 102 4.663 16.097 8.443 1.00 1.30 C ATOM 192 CD ARG A 102 5.552 16.544 9.611 1.00 1.45 C ATOM 193 NE ARG A 102 5.838 15.299 10.381 1.00 2.12 N ATOM 194 CZ ARG A 102 4.963 14.831 11.229 1.00 2.71 C ATOM 195 NH1 ARG A 102 4.916 15.311 12.440 1.00 3.07 N ATOM 196 NH2 ARG A 102 4.142 13.888 10.865 1.00 3.37 N ATOM 197 HA ARG A 102 3.440 18.638 6.371 1.00 0.00 H ATOM 198 HB2 ARG A 102 3.700 17.986 8.836 1.00 0.00 H ATOM 199 HB3 ARG A 102 2.696 16.824 7.938 1.00 0.00 H ATOM 200 HG2 ARG A 102 4.087 15.221 8.742 1.00 0.00 H ATOM 201 HG3 ARG A 102 5.290 15.843 7.588 1.00 0.00 H ATOM 202 HD2 ARG A 102 5.029 17.268 10.235 1.00 0.00 H ATOM 203 HD3 ARG A 102 6.477 16.986 9.241 1.00 0.00 H ATOM 204 HE ARG A 102 6.740 14.801 10.241 1.00 0.00 H ATOM 205 HH12 ARG A 102 4.221 14.941 13.119 1.00 0.00 H ATOM 206 HH11 ARG A 102 5.574 16.064 12.727 1.00 0.00 H ATOM 207 HH22 ARG A 102 3.445 13.516 11.541 1.00 0.00 H ATOM 208 HH21 ARG A 102 4.183 13.507 9.898 1.00 0.00 H ATOM 209 H ARG A 102 4.120 15.768 6.056 1.00 0.00 H ATOM 210 N MET A 103 6.581 17.912 6.934 1.00 0.71 N ATOM 211 CA MET A 103 7.896 18.600 7.144 1.00 0.75 C ATOM 212 C MET A 103 8.483 19.119 5.821 1.00 0.68 C ATOM 213 O MET A 103 9.494 19.797 5.816 1.00 0.83 O ATOM 214 CB MET A 103 8.815 17.536 7.759 1.00 0.93 C ATOM 215 CG MET A 103 9.241 17.978 9.162 1.00 1.27 C ATOM 216 SD MET A 103 11.042 18.151 9.218 1.00 1.82 S ATOM 217 CE MET A 103 11.400 16.588 10.057 1.00 2.43 C ATOM 218 HA MET A 103 7.785 19.473 7.787 1.00 0.00 H ATOM 219 HB2 MET A 103 8.281 16.588 7.823 1.00 0.00 H ATOM 220 HB3 MET A 103 9.699 17.413 7.133 1.00 0.00 H ATOM 221 HG2 MET A 103 8.924 17.232 9.890 1.00 0.00 H ATOM 222 HG3 MET A 103 8.776 18.935 9.399 1.00 0.00 H ATOM 223 HE1 MET A 103 10.905 16.577 11.028 1.00 0.00 H ATOM 224 HE2 MET A 103 11.033 15.760 9.451 1.00 0.00 H ATOM 225 HE3 MET A 103 12.477 16.490 10.195 1.00 0.00 H ATOM 226 H MET A 103 6.547 16.880 6.808 1.00 0.00 H ATOM 227 N PHE A 104 7.877 18.802 4.704 1.00 0.68 N ATOM 228 CA PHE A 104 8.429 19.273 3.394 1.00 0.79 C ATOM 229 C PHE A 104 7.716 20.538 2.887 1.00 0.71 C ATOM 230 O PHE A 104 8.231 21.226 2.028 1.00 0.88 O ATOM 231 CB PHE A 104 8.193 18.113 2.432 1.00 0.94 C ATOM 232 CG PHE A 104 9.302 17.092 2.582 1.00 1.31 C ATOM 233 CD1 PHE A 104 9.577 16.524 3.834 1.00 1.26 C ATOM 234 CD2 PHE A 104 10.054 16.715 1.466 1.00 2.03 C ATOM 235 CE1 PHE A 104 10.604 15.581 3.965 1.00 1.86 C ATOM 236 CE2 PHE A 104 11.080 15.773 1.596 1.00 2.65 C ATOM 237 CZ PHE A 104 11.356 15.206 2.846 1.00 2.56 C ATOM 238 HA PHE A 104 9.481 19.542 3.485 1.00 0.00 H ATOM 239 HB2 PHE A 104 7.235 17.644 2.657 1.00 0.00 H ATOM 240 HB3 PHE A 104 8.181 18.487 1.408 1.00 0.00 H ATOM 241 HD2 PHE A 104 9.841 17.156 0.492 1.00 0.00 H ATOM 242 HE2 PHE A 104 11.665 15.480 0.724 1.00 0.00 H ATOM 243 HZ PHE A 104 12.156 14.473 2.948 1.00 0.00 H ATOM 244 HE1 PHE A 104 10.818 15.139 4.938 1.00 0.00 H ATOM 245 HD1 PHE A 104 8.991 16.816 4.706 1.00 0.00 H ATOM 246 H PHE A 104 7.013 18.224 4.727 1.00 0.00 H ATOM 247 N ASP A 105 6.546 20.856 3.396 1.00 0.61 N ATOM 248 CA ASP A 105 5.833 22.085 2.913 1.00 0.60 C ATOM 249 C ASP A 105 6.643 23.341 3.267 1.00 0.56 C ATOM 250 O ASP A 105 6.530 23.882 4.351 1.00 0.63 O ATOM 251 CB ASP A 105 4.480 22.096 3.634 1.00 0.68 C ATOM 252 CG ASP A 105 3.462 22.865 2.787 1.00 0.86 C ATOM 253 OD1 ASP A 105 3.448 24.082 2.866 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.716 22.227 2.068 1.00 1.45 O ATOM 255 HA ASP A 105 5.706 22.079 1.830 1.00 0.00 H ATOM 256 HB2 ASP A 105 4.135 21.072 3.778 1.00 0.00 H ATOM 257 HB3 ASP A 105 4.588 22.581 4.604 1.00 0.00 H ATOM 258 H ASP A 105 6.116 20.258 4.131 1.00 0.00 H ATOM 259 N LYS A 106 7.459 23.804 2.353 1.00 0.59 N ATOM 260 CA LYS A 106 8.288 25.025 2.617 1.00 0.66 C ATOM 261 C LYS A 106 7.401 26.281 2.676 1.00 0.55 C ATOM 262 O LYS A 106 7.800 27.304 3.198 1.00 0.63 O ATOM 263 CB LYS A 106 9.257 25.098 1.429 1.00 0.87 C ATOM 264 CG LYS A 106 10.179 26.316 1.564 1.00 1.21 C ATOM 265 CD LYS A 106 10.816 26.628 0.202 1.00 1.61 C ATOM 266 CE LYS A 106 10.082 27.797 -0.470 1.00 1.77 C ATOM 267 NZ LYS A 106 8.968 27.176 -1.248 1.00 2.14 N ATOM 268 HA LYS A 106 8.810 24.973 3.573 1.00 0.00 H ATOM 269 HB2 LYS A 106 9.861 24.191 1.402 1.00 0.00 H ATOM 270 HB3 LYS A 106 8.686 25.180 0.504 1.00 0.00 H ATOM 271 HG2 LYS A 106 9.599 27.176 1.900 1.00 0.00 H ATOM 272 HG3 LYS A 106 10.962 26.101 2.291 1.00 0.00 H ATOM 273 HD2 LYS A 106 11.863 26.895 0.346 1.00 0.00 H ATOM 274 HD3 LYS A 106 10.752 25.747 -0.437 1.00 0.00 H ATOM 275 HE2 LYS A 106 10.755 28.338 -1.135 1.00 0.00 H ATOM 276 HE3 LYS A 106 9.687 28.481 0.281 1.00 0.00 H ATOM 277 HZ1 LYS A 106 9.362 26.520 -1.952 1.00 0.00 H ATOM 278 HZ2 LYS A 106 8.342 26.656 -0.600 1.00 0.00 H ATOM 279 HZ3 LYS A 106 8.427 27.921 -1.732 1.00 0.00 H ATOM 280 H LYS A 106 7.533 23.320 1.435 1.00 0.00 H ATOM 281 N ASN A 107 6.206 26.213 2.141 1.00 0.48 N ATOM 282 CA ASN A 107 5.300 27.401 2.157 1.00 0.50 C ATOM 283 C ASN A 107 4.525 27.494 3.488 1.00 0.58 C ATOM 284 O ASN A 107 4.087 28.558 3.879 1.00 0.70 O ATOM 285 CB ASN A 107 4.348 27.159 0.987 1.00 0.54 C ATOM 286 CG ASN A 107 3.770 28.481 0.479 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.328 29.534 0.706 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.668 28.465 -0.217 1.00 0.78 N ATOM 289 HA ASN A 107 5.846 28.340 2.067 1.00 0.00 H ATOM 290 HB2 ASN A 107 4.892 26.671 0.178 1.00 0.00 H ATOM 291 HB3 ASN A 107 3.533 26.514 1.316 1.00 0.00 H ATOM 292 HD22 ASN A 107 2.189 27.563 -0.412 1.00 0.00 H ATOM 293 HD21 ASN A 107 2.268 29.355 -0.577 1.00 0.00 H ATOM 294 H ASN A 107 5.886 25.326 1.702 1.00 0.00 H ATOM 295 N ALA A 108 4.370 26.385 4.182 1.00 0.65 N ATOM 296 CA ALA A 108 3.646 26.367 5.500 1.00 0.84 C ATOM 297 C ALA A 108 2.144 26.689 5.354 1.00 0.78 C ATOM 298 O ALA A 108 1.638 27.607 5.975 1.00 0.96 O ATOM 299 CB ALA A 108 4.350 27.419 6.366 1.00 1.03 C ATOM 300 HA ALA A 108 3.682 25.373 5.946 1.00 0.00 H ATOM 301 HB1 ALA A 108 5.399 27.148 6.483 1.00 0.00 H ATOM 302 HB2 ALA A 108 4.276 28.393 5.883 1.00 0.00 H ATOM 303 HB3 ALA A 108 3.873 27.460 7.345 1.00 0.00 H ATOM 304 H ALA A 108 4.760 25.496 3.808 1.00 0.00 H ATOM 305 N ASP A 109 1.420 25.926 4.566 1.00 0.73 N ATOM 306 CA ASP A 109 -0.053 26.186 4.423 1.00 0.74 C ATOM 307 C ASP A 109 -0.880 24.877 4.480 1.00 0.78 C ATOM 308 O ASP A 109 -2.095 24.920 4.535 1.00 0.96 O ATOM 309 CB ASP A 109 -0.234 26.902 3.070 1.00 0.72 C ATOM 310 CG ASP A 109 0.373 26.099 1.912 1.00 1.15 C ATOM 311 OD1 ASP A 109 0.534 24.900 2.044 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.663 26.707 0.897 1.00 1.95 O ATOM 313 HA ASP A 109 -0.417 26.798 5.248 1.00 0.00 H ATOM 314 HB2 ASP A 109 -1.299 27.040 2.884 1.00 0.00 H ATOM 315 HB3 ASP A 109 0.254 27.875 3.118 1.00 0.00 H ATOM 316 H ASP A 109 1.865 25.145 4.043 1.00 0.00 H ATOM 317 N GLY A 110 -0.244 23.720 4.476 1.00 0.76 N ATOM 318 CA GLY A 110 -1.013 22.435 4.539 1.00 0.85 C ATOM 319 C GLY A 110 -0.951 21.693 3.194 1.00 0.70 C ATOM 320 O GLY A 110 -1.044 20.481 3.149 1.00 0.73 O ATOM 321 HA3 GLY A 110 -2.054 