Browse entries in the PDBbind-CN Database
HEADER 4HY5_COMPLEX COMPND 4HY5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 GLY SER SER ILE SER ASN LEU SER MET GLN THR HIS ALA SEQRES 2 A 95 ALA ARG MET ARG THR PHE MET TYR TRP PRO SER SER VAL SEQRES 3 A 95 PRO VAL GLN PRO GLU GLN LEU ALA SER ALA GLY PHE TYR SEQRES 4 A 95 TYR VAL GLY ARG ASN ASP ASP VAL LYS CYS PHE CYS CYS SEQRES 5 A 95 ASP GLY GLY LEU ARG CYS TRP GLU SER GLY ASP ASP PRO SEQRES 6 A 95 TRP VAL GLU HIS ALA LYS TRP PHE PRO ARG CYS GLU PHE SEQRES 7 A 95 LEU ILE ARG MET LYS GLY GLN GLU PHE VAL ASP GLU ILE SEQRES 8 A 95 GLN GLY ARG TYR HET ZN A 1 1 HET UNN A 186 90 ATOM 1 N GLY A 252 9.770 -1.435 35.333 1.00 52.48 N ATOM 2 CA GLY A 252 8.327 -1.192 35.614 1.00 48.20 C ATOM 3 C GLY A 252 7.622 -0.461 34.486 1.00 46.19 C ATOM 4 O GLY A 252 7.892 -0.698 33.305 1.00 46.45 O ATOM 5 HA3 GLY A 252 8.245 -0.594 36.522 1.00 0.00 H ATOM 6 HA2 GLY A 252 7.835 -2.153 35.767 1.00 0.00 H ATOM 7 HN3 GLY A 252 10.253 -0.525 35.193 1.00 0.00 H ATOM 8 HN2 GLY A 252 9.862 -2.013 34.473 1.00 0.00 H ATOM 9 HN1 GLY A 252 10.199 -1.937 36.137 1.00 0.00 H ATOM 10 N SER A 253 6.730 0.446 34.868 1.00 41.99 N ATOM 11 CA SER A 253 5.925 1.214 33.937 1.00 40.62 C ATOM 12 C SER A 253 6.758 2.195 33.087 1.00 40.45 C ATOM 13 O SER A 253 7.696 2.831 33.586 1.00 39.12 O ATOM 14 CB SER A 253 4.869 1.989 34.716 1.00 38.64 C ATOM 15 OG SER A 253 4.198 2.893 33.860 1.00 36.55 O ATOM 16 HA SER A 253 5.464 0.508 33.246 1.00 0.00 H ATOM 17 HB2 SER A 253 5.350 2.544 35.521 1.00 0.00 H ATOM 18 HB3 SER A 253 4.148 1.290 35.139 1.00 0.00 H ATOM 19 HG SER A 253 3.515 3.390 34.377 1.00 0.00 H ATOM 20 H SER A 253 6.602 0.614 35.886 1.00 0.00 H ATOM 21 N SER A 254 6.392 2.326 31.813 1.00 38.34 N ATOM 22 CA SER A 254 7.076 3.235 30.897 1.00 37.14 C ATOM 23 C SER A 254 6.760 4.717 31.172 1.00 35.62 C ATOM 24 O SER A 254 7.424 5.601 30.628 1.00 35.61 O ATOM 25 CB SER A 254 6.686 2.899 29.462 1.00 39.20 C ATOM 26 OG SER A 254 5.341 3.297 29.211 1.00 41.27 O ATOM 27 HA SER A 254 8.146 3.097 31.053 1.00 0.00 H ATOM 28 HB2 SER A 254 6.779 1.824 29.306 1.00 0.00 H ATOM 29 HB3 SER A 254 7.351 3.423 28.776 1.00 0.00 H ATOM 30 HG SER A 254 5.101 3.073 28.277 1.00 0.00 H ATOM 31 H SER A 254 5.593 1.762 31.459 1.00 0.00 H ATOM 32 N ILE A 255 5.738 4.974 31.992 1.00 31.81 N ATOM 33 CA ILE A 255 5.245 6.335 32.282 1.00 27.58 C ATOM 34 C ILE A 255 6.373 7.160 32.904 1.00 28.26 C ATOM 35 O ILE A 255 7.037 6.689 33.839 1.00 28.06 O ATOM 36 CB ILE A 255 4.025 6.276 33.255 1.00 28.12 C ATOM 37 CG1 ILE A 255 2.794 5.613 32.590 1.00 28.64 C ATOM 38 CG2 ILE A 255 3.675 7.639 33.845 1.00 24.37 C ATOM 39 CD1 ILE A 255 2.585 5.968 31.142 1.00 32.41 C ATOM 40 HA ILE A 255 4.921 6.804 31.353 1.00 0.00 H ATOM 41 HB ILE A 255 4.330 5.645 34.090 1.00 0.00 H ATOM 42 HG12 ILE A 255 2.913 4.532 32.660 1.00 0.00 H ATOM 43 HG13 ILE A 255 1.906 5.916 33.144 1.00 0.00 H ATOM 44 HD11 ILE A 255 2.448 7.045 31.049 1.00 0.00 H ATOM 45 HD12 ILE A 255 3.457 5.660 30.564 1.00 0.00 H ATOM 46 HD13 ILE A 255 1.699 5.455 30.768 1.00 0.00 H ATOM 47 HG21 ILE A 255 4.529 8.022 34.403 1.00 0.00 H ATOM 48 HG22 ILE A 255 3.427 8.329 33.039 1.00 0.00 H ATOM 49 HG23 ILE A 255 2.820 7.536 34.513 1.00 0.00 H ATOM 50 H ILE A 255 5.263 4.171 32.452 1.00 0.00 H ATOM 51 N SER A 256 6.586 8.374 32.397 1.00 25.92 N ATOM 52 CA SER A 256 7.626 9.269 32.930 1.00 26.44 C ATOM 53 C SER A 256 7.324 9.848 34.312 1.00 27.30 C ATOM 54 O SER A 256 8.203 9.894 35.197 1.00 28.76 O ATOM 55 CB SER A 256 7.893 10.393 31.943 1.00 29.36 C ATOM 56 OG SER A 256 8.565 9.847 30.818 1.00 31.68 O ATOM 57 HA SER A 256 8.512 8.648 33.061 1.00 0.00 H ATOM 58 HB2 SER A 256 8.516 11.155 32.411 1.00 0.00 H ATOM 59 HB3 SER A 256 6.950 10.840 31.628 1.00 0.00 H ATOM 60 HG SER A 256 7.995 9.154 30.399 1.00 0.00 H ATOM 61 H SER A 256 6.000 8.699 31.601 1.00 0.00 H ATOM 62 N ASN A 257 6.091 10.301 34.504 1.00 23.29 N ATOM 63 CA ASN A 257 5.694 10.890 35.779 1.00 24.28 C ATOM 64 C ASN A 257 4.405 10.253 36.293 1.00 27.13 C ATOM 65 O ASN A 257 3.296 10.681 35.944 1.00 24.94 O ATOM 66 CB ASN A 257 5.555 12.421 35.657 1.00 22.49 C ATOM 67 CG ASN A 257 5.434 13.101 37.005 1.00 25.06 C ATOM 68 OD1 ASN A 257 5.016 12.485 37.990 1.00 26.46 O ATOM 69 ND2 ASN A 257 5.799 14.379 37.063 1.00 25.80 N ATOM 70 HA ASN A 257 6.478 10.686 36.508 1.00 0.00 H ATOM 71 HB2 ASN A 257 6.434 12.813 35.145 1.00 0.00 H ATOM 72 HB3 ASN A 257 4.664 12.646 35.070 1.00 0.00 H ATOM 73 HD22 ASN A 257 6.146 14.860 36.209 1.00 0.00 H ATOM 74 HD21 ASN A 257 5.738 14.897 37.963 1.00 0.00 H ATOM 75 H ASN A 257 5.396 10.235 33.733 1.00 0.00 H ATOM 76 N LEU A 258 4.570 9.222 37.119 1.00 28.48 N ATOM 77 CA LEU A 258 3.440 8.475 37.661 1.00 30.44 C ATOM 78 C LEU A 258 2.493 9.360 38.487 1.00 30.24 C ATOM 79 O LEU A 258 1.282 9.133 38.488 1.00 30.71 O ATOM 80 CB LEU A 258 3.930 