Browse entries in the PDBbind-CN Database
HEADER 4NMR_COMPLEX COMPND 4NMR_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 ALA A 222 165 ATOM 1 N GLY A 284 11.247 18.314 -0.628 1.00 8.39 N ATOM 2 CA GLY A 284 10.203 17.317 -0.774 1.00 8.65 C ATOM 3 C GLY A 284 8.813 17.908 -0.624 1.00 6.29 C ATOM 4 O GLY A 284 8.659 19.106 -0.397 1.00 8.06 O ATOM 5 HN3 GLY A 284 11.182 18.747 0.315 1.00 0.00 H ATOM 6 HN2 GLY A 284 11.129 19.047 -1.356 1.00 0.00 H ATOM 7 HN1 GLY A 284 12.176 17.860 -0.739 1.00 0.00 H ATOM 8 N PRO A 285 7.786 17.058 -0.736 1.00 5.57 N ATOM 9 CA PRO A 285 6.400 17.527 -0.630 1.00 6.02 C ATOM 10 C PRO A 285 6.003 17.866 0.811 1.00 6.90 C ATOM 11 O PRO A 285 6.416 17.191 1.746 1.00 7.15 O ATOM 12 CB PRO A 285 5.600 16.318 -1.115 1.00 11.56 C ATOM 13 CG PRO A 285 6.428 15.154 -0.708 1.00 8.82 C ATOM 14 CD PRO A 285 7.865 15.594 -0.898 1.00 6.66 C ATOM 15 N ILE A 286 5.188 18.901 0.988 1.00 5.62 N ATOM 16 CA ILE A 286 4.642 19.185 2.303 1.00 5.17 C ATOM 17 C ILE A 286 3.570 18.132 2.587 1.00 7.82 C ATOM 18 O ILE A 286 2.734 17.846 1.722 1.00 11.35 O ATOM 19 CB ILE A 286 4.005 20.586 2.358 1.00 8.13 C ATOM 20 CG1 ILE A 286 5.048 21.671 2.080 1.00 8.76 C ATOM 21 CG2 ILE A 286 3.319 20.811 3.703 1.00 10.45 C ATOM 22 CD1 ILE A 286 4.456 23.074 2.054 1.00 9.51 C ATOM 23 H ILE A 286 4.941 19.510 0.182 1.00 0.00 H ATOM 24 N ARG A 287 3.611 17.556 3.789 1.00 6.89 N ATOM 25 CA ARG A 287 2.679 16.502 4.185 1.00 5.36 C ATOM 26 C ARG A 287 1.840 16.969 5.366 1.00 7.47 C ATOM 27 O ARG A 287 2.331 17.711 6.225 1.00 7.93 O ATOM 28 CB ARG A 287 3.437 15.239 4.604 1.00 6.83 C ATOM 29 CG ARG A 287 4.330 14.632 3.528 1.00 6.46 C ATOM 30 CD ARG A 287 5.815 14.760 3.901 1.00 5.45 C ATOM 31 NE ARG A 287 6.105 14.059 5.156 1.00 6.05 N ATOM 32 CZ ARG A 287 7.218 14.218 5.870 1.00 9.16 C ATOM 33 NH1 ARG A 287 8.166 15.062 5.465 1.00 6.70 N ATOM 34 NH2 ARG A 287 7.381 13.542 7.003 1.00 7.17 N ATOM 35 HE ARG A 287 5.392 13.391 5.513 1.00 0.00 H ATOM 36 HH12 ARG A 287 9.032 15.180 6.028 1.00 0.00 H ATOM 37 HH11 ARG A 287 8.040 15.603 4.585 1.00 0.00 H ATOM 38 HH22 ARG A 287 8.250 13.665 7.562 1.00 0.00 H ATOM 39 HH21 ARG A 287 6.640 12.890 7.331 1.00 0.00 H ATOM 40 H ARG A 287 4.333 17.868 4.470 1.00 0.00 H ATOM 41 N LYS A 288 0.577 16.552 5.397 1.00 6.05 N ATOM 42 CA LYS A 288 -0.247 16.708 6.588 1.00 7.76 C ATOM 43 C LYS A 288 -0.259 15.366 7.313 1.00 5.61 C ATOM 44 O LYS A 288 -0.652 14.337 6.747 1.00 11.61 O ATOM 45 CB LYS A 288 -1.681 17.129 6.245 1.00 10.25 C ATOM 46 CG LYS A 288 -1.807 18.475 5.550 1.00 24.44 C ATOM 47 CD LYS A 288 -1.656 19.632 6.516 1.00 33.04 C ATOM 48 CE LYS A 288 -2.152 20.929 5.887 1.00 39.20 C ATOM 49 NZ LYS A 288 -3.607 20.866 5.550 1.00 42.86 N ATOM 50 HZ1 LYS A 288 -3.772 20.093 4.875 1.00 0.00 H ATOM 51 HZ2 LYS A 288 -4.155 20.694 6.417 1.00 0.00 H ATOM 52 HZ3 LYS A 288 -3.902 21.768 5.125 1.00 0.00 H ATOM 53 H LYS A 288 0.169 16.104 4.552 1.00 0.00 H ATOM 54 N VAL A 289 0.179 15.383 8.565 1.00 6.87 N ATOM 55 CA VAL A 289 0.423 14.160 9.332 1.00 3.82 C ATOM 56 C VAL A 289 -0.371 14.193 10.627 1.00 7.12 C ATOM 57 O VAL A 289 -0.316 15.177 11.370 1.00 8.75 O ATOM 58 CB VAL A 289 1.940 14.007 9.640 1.00 5.34 C ATOM 59 CG1 VAL A 289 2.199 12.834 10.558 1.00 8.67 C ATOM 60 CG2 VAL A 289 2.728 13.833 8.348 1.00 5.44 C ATOM 61 H VAL A 289 0.356 16.301 9.020 1.00 0.00 H ATOM 62 N LEU A 290 -1.122 13.127 10.893 1.00 5.25 N ATOM 63 CA LEU A 290 -1.922 13.067 12.097 1.00 6.08 C ATOM 64 C LEU A 290 -1.198 12.311 13.200 1.00 4.81 C ATOM 65 O LEU A 290 -0.587 11.257 12.958 1.00 5.52 O ATOM 66 CB LEU A 290 -3.266 12.398 11.800 1.00 6.58 C ATOM 67 CG LEU A 290 -4.282 12.336 12.939 1.00 12.73 C ATOM 68 CD1 LEU A 290 -4.748 13.727 13.321 1.00 8.82 C ATOM 69 CD2 LEU A 290 -5.465 11.479 12.530 1.00 13.02 C ATOM 70 H LEU A 290 -1.134 12.328 10.228 1.00 0.00 H ATOM 71 N LEU A 291 -1.278 12.845 14.411 1.00 4.31 N ATOM 72 CA LEU A 291 -0.707 12.188 15.577 1.00 6.25 C ATOM 73 C LEU A 291 -1.776 12.122 16.655 1.00 7.65 C ATOM 74 O LEU A 291 -2.406 13.139 16.968 1.00 6.87 O ATOM 75 CB LEU A 291 0.540 12.961 16.047 1.00 6.85 C ATOM 76 CG LEU A 291 1.316 12.447 17.258 1.00 5.72 C ATOM 77 CD1 LEU A 291 2.718 13.011 17.241 1.00 7.48 C ATOM 78 CD2 LEU A 291 0.605 12.804 18.546 1.00 8.23 C ATOM 79 H LEU A 291 -1.762 13.758 14.531 1.00 0.00 H ATOM 80 N LEU A 292 -2.021 10.921 17.175 1.00 4.14 N ATOM 81 CA LEU A 292 -2.958 10.744 18.276 1.00 6.76 C ATOM 82 C LEU A 292 -2.166 10.613 19.576 1.00 7.58 C ATOM 83 O LEU A 292 -1.349 9.700 19.723 1.00 8.32 O ATOM 84 CB LEU A 292 -3.841 9.510 18.068 1.00 7.53 C ATOM 85 CG LEU A 292 -4.598 9.373 16.741 1.00 14.52 C ATOM 86 CD1 LEU A 292 -5.552 8.180 16.771 1.00 8.37 C ATOM 87 CD2 LEU A 292 -5.351 10.633 16.386 1.00 10.67 C ATOM 88 H LEU A 292 -1.532 10.090 16.786 1.00 0.00 H ATOM 89 N LYS A 293 -2.422 11.530 20.502 1.00 8.77 N ATOM 90 CA LYS A 293 -1.705 11.621 21.768 1.00 8.84 C ATOM 91 C LYS A 293 -2.714 11.491 22.896 1.00 6.94 C ATOM 92 O LYS A 293 -3.781 12.102 22.842 1.00 8.48 O ATOM 93 CB LYS A 293 -1.006 12.987 21.857 1.00 12.23 C ATOM 94 CG LYS A 293 -0.124 13.191 23.084 1.00 8.78 C ATOM 95 CD LYS A 293 0.454 14.593 23.167 1.00 10.71 C ATOM 96 CE LYS A 293 -0.542 15.562 23.759 1.00 9.18 C ATOM 97 NZ LYS A 293 -0.970 15.156 25.131 1.00 7.26 N ATOM 98 HZ1 LYS A 293 -1.415 14.217 25.090 1.00 0.00 H ATOM 99 HZ2 LYS A 293 -0.139 15.121 25.756 1.00 0.00 H ATOM 100 HZ3 LYS A 293 -1.653 15.849 25.499 1.00 0.00 H ATOM 101 H LYS A 293 -3.176 12.221 20.314 1.00 0.00 H ATOM 102 N GLU A 294 -2.400 10.694 23.915 1.00 6.08 N ATOM 103 CA GLU A 294 -3.272 10.644 25.092 1.00 6.22 C ATOM 104 C GLU A 294 -2.983 11.856 25.970 1.00 6.37 C ATOM 105 O GLU A 294 -1.871 12.384 25.966 1.00 6.71 O ATOM 106 CB GLU A 294 -3.108 9.339 25.891 1.00 8.31 C ATOM 107 CG GLU A 294 -3.329 8.045 25.094 1.00 8.63 C ATOM 108 CD GLU A 294 -4.777 7.802 24.673 1.00 9.88 C ATOM 109 OE1 GLU A 294 -5.664 8.578 25.068 1.00 8.60 O ATOM 110 OE2 GLU A 294 -5.025 6.826 23.930 1.00 8.48 O ATOM 111 H GLU A 294 -1.540 10.110 23.876 1.00 0.00 H ATOM 112 N ASP A 295 -3.995 12.312 26.698 1.00 6.81 N ATOM 113 CA ASP A 295 -3.839 13.494 27.544 1.00 5.83 C ATOM 114 C ASP A 295 -2.753 13.318 28.610 1.00 8.26 C ATOM 115 O ASP A 295 -2.216 14.298 29.129 1.00 8.90 O ATOM 116 CB ASP A 295 -5.180 13.890 28.180 1.00 9.15 C ATOM 117 CG ASP A 295 -6.146 14.494 27.176 1.00 12.17 C ATOM 118 OD1 ASP A 295 -5.692 14.860 26.079 1.00 9.89 O ATOM 119 OD2 ASP A 295 -7.360 14.607 27.472 1.00 15.69 O ATOM 120 H ASP A 295 -4.912 11.822 26.666 1.00 0.00 H ATOM 121 N HIS A 296 -2.408 12.074 28.925 1.00 5.97 N ATOM 122 CA HIS A 296 -1.435 11.810 29.979 1.00 5.74 C ATOM 123 C HIS A 296 0.016 11.722 29.510 1.00 5.82 C ATOM 124 O HIS A 296 0.894 11.406 30.307 1.00 6.83 O ATOM 125 CB HIS A 296 -1.794 10.524 30.742 1.00 4.92 C ATOM 126 CG HIS A 296 -1.970 9.319 29.862 1.00 4.55 C ATOM 127 ND1 HIS A 296 -3.205 8.761 29.599 1.00 8.65 N ATOM 128 CD2 HIS A 296 -1.065 8.543 29.217 1.00 8.58 C ATOM 129 CE1 HIS A 296 -3.055 7.703 28.820 1.00 7.06 C ATOM 130 NE2 HIS A 296 -1.764 7.548 28.572 1.00 4.51 N ATOM 131 H HIS A 296 -2.838 11.277 28.413 1.00 0.00 H ATOM 132 N GLU A 297 0.271 11.989 28.230 1.00 6.81 N ATOM 133 CA GLU A 297 1.630 11.847 27.698 1.00 7.24 C ATOM 134 C GLU A 297 2.027 13.018 26.788 1.00 5.02 C ATOM 135 O GLU A 297 1.174 13.795 26.350 1.00 6.70 O ATOM 136 CB GLU A 297 1.772 10.512 26.950 1.00 7.91 C ATOM 137 CG GLU A 297 0.960 10.467 25.671 1.00 7.17 C ATOM 138 CD GLU A 297 0.742 9.054 25.129 1.00 9.41 C ATOM 139 OE1 GLU A 297 1.484 8.121 25.510 1.00 10.19 O ATOM 140 OE2 GLU A 297 -0.182 8.888 24.312 1.00 7.26 O ATOM 141 H GLU A 297 -0.499 12.300 27.604 1.00 0.00 H ATOM 142 N GLY A 298 3.328 13.140 26.526 1.00 5.73 N ATOM 143 CA GLY A 298 3.830 14.132 25.587 1.00 6.93 C ATOM 144 C GLY A 298 3.850 13.567 24.177 1.00 5.87 C ATOM 145 O GLY A 298 3.356 12.456 23.935 1.00 7.12 O ATOM 146 H GLY A 298 4.002 12.510 27.005 1.00 0.00 H ATOM 147 N LEU A 299 4.430 14.322 23.248 1.00 5.44 N ATOM 148 CA LEU A 299 4.430 13.943 21.835 1.00 4.78 C ATOM 149 C LEU A 299 5.480 12.882 21.510 1.00 4.26 C