Browse entries in the PDBbind-CN Database
HEADER 4JOJ_COMPLEX COMPND 4JOJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 GLY PRO ILE ARG LYS VAL LEU LEU LEU LYS GLU ASP HIS SEQRES 2 A 87 GLU GLY LEU GLY ILE SER ILE THR GLY GLY LYS GLU HIS SEQRES 3 A 87 GLY VAL PRO ILE LEU ILE SER GLU ILE HIS PRO GLY GLN SEQRES 4 A 87 PRO ALA ASP ARG CYS GLY GLY LEU HIS VAL GLY ASP ALA SEQRES 5 A 87 ILE LEU ALA VAL ASN GLY VAL ASN LEU ARG ASP THR LYS SEQRES 6 A 87 HIS LYS GLU ALA VAL THR ILE LEU SER GLN GLN ARG GLY SEQRES 7 A 87 GLU ILE GLU PHE GLU VAL VAL TYR VAL HET SER A 213 135 ATOM 1 N GLY A 284 7.558 19.090 -1.865 1.00 11.02 N ATOM 2 CA GLY A 284 6.597 18.050 -2.172 1.00 10.44 C ATOM 3 C GLY A 284 5.184 18.578 -2.044 1.00 8.25 C ATOM 4 O GLY A 284 4.982 19.777 -1.839 1.00 8.50 O ATOM 5 HN3 GLY A 284 7.408 19.422 -0.891 1.00 0.00 H ATOM 6 HN2 GLY A 284 7.432 19.883 -2.526 1.00 0.00 H ATOM 7 HN1 GLY A 284 8.521 18.709 -1.958 1.00 0.00 H ATOM 8 N PRO A 285 4.194 17.692 -2.157 1.00 9.41 N ATOM 9 CA PRO A 285 2.796 18.106 -2.044 1.00 8.84 C ATOM 10 C PRO A 285 2.446 18.449 -0.600 1.00 9.29 C ATOM 11 O PRO A 285 2.948 17.825 0.334 1.00 9.18 O ATOM 12 CB PRO A 285 2.032 16.847 -2.467 1.00 11.89 C ATOM 13 CG PRO A 285 2.952 15.724 -2.117 1.00 13.02 C ATOM 14 CD PRO A 285 4.333 16.240 -2.376 1.00 11.03 C ATOM 15 N ILE A 286 1.590 19.436 -0.405 1.00 8.78 N ATOM 16 CA ILE A 286 1.036 19.661 0.919 1.00 10.41 C ATOM 17 C ILE A 286 0.128 18.486 1.292 1.00 9.77 C ATOM 18 O ILE A 286 -0.673 18.014 0.465 1.00 10.82 O ATOM 19 CB ILE A 286 0.280 20.992 0.969 1.00 9.32 C ATOM 20 CG1 ILE A 286 1.250 22.144 0.686 1.00 12.74 C ATOM 21 CG2 ILE A 286 -0.380 21.175 2.320 1.00 10.56 C ATOM 22 CD1 ILE A 286 0.599 23.503 0.594 1.00 12.95 C ATOM 23 H ILE A 286 1.313 20.050 -1.197 1.00 0.00 H ATOM 24 N ARG A 287 0.272 18.001 2.525 1.00 8.49 N ATOM 25 CA ARG A 287 -0.479 16.851 3.025 1.00 9.48 C ATOM 26 C ARG A 287 -1.267 17.229 4.268 1.00 7.52 C ATOM 27 O ARG A 287 -0.817 18.042 5.081 1.00 9.37 O ATOM 28 CB ARG A 287 0.466 15.713 3.428 1.00 10.20 C ATOM 29 CG ARG A 287 1.130 14.986 2.282 1.00 16.75 C ATOM 30 CD ARG A 287 2.618 14.822 2.524 1.00 13.23 C ATOM 31 NE ARG A 287 2.952 14.246 3.834 1.00 9.80 N ATOM 32 CZ ARG A 287 4.031 14.592 4.528 1.00 8.74 C ATOM 33 NH1 ARG A 287 4.858 15.512 4.053 1.00 8.87 N ATOM 34 NH2 ARG A 287 4.279 14.036 5.704 1.00 8.02 N ATOM 35 HE ARG A 287 2.312 13.532 4.238 1.00 0.00 H ATOM 36 HH12 ARG A 287 5.702 15.783 4.596 1.00 0.00 H ATOM 37 HH11 ARG A 287 4.663 15.964 3.137 1.00 0.00 H ATOM 38 HH22 ARG A 287 5.126 14.312 6.241 1.00 0.00 H ATOM 39 HH21 ARG A 287 3.627 13.323 6.090 1.00 0.00 H ATOM 40 H ARG A 287 0.952 18.463 3.162 1.00 0.00 H ATOM 41 N LYS A 288 -2.433 16.618 4.439 1.00 8.77 N ATOM 42 CA LYS A 288 -3.146 16.684 5.714 1.00 9.18 C ATOM 43 C LYS A 288 -3.023 15.342 6.413 1.00 7.69 C ATOM 44 O LYS A 288 -3.257 14.303 5.795 1.00 10.27 O ATOM 45 CB LYS A 288 -4.612 17.080 5.510 1.00 13.45 C ATOM 46 CG LYS A 288 -4.759 18.515 5.008 1.00 21.43 C ATOM 47 CD LYS A 288 -6.172 19.053 5.139 1.00 31.58 C ATOM 48 CE LYS A 288 -6.193 20.548 4.854 1.00 36.81 C ATOM 49 NZ LYS A 288 -7.568 21.118 4.873 1.00 40.49 N ATOM 50 HZ1 LYS A 288 -8.147 20.647 4.149 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -7.992 20.966 5.810 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -7.522 22.138 4.673 1.00 0.00 H ATOM 53 H LYS A 288 -2.848 16.082 3.650 1.00 0.00 H ATOM 54 N VAL A 289 -2.636 15.369 7.685 1.00 6.32 N ATOM 55 CA VAL A 289 -2.321 14.167 8.442 1.00 6.09 C ATOM 56 C VAL A 289 -3.036 14.193 9.785 1.00 6.40 C ATOM 57 O VAL A 289 -3.005 15.210 10.481 1.00 7.56 O ATOM 58 CB VAL A 289 -0.794 14.075 8.692 1.00 7.27 C ATOM 59 CG1 VAL A 289 -0.444 12.894 9.588 1.00 7.82 C ATOM 60 CG2 VAL A 289 -0.028 14.013 7.363 1.00 9.21 C ATOM 61 H VAL A 289 -2.555 16.291 8.160 1.00 0.00 H ATOM 62 N LEU A 290 -3.661 13.084 10.166 1.00 5.30 N ATOM 63 CA LEU A 290 -4.346 12.972 11.452 1.00 5.93 C ATOM 64 C LEU A 290 -3.471 12.273 12.487 1.00 5.25 C ATOM 65 O LEU A 290 -2.866 11.239 12.203 1.00 6.50 O ATOM 66 CB LEU A 290 -5.649 12.191 11.262 1.00 6.15 C ATOM 67 CG LEU A 290 -6.521 11.984 12.496 1.00 6.78 C ATOM 68 CD1 LEU A 290 -7.048 13.321 13.006 1.00 10.30 C ATOM 69 CD2 LEU A 290 -7.668 11.031 12.185 1.00 8.64 C ATOM 70 H LEU A 290 -3.663 12.265 9.525 1.00 0.00 H ATOM 71 N LEU A 291 -3.419 12.839 13.689 1.00 5.71 N ATOM 72 CA LEU A 291 -2.683 12.266 14.807 1.00 5.34 C ATOM 73 C LEU A 291 -3.643 12.096 15.972 1.00 5.19 C ATOM 74 O LEU A 291 -4.450 12.988 16.249 1.00 6.37 O ATOM 75 CB LEU A 291 -1.511 13.185 15.173 1.00 6.40 C ATOM 76 CG LEU A 291 -0.623 12.835 16.369 1.00 6.14 C ATOM 77 CD1 LEU A 291 0.763 13.434 16.162 1.00 6.80 C ATOM 78 CD2 LEU A 291 -1.231 13.314 17.680 1.00 6.74 C ATOM 79 H LEU A 291 -3.928 13.734 13.838 1.00 0.00 H ATOM 80 N LEU A 292 -3.597 10.931 16.614 1.00 5.05 N ATOM 81 CA LEU A 292 -4.390 10.648 17.820 1.00 5.94 C ATOM 82 C LEU A 292 -3.458 10.584 19.024 1.00 6.28 C ATOM 83 O LEU A 292 -2.538 9.767 19.059 1.00 7.12 O ATOM 84 CB LEU A 292 -5.162 9.331 17.685 1.00 6.19 C ATOM 85 CG LEU A 292 -6.576 9.432 17.115 1.00 7.73 C ATOM 86 CD1 LEU A 292 -6.620 10.178 15.799 1.00 8.52 C ATOM 87 CD2 LEU A 292 -7.196 8.046 16.969 1.00 8.34 C ATOM 88 H LEU A 292 -2.971 10.186 16.246 1.00 0.00 H ATOM 89 N LYS A 293 -3.710 11.446 20.010 1.00 8.52 N ATOM 90 CA LYS A 293 -2.864 11.621 21.198 1.00 12.40 C ATOM 91 C LYS A 293 -3.739 11.398 22.425 1.00 11.07 C ATOM 92 O LYS A 293 -4.867 11.890 22.482 1.00 8.84 O ATOM 93 CB LYS A 293 -2.297 13.065 21.244 1.00 16.81 C ATOM 94 CG LYS A 293 -1.214 13.346 22.317 1.00 13.41 C ATOM 95 CD LYS A 293 -0.751 14.799 22.350 1.00 11.88 C ATOM 96 CE LYS A 293 -1.647 15.685 23.179 1.00 11.04 C ATOM 97 NZ LYS A 293 -1.833 15.088 24.517 1.00 9.71 N ATOM 98 HZ1 LYS A 293 -2.269 14.149 24.419 1.00 0.00 H ATOM 99 HZ2 LYS A 293 -0.909 14.995 24.985 1.00 0.00 H ATOM 100 HZ3 LYS A 293 -2.451 15.701 25.086 1.00 0.00 H ATOM 101 H LYS A 293 -4.564 12.035 19.932 1.00 0.00 H ATOM 102 N GLU A 294 -3.227 10.659 23.403 1.00 10.58 N ATOM 103 CA GLU A 294 -3.913 10.537 24.677 1.00 11.28 C ATOM 104 C GLU A 294 -3.430 11.660 25.613 1.00 8.70 C ATOM 105 O GLU A 294 -2.358 12.235 25.411 1.00 6.34 O ATOM 106 CB GLU A 294 -3.692 9.143 25.277 1.00 8.33 C ATOM 107 CG GLU A 294 -4.014 7.984 24.327 1.00 11.80 C ATOM 108 CD GLU A 294 -5.472 7.931 23.863 1.00 6.78 C ATOM 109 OE1 GLU A 294 -6.347 8.631 24.422 1.00 8.89 O ATOM 110 OE2 GLU A 294 -5.741 7.163 22.914 1.00 9.84 O ATOM 111 H GLU A 294 -2.325 10.163 23.255 1.00 0.00 H ATOM 112 N ASP A 295 -4.228 11.983 26.624 1.00 8.28 N ATOM 113 CA ASP A 295 -3.979 13.155 27.437 1.00 9.66 C ATOM 114 C ASP A 295 -2.715 13.090 28.313 1.00 8.85 C ATOM 115 O ASP A 295 -2.251 14.112 28.804 1.00 10.97 O ATOM 116 CB ASP A 295 -5.209 13.471 28.286 1.00 10.83 C ATOM 117 CG ASP A 295 -6.385 13.970 27.464 1.00 14.20 C ATOM 118 OD1 ASP A 295 -6.200 14.381 26.294 1.00 13.77 O ATOM 119 OD2 ASP A 295 -7.510 13.977 28.006 1.00 17.08 O ATOM 120 H ASP A 295 -5.049 11.381 26.836 1.00 0.00 H ATOM 121 N HIS A 296 -2.156 11.901 28.485 1.00 7.14 N ATOM 122 CA HIS A 296 -0.949 11.734 29.289 1.00 6.77 C ATOM 123 C HIS A 296 0.326 11.850 28.456 1.00 5.75 C ATOM 124 O HIS A 296 1.423 11.727 28.994 1.00 6.95 O ATOM 125 CB HIS A 296 -0.980 10.377 29.993 1.00 7.04 C ATOM 126 CG HIS A 296 -0.805 9.223 29.065 1.00 6.42 C ATOM 127 ND1 HIS A 296 -1.725 8.914 28.087 1.00 8.46 N ATOM 128 CD2 HIS A 296 0.192 8.315 28.951 1.00 8.64 C ATOM 129 CE1 HIS A 296 -1.304 7.853 27.419 1.00 9.99 C ATOM 130 NE2 HIS A 296 -0.143 7.473 27.921 1.00 8.90 N ATOM 131 H HIS A 296 -2.587 11.067 28.037 1.00 0.00 H ATOM 132 N GLU A 297 0.171 12.091 27.157 1.00 5.52 N ATOM 133 CA GLU A 297 1.275 12.062 26.193 1.00 6.99 C ATOM 134 C GLU A 297 1.570 13.433 25.611 1.00 5.66 C ATOM 135 O GLU A 297 0.699 14.306 25.583 1.00 6.44 O ATOM 136 CB GLU A 297 0.903 11.160 25.015 1.00 8.28 