22.653 4.779 1.00 0.00 H ATOM 322 HA2 GLY A 110 -0.587 21.801 5.317 1.00 0.00 H ATOM 323 H GLY A 110 0.795 23.700 4.429 1.00 0.00 H ATOM 324 N TYR A 111 -0.810 22.404 2.100 1.00 0.68 N ATOM 325 CA TYR A 111 -0.761 21.732 0.758 1.00 0.60 C ATOM 326 C TYR A 111 0.521 22.120 0.015 1.00 0.58 C ATOM 327 O TYR A 111 0.808 23.285 -0.160 1.00 0.83 O ATOM 328 CB TYR A 111 -1.985 22.255 -0.005 1.00 0.68 C ATOM 329 CG TYR A 111 -3.243 22.051 0.808 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.608 22.987 1.785 1.00 0.71 C ATOM 331 CD2 TYR A 111 -4.047 20.930 0.580 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.775 22.798 2.534 1.00 0.78 C ATOM 333 CE2 TYR A 111 -5.215 20.741 1.328 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.578 21.675 2.305 1.00 0.80 C ATOM 335 OH TYR A 111 -6.728 21.487 3.044 1.00 0.90 O ATOM 336 HA TYR A 111 -0.768 20.646 0.850 1.00 0.00 H ATOM 337 HB3 TYR A 111 -2.076 21.717 -0.949 1.00 0.00 H ATOM 338 HB2 TYR A 111 -1.856 23.319 -0.205 1.00 0.00 H ATOM 339 HD2 TYR A 111 -3.764 20.203 -0.181 1.00 0.00 H ATOM 340 HE2 TYR A 111 -5.841 19.867 1.150 1.00 0.00 H ATOM 341 HE1 TYR A 111 -5.058 23.525 3.295 1.00 0.00 H ATOM 342 HD1 TYR A 111 -2.983 23.862 1.962 1.00 0.00 H ATOM 343 HH TYR A 111 -6.833 22.235 3.684 1.00 0.00 H ATOM 344 H TYR A 111 -0.732 23.439 2.163 1.00 0.00 H ATOM 345 N ILE A 112 1.288 21.160 -0.435 1.00 0.50 N ATOM 346 CA ILE A 112 2.552 21.498 -1.163 1.00 0.50 C ATOM 347 C ILE A 112 2.231 22.053 -2.559 1.00 0.49 C ATOM 348 O ILE A 112 1.338 21.584 -3.235 1.00 0.66 O ATOM 349 CB ILE A 112 3.332 20.181 -1.249 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.927 19.865 0.132 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.460 20.315 -2.281 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.825 18.626 0.057 1.00 0.66 C ATOM 353 HA ILE A 112 3.131 22.268 -0.654 1.00 0.00 H ATOM 354 HB ILE A 112 2.665 19.376 -1.556 1.00 0.00 H ATOM 355 HG12 ILE A 112 4.517 20.716 0.472 1.00 0.00 H ATOM 356 HG13 ILE A 112 3.118 19.680 0.838 1.00 0.00 H ATOM 357 HD11 ILE A 112 4.237 17.772 -0.280 1.00 0.00 H ATOM 358 HD12 ILE A 112 5.637 18.810 -0.646 1.00 0.00 H ATOM 359 HD13 ILE A 112 5.237 18.417 1.044 1.00 0.00 H ATOM 360 HG21 ILE A 112 4.033 20.547 -3.256 1.00 0.00 H ATOM 361 HG22 ILE A 112 5.134 21.116 -1.978 1.00 0.00 H ATOM 362 HG23 ILE A 112 5.011 19.377 -2.339 1.00 0.00 H ATOM 363 H ILE A 112 1.021 20.166 -0.288 1.00 0.00 H ATOM 364 N ASP A 113 2.949 23.065 -2.979 1.00 0.47 N ATOM 365 CA ASP A 113 2.686 23.677 -4.317 1.00 0.50 C ATOM 366 C ASP A 113 3.877 23.451 -5.263 1.00 0.50 C ATOM 367 O ASP A 113 4.901 22.914 -4.877 1.00 0.57 O ATOM 368 CB ASP A 113 2.480 25.174 -4.033 1.00 0.60 C ATOM 369 CG ASP A 113 1.393 25.358 -2.964 1.00 1.17 C ATOM 370 OD1 ASP A 113 0.347 24.748 -3.097 1.00 1.85 O ATOM 371 OD2 ASP A 113 1.626 26.107 -2.029 1.00 1.77 O ATOM 372 HA ASP A 113 1.820 23.235 -4.810 1.00 0.00 H ATOM 373 HB2 ASP A 113 3.415 25.607 -3.677 1.00 0.00 H ATOM 374 HB3 ASP A 113 2.174 25.678 -4.950 1.00 0.00 H ATOM 375 H ASP A 113 3.707 23.445 -2.377 1.00 0.00 H ATOM 376 N LEU A 114 3.735 23.847 -6.504 1.00 0.52 N ATOM 377 CA LEU A 114 4.831 23.656 -7.515 1.00 0.57 C ATOM 378 C LEU A 114 6.153 24.302 -7.065 1.00 0.63 C ATOM 379 O LEU A 114 7.219 23.757 -7.284 1.00 0.80 O ATOM 380 CB LEU A 114 4.314 24.353 -8.775 1.00 0.62 C ATOM 381 CG LEU A 114 3.259 23.481 -9.456 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.080 24.353 -9.888 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.868 22.808 -10.689 1.00 0.81 C ATOM 384 HA LEU A 114 5.050 22.599 -7.664 1.00 0.00 H ATOM 385 HB2 LEU A 114 3.871 25.311 -8.503 1.00 0.00 H ATOM 386 HB3 LEU A 114 5.143 24.520 -9.462 1.00 0.00 H ATOM 387 HG LEU A 114 2.915 22.718 -8.757 1.00 0.00 H ATOM 388 HD21 LEU A 114 4.212 23.572 -11.386 1.00 0.00 H ATOM 389 HD22 LEU A 114 4.710 22.187 -10.384 1.00 0.00 H ATOM 390 HD23 LEU A 114 3.114 22.187 -11.172 1.00 0.00 H ATOM 391 HD11 LEU A 114 1.645 24.834 -9.012 1.00 0.00 H ATOM 392 HD12 LEU A 114 2.429 25.114 -10.586 1.00 0.00 H ATOM 393 HD13 LEU A 114 1.328 23.731 -10.373 1.00 0.00 H ATOM 394 H LEU A 114 2.847 24.302 -6.795 1.00 0.00 H ATOM 395 N ASP A 115 6.094 25.465 -6.464 1.00 0.61 N ATOM 396 CA ASP A 115 7.349 26.155 -6.027 1.00 0.71 C ATOM 397 C ASP A 115 8.128 25.319 -4.996 1.00 0.65 C ATOM 398 O ASP A 115 9.333 25.190 -5.087 1.00 0.89 O ATOM 399 CB ASP A 115 6.883 27.478 -5.407 1.00 0.80 C ATOM 400 CG ASP A 115 8.097 28.295 -4.960 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.796 28.803 -5.821 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.311 28.395 -3.763 1.00 1.76 O ATOM 403 HA ASP A 115 8.030 26.306 -6.865 1.00 0.00 H ATOM 404 HB2 ASP A 115 6.317 28.045 -6.146 1.00 0.00 H ATOM 405 HB3 ASP A 115 6.248 27.271 -4.545 1.00 0.00 H ATOM 406 H ASP A 115 5.171 25.911 -6.290 1.00 0.00 H ATOM 407 N GLU A 116 7.462 24.767 -4.014 1.00 0.51 N ATOM 408 CA GLU A 116 8.192 23.961 -2.978 1.00 0.48 C ATOM 409 C GLU A 116 8.669 22.615 -3.553 1.00 0.49 C ATOM 410 O GLU A 116 9.724 22.132 -3.193 1.00 0.63 O ATOM 411 CB GLU A 116 7.195 23.737 -1.836 1.00 0.48 C ATOM 412 CG GLU A 116 6.591 25.062 -1.384 1.00 0.57 C ATOM 413 CD GLU A 116 5.197 24.797 -0.844 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.094 24.241 0.237 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.255 25.153 -1.519 1.00 1.36 O ATOM 416 HA GLU A 116 9.085 24.484 -2.635 1.00 0.00 H ATOM 417 HB2 GLU A 116 6.398 23.078 -2.180 1.00 0.00 H ATOM 418 HB3 GLU A 116 7.711 23.273 -0.995 1.00 0.00 H ATOM 419 HG2 GLU A 116 7.211 25.501 -0.603 1.00 0.00 H ATOM 420 HG3 GLU A 116 6.534 25.748 -2.229 1.00 0.00 H ATOM 421 H GLU A 116 6.431 24.886 -3.951 1.00 0.00 H ATOM 422 N LEU A 117 7.915 22.006 -4.445 1.00 0.48 N ATOM 423 CA LEU A 117 8.363 20.693 -5.031 1.00 0.52 C ATOM 424 C LEU A 117 9.711 20.874 -5.744 1.00 0.58 C ATOM 425 O LEU A 117 10.639 20.111 -5.544 1.00 0.69 O ATOM 426 CB LEU A 117 7.295 20.291 -6.058 1.00 0.55 C ATOM 427 CG LEU A 117 5.941 20.051 -5.384 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.838 20.285 -6.414 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.855 18.605 -4.882 1.00 0.53 C ATOM 430 HA LEU A 117 8.483 19.935 -4.257 1.00 0.00 H ATOM 431 HB2 LEU A 117 7.190 21.089 -6.793 1.00 0.00 H ATOM 432 HB3 LEU A 117 7.610 19.376 -6.559 1.00 0.00 H ATOM 433 HG LEU A 117 5.827 20.731 -4.539 1.00 0.00 H ATOM 434 HD21 LEU A 117 5.963 17.922 -5.725 1.00 0.00 H ATOM 435 HD22 LEU A 117 6.652 18.424 -4.161 1.00 0.00 H ATOM 436 HD23 LEU A 117 4.888 18.444 -4.404 1.00 0.00 H ATOM 437 HD11 LEU A 117 4.896 21.310 -6.779 1.00 0.00 H ATOM 438 HD12 LEU A 117 4.967 19.593 -7.246 1.00 0.00 H ATOM 439 HD13 LEU A 117 3.867 20.118 -5.949 1.00 0.00 H ATOM 440 H LEU A 117 7.014 22.430 -4.743 1.00 0.00 H ATOM 441 N LYS A 118 9.814 21.885 -6.576 1.00 0.59 N ATOM 442 CA LYS A 118 11.088 22.144 -7.323 1.00 0.69 C ATOM 443 C LYS A 118 12.225 22.530 -6.358 1.00 0.64 C ATOM 444 O LYS A 118 13.383 22.313 -6.646 1.00 0.73 O ATOM 445 CB LYS A 118 10.745 23.296 -8.295 1.00 0.83 C ATOM 446 CG LYS A 118 11.700 24.484 -8.104 1.00 0.99 C ATOM 447 CD LYS A 118 11.169 25.706 -8.862 1.00 1.35 C ATOM 448 CE LYS A 118 10.071 26.392 -8.039 1.00 1.51 C ATOM 449 NZ LYS A 118 10.598 27.756 -7.732 1.00 1.99 N ATOM 450 HA LYS A 118 11.445 21.262 -7.854 1.00 0.00 H ATOM 451 HB2 LYS A 118 10.827 22.934 -9.320 1.00 0.00 H ATOM 452 HB3 LYS A 118 9.723 23.627 -8.109 1.00 0.00 H ATOM 453 HG2 LYS A 118 11.775 24.721 -7.043 1.00 0.00 H ATOM 454 HG3 LYS A 118 12.686 24.221 -8.487 1.00 0.00 H ATOM 455 HD2 LYS A 118 11.985 26.408 -9.034 1.00 0.00 H ATOM 456 HD3 LYS A 118 10.758 25.387 -9.820 1.00 0.00 H ATOM 457 HE2 LYS A 118 9.883 25.840 -7.118 1.00 0.00 H ATOM 458 HE3 LYS A 118 9.148 26.460 -8.615 1.00 0.00 H ATOM 459 HZ1 LYS A 118 11.482 27.671 -7.191 1.00 0.00 H ATOM 460 HZ2 LYS A 118 10.781 28.264 -8.621 1.00 0.00 H ATOM 461 HZ3 LYS A 118 9.896 28.279 -7.171 1.00 0.00 H ATOM 462 H LYS A 118 8.999 22.516 -6.719 1.00 0.00 H ATOM 463 N ILE A 119 11.906 23.104 -5.224 1.00 0.68 N ATOM 464 CA ILE A 119 12.975 23.505 -4.254 1.00 0.74 C ATOM 465 C ILE A 119 13.283 22.362 -3.268 1.00 0.75 C ATOM 466 O ILE A 119 14.280 22.394 -2.569 1.00 0.85 O ATOM 467 CB ILE A 119 12.401 24.721 -3.512 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.212 25.882 -4.499 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.361 25.155 -2.401 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.366 26.979 -3.847 1.00 1.06 C ATOM 471 HA ILE A 119 13.914 23.735 -4.757 1.00 0.00 H ATOM 472 HB ILE A 119 11.440 24.450 -3.074 1.00 0.00 H ATOM 473 HG12 ILE A 119 13.186 26.289 -4.772 1.00 0.00 H ATOM 474 HG13 ILE A 119 11.708 25.519 -5.394 1.00 0.00 H ATOM 475 HD11 ILE A 119 10.392 26.572 -3.575 1.00 0.00 H ATOM 476 HD12 ILE A 119 11.872 27.342 -2.952 1.00 0.00 H ATOM 477 HD13 ILE A 119 11.234 27.801 -4.551 1.00 0.00 H ATOM 478 HG21 ILE A 119 13.495 24.334 -1.697 1.00 0.00 H ATOM 479 HG22 ILE A 119 14.324 25.421 -2.838 1.00 0.00 H ATOM 480 HG23 ILE A 119 12.946 26.018 -1.880 1.00 0.00 H ATOM 481 H ILE A 119 10.907 23.282 -4.996 1.00 0.00 H ATOM 482 N MET A 120 12.439 21.361 -3.197 1.00 0.85 N ATOM 483 CA MET A 120 12.682 20.232 -2.245 1.00 1.01 C ATOM 484 C MET A 120 13.685 19.224 -2.822 1.00 0.95 C ATOM 485 O MET A 120 14.654 18.868 -2.177 1.00 1.11 O ATOM 486 CB MET A 120 11.315 19.572 -2.053 1.00 1.17 C ATOM 487 CG MET A 120 11.446 18.398 -1.079 1.00 1.52 C ATOM 488 SD MET A 120 12.051 19.003 0.517 1.00 1.88 S ATOM 489 CE MET A 120 10.616 20.026 0.929 1.00 1.43 C ATOM 490 HA MET A 120 13.108 20.586 -1.306 1.00 0.00 H ATOM 491 HB2 MET A 120 10.612 20.302 -1.650 1.00 0.00 H ATOM 492 HB3 MET A 120 10.949 19.209 -3.013 1.00 0.00 H ATOM 493 HG2 MET A 120 12.149 17.668 -1.481 1.00 0.00 H ATOM 494 HG3 MET A 120 10.472 17.927 -0.944 1.00 0.00 H ATOM 495 HE1 MET A 120 10.483 20.789 0.162 1.00 0.00 H ATOM 496 HE2 MET A 120 9.726 19.399 0.977 1.00 0.00 H ATOM 497 HE3 MET A 120 10.777 20.504 1.895 1.00 0.00 H ATOM 498 H MET A 120 11.596 21.352 -3.806 1.00 0.00 H ATOM 499 N LEU A 121 13.455 18.753 -4.023 1.00 0.87 N ATOM 500 CA LEU A 121 14.393 17.757 -4.633 1.00 0.95 C ATOM 501 C LEU A 121 15.764 18.386 -4.933 1.00 0.87 C ATOM 502 O LEU A 121 16.715 17.682 -5.213 1.00 0.97 O ATOM 503 CB LEU A 121 13.710 17.294 -5.923 1.00 1.09 C ATOM 504 CG LEU A 121 13.951 15.795 -6.121 1.00 1.41 C ATOM 505 CD1 LEU A 121 13.093 14.995 -5.135 1.00 2.03 C ATOM 506 CD2 LEU A 121 13.573 15.401 -7.551 1.00 1.80 C ATOM 507 HA LEU A 121 14.588 16.926 -3.954 1.00 0.00 H ATOM 508 HB2 LEU A 121 12.639 17.484 -5.855 1.00 0.00 H ATOM 509 HB3 LEU A 121 14.122 17.843 -6.770 1.00 0.00 H ATOM 510 HG LEU A 121 15.004 15.577 -5.945 1.00 0.00 H ATOM 511 HD21 LEU A 121 12.520 15.626 -7.722 1.00 0.00 H ATOM 512 HD22 LEU A 121 14.185 15.964 -8.256 1.00 0.00 H ATOM 513 HD23 LEU A 121 13.745 14.334 -7.690 1.00 0.00 H ATOM 514 HD11 LEU A 121 13.361 15.271 -4.115 1.00 0.00 H ATOM 515 HD12 LEU A 121 12.040 15.217 -5.309 1.00 0.00 H ATOM 516 HD13 LEU A 121 13.270 13.930 -5.282 1.00 0.00 H ATOM 517 H LEU A 121 12.619 19.071 -4.554 1.00 0.00 H ATOM 518 N GLN A 122 15.883 19.695 -4.867 1.00 0.82 N ATOM 519 CA GLN A 122 17.207 20.349 -5.140 1.00 0.95 C ATOM 520 C GLN A 122 18.304 19.756 -4.241 1.00 1.04 C ATOM 521 O GLN A 122 19.452 19.663 -4.635 1.00 1.19 O ATOM 522 CB GLN A 122 17.004 21.831 -4.811 1.00 1.14 C ATOM 523 CG GLN A 122 16.499 22.570 -6.055 1.00 1.42 C ATOM 524 CD GLN A 122 16.664 24.080 -5.860 1.00 1.85 C ATOM 525 OE1 GLN A 122 17.208 24.756 -6.708 1.00 2.44 O ATOM 526 NE2 GLN A 122 16.212 24.644 -4.772 1.00 2.28 N ATOM 527 HA GLN A 122 17.523 20.195 -6.172 1.00 0.00 H ATOM 528 HB2 GLN A 122 16.272 21.928 -4.009 1.00 0.00 H ATOM 529 HB3 GLN A 122 17.951 22.265 -4.491 1.00 0.00 H ATOM 530 HG2 GLN A 122 17.074 22.252 -6.925 1.00 0.00 H ATOM 531 HG3 GLN A 122 15.446 22.338 -6.212 1.00 0.00 H ATOM 532 HE22 GLN A 122 15.745 24.068 -4.043 1.00 0.00 H ATOM 533 HE21 GLN A 122 16.319 25.669 -4.635 1.00 0.00 H ATOM 534 H GLN A 122 15.057 20.279 -4.625 1.00 0.00 H ATOM 535 N ALA A 123 17.959 19.356 -3.038 1.00 1.09 N ATOM 536 CA ALA A 123 18.980 18.771 -2.110 1.00 1.33 C ATOM 537 C ALA A 123 19.455 17.391 -2.605 1.00 1.38 C ATOM 538 O ALA A 123 20.572 16.989 -2.342 1.00 1.62 O ATOM 539 CB ALA A 123 18.266 18.648 -0.760 1.00 1.45 C ATOM 540 HA ALA A 123 19.872 19.394 -2.047 1.00 0.00 H ATOM 541 HB1 ALA A 123 17.942 19.635 -0.431 1.00 0.00 H ATOM 542 HB2 ALA A 123 17.399 17.996 -0.867 1.00 0.00 H ATOM 543 HB3 ALA A 123 18.951 18.226 -0.025 1.00 0.00 H ATOM 544 H ALA A 123 16.970 19.446 -2.728 1.00 0.00 H ATOM 545 N THR A 124 18.623 16.668 -3.318 1.00 1.29 N ATOM 546 CA THR A 124 19.041 15.318 -3.824 1.00 1.47 C ATOM 547 C THR A 124 19.259 15.331 -5.350 1.00 1.44 C ATOM 548 O THR A 124 19.692 14.348 -5.923 1.00 1.72 O ATOM 549 CB THR A 124 17.891 14.370 -3.449 1.00 1.56 C ATOM 550 OG1 THR A 124 18.267 13.029 -3.738 1.00 2.16 O ATOM 551 CG2 THR A 124 16.632 14.721 -4.246 1.00 1.92 C ATOM 552 HA THR A 124 19.989 15.006 -3.386 1.00 0.00 H ATOM 553 HB THR A 124 17.682 14.476 -2.385 1.00 0.00 H ATOM 554 HG1 THR A 124 18.463 12.944 -4.705 1.00 0.00 H ATOM 555 HG23 THR A 124 16.340 15.748 -4.028 1.00 0.00 H ATOM 556 HG21 THR A 124 16.838 14.619 -5.312 1.00 0.00 H ATOM 557 HG22 THR A 124 15.825 14.045 -3.964 1.00 0.00 H ATOM 558 H THR A 124 17.672 17.031 -3.533 1.00 0.00 H ATOM 559 N GLY A 125 18.965 16.427 -6.016 1.00 1.26 N ATOM 560 CA GLY A 125 19.160 16.478 -7.497 1.00 1.32 C ATOM 561 C GLY A 125 18.376 17.650 -8.100 1.00 1.26 C ATOM 562 O GLY A 125 18.808 18.785 -8.045 1.00 1.63 O ATOM 563 HA3 GLY A 125 18.808 15.545 -7.938 1.00 0.00 H ATOM 564 HA2 GLY A 125 20.220 16.605 -7.716 1.00 0.00 H ATOM 565 H GLY A 125 18.597 17.258 -5.512 1.00 0.00 H ATOM 566 N GLU A 126 17.233 17.374 -8.689 1.00 1.02 N ATOM 567 CA GLU A 126 16.401 18.454 -9.322 1.00 1.08 C ATOM 568 C GLU A 126 17.214 19.226 -10.379 1.00 0.89 C ATOM 569 O GLU A 126 17.164 20.440 -10.458 1.00 0.87 O ATOM 570 CB GLU A 126 15.971 19.371 -8.169 1.00 1.34 C ATOM 571 CG GLU A 126 14.833 20.291 -8.632 1.00 1.45 C ATOM 572 CD GLU A 126 13.543 19.486 -8.812 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.338 