ATOM 150 O LEU A 299 5.279 12.072 20.604 1.00 9.09 O ATOM 151 CB LEU A 299 4.670 15.166 20.951 1.00 6.25 C ATOM 152 CG LEU A 299 3.577 16.231 20.979 1.00 6.85 C ATOM 153 CD1 LEU A 299 4.131 17.564 20.537 1.00 9.01 C ATOM 154 CD2 LEU A 299 2.357 15.840 20.141 1.00 7.11 C ATOM 155 H LEU A 299 4.896 15.206 23.534 1.00 0.00 H ATOM 156 N GLY A 300 6.616 12.924 22.201 1.00 7.59 N ATOM 157 CA GLY A 300 7.685 11.972 21.934 1.00 8.58 C ATOM 158 C GLY A 300 8.612 12.432 20.818 1.00 8.30 C ATOM 159 O GLY A 300 9.039 11.640 19.975 1.00 8.45 O ATOM 160 H GLY A 300 6.742 13.645 22.940 1.00 0.00 H ATOM 161 N ILE A 301 8.921 13.726 20.821 1.00 8.46 N ATOM 162 CA ILE A 301 9.777 14.335 19.801 1.00 7.60 C ATOM 163 C ILE A 301 10.795 15.223 20.493 1.00 8.66 C ATOM 164 O ILE A 301 10.491 15.793 21.541 1.00 8.25 O ATOM 165 CB ILE A 301 8.949 15.242 18.871 1.00 8.91 C ATOM 166 CG1 ILE A 301 7.779 14.460 18.268 1.00 11.29 C ATOM 167 CG2 ILE A 301 9.831 15.848 17.792 1.00 11.49 C ATOM 168 CD1 ILE A 301 6.734 15.322 17.568 1.00 13.37 C ATOM 169 H ILE A 301 8.539 14.329 21.578 1.00 0.00 H ATOM 170 N SER A 302 12.005 15.313 19.932 1.00 4.16 N ATOM 171 CA SER A 302 12.931 16.403 20.259 1.00 3.43 C ATOM 172 C SER A 302 13.019 17.360 19.075 1.00 8.05 C ATOM 173 O SER A 302 13.047 16.921 17.914 1.00 6.37 O ATOM 174 CB SER A 302 14.324 15.862 20.584 1.00 6.14 C ATOM 175 OG SER A 302 14.265 14.938 21.658 1.00 8.20 O ATOM 176 HG SER A 302 13.677 14.181 21.409 1.00 0.00 H ATOM 177 H SER A 302 12.298 14.590 19.244 1.00 0.00 H ATOM 178 N ILE A 303 13.042 18.666 19.358 1.00 6.40 N ATOM 179 CA ILE A 303 13.165 19.662 18.297 1.00 4.14 C ATOM 180 C ILE A 303 14.336 20.623 18.516 1.00 7.12 C ATOM 181 O ILE A 303 14.734 20.894 19.655 1.00 7.23 O ATOM 182 CB ILE A 303 11.867 20.499 18.112 1.00 6.07 C ATOM 183 CG1 ILE A 303 11.455 21.185 19.420 1.00 11.23 C ATOM 184 CG2 ILE A 303 10.720 19.625 17.593 1.00 7.77 C ATOM 185 CD1 ILE A 303 10.401 22.276 19.220 1.00 9.88 C ATOM 186 H ILE A 303 12.971 18.977 20.348 1.00 0.00 H ATOM 187 N THR A 304 14.861 21.130 17.402 1.00 5.32 N ATOM 188 CA THR A 304 15.842 22.208 17.404 1.00 6.95 C ATOM 189 C THR A 304 15.343 23.329 16.486 1.00 10.13 C ATOM 190 O THR A 304 14.298 23.202 15.847 1.00 9.68 O ATOM 191 CB THR A 304 17.232 21.737 16.916 1.00 10.10 C ATOM 192 OG1 THR A 304 17.156 21.323 15.541 1.00 12.55 O ATOM 193 CG2 THR A 304 17.741 20.600 17.755 1.00 15.41 C ATOM 194 HG1 THR A 304 16.856 22.085 14.984 1.00 0.00 H ATOM 195 H THR A 304 14.557 20.738 16.488 1.00 0.00 H ATOM 196 N GLY A 305 16.081 24.431 16.443 1.00 9.02 N ATOM 197 CA GLY A 305 15.791 25.511 15.511 1.00 7.35 C ATOM 198 C GLY A 305 14.744 26.527 15.936 1.00 7.65 C ATOM 199 O GLY A 305 14.393 26.636 17.112 1.00 8.58 O ATOM 200 H GLY A 305 16.888 24.526 17.092 1.00 0.00 H ATOM 201 N GLY A 306 14.266 27.296 14.964 1.00 7.67 N ATOM 202 CA GLY A 306 13.334 28.378 15.233 1.00 5.93 C ATOM 203 C GLY A 306 13.867 29.709 14.751 1.00 11.23 C ATOM 204 O GLY A 306 15.027 29.812 14.339 1.00 10.91 O ATOM 205 H GLY A 306 14.567 27.119 13.984 1.00 0.00 H ATOM 206 N LYS A 307 13.026 30.733 14.825 1.00 11.13 N ATOM 207 CA LYS A 307 13.322 32.031 14.208 1.00 10.29 C ATOM 208 C LYS A 307 14.685 32.613 14.594 1.00 10.84 C ATOM 209 O LYS A 307 15.415 33.121 13.733 1.00 11.92 O ATOM 210 CB LYS A 307 12.219 33.034 14.539 1.00 9.39 C ATOM 211 CG LYS A 307 12.357 34.400 13.874 1.00 10.16 C ATOM 212 CD LYS A 307 11.314 35.349 14.437 1.00 17.71 C ATOM 213 CE LYS A 307 11.498 36.778 13.947 1.00 25.28 C ATOM 214 NZ LYS A 307 11.226 36.924 12.491 1.00 25.98 N ATOM 215 HZ1 LYS A 307 11.878 36.316 11.955 1.00 0.00 H ATOM 216 HZ2 LYS A 307 10.245 36.642 12.293 1.00 0.00 H ATOM 217 HZ3 LYS A 307 11.366 37.916 12.211 1.00 0.00 H ATOM 218 H LYS A 307 12.129 30.612 15.337 1.00 0.00 H ATOM 219 N GLU A 308 15.028 32.539 15.880 1.00 10.49 N ATOM 220 CA GLU A 308 16.262 33.156 16.359 1.00 11.24 C ATOM 221 C GLU A 308 17.512 32.399 15.891 1.00 9.65 C ATOM 222 O GLU A 308 18.641 32.850 16.105 1.00 12.87 O ATOM 223 CB GLU A 308 16.241 33.304 17.890 1.00 12.25 C ATOM 224 CG GLU A 308 16.551 32.040 18.674 1.00 14.03 C ATOM 225 CD GLU A 308 15.308 31.276 19.092 1.00 13.69 C ATOM 226 OE1 GLU A 308 14.354 31.196 18.287 1.00 12.66 O ATOM 227 OE2 GLU A 308 15.288 30.770 20.233 1.00 15.14 O ATOM 228 H GLU A 308 14.410 32.037 16.549 1.00 0.00 H ATOM 229 N HIS A 309 17.299 31.256 15.241 1.00 9.33 N ATOM 230 CA HIS A 309 18.392 30.467 14.665 1.00 11.06 C ATOM 231 C HIS A 309 18.407 30.539 13.134 1.00 9.87 C ATOM 232 O HIS A 309 19.289 29.975 12.485 1.00 15.00 O ATOM 233 CB HIS A 309 18.305 29.010 15.138 1.00 10.64 C ATOM 234 CG HIS A 309 18.466 28.856 16.617 1.00 11.50 C ATOM 235 ND1 HIS A 309 19.668 29.078 17.258 1.00 22.31 N ATOM 236 CD2 HIS A 309 17.580 28.526 17.586 1.00 13.12 C ATOM 237 CE1 HIS A 309 19.515 28.883 18.555 1.00 20.10 C ATOM 238 NE2 HIS A 309 18.257 28.548 18.781 1.00 14.62 N ATOM 239 H HIS A 309 16.323 30.911 15.139 1.00 0.00 H ATOM 240 N GLY A 310 17.426 31.225 12.556 1.00 10.42 N ATOM 241 CA GLY A 310 17.360 31.377 11.111 1.00 12.61 C ATOM 242 C GLY A 310 17.076 30.093 10.350 1.00 18.33 C ATOM 243 O GLY A 310 17.354 29.988 9.144 1.00 16.42 O ATOM 244 H GLY A 310 16.691 31.662 13.149 1.00 0.00 H ATOM 245 N VAL A 311 16.521 29.113 11.059 1.00 13.26 N ATOM 246 CA VAL A 311 16.143 27.834 10.473 1.00 12.87 C ATOM 247 C VAL A 311 14.770 27.429 11.022 1.00 9.92 C ATOM 248 O VAL A 311 14.326 27.961 12.044 1.00 9.53 O ATOM 249 CB VAL A 311 17.196 26.759 10.782 1.00 16.11 C ATOM 250 CG1 VAL A 311 18.518 27.124 10.115 1.00 16.75 C ATOM 251 CG2 VAL A 311 17.389 26.616 12.283 1.00 9.42 C ATOM 252 H VAL A 311 16.350 29.267 12.073 1.00 0.00 H ATOM 253 N PRO A 312 14.081 26.505 10.337 1.00 10.25 N ATOM 254 CA PRO A 312 12.777 26.015 10.806 1.00 9.18 C ATOM 255 C PRO A 312 12.871 25.277 12.143 1.00 5.36 C ATOM 256 O PRO A 312 13.971 24.890 12.569 1.00 9.56 O ATOM 257 CB PRO A 312 12.380 25.001 9.728 1.00 10.89 C ATOM 258 CG PRO A 312 13.165 25.378 8.528 1.00 14.07 C ATOM 259 CD PRO A 312 14.460 25.915 9.042 1.00 14.53 C ATOM 260 N ILE A 313 11.725 25.082 12.784 1.00 7.07 N ATOM 261 CA ILE A 313 11.604 24.101 13.854 1.00 4.61 C ATOM 262 C ILE A 313 11.855 22.747 13.184 1.00 8.67 C ATOM 263 O ILE A 313 11.174 22.399 12.219 1.00 9.42 O ATOM 264 CB ILE A 313 10.185 24.138 14.486 1.00 5.27 C ATOM 265 CG1 ILE A 313 9.910 25.504 15.145 1.00 7.71 C ATOM 266 CG2 ILE A 313 10.007 22.991 15.477 1.00 7.43 C ATOM 267 CD1 ILE A 313 10.884 25.888 16.260 1.00 8.13 C ATOM 268 H ILE A 313 10.892 25.644 12.515 1.00 0.00 H ATOM 269 N LEU A 314 12.860 22.010 13.657 1.00 6.30 N ATOM 270 CA LEU A 314 13.256 20.742 13.044 1.00 5.40 C ATOM 271 C LEU A 314 13.147 19.596 14.038 1.00 4.19 C ATOM 272 O LEU A 314 13.461 19.751 15.220 1.00 5.30 O ATOM 273 CB LEU A 314 14.710 20.808 12.562 1.00 9.67 C ATOM 274 CG LEU A 314 15.047 21.718 11.375 1.00 21.16 C ATOM 275 CD1 LEU A 314 16.545 21.725 11.121 1.00 28.11 C ATOM 276 CD2 LEU A 314 14.301 21.267 10.130 1.00 22.21 C ATOM 277 H LEU A 314 13.381 22.348 14.491 1.00 0.00 H ATOM 278 N ILE A 315 12.714 18.437 13.560 1.00 6.78 N ATOM 279 CA ILE A 315 12.692 17.255 14.400 1.00 6.23 C ATOM 280 C ILE A 315 14.089 16.660 14.443 1.00 5.38 C ATOM 281 O ILE A 315 14.639 16.282 13.409 1.00 6.76 O ATOM 282 CB ILE A 315 11.677 16.227 13.869 1.00 6.75 C ATOM 283 CG1 ILE A 315 10.270 16.839 13.874 1.00 8.78 C ATOM 284 CG2 ILE A 315 11.753 14.916 14.678 1.00 8.80 C ATOM 285 CD1 ILE A 315 9.152 15.878 13.441 1.00 8.50 C ATOM 286 H ILE A 315 12.388 18.375 12.575 1.00 0.00 H ATOM 287 N SER A 316 14.658 16.584 15.642 1.00 3.95 N ATOM 288 CA SER A 316 15.997 16.021 15.803 1.00 8.08 C ATOM 289 C SER A 316 15.980 14.596 16.347 1.00 6.97 C ATOM 290 O SER A 316 16.952 13.862 16.177 1.00 7.87 O ATOM 291 CB SER A 316 16.871 16.927 16.672 1.00 7.63 C ATOM 292 OG SER A 316 16.434 16.954 18.017 1.00 9.70 O ATOM 293 HG SER A 316 17.025 17.550 18.543 1.00 0.00 H ATOM 294 H SER A 316 14.143 16.930 16.477 1.00 0.00 H ATOM 295 N GLU A 317 14.883 14.209 16.995 1.00 7.54 N ATOM 296 CA GLU A 317 14.715 12.854 17.518 1.00 5.47 C ATOM 297 C GLU A 317 13.236 