C ATOM 137 CG GLU A 297 0.616 9.731 25.387 1.00 8.46 C ATOM 138 CD GLU A 297 0.375 8.885 24.166 1.00 7.82 C ATOM 139 OE1 GLU A 297 -0.691 9.044 23.539 1.00 10.56 O ATOM 140 OE2 GLU A 297 1.281 8.103 23.832 1.00 11.89 O ATOM 141 H GLU A 297 -0.783 12.311 26.807 1.00 0.00 H ATOM 142 N GLY A 298 2.797 13.614 25.128 1.00 6.09 N ATOM 143 CA GLY A 298 3.086 14.700 24.213 1.00 6.19 C ATOM 144 C GLY A 298 2.859 14.256 22.772 1.00 4.63 C ATOM 145 O GLY A 298 2.329 13.171 22.499 1.00 6.05 O ATOM 146 H GLY A 298 3.560 12.966 25.411 1.00 0.00 H ATOM 147 N LEU A 299 3.265 15.096 21.828 1.00 5.17 N ATOM 148 CA LEU A 299 3.139 14.764 20.415 1.00 5.48 C ATOM 149 C LEU A 299 4.156 13.722 19.972 1.00 5.37 C ATOM 150 O LEU A 299 3.890 12.955 19.040 1.00 6.72 O ATOM 151 CB LEU A 299 3.294 16.025 19.569 1.00 5.82 C ATOM 152 CG LEU A 299 2.142 17.016 19.701 1.00 5.70 C ATOM 153 CD1 LEU A 299 2.495 18.340 19.071 1.00 8.30 C ATOM 154 CD2 LEU A 299 0.883 16.457 19.075 1.00 7.13 C ATOM 155 H LEU A 299 3.681 16.009 22.102 1.00 0.00 H ATOM 156 N GLY A 300 5.325 13.695 20.597 1.00 5.04 N ATOM 157 CA GLY A 300 6.371 12.784 20.157 1.00 6.15 C ATOM 158 C GLY A 300 7.207 13.306 18.996 1.00 6.02 C ATOM 159 O GLY A 300 7.659 12.525 18.145 1.00 6.36 O ATOM 160 H GLY A 300 5.495 14.327 21.405 1.00 0.00 H ATOM 161 N ILE A 301 7.413 14.619 18.948 1.00 5.96 N ATOM 162 CA ILE A 301 8.273 15.201 17.929 1.00 6.45 C ATOM 163 C ILE A 301 9.222 16.205 18.545 1.00 5.90 C ATOM 164 O ILE A 301 8.973 16.745 19.633 1.00 7.22 O ATOM 165 CB ILE A 301 7.492 15.867 16.790 1.00 8.10 C ATOM 166 CG1 ILE A 301 6.717 17.074 17.296 1.00 8.58 C ATOM 167 CG2 ILE A 301 6.555 14.878 16.123 1.00 10.70 C ATOM 168 CD1 ILE A 301 5.995 17.810 16.183 1.00 9.20 C ATOM 169 H ILE A 301 6.954 15.237 19.647 1.00 0.00 H ATOM 170 N SER A 302 10.332 16.442 17.863 1.00 5.95 N ATOM 171 CA SER A 302 11.133 17.626 18.134 1.00 6.63 C ATOM 172 C SER A 302 10.956 18.577 16.972 1.00 6.63 C ATOM 173 O SER A 302 10.917 18.144 15.811 1.00 6.77 O ATOM 174 CB SER A 302 12.610 17.272 18.279 1.00 9.79 C ATOM 175 OG SER A 302 12.804 16.419 19.386 1.00 10.52 O ATOM 176 HG SER A 302 13.766 16.199 19.467 1.00 0.00 H ATOM 177 H SER A 302 10.635 15.774 17.125 1.00 0.00 H ATOM 178 N ILE A 303 10.855 19.871 17.283 1.00 5.90 N ATOM 179 CA ILE A 303 10.770 20.897 16.255 1.00 6.18 C ATOM 180 C ILE A 303 11.914 21.886 16.379 1.00 6.54 C ATOM 181 O ILE A 303 12.429 22.158 17.474 1.00 7.27 O ATOM 182 CB ILE A 303 9.432 21.669 16.298 1.00 6.83 C ATOM 183 CG1 ILE A 303 9.188 22.337 17.661 1.00 7.17 C ATOM 184 CG2 ILE A 303 8.273 20.759 15.891 1.00 7.81 C ATOM 185 CD1 ILE A 303 8.096 23.401 17.616 1.00 9.16 C ATOM 186 H ILE A 303 10.837 20.153 18.284 1.00 0.00 H ATOM 187 N THR A 304 12.305 22.428 15.242 1.00 7.11 N ATOM 188 CA THR A 304 13.300 23.483 15.200 1.00 8.08 C ATOM 189 C THR A 304 12.804 24.558 14.249 1.00 7.00 C ATOM 190 O THR A 304 11.801 24.376 13.568 1.00 11.27 O ATOM 191 CB THR A 304 14.669 22.915 14.765 1.00 9.76 C ATOM 192 OG1 THR A 304 15.691 23.901 14.954 1.00 11.58 O ATOM 193 CG2 THR A 304 14.638 22.460 13.319 1.00 11.66 C ATOM 194 HG1 THR A 304 15.732 24.153 15.910 1.00 0.00 H ATOM 195 H THR A 304 11.889 22.090 14.351 1.00 0.00 H ATOM 196 N GLY A 305 13.477 25.698 14.209 1.00 7.36 N ATOM 197 CA GLY A 305 13.086 26.757 13.301 1.00 8.61 C ATOM 198 C GLY A 305 12.110 27.743 13.903 1.00 6.17 C ATOM 199 O GLY A 305 11.931 27.806 15.120 1.00 8.49 O ATOM 200 H GLY A 305 14.295 25.834 14.836 1.00 0.00 H ATOM 201 N GLY A 306 11.515 28.557 13.046 1.00 7.51 N ATOM 202 CA GLY A 306 10.631 29.617 13.488 1.00 9.40 C ATOM 203 C GLY A 306 10.906 30.910 12.748 1.00 7.02 C ATOM 204 O GLY A 306 11.992 31.141 12.214 1.00 7.12 O ATOM 205 H GLY A 306 11.686 28.433 12.028 1.00 0.00 H ATOM 206 N LYS A 307 9.902 31.773 12.733 1.00 7.79 N ATOM 207 CA LYS A 307 9.967 32.995 11.955 1.00 8.84 C ATOM 208 C LYS A 307 11.167 33.871 12.291 1.00 9.57 C ATOM 209 O LYS A 307 11.741 34.498 11.394 1.00 10.34 O ATOM 210 CB LYS A 307 8.667 33.784 12.100 1.00 11.45 C ATOM 211 CG LYS A 307 8.644 35.016 11.205 1.00 17.25 C ATOM 212 CD LYS A 307 7.384 35.835 11.369 1.00 30.47 C ATOM 213 CE LYS A 307 7.410 37.057 10.457 1.00 35.73 C ATOM 214 NZ LYS A 307 8.555 37.959 10.760 1.00 38.13 N ATOM 215 HZ1 LYS A 307 8.483 38.290 11.743 1.00 0.00 H ATOM 216 HZ2 LYS A 307 9.447 37.440 10.632 1.00 0.00 H ATOM 217 HZ3 LYS A 307 8.532 38.775 10.116 1.00 0.00 H ATOM 218 H LYS A 307 9.048 31.570 13.291 1.00 0.00 H ATOM 219 N GLU A 308 11.556 33.909 13.560 1.00 9.19 N ATOM 220 CA GLU A 308 12.664 34.771 13.963 1.00 10.86 C ATOM 221 C GLU A 308 13.990 34.314 13.353 1.00 10.68 C ATOM 222 O GLU A 308 14.959 35.078 13.307 1.00 13.38 O ATOM 223 CB GLU A 308 12.761 34.869 15.492 1.00 13.36 C ATOM 224 CG GLU A 308 13.270 33.611 16.203 1.00 10.98 C ATOM 225 CD GLU A 308 12.169 32.640 16.625 1.00 10.48 C ATOM 226 OE1 GLU A 308 11.243 32.376 15.837 1.00 9.80 O ATOM 227 OE2 GLU A 308 12.243 32.110 17.755 1.00 13.60 O ATOM 228 H GLU A 308 11.070 33.323 14.269 1.00 0.00 H ATOM 229 N HIS A 309 14.022 33.076 12.872 1.00 9.22 N ATOM 230 CA HIS A 309 15.204 32.507 12.230 1.00 9.94 C ATOM 231 C HIS A 309 15.055 32.435 10.715 1.00 10.45 C ATOM 232 O HIS A 309 15.962 31.975 10.025 1.00 11.72 O ATOM 233 CB HIS A 309 15.450 31.100 12.779 1.00 11.78 C ATOM 234 CG HIS A 309 15.557 31.061 14.268 1.00 11.36 C ATOM 235 ND1 HIS A 309 16.546 31.731 14.953 1.00 11.68 N ATOM 236 CD2 HIS A 309 14.789 30.457 15.204 1.00 13.12 C ATOM 237 CE1 HIS A 309 16.386 31.540 16.250 1.00 12.04 C ATOM 238 NE2 HIS A 309 15.330 30.765 16.429 1.00 13.59 N ATOM 239 H HIS A 309 13.169 32.487 12.956 1.00 0.00 H ATOM 240 N GLY A 310 13.902 32.853 10.205 1.00 9.46 N ATOM 241 CA GLY A 310 13.654 32.835 8.775 1.00 10.67 C ATOM 242 C GLY A 310 13.512 31.438 8.199 1.00 10.43 C ATOM 243 O GLY A 310 13.766 31.232 7.007 1.00 14.62 O ATOM 244 H GLY A 310 13.160 33.201 10.845 1.00 0.00 H ATOM 245 N VAL A 311 13.103 30.480 9.025 1.00 11.21 N ATOM 246 CA VAL A 311 12.838 29.132 8.531 1.00 14.10 C ATOM 247 C VAL A 311 11.544 28.607 9.132 1.00 11.62 C ATOM 248 O VAL A 311 11.133 29.061 10.190 1.00 10.06 O ATOM 249 CB VAL A 311 14.002 28.175 8.817 1.00 22.63 C ATOM 250 CG1 VAL A 311 15.289 28.681 8.155 1.00 26.64 C ATOM 251 CG2 VAL A 311 14.199 28.028 10.298 1.00 18.77 C ATOM 252 H VAL A 311 12.970 30.693 10.034 1.00 0.00 H ATOM 253 N PRO A 312 10.886 27.658 8.448 1.00 10.69 N ATOM 254 CA PRO A 312 9.611 27.146 8.968 1.00 10.00 C ATOM 255 C PRO A 312 9.789 26.369 10.263 1.00 7.82 C ATOM 256 O PRO A 312 10.911 26.049 10.684 1.00 9.71 O ATOM 257 CB PRO A 312 9.128 26.204 7.861 1.00 11.34 C ATOM 258 CG PRO A 312 10.352 25.869 7.079 1.00 17.63 C ATOM 259 CD PRO A 312 11.234 27.070 7.145 1.00 12.47 C ATOM 260 N ILE A 313 8.669 26.085 10.910 1.00 8.55 N ATOM 261 CA ILE A 313 8.662 25.105 11.980 1.00 7.17 C ATOM 262 C ILE A 313 8.888 23.734 11.342 1.00 8.17 C ATOM 263 O ILE A 313 8.048 23.250 10.566 1.00 10.43 O ATOM 264 CB ILE A 313 7.332 25.115 12.742 1.00 7.67 C ATOM 265 CG1 ILE A 313 7.073 26.509 13.330 1.00 8.52 C ATOM 266 CG2 ILE A 313 7.315 24.040 13.819 1.00 9.53 C ATOM 267 CD1 ILE A 313 8.153 27.004 14.303 1.00 9.29 C ATOM 268 H ILE A 313 7.786 26.569 10.649 1.00 0.00 H ATOM 269 N LEU A 314 10.027 23.122 11.645 1.00 6.56 N ATOM 270 CA LEU A 314 10.440 21.878 11.008 1.00 7.58 C ATOM 271 C LEU A 314 10.510 20.742 12.015 1.00 6.72 C ATOM 272 O LEU A 314 11.031 20.915 13.127 1.00 7.03 O ATOM 273 CB LEU A 314 11.834 22.049 10.415 1.00 9.17 C ATOM 274 CG LEU A 314 11.929 22.982 9.217 1.00 13.74 C ATOM 275 CD1 LEU A 314 13.387 23.318 8.959 1.00 17.37 C ATOM 276 CD2 LEU A 314 11.302 22.319 8.005 1.00 14.98 C ATOM 277 H LEU A 314 10.647 23.546 12.364 1.00 0.00 H ATOM 278 N ILE A 315 10.033 19.563 11.614 1.00 7.27 N ATOM 279 CA ILE A 315 10.183 18.371 12.435 1.00 7.77 C ATOM 280 C ILE A 315 11.604 17.842 12.290 1.00 7.61 C ATOM 281 O ILE A 315 12.030 17.463 11.194 1.00 