18.967 -9.897 1.00 2.09 O ATOM 574 OE2 GLU A 126 12.779 19.406 -7.865 1.00 2.16 O ATOM 575 HA GLU A 126 15.538 18.044 -9.846 1.00 0.00 H ATOM 576 HB2 GLU A 126 15.627 18.763 -7.332 1.00 0.00 H ATOM 577 HB3 GLU A 126 16.820 19.977 -7.852 1.00 0.00 H ATOM 578 HG2 GLU A 126 14.672 21.068 -7.885 1.00 0.00 H ATOM 579 HG3 GLU A 126 15.106 20.752 -9.581 1.00 0.00 H ATOM 580 H GLU A 126 16.898 16.390 -8.717 1.00 0.00 H ATOM 581 N THR A 127 17.951 18.523 -11.203 1.00 1.09 N ATOM 582 CA THR A 127 18.753 19.204 -12.269 1.00 1.21 C ATOM 583 C THR A 127 18.139 18.893 -13.645 1.00 1.29 C ATOM 584 O THR A 127 18.654 18.095 -14.405 1.00 1.60 O ATOM 585 CB THR A 127 20.182 18.640 -12.138 1.00 1.57 C ATOM 586 OG1 THR A 127 20.999 19.176 -13.172 1.00 1.91 O ATOM 587 CG2 THR A 127 20.175 17.108 -12.235 1.00 2.18 C ATOM 588 HA THR A 127 18.761 20.289 -12.165 1.00 0.00 H ATOM 589 HB THR A 127 20.580 18.924 -11.164 1.00 0.00 H ATOM 590 HG1 THR A 127 20.623 18.924 -14.052 1.00 0.00 H ATOM 591 HG23 THR A 127 19.549 16.698 -11.443 1.00 0.00 H ATOM 592 HG21 THR A 127 19.778 16.808 -13.205 1.00 0.00 H ATOM 593 HG22 THR A 127 21.193 16.734 -12.126 1.00 0.00 H ATOM 594 H THR A 127 17.979 17.487 -11.117 1.00 0.00 H ATOM 595 N ILE A 128 17.024 19.509 -13.957 1.00 1.08 N ATOM 596 CA ILE A 128 16.354 19.237 -15.271 1.00 1.20 C ATOM 597 C ILE A 128 15.699 20.507 -15.841 1.00 1.18 C ATOM 598 O ILE A 128 15.948 21.607 -15.383 1.00 1.15 O ATOM 599 CB ILE A 128 15.282 18.162 -14.988 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.821 18.200 -13.520 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.854 16.777 -15.297 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.938 19.427 -13.284 1.00 2.03 C ATOM 603 HA ILE A 128 17.079 18.902 -16.013 1.00 0.00 H ATOM 604 HB ILE A 128 14.422 18.368 -15.625 1.00 0.00 H ATOM 605 HG12 ILE A 128 14.253 17.297 -13.295 1.00 0.00 H ATOM 606 HG13 ILE A 128 15.693 18.251 -12.868 1.00 0.00 H ATOM 607 HD11 ILE A 128 14.506 20.330 -13.507 1.00 0.00 H ATOM 608 HD12 ILE A 128 13.065 19.375 -13.935 1.00 0.00 H ATOM 609 HD13 ILE A 128 13.616 19.446 -12.243 1.00 0.00 H ATOM 610 HG21 ILE A 128 16.146 16.732 -16.346 1.00 0.00 H ATOM 611 HG22 ILE A 128 16.725 16.596 -14.668 1.00 0.00 H ATOM 612 HG23 ILE A 128 15.096 16.019 -15.097 1.00 0.00 H ATOM 613 H ILE A 128 16.603 20.188 -13.291 1.00 0.00 H ATOM 614 N THR A 129 14.869 20.354 -16.847 1.00 1.34 N ATOM 615 CA THR A 129 14.193 21.539 -17.473 1.00 1.42 C ATOM 616 C THR A 129 12.870 21.850 -16.757 1.00 1.16 C ATOM 617 O THR A 129 12.452 21.141 -15.859 1.00 0.97 O ATOM 618 CB THR A 129 13.931 21.130 -18.935 1.00 1.64 C ATOM 619 OG1 THR A 129 15.020 20.355 -19.423 1.00 2.23 O ATOM 620 CG2 THR A 129 13.774 22.378 -19.806 1.00 2.28 C ATOM 621 HA THR A 129 14.806 22.438 -17.404 1.00 0.00 H ATOM 622 HB THR A 129 13.015 20.540 -18.975 1.00 0.00 H ATOM 623 HG1 THR A 129 14.845 20.096 -20.362 1.00 0.00 H ATOM 624 HG23 THR A 129 12.941 22.975 -19.436 1.00 0.00 H ATOM 625 HG21 THR A 129 14.691 22.966 -19.765 1.00 0.00 H ATOM 626 HG22 THR A 129 13.579 22.079 -20.836 1.00 0.00 H ATOM 627 H THR A 129 14.678 19.400 -17.215 1.00 0.00 H ATOM 628 N GLU A 130 12.214 22.917 -17.149 1.00 1.31 N ATOM 629 CA GLU A 130 10.914 23.304 -16.502 1.00 1.28 C ATOM 630 C GLU A 130 9.851 22.198 -16.650 1.00 1.16 C ATOM 631 O GLU A 130 9.039 22.003 -15.766 1.00 1.21 O ATOM 632 CB GLU A 130 10.463 24.593 -17.212 1.00 1.69 C ATOM 633 CG GLU A 130 10.465 24.399 -18.736 1.00 2.05 C ATOM 634 CD GLU A 130 11.459 25.370 -19.377 1.00 2.43 C ATOM 635 OE1 GLU A 130 12.649 25.189 -19.177 1.00 2.70 O ATOM 636 OE2 GLU A 130 11.012 26.276 -20.059 1.00 3.03 O ATOM 637 HA GLU A 130 11.042 23.453 -15.430 1.00 0.00 H ATOM 638 HB2 GLU A 130 9.455 24.849 -16.884 1.00 0.00 H ATOM 639 HB3 GLU A 130 11.145 25.403 -16.953 1.00 0.00 H ATOM 640 HG2 GLU A 130 10.755 23.375 -18.971 1.00 0.00 H ATOM 641 HG3 GLU A 130 9.466 24.591 -19.128 1.00 0.00 H ATOM 642 H GLU A 130 12.599 23.502 -17.918 1.00 0.00 H ATOM 643 N ASP A 131 9.847 21.471 -17.747 1.00 1.18 N ATOM 644 CA ASP A 131 8.829 20.381 -17.919 1.00 1.19 C ATOM 645 C ASP A 131 9.031 19.297 -16.852 1.00 1.07 C ATOM 646 O ASP A 131 8.079 18.776 -16.299 1.00 1.14 O ATOM 647 CB ASP A 131 9.069 19.810 -19.321 1.00 1.44 C ATOM 648 CG ASP A 131 7.764 19.215 -19.860 1.00 1.48 C ATOM 649 OD1 ASP A 131 7.299 18.237 -19.295 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.251 19.747 -20.828 1.00 2.07 O ATOM 651 HA ASP A 131 7.810 20.753 -17.809 1.00 0.00 H ATOM 652 HB2 ASP A 131 9.407 20.606 -19.985 1.00 0.00 H ATOM 653 HB3 ASP A 131 9.830 19.032 -19.271 1.00 0.00 H ATOM 654 H ASP A 131 10.548 21.651 -18.494 1.00 0.00 H ATOM 655 N ASP A 132 10.265 18.972 -16.550 1.00 1.00 N ATOM 656 CA ASP A 132 10.544 17.938 -15.506 1.00 1.03 C ATOM 657 C ASP A 132 9.926 18.367 -14.165 1.00 0.88 C ATOM 658 O ASP A 132 9.466 17.544 -13.395 1.00 1.03 O ATOM 659 CB ASP A 132 12.070 17.876 -15.404 1.00 1.13 C ATOM 660 CG ASP A 132 12.657 17.332 -16.708 1.00 1.39 C ATOM 661 OD1 ASP A 132 12.760 16.124 -16.831 1.00 1.79 O ATOM 662 OD2 ASP A 132 13.005 18.136 -17.559 1.00 1.99 O ATOM 663 HA ASP A 132 10.117 16.967 -15.757 1.00 0.00 H ATOM 664 HB2 ASP A 132 12.461 18.877 -15.221 1.00 0.00 H ATOM 665 HB3 ASP A 132 12.351 17.221 -14.580 1.00 0.00 H ATOM 666 H ASP A 132 11.056 19.437 -17.040 1.00 0.00 H ATOM 667 N ILE A 133 9.890 19.653 -13.894 1.00 0.75 N ATOM 668 CA ILE A 133 9.272 20.141 -12.617 1.00 0.77 C ATOM 669 C ILE A 133 7.794 19.734 -12.592 1.00 0.70 C ATOM 670 O ILE A 133 7.269 19.301 -11.585 1.00 0.82 O ATOM 671 CB ILE A 133 9.394 21.676 -12.650 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.859 22.099 -12.867 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.891 22.258 -11.327 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.760 21.432 -11.825 1.00 1.00 C ATOM 675 HA ILE A 133 9.759 19.723 -11.736 1.00 0.00 H ATOM 676 HB ILE A 133 8.792 22.055 -13.476 1.00 0.00 H ATOM 677 HG12 ILE A 133 11.177 21.798 -13.865 1.00 0.00 H ATOM 678 HG13 ILE A 133 10.939 23.182 -12.773 1.00 0.00 H ATOM 679 HD11 ILE A 133 11.444 21.734 -10.827 1.00 0.00 H ATOM 680 HD12 ILE A 133 11.682 20.349 -11.919 1.00 0.00 H ATOM 681 HD13 ILE A 133 12.793 21.739 -11.990 1.00 0.00 H ATOM 682 HG21 ILE A 133 7.847 21.979 -11.183 1.00 0.00 H ATOM 683 HG22 ILE A 133 9.491 21.863 -10.507 1.00 0.00 H ATOM 684 HG23 ILE A 133 8.978 23.344 -11.353 1.00 0.00 H ATOM 685 H ILE A 133 10.292 20.335 -14.568 1.00 0.00 H ATOM 686 N GLU A 134 7.131 19.866 -13.713 1.00 0.61 N ATOM 687 CA GLU A 134 5.690 19.491 -13.806 1.00 0.64 C ATOM 688 C GLU A 134 5.525 17.966 -13.927 1.00 0.64 C ATOM 689 O GLU A 134 4.449 17.443 -13.715 1.00 0.76 O ATOM 690 CB GLU A 134 5.193 20.185 -15.076 1.00 0.73 C ATOM 691 CG GLU A 134 4.411 21.444 -14.699 1.00 0.89 C ATOM 692 CD GLU A 134 2.966 21.065 -14.364 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.286 20.562 -15.244 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.564 21.278 -13.233 1.00 1.86 O ATOM 695 HA GLU A 134 5.131 19.791 -12.920 1.00 0.00 H ATOM 696 HB2 GLU