12.476 17.479 1.00 5.87 C ATOM 298 O GLU A 317 12.360 13.320 17.742 1.00 6.32 O ATOM 299 CB GLU A 317 15.204 12.738 18.968 1.00 5.98 C ATOM 300 CG GLU A 317 16.695 12.978 19.178 1.00 9.52 C ATOM 301 CD GLU A 317 17.158 12.549 20.559 1.00 18.51 C ATOM 302 OE1 GLU A 317 18.158 13.107 21.052 1.00 28.58 O ATOM 303 OE2 GLU A 317 16.522 11.648 21.148 1.00 22.63 O ATOM 304 H GLU A 317 14.116 14.897 17.135 1.00 0.00 H ATOM 305 N ILE A 318 12.974 11.213 17.139 1.00 7.21 N ATOM 306 CA ILE A 318 11.655 10.602 17.306 1.00 6.87 C ATOM 307 C ILE A 318 11.825 9.491 18.333 1.00 9.84 C ATOM 308 O ILE A 318 12.546 8.510 18.086 1.00 10.74 O ATOM 309 CB ILE A 318 11.128 9.987 15.994 1.00 6.76 C ATOM 310 CG1 ILE A 318 10.931 11.058 14.915 1.00 9.21 C ATOM 311 CG2 ILE A 318 9.831 9.223 16.244 1.00 11.99 C ATOM 312 CD1 ILE A 318 9.746 11.974 15.162 1.00 12.73 C ATOM 313 H ILE A 318 13.741 10.637 16.737 1.00 0.00 H ATOM 314 N HIS A 319 11.193 9.648 19.492 1.00 8.08 N ATOM 315 CA HIS A 319 11.444 8.756 20.619 1.00 9.61 C ATOM 316 C HIS A 319 10.713 7.420 20.468 1.00 8.51 C ATOM 317 O HIS A 319 9.487 7.380 20.349 1.00 8.20 O ATOM 318 CB HIS A 319 11.050 9.436 21.932 1.00 8.81 C ATOM 319 CG HIS A 319 11.628 10.809 22.108 1.00 10.83 C ATOM 320 ND1 HIS A 319 11.121 11.714 23.016 1.00 15.38 N ATOM 321 CD2 HIS A 319 12.671 11.427 21.505 1.00 17.85 C ATOM 322 CE1 HIS A 319 11.821 12.834 22.958 1.00 17.33 C ATOM 323 NE2 HIS A 319 12.770 12.685 22.053 1.00 11.17 N ATOM 324 H HIS A 319 10.506 10.422 19.597 1.00 0.00 H ATOM 325 N PRO A 320 11.466 6.308 20.467 1.00 12.10 N ATOM 326 CA PRO A 320 10.821 4.999 20.313 1.00 16.22 C ATOM 327 C PRO A 320 9.705 4.742 21.334 1.00 9.20 C ATOM 328 O PRO A 320 9.858 5.037 22.522 1.00 10.71 O ATOM 329 CB PRO A 320 11.981 4.019 20.532 1.00 17.92 C ATOM 330 CG PRO A 320 13.191 4.783 20.092 1.00 17.22 C ATOM 331 CD PRO A 320 12.936 6.205 20.530 1.00 12.68 C ATOM 332 N GLY A 321 8.583 4.202 20.863 1.00 8.99 N ATOM 333 CA GLY A 321 7.498 3.784 21.731 1.00 12.00 C ATOM 334 C GLY A 321 6.654 4.915 22.292 1.00 7.43 C ATOM 335 O GLY A 321 5.913 4.717 23.252 1.00 11.19 O ATOM 336 H GLY A 321 8.480 4.075 19.836 1.00 0.00 H ATOM 337 N GLN A 322 6.797 6.109 21.719 1.00 8.80 N ATOM 338 CA GLN A 322 5.979 7.263 22.094 1.00 7.56 C ATOM 339 C GLN A 322 5.102 7.680 20.903 1.00 9.10 C ATOM 340 O GLN A 322 5.229 7.095 19.826 1.00 7.29 O ATOM 341 CB GLN A 322 6.880 8.404 22.594 1.00 6.67 C ATOM 342 CG GLN A 322 7.729 7.996 23.813 1.00 10.21 C ATOM 343 CD GLN A 322 6.874 7.504 24.975 1.00 12.53 C ATOM 344 OE1 GLN A 322 5.752 7.976 25.175 1.00 9.88 O ATOM 345 NE2 GLN A 322 7.393 6.541 25.735 1.00 11.20 N ATOM 346 HE22 GLN A 322 8.344 6.172 25.530 1.00 0.00 H ATOM 347 HE21 GLN A 322 6.848 6.158 26.533 1.00 0.00 H ATOM 348 H GLN A 322 7.517 6.225 20.977 1.00 0.00 H ATOM 349 N PRO A 323 4.184 8.653 21.095 1.00 9.04 N ATOM 350 CA PRO A 323 3.163 8.885 20.063 1.00 4.61 C ATOM 351 C PRO A 323 3.664 9.184 18.648 1.00 6.28 C ATOM 352 O PRO A 323 3.112 8.627 17.698 1.00 7.32 O ATOM 353 CB PRO A 323 2.351 10.063 20.630 1.00 4.50 C ATOM 354 CG PRO A 323 2.432 9.849 22.108 1.00 5.68 C ATOM 355 CD PRO A 323 3.857 9.375 22.340 1.00 8.56 C ATOM 356 N ALA A 324 4.677 10.035 18.495 1.00 7.01 N ATOM 357 CA ALA A 324 5.156 10.363 17.155 1.00 5.82 C ATOM 358 C ALA A 324 5.665 9.112 16.434 1.00 10.44 C ATOM 359 O ALA A 324 5.386 8.911 15.247 1.00 8.79 O ATOM 360 CB ALA A 324 6.237 11.441 17.229 1.00 7.17 C ATOM 361 H ALA A 324 5.126 10.465 19.328 1.00 0.00 H ATOM 362 N ASP A 325 6.407 8.280 17.159 1.00 8.37 N ATOM 363 CA ASP A 325 6.906 7.016 16.638 1.00 7.45 C ATOM 364 C ASP A 325 5.756 6.086 16.240 1.00 7.88 C ATOM 365 O ASP A 325 5.738 5.554 15.117 1.00 10.10 O ATOM 366 CB ASP A 325 7.807 6.338 17.678 1.00 6.34 C ATOM 367 CG ASP A 325 8.399 5.032 17.177 1.00 11.48 C ATOM 368 OD1 ASP A 325 8.734 4.961 15.977 1.00 13.77 O ATOM 369 OD2 ASP A 325 8.498 4.082 17.981 1.00 13.36 O ATOM 370 H ASP A 325 6.640 8.543 18.138 1.00 0.00 H ATOM 371 N ARG A 326 4.797 5.897 17.147 1.00 7.76 N ATOM 372 CA ARG A 326 3.706 4.951 16.922 1.00 8.51 C ATOM 373 C ARG A 326 2.810 5.387 15.772 1.00 8.06 C ATOM 374 O ARG A 326 2.320 4.554 15.011 1.00 8.85 O ATOM 375 CB ARG A 326 2.842 4.781 18.175 1.00 8.95 C ATOM 376 CG ARG A 326 3.560 4.282 19.414 1.00 9.10 C ATOM 377 CD ARG A 326 2.579 4.270 20.578 1.00 10.12 C ATOM 378 NE ARG A 326 3.187 3.915 21.862 1.00 11.55 N ATOM 379 CZ ARG A 326 3.332 2.667 22.303 1.00 15.11 C ATOM 380 NH1 ARG A 326 2.932 1.639 21.562 1.00 9.87 N ATOM 381 NH2 ARG A 326 3.887 2.445 23.488 1.00 23.61 N ATOM 382 HE ARG A 326 3.528 4.688 22.469 1.00 0.00 H ATOM 383 HH12 ARG A 326 3.049 0.667 21.914 1.00 0.00 H ATOM 384 HH11 ARG A 326 2.502 1.806 20.630 1.00 0.00 H ATOM 385 HH22 ARG A 326 4.001 1.471 23.834 1.00 0.00 H ATOM 386 HH21 ARG A 326 4.208 3.245 24.070 1.00 0.00 H ATOM 387 H ARG A 326 4.826 6.436 18.036 1.00 0.00 H ATOM 388 N CYS A 327 2.582 6.690 15.652 1.00 6.51 N ATOM 389 CA CYS A 327 1.623 7.184 14.666 1.00 5.77 C ATOM 390 C CYS A 327 2.185 7.227 13.244 1.00 7.42 C ATOM 391 O CYS A 327 1.434 7.185 12.277 1.00 8.05 O ATOM 392 CB CYS A 327 1.008 8.524 15.096 1.00 8.82 C ATOM 393 SG CYS A 327 -0.130 8.353 16.524 1.00 9.09 S ATOM 394 H CYS A 327 3.089 7.362 16.263 1.00 0.00 H ATOM 395 N GLY A 328 3.506 7.279 13.130 1.00 10.78 N ATOM 396 CA GLY A 328 4.152 7.287 11.830 1.00 9.27 C ATOM 397 C GLY A 328 4.057 8.648 11.167 1.00 8.95 C ATOM 398 O GLY A 328 3.346 9.546 11.636 1.00 11.03 O ATOM 399 H GLY A 328 4.090 7.315 13.989 1.00 0.00 H ATOM 400 N GLY A 329 4.768 8.801 10.063 1.00 7.29 N ATOM 401 CA GLY A 329 4.671 10.022 9.288 1.00 7.18 C ATOM 402 C GLY A 329 5.620 11.150 9.662 1.00 8.55 C ATOM 403 O GLY A 329 5.772 12.086 8.885 1.00 8.11 O ATOM 404 H GLY A 329 5.402 8.039 9.748 1.00 0.00 H ATOM 405 N LEU A 330 6.237 11.082 10.841 1.00 6.02 N ATOM 406 CA LEU A 330 7.149 12.131 11.302 1.00 8.51 C ATOM 407 C LEU A 330 8.546 11.555 11.409 1.00 8.10 C ATOM 408 O LEU A 330 8.728 10.499 12.011 1.00 9.69 O ATOM 409 CB LEU A 330 6.725 12.656 12.675 1.00 7.56 C ATOM 410 CG LEU A 330 5.358 13.334 12.732 1.00 5.46 C ATOM 411 CD1 LEU A 330 5.055 13.840 14.152 1.00 7.07 C ATOM 412 CD2 LEU A 330 5.302 14.468 11.721 1.00 7.93 C ATOM 413 H LEU A 330 6.066 10.259 11.453 1.00 0.00 H ATOM 414 N HIS A 331 9.532 12.261 10.862 1.00 6.63 N ATOM 415 CA HIS A 331 10.875 11.709 10.761 1.00 6.74 C ATOM 416 C HIS A 331 11.943 12.723 11.146 1.00 6.96 C ATOM 417 O HIS A 331 11.762 13.924 10.962 1.00 8.57 O ATOM 418 CB HIS A 331 11.112 11.223 9.331 1.00 8.34 C ATOM 419 CG HIS A 331 10.034 10.319 8.819 1.00 7.68 C ATOM 420 ND1 HIS A 331 9.887 9.017 9.253 1.00 17.25 N ATOM 421 CD2 HIS A 331 9.036 10.534 7.930 1.00 10.81 C ATOM 422 CE1 HIS A 331 8.852 8.467 8.642 1.00 17.53 C ATOM 423 NE2 HIS A 331 8.319 9.366 7.833 1.00 16.01 N ATOM 424 H HIS A 331 9.341 13.218 10.503 1.00 0.00 H ATOM 425 N VAL A 332 13.049 12.230 11.695 1.00 6.58 N ATOM 426 CA VAL A 332 14.186 13.084 11.999 1.00 3.35 C ATOM 427 C VAL A 332 14.541 13.839 10.722 1.00 5.90 C ATOM 428 O VAL A 332 14.662 13.243 9.637 1.00 7.49 O ATOM 429 CB VAL A 332 15.385 12.265 12.518 1.00 4.41 C ATOM 430 CG1 VAL A 332 16.613 13.150 12.651 1.00 8.52 C ATOM 431 CG2 VAL A 332 15.039 11.602 13.842 1.00 11.67 C ATOM 432 H VAL A 332 13.102 11.214 11.911 1.00 0.00 H ATOM 433 N GLY A 333 14.685 15.156 10.841 1.00 6.79 N ATOM 434 CA GLY A 333 15.039 15.984 9.701 1.00 8.48 C ATOM 435 C GLY A 333 13.876 16.733 9.084 1.00 10.03 C ATOM 436 O GLY A 333 14.083 17.630 8.266 1.00 10.60 O ATOM 437 H GLY A 333 14.541 15.602 11.769 1.00 0.00 H ATOM 438 N ASP A 334 12.653 16.358 9.458 1.00 6.78 N ATOM 439 CA ASP A 334 11.464 17.090 9.045 1.00 6.78 C ATOM 440 C ASP A 334 11.406 18.465 9.698 1.00 7.59 C ATOM 441 O ASP A 334 11.665 18.612 10.896 1.00 8.51 O ATOM 442 CB ASP A 334 10.196 16.343 9.452 1.00 6.52 C ATOM 443 CG ASP A 334 9.877 15.171 8.546 1.00 7.02 C ATOM 444 OD1 ASP A 334 10.411 15.096 7.415 1.00 9.41 O ATOM 445 OD2 ASP A 334 9.051 14.333 8.972 1.00 9.38 O ATOM 446 H ASP A 334 12.545 15.518 10.062 1.00 0.00 H ATOM 447 N ALA A 335 11.053 19.466 8.905 1.00 5.53 N ATOM 448 CA ALA A 