9.40 O ATOM 282 CB ILE A 315 9.174 17.284 12.019 1.00 7.52 C ATOM 283 CG1 ILE A 315 7.738 17.792 12.217 1.00 7.96 C ATOM 284 CG2 ILE A 315 9.415 16.001 12.804 1.00 8.16 C ATOM 285 CD1 ILE A 315 6.655 16.769 11.897 1.00 8.21 C ATOM 286 H ILE A 315 9.545 19.494 10.698 1.00 0.00 H ATOM 287 N SER A 316 12.350 17.835 13.384 1.00 7.30 N ATOM 288 CA SER A 316 13.723 17.336 13.344 1.00 7.84 C ATOM 289 C SER A 316 13.849 15.940 13.937 1.00 7.96 C ATOM 290 O SER A 316 14.844 15.258 13.695 1.00 9.55 O ATOM 291 CB SER A 316 14.674 18.307 14.049 1.00 10.94 C ATOM 292 OG SER A 316 14.284 18.483 15.396 1.00 10.48 O ATOM 293 HG SER A 316 14.907 19.112 15.839 1.00 0.00 H ATOM 294 H SER A 316 11.955 18.188 14.279 1.00 0.00 H ATOM 295 N GLU A 317 12.855 15.514 14.713 1.00 7.04 N ATOM 296 CA GLU A 317 12.830 14.165 15.275 1.00 7.57 C ATOM 297 C GLU A 317 11.404 13.655 15.363 1.00 6.69 C ATOM 298 O GLU A 317 10.485 14.410 15.677 1.00 7.49 O ATOM 299 CB GLU A 317 13.439 14.122 16.679 1.00 9.09 C ATOM 300 CG GLU A 317 14.844 14.663 16.773 1.00 13.27 C ATOM 301 CD GLU A 317 15.472 14.414 18.131 1.00 21.08 C ATOM 302 OE1 GLU A 317 14.918 14.883 19.148 1.00 23.90 O ATOM 303 OE2 GLU A 317 16.526 13.746 18.183 1.00 24.34 O ATOM 304 H GLU A 317 12.070 16.162 14.926 1.00 0.00 H ATOM 305 N ILE A 318 11.241 12.363 15.084 1.00 7.32 N ATOM 306 CA ILE A 318 10.015 11.621 15.381 1.00 7.45 C ATOM 307 C ILE A 318 10.402 10.577 16.421 1.00 8.55 C ATOM 308 O ILE A 318 11.211 9.688 16.138 1.00 9.63 O ATOM 309 CB ILE A 318 9.445 10.917 14.126 1.00 7.95 C ATOM 310 CG1 ILE A 318 9.056 11.944 13.047 1.00 10.08 C ATOM 311 CG2 ILE A 318 8.268 10.008 14.503 1.00 10.64 C ATOM 312 CD1 ILE A 318 7.797 12.728 13.336 1.00 11.99 C ATOM 313 H ILE A 318 12.027 11.854 14.631 1.00 0.00 H ATOM 314 N HIS A 319 9.864 10.677 17.624 1.00 6.70 N ATOM 315 CA HIS A 319 10.300 9.793 18.696 1.00 7.35 C ATOM 316 C HIS A 319 9.589 8.444 18.642 1.00 6.61 C ATOM 317 O HIS A 319 8.364 8.377 18.523 1.00 6.70 O ATOM 318 CB HIS A 319 10.150 10.509 20.027 1.00 8.90 C ATOM 319 CG HIS A 319 10.905 11.803 20.069 1.00 10.29 C ATOM 320 ND1 HIS A 319 12.281 11.871 19.987 1.00 14.34 N ATOM 321 CD2 HIS A 319 10.470 13.084 20.127 1.00 12.16 C ATOM 322 CE1 HIS A 319 12.659 13.138 20.021 1.00 13.97 C ATOM 323 NE2 HIS A 319 11.578 13.892 20.109 1.00 13.27 N ATOM 324 H HIS A 319 9.128 11.389 17.806 1.00 0.00 H ATOM 325 N PRO A 320 10.358 7.350 18.693 1.00 7.07 N ATOM 326 CA PRO A 320 9.743 6.042 18.422 1.00 7.82 C ATOM 327 C PRO A 320 8.659 5.678 19.425 1.00 7.04 C ATOM 328 O PRO A 320 8.842 5.836 20.637 1.00 8.14 O ATOM 329 CB PRO A 320 10.926 5.060 18.512 1.00 9.98 C ATOM 330 CG PRO A 320 11.974 5.782 19.298 1.00 10.00 C ATOM 331 CD PRO A 320 11.809 7.238 18.930 1.00 9.00 C ATOM 332 N GLY A 321 7.536 5.200 18.903 1.00 6.98 N ATOM 333 CA GLY A 321 6.443 4.719 19.725 1.00 8.40 C ATOM 334 C GLY A 321 5.504 5.774 20.289 1.00 7.71 C ATOM 335 O GLY A 321 4.498 5.430 20.915 1.00 8.64 O ATOM 336 H GLY A 321 7.437 5.169 17.868 1.00 0.00 H ATOM 337 N GLN A 322 5.829 7.051 20.095 1.00 6.50 N ATOM 338 CA GLN A 322 4.994 8.144 20.594 1.00 6.54 C ATOM 339 C GLN A 322 3.953 8.518 19.517 1.00 5.05 C ATOM 340 O GLN A 322 3.954 7.915 18.439 1.00 4.50 O ATOM 341 CB GLN A 322 5.875 9.318 21.066 1.00 5.89 C ATOM 342 CG GLN A 322 6.730 8.981 22.308 1.00 6.39 C ATOM 343 CD GLN A 322 7.488 10.180 22.878 1.00 6.02 C ATOM 344 OE1 GLN A 322 8.715 10.163 22.955 1.00 8.49 O ATOM 345 NE2 GLN A 322 6.764 11.216 23.277 1.00 7.26 N ATOM 346 HE22 GLN A 322 5.728 11.189 23.194 1.00 0.00 H ATOM 347 HE21 GLN A 322 7.232 12.056 23.673 1.00 0.00 H ATOM 348 H GLN A 322 6.700 7.278 19.574 1.00 0.00 H ATOM 349 N PRO A 323 3.031 9.458 19.808 1.00 5.15 N ATOM 350 CA PRO A 323 1.899 9.618 18.877 1.00 5.36 C ATOM 351 C PRO A 323 2.224 9.965 17.427 1.00 5.22 C ATOM 352 O PRO A 323 1.540 9.446 16.528 1.00 5.59 O ATOM 353 CB PRO A 323 1.050 10.702 19.547 1.00 5.57 C ATOM 354 CG PRO A 323 1.306 10.471 21.018 1.00 6.19 C ATOM 355 CD PRO A 323 2.788 10.160 21.088 1.00 5.38 C ATOM 356 N ALA A 324 3.215 10.805 17.171 1.00 4.75 N ATOM 357 CA ALA A 324 3.547 11.142 15.792 1.00 5.79 C ATOM 358 C ALA A 324 4.048 9.925 15.017 1.00 5.75 C ATOM 359 O ALA A 324 3.665 9.721 13.851 1.00 6.15 O ATOM 360 CB ALA A 324 4.568 12.283 15.743 1.00 6.72 C ATOM 361 H ALA A 324 3.757 11.224 17.954 1.00 0.00 H ATOM 362 N ASP A 325 4.878 9.104 15.657 1.00 5.56 N ATOM 363 CA ASP A 325 5.348 7.878 15.039 1.00 5.86 C ATOM 364 C ASP A 325 4.161 6.954 14.752 1.00 5.56 C ATOM 365 O ASP A 325 4.046 6.389 13.650 1.00 5.76 O ATOM 366 CB ASP A 325 6.338 7.193 15.980 1.00 6.27 C ATOM 367 CG ASP A 325 6.969 5.957 15.380 1.00 7.42 C ATOM 368 OD1 ASP A 325 7.198 5.926 14.149 1.00 9.78 O ATOM 369 OD2 ASP A 325 7.240 5.007 16.149 1.00 8.64 O ATOM 370 H ASP A 325 5.195 9.346 16.617 1.00 0.00 H ATOM 371 N ARG A 326 3.285 6.794 15.744 1.00 5.64 N ATOM 372 CA ARG A 326 2.147 5.893 15.602 1.00 5.82 C ATOM 373 C ARG A 326 1.171 6.322 14.509 1.00 5.82 C ATOM 374 O ARG A 326 0.558 5.471 13.863 1.00 6.93 O ATOM 375 CB ARG A 326 1.400 5.725 16.925 1.00 6.38 C ATOM 376 CG ARG A 326 2.288 5.228 18.049 1.00 6.35 C ATOM 377 CD ARG A 326 1.511 4.716 19.248 1.00 8.13 C ATOM 378 NE ARG A 326 0.518 5.633 19.810 1.00 8.41 N ATOM 379 CZ ARG A 326 0.672 6.353 20.926 1.00 7.49 C ATOM 380 NH1 ARG A 326 1.814 6.337 21.587 1.00 9.05 N ATOM 381 NH2 ARG A 326 -0.340 7.090 21.370 1.00 9.06 N ATOM 382 HE ARG A 326 -0.382 5.733 19.299 1.00 0.00 H ATOM 383 HH12 ARG A 326 1.921 6.902 22.454 1.00 0.00 H ATOM 384 HH11 ARG A 326 2.607 5.760 21.241 1.00 0.00 H ATOM 385 HH22 ARG A 326 -0.231 7.654 22.237 1.00 0.00 H ATOM 386 HH21 ARG A 326 -1.241 7.103 20.851 1.00 0.00 H ATOM 387 H ARG A 326 3.415 7.319 16.632 1.00 0.00 H ATOM 388 N CYS A 327 1.024 7.624 14.276 1.00 6.30 N ATOM 389 CA CYS A 327 0.051 8.079 13.279 1.00 6.65 C ATOM 390 C CYS A 327 0.478 7.727 11.858 1.00 6.39 C ATOM 391 O CYS A 327 -0.358 7.642 10.963 1.00 7.28 O ATOM 392 CB CYS A 327 -0.271 9.581 13.411 1.00 7.16 C ATOM 393 SG CYS A 327 0.793 10.767 12.521 1.00 7.55 S ATOM 394 H CYS A 327 1.597 8.316 14.799 1.00 0.00 H ATOM 395 N GLY A 328 1.780 7.545 11.646 1.00 6.58 N ATOM 396 CA GLY A 328 2.305 7.069 10.373 1.00 7.56 C ATOM 397 C GLY A 328 2.592 8.090 9.278 1.00 7.48 C ATOM 398 O GLY A 328 3.312 7.792 8.322 1.00 9.43 O ATOM 399 H GLY A 328 2.447 7.750 12.417 1.00 0.00 H ATOM 400 N GLY A 329 2.055 9.298 9.415 1.00 7.82 N ATOM 401 CA GLY A 329 2.111 10.269 8.336 1.00 8.42 C ATOM 402 C GLY A 329 2.999 11.481 8.542 1.00 6.99 C ATOM 403 O GLY A 329 3.006 12.367 7.683 1.00 8.26 O ATOM 404 H GLY A 329 1.587 9.552 10.309 1.00 0.00 H ATOM 405 N LEU A 330 3.731 11.542 9.657 1.00 7.30 N ATOM 406 CA LEU A 330 4.627 12.666 9.956 1.00 7.46 C ATOM 407 C LEU A 330 6.076 12.199 9.960 1.00 8.23 C ATOM 408 O LEU A 330 6.392 11.157 10.551 1.00 9.41 O ATOM 409 CB LEU A 330 4.309 13.283 11.315 1.00 8.41 C ATOM 410 CG LEU A 330 2.934 13.918 11.479 1.00 7.45 C ATOM 411 CD1 LEU A 330 2.769 14.395 12.910 1.00 9.62 C ATOM 412 CD2 LEU A 330 2.763 15.068 10.496 1.00 8.68 C ATOM 413 H LEU A 330 3.664 10.762 10.341 1.00 0.00 H ATOM 414 N HIS A 331 6.956 12.972 9.329 1.00 7.85 N ATOM 415 CA HIS A 331 8.334 12.535 9.136 1.00 8.73 C ATOM 416 C HIS A 331 9.342 13.644 9.342 1.00 7.22 C ATOM 417 O HIS A 331 9.026 14.821 9.182 1.00 7.46 O ATOM 418 CB HIS A 331 8.476 11.957 7.738 1.00 10.47 C ATOM 419 CG HIS A 331 7.432 10.937 7.426 1.00 10.05 C ATOM 420 ND1 HIS A 331 7.420 9.689 8.013 1.00 13.33 N ATOM 421 CD2 HIS A 331 6.334 10.994 6.636 1.00 11.59 C ATOM 422 CE1 HIS A 331 6.372 9.012 7.578 1.00 13.15 C ATOM 423 NE2 HIS A 331 5.700 9.778 6.736 1.00 13.32 N ATOM 424 H HIS A 331 6.657 13.901 8.968 1.00 0.00 H ATOM 425 N VAL A 332 10.560 13.255 9.698 1.00 7.44 N ATOM 426 CA VAL A 332 11.646 14.209 9.832 1.00 8.17 C ATOM 427 C VAL A 332 11.821 14.961 8.521 1.00 8.14 C ATOM 428 O VAL A 332 11.835 14.361 7.443 1.00 9.78 O ATOM 429 CB