A 134 6.045 20.459 -15.697 1.00 0.00 H ATOM 697 HB3 GLU A 134 4.544 19.507 -15.630 1.00 0.00 H ATOM 698 HG2 GLU A 134 4.874 21.914 -13.831 1.00 0.00 H ATOM 699 HG3 GLU A 134 4.419 22.142 -15.536 1.00 0.00 H ATOM 700 H GLU A 134 7.617 20.239 -14.553 1.00 0.00 H ATOM 701 N GLU A 135 6.578 17.250 -14.264 1.00 0.59 N ATOM 702 CA GLU A 135 6.472 15.760 -14.394 1.00 0.67 C ATOM 703 C GLU A 135 5.950 15.154 -13.089 1.00 0.74 C ATOM 704 O GLU A 135 4.983 14.416 -13.087 1.00 0.91 O ATOM 705 CB GLU A 135 7.893 15.271 -14.690 1.00 0.72 C ATOM 706 CG GLU A 135 7.845 14.171 -15.756 1.00 1.16 C ATOM 707 CD GLU A 135 7.362 14.760 -17.083 1.00 1.56 C ATOM 708 OE1 GLU A 135 8.120 15.491 -17.697 1.00 2.29 O ATOM 709 OE2 GLU A 135 6.236 14.476 -17.459 1.00 2.03 O ATOM 710 HA GLU A 135 5.778 15.466 -15.181 1.00 0.00 H ATOM 711 HB2 GLU A 135 8.495 16.103 -15.054 1.00 0.00 H ATOM 712 HB3 GLU A 135 8.338 14.874 -13.778 1.00 0.00 H ATOM 713 HG2 GLU A 135 8.842 13.750 -15.888 1.00 0.00 H ATOM 714 HG3 GLU A 135 7.159 13.386 -15.437 1.00 0.00 H ATOM 715 H GLU A 135 7.488 17.721 -14.441 1.00 0.00 H ATOM 716 N LEU A 136 6.566 15.475 -11.977 1.00 0.73 N ATOM 717 CA LEU A 136 6.081 14.928 -10.674 1.00 0.87 C ATOM 718 C LEU A 136 4.733 15.579 -10.320 1.00 0.81 C ATOM 719 O LEU A 136 3.851 14.938 -9.782 1.00 1.00 O ATOM 720 CB LEU A 136 7.166 15.282 -9.639 1.00 0.99 C ATOM 721 CG LEU A 136 8.486 14.527 -9.923 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.111 14.066 -8.598 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.238 13.301 -10.810 1.00 1.75 C ATOM 724 HA LEU A 136 5.920 13.850 -10.705 1.00 0.00 H ATOM 725 HB2 LEU A 136 7.356 16.355 -9.677 1.00 0.00 H ATOM 726 HB3 LEU A 136 6.810 15.012 -8.645 1.00 0.00 H ATOM 727 HG LEU A 136 9.162 15.206 -10.443 1.00 0.00 H ATOM 728 HD21 LEU A 136 7.548 12.623 -10.307 1.00 0.00 H ATOM 729 HD22 LEU A 136 7.807 13.622 -11.758 1.00 0.00 H ATOM 730 HD23 LEU A 136 9.183 12.790 -10.993 1.00 0.00 H ATOM 731 HD11 LEU A 136 9.317 14.935 -7.973 1.00 0.00 H ATOM 732 HD12 LEU A 136 8.417 13.402 -8.082 1.00 0.00 H ATOM 733 HD13 LEU A 136 10.041 13.535 -8.802 1.00 0.00 H ATOM 734 H LEU A 136 7.390 16.109 -12.002 1.00 0.00 H ATOM 735 N MET A 137 4.562 16.847 -10.630 1.00 0.67 N ATOM 736 CA MET A 137 3.266 17.535 -10.326 1.00 0.71 C ATOM 737 C MET A 137 2.089 16.857 -11.050 1.00 0.68 C ATOM 738 O MET A 137 0.971 16.900 -10.578 1.00 0.70 O ATOM 739 CB MET A 137 3.439 18.970 -10.831 1.00 0.82 C ATOM 740 CG MET A 137 2.379 19.870 -10.187 1.00 0.99 C ATOM 741 SD MET A 137 2.848 20.214 -8.475 1.00 0.94 S ATOM 742 CE MET A 137 1.223 20.739 -7.878 1.00 0.53 C ATOM 743 HA MET A 137 3.040 17.495 -9.261 1.00 0.00 H ATOM 744 HB2 MET A 137 4.433 19.331 -10.566 1.00 0.00 H ATOM 745 HB3 MET A 137 3.324 18.990 -11.915 1.00 0.00 H ATOM 746 HG2 MET A 137 1.413 19.366 -10.206 1.00 0.00 H ATOM 747 HG3 MET A 137 2.310 20.806 -10.741 1.00 0.00 H ATOM 748 HE1 MET A 137 0.891 21.607 -8.448 1.00 0.00 H ATOM 749 HE2 MET A 137 0.510 19.924 -8.005 1.00 0.00 H ATOM 750 HE3 MET A 137 1.292 21.001 -6.822 1.00 0.00 H ATOM 751 H MET A 137 5.332 17.375 -11.089 1.00 0.00 H ATOM 752 N LYS A 138 2.324 16.236 -12.185 1.00 0.76 N ATOM 753 CA LYS A 138 1.202 15.562 -12.921 1.00 0.82 C ATOM 754 C LYS A 138 0.611 14.426 -12.073 1.00 0.72 C ATOM 755 O LYS A 138 -0.588 14.335 -11.896 1.00 0.84 O ATOM 756 CB LYS A 138 1.826 14.993 -14.200 1.00 0.99 C ATOM 757 CG LYS A 138 1.940 16.091 -15.264 1.00 1.57 C ATOM 758 CD LYS A 138 3.266 15.941 -16.024 1.00 2.09 C ATOM 759 CE LYS A 138 3.489 17.166 -16.919 1.00 2.74 C ATOM 760 NZ LYS A 138 4.816 16.950 -17.575 1.00 3.43 N ATOM 761 HA LYS A 138 0.392 16.258 -13.140 1.00 0.00 H ATOM 762 HB2 LYS A 138 2.819 14.604 -13.975 1.00 0.00 H ATOM 763 HB3 LYS A 138 1.199 14.186 -14.580 1.00 0.00 H ATOM 764 HG2 LYS A 138 1.109 16.005 -15.964 1.00 0.00 H ATOM 765 HG3 LYS A 138 1.907 17.068 -14.782 1.00 0.00 H ATOM 766 HD2 LYS A 138 4.086 15.859 -15.310 1.00 0.00 H ATOM 767 HD3 LYS A 138 3.231 15.043 -16.640 1.00 0.00 H ATOM 768 HE2 LYS A 138 3.504 18.077 -16.321 1.00 0.00 H ATOM 769 HE3 LYS A 138 2.701 17.238 -17.669 1.00 0.00 H ATOM 770 HZ1 LYS A 138 5.554 16.874 -16.846 1.00 0.00 H ATOM 771 HZ2 LYS A 138 4.787 16.073 -18.133 1.00 0.00 H ATOM 772 HZ3 LYS A 138 5.027 17.754 -18.201 1.00 0.00 H ATOM 773 H LYS A 138 3.288 16.212 -12.574 1.00 0.00 H ATOM 774 N ASP A 139 1.444 13.561 -11.548 1.00 0.75 N ATOM 775 CA ASP A 139 0.923 12.435 -10.714 1.00 0.78 C ATOM 776 C ASP A 139 0.471 12.951 -9.338 1.00 0.70 C ATOM 777 O ASP A 139 -0.497 12.465 -8.782 1.00 0.81 O ATOM 778 CB ASP A 139 2.087 11.445 -10.588 1.00 0.97 C ATOM 779 CG ASP A 139 1.542 10.015 -10.588 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.976 9.617 -11.593 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.693 9.343 -9.584 1.00 1.69 O ATOM 782 HA ASP A 139 0.051 11.960 -11.163 1.00 0.00 H ATOM 783 HB2 ASP A 139 2.768 11.575 -11.429 1.00 0.00 H ATOM 784 HB3 ASP A 139 2.623 11.630 -9.657 1.00 0.00 H ATOM 785 H ASP A 139 2.466 13.658 -11.711 1.00 0.00 H ATOM 786 N GLY A 140 1.145 13.941 -8.793 1.00 0.64 N ATOM 787 CA GLY A 140 0.730 14.495 -7.467 1.00 0.62 C ATOM 788 C GLY A 140 -0.567 15.291 -7.648 1.00 0.57 C ATOM 789 O GLY A 140 -1.471 15.212 -6.841 1.00 0.65 O ATOM 790 HA3 GLY A 140 1.512 15.150 -7.083 1.00 0.00 H ATOM 791 HA2 GLY A 140 0.564 13.678 -6.764 1.00 0.00 H ATOM 792 H GLY A 140 1.969 14.340 -9.286 1.00 0.00 H ATOM 793 N ASP A 141 -0.656 16.048 -8.713 1.00 0.56 N ATOM 794 CA ASP A 141 -1.877 16.858 -8.988 1.00 0.56 C ATOM 795 C ASP A 141 -2.353 16.601 -10.424 1.00 0.58 C ATOM 796 O ASP A 141 -1.994 17.317 -11.341 1.00 0.64 O ATOM 797 CB ASP A 141 -1.420 18.316 -8.828 1.00 0.60 C ATOM 798 CG ASP A 141 -2.626 19.241 -8.628 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.712 18.888 -9.058 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.442 20.292 -8.040 1.00 1.23 O ATOM 801 HA ASP A 141 -2.705 16.613 -8.323 1.00 0.00 H ATOM 802 HB2 ASP A 141 -0.762 18.392 -7.962 1.00 0.00 H ATOM 803 HB3 ASP A 141 -0.878 18.622 -9.723 1.00 0.00 H ATOM 804 H ASP A 141 0.141 16.085 -9.380 1.00 0.00 H ATOM 805 N LYS A 142 -3.159 15.589 -10.628 1.00 0.62 N ATOM 806 CA LYS A 142 -3.656 15.299 -12.011 1.00 0.70 C ATOM 807 C LYS A 142 -4.618 16.404 -12.480 1.00 0.79 C ATOM 808 O LYS A 142 -4.868 16.553 -13.662 1.00 0.92 O ATOM 809 CB LYS A 142 -4.376 13.952 -11.910 1.00 0.79 C ATOM 810 CG LYS A 142 -3.420 12.830 -12.328 1.00 0.88 C ATOM 811 CD LYS A 142 -3.276 11.829 -11.177 1.00 1.37 C ATOM 812 CE LYS A 142 -2.193 10.803 -11.520 1.00 1.79 C ATOM 813 NZ LYS A 142 -1.747 10.248 -10.209 1.00 2.44 N ATOM 814 HA LYS A 142 -2.845 15.265 -12.738 1.00 0.00 H ATOM 815 HB2 LYS A 142 -4.701 13.789 -10.882 1.00 0.00 H ATOM 816 HB3 LYS A 142 -5.245 13.954 -12.568 1.00 0.00 H ATOM 817 HG2 LYS A 142 -3.818 12.321 -13.206 1.00 0.00 H ATOM 818 HG3 LYS A 142 -2.444 13.253 -12.567 1.00 0.00 H ATOM 819 HD2 LYS A 142 -2.997 12.360 -10.267 1.00 0.00 H ATOM 820 HD3 LYS A 142 -4.225 11.316 -11.021 1.00 0.00 H ATOM 821 HE2 LYS A 142 -1.361 11.283 -12.035 1.00 0.00 H ATOM 822 HE3 