335 10.715 20.771 9.445 1.00 4.70 C ATOM 449 C ALA A 335 9.233 20.757 9.798 1.00 8.60 C ATOM 450 O ALA A 335 8.412 20.251 9.028 1.00 9.00 O ATOM 451 CB ALA A 335 11.003 21.856 8.420 1.00 5.53 C ATOM 452 H ALA A 335 11.017 19.314 7.877 1.00 0.00 H ATOM 453 N ILE A 336 8.888 21.297 10.966 1.00 5.09 N ATOM 454 CA ILE A 336 7.483 21.432 11.342 1.00 5.39 C ATOM 455 C ILE A 336 7.032 22.829 10.954 1.00 6.25 C ATOM 456 O ILE A 336 7.497 23.821 11.529 1.00 7.44 O ATOM 457 CB ILE A 336 7.251 21.207 12.858 1.00 3.38 C ATOM 458 CG1 ILE A 336 7.766 19.828 13.287 1.00 3.93 C ATOM 459 CG2 ILE A 336 5.770 21.370 13.209 1.00 7.10 C ATOM 460 CD1 ILE A 336 7.690 19.584 14.804 1.00 5.77 C ATOM 461 H ILE A 336 9.628 21.626 11.618 1.00 0.00 H ATOM 462 N LEU A 337 6.148 22.897 9.960 1.00 6.92 N ATOM 463 CA LEU A 337 5.705 24.178 9.404 1.00 4.15 C ATOM 464 C LEU A 337 4.509 24.747 10.152 1.00 7.11 C ATOM 465 O LEU A 337 4.344 25.963 10.236 1.00 8.39 O ATOM 466 CB LEU A 337 5.361 24.040 7.917 1.00 6.91 C ATOM 467 CG LEU A 337 6.470 23.453 7.044 1.00 8.01 C ATOM 468 CD1 LEU A 337 6.026 23.322 5.603 1.00 8.13 C ATOM 469 CD2 LEU A 337 7.734 24.304 7.144 1.00 9.74 C ATOM 470 H LEU A 337 5.761 22.015 9.567 1.00 0.00 H ATOM 471 N ALA A 338 3.672 23.860 10.676 1.00 5.82 N ATOM 472 CA ALA A 338 2.466 24.262 11.388 1.00 5.71 C ATOM 473 C ALA A 338 1.978 23.115 12.243 1.00 6.82 C ATOM 474 O ALA A 338 2.270 21.951 11.959 1.00 7.53 O ATOM 475 CB ALA A 338 1.379 24.683 10.407 1.00 7.00 C ATOM 476 H ALA A 338 3.884 22.847 10.575 1.00 0.00 H ATOM 477 N VAL A 339 1.245 23.439 13.301 1.00 6.48 N ATOM 478 CA VAL A 339 0.520 22.427 14.063 1.00 7.62 C ATOM 479 C VAL A 339 -0.912 22.906 14.296 1.00 8.08 C ATOM 480 O VAL A 339 -1.127 24.032 14.738 1.00 7.85 O ATOM 481 CB VAL A 339 1.213 22.085 15.402 1.00 6.72 C ATOM 482 CG1 VAL A 339 1.260 23.302 16.343 1.00 7.96 C ATOM 483 CG2 VAL A 339 0.521 20.909 16.082 1.00 5.78 C ATOM 484 H VAL A 339 1.186 24.435 13.593 1.00 0.00 H ATOM 485 N ASN A 340 -1.885 22.054 13.976 1.00 6.89 N ATOM 486 CA ASN A 340 -3.295 22.396 14.157 1.00 6.94 C ATOM 487 C ASN A 340 -3.608 23.769 13.582 1.00 8.28 C ATOM 488 O ASN A 340 -4.328 24.569 14.193 1.00 10.67 O ATOM 489 CB ASN A 340 -3.700 22.310 15.633 1.00 8.75 C ATOM 490 CG ASN A 340 -3.898 20.871 16.096 1.00 5.21 C ATOM 491 OD1 ASN A 340 -4.126 19.977 15.276 1.00 6.77 O ATOM 492 ND2 ASN A 340 -3.827 20.645 17.408 1.00 8.28 N ATOM 493 HD22 ASN A 340 -3.632 21.431 18.061 1.00 0.00 H ATOM 494 HD21 ASN A 340 -3.966 19.683 17.778 1.00 0.00 H ATOM 495 H ASN A 340 -1.635 21.122 13.588 1.00 0.00 H ATOM 496 N GLY A 341 -3.055 24.034 12.403 1.00 9.18 N ATOM 497 CA GLY A 341 -3.316 25.285 11.712 1.00 9.76 C ATOM 498 C GLY A 341 -2.514 26.476 12.200 1.00 16.18 C ATOM 499 O GLY A 341 -2.583 27.555 11.609 1.00 14.78 O ATOM 500 H GLY A 341 -2.423 23.332 11.967 1.00 0.00 H ATOM 501 N VAL A 342 -1.745 26.289 13.268 1.00 9.94 N ATOM 502 CA VAL A 342 -0.941 27.376 13.811 1.00 7.62 C ATOM 503 C VAL A 342 0.414 27.407 13.113 1.00 8.39 C ATOM 504 O VAL A 342 1.171 26.443 13.155 1.00 7.99 O ATOM 505 CB VAL A 342 -0.758 27.247 15.347 1.00 6.95 C ATOM 506 CG1 VAL A 342 0.053 28.417 15.880 1.00 6.83 C ATOM 507 CG2 VAL A 342 -2.104 27.185 16.048 1.00 9.24 C ATOM 508 H VAL A 342 -1.717 25.354 13.722 1.00 0.00 H ATOM 509 N ASN A 343 0.694 28.510 12.436 1.00 7.62 N ATOM 510 CA ASN A 343 1.924 28.660 11.671 1.00 6.15 C ATOM 511 C ASN A 343 3.146 28.700 12.592 1.00 11.31 C ATOM 512 O ASN A 343 3.202 29.495 13.537 1.00 12.84 O ATOM 513 CB ASN A 343 1.844 29.943 10.833 1.00 4.95 C ATOM 514 CG ASN A 343 2.951 30.054 9.808 1.00 11.37 C ATOM 515 OD1 ASN A 343 3.739 29.124 9.609 1.00 10.68 O ATOM 516 ND2 ASN A 343 3.006 31.202 9.128 1.00 10.94 N ATOM 517 HD22 ASN A 343 2.321 31.959 9.329 1.00 0.00 H ATOM 518 HD21 ASN A 343 3.733 31.339 8.397 1.00 0.00 H ATOM 519 H ASN A 343 0.013 29.296 12.451 1.00 0.00 H ATOM 520 N LEU A 344 4.114 27.831 12.320 1.00 6.32 N ATOM 521 CA LEU A 344 5.347 27.779 13.098 1.00 5.52 C ATOM 522 C LEU A 344 6.569 28.176 12.270 1.00 9.26 C ATOM 523 O LEU A 344 7.706 28.000 12.714 1.00 11.18 O ATOM 524 CB LEU A 344 5.546 26.381 13.693 1.00 7.03 C ATOM 525 CG LEU A 344 4.568 25.981 14.790 1.00 7.91 C ATOM 526 CD1 LEU A 344 4.857 24.564 15.265 1.00 7.47 C ATOM 527 CD2 LEU A 344 4.670 26.953 15.945 1.00 7.58 C ATOM 528 H LEU A 344 3.989 27.168 11.529 1.00 0.00 H ATOM 529 N ARG A 345 6.339 28.704 11.068 1.00 7.90 N ATOM 530 CA ARG A 345 7.446 29.078 10.183 1.00 9.16 C ATOM 531 C ARG A 345 8.261 30.274 10.690 1.00 13.40 C ATOM 532 O ARG A 345 9.460 30.375 10.423 1.00 15.41 O ATOM 533 CB ARG A 345 6.937 29.361 8.765 1.00 8.76 C ATOM 534 CG ARG A 345 6.381 28.148 8.006 1.00 9.83 C ATOM 535 CD ARG A 345 5.554 28.662 6.822 1.00 12.13 C ATOM 536 NE ARG A 345 4.961 27.623 5.985 1.00 14.26 N ATOM 537 CZ ARG A 345 3.810 27.006 6.240 1.00 16.16 C ATOM 538 NH1 ARG A 345 3.124 27.282 7.346 1.00 12.10 N ATOM 539 NH2 ARG A 345 3.358 26.083 5.400 1.00 17.32 N ATOM 540 HE ARG A 345 5.476 27.344 5.126 1.00 0.00 H ATOM 541 HH12 ARG A 345 2.225 26.794 7.536 1.00 0.00 H ATOM 542 HH11 ARG A 345 3.486 27.986 8.021 1.00 0.00 H ATOM 543 HH22 ARG A 345 2.459 25.598 5.595 1.00 0.00 H ATOM 544 HH21 ARG A 345 3.903 25.845 4.547 1.00 0.00 H ATOM 545 H ARG A 345 5.359 28.853 10.753 1.00 0.00 H ATOM 546 N ASP A 346 7.621 31.178 11.417 1.00 10.42 N ATOM 547 CA ASP A 346 8.316 32.383 11.857 1.00 13.50 C ATOM 548 C ASP A 346 8.298 32.491 13.378 1.00 15.05 C ATOM 549 O ASP A 346 8.244 33.585 13.932 1.00 17.41 O ATOM 550 CB ASP A 346 7.684 33.627 11.219 1.00 14.25 C ATOM 551 CG ASP A 346 8.591 34.841 11.275 1.00 36.06 C ATOM 552 OD1 ASP A 346 9.813 34.684 11.060 1.00 43.41 O ATOM 553 OD2 ASP A 346 8.082 35.954 11.534 1.00 45.72 O ATOM 554 H ASP A 346 6.624 31.029 11.674 1.00 0.00 H ATOM 555 N THR A 347 8.340 31.342 14.044 1.00 8.46 N ATOM 556 CA THR A 347 8.205 31.272 15.493 1.00 7.31 C ATOM 557 C THR A 347 9.540 31.009 16.169 1.00 8.88 C ATOM 558 O THR A 347 10.335 30.190 15.708 1.00 9.26 O ATOM 559 CB THR A 347 7.190 30.173 15.878 1.00 6.55 C ATOM 560 OG1 THR A 347 5.954 30.440 15.212 1.00 10.51 O ATOM 561 CG2 THR A 347 6.946 30.137 17.386 1.00 6.12 C ATOM 562 HG1 THR A 347 5.614 31.327 15.492 1.00 0.00 H ATOM 563 H THR A 347 8.474 30.459 13.511 1.00 0.00 H ATOM 564 N LYS A 348 9.787 31.721 17.265 1.00 9.63 N ATOM 565 CA LYS A 348 10.970 31.474 18.075 1.00 9.36 C ATOM 566 C LYS A 348 10.885 30.109 18.772 1.00 6.55 C ATOM 567 O LYS A 348 9.801 29.550 18.958 1.00 8.01 O ATOM 568 CB LYS A 348 11.163 32.596 19.100 1.00 6.72 C ATOM 569 CG LYS A 348 11.713 33.866 18.495 1.00 12.33 C ATOM 570 CD LYS A 348 12.003 34.911 19.566 1.00 21.00 C ATOM 571 CE LYS A 348 10.963 36.016 19.549 1.00 27.43 C ATOM 572 NZ LYS A 348 11.260 37.085 20.547 1.00 24.09 N ATOM 573 HZ1 LYS A 348 11.277 36.672 21.501 1.00 0.00 H ATOM 574 HZ2 LYS A 348 12.186 37.509 20.334 1.00 0.00 H ATOM 575 HZ3 LYS A 348 10.523 37.817 20.499 1.00 0.00 H ATOM 576 H LYS A 348 9.122 32.469 17.548 1.00 0.00 H ATOM 577 N HIS A 349 12.042 29.567 19.135 1.00 5.57 N ATOM 578 CA HIS A 349 12.111 28.230 19.713 1.00 5.91 C ATOM 579 C HIS A 349 11.185 28.034 20.909 1.00 7.29 C ATOM 580 O HIS A 349 10.372 27.115 20.929 1.00 6.96 O ATOM 581 CB HIS A 349 13.550 27.888 20.102 1.00 7.44 C ATOM 582 CG HIS A 349 13.729 26.465 20.530 1.00 9.10 C ATOM 583 ND1 HIS A 349 14.015 25.449 19.645 1.00 8.70 N ATOM 584 CD2 HIS A 349 13.631 25.886 21.749 1.00 8.20 C ATOM 585 CE1 HIS A 349 14.100 24.306 20.303 1.00 8.50 C ATOM 586 NE2 HIS A 349 13.864 24.543 21.581 1.00 9.07 N ATOM 587 H HIS A 349 12.920 30.109 19.004 1.00 0.00 H ATOM 588 N LYS A 350 11.311 28.892 21.916 1.00 6.72 N ATOM 589 CA LYS A 350 10.529 28.733 23.139 1.00 7.13 C ATOM 590 C LYS A 350 9.028 28.791 22.875 1.00 5.94 C ATOM 591 O LYS A 350 8.272 27.950 23.364 1.00 7.84 O ATOM 592 CB LYS A 350 10.916 29.809 24.152 1.00 5.83 C ATOM 593 CG LYS A 350 10.269 29.659 25.520 1.00 9.99 C ATOM 594 CD LYS A 350 9.033 30.559 25.651 1.00 11.98 C ATOM 595 CE LYS A 350 8.464 30.535 27.056 1.00 11.39 C ATOM 596 NZ LYS A 350 7.539 31.708 27.248 1.00 13.19 N ATOM 597 HZ1 LYS A 350 8.068 