7.286 38.504 1.00 32.91 C ATOM 81 CG LEU A 258 4.651 6.180 37.732 1.00 33.05 C ATOM 82 CD1 LEU A 258 5.375 5.244 38.691 1.00 37.18 C ATOM 83 CD2 LEU A 258 3.675 5.425 36.842 1.00 33.13 C ATOM 84 HA LEU A 258 2.872 8.100 36.810 1.00 0.00 H ATOM 85 HB2 LEU A 258 4.616 7.670 39.259 1.00 0.00 H ATOM 86 HB3 LEU A 258 3.063 6.843 38.994 1.00 0.00 H ATOM 87 HG LEU A 258 5.401 6.636 37.086 1.00 0.00 H ATOM 88 HD21 LEU A 258 2.896 4.976 37.458 1.00 0.00 H ATOM 89 HD22 LEU A 258 3.224 6.117 36.131 1.00 0.00 H ATOM 90 HD23 LEU A 258 4.208 4.643 36.302 1.00 0.00 H ATOM 91 HD11 LEU A 258 6.108 5.810 39.266 1.00 0.00 H ATOM 92 HD12 LEU A 258 4.652 4.790 39.369 1.00 0.00 H ATOM 93 HD13 LEU A 258 5.882 4.464 38.122 1.00 0.00 H ATOM 94 H LEU A 258 5.535 8.940 37.386 1.00 0.00 H ATOM 95 N SER A 259 3.032 10.367 39.171 1.00 29.62 N ATOM 96 CA SER A 259 2.189 11.217 40.017 1.00 29.62 C ATOM 97 C SER A 259 1.231 12.063 39.167 1.00 27.42 C ATOM 98 O SER A 259 0.272 12.640 39.686 1.00 29.43 O ATOM 99 CB SER A 259 3.031 12.107 40.945 1.00 31.02 C ATOM 100 OG SER A 259 3.607 13.175 40.214 1.00 30.00 O ATOM 101 HA SER A 259 1.592 10.558 40.648 1.00 0.00 H ATOM 102 HB2 SER A 259 3.824 11.509 41.394 1.00 0.00 H ATOM 103 HB3 SER A 259 2.393 12.512 41.731 1.00 0.00 H ATOM 104 HG SER A 259 4.189 12.810 39.501 1.00 0.00 H ATOM 105 H SER A 259 4.053 10.551 39.105 1.00 0.00 H ATOM 106 N MET A 260 1.484 12.111 37.860 1.00 24.91 N ATOM 107 CA MET A 260 0.723 12.957 36.948 1.00 22.21 C ATOM 108 C MET A 260 -0.136 12.136 35.983 1.00 21.93 C ATOM 109 O MET A 260 -0.573 12.638 34.948 1.00 20.20 O ATOM 110 CB MET A 260 1.682 13.881 36.172 1.00 20.81 C ATOM 111 CG MET A 260 2.329 14.979 37.034 1.00 22.33 C ATOM 112 SD MET A 260 1.053 16.131 37.614 1.00 25.39 S ATOM 113 CE MET A 260 1.173 15.939 39.390 1.00 28.91 C ATOM 114 HA MET A 260 0.040 13.563 37.544 1.00 0.00 H ATOM 115 HB2 MET A 260 2.476 13.269 35.744 1.00 0.00 H ATOM 116 HB3 MET A 260 1.122 14.361 35.370 1.00 0.00 H ATOM 117 HG2 MET A 260 3.064 15.521 36.439 1.00 0.00 H ATOM 118 HG3 MET A 260 2.823 14.523 37.892 1.00 0.00 H ATOM 119 HE1 MET A 260 0.970 14.902 39.657 1.00 0.00 H ATOM 120 HE2 MET A 260 2.177 16.209 39.716 1.00 0.00 H ATOM 121 HE3 MET A 260 0.445 16.589 39.875 1.00 0.00 H ATOM 122 H MET A 260 2.252 11.524 37.476 1.00 0.00 H ATOM 123 N GLN A 261 -0.359 10.869 36.308 1.00 24.35 N ATOM 124 CA GLN A 261 -1.115 9.987 35.410 1.00 25.48 C ATOM 125 C GLN A 261 -2.623 10.297 35.372 1.00 25.65 C ATOM 126 O GLN A 261 -3.286 9.994 34.376 1.00 26.82 O ATOM 127 CB GLN A 261 -0.847 8.493 35.688 1.00 27.35 C ATOM 128 CG GLN A 261 -1.330 8.007 37.040 1.00 32.17 C ATOM 129 CD GLN A 261 -0.853 6.602 37.332 1.00 37.00 C ATOM 130 OE1 GLN A 261 -1.132 5.681 36.577 1.00 38.81 O ATOM 131 NE2 GLN A 261 -0.118 6.439 38.421 1.00 40.33 N ATOM 132 HA GLN A 261 -0.736 10.203 34.411 1.00 0.00 H ATOM 133 HB2 GLN A 261 -1.348 7.908 34.917 1.00 0.00 H ATOM 134 HB3 GLN A 261 0.228 8.323 35.629 1.00 0.00 H ATOM 135 HG2 GLN A 261 -0.952 8.677 37.812 1.00 0.00 H ATOM 136 HG3 GLN A 261 -2.420 8.020 37.052 1.00 0.00 H ATOM 137 HE22 GLN A 261 0.093 7.253 39.033 1.00 0.00 H ATOM 138 HE21 GLN A 261 0.249 5.497 38.665 1.00 0.00 H ATOM 139 H GLN A 261 0.005 10.497 37.208 1.00 0.00 H ATOM 140 N THR A 262 -3.156 10.914 36.423 1.00 26.32 N ATOM 141 CA THR A 262 -4.582 11.291 36.414 1.00 28.53 C ATOM 142 C THR A 262 -4.811 12.721 35.916 1.00 25.67 C ATOM 143 O THR A 262 -4.003 13.610 36.162 1.00 23.39 O ATOM 144 CB THR A 262 -5.271 11.090 37.787 1.00 31.01 C ATOM 145 OG1 THR A 262 -4.741 12.015 38.738 1.00 30.87 O ATOM 146 CG2 THR A 262 -5.107 9.636 38.294 1.00 33.69 C ATOM 147 HA THR A 262 -5.047 10.606 35.705 1.00 0.00 H ATOM 148 HB THR A 262 -6.338 11.277 37.663 1.00 0.00 H ATOM 149 HG1 THR A 262 -5.186 11.880 39.612 1.00 0.00 H ATOM 150 HG23 THR A 262 -5.517 8.947 37.556 1.00 0.00 H ATOM 151 HG21 THR A 262 -4.049 9.422 38.445 1.00 0.00 H ATOM 152 HG22 THR A 262 -5.640 9.519 39.237 1.00 0.00 H ATOM 153 H THR A 262 -2.567 11.131 37.252 1.00 0.00 H ATOM 154 N HIS A 263 -5.905 12.927 35.188 1.00 25.44 N ATOM 155 CA HIS A 263 -6.335 14.269 34.783 1.00 25.87 C ATOM 156 C HIS A 263 -6.468 15.232 35.948 1.00 26.70 C ATOM 157 O HIS A 263 -6.039 16.401 35.868 1.00 23.77 O ATOM 158 CB HIS A 263 -7.645 14.159 33.999 1.00 28.33 C ATOM 159 CG HIS A 263 -8.132 15.469 33.449 1.00 29.49 C ATOM 160 ND1 HIS A 263 -7.873 15.865 32.192 1.00 30.36 N ATOM 161 CD2 HIS A 263 -8.882 16.482 34.038 1.00 29.77 C ATOM 162 CE1 HIS A 263 -8.425 17.075 31.980 1.00 30.11 C ATOM 163 NE2 HIS A 263 -9.044 17.451 33.115 1.00 33.15 N ATOM 164 HA HIS A 263 -5.557 14.691 34.147 1.00 0.00 H ATOM 165 HB2 HIS A 263 -7.492 13.472 33.167 1.00 0.00 H ATOM 166 HB3 HIS A 263 -8.411 13.758 34.663 1.00 0.00 H ATOM 167 HD2 HIS A 263 -9.267 16.491 35.058 1.00 0.00 H ATOM 168 HE1 HIS A 263 -8.379 17.648 31.054 1.00 0.00 