LYS A 142 -2.601 10.013 -12.150 1.00 0.00 H ATOM 823 HZ1 LYS A 142 -1.371 11.017 -9.618 1.00 0.00 H ATOM 824 HZ2 LYS A 142 -2.556 9.804 -9.729 1.00 0.00 H ATOM 825 HZ3 LYS A 142 -1.004 9.538 -10.369 1.00 0.00 H ATOM 826 H LYS A 142 -3.453 14.988 -9.832 1.00 0.00 H ATOM 827 N ASN A 143 -5.140 17.194 -11.568 1.00 0.80 N ATOM 828 CA ASN A 143 -6.065 18.303 -11.971 1.00 0.95 C ATOM 829 C ASN A 143 -5.248 19.554 -12.326 1.00 0.92 C ATOM 830 O ASN A 143 -5.711 20.422 -13.041 1.00 1.08 O ATOM 831 CB ASN A 143 -6.967 18.597 -10.756 1.00 1.07 C ATOM 832 CG ASN A 143 -7.201 17.335 -9.919 1.00 1.36 C ATOM 833 OD1 ASN A 143 -7.932 16.452 -10.316 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.606 17.217 -8.764 1.00 1.70 N ATOM 835 HA ASN A 143 -6.659 18.023 -12.841 1.00 0.00 H ATOM 836 HB2 ASN A 143 -6.489 19.353 -10.133 1.00 0.00 H ATOM 837 HB3 ASN A 143 -7.927 18.973 -11.109 1.00 0.00 H ATOM 838 HD22 ASN A 143 -5.979 17.973 -8.422 1.00 0.00 H ATOM 839 HD21 ASN A 143 -6.759 16.367 -8.185 1.00 0.00 H ATOM 840 H ASN A 143 -4.911 17.049 -10.564 1.00 0.00 H ATOM 841 N ASN A 144 -4.035 19.643 -11.820 1.00 0.86 N ATOM 842 CA ASN A 144 -3.156 20.820 -12.098 1.00 0.93 C ATOM 843 C ASN A 144 -3.764 22.109 -11.526 1.00 1.03 C ATOM 844 O ASN A 144 -3.731 23.153 -12.151 1.00 1.71 O ATOM 845 CB ASN A 144 -3.028 20.892 -13.625 1.00 1.08 C ATOM 846 CG ASN A 144 -1.628 21.388 -13.993 1.00 1.49 C ATOM 847 OD1 ASN A 144 -1.418 22.571 -14.168 1.00 2.18 O ATOM 848 ND2 ASN A 144 -0.656 20.529 -14.116 1.00 1.97 N ATOM 849 HA ASN A 144 -2.180 20.713 -11.624 1.00 0.00 H ATOM 850 HB2 ASN A 144 -3.187 19.901 -14.051 1.00 0.00 H ATOM 851 HB3 ASN A 144 -3.774 21.581 -14.021 1.00 0.00 H ATOM 852 HD22 ASN A 144 -0.836 19.516 -13.966 1.00 0.00 H ATOM 853 HD21 ASN A 144 0.299 20.857 -14.364 1.00 0.00 H ATOM 854 H ASN A 144 -3.681 18.877 -11.213 1.00 0.00 H ATOM 855 N ASP A 145 -4.298 22.048 -10.328 1.00 0.88 N ATOM 856 CA ASP A 145 -4.884 23.281 -9.709 1.00 0.92 C ATOM 857 C ASP A 145 -3.779 24.105 -9.023 1.00 0.91 C ATOM 858 O ASP A 145 -3.886 25.311 -8.904 1.00 1.07 O ATOM 859 CB ASP A 145 -5.952 22.819 -8.691 1.00 0.93 C ATOM 860 CG ASP A 145 -5.463 21.631 -7.854 1.00 1.40 C ATOM 861 OD1 ASP A 145 -4.683 21.846 -6.943 1.00 2.06 O ATOM 862 OD2 ASP A 145 -5.894 20.524 -8.130 1.00 1.89 O ATOM 863 HA ASP A 145 -5.340 23.921 -10.464 1.00 0.00 H ATOM 864 HB2 ASP A 145 -6.186 23.649 -8.024 1.00 0.00 H ATOM 865 HB3 ASP A 145 -6.851 22.524 -9.232 1.00 0.00 H ATOM 866 H ASP A 145 -4.314 21.146 -9.810 1.00 0.00 H ATOM 867 N GLY A 146 -2.712 23.470 -8.589 1.00 0.84 N ATOM 868 CA GLY A 146 -1.597 24.225 -7.932 1.00 0.92 C ATOM 869 C GLY A 146 -1.567 23.951 -6.424 1.00 0.66 C ATOM 870 O GLY A 146 -1.178 24.801 -5.649 1.00 0.74 O ATOM 871 HA3 GLY A 146 -1.741 25.292 -8.099 1.00 0.00 H ATOM 872 HA2 GLY A 146 -0.648 23.915 -8.371 1.00 0.00 H ATOM 873 H GLY A 146 -2.642 22.439 -8.702 1.00 0.00 H ATOM 874 N ARG A 147 -1.967 22.777 -5.999 1.00 0.56 N ATOM 875 CA ARG A 147 -1.949 22.464 -4.537 1.00 0.54 C ATOM 876 C ARG A 147 -1.965 20.947 -4.320 1.00 0.46 C ATOM 877 O ARG A 147 -2.761 20.239 -4.906 1.00 0.45 O ATOM 878 CB ARG A 147 -3.217 23.116 -3.974 1.00 0.77 C ATOM 879 CG ARG A 147 -2.912 23.741 -2.611 1.00 1.39 C ATOM 880 CD ARG A 147 -2.958 25.268 -2.720 1.00 1.79 C ATOM 881 NE ARG A 147 -2.004 25.761 -1.682 1.00 2.55 N ATOM 882 CZ ARG A 147 -1.680 27.022 -1.640 1.00 2.87 C ATOM 883 NH1 ARG A 147 -0.966 27.546 -2.594 1.00 3.37 N ATOM 884 NH2 ARG A 147 -2.074 27.760 -0.645 1.00 3.10 N ATOM 885 HA ARG A 147 -1.053 22.839 -4.042 1.00 0.00 H ATOM 886 HB2 ARG A 147 -3.562 23.890 -4.659 1.00 0.00 H ATOM 887 HB3 ARG A 147 -3.994 22.360 -3.861 1.00 0.00 H ATOM 888 HG2 ARG A 147 -3.653 23.407 -1.885 1.00 0.00 H ATOM 889 HG3 ARG A 147 -1.920 23.431 -2.284 1.00 0.00 H ATOM 890 HD2 ARG A 147 -3.964 25.636 -2.521 1.00 0.00 H ATOM 891 HD3 ARG A 147 -2.644 25.591 -3.713 1.00 0.00 H ATOM 892 HE ARG A 147 -1.598 25.097 -0.992 1.00 0.00 H ATOM 893 HH12 ARG A 147 -0.709 28.553 -2.558 1.00 0.00 H ATOM 894 HH11 ARG A 147 -0.653 26.958 -3.392 1.00 0.00 H ATOM 895 HH22 ARG A 147 -1.816 28.767 -0.610 1.00 0.00 H ATOM 896 HH21 ARG A 147 -2.647 27.344 0.116 1.00 0.00 H ATOM 897 H ARG A 147 -2.297 22.063 -6.679 1.00 0.00 H ATOM 898 N ILE A 148 -1.080 20.444 -3.497 1.00 0.49 N ATOM 899 CA ILE A 148 -1.025 18.967 -3.259 1.00 0.44 C ATOM 900 C ILE A 148 -1.448 18.625 -1.824 1.00 0.46 C ATOM 901 O ILE A 148 -0.913 19.148 -0.865 1.00 0.63 O ATOM 902 CB ILE A 148 0.442 18.583 -3.506 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.886 19.099 -4.880 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.593 17.062 -3.480 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.336 18.687 -5.144 1.00 0.63 C ATOM 906 HA ILE A 148 -1.707 18.422 -3.912 1.00 0.00 H ATOM 907 HB ILE A 148 1.058 19.027 -2.725 1.00 0.00 H ATOM 908 HG12 ILE A 148 0.243 18.675 -5.651 1.00 0.00 H ATOM 909 HG13 ILE A 148 0.809 20.186 -4.901 1.00 0.00 H ATOM 910 HD11 ILE A 148 2.979 19.112 -4.373 1.00 0.00 H ATOM 911 HD12 ILE A 148 2.413 17.600 -5.124 1.00 0.00 H ATOM 912 HD13 ILE A 148 2.645 19.057 -6.122 1.00 0.00 H ATOM 913 HG21 ILE A 148 0.281 16.684 -2.507 1.00 0.00 H ATOM 914 HG22 ILE A 148 -0.030 16.623 -4.259 1.00 0.00 H ATOM 915 HG23 ILE A 148 1.636 16.799 -3.656 1.00 0.00 H ATOM 916 H ILE A 148 -0.412 21.073 -3.007 1.00 0.00 H ATOM 917 N ASP A 149 -2.406 17.741 -1.684 1.00 0.48 N ATOM 918 CA ASP A 149 -2.888 17.331 -0.325 1.00 0.53 C ATOM 919 C ASP A 149 -2.426 15.898 -0.015 1.00 0.53 C ATOM 920 O ASP A 149 -1.931 15.199 -0.881 1.00 0.63 O ATOM 921 CB ASP A 149 -4.418 17.404 -0.422 1.00 0.58 C ATOM 922 CG ASP A 149 -5.048 16.963 0.902 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.906 17.685 1.874 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.654 15.906 0.922 1.00 1.65 O ATOM 925 HA ASP A 149 -2.499 17.965 0.472 1.00 0.00 H ATOM 926 HB2 ASP A 149 -4.718 18.429 -0.641 1.00 0.00 H ATOM 927 HB3 ASP A 149 -4.761 16.748 -1.222 1.00 0.00 H ATOM 928 H ASP A 149 -2.839 17.317 -2.530 1.00 0.00 H ATOM 929 N TYR A 150 -2.580 15.455 1.211 1.00 0.58 N ATOM 930 CA TYR A 150 -2.146 14.065 1.567 1.00 0.60 C ATOM 931 C TYR A 150 -2.910 13.021 0.734 1.00 0.59 C ATOM 932 O TYR A 150 -2.341 12.032 0.311 1.00 0.63 O ATOM 933 CB TYR A 150 -2.454 13.900 3.058 1.00 0.73 C ATOM 934 CG TYR A 150 -1.468 12.924 3.665 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.734 11.547 3.632 1.00 1.15 C ATOM 936 CD2 TYR A 150 -0.287 13.392 4.256 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.821 10.642 4.188 1.00 1.43 C ATOM 938 CE2 TYR A 150 0.625 12.486 4.811 1.00 1.56 C ATOM 939 CZ TYR A 150 0.359 11.111 4.778 1.00 1.48 C ATOM 940 OH TYR A 150 1.260 10.220 5.326 1.00 1.96 O ATOM 941 HA TYR A 150 -1.087 13.914 1.358 1.00 0.00 H ATOM 942 HB3 TYR A 150 -3.468 13.519 3.181 1.00 0.00 H ATOM 943 HB2 TYR A 150 -2.367 14.865 3.558 1.00 0.00 H ATOM 944 HD2 TYR A 150 -0.078 14.461 4.284 1.00 0.00 H ATOM 945 HE2 TYR A 150 1.544 12.851 5.270 1.00 0.00 H ATOM 946 HE1 TYR A 150 -1.029 9.572 4.161 1.00 0.00 H ATOM 947 HD1 TYR A 150 -2.652 