32.592 27.104 1.00 0.00 H ATOM 598 HZ2 LYS A 350 6.762 31.651 26.559 1.00 0.00 H ATOM 599 HZ3 LYS A 350 7.151 31.688 28.213 1.00 0.00 H ATOM 600 H LYS A 350 11.976 29.688 21.832 1.00 0.00 H ATOM 601 N GLU A 351 8.602 29.797 22.118 1.00 5.41 N ATOM 602 CA GLU A 351 7.193 29.953 21.763 1.00 5.71 C ATOM 603 C GLU A 351 6.647 28.741 20.991 1.00 4.39 C ATOM 604 O GLU A 351 5.488 28.340 21.185 1.00 6.66 O ATOM 605 CB GLU A 351 6.992 31.243 20.957 1.00 7.54 C ATOM 606 CG GLU A 351 7.027 32.541 21.815 1.00 10.82 C ATOM 607 CD GLU A 351 8.427 33.085 22.117 1.00 13.21 C ATOM 608 OE1 GLU A 351 9.440 32.405 21.847 1.00 11.00 O ATOM 609 OE2 GLU A 351 8.518 34.224 22.640 1.00 12.19 O ATOM 610 H GLU A 351 9.291 30.493 21.768 1.00 0.00 H ATOM 611 N ALA A 352 7.467 28.173 20.108 1.00 4.67 N ATOM 612 CA ALA A 352 7.111 26.930 19.418 1.00 4.57 C ATOM 613 C ALA A 352 6.938 25.770 20.397 1.00 8.75 C ATOM 614 O ALA A 352 5.998 24.978 20.263 1.00 5.86 O ATOM 615 CB ALA A 352 8.155 26.584 18.367 1.00 7.69 C ATOM 616 H ALA A 352 8.382 28.623 19.903 1.00 0.00 H ATOM 617 N VAL A 353 7.845 25.652 21.368 1.00 5.75 N ATOM 618 CA VAL A 353 7.710 24.619 22.392 1.00 5.03 C ATOM 619 C VAL A 353 6.373 24.785 23.124 1.00 4.45 C ATOM 620 O VAL A 353 5.661 23.810 23.362 1.00 5.98 O ATOM 621 CB VAL A 353 8.894 24.633 23.386 1.00 5.98 C ATOM 622 CG1 VAL A 353 8.630 23.717 24.576 1.00 3.88 C ATOM 623 CG2 VAL A 353 10.176 24.246 22.675 1.00 9.00 C ATOM 624 H VAL A 353 8.656 26.302 21.396 1.00 0.00 H ATOM 625 N THR A 354 6.022 26.027 23.453 1.00 5.41 N ATOM 626 CA THR A 354 4.750 26.285 24.129 1.00 6.29 C ATOM 627 C THR A 354 3.563 25.856 23.271 1.00 4.93 C ATOM 628 O THR A 354 2.693 25.093 23.708 1.00 6.22 O ATOM 629 CB THR A 354 4.611 27.763 24.514 1.00 7.82 C ATOM 630 OG1 THR A 354 5.661 28.102 25.425 1.00 6.34 O ATOM 631 CG2 THR A 354 3.273 28.002 25.179 1.00 7.85 C ATOM 632 HG1 THR A 354 6.537 27.949 24.989 1.00 0.00 H ATOM 633 H THR A 354 6.657 26.819 23.228 1.00 0.00 H ATOM 634 N ILE A 355 3.530 26.346 22.040 1.00 6.37 N ATOM 635 CA ILE A 355 2.442 26.001 21.131 1.00 5.98 C ATOM 636 C ILE A 355 2.338 24.480 20.944 1.00 5.26 C ATOM 637 O ILE A 355 1.264 23.902 21.095 1.00 6.02 O ATOM 638 CB ILE A 355 2.606 26.738 19.787 1.00 7.05 C ATOM 639 CG1 ILE A 355 2.418 28.244 20.000 1.00 9.29 C ATOM 640 CG2 ILE A 355 1.614 26.224 18.760 1.00 7.60 C ATOM 641 CD1 ILE A 355 2.862 29.096 18.823 1.00 7.46 C ATOM 642 H ILE A 355 4.287 26.983 21.719 1.00 0.00 H ATOM 643 N LEU A 356 3.458 23.822 20.659 1.00 5.14 N ATOM 644 CA LEU A 356 3.427 22.375 20.430 1.00 4.87 C ATOM 645 C LEU A 356 2.981 21.591 21.662 1.00 4.00 C ATOM 646 O LEU A 356 2.171 20.662 21.552 1.00 7.34 O ATOM 647 CB LEU A 356 4.799 21.875 19.958 1.00 3.31 C ATOM 648 CG LEU A 356 5.138 22.291 18.530 1.00 5.36 C ATOM 649 CD1 LEU A 356 6.644 22.320 18.348 1.00 6.74 C ATOM 650 CD2 LEU A 356 4.459 21.328 17.563 1.00 6.36 C ATOM 651 H LEU A 356 4.360 24.337 20.598 1.00 0.00 H ATOM 652 N SER A 357 3.478 21.988 22.831 1.00 5.57 N ATOM 653 CA SER A 357 3.175 21.288 24.075 1.00 8.51 C ATOM 654 C SER A 357 1.741 21.526 24.564 1.00 8.44 C ATOM 655 O SER A 357 1.216 20.761 25.378 1.00 8.43 O ATOM 656 CB SER A 357 4.187 21.659 25.163 1.00 9.88 C ATOM 657 OG SER A 357 3.998 22.990 25.615 1.00 12.11 O ATOM 658 HG SER A 357 4.110 23.614 24.855 1.00 0.00 H ATOM 659 H SER A 357 4.100 22.821 22.859 1.00 0.00 H ATOM 660 N GLN A 358 1.109 22.581 24.058 1.00 6.56 N ATOM 661 CA GLN A 358 -0.250 22.908 24.477 1.00 5.29 C ATOM 662 C GLN A 358 -1.343 22.153 23.728 1.00 11.24 C ATOM 663 O GLN A 358 -2.496 22.135 24.160 1.00 14.88 O ATOM 664 CB GLN A 358 -0.492 24.426 24.421 1.00 7.56 C ATOM 665 CG GLN A 358 0.103 25.166 25.608 1.00 6.97 C ATOM 666 CD GLN A 358 -0.036 26.682 25.520 1.00 9.51 C ATOM 667 OE1 GLN A 358 -0.379 27.242 24.469 1.00 8.49 O ATOM 668 NE2 GLN A 358 0.230 27.356 26.634 1.00 9.89 N ATOM 669 HE22 GLN A 358 0.515 26.846 27.495 1.00 0.00 H ATOM 670 HE21 GLN A 358 0.153 28.393 26.645 1.00 0.00 H ATOM 671 H GLN A 358 1.589 23.180 23.356 1.00 0.00 H ATOM 672 N GLN A 359 -0.983 21.523 22.614 1.00 6.86 N ATOM 673 CA GLN A 359 -1.964 20.795 21.816 1.00 8.24 C ATOM 674 C GLN A 359 -2.405 19.494 22.489 1.00 10.21 C ATOM 675 O GLN A 359 -1.618 18.835 23.166 1.00 9.34 O ATOM 676 CB GLN A 359 -1.428 20.514 20.412 1.00 5.46 C ATOM 677 CG GLN A 359 -0.872 21.735 19.712 1.00 5.79 C ATOM 678 CD GLN A 359 -1.884 22.862 19.611 1.00 9.14 C ATOM 679 OE1 GLN A 359 -3.014 22.669 19.151 1.00 9.40 O ATOM 680 NE2 GLN A 359 -1.480 24.054 20.041 1.00 8.90 N ATOM 681 HE22 GLN A 359 -0.519 24.171 20.421 1.00 0.00 H ATOM 682 HE21 GLN A 359 -2.125 24.869 19.997 1.00 0.00 H ATOM 683 H GLN A 359 0.010 21.549 22.307 1.00 0.00 H ATOM 684 N ARG A 360 -3.672 19.139 22.299 1.00 7.28 N ATOM 685 CA ARG A 360 -4.221 17.904 22.852 1.00 7.83 C ATOM 686 C ARG A 360 -4.951 17.063 21.794 1.00 8.05 C ATOM 687 O ARG A 360 -5.522 17.600 20.835 1.00 9.90 O ATOM 688 CB ARG A 360 -5.199 18.201 24.004 1.00 11.84 C ATOM 689 CG ARG A 360 -4.576 18.340 25.391 1.00 17.57 C ATOM 690 CD ARG A 360 -5.650 18.630 26.443 1.00 19.73 C ATOM 691 NE ARG A 360 -5.128 18.565 27.809 1.00 22.66 N ATOM 692 CZ ARG A 360 -5.740 19.085 28.873 1.00 33.91 C ATOM 693 NH1 ARG A 360 -6.898 19.719 28.737 1.00 30.34 N ATOM 694 NH2 ARG A 360 -5.189 18.978 30.076 1.00 34.41 N ATOM 695 HE ARG A 360 -4.220 18.081 27.959 1.00 0.00 H ATOM 696 HH12 ARG A 360 -7.371 20.123 29.571 1.00 0.00 H ATOM 697 HH11 ARG A 360 -7.333 19.812 27.797 1.00 0.00 H ATOM 698 HH22 ARG A 360 -5.668 19.384 30.905 1.00 0.00 H ATOM 699 HH21 ARG A 360 -4.279 18.488 30.189 1.00 0.00 H ATOM 700 H ARG A 360 -4.291 19.760 21.739 1.00 0.00 H ATOM 701 N GLY A 361 -4.911 15.747 21.976 1.00 9.04 N ATOM 702 CA GLY A 361 -5.786 14.823 21.259 1.00 7.88 C ATOM 703 C GLY A 361 -5.324 14.411 19.871 1.00 7.65 C ATOM 704 O GLY A 361 -4.253 13.828 19.714 1.00 9.54 O ATOM 705 H GLY A 361 -4.228 15.359 22.658 1.00 0.00 H ATOM 706 N GLU A 362 -6.138 14.714 18.865 1.00 7.83 N ATOM 707 CA GLU A 362 -5.806 14.410 17.475 1.00 7.46 C ATOM 708 C GLU A 362 -5.155 15.631 16.856 1.00 9.04 C ATOM 709 O GLU A 362 -5.829 16.606 16.523 1.00 13.53 O ATOM 710 CB GLU A 362 -7.067 14.034 16.687 1.00 9.27 C ATOM 711 CG GLU A 362 -7.834 12.857 17.262 1.00 10.07 C ATOM 712 CD GLU A 362 -9.073 12.512 16.449 1.00 17.46 C ATOM 713 OE1 GLU A 362 -9.666 13.424 15.836 1.00 18.24 O ATOM 714 OE2 GLU A 362 -9.444 11.322 16.425 1.00 17.44 O ATOM 715 H GLU A 362 -7.042 15.183 19.074 1.00 0.00 H ATOM 716 N ILE A 363 -3.836 15.564 16.703 1.00 3.99 N ATOM 717 CA ILE A 363 -3.018 16.732 16.400 1.00 4.95 C ATOM 718 C ILE A 363 -2.460 16.611 14.987 1.00 9.10 C ATOM 719 O ILE A 363 -1.781 15.627 14.658 1.00 8.50 O ATOM 720 CB ILE A 363 -1.862 16.828 17.400 1.00 3.95 C ATOM 721 CG1 ILE A 363 -2.393 16.939 18.832 1.00 3.61 C ATOM 722 CG2 ILE A 363 -0.966 18.016 17.084 1.00 6.88 C ATOM 723 CD1 ILE A 363 -1.335 16.673 19.869 1.00 10.05 C ATOM 724 H ILE A 363 -3.369 14.640 16.804 1.00 0.00 H ATOM 725 N GLU A 364 -2.761 17.602 14.152 1.00 7.12 N ATOM 726 CA GLU A 364 -2.315 17.575 12.763 1.00 9.64 C ATOM 727 C GLU A 364 -1.070 18.421 12.578 1.00 10.24 C ATOM 728 O GLU A 364 -1.058 19.603 12.929 1.00 11.65 O ATOM 729 CB GLU A 364 -3.420 18.068 11.828 1.00 15.53 C ATOM 730 CG GLU A 364 -3.118 17.821 10.355 1.00 21.56 C ATOM 731 CD GLU A 364 -4.299 18.138 9.455 1.00 30.13 C ATOM 732 OE1 GLU A 364 -4.777 17.221 8.755 1.00 33.92 O ATOM 733 OE2 GLU A 364 -4.747 19.305 9.445 1.00 32.89 O ATOM 734 H GLU A 364 -3.322 18.408 14.494 1.00 0.00 H ATOM 735 N PHE A 365 -0.022 17.812 12.030 1.00 6.19 N ATOM 736 CA PHE A 365 1.227 18.515 11.761 1.00 6.17 C ATOM 737 C PHE A 365 1.337 18.792 10.273 1.00 7.93 C ATOM 738 O PHE A 365 0.922 17.977 9.453 1.00 10.19 O ATOM 739 CB PHE A 365 2.434 17.668 12.177 1.00 9.16 C ATOM 740 CG PHE A 365 2.605 17.541 13.662 1.00 8.91 C ATOM 741 CD1 PHE A 365 1.862 16.621 14.387 1.00 7.13 C ATOM 742 CD2 PHE A 365 3.503 18.350 14.334 1.00 15.81 C ATOM 743 CE1 PHE A 365 2.018 16.520 15.765 1.00 7.94 C ATOM 744 CE2 PHE A 365 3.658 18.251 15.707 1.00 19.93 C ATOM 745 CZ PHE A 365 2.921 17.335 16.418 1.00 10.72 