H ATOM 169 H HIS A 263 -6.475 12.108 34.896 1.00 0.00 H ATOM 170 N ALA A 264 -7.044 14.750 37.051 1.00 28.40 N ATOM 171 CA ALA A 264 -7.214 15.565 38.248 1.00 29.21 C ATOM 172 C ALA A 264 -5.888 16.111 38.773 1.00 28.31 C ATOM 173 O ALA A 264 -5.796 17.302 39.075 1.00 28.90 O ATOM 174 CB ALA A 264 -7.945 14.799 39.341 1.00 32.42 C ATOM 175 HA ALA A 264 -7.825 16.419 37.956 1.00 0.00 H ATOM 176 HB1 ALA A 264 -8.930 14.504 38.979 1.00 0.00 H ATOM 177 HB2 ALA A 264 -7.372 13.910 39.605 1.00 0.00 H ATOM 178 HB3 ALA A 264 -8.054 15.436 40.219 1.00 0.00 H ATOM 179 H ALA A 264 -7.381 13.766 37.057 1.00 0.00 H ATOM 180 N ALA A 265 -4.871 15.249 38.883 1.00 27.42 N ATOM 181 CA ALA A 265 -3.542 15.671 39.364 1.00 26.48 C ATOM 182 C ALA A 265 -2.858 16.664 38.415 1.00 23.42 C ATOM 183 O ALA A 265 -2.218 17.640 38.868 1.00 21.94 O ATOM 184 CB ALA A 265 -2.646 14.464 39.618 1.00 28.54 C ATOM 185 HA ALA A 265 -3.703 16.193 40.307 1.00 0.00 H ATOM 186 HB1 ALA A 265 -3.105 13.825 40.372 1.00 0.00 H ATOM 187 HB2 ALA A 265 -2.522 13.904 38.691 1.00 0.00 H ATOM 188 HB3 ALA A 265 -1.673 14.804 39.972 1.00 0.00 H ATOM 189 H ALA A 265 -5.022 14.254 38.622 1.00 0.00 H ATOM 190 N ARG A 266 -2.993 16.429 37.104 1.00 20.56 N ATOM 191 CA ARG A 266 -2.458 17.375 36.116 1.00 18.55 C ATOM 192 C ARG A 266 -3.108 18.746 36.263 1.00 19.68 C ATOM 193 O ARG A 266 -2.429 19.770 36.237 1.00 18.52 O ATOM 194 CB ARG A 266 -2.611 16.853 34.685 1.00 17.43 C ATOM 195 CG ARG A 266 -1.838 15.557 34.426 1.00 16.30 C ATOM 196 CD ARG A 266 -1.633 15.272 32.936 1.00 16.95 C ATOM 197 NE ARG A 266 -2.867 14.855 32.271 1.00 18.13 N ATOM 198 CZ ARG A 266 -3.422 13.651 32.336 1.00 19.30 C ATOM 199 NH1 ARG A 266 -2.893 12.679 33.097 1.00 19.76 N ATOM 200 NH2 ARG A 266 -4.557 13.423 31.654 1.00 21.09 N ATOM 201 HA ARG A 266 -1.391 17.478 36.314 1.00 0.00 H ATOM 202 HB2 ARG A 266 -3.668 16.669 34.495 1.00 0.00 H ATOM 203 HB3 ARG A 266 -2.247 17.616 33.997 1.00 0.00 H ATOM 204 HG2 ARG A 266 -0.861 15.633 34.903 1.00 0.00 H ATOM 205 HG3 ARG A 266 -2.392 14.728 34.866 1.00 0.00 H ATOM 206 HD2 ARG A 266 -0.893 14.479 32.830 1.00 0.00 H ATOM 207 HD3 ARG A 266 -1.265 16.178 32.454 1.00 0.00 H ATOM 208 HE ARG A 266 -3.355 15.569 31.693 1.00 0.00 H ATOM 209 HH12 ARG A 266 -3.345 11.743 33.133 1.00 0.00 H ATOM 210 HH11 ARG A 266 -2.032 12.862 33.650 1.00 0.00 H ATOM 211 HH22 ARG A 266 -5.007 12.486 31.692 1.00 0.00 H ATOM 212 HH21 ARG A 266 -4.985 14.183 31.088 1.00 0.00 H ATOM 213 H ARG A 266 -3.481 15.569 36.782 1.00 0.00 H ATOM 214 N MET A 267 -4.426 18.768 36.416 1.00 20.97 N ATOM 215 CA MET A 267 -5.131 20.029 36.644 1.00 22.18 C ATOM 216 C MET A 267 -4.609 20.780 37.868 1.00 21.86 C ATOM 217 O MET A 267 -4.530 21.992 37.836 1.00 22.15 O ATOM 218 CB MET A 267 -6.643 19.804 36.774 1.00 23.45 C ATOM 219 CG MET A 267 -7.330 19.534 35.442 1.00 25.71 C ATOM 220 SD MET A 267 -7.240 20.910 34.273 1.00 28.31 S ATOM 221 CE MET A 267 -8.524 22.002 34.912 1.00 31.95 C ATOM 222 HA MET A 267 -4.937 20.649 35.769 1.00 0.00 H ATOM 223 HB2 MET A 267 -6.811 18.949 37.429 1.00 0.00 H ATOM 224 HB3 MET A 267 -7.088 20.694 37.219 1.00 0.00 H ATOM 225 HG2 MET A 267 -8.380 19.317 35.636 1.00 0.00 H ATOM 226 HG3 MET A 267 -6.860 18.664 34.984 1.00 0.00 H ATOM 227 HE1 MET A 267 -9.482 21.482 34.896 1.00 0.00 H ATOM 228 HE2 MET A 267 -8.281 22.287 35.936 1.00 0.00 H ATOM 229 HE3 MET A 267 -8.583 22.895 34.289 1.00 0.00 H ATOM 230 H MET A 267 -4.964 17.879 36.373 1.00 0.00 H ATOM 231 N ARG A 268 -4.244 20.071 38.935 1.00 24.47 N ATOM 232 CA ARG A 268 -3.802 20.743 40.170 1.00 27.14 C ATOM 233 C ARG A 268 -2.513 21.544 39.972 1.00 26.44 C ATOM 234 O ARG A 268 -2.301 22.579 40.637 1.00 26.76 O ATOM 235 CB ARG A 268 -3.697 19.763 41.356 1.00 34.76 C ATOM 236 CG ARG A 268 -5.055 19.555 42.025 1.00 48.47 C ATOM 237 CD ARG A 268 -5.069 18.788 43.361 1.00 59.82 C ATOM 238 NE ARG A 268 -5.342 17.323 43.157 1.00 65.90 N ATOM 239 CZ ARG A 268 -4.357 16.451 42.880 1.00 67.16 C ATOM 240 NH1 ARG A 268 -4.547 15.125 42.841 1.00 64.43 N ATOM 241 NH2 ARG A 268 -3.140 17.005 43.000 1.00 67.11 N ATOM 242 HA ARG A 268 -4.578 21.465 40.422 1.00 0.00 H ATOM 243 HB2 ARG A 268 -3.329 18.803 40.993 1.00 0.00 H ATOM 244 HB3 ARG A 268 -2.998 20.165 42.089 1.00 0.00 H ATOM 245 HG2 ARG A 268 -5.486 20.540 42.207 1.00 0.00 H ATOM 246 HG3 ARG A 268 -5.686 19.007 41.325 1.00 0.00 H ATOM 247 HD2 ARG A 268 -5.845 19.207 44.001 1.00 0.00 H ATOM 248 HD3 ARG A 268 -4.099 18.903 43.845 1.00 0.00 H ATOM 249 HE ARG A 268 -6.319 16.975 43.232 1.00 0.00 H ATOM 250 HH12 ARG A 268 -3.752 14.492 42.622 1.00 0.00 H ATOM 251 HH11 ARG A 268 -5.490 14.729 43.030 1.00 0.00 H ATOM 252 HH22 ARG A 268 -2.289 16.437 42.813 1.00 0.00 H ATOM 253 HH21 ARG A 268 -3.048 18.002 43.280 1.00 0.00 H ATOM 254 H ARG A 268 -4.271 19.032 38.896 1.00 0.00 H ATOM 255 N THR A 269 -1.687 21.110 39.022 1.00 