VAL A 332 12.956 13.502 10.232 1.00 9.09 C ATOM 430 CG1 VAL A 332 14.136 14.458 10.121 1.00 12.69 C ATOM 431 CG2 VAL A 332 12.836 12.928 11.641 1.00 11.06 C ATOM 432 H VAL A 332 10.740 12.248 9.884 1.00 0.00 H ATOM 433 N GLY A 333 11.924 16.280 8.613 1.00 7.95 N ATOM 434 CA GLY A 333 12.074 17.106 7.432 1.00 9.68 C ATOM 435 C GLY A 333 10.771 17.758 7.018 1.00 8.41 C ATOM 436 O GLY A 333 10.783 18.676 6.196 1.00 11.22 O ATOM 437 H GLY A 333 11.897 16.730 9.550 1.00 0.00 H ATOM 438 N ASP A 334 9.643 17.282 7.553 1.00 7.56 N ATOM 439 CA ASP A 334 8.361 17.934 7.287 1.00 7.63 C ATOM 440 C ASP A 334 8.313 19.327 7.929 1.00 7.22 C ATOM 441 O ASP A 334 8.713 19.505 9.092 1.00 8.63 O ATOM 442 CB ASP A 334 7.189 17.128 7.857 1.00 7.55 C ATOM 443 CG ASP A 334 6.807 15.932 7.006 1.00 9.09 C ATOM 444 OD1 ASP A 334 7.130 15.896 5.791 1.00 9.27 O ATOM 445 OD2 ASP A 334 6.136 15.036 7.570 1.00 7.81 O ATOM 446 H ASP A 334 9.677 16.441 8.164 1.00 0.00 H ATOM 447 N ALA A 335 7.832 20.311 7.178 1.00 6.68 N ATOM 448 CA ALA A 335 7.491 21.617 7.728 1.00 7.34 C ATOM 449 C ALA A 335 6.036 21.568 8.167 1.00 6.79 C ATOM 450 O ALA A 335 5.175 21.064 7.433 1.00 7.64 O ATOM 451 CB ALA A 335 7.696 22.710 6.685 1.00 8.77 C ATOM 452 H ALA A 335 7.694 20.144 6.161 1.00 0.00 H ATOM 453 N ILE A 336 5.757 22.077 9.363 1.00 7.08 N ATOM 454 CA ILE A 336 4.383 22.147 9.853 1.00 6.88 C ATOM 455 C ILE A 336 3.790 23.484 9.455 1.00 7.41 C ATOM 456 O ILE A 336 4.179 24.538 9.981 1.00 9.10 O ATOM 457 CB ILE A 336 4.275 21.955 11.376 1.00 6.23 C ATOM 458 CG1 ILE A 336 5.042 20.709 11.818 1.00 7.46 C ATOM 459 CG2 ILE A 336 2.802 21.876 11.780 1.00 8.15 C ATOM 460 CD1 ILE A 336 5.058 20.498 13.333 1.00 8.66 C ATOM 461 H ILE A 336 6.531 22.432 9.960 1.00 0.00 H ATOM 462 N LEU A 337 2.854 23.435 8.515 1.00 7.47 N ATOM 463 CA LEU A 337 2.222 24.636 7.997 1.00 8.47 C ATOM 464 C LEU A 337 1.056 25.079 8.862 1.00 7.40 C ATOM 465 O LEU A 337 0.806 26.272 8.987 1.00 9.16 O ATOM 466 CB LEU A 337 1.746 24.413 6.556 1.00 9.51 C ATOM 467 CG LEU A 337 2.797 23.877 5.581 1.00 9.05 C ATOM 468 CD1 LEU A 337 2.179 23.637 4.215 1.00 12.49 C ATOM 469 CD2 LEU A 337 3.974 24.835 5.462 1.00 12.45 C ATOM 470 H LEU A 337 2.565 22.510 8.138 1.00 0.00 H ATOM 471 N ALA A 338 0.344 24.129 9.465 1.00 7.22 N ATOM 472 CA ALA A 338 -0.799 24.456 10.304 1.00 7.27 C ATOM 473 C ALA A 338 -1.144 23.272 11.200 1.00 7.46 C ATOM 474 O ALA A 338 -0.823 22.123 10.877 1.00 7.46 O ATOM 475 CB ALA A 338 -2.004 24.842 9.439 1.00 9.43 C ATOM 476 H ALA A 338 0.610 23.132 9.334 1.00 0.00 H ATOM 477 N VAL A 339 -1.807 23.547 12.318 1.00 7.04 N ATOM 478 CA VAL A 339 -2.313 22.490 13.182 1.00 8.38 C ATOM 479 C VAL A 339 -3.722 22.877 13.610 1.00 7.40 C ATOM 480 O VAL A 339 -3.943 23.999 14.082 1.00 8.77 O ATOM 481 CB VAL A 339 -1.383 22.223 14.396 1.00 6.72 C ATOM 482 CG1 VAL A 339 -1.319 23.421 15.323 1.00 9.17 C ATOM 483 CG2 VAL A 339 -1.842 20.974 15.151 1.00 8.48 C ATOM 484 H VAL A 339 -1.968 24.540 12.582 1.00 0.00 H ATOM 485 N ASN A 340 -4.679 21.974 13.414 1.00 8.24 N ATOM 486 CA ASN A 340 -6.081 22.256 13.712 1.00 9.45 C ATOM 487 C ASN A 340 -6.524 23.614 13.155 1.00 11.04 C ATOM 488 O ASN A 340 -7.253 24.362 13.812 1.00 13.41 O ATOM 489 CB ASN A 340 -6.365 22.136 15.216 1.00 10.48 C ATOM 490 CG ASN A 340 -6.423 20.691 15.678 1.00 8.22 C ATOM 491 OD1 ASN A 340 -6.703 19.784 14.884 1.00 9.24 O ATOM 492 ND2 ASN A 340 -6.172 20.467 16.957 1.00 10.10 N ATOM 493 HD22 ASN A 340 -5.941 21.260 17.588 1.00 0.00 H ATOM 494 HD21 ASN A 340 -6.206 19.497 17.332 1.00 0.00 H ATOM 495 H ASN A 340 -4.421 21.039 13.037 1.00 0.00 H ATOM 496 N GLY A 341 -6.071 23.921 11.943 1.00 11.54 N ATOM 497 CA GLY A 341 -6.447 25.149 11.265 1.00 13.47 C ATOM 498 C GLY A 341 -5.700 26.405 11.687 1.00 13.63 C ATOM 499 O GLY A 341 -5.962 27.483 11.150 1.00 17.07 O ATOM 500 H GLY A 341 -5.426 23.260 11.465 1.00 0.00 H ATOM 501 N VAL A 342 -4.786 26.288 12.647 1.00 11.92 N ATOM 502 CA VAL A 342 -3.973 27.425 13.072 1.00 10.00 C ATOM 503 C VAL A 342 -2.707 27.488 12.238 1.00 12.62 C ATOM 504 O VAL A 342 -1.888 26.568 12.276 1.00 11.60 O ATOM 505 CB VAL A 342 -3.580 27.311 14.556 1.00 11.93 C ATOM 506 CG1 VAL A 342 -2.803 28.541 14.995 1.00 12.70 C ATOM 507 CG2 VAL A 342 -4.810 27.129 15.430 1.00 13.88 C ATOM 508 H VAL A 342 -4.647 25.365 13.106 1.00 0.00 H ATOM 509 N ASN A 343 -2.541 28.582 11.499 1.00 10.34 N ATOM 510 CA ASN A 343 -1.396 28.757 10.624 1.00 10.97 C ATOM 511 C ASN A 343 -0.135 28.868 11.466 1.00 13.36 C ATOM 512 O ASN A 343 -0.098 29.622 12.442 1.00 15.16 O ATOM 513 CB ASN A 343 -1.570 30.019 9.777 1.00 13.97 C ATOM 514 CG ASN A 343 -0.466 30.199 8.763 1.00 15.35 C ATOM 515 OD1 ASN A 343 0.238 29.259 8.412 1.00 16.61 O ATOM 516 ND2 ASN A 343 -0.320 31.418 8.272 1.00 21.18 N ATOM 517 HD22 ASN A 343 -0.939 32.187 8.598 1.00 0.00 H ATOM 518 HD21 ASN A 343 0.414 31.607 7.560 1.00 0.00 H ATOM 519 H ASN A 343 -3.255 29.336 11.550 1.00 0.00 H ATOM 520 N LEU A 344 0.890 28.115 11.087 1.00 10.24 N ATOM 521 CA LEU A 344 2.176 28.182 11.762 1.00 10.52 C ATOM 522 C LEU A 344 3.283 28.667 10.838 1.00 11.20 C ATOM 523 O LEU A 344 4.452 28.613 11.190 1.00 11.88 O ATOM 524 CB LEU A 344 2.556 26.807 12.318 1.00 10.39 C ATOM 525 CG LEU A 344 1.683 26.229 13.437 1.00 8.66 C ATOM 526 CD1 LEU A 344 2.124 24.811 13.814 1.00 11.72 C ATOM 527 CD2 LEU A 344 1.669 27.129 14.673 1.00 11.98 C ATOM 528 H LEU A 344 0.770 27.461 10.287 1.00 0.00 H ATOM 529 N ARG A 345 2.900 29.138 9.653 1.00 11.59 N ATOM 530 CA ARG A 345 3.867 29.555 8.644 1.00 13.57 C ATOM 531 C ARG A 345 4.698 30.765 9.081 1.00 11.99 C ATOM 532 O ARG A 345 5.860 30.890 8.699 1.00 16.46 O ATOM 533 CB ARG A 345 3.162 29.849 7.313 1.00 14.15 C ATOM 534 CG ARG A 345 2.519 28.626 6.652 1.00 15.48 C ATOM 535 CD ARG A 345 1.475 29.045 5.613 1.00 14.45 C ATOM 536 NE ARG A 345 0.972 27.924 4.816 1.00 16.27 N ATOM 537 CZ ARG A 345 -0.039 27.134 5.172 1.00 21.08 C ATOM 538 NH1 ARG A 345 -0.663 27.317 6.330 1.00 15.57 N ATOM 539 NH2 ARG A 345 -0.422 26.150 4.369 1.00 20.34 N ATOM 540 HE ARG A 345 1.438 27.731 3.906 1.00 0.00 H ATOM 541 HH12 ARG A 345 -1.452 26.695 6.600 1.00 0.00 H ATOM 542 HH11 ARG A 345 -0.363 28.082 6.967 1.00 0.00 H ATOM 543 HH22 ARG A 345 -1.211 25.531 4.644 1.00 0.00 H ATOM 544 HH21 ARG A 345 0.067 25.997 3.464 1.00 0.00 H ATOM 545 H ARG A 345 1.884 29.210 9.441 1.00 0.00 H ATOM 546 N ASP A 346 4.105 31.651 9.877 1.00 11.63 N ATOM 547 CA ASP A 346 4.786 32.875 10.293 1.00 13.14 C ATOM 548 C ASP A 346 4.965 32.968 11.807 1.00 11.34 C ATOM 549 O ASP A 346 5.130 34.054 12.357 1.00 14.60 O ATOM 550 CB ASP A 346 4.020 34.102 9.793 1.00 18.50 C ATOM 551 CG ASP A 346 3.685 34.019 8.320 1.00 28.52 C ATOM 552 OD1 ASP A 346 4.540 33.547 7.540 1.00 29.95 O ATOM 553 OD2 ASP A 346 2.562 34.417 7.946 1.00 29.24 O ATOM 554 H ASP A 346 3.137 31.469 10.210 1.00 0.00 H ATOM 555 N THR A 347 4.929 31.828 12.481 1.00 10.63 N ATOM 556 CA THR A 347 5.041 31.796 13.929 1.00 10.68 C ATOM 557 C THR A 347 6.492 31.707 14.402 1.00 7.91 C ATOM 558 O THR A 347 7.322 31.017 13.787 1.00 7.89 O ATOM 559 CB THR A 347 4.240 30.602 14.494 1.00 13.85 C ATOM 560 OG1 THR A 347 4.318 30.584 15.914 1.00 27.29 O ATOM 561 CG2 THR A 347 4.797 29.305 13.995 1.00 11.11 C ATOM 562 HG1 THR A 347 5.265 30.499 16.190 1.00 0.00 H ATOM 563 H THR A 347 4.818 30.934 11.961 1.00 0.00 H ATOM 564 N LYS A 348 6.788 32.412 15.487 1.00 7.64 N ATOM 565 CA LYS A 348 8.068 32.262 16.152 1.00 7.28 C ATOM 566 C LYS A 348 8.129 30.905 16.846 1.00 6.10 C ATOM 567 O LYS A 348 7.103 30.276 17.133 1.00 6.54 O ATOM 568 CB LYS A 348 8.284 33.382 17.167 1.00 8.61 C ATOM 569 CG LYS A 348 8.352 34.769 16.525 1.00 12.85 C ATOM 570 CD LYS A 348 8.275 35.882 17.567 1.00 17.30 C ATOM 571 CE LYS A 348 9.363 35.726 18.589 1.00 26.74 C ATOM 572 NZ LYS A 348 9.374 36.857 19.558 1.00 33.66 N ATOM 573 HZ1 LYS A 348 9.530 37.749 19.046 1.00 0.00 H ATOM 574 HZ2 LYS A 348 8.461 36.896 20.054 1.00 