11.181 3.173 1.00 0.00 H ATOM 948 HH TYR A 150 0.918 9.297 5.217 1.00 0.00 H ATOM 949 H TYR A 150 -3.003 16.069 1.936 1.00 0.00 H ATOM 950 N ASP A 151 -4.187 13.234 0.488 1.00 0.64 N ATOM 951 CA ASP A 151 -4.969 12.248 -0.333 1.00 0.70 C ATOM 952 C ASP A 151 -4.302 12.074 -1.707 1.00 0.63 C ATOM 953 O ASP A 151 -4.046 10.967 -2.146 1.00 0.77 O ATOM 954 CB ASP A 151 -6.372 12.852 -0.472 1.00 0.79 C ATOM 955 CG ASP A 151 -7.356 11.765 -0.910 1.00 1.24 C ATOM 956 OD1 ASP A 151 -7.810 11.024 -0.054 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.635 11.692 -2.094 1.00 1.90 O ATOM 958 HA ASP A 151 -5.011 11.261 0.128 1.00 0.00 H ATOM 959 HB2 ASP A 151 -6.687 13.263 0.487 1.00 0.00 H ATOM 960 HB3 ASP A 151 -6.353 13.647 -1.218 1.00 0.00 H ATOM 961 H ASP A 151 -4.654 14.085 0.862 1.00 0.00 H ATOM 962 N GLU A 152 -3.991 13.162 -2.372 1.00 0.54 N ATOM 963 CA GLU A 152 -3.309 13.070 -3.704 1.00 0.56 C ATOM 964 C GLU A 152 -1.868 12.566 -3.514 1.00 0.52 C ATOM 965 O GLU A 152 -1.308 11.922 -4.382 1.00 0.65 O ATOM 966 CB GLU A 152 -3.319 14.497 -4.253 1.00 0.60 C ATOM 967 CG GLU A 152 -4.684 14.786 -4.886 1.00 0.77 C ATOM 968 CD GLU A 152 -4.722 16.222 -5.407 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.797 17.127 -4.592 1.00 1.17 O ATOM 970 OE2 GLU A 152 -4.677 16.396 -6.613 1.00 1.40 O ATOM 971 HA GLU A 152 -3.804 12.376 -4.383 1.00 0.00 H ATOM 972 HB2 GLU A 152 -3.137 15.201 -3.441 1.00 0.00 H ATOM 973 HB3 GLU A 152 -2.538 14.603 -5.006 1.00 0.00 H ATOM 974 HG2 GLU A 152 -4.852 14.096 -5.713 1.00 0.00 H ATOM 975 HG3 GLU A 152 -5.465 14.652 -4.138 1.00 0.00 H ATOM 976 H GLU A 152 -4.219 14.095 -1.972 1.00 0.00 H ATOM 977 N PHE A 153 -1.280 12.841 -2.370 1.00 0.46 N ATOM 978 CA PHE A 153 0.114 12.370 -2.083 1.00 0.46 C ATOM 979 C PHE A 153 0.187 10.843 -2.231 1.00 0.50 C ATOM 980 O PHE A 153 1.143 10.305 -2.756 1.00 0.64 O ATOM 981 CB PHE A 153 0.370 12.791 -0.628 1.00 0.49 C ATOM 982 CG PHE A 153 1.846 13.022 -0.399 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.505 14.054 -1.076 1.00 0.52 C ATOM 984 CD2 PHE A 153 2.554 12.209 0.496 1.00 0.62 C ATOM 985 CE1 PHE A 153 3.870 14.273 -0.860 1.00 0.61 C ATOM 986 CE2 PHE A 153 3.919 12.430 0.711 1.00 0.73 C ATOM 987 CZ PHE A 153 4.576 13.463 0.033 1.00 0.68 C ATOM 988 HA PHE A 153 0.854 12.790 -2.765 1.00 0.00 H ATOM 989 HB2 PHE A 153 -0.175 13.712 -0.419 1.00 0.00 H ATOM 990 HB3 PHE A 153 0.021 12.004 0.041 1.00 0.00 H ATOM 991 HD2 PHE A 153 2.042 11.405 1.024 1.00 0.00 H ATOM 992 HE2 PHE A 153 4.471 11.798 1.407 1.00 0.00 H ATOM 993 HZ PHE A 153 5.639 13.636 0.202 1.00 0.00 H ATOM 994 HE1 PHE A 153 4.383 15.076 -1.389 1.00 0.00 H ATOM 995 HD1 PHE A 153 1.955 14.688 -1.772 1.00 0.00 H ATOM 996 H PHE A 153 -1.791 13.394 -1.653 1.00 0.00 H ATOM 997 N LEU A 154 -0.833 10.147 -1.783 1.00 0.53 N ATOM 998 CA LEU A 154 -0.856 8.654 -1.905 1.00 0.62 C ATOM 999 C LEU A 154 -0.847 8.246 -3.387 1.00 0.65 C ATOM 1000 O LEU A 154 -0.136 7.344 -3.789 1.00 0.83 O ATOM 1001 CB LEU A 154 -2.176 8.221 -1.248 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.919 7.583 0.125 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -0.854 6.490 0.003 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -1.446 8.651 1.116 1.00 1.20 C ATOM 1005 HA LEU A 154 0.010 8.189 -1.434 1.00 0.00 H ATOM 1006 HB2 LEU A 154 -2.816 9.094 -1.122 1.00 0.00 H ATOM 1007 HB3 LEU A 154 -2.675 7.496 -1.891 1.00 0.00 H ATOM 1008 HG LEU A 154 -2.847 7.141 0.487 1.00 0.00 H ATOM 1009 HD21 LEU A 154 -0.523 9.101 0.750 1.00 0.00 H ATOM 1010 HD22 LEU A 154 -2.213 9.419 1.214 1.00 0.00 H ATOM 1011 HD23 LEU A 154 -1.266 8.190 2.087 1.00 0.00 H ATOM 1012 HD11 LEU A 154 -1.200 5.723 -0.690 1.00 0.00 H ATOM 1013 HD12 LEU A 154 0.073 6.927 -0.369 1.00 0.00 H ATOM 1014 HD13 LEU A 154 -0.679 6.044 0.982 1.00 0.00 H ATOM 1015 H LEU A 154 -1.634 10.638 -1.338 1.00 0.00 H ATOM 1016 N GLU A 155 -1.638 8.912 -4.196 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.696 8.584 -5.658 1.00 0.81 C ATOM 1018 C GLU A 155 -0.346 8.860 -6.340 1.00 0.76 C ATOM 1019 O GLU A 155 0.021 8.192 -7.287 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.777 9.511 -6.227 1.00 0.97 C ATOM 1021 CG GLU A 155 -4.038 8.701 -6.552 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.995 8.234 -8.011 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.894 9.080 -8.885 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.066 7.037 -8.229 1.00 2.77 O ATOM 1025 HA GLU A 155 -1.919 7.530 -5.827 1.00 0.00 H ATOM 1026 HB2 GLU A 155 -3.019 10.279 -5.492 1.00 0.00 H ATOM 1027 HB3 GLU A 155 -2.406 9.984 -7.136 1.00 0.00 H ATOM 1028 HG2 GLU A 155 -4.090 7.833 -5.895 1.00 0.00 H ATOM 1029 HG3 GLU A 155 -4.919 9.325 -6.397 1.00 0.00 H ATOM 1030 H GLU A 155 -2.232 9.677 -3.818 1.00 0.00 H ATOM 1031 N PHE A 156 0.386 9.842 -5.872 1.00 0.66 N ATOM 1032 CA PHE A 156 1.705 10.169 -6.498 1.00 0.77 C ATOM 1033 C PHE A 156 2.762 9.095 -6.186 1.00 0.71 C ATOM 1034 O PHE A 156 3.575 8.765 -7.028 1.00 0.88 O ATOM 1035 CB PHE A 156 2.116 11.511 -5.887 1.00 0.84 C ATOM 1036 CG PHE A 156 3.492 11.881 -6.383 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.653 12.418 -7.662 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.606 11.672 -5.568 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.928 12.748 -8.127 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.881 12.004 -6.031 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.042 12.542 -7.312 1.00 1.53 C ATOM 1042 HA PHE A 156 1.626 10.211 -7.584 1.00 0.00 H ATOM 1043 HB2 PHE A 156 1.403 12.280 -6.182 1.00 0.00 H ATOM 1044 HB3 PHE A 156 2.130 11.428 -4.800 1.00 0.00 H ATOM 1045 HD2 PHE A 156 4.481 11.250 -4.571 1.00 0.00 H ATOM 1046 HE2 PHE A 156 6.751 11.844 -5.394 1.00 0.00 H ATOM 1047 HZ PHE A 156 7.037 12.800 -7.674 1.00 0.00 H ATOM 1048 HE1 PHE A 156 5.053 13.166 -9.126 1.00 0.00 H ATOM 1049 HD1 PHE A 156 2.783 12.580 -8.298 1.00 0.00 H ATOM 1050 H PHE A 156 0.048 10.397 -5.060 1.00 0.00 H ATOM 1051 N MET A 157 2.773 8.562 -4.984 1.00 0.61 N ATOM 1052 CA MET A 157 3.798 7.522 -4.621 1.00 0.69 C ATOM 1053 C MET A 157 3.837 6.380 -5.651 1.00 0.83 C ATOM 1054 O MET A 157 4.868 5.772 -5.865 1.00 1.17 O ATOM 1055 CB MET A 157 3.370 6.980 -3.258 1.00 0.84 C ATOM 1056 CG MET A 157 3.772 7.963 -2.157 1.00 0.92 C ATOM 1057 SD MET A 157 5.382 7.483 -1.480 1.00 1.56 S ATOM 1058 CE MET A 157 6.340 8.847 -2.183 1.00 0.90 C ATOM 1059 HA MET A 157 4.798 7.956 -4.601 1.00 0.00 H ATOM 1060 HB2 MET A 157 2.288 6.846 -3.246 1.00 0.00 H ATOM 1061 HB3 MET A 157 3.856 6.021 -3.081 1.00 0.00 H ATOM 1062 HG2 MET A 157 3.024 7.947 -1.364 1.00 0.00 H ATOM 1063 HG3 MET A 157 3.837 8.968 -2.573 1.00 0.00 H ATOM 1064 HE1 MET A 157 6.266 8.819 -3.270 1.00 0.00 H ATOM 1065 HE2 MET A 157 5.945 9.794 -1.815 1.00 0.00 H ATOM 1066 HE3 MET A 157 7.384 8.747 -1.886 1.00 0.00 H ATOM 1067 H MET A 157 2.069 8.861 -4.280 1.00 0.00 H ATOM 1068 N LYS A 158 2.728 6.079 -6.282 1.00 0.86 N ATOM 1069 CA LYS A 158 2.713 4.973 -7.294 1.00 1.07 C ATOM 1070 C LYS A 158 3.466 5.396 -8.565 1.00 1.36 C ATOM 1071 O LYS A 158 4.154 4.602 -9.177 