21.50 N ATOM 256 CA THR A 269 -0.429 21.801 38.732 1.00 20.19 C ATOM 257 C THR A 269 -0.605 23.194 38.140 1.00 20.31 C ATOM 258 O THR A 269 0.331 23.997 38.176 1.00 21.08 O ATOM 259 CB THR A 269 0.477 20.980 37.779 1.00 18.74 C ATOM 260 OG1 THR A 269 -0.087 20.959 36.455 1.00 18.74 O ATOM 261 CG2 THR A 269 0.673 19.547 38.320 1.00 20.50 C ATOM 262 HA THR A 269 0.044 21.907 39.708 1.00 0.00 H ATOM 263 HB THR A 269 1.456 21.456 37.727 1.00 0.00 H ATOM 264 HG1 THR A 269 -0.985 20.545 36.487 1.00 0.00 H ATOM 265 HG23 THR A 269 1.100 19.593 39.322 1.00 0.00 H ATOM 266 HG21 THR A 269 -0.291 19.039 38.358 1.00 0.00 H ATOM 267 HG22 THR A 269 1.347 19.000 37.661 1.00 0.00 H ATOM 268 H THR A 269 -1.941 20.263 38.475 1.00 0.00 H ATOM 269 N PHE A 270 -1.787 23.464 37.570 1.00 19.03 N ATOM 270 CA PHE A 270 -2.086 24.747 36.920 1.00 19.98 C ATOM 271 C PHE A 270 -2.576 25.875 37.830 1.00 21.38 C ATOM 272 O PHE A 270 -2.981 26.933 37.343 1.00 22.00 O ATOM 273 CB PHE A 270 -3.058 24.547 35.734 1.00 20.84 C ATOM 274 CG PHE A 270 -2.447 23.786 34.583 1.00 19.48 C ATOM 275 CD1 PHE A 270 -1.716 24.452 33.584 1.00 19.69 C ATOM 276 CD2 PHE A 270 -2.579 22.393 34.501 1.00 19.18 C ATOM 277 CE1 PHE A 270 -1.110 23.721 32.538 1.00 18.65 C ATOM 278 CE2 PHE A 270 -1.986 21.676 33.444 1.00 18.16 C ATOM 279 CZ PHE A 270 -1.261 22.342 32.469 1.00 16.77 C ATOM 280 HA PHE A 270 -1.114 25.093 36.568 1.00 0.00 H ATOM 281 HB2 PHE A 270 -3.929 23.997 36.089 1.00 0.00 H ATOM 282 HB3 PHE A 270 -3.371 25.527 35.374 1.00 0.00 H ATOM 283 HD2 PHE A 270 -3.147 21.859 35.263 1.00 0.00 H ATOM 284 HE2 PHE A 270 -2.098 20.593 33.393 1.00 0.00 H ATOM 285 HZ PHE A 270 -0.810 21.784 31.649 1.00 0.00 H ATOM 286 HE1 PHE A 270 -0.522 24.241 31.782 1.00 0.00 H ATOM 287 HD1 PHE A 270 -1.616 25.537 33.617 1.00 0.00 H ATOM 288 H PHE A 270 -2.526 22.732 37.589 1.00 0.00 H ATOM 289 N MET A 271 -2.486 25.681 39.144 1.00 22.24 N ATOM 290 CA MET A 271 -2.905 26.720 40.090 1.00 25.84 C ATOM 291 C MET A 271 -2.214 28.069 39.824 1.00 25.36 C ATOM 292 O MET A 271 -2.857 29.112 39.878 1.00 24.92 O ATOM 293 CB MET A 271 -2.668 26.268 41.528 1.00 29.54 C ATOM 294 CG MET A 271 -3.323 27.203 42.532 1.00 37.36 C ATOM 295 SD MET A 271 -3.515 26.497 44.180 1.00 49.23 S ATOM 296 CE MET A 271 -1.934 26.942 44.885 1.00 38.85 C ATOM 297 HA MET A 271 -3.974 26.874 39.941 1.00 0.00 H ATOM 298 HB2 MET A 271 -3.082 25.268 41.656 1.00 0.00 H ATOM 299 HB3 MET A 271 -1.595 26.243 41.717 1.00 0.00 H ATOM 300 HG2 MET A 271 -4.311 27.471 42.157 1.00 0.00 H ATOM 301 HG3 MET A 271 -2.711 28.101 42.613 1.00 0.00 H ATOM 302 HE1 MET A 271 -1.135 26.490 44.297 1.00 0.00 H ATOM 303 HE2 MET A 271 -1.825 28.027 44.875 1.00 0.00 H ATOM 304 HE3 MET A 271 -1.881 26.580 45.912 1.00 0.00 H ATOM 305 H MET A 271 -2.113 24.780 39.505 1.00 0.00 H ATOM 306 N TYR A 272 -0.916 28.028 39.487 1.00 25.08 N ATOM 307 CA TYR A 272 -0.147 29.246 39.188 1.00 26.20 C ATOM 308 C TYR A 272 0.040 29.500 37.674 1.00 24.81 C ATOM 309 O TYR A 272 0.866 30.324 37.297 1.00 24.05 O ATOM 310 CB TYR A 272 1.240 29.191 39.880 1.00 28.61 C ATOM 311 CG TYR A 272 1.210 29.401 41.386 1.00 30.85 C ATOM 312 CD1 TYR A 272 1.425 30.652 41.935 1.00 34.96 C ATOM 313 CD2 TYR A 272 0.944 28.343 42.255 1.00 32.21 C ATOM 314 CE1 TYR A 272 1.386 30.856 43.314 1.00 37.29 C ATOM 315 CE2 TYR A 272 0.901 28.532 43.627 1.00 32.78 C ATOM 316 CZ TYR A 272 1.119 29.785 44.152 1.00 34.25 C ATOM 317 OH TYR A 272 1.081 29.967 45.518 1.00 38.59 O ATOM 318 HA TYR A 272 -0.733 30.078 39.580 1.00 0.00 H ATOM 319 HB3 TYR A 272 1.869 29.966 39.442 1.00 0.00 H ATOM 320 HB2 TYR A 272 1.679 28.213 39.682 1.00 0.00 H ATOM 321 HD2 TYR A 272 0.766 27.348 41.847 1.00 0.00 H ATOM 322 HE2 TYR A 272 0.695 27.690 44.288 1.00 0.00 H ATOM 323 HE1 TYR A 272 1.564 31.848 43.729 1.00 0.00 H ATOM 324 HD1 TYR A 272 1.629 31.496 41.276 1.00 0.00 H ATOM 325 HH TYR A 272 1.257 30.918 45.728 1.00 0.00 H ATOM 326 H TYR A 272 -0.438 27.106 39.435 1.00 0.00 H ATOM 327 N TRP A 273 -0.722 28.817 36.810 1.00 21.86 N ATOM 328 CA TRP A 273 -0.623 29.039 35.367 1.00 21.92 C ATOM 329 C TRP A 273 -0.950 30.468 35.051 1.00 23.96 C ATOM 330 O TRP A 273 -1.963 30.975 35.542 1.00 24.57 O ATOM 331 CB TRP A 273 -1.608 28.129 34.657 1.00 21.96 C ATOM 332 CG TRP A 273 -1.612 28.150 33.160 1.00 20.44 C ATOM 333 CD1 TRP A 273 -2.639 28.594 32.313 1.00 22.85 C ATOM 334 CD2 TRP A 273 -0.586 27.615 32.275 1.00 19.04 C ATOM 335 NE1 TRP A 273 -2.313 28.376 30.995 1.00 21.54 N ATOM 336 CE2 TRP A 273 -1.080 27.800 30.906 1.00 20.87 C ATOM 337 CE3 TRP A 273 0.666 27.027 32.471 1.00 18.04 C ATOM 338 CZ2 TRP A 273 -0.343 27.394 29.799 1.00 19.86 C ATOM 339 CZ3 TRP A 273 1.394 26.623 31.339 1.00 18.55 C ATOM 340 CH2 TRP A 273 0.897 26.809 30.039 1.00 17.97 C ATOM 341 HA TRP A 273 0.391 28.820 35.033 1.00 0.00 H ATOM 342 HB2 TRP A 273 -1.392 27.107 34.969 1.00 0.00 