0.00 H ATOM 575 HZ3 LYS A 348 10.139 36.713 20.248 1.00 0.00 H ATOM 576 H LYS A 348 6.090 33.083 15.867 1.00 0.00 H ATOM 577 N HIS A 349 9.346 30.461 17.134 1.00 6.54 N ATOM 578 CA HIS A 349 9.550 29.144 17.708 1.00 6.31 C ATOM 579 C HIS A 349 8.677 28.887 18.945 1.00 6.47 C ATOM 580 O HIS A 349 7.954 27.888 19.009 1.00 5.68 O ATOM 581 CB HIS A 349 11.028 28.944 18.061 1.00 7.21 C ATOM 582 CG HIS A 349 11.335 27.565 18.551 1.00 6.19 C ATOM 583 ND1 HIS A 349 11.612 26.519 17.697 1.00 6.46 N ATOM 584 CD2 HIS A 349 11.371 27.046 19.803 1.00 6.57 C ATOM 585 CE1 HIS A 349 11.816 25.419 18.404 1.00 6.45 C ATOM 586 NE2 HIS A 349 11.664 25.708 19.684 1.00 6.72 N ATOM 587 H HIS A 349 10.169 31.068 16.945 1.00 0.00 H ATOM 588 N LYS A 350 8.769 29.768 19.944 1.00 5.54 N ATOM 589 CA LYS A 350 8.028 29.545 21.189 1.00 5.98 C ATOM 590 C LYS A 350 6.522 29.717 21.016 1.00 6.03 C ATOM 591 O LYS A 350 5.742 29.066 21.706 1.00 6.60 O ATOM 592 CB LYS A 350 8.560 30.420 22.331 1.00 7.70 C ATOM 593 CG LYS A 350 9.974 30.048 22.740 1.00 7.06 C ATOM 594 CD LYS A 350 10.486 30.874 23.924 1.00 9.08 C ATOM 595 CE LYS A 350 9.900 30.393 25.242 1.00 9.03 C ATOM 596 NZ LYS A 350 10.230 31.285 26.393 1.00 10.91 N ATOM 597 HZ1 LYS A 350 11.263 31.334 26.507 1.00 0.00 H ATOM 598 HZ2 LYS A 350 9.854 32.238 26.211 1.00 0.00 H ATOM 599 HZ3 LYS A 350 9.802 30.902 27.260 1.00 0.00 H ATOM 600 H LYS A 350 9.367 30.613 19.839 1.00 0.00 H ATOM 601 N GLU A 351 6.098 30.569 20.088 1.00 6.64 N ATOM 602 CA GLU A 351 4.676 30.649 19.755 1.00 6.97 C ATOM 603 C GLU A 351 4.184 29.285 19.271 1.00 5.43 C ATOM 604 O GLU A 351 3.124 28.802 19.691 1.00 6.30 O ATOM 605 CB GLU A 351 4.429 31.719 18.691 1.00 6.64 C ATOM 606 CG GLU A 351 4.805 33.116 19.150 1.00 7.21 C ATOM 607 CD GLU A 351 4.721 34.147 18.051 1.00 8.43 C ATOM 608 OE1 GLU A 351 4.662 33.768 16.856 1.00 9.29 O ATOM 609 OE2 GLU A 351 4.709 35.345 18.385 1.00 10.17 O ATOM 610 H GLU A 351 6.780 31.181 19.597 1.00 0.00 H ATOM 611 N ALA A 352 4.955 28.658 18.382 1.00 6.24 N ATOM 612 CA ALA A 352 4.591 27.340 17.854 1.00 6.05 C ATOM 613 C ALA A 352 4.543 26.282 18.945 1.00 5.37 C ATOM 614 O ALA A 352 3.656 25.424 18.929 1.00 5.38 O ATOM 615 CB ALA A 352 5.540 26.902 16.739 1.00 6.87 C ATOM 616 H ALA A 352 5.832 29.113 18.057 1.00 0.00 H ATOM 617 N VAL A 353 5.497 26.308 19.871 1.00 5.66 N ATOM 618 CA VAL A 353 5.476 25.352 20.964 1.00 6.33 C ATOM 619 C VAL A 353 4.177 25.481 21.751 1.00 4.96 C ATOM 620 O VAL A 353 3.516 24.484 22.025 1.00 6.09 O ATOM 621 CB VAL A 353 6.694 25.511 21.899 1.00 5.61 C ATOM 622 CG1 VAL A 353 6.529 24.664 23.161 1.00 7.44 C ATOM 623 CG2 VAL A 353 7.982 25.160 21.174 1.00 7.36 C ATOM 624 H VAL A 353 6.259 27.014 19.812 1.00 0.00 H ATOM 625 N THR A 354 3.805 26.702 22.117 1.00 5.62 N ATOM 626 CA THR A 354 2.555 26.910 22.856 1.00 5.86 C ATOM 627 C THR A 354 1.336 26.402 22.090 1.00 6.29 C ATOM 628 O THR A 354 0.497 25.658 22.639 1.00 6.47 O ATOM 629 CB THR A 354 2.389 28.400 23.215 1.00 6.72 C ATOM 630 OG1 THR A 354 3.388 28.749 24.181 1.00 9.10 O ATOM 631 CG2 THR A 354 1.000 28.692 23.777 1.00 7.96 C ATOM 632 HG1 THR A 354 3.272 28.191 24.990 1.00 0.00 H ATOM 633 H THR A 354 4.405 27.517 21.878 1.00 0.00 H ATOM 634 N ILE A 355 1.236 26.785 20.821 1.00 5.38 N ATOM 635 CA ILE A 355 0.104 26.363 20.020 1.00 5.76 C ATOM 636 C ILE A 355 0.060 24.835 19.897 1.00 5.54 C ATOM 637 O ILE A 355 -0.987 24.209 20.114 1.00 6.64 O ATOM 638 CB ILE A 355 0.140 27.026 18.637 1.00 5.65 C ATOM 639 CG1 ILE A 355 -0.039 28.542 18.771 1.00 6.83 C ATOM 640 CG2 ILE A 355 -0.936 26.428 17.725 1.00 7.87 C ATOM 641 CD1 ILE A 355 0.384 29.313 17.528 1.00 8.44 C ATOM 642 H ILE A 355 1.972 27.389 20.402 1.00 0.00 H ATOM 643 N LEU A 356 1.189 24.231 19.542 1.00 4.95 N ATOM 644 CA LEU A 356 1.221 22.787 19.341 1.00 5.06 C ATOM 645 C LEU A 356 0.892 21.998 20.610 1.00 4.77 C ATOM 646 O LEU A 356 0.134 21.031 20.566 1.00 5.38 O ATOM 647 CB LEU A 356 2.573 22.353 18.767 1.00 5.87 C ATOM 648 CG LEU A 356 2.753 22.663 17.275 1.00 5.42 C ATOM 649 CD1 LEU A 356 4.214 22.783 16.883 1.00 6.21 C ATOM 650 CD2 LEU A 356 2.029 21.637 16.389 1.00 7.31 C ATOM 651 H LEU A 356 2.055 24.791 19.407 1.00 0.00 H ATOM 652 N SER A 357 1.466 22.416 21.738 1.00 5.05 N ATOM 653 CA SER A 357 1.280 21.691 22.988 1.00 5.29 C ATOM 654 C SER A 357 -0.134 21.839 23.542 1.00 5.94 C ATOM 655 O SER A 357 -0.535 21.034 24.381 1.00 8.10 O ATOM 656 CB SER A 357 2.306 22.144 24.036 1.00 6.75 C ATOM 657 OG SER A 357 3.628 21.782 23.665 1.00 6.35 O ATOM 658 HG SER A 357 3.686 20.798 23.575 1.00 0.00 H ATOM 659 H SER A 357 2.056 23.273 21.726 1.00 0.00 H ATOM 660 N GLN A 358 -0.884 22.839 23.087 1.00 6.52 N ATOM 661 CA GLN A 358 -2.274 23.034 23.517 1.00 8.25 C ATOM 662 C GLN A 358 -3.246 22.035 22.893 1.00 6.87 C ATOM 663 O GLN A 358 -4.357 21.853 23.399 1.00 7.55 O ATOM 664 CB GLN A 358 -2.758 24.453 23.161 1.00 9.49 C ATOM 665 CG GLN A 358 -2.361 25.529 24.155 1.00 11.27 C ATOM 666 CD GLN A 358 -2.653 26.919 23.646 1.00 12.33 C ATOM 667 OE1 GLN A 358 -3.075 27.096 22.502 1.00 21.76 O ATOM 668 NE2 GLN A 358 -2.419 27.924 24.491 1.00 13.14 N ATOM 669 HE22 GLN A 358 -2.063 27.727 25.448 1.00 0.00 H ATOM 670 HE21 GLN A 358 -2.593 28.905 24.193 1.00 0.00 H ATOM 671 H GLN A 358 -0.472 23.505 22.403 1.00 0.00 H ATOM 672 N GLN A 359 -2.870 21.428 21.770 1.00 5.51 N ATOM 673 CA GLN A 359 -3.823 20.598 21.041 1.00 5.91 C ATOM 674 C GLN A 359 -4.002 19.257 21.738 1.00 5.76 C ATOM 675 O GLN A 359 -3.036 18.685 22.261 1.00 6.95 O ATOM 676 CB GLN A 359 -3.372 20.406 19.595 1.00 6.04 C ATOM 677 CG GLN A 359 -2.992 21.713 18.895 1.00 6.76 C ATOM 678 CD GLN A 359 -4.086 22.770 18.957 1.00 7.22 C ATOM 679 OE1 GLN A 359 -5.256 22.490 18.680 1.00 9.62 O ATOM 680 NE2 GLN A 359 -3.713 23.992 19.300 1.00 7.97 N ATOM 681 HE22 GLN A 359 -2.717 24.187 19.526 1.00 0.00 H ATOM 682 HE21 GLN A 359 -4.416 24.757 19.343 1.00 0.00 H ATOM 683 H GLN A 359 -1.900 21.545 21.413 1.00 0.00 H ATOM 684 N ARG A 360 -5.237 18.759 21.752 1.00 6.17 N ATOM 685 CA ARG A 360 -5.557 17.496 22.418 1.00 6.39 C ATOM 686 C ARG A 360 -6.330 16.552 21.516 1.00 6.02 C ATOM 687 O ARG A 360 -7.087 16.987 20.646 1.00 7.70 O ATOM 688 CB ARG A 360 -6.409 17.751 23.665 1.00 9.41 C ATOM 689 CG ARG A 360 -5.715 18.532 24.767 1.00 12.02 C ATOM 690 CD ARG A 360 -6.715 18.974 25.840 1.00 17.37 C ATOM 691 NE ARG A 360 -7.369 17.835 26.478 1.00 18.58 N ATOM 692 CZ ARG A 360 -8.454 17.922 27.244 1.00 33.00 C ATOM 693 NH1 ARG A 360 -9.019 19.101 27.466 1.00 39.38 N ATOM 694 NH2 ARG A 360 -8.979 16.828 27.782 1.00 30.26 N ATOM 695 HE ARG A 360 -6.959 16.892 26.323 1.00 0.00 H ATOM 696 HH12 ARG A 360 -9.867 19.167 28.065 1.00 0.00 H ATOM 697 HH11 ARG A 360 -8.614 19.960 27.041 1.00 0.00 H ATOM 698 HH22 ARG A 360 -9.827 16.898 28.380 1.00 0.00 H ATOM 699 HH21 ARG A 360 -8.543 15.901 27.605 1.00 0.00 H ATOM 700 H ARG A 360 -5.998 19.284 21.275 1.00 0.00 H ATOM 701 N GLY A 361 -6.167 15.256 21.755 1.00 6.39 N ATOM 702 CA GLY A 361 -7.029 14.250 21.154 1.00 7.51 C ATOM 703 C GLY A 361 -6.744 13.974 19.688 1.00 6.25 C ATOM 704 O GLY A 361 -5.665 13.503 19.323 1.00 7.73 O ATOM 705 H GLY A 361 -5.401 14.952 22.390 1.00 0.00 H ATOM 706 N GLU A 362 -7.729 14.266 18.840 1.00 6.18 N ATOM 707 CA GLU A 362 -7.616 14.060 17.397 1.00 7.12 C ATOM 708 C GLU A 362 -7.136 15.358 16.780 1.00 7.57 C ATOM 709 O GLU A 362 -7.875 16.342 16.756 1.00 10.72 O ATOM 710 CB GLU A 362 -8.966 13.657 16.808 1.00 8.07 C ATOM 711 CG GLU A 362 -9.482 12.341 17.348 1.00 8.49 C ATOM 712 CD GLU A 362 -10.814 11.941 16.756 1.00 9.04 C ATOM 713 OE1 GLU A 362 -11.134 10.742 16.798 1.00 10.43 O ATOM 714 OE2 GLU A 362 -11.545 12.812 16.240 1.00 12.25 O ATOM 715 H GLU A 362 -8.615 14.657 19.220 1.00 0.00 H ATOM 716 N ILE A 363 -5.905 15.363 16.286 1.00 6.21 N ATOM 717 CA ILE A 363 -5.232 16.592 15.901 1.00 6.49 C ATOM 718 C ILE A 363 -4.861 16.532 14.419 1.00 6.44 C ATOM 719 O ILE A 363 -4.179 15.601 