C ATOM 746 H PHE A 365 -0.096 16.804 11.786 1.00 0.00 H ATOM 747 N GLU A 366 1.911 19.935 9.925 1.00 5.58 N ATOM 748 CA GLU A 366 2.293 20.184 8.546 1.00 6.35 C ATOM 749 C GLU A 366 3.813 20.147 8.529 1.00 6.72 C ATOM 750 O GLU A 366 4.468 20.927 9.221 1.00 7.76 O ATOM 751 CB GLU A 366 1.756 21.539 8.092 1.00 10.22 C ATOM 752 CG GLU A 366 1.675 21.705 6.594 1.00 16.10 C ATOM 753 CD GLU A 366 0.885 22.943 6.199 1.00 30.51 C ATOM 754 OE1 GLU A 366 0.020 23.370 6.993 1.00 32.33 O ATOM 755 OE2 GLU A 366 1.131 23.489 5.101 1.00 37.89 O ATOM 756 H GLU A 366 2.090 20.662 10.647 1.00 0.00 H ATOM 757 N VAL A 367 4.370 19.214 7.770 1.00 6.00 N ATOM 758 CA VAL A 367 5.805 18.996 7.798 1.00 3.70 C ATOM 759 C VAL A 367 6.378 18.831 6.407 1.00 8.00 C ATOM 760 O VAL A 367 5.663 18.511 5.463 1.00 7.20 O ATOM 761 CB VAL A 367 6.167 17.747 8.620 1.00 5.78 C ATOM 762 CG1 VAL A 367 5.704 17.906 10.068 1.00 7.20 C ATOM 763 CG2 VAL A 367 5.559 16.493 7.993 1.00 7.86 C ATOM 764 H VAL A 367 3.773 18.632 7.148 1.00 0.00 H ATOM 765 N VAL A 368 7.684 19.043 6.295 1.00 6.59 N ATOM 766 CA VAL A 368 8.364 18.875 5.020 1.00 8.05 C ATOM 767 C VAL A 368 9.806 18.444 5.241 1.00 8.77 C ATOM 768 O VAL A 368 10.456 18.855 6.207 1.00 6.85 O ATOM 769 CB VAL A 368 8.334 20.185 4.187 1.00 5.09 C ATOM 770 CG1 VAL A 368 9.221 21.263 4.814 1.00 7.66 C ATOM 771 CG2 VAL A 368 8.739 19.925 2.729 1.00 5.45 C ATOM 772 H VAL A 368 8.229 19.334 7.132 1.00 0.00 H ATOM 773 N TYR A 369 10.309 17.606 4.346 1.00 8.17 N ATOM 774 CA TYR A 369 11.729 17.287 4.341 1.00 9.43 C ATOM 775 C TYR A 369 12.383 17.918 3.123 1.00 8.18 C ATOM 776 O TYR A 369 12.003 17.619 1.989 1.00 10.44 O ATOM 777 CB TYR A 369 11.930 15.775 4.290 1.00 6.82 C ATOM 778 CG TYR A 369 13.365 15.354 4.504 1.00 10.91 C ATOM 779 CD1 TYR A 369 14.240 15.223 3.433 1.00 18.81 C ATOM 780 CD2 TYR A 369 13.840 15.090 5.779 1.00 20.78 C ATOM 781 CE1 TYR A 369 15.560 14.842 3.631 1.00 23.28 C ATOM 782 CE2 TYR A 369 15.153 14.704 5.987 1.00 32.84 C ATOM 783 CZ TYR A 369 16.007 14.583 4.912 1.00 32.50 C ATOM 784 OH TYR A 369 17.311 14.200 5.128 1.00 36.65 O ATOM 785 HH TYR A 369 17.790 14.160 4.262 1.00 0.00 H ATOM 786 H TYR A 369 9.682 17.171 3.639 1.00 0.00 H ATOM 787 N VAL A 370 13.384 18.762 3.349 1.00 12.75 N ATOM 788 CA VAL A 370 14.107 19.387 2.249 1.00 16.87 C ATOM 789 C VAL A 370 15.541 18.865 2.174 1.00 22.35 C ATOM 790 O VAL A 370 16.297 18.966 3.143 1.00 31.83 O ATOM 791 CB VAL A 370 14.113 20.918 2.386 1.00 20.84 C ATOM 792 CG1 VAL A 370 14.842 21.557 1.217 1.00 21.08 C ATOM 793 CG2 VAL A 370 12.690 21.437 2.480 1.00 17.92 C ATOM 794 H VAL A 370 13.656 18.980 4.329 1.00 0.00 H TER 795 VAL A 370 HETATM 796 O HOH 1 7.741 9.257 19.548 1.00 6.61 O HETATM 797 O HOH 2 6.815 8.757 12.872 1.00 8.45 O HETATM 798 O HOH 3 8.696 16.026 2.688 1.00 9.27 O HETATM 799 O HOH 4 6.420 34.848 24.251 1.00 9.39 O HETATM 800 O HOH 5 12.369 29.853 11.713 1.00 11.43 O HETATM 801 O HOH 6 1.029 18.325 22.573 1.00 9.40 O HETATM 802 O HOH 7 9.205 25.956 11.381 1.00 9.00 O HETATM 803 O HOH 8 17.807 11.147 16.053 1.00 11.53 O HETATM 804 O HOH 9 -3.792 14.518 24.207 1.00 7.78 O HETATM 805 O HOH 10 5.048 10.759 25.545 1.00 9.95 O HETATM 806 O HOH 11 4.592 11.804 6.239 1.00 8.71 O HETATM 807 O HOH 12 -5.172 9.602 31.461 1.00 11.07 O HETATM 808 O HOH 13 4.955 31.521 12.339 1.00 13.82 O HETATM 809 O HOH 14 10.290 28.902 13.297 1.00 11.02 O HETATM 810 O HOH 15 13.354 30.876 22.088 1.00 10.94 O HETATM 811 O HOH 16 11.855 33.163 22.846 1.00 15.33 O HETATM 812 O HOH 17 15.724 9.632 16.966 1.00 11.53 O HETATM 813 O HOH 18 4.461 32.549 16.230 1.00 13.87 O HETATM 814 O HOH 19 -3.493 5.965 21.684 1.00 11.20 O HETATM 815 O HOH 20 -11.728 10.492 15.633 1.00 16.10 O HETATM 816 O HOH 21 13.404 19.619 6.241 1.00 15.13 O HETATM 817 O HOH 22 0.089 29.788 23.524 1.00 10.13 O HETATM 818 O HOH 23 -6.018 11.327 21.479 1.00 21.45 O HETATM 819 O HOH 24 2.947 10.830 13.980 1.00 13.72 O HETATM 820 O HOH 25 2.154 9.028 30.863 1.00 15.51 O HETATM 821 O HOH 26 -8.989 9.307 18.198 1.00 15.49 O HETATM 822 O HOH 27 -5.711 18.600 18.344 1.00 16.05 O HETATM 823 O HOH 28 -1.673 21.981 10.771 1.00 14.17 O HETATM 824 O HOH 29 -5.043 12.252 31.226 1.00 15.38 O HETATM 825 O HOH 30 7.922 33.547 18.267 1.00 9.69 O HETATM 826 O HOH 31 -1.153 30.570 18.521 1.00 16.26 O HETATM 827 O HOH 32 -8.663 16.254 19.264 1.00 21.26 O HETATM 828 O HOH 33 2.037 31.531 14.937 1.00 17.36 O HETATM 829 O HOH 34 2.052 11.380 5.371 1.00 16.64 O HETATM 830 O HOH 35 -8.671 12.895 28.933 1.00 17.44 O HETATM 831 O HOH 36 -3.431 30.677 16.729 1.00 15.10 O HETATM 832 O HOH 37 9.868 10.294 25.123 1.00 15.21 O HETATM 833 O HOH 38 -0.424 15.145 3.089 1.00 16.43 O HETATM 834 O HOH 39 -5.531 27.007 14.224 1.00 23.54 O HETATM 835 O HOH 40 11.179 28.985 8.831 1.00 20.45 O HETATM 836 O HOH 41 -7.729 14.914 24.109 1.00 19.65 O HETATM 837 O HOH 42 13.164 17.770 -2.460 1.00 22.44 O HETATM 838 O HOH 43 7.461 37.270 18.981 1.00 18.24 O HETATM 839 O HOH 44 -1.067 30.968 12.507 1.00 18.81 O HETATM 840 O HOH 45 15.124 9.320 20.988 1.00 27.69 O HETATM 841 O HOH 46 9.208 13.562 1.741 1.00 21.44 O HETATM 842 O HOH 47 9.894 26.748 8.607 1.00 22.41 O HETATM 843 O HOH 48 8.679 36.189 16.731 1.00 24.89 O HETATM 844 O HOH 49 -6.735 16.232 30.932 1.00 27.36 O HETATM 845 O HOH 50 -8.664 16.835 22.665 1.00 36.36 O HETATM 846 O HOH 51 12.515 32.057 10.305 1.00 27.18 O HETATM 847 O HOH 52 2.036 15.332 0.553 1.00 23.96 O HETATM 848 O HOH 53 17.481 32.798 7.761 1.00 34.80 O HETATM 849 O HOH 54 16.525 15.159 23.153 1.00 19.57 O HETATM 850 O HOH 55 -12.233 12.993 15.155 1.00 24.33 O HETATM 851 O HOH 56 1.504 12.160 2.837 1.00 26.09 O HETATM 852 O HOH 57 -3.921 14.019 6.524 1.00 26.41 O HETATM 853 O HOH 58 17.362 17.397 12.611 1.00 24.70 O HETATM 854 O HOH 59 -8.804 16.969 26.959 1.00 36.33 O HETATM 855 O HOH 60 6.787 8.225 5.996 1.00 28.03 O HETATM 856 O HOH 61 -10.572 15.952 17.411 1.00 36.42 O HETATM 857 O HOH 62 20.277 18.370 16.524 1.00 31.72 O HETATM 858 O HOH 63 11.809 24.054 5.328 1.00 34.96 O HETATM 859 O HOH 64 9.040 1.590 17.859 1.00 33.82 O HETATM 860 O HOH 65 9.282 4.406 24.988 1.00 26.27 O HETATM 861 O HOH 66 4.553 32.054 6.691 1.00 27.94 O HETATM 862 O HOH 67 0.346 26.220 7.179 1.00 30.89 O HETATM 863 O HOH 68 14.173 22.120 6.376 1.00 28.82 O HETATM 864 O HOH 69 -5.213 21.259 11.212 1.00 41.32 O HETATM 865 O HOH 70 16.619 27.788 23.726 1.00 31.05 O HETATM 866 O HOH 71 11.225 37.057 9.436 1.00 36.48 O HETATM 867 O HOH 72 15.027 10.511 9.143 1.00 29.22 O HETATM 868 O HOH 73 11.355 4.304 16.318 1.00 38.37 O HETATM 869 O HOH 74 -9.986 13.842 20.638 1.00 35.42 O HETATM 870 O HOH 75 1.089 24.468 2.037 1.00 40.16 O HETATM 871 O HOH 76 14.651 33.668 10.969 1.00 27.77 O HETATM 872 O HOH 77 -5.454 31.057 18.874 1.00 15.21 O HETATM 873 O HOH 78 -7.052 9.440 20.020 1.00 16.62 O HETATM 874 O HOH 79 20.198 11.820 17.259 1.00 24.43 O HETATM 875 O HOH 80 17.032 29.069 21.096 1.00 26.48 O HETATM 876 O HOH 81 3.729 26.292 2.634 1.00 29.15 O HETATM 877 O HOH 82 10.210 35.239 24.686 1.00 27.06 O HETATM 878 O HOH 83 6.318 10.377 4.851 1.00 25.80 O HETATM 879 O HOH 84 18.652 19.207 14.540 1.00 24.59 O HETATM 880 O HOH 85 11.960 6.431 23.807 1.00 22.17 O HETATM 881 O HOH 86 20.077 33.580 17.938 1.00 32.57 O HETATM 882 O HOH 87 -10.022 14.409 25.552 1.00 35.00 O HETATM 883 O HOH 88 16.729 18.242 7.612 1.00 30.75 O HETATM 884 O HOH 89 -13.193 14.667 12.663 1.00 28.36 O HETATM 885 O HOH 90 -5.861 23.896 9.457 1.00 31.44 O HETATM 886 O HOH 91 10.556 30.743 6.823 1.00 41.56 O HETATM 887 O HOH 92 -9.107 15.390 13.823 1.00 38.55 O HETATM 888 O HOH 93 -7.268 25.722 10.812 1.00 37.62 O HETATM 889 O HOH 94 11.218 36.545 7.050 1.00 35.92 O HETATM 890 O HOH 95 -6.520 19.776 13.747 1.00 38.69 O HETATM 891 O HOH 96 18.618 16.674 10.093 1.00 43.34 O HETATM 892 O HOH 97 -0.526 10.597 2.508 1.00 34.51 O HETATM 893 O HOH 98 -6.903 21.028 18.598 1.00 41.75 O HETATM 894 O HOH 99 3.332 13.191 0.281 1.00 30.88 O HETATM 895 O HOH 100 8.838 11.711 4.094 1.00 20.29 O HETATM 896 O HOH 101 0.606 21.959 0.903 1.00 33.72 O HETATM 897 O HOH 102 10.234 26.589 6.015 1.00 28.37 O HETATM 898 O HOH 103 18.818 