H ATOM 343 HB3 TRP A 273 -2.608 28.406 34.991 1.00 0.00 H ATOM 344 HE1 TRP A 273 -2.919 28.615 30.184 1.00 0.00 H ATOM 345 HD1 TRP A 273 -3.569 29.050 32.654 1.00 0.00 H ATOM 346 HZ2 TRP A 273 -0.721 27.528 28.785 1.00 0.00 H ATOM 347 HH2 TRP A 273 1.501 26.485 29.191 1.00 0.00 H ATOM 348 HZ3 TRP A 273 2.369 26.154 31.473 1.00 0.00 H ATOM 349 HE3 TRP A 273 1.067 26.885 33.475 1.00 0.00 H ATOM 350 H TRP A 273 -1.398 28.114 37.172 1.00 0.00 H ATOM 351 N PRO A 274 -0.096 31.160 34.263 1.00 24.70 N ATOM 352 CA PRO A 274 -0.382 32.589 34.048 1.00 30.08 C ATOM 353 C PRO A 274 -1.649 32.773 33.214 1.00 30.60 C ATOM 354 O PRO A 274 -1.786 32.147 32.158 1.00 30.31 O ATOM 355 CB PRO A 274 0.854 33.090 33.285 1.00 30.44 C ATOM 356 CG PRO A 274 1.936 32.135 33.664 1.00 31.52 C ATOM 357 CD PRO A 274 1.253 30.798 33.797 1.00 26.43 C ATOM 358 HA PRO A 274 -0.558 33.132 34.977 1.00 0.00 H ATOM 359 HD3 PRO A 274 1.211 30.282 32.838 1.00 0.00 H ATOM 360 HD2 PRO A 274 1.763 30.168 34.525 1.00 0.00 H ATOM 361 HG3 PRO A 274 2.391 32.428 34.610 1.00 0.00 H ATOM 362 HG2 PRO A 274 2.702 32.098 32.890 1.00 0.00 H ATOM 363 HB2 PRO A 274 0.679 33.068 32.209 1.00 0.00 H ATOM 364 HB3 PRO A 274 1.111 34.105 33.589 1.00 0.00 H ATOM 365 N SER A 275 -2.565 33.605 33.704 1.00 31.88 N ATOM 366 CA SER A 275 -3.850 33.827 33.034 1.00 34.24 C ATOM 367 C SER A 275 -3.703 34.497 31.658 1.00 33.65 C ATOM 368 O SER A 275 -4.617 34.449 30.830 1.00 35.64 O ATOM 369 CB SER A 275 -4.783 34.649 33.930 1.00 35.34 C ATOM 370 OG SER A 275 -4.219 35.919 34.199 1.00 38.53 O ATOM 371 HA SER A 275 -4.285 32.843 32.858 1.00 0.00 H ATOM 372 HB2 SER A 275 -4.938 34.119 34.870 1.00 0.00 H ATOM 373 HB3 SER A 275 -5.741 34.781 33.426 1.00 0.00 H ATOM 374 HG SER A 275 -4.834 36.436 34.778 1.00 0.00 H ATOM 375 H SER A 275 -2.363 34.113 34.589 1.00 0.00 H ATOM 376 N SER A 276 -2.544 35.096 31.413 1.00 32.88 N ATOM 377 CA SER A 276 -2.239 35.711 30.118 1.00 33.91 C ATOM 378 C SER A 276 -2.069 34.711 28.964 1.00 32.31 C ATOM 379 O SER A 276 -2.256 35.070 27.801 1.00 33.36 O ATOM 380 CB SER A 276 -0.986 36.572 30.248 1.00 36.26 C ATOM 381 OG SER A 276 0.092 35.764 30.677 1.00 37.40 O ATOM 382 HA SER A 276 -3.106 36.318 29.857 1.00 0.00 H ATOM 383 HB2 SER A 276 -1.161 37.363 30.977 1.00 0.00 H ATOM 384 HB3 SER A 276 -0.747 37.016 29.282 1.00 0.00 H ATOM 385 HG SER A 276 0.906 36.320 30.762 1.00 0.00 H ATOM 386 H SER A 276 -1.828 35.130 32.166 1.00 0.00 H ATOM 387 N VAL A 277 -1.728 33.462 29.287 1.00 29.04 N ATOM 388 CA VAL A 277 -1.517 32.427 28.257 1.00 29.69 C ATOM 389 C VAL A 277 -2.857 32.077 27.580 1.00 29.25 C ATOM 390 O VAL A 277 -3.849 31.842 28.273 1.00 29.99 O ATOM 391 CB VAL A 277 -0.882 31.158 28.855 1.00 27.17 C ATOM 392 CG1 VAL A 277 -0.574 30.140 27.750 1.00 25.14 C ATOM 393 CG2 VAL A 277 0.391 31.493 29.641 1.00 26.65 C ATOM 394 HA VAL A 277 -0.828 32.828 27.514 1.00 0.00 H ATOM 395 HB VAL A 277 -1.600 30.718 29.547 1.00 0.00 H ATOM 396 HG11 VAL A 277 -1.498 29.868 27.240 1.00 0.00 H ATOM 397 HG12 VAL A 277 0.120 30.581 27.035 1.00 0.00 H ATOM 398 HG13 VAL A 277 -0.126 29.250 28.192 1.00 0.00 H ATOM 399 HG21 VAL A 277 1.114 31.964 28.975 1.00 0.00 H ATOM 400 HG22 VAL A 277 0.145 32.176 30.454 1.00 0.00 H ATOM 401 HG23 VAL A 277 0.815 30.576 30.051 1.00 0.00 H ATOM 402 H VAL A 277 -1.608 33.212 30.289 1.00 0.00 H ATOM 403 N PRO A 278 -2.908 32.074 26.229 1.00 30.87 N ATOM 404 CA PRO A 278 -4.221 31.862 25.586 1.00 31.60 C ATOM 405 C PRO A 278 -4.767 30.416 25.635 1.00 31.58 C ATOM 406 O PRO A 278 -5.963 30.210 25.437 1.00 37.69 O ATOM 407 CB PRO A 278 -3.994 32.327 24.137 1.00 33.82 C ATOM 408 CG PRO A 278 -2.519 32.210 23.925 1.00 34.71 C ATOM 409 CD PRO A 278 -1.861 32.438 25.256 1.00 31.43 C ATOM 410 HA PRO A 278 -4.993 32.415 26.122 1.00 0.00 H ATOM 411 HD3 PRO A 278 -0.984 31.801 25.371 1.00 0.00 H ATOM 412 HD2 PRO A 278 -1.568 33.481 25.372 1.00 0.00 H ATOM 413 HG3 PRO A 278 -2.183 32.960 23.209 1.00 0.00 H ATOM 414 HG2 PRO A 278 -2.273 31.216 23.551 1.00 0.00 H ATOM 415 HB2 PRO A 278 -4.534 31.688 23.439 1.00 0.00 H ATOM 416 HB3 PRO A 278 -4.320 33.359 24.009 1.00 0.00 H ATOM 417 N VAL A 279 -3.915 29.437 25.907 1.00 27.23 N ATOM 418 CA VAL A 279 -4.373 28.047 26.044 1.00 26.77 C ATOM 419 C VAL A 279 -4.701 27.756 27.517 1.00 27.17 C ATOM 420 O VAL A 279 -3.927 28.125 28.405 1.00 26.10 O ATOM 421 CB VAL A 279 -3.329 27.059 25.497 1.00 27.16 C ATOM 422 CG1 VAL A 279 -3.856 25.628 25.588 1.00 26.71 C ATOM 423 CG2 VAL A 279 -3.034 27.402 24.041 1.00 28.55 C ATOM 424 HA VAL A 279 -5.278 27.914 25.451 1.00 0.00 H ATOM 425 HB VAL A 279 -2.417 27.135 26.090 1.00 0.00 H ATOM 426 HG11 VAL A 279 -4.066 25.385 26.630 1.00 0.00 H ATOM 427 HG12 VAL A 279 -4.771 25.541 25.002 1.00 0.00 H ATOM 428 HG13 VAL A 279 -3.106 24.940 25.197 1.00 0.00 H ATOM 429 HG21 VAL A 279 -3.952 27.327 23.458 1.00 0.00 H ATOM 430 