13.975 1.00 7.98 O ATOM 720 CB ILE A 363 -3.969 16.785 16.747 1.00 6.27 C ATOM 721 CG1 ILE A 363 -4.318 16.799 18.243 1.00 7.08 C ATOM 722 CG2 ILE A 363 -3.241 18.055 16.338 1.00 8.12 C ATOM 723 CD1 ILE A 363 -3.111 16.704 19.158 1.00 9.42 C ATOM 724 H ILE A 363 -5.405 14.458 16.170 1.00 0.00 H ATOM 725 N GLU A 364 -5.304 17.520 13.652 1.00 6.38 N ATOM 726 CA GLU A 364 -5.029 17.552 12.222 1.00 7.44 C ATOM 727 C GLU A 364 -3.835 18.439 11.916 1.00 7.80 C ATOM 728 O GLU A 364 -3.801 19.604 12.313 1.00 11.60 O ATOM 729 CB GLU A 364 -6.240 18.073 11.455 1.00 9.71 C ATOM 730 CG GLU A 364 -6.010 18.184 9.955 1.00 23.49 C ATOM 731 CD GLU A 364 -7.108 18.958 9.254 1.00 34.26 C ATOM 732 OE1 GLU A 364 -6.835 20.075 8.765 1.00 37.16 O ATOM 733 OE2 GLU A 364 -8.245 18.446 9.192 1.00 38.76 O ATOM 734 H GLU A 364 -5.859 18.288 14.081 1.00 0.00 H ATOM 735 N PHE A 365 -2.864 17.894 11.196 1.00 7.17 N ATOM 736 CA PHE A 365 -1.678 18.623 10.766 1.00 7.63 C ATOM 737 C PHE A 365 -1.727 18.879 9.272 1.00 8.05 C ATOM 738 O PHE A 365 -2.186 18.035 8.499 1.00 9.27 O ATOM 739 CB PHE A 365 -0.429 17.799 11.072 1.00 9.83 C ATOM 740 CG PHE A 365 -0.051 17.787 12.527 1.00 7.27 C ATOM 741 CD1 PHE A 365 -0.662 16.922 13.426 1.00 7.70 C ATOM 742 CD2 PHE A 365 0.946 18.625 12.994 1.00 10.86 C ATOM 743 CE1 PHE A 365 -0.302 16.916 14.764 1.00 8.43 C ATOM 744 CE2 PHE A 365 1.309 18.619 14.336 1.00 11.82 C ATOM 745 CZ PHE A 365 0.686 17.760 15.218 1.00 9.07 C ATOM 746 H PHE A 365 -2.954 16.894 10.924 1.00 0.00 H ATOM 747 N GLU A 366 -1.268 20.055 8.868 1.00 7.84 N ATOM 748 CA GLU A 366 -0.994 20.348 7.466 1.00 8.01 C ATOM 749 C GLU A 366 0.517 20.473 7.343 1.00 6.73 C ATOM 750 O GLU A 366 1.117 21.324 8.004 1.00 7.75 O ATOM 751 CB GLU A 366 -1.677 21.647 7.048 1.00 9.78 C ATOM 752 CG GLU A 366 -1.583 21.952 5.567 1.00 14.55 C ATOM 753 CD GLU A 366 -2.450 23.131 5.147 1.00 27.22 C ATOM 754 OE1 GLU A 366 -3.059 23.773 6.027 1.00 25.15 O ATOM 755 OE2 GLU A 366 -2.526 23.414 3.934 1.00 30.92 O ATOM 756 H GLU A 366 -1.097 20.796 9.577 1.00 0.00 H ATOM 757 N VAL A 367 1.131 19.596 6.545 1.00 6.47 N ATOM 758 CA VAL A 367 2.585 19.510 6.483 1.00 6.95 C ATOM 759 C VAL A 367 3.087 19.405 5.048 1.00 6.14 C ATOM 760 O VAL A 367 2.328 19.054 4.136 1.00 8.68 O ATOM 761 CB VAL A 367 3.123 18.287 7.287 1.00 5.89 C ATOM 762 CG1 VAL A 367 2.877 18.459 8.782 1.00 6.93 C ATOM 763 CG2 VAL A 367 2.512 16.988 6.772 1.00 10.29 C ATOM 764 H VAL A 367 0.559 18.960 5.954 1.00 0.00 H ATOM 765 N VAL A 368 4.370 19.675 4.849 1.00 6.96 N ATOM 766 CA VAL A 368 4.977 19.509 3.536 1.00 7.66 C ATOM 767 C VAL A 368 6.442 19.171 3.699 1.00 7.40 C ATOM 768 O VAL A 368 7.134 19.754 4.523 1.00 8.14 O ATOM 769 CB VAL A 368 4.820 20.767 2.639 1.00 7.27 C ATOM 770 CG1 VAL A 368 5.566 21.962 3.231 1.00 9.22 C ATOM 771 CG2 VAL A 368 5.284 20.476 1.209 1.00 8.52 C ATOM 772 H VAL A 368 4.952 20.011 5.643 1.00 0.00 H ATOM 773 N TYR A 369 6.899 18.202 2.915 1.00 8.47 N ATOM 774 CA TYR A 369 8.308 17.852 2.875 1.00 10.17 C ATOM 775 C TYR A 369 8.966 18.552 1.702 1.00 10.91 C ATOM 776 O TYR A 369 8.569 18.350 0.556 1.00 12.63 O ATOM 777 CB TYR A 369 8.483 16.340 2.725 1.00 10.46 C ATOM 778 CG TYR A 369 9.926 15.904 2.812 1.00 10.39 C ATOM 779 CD1 TYR A 369 10.736 15.856 1.678 1.00 15.27 C ATOM 780 CD2 TYR A 369 10.481 15.541 4.032 1.00 11.15 C ATOM 781 CE1 TYR A 369 12.056 15.463 1.761 1.00 16.73 C ATOM 782 CE2 TYR A 369 11.799 15.150 4.125 1.00 14.52 C ATOM 783 CZ TYR A 369 12.582 15.106 2.985 1.00 16.60 C ATOM 784 OH TYR A 369 13.903 14.714 3.056 1.00 22.74 O ATOM 785 HH TYR A 369 13.954 13.791 3.411 1.00 0.00 H ATOM 786 H TYR A 369 6.230 17.680 2.314 1.00 0.00 H ATOM 787 N VAL A 370 9.970 19.370 1.992 1.00 13.53 N ATOM 788 CA VAL A 370 10.702 20.081 0.952 1.00 18.57 C ATOM 789 C VAL A 370 12.125 19.549 0.846 1.00 22.28 C ATOM 790 O VAL A 370 12.773 19.260 1.852 1.00 22.98 O ATOM 791 CB VAL A 370 10.742 21.599 1.223 1.00 17.45 C ATOM 792 CG1 VAL A 370 11.572 22.307 0.162 1.00 23.86 C ATOM 793 CG2 VAL A 370 9.333 22.166 1.277 1.00 17.49 C ATOM 794 OXT VAL A 370 12.659 19.399 -0.253 1.00 31.42 O ATOM 795 H VAL A 370 10.241 19.507 2.987 1.00 0.00 H TER 796 VAL A 370 HETATM 797 O HOH 1 6.347 10.087 17.893 1.00 5.84 O HETATM 798 O HOH 2 -0.271 18.527 21.809 1.00 6.27 O HETATM 799 O HOH 3 -1.311 8.915 16.537 1.00 8.06 O HETATM 800 O HOH 4 4.749 9.159 11.385 1.00 7.43 O HETATM 801 O HOH 5 0.757 24.978 25.359 1.00 7.83 O HETATM 802 O HOH 6 4.641 11.368 24.901 1.00 8.93 O HETATM 803 O HOH 7 -4.638 14.339 24.070 1.00 9.41 O HETATM 804 O HOH 8 5.158 16.629 1.261 1.00 8.99 O HETATM 805 O HOH 9 10.481 32.072 19.892 1.00 9.66 O HETATM 806 O HOH 10 10.408 32.981 30.143 1.00 9.61 O HETATM 807 O HOH 11 13.801 11.019 14.407 1.00 13.16 O HETATM 808 O HOH 12 -13.738 9.904 16.867 1.00 13.87 O HETATM 809 O HOH 13 6.011 26.686 9.728 1.00 11.87 O HETATM 810 O HOH 14 3.209 27.536 26.537 1.00 12.31 O HETATM 811 O HOH 15 3.270 24.899 26.542 1.00 13.32 O HETATM 812 O HOH 16 7.061 29.656 11.372 1.00 12.02 O HETATM 813 O HOH 17 -7.561 6.730 21.022 1.00 12.30 O HETATM 814 O HOH 18 -2.433 6.930 19.505 1.00 14.10 O HETATM 815 O HOH 19 5.983 6.665 11.385 1.00 13.77 O HETATM 816 O HOH 20 8.940 30.702 9.667 1.00 13.63 O HETATM 817 O HOH 21 -7.721 18.463 18.376 1.00 13.71 O HETATM 818 O HOH 22 8.456 14.184 22.240 1.00 14.38 O HETATM 819 O HOH 23 -7.456 20.542 21.046 1.00 16.64 O HETATM 820 O HOH 24 11.052 10.386 10.078 1.00 14.16 O HETATM 821 O HOH 25 5.059 5.683 8.780 1.00 15.13 O HETATM 822 O HOH 26 7.543 13.367 4.609 1.00 13.45 O HETATM 823 O HOH 27 1.872 5.724 27.134 1.00 17.19 O HETATM 824 O HOH 28 12.729 9.408 12.229 1.00 13.94 O HETATM 825 O HOH 29 -3.318 14.986 2.231 1.00 19.52 O HETATM 826 O HOH 30 9.923 20.641 4.576 1.00 14.18 O HETATM 827 O HOH 31 11.375 7.727 14.032 1.00 15.07 O HETATM 828 O HOH 32 -4.645 22.028 10.086 1.00 17.90 O HETATM 829 O HOH 33 10.133 7.818 22.261 1.00 16.81 O HETATM 830 O HOH 34 1.638 11.892 4.944 1.00 18.21 O HETATM 831 O HOH 35 -10.218 15.571 19.679 1.00 18.46 O HETATM 832 O HOH 36 -2.450 23.005 27.875 1.00 23.32 O HETATM 833 O HOH 37 -4.192 5.727 21.099 1.00 14.59 O HETATM 834 O HOH 38 11.881 11.963 6.198 1.00 17.00 O HETATM 835 O HOH 39 9.085 7.125 12.377 1.00 20.20 O HETATM 836 O HOH 40 1.484 32.012 11.198 1.00 19.74 O HETATM 837 O HOH 41 3.663 9.015 5.123 1.00 16.89 O HETATM 838 O HOH 42 0.055 22.906 26.974 1.00 17.75 O HETATM 839 O HOH 43 5.839 14.171 0.171 1.00 18.37 O HETATM 840 O HOH 44 5.996 12.414 2.579 1.00 20.27 O HETATM 841 O HOH 45 8.916 8.599 10.144 1.00 21.91 O HETATM 842 O HOH 46 -2.494 19.494 25.124 1.00 20.00 O HETATM 843 O HOH 47 -3.220 16.574 28.786 1.00 17.10 O HETATM 844 O HOH 48 -13.934 12.227 15.284 1.00 20.89 O HETATM 845 O HOH 49 10.625 23.432 4.586 1.00 21.75 O HETATM 846 O HOH 50 -8.235 14.193 24.415 1.00 26.56 O HETATM 847 O HOH 51 6.142 36.107 14.208 1.00 20.90 O HETATM 848 O HOH 52 -8.972 13.841 9.645 1.00 28.94 O HETATM 849 O HOH 53 12.974 19.085 4.529 1.00 25.35 O HETATM 850 O HOH 54 -4.309 30.838 11.662 1.00 21.71 O HETATM 851 O HOH 55 17.067 16.007 12.129 1.00 25.23 O HETATM 852 O HOH 56 15.520 36.096 9.298 1.00 28.20 O HETATM 853 O HOH 57 -1.251 18.838 -2.257 1.00 22.44 O HETATM 854 O HOH 58 7.759 14.688 -1.795 1.00 32.79 O HETATM 855 O HOH 59 14.006 10.080 16.971 1.00 22.24 O HETATM 856 O HOH 60 -11.576 15.047 14.466 1.00 29.33 O HETATM 857 O HOH 61 9.810 11.759 4.435 1.00 20.83 O HETATM 858 O HOH 62 -9.203 19.486 13.552 1.00 36.03 O HETATM 859 O HOH 63 17.311 35.473 11.376 1.00 24.86 O HETATM 860 O HOH 64 7.859 5.172 23.139 1.00 27.42 O HETATM 861 O HOH 65 -0.159 10.398 5.777 1.00 24.23 O HETATM 862 O HOH 66 5.018 3.122 16.467 1.00 27.80 O HETATM 863 O HOH 67 17.183 11.518 19.655 1.00 41.57 O HETATM 864 O HOH 68 6.575 28.570 7.581 1.00 34.05 O HETATM 865 O HOH 69 14.835 8.136 21.102 1.00 29.19 O HETATM 866 O HOH 70 3.413 10.843 3.229 1.00 34.39 O HETATM 867 O HOH 71 14.533 13.058 4.990 1.00 