17.565 19.050 1.00 26.28 O HETATM 899 O HOH 104 -1.168 28.876 20.905 1.00 22.51 O HETATM 900 O HOH 105 11.006 37.664 16.900 1.00 36.45 O HETATM 901 O HOH 106 10.395 6.356 13.493 1.00 32.46 O HETATM 902 O HOH 107 22.463 33.744 18.297 1.00 42.66 O HETATM 903 O HOH 108 18.025 34.007 22.018 1.00 37.17 O HETATM 904 O HOH 109 12.196 33.294 25.403 1.00 36.23 O HETATM 905 O HOH 110 7.869 6.245 13.060 1.00 16.19 O HETATM 906 O HOH 111 13.165 6.593 16.609 1.00 29.16 O HETATM 907 O HOH 112 -5.138 29.474 14.997 1.00 28.13 O HETATM 908 O HOH 113 13.043 35.555 22.588 1.00 24.89 O HETATM 909 O HOH 114 15.901 12.562 24.673 1.00 37.97 O HETATM 910 O HOH 115 -1.111 27.889 4.832 1.00 37.45 O HETATM 911 O HOH 116 -1.310 26.607 21.992 1.00 13.82 O HETATM 912 O HOH 117 5.016 34.991 15.186 1.00 29.25 O HETATM 913 O HOH 118 9.154 34.090 27.216 1.00 19.47 O HETATM 914 O HOH 119 6.789 2.945 25.393 1.00 20.68 O HETATM 915 O HOH 120 15.076 15.187 -0.014 1.00 39.98 O HETATM 916 O HOH 121 24.038 30.997 16.755 1.00 35.17 O HETATM 917 O HOH 122 22.333 29.252 15.390 1.00 39.28 O HETATM 918 O HOH 123 12.755 15.336 -0.041 1.00 35.82 O HETATM 919 O HOH 124 17.416 31.619 22.527 1.00 42.19 O HETATM 920 O HOH 125 7.018 38.692 10.044 1.00 44.29 O HETATM 921 O HOH 126 17.243 28.960 6.758 1.00 37.59 O HETATM 922 O HOH 127 12.779 23.932 26.157 1.00 15.63 O HETATM 923 O HOH 128 31.749 32.943 20.959 1.00 11.47 O HETATM 924 O HOH 129 9.192 13.697 24.772 1.00 15.02 O HETATM 925 O HOH 130 17.993 25.180 18.376 1.00 22.00 O HETATM 926 O HOH 131 16.308 19.041 26.305 1.00 42.29 O HETATM 927 O HOH 132 19.820 21.926 24.646 1.00 31.09 O HETATM 928 O HOH 133 14.835 23.651 27.836 1.00 28.03 O HETATM 929 O HOH 134 16.807 23.380 25.646 1.00 33.51 O HETATM 930 N ALA A 135 32.371 31.269 23.144 1.00 0.24 N HETATM 931 CA ALA A 135 32.563 29.895 22.676 1.00 0.06 C HETATM 932 C ALA A 135 31.361 29.412 21.862 1.00 0.23 C HETATM 933 O ALA A 135 30.219 29.780 22.150 1.00 -0.39 O HETATM 934 N ALA A 135 31.610 28.597 20.839 1.00 -0.26 N HETATM 935 CA ALA A 135 30.505 28.024 20.078 1.00 0.15 C HETATM 936 C ALA A 135 29.689 27.071 20.947 1.00 0.21 C HETATM 937 O ALA A 135 30.221 26.455 21.871 1.00 -0.39 O HETATM 938 N ALA A 135 28.396 26.963 20.659 1.00 -0.26 N HETATM 939 CA ALA A 135 27.513 26.126 21.464 1.00 0.15 C HETATM 940 C ALA A 135 26.697 25.127 20.644 1.00 0.21 C HETATM 941 O ALA A 135 26.389 25.363 19.475 1.00 -0.39 O HETATM 942 N ALA A 135 26.353 24.007 21.270 1.00 -0.26 N HETATM 943 CA ALA A 135 25.439 23.052 20.661 1.00 0.13 C HETATM 944 C ALA A 135 24.072 23.689 20.460 1.00 0.20 C HETATM 945 O ALA A 135 23.663 24.547 21.249 1.00 -0.39 O HETATM 946 N ALA A 135 23.372 23.278 19.404 1.00 -0.26 N HETATM 947 CA ALA A 135 22.044 23.816 19.126 1.00 0.13 C HETATM 948 CB ALA A 135 21.513 23.325 17.777 1.00 -0.01 C HETATM 949 CG ALA A 135 21.696 24.337 16.657 1.00 -0.05 C HETATM 950 CD ALA A 135 20.877 23.979 15.433 1.00 -0.03 C HETATM 951 CE ALA A 135 19.720 24.945 15.261 1.00 0.03 C HETATM 952 NZ ALA A 135 19.114 24.832 13.907 1.00 -0.29 N HETATM 953 CH ALA A 135 18.759 23.532 13.340 1.00 0.17 C HETATM 954 OH ALA A 135 17.643 23.056 13.556 1.00 -0.40 O HETATM 955 CH3 ALA A 135 19.623 22.948 12.214 1.00 0.03 C HETATM 956 H ALA A 135 20.578 23.491 12.166 1.00 0.05 H HETATM 957 H ALA A 135 19.094 23.051 11.255 1.00 0.05 H HETATM 958 H ALA A 135 19.816 21.884 12.414 1.00 0.05 H HETATM 959 H ALA A 135 18.946 25.662 13.374 1.00 0.18 H HETATM 960 H ALA A 135 18.952 24.722 16.016 1.00 0.05 H HETATM 961 H ALA A 135 20.087 25.972 15.404 1.00 0.05 H HETATM 962 H ALA A 135 21.521 24.024 14.542 1.00 0.03 H HETATM 963 H ALA A 135 20.482 22.959 15.549 1.00 0.03 H HETATM 964 H ALA A 135 21.382 25.328 17.018 1.00 0.03 H HETATM 965 H ALA A 135 22.759 24.369 16.377 1.00 0.03 H HETATM 966 H ALA A 135 22.047 22.403 17.506 1.00 0.03 H HETATM 967 H ALA A 135 20.439 23.109 17.881 1.00 0.03 H HETATM 968 C ALA A 135 21.065 23.455 20.231 1.00 0.21 C HETATM 969 O ALA A 135 20.971 22.291 20.628 1.00 -0.39 O HETATM 970 N ALA A 135 20.341 24.461 20.742 1.00 -0.25 N HETATM 971 CA ALA A 135 19.314 24.210 21.755 1.00 0.13 C HETATM 972 C ALA A 135 18.342 23.130 21.287 1.00 0.20 C HETATM 973 O ALA A 135 17.845 23.183 20.160 1.00 -0.39 O HETATM 974 N ALA A 135 18.092 22.152 22.151 1.00 -0.26 N HETATM 975 CA ALA A 135 17.183 21.056 21.846 1.00 0.16 C HETATM 976 C ALA A 135 16.158 20.963 22.964 1.00 0.21 C HETATM 977 O ALA A 135 16.515 21.018 24.140 1.00 -0.39 O HETATM 978 N ALA A 135 14.888 20.843 22.596 1.00 -0.26 N HETATM 979 CA ALA A 135 13.822 20.670 23.573 1.00 0.15 C HETATM 980 C ALA A 135 13.073 19.370 23.337 1.00 0.21 C HETATM 981 O ALA A 135 12.881 18.955 22.192 1.00 -0.39 O HETATM 982 N ALA A 135 12.633 18.740 24.422 1.00 -0.26 N HETATM 983 CA ALA A 135 11.754 17.581 24.316 1.00 0.13 C HETATM 984 C ALA A 135 10.304 18.024 24.485 1.00 0.20 C HETATM 985 O ALA A 135 9.996 18.889 25.309 1.00 -0.39 O HETATM 986 N ALA A 135 9.417 17.433 23.693 1.00 -0.27 N HETATM 987 CA ALA A 135 7.994 17.760 23.743 1.00 0.10 C HETATM 988 C ALA A 135 7.155 16.493 23.624 1.00 0.06 C HETATM 989 O ALA A 135 7.683 15.422 23.306 1.00 -0.57 O HETATM 990 OXT ALA A 135 5.943 16.520 23.849 1.00 -0.57 O HETATM 991 CB ALA A 135 7.584 18.775 22.644 1.00 -0.01 C HETATM 992 CG1 ALA A 135 7.910 18.239 21.248 1.00 -0.05 C HETATM 993 CD1 ALA A 135 7.591 19.200 20.123 1.00 -0.06 C HETATM 994 H ALA A 135 7.854 18.738 19.160 1.00 0.02 H HETATM 995 H ALA A 135 8.170 20.126 20.256 1.00 0.02 H HETATM 996 H ALA A 135 6.516 19.435 20.135 1.00 0.02 H HETATM 997 H ALA A 135 7.331 17.317 21.089 1.00 0.03 H HETATM 998 H ALA A 135 8.985 18.008 21.210 1.00 0.03 H HETATM 999 CG2 ALA A 135 8.268 20.111 22.878 1.00 -0.06 C HETATM 1000 H ALA A 135 8.021 20.478 23.885 1.00 0.02 H HETATM 1001 H ALA A 135 7.921 20.837 22.128 1.00 0.02 H HETATM 1002 H ALA A 135 9.357 19.986 22.790 1.00 0.02 H HETATM 1003 H ALA A 135 6.497 18.928 22.706 1.00 0.03 H HETATM 1004 H ALA A 135 7.788 18.220 24.721 1.00 0.07 H HETATM 1005 H ALA A 135 9.733 16.743 23.042 1.00 0.19 H HETATM 1006 CB ALA A 135 12.084 16.496 25.348 1.00 -0.00 C HETATM 1007 CG1 ALA A 135 11.987 17.062 26.768 1.00 -0.05 C HETATM 1008 CD1 ALA A 135 12.154 16.011 27.857 1.00 -0.06 C HETATM 1009 H ALA A 135 12.073 16.490 28.844 1.00 0.02 H HETATM 1010 H ALA A 135 13.142 15.536 27.760 1.00 0.02 H HETATM 1011 H ALA A 135 11.368 15.248 27.754 1.00 0.02 H HETATM 1012 H ALA A 135 11.000 17.533 26.888 1.00 0.03 H HETATM 1013 H ALA A 135 12.773 17.821 26.894 1.00 0.03 H HETATM 1014 CG2 ALA A 135 13.466 15.897 25.076 1.00 -0.06 C HETATM 1015 H ALA A 135 13.499 15.502 24.050 1.00 0.02 H HETATM 1016 H ALA A 135 13.659 15.082 25.789 1.00 0.02 H HETATM 1017 H ALA A 135 14.233 16.677 25.193 1.00 0.02 H HETATM 1018 H ALA A 135 11.340 15.692 25.251 1.00 0.03 H HETATM 1019 H ALA A 135 11.877 17.148 23.312 1.00 0.08 H HETATM 1020 H ALA A 135 12.909 19.066 25.326 1.00 0.19 H HETATM 1021 CB ALA A 135 12.816 21.819 23.481 1.00 0.08 C HETATM 1022 OG ALA A 135 13.428 23.065 23.735 1.00 -0.39 O HETATM 1023 H ALA A 135 14.115 23.215 23.097 1.00 0.21 H HETATM 1024 H ALA A 135 12.018 21.655 24.221 1.00 0.06 H HETATM 1025 H ALA A 135 12.382 21.834 22.470 1.00 0.06 H HETATM 1026 H ALA A 135 14.265 20.655 24.580 1.00 0.08 H HETATM 1027 H ALA A 135 14.658 20.872 21.623 1.00 0.19 H HETATM 1028 CB ALA A 135 17.931 19.709 21.766 1.00 0.09 C HETATM 1029 OG1 ALA A 135 18.955 19.778 20.765 1.00 -0.39 O HETATM 1030 H ALA A 135 19.411 18.945 20.722 1.00 0.21 H HETATM 1031 CG2 ALA A 135 16.972 18.588 21.426 1.00 -0.03 C HETATM 1032 H ALA A 135 17.523 17.637 21.373 1.00 0.03 H HETATM 1033 H ALA A 135 16.499 18.792 20.454 1.00 0.03 H HETATM 1034 H ALA A 135 16.197 18.520 22.203 1.00 0.03 H HETATM 1035 H ALA A 135 18.394 19.500 22.742 1.00 0.06 H HETATM 1036 H ALA A 135 16.680 21.253 20.888 1.00 0.08 H HETATM 1037 H ALA A 135 18.544 22.169 23.043 1.00 0.19 H HETATM 1038 CB ALA A 135 18.599 25.558 21.865 1.00 -0.01 C HETATM 1039 CG ALA A 135 19.657 26.554 21.527 1.00 -0.03 C HETATM 1040 CD ALA A 135 20.510 25.900 20.469 1.00 0.04 C HETATM 1041 H ALA A 135 20.152 26.155 19.461 1.00 0.05 H