HG22 VAL A 279 -2.646 28.419 23.980 1.00 0.00 H ATOM 431 HG23 VAL A 279 -2.294 26.705 23.647 1.00 0.00 H ATOM 432 H VAL A 279 -2.905 29.656 26.025 1.00 0.00 H ATOM 433 N GLN A 280 -5.848 27.108 27.748 1.00 26.47 N ATOM 434 CA GLN A 280 -6.378 26.831 29.096 1.00 27.92 C ATOM 435 C GLN A 280 -5.885 25.499 29.690 1.00 25.24 C ATOM 436 O GLN A 280 -5.652 24.546 28.945 1.00 25.80 O ATOM 437 CB GLN A 280 -7.915 26.834 29.059 1.00 29.22 C ATOM 438 CG GLN A 280 -8.518 28.164 28.611 1.00 35.26 C ATOM 439 CD GLN A 280 -7.971 29.332 29.414 1.00 39.43 C ATOM 440 OE1 GLN A 280 -8.261 29.464 30.604 1.00 41.19 O ATOM 441 NE2 GLN A 280 -7.147 30.168 28.776 1.00 38.39 N ATOM 442 HA GLN A 280 -6.003 27.623 29.744 1.00 0.00 H ATOM 443 HB2 GLN A 280 -8.244 26.057 28.369 1.00 0.00 H ATOM 444 HB3 GLN A 280 -8.284 26.609 30.060 1.00 0.00 H ATOM 445 HG2 GLN A 280 -8.285 28.320 27.558 1.00 0.00 H ATOM 446 HG3 GLN A 280 -9.599 28.123 28.740 1.00 0.00 H ATOM 447 HE22 GLN A 280 -6.930 30.018 27.770 1.00 0.00 H ATOM 448 HE21 GLN A 280 -6.722 30.969 29.285 1.00 0.00 H ATOM 449 H GLN A 280 -6.398 26.780 26.929 1.00 0.00 H ATOM 450 N PRO A 281 -5.740 25.438 31.033 1.00 24.01 N ATOM 451 CA PRO A 281 -5.364 24.239 31.757 1.00 21.92 C ATOM 452 C PRO A 281 -6.173 23.015 31.333 1.00 22.65 C ATOM 453 O PRO A 281 -5.603 21.954 31.129 1.00 19.45 O ATOM 454 CB PRO A 281 -5.667 24.618 33.206 1.00 23.63 C ATOM 455 CG PRO A 281 -5.241 26.057 33.253 1.00 23.79 C ATOM 456 CD PRO A 281 -5.789 26.611 31.945 1.00 25.81 C ATOM 457 HA PRO A 281 -4.328 23.952 31.577 1.00 0.00 H ATOM 458 HD3 PRO A 281 -6.811 26.968 32.069 1.00 0.00 H ATOM 459 HD2 PRO A 281 -5.165 27.423 31.572 1.00 0.00 H ATOM 460 HG3 PRO A 281 -4.155 26.145 33.293 1.00 0.00 H ATOM 461 HG2 PRO A 281 -5.678 26.569 34.111 1.00 0.00 H ATOM 462 HB2 PRO A 281 -6.729 24.512 33.429 1.00 0.00 H ATOM 463 HB3 PRO A 281 -5.089 24.011 33.903 1.00 0.00 H ATOM 464 N GLU A 282 -7.488 23.166 31.199 1.00 23.90 N ATOM 465 CA GLU A 282 -8.318 22.031 30.809 1.00 27.54 C ATOM 466 C GLU A 282 -7.833 21.387 29.492 1.00 26.11 C ATOM 467 O GLU A 282 -7.747 20.166 29.405 1.00 26.64 O ATOM 468 CB GLU A 282 -9.782 22.458 30.699 1.00 32.47 C ATOM 469 CG GLU A 282 -10.716 21.373 30.176 1.00 43.00 C ATOM 470 CD GLU A 282 -10.683 20.093 31.000 1.00 50.28 C ATOM 471 OE1 GLU A 282 -10.607 20.178 32.250 1.00 54.85 O ATOM 472 OE2 GLU A 282 -10.752 18.997 30.394 1.00 59.42 O ATOM 473 HA GLU A 282 -8.230 21.273 31.588 1.00 0.00 H ATOM 474 HB2 GLU A 282 -10.126 22.756 31.689 1.00 0.00 H ATOM 475 HB3 GLU A 282 -9.839 23.312 30.024 1.00 0.00 H ATOM 476 HG2 GLU A 282 -11.734 21.762 30.183 1.00 0.00 H ATOM 477 HG3 GLU A 282 -10.427 21.132 29.153 1.00 0.00 H ATOM 478 H GLU A 282 -7.925 24.094 31.372 1.00 0.00 H ATOM 479 N GLN A 283 -7.506 22.205 28.486 1.00 25.19 N ATOM 480 CA GLN A 283 -7.084 21.678 27.183 1.00 24.86 C ATOM 481 C GLN A 283 -5.731 20.966 27.281 1.00 22.25 C ATOM 482 O GLN A 283 -5.485 19.961 26.598 1.00 21.33 O ATOM 483 CB GLN A 283 -6.995 22.763 26.098 1.00 26.64 C ATOM 484 CG GLN A 283 -8.325 22.968 25.379 1.00 27.86 C ATOM 485 CD GLN A 283 -9.436 23.400 26.320 1.00 30.08 C ATOM 486 OE1 GLN A 283 -10.386 22.652 26.572 1.00 32.19 O ATOM 487 NE2 GLN A 283 -9.313 24.602 26.858 1.00 29.43 N ATOM 488 HA GLN A 283 -7.858 20.967 26.892 1.00 0.00 H ATOM 489 HB2 GLN A 283 -6.699 23.703 26.564 1.00 0.00 H ATOM 490 HB3 GLN A 283 -6.242 22.468 25.367 1.00 0.00 H ATOM 491 HG2 GLN A 283 -8.195 23.735 24.616 1.00 0.00 H ATOM 492 HG3 GLN A 283 -8.614 22.030 24.904 1.00 0.00 H ATOM 493 HE22 GLN A 283 -8.496 25.198 26.617 1.00 0.00 H ATOM 494 HE21 GLN A 283 -10.033 24.951 27.522 1.00 0.00 H ATOM 495 H GLN A 283 -7.552 23.234 28.630 1.00 0.00 H ATOM 496 N LEU A 284 -4.855 21.510 28.125 1.00 19.79 N ATOM 497 CA LEU A 284 -3.502 20.969 28.296 1.00 18.92 C ATOM 498 C LEU A 284 -3.521 19.655 29.081 1.00 17.86 C ATOM 499 O LEU A 284 -2.921 18.660 28.654 1.00 16.76 O ATOM 500 CB LEU A 284 -2.592 22.007 28.979 1.00 17.78 C ATOM 501 CG LEU A 284 -2.325 23.257 28.122 1.00 20.59 C ATOM 502 CD1 LEU A 284 -1.853 24.438 28.960 1.00 19.18 C ATOM 503 CD2 LEU A 284 -1.318 22.972 27.027 1.00 20.60 C ATOM 504 HA LEU A 284 -3.097 20.752 27.307 1.00 0.00 H ATOM 505 HB2 LEU A 284 -3.066 22.322 29.908 1.00 0.00 H ATOM 506 HB3 LEU A 284 -1.636 21.533 29.203 1.00 0.00 H ATOM 507 HG LEU A 284 -3.278 23.525 27.665 1.00 0.00 H ATOM 508 HD21 LEU A 284 -0.377 22.652 27.475 1.00 0.00 H ATOM 509 HD22 LEU A 284 -1.701 22.183 26.379 1.00 0.00 H ATOM 510 HD23 LEU A 284 -1.154 23.877 26.442 1.00 0.00 H ATOM 511 HD11 LEU A 284 -2.617 24.688 29.696 1.00 0.00 H ATOM 512 HD12 LEU A 284 -0.927 24.173 29.471 1.00 0.00 H ATOM 513 HD13 LEU A 284 -1.678 25.296 28.311 1.00 0.00 H ATOM 514 H LEU A 284 -5.139 22.343 28.679 1.00 0.00 H ATOM 515 N ALA A 285 -4.227 19.650 30.214 1.00 18.21 N ATOM 516 CA ALA A 285 -4.330 18.461 31.046 