45.43 O HETATM 868 O HOH 72 -5.827 17.056 29.289 1.00 39.00 O HETATM 869 O HOH 73 -1.164 15.504 -0.665 1.00 28.71 O HETATM 870 O HOH 74 -2.838 25.679 27.955 1.00 18.45 O HETATM 871 O HOH 75 5.291 5.348 26.372 1.00 23.44 O HETATM 872 O HOH 76 8.094 38.078 13.600 1.00 24.85 O HETATM 873 O HOH 77 15.871 9.534 18.847 1.00 28.02 O HETATM 874 O HOH 78 12.871 32.197 21.643 1.00 27.28 O HETATM 875 O HOH 79 7.135 5.500 6.694 1.00 33.62 O HETATM 876 O HOH 80 15.207 17.094 5.076 1.00 34.52 O HETATM 877 O HOH 81 -10.497 14.976 11.738 1.00 33.75 O HETATM 878 O HOH 82 3.842 12.567 -0.817 1.00 28.69 O HETATM 879 O HOH 83 14.212 33.217 5.239 1.00 27.42 O HETATM 880 O HOH 84 7.327 2.405 23.002 1.00 40.08 O HETATM 881 O HOH 85 11.900 9.708 7.499 1.00 34.06 O HETATM 882 O HOH 86 -6.143 16.120 31.382 1.00 39.40 O HETATM 883 O HOH 87 10.630 37.376 14.107 1.00 32.41 O HETATM 884 O HOH 88 9.377 30.730 6.504 1.00 44.29 O HETATM 885 O HOH 89 -9.839 18.531 21.337 1.00 37.67 O HETATM 886 O HOH 90 15.351 13.825 21.520 1.00 41.88 O HETATM 887 O HOH 91 15.400 17.343 7.447 1.00 42.63 O HETATM 888 O HOH 92 -8.472 25.044 16.267 1.00 38.39 O HETATM 889 O HOH 93 -9.479 22.578 17.115 1.00 40.53 O HETATM 890 O HOH 94 -8.985 19.763 6.599 1.00 41.95 O HETATM 891 O HOH 95 -9.184 18.393 11.305 1.00 39.49 O HETATM 892 O HOH 96 15.465 18.438 1.784 1.00 40.80 O HETATM 893 O HOH 97 -4.852 24.016 7.749 1.00 36.80 O HETATM 894 O HOH 98 -8.072 20.999 10.978 1.00 36.59 O HETATM 895 O HOH 99 -2.267 17.047 26.494 1.00 17.05 O HETATM 896 O HOH 100 -10.326 11.865 9.124 1.00 19.83 O HETATM 897 O HOH 101 -1.038 8.686 4.167 1.00 25.14 O HETATM 898 O HOH 102 17.992 23.692 13.404 1.00 25.94 O HETATM 899 O HOH 103 12.411 8.697 22.419 1.00 32.87 O HETATM 900 O HOH 104 10.236 6.130 24.820 1.00 32.76 O HETATM 901 O HOH 105 -9.885 16.037 23.094 1.00 37.51 O HETATM 902 O HOH 106 4.813 2.898 22.311 1.00 32.47 O HETATM 903 O HOH 107 7.963 33.217 20.230 1.00 32.62 O HETATM 904 O HOH 108 5.070 0.782 15.297 1.00 36.84 O HETATM 905 O HOH 109 -1.639 12.429 2.156 1.00 35.46 O HETATM 906 O HOH 110 2.067 36.760 7.667 1.00 41.33 O HETATM 907 O HOH 111 11.019 34.370 21.505 1.00 38.55 O HETATM 908 O HOH 112 14.426 27.290 16.654 1.00 19.29 O HETATM 909 O HOH 113 3.844 19.089 24.181 1.00 6.64 O HETATM 910 O HOH 114 10.514 26.343 23.646 1.00 6.97 O HETATM 911 O HOH 115 12.635 20.919 24.945 1.00 6.92 O HETATM 912 O HOH 116 16.774 19.581 16.073 1.00 18.80 O HETATM 913 O HOH 117 12.832 27.770 23.375 1.00 16.55 O HETATM 914 O HOH 118 13.661 23.686 24.063 1.00 25.05 O HETATM 915 O HOH 119 13.519 29.772 21.409 1.00 33.62 O HETATM 916 O HOH 120 20.515 29.303 16.834 1.00 30.97 O HETATM 917 O HOH 121 18.041 23.923 21.397 1.00 28.22 O HETATM 918 O HOH 122 17.122 17.172 17.499 1.00 32.29 O HETATM 919 O HOH 123 17.977 20.213 13.676 1.00 26.07 O HETATM 920 O HOH 124 16.685 18.139 21.985 1.00 28.10 O HETATM 921 O HOH 125 15.428 20.375 23.346 1.00 38.57 O HETATM 922 N SER A 126 21.766 21.712 17.232 1.00 0.24 N HETATM 923 CA SER A 126 20.971 22.142 16.086 1.00 0.09 C HETATM 924 C SER A 126 21.335 23.563 15.649 1.00 0.23 C HETATM 925 O SER A 126 21.725 24.392 16.473 1.00 -0.39 O HETATM 926 N SER A 126 21.215 23.833 14.351 1.00 -0.26 N HETATM 927 CA SER A 126 21.501 25.160 13.812 1.00 0.13 C HETATM 928 C SER A 126 20.712 26.217 14.573 1.00 0.20 C HETATM 929 O SER A 126 21.247 27.258 14.955 1.00 -0.39 O HETATM 930 N SER A 126 19.433 25.938 14.788 1.00 -0.26 N HETATM 931 CA SER A 126 18.579 26.813 15.573 1.00 0.14 C HETATM 932 C SER A 126 18.031 26.034 16.760 1.00 0.21 C HETATM 933 O SER A 126 18.179 24.817 16.814 1.00 -0.39 O HETATM 934 N SER A 126 17.388 26.728 17.714 1.00 -0.25 N HETATM 935 CA SER A 126 16.876 26.035 18.904 1.00 0.13 C HETATM 936 C SER A 126 15.927 24.883 18.568 1.00 0.20 C HETATM 937 O SER A 126 15.229 24.926 17.557 1.00 -0.39 O HETATM 938 N SER A 126 15.928 23.861 19.414 1.00 -0.26 N HETATM 939 CA SER A 126 15.063 22.707 19.230 1.00 0.16 C HETATM 940 C SER A 126 14.244 22.525 20.492 1.00 0.21 C HETATM 941 O SER A 126 14.764 22.669 21.597 1.00 -0.39 O HETATM 942 N SER A 126 12.962 22.205 20.335 1.00 -0.26 N HETATM 943 CA SER A 126 12.106 21.872 21.461 1.00 0.15 C HETATM 944 C SER A 126 11.517 20.486 21.264 1.00 0.21 C HETATM 945 O SER A 126 11.089 20.137 20.153 1.00 -0.39 O HETATM 946 N SER A 126 11.501 19.699 22.335 1.00 -0.26 N HETATM 947 CA SER A 126 10.825 18.407 22.337 1.00 0.13 C HETATM 948 C SER A 126 9.406 18.645 22.830 1.00 0.20 C HETATM 949 O SER A 126 9.208 19.261 23.879 1.00 -0.39 O HETATM 950 N SER A 126 8.423 18.163 22.074 1.00 -0.27 N HETATM 951 CA SER A 126 7.014 18.425 22.363 1.00 0.10 C HETATM 952 C SER A 126 6.143 17.197 22.130 1.00 0.06 C HETATM 953 O SER A 126 6.605 16.158 21.612 1.00 -0.57 O HETATM 954 OXT SER A 126 4.950 17.252 22.459 1.00 -0.57 O HETATM 955 CB SER A 126 6.462 19.601 21.514 1.00 -0.01 C HETATM 956 CG1 SER A 126 6.508 19.283 20.022 1.00 -0.05 C HETATM 957 CD1 SER A 126 5.875 20.360 19.141 1.00 -0.06 C HETATM 958 H SER A 126 5.947 20.059 18.085 1.00 0.02 H HETATM 959 H SER A 126 6.405 21.312 19.288 1.00 0.02 H HETATM 960 H SER A 126 4.817 20.483 19.416 1.00 0.02 H HETATM 961 H SER A 126 5.972 18.337 19.852 1.00 0.03 H HETATM 962 H SER A 126 7.561 19.166 19.725 1.00 0.03 H HETATM 963 CG2 SER A 126 7.223 20.895 21.797 1.00 -0.06 C HETATM 964 H SER A 126 7.184 21.115 22.874 1.00 0.02 H HETATM 965 H SER A 126 6.762 21.722 21.237 1.00 0.02 H HETATM 966 H SER A 126 8.271 20.780 21.484 1.00 0.02 H HETATM 967 H SER A 126 5.410 19.755 21.797 1.00 0.03 H HETATM 968 H SER A 126 6.938 18.702 23.425 1.00 0.07 H HETATM 969 H SER A 126 8.656 17.602 21.280 1.00 0.19 H HETATM 970 CB SER A 126 11.540 17.431 23.290 1.00 -0.00 C HETATM 971 CG1 SER A 126 13.003 17.235 22.883 1.00 -0.05 C HETATM 972 CD1 SER A 126 13.887 16.759 24.031 1.00 -0.06 C HETATM 973 H SER A 126 14.920 16.639 23.673 1.00 0.02 H HETATM 974 H SER A 126 13.514 15.794 24.405 1.00 0.02 H HETATM 975 H SER A 126 13.864 17.501 24.843 1.00 0.02 H HETATM 976 H SER A 126 13.395 18.194 22.515 1.00 0.03 H HETATM 977 H SER A 126 13.045 16.488 22.077 1.00 0.03 H HETATM 978 CG2 SER A 126 10.802 16.108 23.382 1.00 -0.06 C HETATM 979 H SER A 126 9.758 16.290 23.676 1.00 0.02 H HETATM 980 H SER A 126 11.288 15.469 24.134 1.00 0.02 H HETATM 981 H SER A 126 10.825 15.606 22.403 1.00 0.02 H HETATM 982 H SER A 126 11.534 17.882 24.293 1.00 0.03 H HETATM 983 H SER A 126 10.810 17.987 21.320 1.00 0.08 H HETATM 984 H SER A 126 11.967 20.003 23.166 1.00 0.19 H HETATM 985 CB SER A 126 10.969 22.883 21.612 1.00 0.08 C HETATM 986 OG SER A 126 11.470 24.167 21.944 1.00 -0.39 O HETATM 987 H SER A 126 12.054 24.465 21.256 1.00 0.21 H HETATM 988 H SER A 126 10.291 22.545 22.409 1.00 0.06 H HETATM 989 H SER A 126 10.416 22.947 20.663 1.00 0.06 H HETATM 990 H SER A 126 12.712 21.879 22.379 1.00 0.08 H HETATM 991 H SER A 126 12.575 22.193 19.413 1.00 0.19 H HETATM 992 CB SER A 126 15.893 21.447 18.973 1.00 0.09 C HETATM 993 OG1 SER A 126 16.594 21.602 17.737 1.00 -0.39 O HETATM 994 H SER A 126 17.113 20.824 17.569 1.00 0.21 H HETATM 995 CG2 SER A 126 15.004 20.201 18.894 1.00 -0.03 C HETATM 996 H SER A 126 15.630 19.315 18.709 1.00 0.03 H HETATM 997 H SER A 126 14.281 20.317 18.073 1.00 0.03 H HETATM 998 H SER A 126 14.463 20.076 19.843 1.00 0.03 H HETATM 999 H SER A 126 16.616 21.320 19.792 1.00 0.06 H HETATM 1000 H SER A 126 14.394 22.881 18.375 1.00 0.08 H HETATM 1001 H SER A 126 16.543 23.885 20.203 1.00 0.19 H HETATM 1002 CB SER A 126 16.137 27.141 19.675 1.00 -0.01 C HETATM 1003 CG SER A 126 15.925 28.236 18.690 1.00 -0.03 C HETATM 1004 CD SER A 126 17.073 28.165 17.736 1.00 0.04 C HETATM 1005 H SER A 126 16.781 28.522 16.737 1.00 0.05 H HETATM 1006 H SER A 126 17.928 28.753 18.101 1.00 0.05 H HETATM 1007 H SER A 126 15.912 29.211 19.200 1.00 0.03 H HETATM 1008 H SER A 126 14.975 28.090 18.155 1.00 0.03 H HETATM 1009 H SER A 126 16.747 27.495 20.519 1.00 0.03 H HETATM 