1.00 1.73 O ATOM 1072 CB LYS A 158 1.234 4.728 -7.611 1.00 1.28 C ATOM 1073 CG LYS A 158 0.496 4.275 -6.346 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.665 5.232 -6.056 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.802 4.992 -7.058 1.00 2.85 C ATOM 1076 NZ LYS A 158 -1.533 5.914 -8.202 1.00 3.52 N ATOM 1077 HA LYS A 158 3.202 4.075 -6.916 1.00 0.00 H ATOM 1078 HB2 LYS A 158 0.786 5.650 -7.980 1.00 0.00 H ATOM 1079 HB3 LYS A 158 1.151 3.954 -8.374 1.00 0.00 H ATOM 1080 HG2 LYS A 158 0.107 3.267 -6.494 1.00 0.00 H ATOM 1081 HG3 LYS A 158 1.187 4.277 -5.503 1.00 0.00 H ATOM 1082 HD2 LYS A 158 -1.032 5.059 -5.044 1.00 0.00 H ATOM 1083 HD3 LYS A 158 -0.316 6.261 -6.144 1.00 0.00 H ATOM 1084 HE2 LYS A 158 -2.765 5.222 -6.603 1.00 0.00 H ATOM 1085 HE3 LYS A 158 -1.799 3.956 -7.396 1.00 0.00 H ATOM 1086 HZ1 LYS A 158 -1.530 6.896 -7.861 1.00 0.00 H ATOM 1087 HZ2 LYS A 158 -0.607 5.687 -8.618 1.00 0.00 H ATOM 1088 HZ3 LYS A 158 -2.275 5.798 -8.921 1.00 0.00 H ATOM 1089 H LYS A 158 1.856 6.609 -6.080 1.00 0.00 H ATOM 1090 N GLY A 159 3.335 6.638 -8.969 1.00 1.73 N ATOM 1091 CA GLY A 159 4.037 7.109 -10.203 1.00 2.35 C ATOM 1092 C GLY A 159 5.504 7.425 -9.891 1.00 2.13 C ATOM 1093 O GLY A 159 6.395 7.051 -10.632 1.00 2.59 O ATOM 1094 HA3 GLY A 159 3.546 8.008 -10.576 1.00 0.00 H ATOM 1095 HA2 GLY A 159 3.990 6.330 -10.964 1.00 0.00 H ATOM 1096 H GLY A 159 2.740 7.298 -8.428 1.00 0.00 H ATOM 1097 N VAL A 160 5.764 8.110 -8.804 1.00 1.87 N ATOM 1098 CA VAL A 160 7.179 8.449 -8.449 1.00 1.87 C ATOM 1099 C VAL A 160 7.913 7.218 -7.893 1.00 2.39 C ATOM 1100 O VAL A 160 9.121 7.113 -8.003 1.00 3.11 O ATOM 1101 CB VAL A 160 7.080 9.561 -7.394 1.00 1.68 C ATOM 1102 CG1 VAL A 160 6.823 8.962 -6.006 1.00 1.89 C ATOM 1103 CG2 VAL A 160 8.392 10.352 -7.371 1.00 1.76 C ATOM 1104 HA VAL A 160 7.749 8.774 -9.319 1.00 0.00 H ATOM 1105 HB VAL A 160 6.251 10.220 -7.651 1.00 0.00 H ATOM 1106 HG11 VAL A 160 5.888 8.402 -6.021 1.00 0.00 H ATOM 1107 HG12 VAL A 160 7.643 8.294 -5.742 1.00 0.00 H ATOM 1108 HG13 VAL A 160 6.756 9.765 -5.272 1.00 0.00 H ATOM 1109 HG21 VAL A 160 9.214 9.682 -7.121 1.00 0.00 H ATOM 1110 HG22 VAL A 160 8.566 10.793 -8.353 1.00 0.00 H ATOM 1111 HG23 VAL A 160 8.325 11.142 -6.623 1.00 0.00 H ATOM 1112 H VAL A 160 4.986 8.419 -8.187 1.00 0.00 H ATOM 1113 N GLU A 161 7.190 6.290 -7.301 1.00 2.52 N ATOM 1114 CA GLU A 161 7.828 5.059 -6.732 1.00 3.28 C ATOM 1115 C GLU A 161 8.856 5.439 -5.646 1.00 3.90 C ATOM 1116 O GLU A 161 8.537 6.287 -4.828 1.00 4.34 O ATOM 1117 CB GLU A 161 8.491 4.361 -7.933 1.00 3.49 C ATOM 1118 CG GLU A 161 7.746 3.060 -8.249 1.00 4.11 C ATOM 1119 CD GLU A 161 8.315 1.921 -7.400 1.00 4.29 C ATOM 1120 OE1 GLU A 161 8.026 1.887 -6.215 1.00 4.60 O ATOM 1121 OE2 GLU A 161 9.027 1.098 -7.951 1.00 4.56 O ATOM 1122 HA GLU A 161 7.109 4.401 -6.244 1.00 0.00 H ATOM 1123 OXT GLU A 161 9.934 4.865 -5.635 1.00 4.37 O ATOM 1124 HB2 GLU A 161 8.455 5.020 -8.801 1.00 0.00 H ATOM 1125 HB3 GLU A 161 9.530 4.135 -7.693 1.00 0.00 H ATOM 1126 HG2 GLU A 161 6.687 3.185 -8.025 1.00 0.00 H ATOM 1127 HG3 GLU A 161 7.867 2.820 -9.305 1.00 0.00 H ATOM 1128 H GLU A 161 6.160 6.413 -7.227 1.00 0.00 H TER 1129 GLU A 161 HETATM 1130 CA CA A 1 2.524 24.880 0.359 1.00 0.75 CA HETATM 1131 CA CA A 2 -4.432 19.099 -6.409 1.00 0.00 CA HETATM 1132 C1 STL A 3 12.730 11.861 -1.797 1.00 0.08 C HETATM 1133 C2 STL A 3 13.317 10.728 -2.393 1.00 -0.01 C HETATM 1134 C3 STL A 3 12.840 10.253 -3.624 1.00 0.08 C HETATM 1135 C4 STL A 3 11.772 10.910 -4.265 1.00 -0.04 C HETATM 1136 C5 STL A 3 11.172 12.035 -3.675 1.00 -0.05 C HETATM 1137 C6 STL A 3 11.657 12.518 -2.446 1.00 -0.04 C HETATM 1138 H STL A 3 11.206 13.400 -1.992 1.00 0.04 H HETATM 1139 C7 STL A 3 10.086 12.683 -4.250 1.00 -0.07 C HETATM 1140 C8 STL A 3 8.978 13.185 -3.544 1.00 -0.06 C HETATM 1141 C9 STL A 3 7.868 13.850 -4.049 1.00 -0.03 C HETATM 1142 C10 STL A 3 7.886 14.578 -5.263 1.00 -0.06 C HETATM 1143 C11 STL A 3 6.719 15.254 -5.695 1.00 -0.03 C HETATM 1144 C12 STL A 3 5.560 15.173 -4.888 1.00 0.09 C HETATM 1145 C13 STL A 3 5.533 14.445 -3.677 1.00 -0.03 C HETATM 1146 C14 STL A 3 6.696 13.779 -3.256 1.00 -0.06 C HETATM 1147 H STL A 3 6.697 13.211 -2.325 1.00 0.06 H HETATM 1148 H STL A 3 4.623 14.401 -3.078 1.00 0.06 H HETATM 1149 O1 STL A 3 4.433 15.813 -5.290 1.00 -0.33 O HETATM 1150 H STL A 3 4.600 16.261 -6.122 1.00 0.25 H HETATM 1151 H STL A 3 6.714 15.822 -6.625 1.00 0.06 H HETATM 1152 H STL A 3 8.795 14.618 -5.863 1.00 0.06 H HETATM 1153 H STL A 3 8.992 13.033 -2.465 1.00 0.06 H HETATM 1154 H STL A 3 10.093 12.812 -5.332 1.00 0.06 H HETATM 1155 H STL A 3 11.409 10.543 -5.225 1.00 0.04 H HETATM 1156 O2 STL A 3 13.400 9.160 -4.206 1.00 -0.34 O HETATM 1157 H STL A 3 14.109 8.831 -3.649 1.00 0.25 H HETATM 1158 H STL A 3 14.143 10.219 -1.897 1.00 0.05 H HETATM 1159 O3 STL A 3 13.188 12.323 -0.610 1.00 -0.34 O HETATM 1160 H STL A 3 13.912 11.768 -0.309 1.00 0.25 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 311 310 1130 CONECT 312 310 1130 CONECT 327 326 1130 CONECT 414 413 1130 CONECT 862 860 1131 CONECT 877 876 1131 CONECT 969 968 1131 CONECT 970 968 1131 CONECT 1130 311 312 327 414 CONECT 1131 862 877 969 970 CONECT 1132 1133 1137 1159 CONECT 1133 1132 1134 1158 CONECT 1134 1133 1135 1156 CONECT 1135 1134 1136 1155 CONECT 1136 1135 1137 1139 CONECT 1137 1132 1136 1138 CONECT 1138 1137 CONECT 1139 1136 1140 1154 CONECT 1140 1139 1141 1153 CONECT 1141 1140 1142 1146 CONECT 1142 1141 1143 1152 CONECT 1143 1142 1144 1151 CONECT 1144 1143 1145 1149 CONECT 1145 1144 1146 1148 CONECT 1146 1141 1145 1147 CONECT 1147 1146 CONECT 1148 1145 CONECT 1149 1144 1150 CONECT 1150 1149 CONECT 1151 1143 CONECT 1152 1142 CONECT 1153 1140 CONECT 1154 1139 CONECT 1155 1135 CONECT 1156 1134 1157 CONECT 1157 1156 CONECT 1158 1133 CONECT 1159 1132 1160 CONECT 1160 1159 MASTER 0 0 0 0 0 0 0 0 1159 1 43 6 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 2l98
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ih0
RCSB PDB
PDBbind
71aa, >1IH0_1|Chain... at 100%
2kdh
RCSB PDB
PDBbind
72aa, >2KDH_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3fts
RCSB PDB
PDBbind
STL
4jaz
RCSB PDB
PDBbind
STL
4q93
RCSB PDB
PDBbind
STL
4qer
RCSB PDB
PDBbind
STL
Entry Information
PDB ID
2l98
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Troponin C, slow skeletal and cardiac muscles
Ligand Name
STL
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=243uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Biochemistry Vol. 50: pp. 1309-1320
Ligand Properties
Formula
C
1
4
H
1
2
O
3
Molecular Weight
228.243
Exact Mass
228.079
No. of atoms
29
No. of bonds
30
Polar Surface Area
60.69
LOGP Value
3.13 (
Computed with XLOGP3
)
2.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
Oc1ccc(cc1)/C=C/c1cc(O)cc(c1)O
InChI String
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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):
P63316
Entrez Gene ID
NCBI Entrez Gene ID:
7134
ASD
Information of known allosteric effects of PDB entries
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