1.00 17.91 C ATOM 517 C ALA A 285 -4.979 17.316 30.292 1.00 19.48 C ATOM 518 O ALA A 285 -4.550 16.179 30.425 1.00 20.93 O ATOM 519 CB ALA A 285 -5.098 18.749 32.334 1.00 20.18 C ATOM 520 HA ALA A 285 -3.315 18.165 31.312 1.00 0.00 H ATOM 521 HB1 ALA A 285 -4.580 19.524 32.899 1.00 0.00 H ATOM 522 HB2 ALA A 285 -6.104 19.088 32.087 1.00 0.00 H ATOM 523 HB3 ALA A 285 -5.156 17.839 32.932 1.00 0.00 H ATOM 524 H ALA A 285 -4.716 20.519 30.510 1.00 0.00 H ATOM 525 N SER A 286 -5.993 17.613 29.491 1.00 20.23 N ATOM 526 CA SER A 286 -6.654 16.589 28.666 1.00 21.43 C ATOM 527 C SER A 286 -5.711 15.915 27.680 1.00 21.43 C ATOM 528 O SER A 286 -5.889 14.736 27.363 1.00 22.77 O ATOM 529 CB SER A 286 -7.825 17.200 27.908 1.00 23.67 C ATOM 530 OG SER A 286 -8.832 17.567 28.818 1.00 30.16 O ATOM 531 HA SER A 286 -7.006 15.820 29.354 1.00 0.00 H ATOM 532 HB2 SER A 286 -8.221 16.471 27.202 1.00 0.00 H ATOM 533 HB3 SER A 286 -7.486 18.082 27.365 1.00 0.00 H ATOM 534 HG SER A 286 -8.471 18.230 29.458 1.00 0.00 H ATOM 535 H SER A 286 -6.330 18.596 29.444 1.00 0.00 H ATOM 536 N ALA A 287 -4.714 16.663 27.205 1.00 17.97 N ATOM 537 CA ALA A 287 -3.755 16.153 26.238 1.00 18.33 C ATOM 538 C ALA A 287 -2.515 15.565 26.901 1.00 17.19 C ATOM 539 O ALA A 287 -1.534 15.279 26.225 1.00 17.97 O ATOM 540 CB ALA A 287 -3.386 17.238 25.216 1.00 18.72 C ATOM 541 HA ALA A 287 -4.237 15.332 25.707 1.00 0.00 H ATOM 542 HB1 ALA A 287 -4.284 17.558 24.688 1.00 0.00 H ATOM 543 HB2 ALA A 287 -2.945 18.089 25.735 1.00 0.00 H ATOM 544 HB3 ALA A 287 -2.668 16.834 24.503 1.00 0.00 H ATOM 545 H ALA A 287 -4.619 17.644 27.537 1.00 0.00 H ATOM 546 N GLY A 288 -2.579 15.359 28.220 1.00 16.14 N ATOM 547 CA GLY A 288 -1.512 14.678 28.985 1.00 16.24 C ATOM 548 C GLY A 288 -0.478 15.593 29.627 1.00 16.17 C ATOM 549 O GLY A 288 0.486 15.114 30.252 1.00 15.26 O ATOM 550 HA3 GLY A 288 -0.989 14.005 28.306 1.00 0.00 H ATOM 551 HA2 GLY A 288 -1.985 14.098 29.777 1.00 0.00 H ATOM 552 H GLY A 288 -3.419 15.694 28.733 1.00 0.00 H ATOM 553 N PHE A 289 -0.676 16.904 29.480 1.00 15.89 N ATOM 554 CA PHE A 289 0.312 17.902 29.933 1.00 15.94 C ATOM 555 C PHE A 289 0.051 18.403 31.347 1.00 16.80 C ATOM 556 O PHE A 289 -1.105 18.555 31.766 1.00 17.49 O ATOM 557 CB PHE A 289 0.417 19.083 28.965 1.00 15.68 C ATOM 558 CG PHE A 289 0.890 18.695 27.602 1.00 17.47 C ATOM 559 CD1 PHE A 289 2.228 18.367 27.382 1.00 18.12 C ATOM 560 CD2 PHE A 289 -0.005 18.632 26.536 1.00 20.05 C ATOM 561 CE1 PHE A 289 2.659 17.994 26.107 1.00 20.79 C ATOM 562 CE2 PHE A 289 0.419 18.249 25.259 1.00 20.65 C ATOM 563 CZ PHE A 289 1.750 17.931 25.052 1.00 20.00 C ATOM 564 HA PHE A 289 1.267 17.377 29.946 1.00 0.00 H ATOM 565 HB2 PHE A 289 -0.567 19.542 28.872 1.00 0.00 H ATOM 566 HB3 PHE A 289 1.117 19.809 29.380 1.00 0.00 H ATOM 567 HD2 PHE A 289 -1.052 18.885 26.700 1.00 0.00 H ATOM 568 HE2 PHE A 289 -0.292 18.201 24.435 1.00 0.00 H ATOM 569 HZ PHE A 289 2.089 17.630 24.061 1.00 0.00 H ATOM 570 HE1 PHE A 289 3.708 17.752 25.937 1.00 0.00 H ATOM 571 HD1 PHE A 289 2.939 18.402 28.207 1.00 0.00 H ATOM 572 H PHE A 289 -1.555 17.233 29.032 1.00 0.00 H ATOM 573 N TYR A 290 1.140 18.637 32.085 1.00 14.83 N ATOM 574 CA TYR A 290 1.069 19.295 33.381 1.00 16.27 C ATOM 575 C TYR A 290 2.090 20.465 33.442 1.00 15.89 C ATOM 576 O TYR A 290 3.086 20.483 32.705 1.00 15.45 O ATOM 577 CB TYR A 290 1.287 18.283 34.521 1.00 15.74 C ATOM 578 CG TYR A 290 2.651 17.616 34.505 1.00 15.85 C ATOM 579 CD1 TYR A 290 2.894 16.476 33.725 1.00 18.46 C ATOM 580 CD2 TYR A 290 3.712 18.155 35.249 1.00 17.74 C ATOM 581 CE1 TYR A 290 4.149 15.859 33.708 1.00 16.96 C ATOM 582 CE2 TYR A 290 4.970 17.563 35.232 1.00 19.65 C ATOM 583 CZ TYR A 290 5.183 16.424 34.457 1.00 18.71 C ATOM 584 OH TYR A 290 6.438 15.864 34.465 1.00 20.30 O ATOM 585 HA TYR A 290 0.072 19.715 33.512 1.00 0.00 H ATOM 586 HB3 TYR A 290 0.525 17.507 34.441 1.00 0.00 H ATOM 587 HB2 TYR A 290 1.173 18.806 35.470 1.00 0.00 H ATOM 588 HD2 TYR A 290 3.548 19.050 35.849 1.00 0.00 H ATOM 589 HE2 TYR A 290 5.784 17.987 35.820 1.00 0.00 H ATOM 590 HE1 TYR A 290 4.316 14.955 33.122 1.00 0.00 H ATOM 591 HD1 TYR A 290 2.088 16.062 33.119 1.00 0.00 H ATOM 592 HH TYR A 290 6.447 15.068 33.876 1.00 0.00 H ATOM 593 H TYR A 290 2.068 18.339 31.722 1.00 0.00 H ATOM 594 N TYR A 291 1.822 21.438 34.315 1.00 16.94 N ATOM 595 CA TYR A 291 2.651 22.642 34.427 1.00 16.64 C ATOM 596 C TYR A 291 3.871 22.354 35.272 1.00 17.38 C ATOM 597 O TYR A 291 3.765 21.760 36.342 1.00 19.68 O ATOM 598 CB TYR A 291 1.829 23.752 35.081 1.00 16.61 C ATOM 599 CG TYR A 291 2.501 25.104 35.141 1.00 15.53 C ATOM 600 CD1 TYR A 291 3.355 25.547 34.111 1.00 15.63 C ATOM 601 CD2 TYR A 291 2.248 25.964 36.210 1.00 17.09 C ATOM 602 CE1 TYR A 291 3.931 26.820 34.162 1.00 17.23 C ATOM 603 CE2 TYR A 291 2.816 27.239 36.268 1.00 17.77 C ATOM 604 CZ TYR A 291 3.650 