1010 H SER A 126 15.172 26.769 20.051 1.00 0.03 H HETATM 1011 H SER A 126 17.712 25.640 19.500 1.00 0.08 H HETATM 1012 CB SER A 126 17.443 27.339 14.706 1.00 0.02 C HETATM 1013 CG SER A 126 17.908 28.050 13.472 1.00 -0.04 C HETATM 1014 CD1 SER A 126 18.583 29.256 13.564 1.00 -0.06 C HETATM 1015 CE1 SER A 126 19.011 29.916 12.427 1.00 -0.07 C HETATM 1016 CZ SER A 126 18.765 29.374 11.185 1.00 -0.07 C HETATM 1017 CE2 SER A 126 18.091 28.178 11.077 1.00 -0.07 C HETATM 1018 CD2 SER A 126 17.666 27.519 12.216 1.00 -0.06 C HETATM 1019 H SER A 126 17.138 26.577 12.125 1.00 0.06 H HETATM 1020 H SER A 126 17.894 27.753 10.099 1.00 0.06 H HETATM 1021 H SER A 126 19.102 29.889 10.293 1.00 0.06 H HETATM 1022 H SER A 126 19.539 30.859 12.513 1.00 0.06 H HETATM 1023 H SER A 126 18.778 29.688 14.539 1.00 0.06 H HETATM 1024 H SER A 126 16.844 28.040 15.306 1.00 0.05 H HETATM 1025 H SER A 126 16.816 26.488 14.401 1.00 0.05 H HETATM 1026 H SER A 126 19.171 27.664 15.942 1.00 0.08 H HETATM 1027 H SER A 126 19.046 25.102 14.399 1.00 0.19 H HETATM 1028 CB SER A 126 21.160 25.222 12.320 1.00 -0.01 C HETATM 1029 CG SER A 126 21.405 26.584 11.681 1.00 -0.02 C HETATM 1030 CD SER A 126 21.311 26.528 10.158 1.00 0.06 C HETATM 1031 NE SER A 126 19.968 26.198 9.685 1.00 -0.27 N HETATM 1032 CZ SER A 126 19.598 24.997 9.251 1.00 0.29 C HETATM 1033 NH1 SER A 126 20.474 24.001 9.224 1.00 -0.28 N HETATM 1034 H SER A 126 20.186 23.071 8.888 1.00 0.26 H HETATM 1035 H SER A 126 21.442 24.158 9.540 1.00 0.26 H HETATM 1036 NH2 SER A 126 18.353 24.791 8.839 1.00 -0.28 N HETATM 1037 H SER A 126 17.670 25.562 8.858 1.00 0.26 H HETATM 1038 H SER A 126 18.070 23.860 8.500 1.00 0.26 H HETATM 1039 H SER A 126 19.260 26.947 9.688 1.00 0.26 H HETATM 1040 H SER A 126 22.011 25.763 9.791 1.00 0.07 H HETATM 1041 H SER A 126 21.595 27.510 9.752 1.00 0.07 H HETATM 1042 H SER A 126 22.410 26.932 11.962 1.00 0.03 H HETATM 1043 H SER A 126 20.653 27.293 12.057 1.00 0.03 H HETATM 1044 H SER A 126 20.096 24.970 12.198 1.00 0.03 H HETATM 1045 H SER A 126 21.776 24.478 11.794 1.00 0.03 H HETATM 1046 H SER A 126 22.575 25.365 13.935 1.00 0.08 H HETATM 1047 H SER A 126 20.921 23.108 13.728 1.00 0.19 H HETATM 1048 CB SER A 126 19.474 22.036 16.401 1.00 0.10 C HETATM 1049 OG SER A 126 19.149 22.683 17.623 1.00 -0.39 O HETATM 1050 H SER A 126 18.217 22.598 17.787 1.00 0.21 H HETATM 1051 H SER A 126 19.199 20.974 16.476 1.00 0.06 H HETATM 1052 H SER A 126 18.904 22.506 15.586 1.00 0.06 H HETATM 1053 H SER A 126 21.192 21.465 15.248 1.00 0.11 H HETATM 1054 H SER A 126 21.501 20.775 17.492 1.00 0.20 H HETATM 1055 H SER A 126 21.602 22.335 18.007 1.00 0.20 H HETATM 1056 H SER A 126 22.744 21.729 16.988 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 922 923 1054 1055 1056 CONECT 923 922 924 1048 1053 CONECT 924 923 925 926 CONECT 925 924 CONECT 926 924 927 1047 CONECT 927 926 928 1028 1046 CONECT 928 927 929 930 CONECT 929 928 CONECT 930 928 931 1027 CONECT 931 930 932 1012 1026 CONECT 932 931 933 934 CONECT 933 932 CONECT 934 932 935 1004 CONECT 935 934 936 1002 1011 CONECT 936 935 937 938 CONECT 937 936 CONECT 938 936 939 1001 CONECT 939 938 940 992 1000 CONECT 940 939 941 942 CONECT 941 940 CONECT 942 940 943 991 CONECT 943 942 944 985 990 CONECT 944 943 945 946 CONECT 945 944 CONECT 946 944 947 984 CONECT 947 946 948 970 983 CONECT 948 947 949 950 CONECT 949 948 CONECT 950 948 951 969 CONECT 951 950 952 955 968 CONECT 952 951 953 954 CONECT 953 952 CONECT 954 952 CONECT 955 951 956 963 967 CONECT 956 955 957 961 962 CONECT 957 956 958 959 960 CONECT 958 957 CONECT 959 957 CONECT 960 957 CONECT 961 956 CONECT 962 956 CONECT 963 955 964 965 966 CONECT 964 963 CONECT 965 963 CONECT 966 963 CONECT 967 955 CONECT 968 951 CONECT 969 950 CONECT 970 947 971 978 982 CONECT 971 970 972 976 977 CONECT 972 971 973 974 975 CONECT 973 972 CONECT 974 972 CONECT 975 972 CONECT 976 971 CONECT 977 971 CONECT 978 970 979 980 981 CONECT 979 978 CONECT 980 978 CONECT 981 978 CONECT 982 970 CONECT 983 947 CONECT 984 946 CONECT 985 943 986 988 989 CONECT 986 985 987 CONECT 987 986 CONECT 988 985 CONECT 989 985 CONECT 990 943 CONECT 991 942 CONECT 992 939 993 995 999 CONECT 993 992 994 CONECT 994 993 CONECT 995 992 996 997 998 CONECT 996 995 CONECT 997 995 CONECT 998 995 CONECT 999 992 CONECT 1000 939 CONECT 1001 938 CONECT 1002 935 1003 1009 1010 CONECT 1003 1002 1004 1007 1008 CONECT 1004 934 1003 1005 1006 CONECT 1005 1004 CONECT 1006 1004 CONECT 1007 1003 CONECT 1008 1003 CONECT 1009 1002 CONECT 1010 1002 CONECT 1011 935 CONECT 1012 931 1013 1024 1025 CONECT 1013 1012 1014 1018 CONECT 1014 1013 1015 1023 CONECT 1015 1014 1016 1022 CONECT 1016 1015 1017 1021 CONECT 1017 1016 1018 1020 CONECT 1018 1013 1017 1019 CONECT 1019 1018 CONECT 1020 1017 CONECT 1021 1016 CONECT 1022 1015 CONECT 1023 1014 CONECT 1024 1012 CONECT 1025 1012 CONECT 1026 931 CONECT 1027 930 CONECT 1028 927 1029 1044 1045 CONECT 1029 1028 1030 1042 1043 CONECT 1030 1029 1031 1040 1041 CONECT 1031 1030 1032 1039 CONECT 1032 1031 1033 1036 CONECT 1033 1032 1034 1035 CONECT 1034 1033 CONECT 1035 1033 CONECT 1036 1032 1037 1038 CONECT 1037 1036 CONECT 1038 1036 CONECT 1039 1031 CONECT 1040 1030 CONECT 1041 1030 CONECT 1042 1029 CONECT 1043 1029 CONECT 1044 1028 CONECT 1045 1028 CONECT 1046 927 CONECT 1047 926 CONECT 1048 923 1049 1051 1052 CONECT 1049 1048 1050 CONECT 1050 1049 CONECT 1051 1048 CONECT 1052 1048 CONECT 1053 923 CONECT 1054 922 CONECT 1055 922 CONECT 1056 922 MASTER 0 0 0 0 0 0 0 0 1055 1 139 7 END
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Related entries of code: 4joj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4e34
RCSB PDB
PDBbind
87aa, >4E34_1|Chains... *
4e35
RCSB PDB
PDBbind
87aa, >4E35_1|Chains... at 100%
4joe
RCSB PDB
PDBbind
87aa, >4JOE_1|Chains... at 100%
4jof
RCSB PDB
PDBbind
87aa, >4JOF_1|Chains... at 100%
4jog
RCSB PDB
PDBbind
87aa, >4JOG_1|Chains... at 100%
4joh
RCSB PDB
PDBbind
87aa, >4JOH_1|Chains... at 100%
4jok
RCSB PDB
PDBbind
87aa, >4JOK_1|Chains... at 100%
4k6y
RCSB PDB
PDBbind
87aa, >4K6Y_1|Chains... at 100%
4k72
RCSB PDB
PDBbind
87aa, >4K72_1|Chains... at 100%
4k75
RCSB PDB
PDBbind
87aa, >4K75_1|Chain... at 100%
4k76
RCSB PDB
PDBbind
87aa, >4K76_1|Chains... at 100%
4k78
RCSB PDB
PDBbind
87aa, >4K78_1|Chain... at 98%
4nmo
RCSB PDB
PDBbind
87aa, >4NMO_1|Chains... at 100%
4nmp
RCSB PDB
PDBbind
87aa, >4NMP_1|Chains... at 100%
4nmq
RCSB PDB
PDBbind
87aa, >4NMQ_1|Chains... at 100%
4nmr
RCSB PDB
PDBbind
87aa, >4NMR_1|Chains... at 100%
4nms
RCSB PDB
PDBbind
87aa, >4NMS_1|Chains... at 100%
4nmt
RCSB PDB
PDBbind
87aa, >4NMT_1|Chains... at 100%
4nmv
RCSB PDB
PDBbind
87aa, >4NMV_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4joj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CFTR Associated Ligand (CAL) domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Ki=110uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Structure Vol. 22: pp. 82-93
Ligand Properties
Formula
C
4
2
H
7
1
N
1
1
O
1
2
Molecular Weight
922.080
Exact Mass
921.528
No. of atoms
136
No. of bonds
137
Polar Surface Area
386.55
LOGP Value
-1.16 (
Computed with XLOGP3
)
-2.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)[C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CO)[NH3+])CCC[NH+]=C(N)N
InChI String
InChI=1S/C42H69N11O12/c1-6-22(3)31(38(61)51-32(41(64)65)23(4)7-2)50-36(59)29(21-55)49-39(62)33(24(5)56)52-37(60)30-16-12-18-53(30)40(63)28(19-25-13-9-8-10-14-25)48-35(58)27(15-11-17-46-42(44)45)47-34(57)26(43)20-54/h8-10,13-14,22-24,26-33,54-56H,6-7,11-12,15-21,43H2,1-5H3,(H,47,57)(H,48,58)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,64,65)(H4,44,45,46)/p+2/t22-,23-,24+,26-,27-,28-,29-,30-,31-,32-,33-/m0/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):
Q9HD26
Entrez Gene ID
NCBI Entrez Gene ID:
57120
ASD
Information of known allosteric effects of PDB entries
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