HETATM 1042 H ALA A 135 21.563 26.200 20.571 1.00 0.05 H HETATM 1043 H ALA A 135 20.261 26.788 22.416 1.00 0.03 H HETATM 1044 H ALA A 135 19.204 27.478 21.137 1.00 0.03 H HETATM 1045 H ALA A 135 18.222 25.719 22.886 1.00 0.03 H HETATM 1046 H ALA A 135 17.764 25.617 21.152 1.00 0.03 H HETATM 1047 H ALA A 135 19.764 23.916 22.715 1.00 0.08 H HETATM 1048 H ALA A 135 22.125 24.912 19.084 1.00 0.08 H HETATM 1049 H ALA A 135 23.762 22.590 18.792 1.00 0.19 H HETATM 1050 CB ALA A 135 25.315 21.802 21.529 1.00 -0.01 C HETATM 1051 CG ALA A 135 26.303 20.730 21.142 1.00 -0.02 C HETATM 1052 CD ALA A 135 26.566 20.820 19.650 1.00 0.06 C HETATM 1053 NE ALA A 135 26.849 19.519 19.061 1.00 -0.27 N HETATM 1054 CZ ALA A 135 27.029 19.313 17.761 1.00 0.29 C HETATM 1055 NH1 ALA A 135 26.957 20.329 16.908 1.00 -0.28 N HETATM 1056 H ALA A 135 27.097 20.166 15.901 1.00 0.26 H HETATM 1057 H ALA A 135 26.761 21.279 17.254 1.00 0.26 H HETATM 1058 NH2 ALA A 135 27.283 18.091 17.313 1.00 -0.28 N HETATM 1059 H ALA A 135 27.339 17.302 17.973 1.00 0.26 H HETATM 1060 H ALA A 135 27.424 17.931 16.305 1.00 0.26 H HETATM 1061 H ALA A 135 26.914 18.707 19.692 1.00 0.26 H HETATM 1062 H ALA A 135 27.430 21.480 19.482 1.00 0.07 H HETATM 1063 H ALA A 135 25.678 21.245 19.159 1.00 0.07 H HETATM 1064 H ALA A 135 25.888 19.741 21.385 1.00 0.03 H HETATM 1065 H ALA A 135 27.244 20.879 21.692 1.00 0.03 H HETATM 1066 H ALA A 135 24.297 21.398 21.423 1.00 0.03 H HETATM 1067 H ALA A 135 25.491 22.082 22.578 1.00 0.03 H HETATM 1068 H ALA A 135 25.839 22.759 19.679 1.00 0.08 H HETATM 1069 H ALA A 135 26.729 23.816 22.177 1.00 0.19 H HETATM 1070 CB ALA A 135 26.581 27.005 22.302 1.00 0.08 C HETATM 1071 OG ALA A 135 26.085 28.095 21.544 1.00 -0.39 O HETATM 1072 H ALA A 135 25.511 28.622 22.087 1.00 0.21 H HETATM 1073 H ALA A 135 27.137 27.394 23.168 1.00 0.06 H HETATM 1074 H ALA A 135 25.734 26.397 22.653 1.00 0.06 H HETATM 1075 H ALA A 135 28.146 25.546 22.152 1.00 0.08 H HETATM 1076 H ALA A 135 28.022 27.463 19.878 1.00 0.19 H HETATM 1077 CB ALA A 135 30.995 27.332 18.795 1.00 0.08 C HETATM 1078 CG ALA A 135 31.942 26.190 19.070 1.00 0.18 C HETATM 1079 OD1 ALA A 135 33.024 26.390 19.623 1.00 -0.40 O HETATM 1080 ND2 ALA A 135 31.552 24.979 18.661 1.00 -0.30 N HETATM 1081 H ALA A 135 32.140 24.185 18.817 1.00 0.18 H HETATM 1082 H ALA A 135 30.672 24.867 18.199 1.00 0.18 H HETATM 1083 H ALA A 135 31.513 28.075 18.171 1.00 0.06 H HETATM 1084 H ALA A 135 30.122 26.941 18.252 1.00 0.06 H HETATM 1085 H ALA A 135 29.844 28.850 19.776 1.00 0.08 H HETATM 1086 H ALA A 135 32.554 28.378 20.592 1.00 0.19 H HETATM 1087 CB ALA A 135 32.810 28.974 23.852 1.00 -0.00 C HETATM 1088 H ALA A 135 32.953 27.946 23.489 1.00 0.03 H HETATM 1089 H ALA A 135 31.945 29.006 24.531 1.00 0.03 H HETATM 1090 H ALA A 135 33.712 29.301 24.391 1.00 0.03 H HETATM 1091 H ALA A 135 33.450 29.873 22.025 1.00 0.11 H HETATM 1092 H ALA A 135 33.177 31.558 23.676 1.00 0.20 H HETATM 1093 H ALA A 135 31.550 31.314 23.727 1.00 0.20 H HETATM 1094 H ALA A 135 32.254 31.881 22.351 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 930 931 1092 1093 1094 CONECT 931 930 932 1087 1091 CONECT 932 931 933 934 CONECT 933 932 CONECT 934 932 935 1086 CONECT 935 934 936 1077 1085 CONECT 936 935 937 938 CONECT 937 936 CONECT 938 936 939 1076 CONECT 939 938 940 1070 1075 CONECT 940 939 941 942 CONECT 941 940 CONECT 942 940 943 1069 CONECT 943 942 944 1050 1068 CONECT 944 943 945 946 CONECT 945 944 CONECT 946 944 947 1049 CONECT 947 946 948 968 1048 CONECT 948 947 949 966 967 CONECT 949 948 950 964 965 CONECT 950 949 951 962 963 CONECT 951 950 952 960 961 CONECT 952 951 953 959 CONECT 953 952 954 955 CONECT 954 953 CONECT 955 953 956 957 958 CONECT 956 955 CONECT 957 955 CONECT 958 955 CONECT 959 952 CONECT 960 951 CONECT 961 951 CONECT 962 950 CONECT 963 950 CONECT 964 949 CONECT 965 949 CONECT 966 948 CONECT 967 948 CONECT 968 947 969 970 CONECT 969 968 CONECT 970 968 971 1040 CONECT 971 970 972 1038 1047 CONECT 972 971 973 974 CONECT 973 972 CONECT 974 972 975 1037 CONECT 975 974 976 1028 1036 CONECT 976 975 977 978 CONECT 977 976 CONECT 978 976 979 1027 CONECT 979 978 980 1021 1026 CONECT 980 979 981 982 CONECT 981 980 CONECT 982 980 983 1020 CONECT 983 982 984 1006 1019 CONECT 984 983 985 986 CONECT 985 984 CONECT 986 984 987 1005 CONECT 987 986 988 991 1004 CONECT 988 987 989 990 CONECT 989 988 CONECT 990 988 CONECT 991 987 992 999 1003 CONECT 992 991 993 997 998 CONECT 993 992 994 995 996 CONECT 994 993 CONECT 995 993 CONECT 996 993 CONECT 997 992 CONECT 998 992 CONECT 999 991 1000 1001 1002 CONECT 1000 999 CONECT 1001 999 CONECT 1002 999 CONECT 1003 991 CONECT 1004 987 CONECT 1005 986 CONECT 1006 983 1007 1014 1018 CONECT 1007 1006 1008 1012 1013 CONECT 1008 1007 1009 1010 1011 CONECT 1009 1008 CONECT 1010 1008 CONECT 1011 1008 CONECT 1012 1007 CONECT 1013 1007 CONECT 1014 1006 1015 1016 1017 CONECT 1015 1014 CONECT 1016 1014 CONECT 1017 1014 CONECT 1018 1006 CONECT 1019 983 CONECT 1020 982 CONECT 1021 979 1022 1024 1025 CONECT 1022 1021 1023 CONECT 1023 1022 CONECT 1024 1021 CONECT 1025 1021 CONECT 1026 979 CONECT 1027 978 CONECT 1028 975 1029 1031 1035 CONECT 1029 1028 1030 CONECT 1030 1029 CONECT 1031 1028 1032 1033 1034 CONECT 1032 1031 CONECT 1033 1031 CONECT 1034 1031 CONECT 1035 1028 CONECT 1036 975 CONECT 1037 974 CONECT 1038 971 1039 1045 1046 CONECT 1039 1038 1040 1043 1044 CONECT 1040 970 1039 1041 1042 CONECT 1041 1040 CONECT 1042 1040 CONECT 1043 1039 CONECT 1044 1039 CONECT 1045 1038 CONECT 1046 1038 CONECT 1047 971 CONECT 1048 947 CONECT 1049 946 CONECT 1050 943 1051 1066 1067 CONECT 1051 1050 1052 1064 1065 CONECT 1052 1051 1053 1062 1063 CONECT 1053 1052 1054 1061 CONECT 1054 1053 1055 1058 CONECT 1055 1054 1056 1057 CONECT 1056 1055 CONECT 1057 1055 CONECT 1058 1054 1059 1060 CONECT 1059 1058 CONECT 1060 1058 CONECT 1061 1053 CONECT 1062 1052 CONECT 1063 1052 CONECT 1064 1051 CONECT 1065 1051 CONECT 1066 1050 CONECT 1067 1050 CONECT 1068 943 CONECT 1069 942 CONECT 1070 939 1071 1073 1074 CONECT 1071 1070 1072 CONECT 1072 1071 CONECT 1073 1070 CONECT 1074 1070 CONECT 1075 939 CONECT 1076 938 CONECT 1077 935 1078 1083 1084 CONECT 1078 1077 1079 1080 CONECT 1079 1078 CONECT 1080 1078 1081 1082 CONECT 1081 1080 CONECT 1082 1080 CONECT 1083 1077 CONECT 1084 1077 CONECT 1085 935 CONECT 1086 934 CONECT 1087 931 1088 1089 1090 CONECT 1088 1087 CONECT 1089 1087 CONECT 1090 1087 CONECT 1091 931 CONECT 1092 930 CONECT 1093 930 CONECT 1094 930 MASTER 0 0 0 0 0 0 0 0 1093 1 169 7 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4nmr
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%
4joj
RCSB PDB
PDBbind
87aa, >4JOJ_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%
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
4joj
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
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
4nmr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Golgi-associated PDZ and coiled-coil motif-containing protein CAL PDZ (CALP) domain
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=298uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Plos One Vol. 9. e103650: pp.1-9
Ligand Properties
Formula
C
4
8
H
8
7
N
1
5
O
1
6
Molecular Weight
1130.300
Exact Mass
1129.650
No. of atoms
166
No. of bonds
166
Polar Surface Area
516.94
LOGP Value
-4.76 (
Computed with XLOGP3
)
-4.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 1
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CC(=O)N)CO)CCC[NH+]=C(N)N)CCCCNC(=O)C)CO)C
InChI String
InChI=1S/C48H85N15O16/c1-8-23(3)35(44(75)61-36(47(78)79)24(4)9-2)60-42(73)32(22-65)59-45(76)37(26(6)66)62-43(74)33-16-13-19-63(33)46(77)29(14-10-11-17-53-27(7)67)56-39(70)28(15-12-18-54-48(51)52)55-41(72)31(21-64)58-40(71)30(20-34(50)68)57-38(69)25(5)49/h23-26,28-33,35-37,64-66H,8-22,49H2,1-7H3,(H2,50,68)(H,53,67)(H,55,72)(H,56,70)(H,57,69)(H,58,71)(H,59,76)(H,60,73)(H,61,75)(H,62,74)(H,78,79)(H4,51,52,54)/p+2/t23-,24-,25-,26+,28-,29-,30-,31-,32-,33-,35-,36-,37-/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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