27.658 35.241 1.00 18.07 C ATOM 605 OH TYR A 291 4.210 28.912 35.304 1.00 19.47 O ATOM 606 HA TYR A 291 2.974 22.953 33.434 1.00 0.00 H ATOM 607 HB3 TYR A 291 1.599 23.445 36.101 1.00 0.00 H ATOM 608 HB2 TYR A 291 0.902 23.861 34.518 1.00 0.00 H ATOM 609 HD2 TYR A 291 1.593 25.634 37.017 1.00 0.00 H ATOM 610 HE2 TYR A 291 2.606 27.898 37.111 1.00 0.00 H ATOM 611 HE1 TYR A 291 4.595 27.155 33.365 1.00 0.00 H ATOM 612 HD1 TYR A 291 3.568 24.891 33.267 1.00 0.00 H ATOM 613 HH TYR A 291 4.775 29.061 34.504 1.00 0.00 H ATOM 614 H TYR A 291 0.995 21.339 34.938 1.00 0.00 H ATOM 615 N VAL A 292 5.042 22.733 34.769 1.00 18.34 N ATOM 616 CA VAL A 292 6.294 22.543 35.542 1.00 19.02 C ATOM 617 C VAL A 292 6.724 23.739 36.395 1.00 18.90 C ATOM 618 O VAL A 292 7.779 23.700 37.041 1.00 19.71 O ATOM 619 CB VAL A 292 7.458 22.049 34.646 1.00 21.17 C ATOM 620 CG1 VAL A 292 7.038 20.785 33.927 1.00 25.05 C ATOM 621 CG2 VAL A 292 7.870 23.132 33.666 1.00 24.45 C ATOM 622 HA VAL A 292 6.045 21.761 36.259 1.00 0.00 H ATOM 623 HB VAL A 292 8.325 21.823 35.267 1.00 0.00 H ATOM 624 HG11 VAL A 292 6.791 20.017 34.660 1.00 0.00 H ATOM 625 HG12 VAL A 292 6.165 20.993 33.308 1.00 0.00 H ATOM 626 HG13 VAL A 292 7.857 20.438 33.297 1.00 0.00 H ATOM 627 HG21 VAL A 292 7.020 23.390 33.034 1.00 0.00 H ATOM 628 HG22 VAL A 292 8.196 24.014 34.217 1.00 0.00 H ATOM 629 HG23 VAL A 292 8.688 22.767 33.046 1.00 0.00 H ATOM 630 H VAL A 292 5.081 23.167 33.825 1.00 0.00 H ATOM 631 N GLY A 293 5.900 24.791 36.419 1.00 17.20 N ATOM 632 CA GLY A 293 6.086 25.887 37.341 1.00 17.87 C ATOM 633 C GLY A 293 7.016 26.996 36.853 1.00 19.18 C ATOM 634 O GLY A 293 7.392 27.857 37.636 1.00 20.19 O ATOM 635 HA3 GLY A 293 6.498 25.484 38.266 1.00 0.00 H ATOM 636 HA2 GLY A 293 5.110 26.329 37.542 1.00 0.00 H ATOM 637 H GLY A 293 5.101 24.821 35.754 1.00 0.00 H ATOM 638 N ARG A 294 7.379 26.969 35.563 1.00 19.04 N ATOM 639 CA ARG A 294 8.216 28.033 34.961 1.00 20.56 C ATOM 640 C ARG A 294 7.553 28.540 33.695 1.00 22.05 C ATOM 641 O ARG A 294 7.180 27.739 32.847 1.00 20.31 O ATOM 642 CB ARG A 294 9.589 27.486 34.571 1.00 22.98 C ATOM 643 CG ARG A 294 10.486 27.120 35.730 1.00 26.58 C ATOM 644 CD ARG A 294 11.766 26.436 35.227 1.00 30.68 C ATOM 645 NE ARG A 294 11.470 25.049 34.878 1.00 35.81 N ATOM 646 CZ ARG A 294 11.423 24.060 35.764 1.00 36.43 C ATOM 647 NH1 ARG A 294 11.702 24.310 37.045 1.00 34.29 N ATOM 648 NH2 ARG A 294 11.121 22.828 35.367 1.00 37.04 N ATOM 649 HA ARG A 294 8.328 28.830 35.696 1.00 0.00 H ATOM 650 HB2 ARG A 294 9.437 26.592 33.966 1.00 0.00 H ATOM 651 HB3 ARG A 294 10.098 28.244 33.976 1.00 0.00 H ATOM 652 HG2 ARG A 294 10.754 28.025 36.276 1.00 0.00 H ATOM 653 HG3 ARG A 294 9.953 26.440 36.395 1.00 0.00 H ATOM 654 HD2 ARG A 294 12.524 26.460 36.010 1.00 0.00 H ATOM 655 HD3 ARG A 294 12.138 26.961 34.347 1.00 0.00 H ATOM 656 HE ARG A 294 11.286 24.823 33.880 1.00 0.00 H ATOM 657 HH12 ARG A 294 11.667 23.541 37.744 1.00 0.00 H ATOM 658 HH11 ARG A 294 11.954 25.274 37.344 1.00 0.00 H ATOM 659 HH22 ARG A 294 11.084 22.053 36.059 1.00 0.00 H ATOM 660 HH21 ARG A 294 10.922 22.639 34.364 1.00 0.00 H ATOM 661 H ARG A 294 7.064 26.177 34.967 1.00 0.00 H ATOM 662 N ASN A 295 7.423 29.864 33.560 1.00 24.98 N ATOM 663 CA ASN A 295 6.870 30.485 32.336 1.00 25.11 C ATOM 664 C ASN A 295 5.556 29.809 31.897 1.00 24.78 C ATOM 665 O ASN A 295 4.625 29.731 32.705 1.00 21.26 O ATOM 666 CB ASN A 295 7.929 30.509 31.224 1.00 29.52 C ATOM 667 CG ASN A 295 9.071 31.497 31.521 1.00 34.84 C ATOM 668 OD1 ASN A 295 10.221 31.106 31.700 1.00 35.22 O ATOM 669 ND2 ASN A 295 8.742 32.777 31.585 1.00 36.46 N ATOM 670 HA ASN A 295 6.611 31.520 32.559 1.00 0.00 H ATOM 671 HB2 ASN A 295 8.350 29.509 31.119 1.00 0.00 H ATOM 672 HB3 ASN A 295 7.449 30.799 30.290 1.00 0.00 H ATOM 673 HD22 ASN A 295 7.756 33.069 31.427 1.00 0.00 H ATOM 674 HD21 ASN A 295 9.469 33.491 31.793 1.00 0.00 H ATOM 675 H ASN A 295 7.721 30.479 34.343 1.00 0.00 H ATOM 676 N ASP A 296 5.474 29.334 30.643 1.00 22.06 N ATOM 677 CA ASP A 296 4.332 28.517 30.212 1.00 20.84 C ATOM 678 C ASP A 296 4.783 27.110 29.768 1.00 20.21 C ATOM 679 O ASP A 296 4.160 26.492 28.888 1.00 20.35 O ATOM 680 CB ASP A 296 3.468 29.229 29.140 1.00 23.22 C ATOM 681 CG ASP A 296 4.169 29.381 27.784 1.00 25.02 C ATOM 682 OD1 ASP A 296 5.396 29.138 27.685 1.00 24.78 O ATOM 683 OD2 ASP A 296 3.464 29.742 26.793 1.00 26.68 O ATOM 684 HA ASP A 296 3.684 28.386 31.079 1.00 0.00 H ATOM 685 HB2 ASP A 296 2.556 28.651 28.993 1.00 0.00 H ATOM 686 HB3 ASP A 296 3.212 30.222 29.508 1.00 0.00 H ATOM 687 H ASP A 296 6.233 29.549 29.965 1.00 0.00 H ATOM 688 N ASP A 297 5.844 26.615 30.408 1.00 19.23 N ATOM 689 CA ASP A 297 6.406 25.278 30.122 1.00 18.81 C ATOM 690 C ASP A 297 5.527 24.155 30.666 1.00 18.16 C ATOM 691 O ASP A 297 5.201 24.140 31.858 1.00 18.52 O ATOM 692 CB ASP A 297 7.781 25.138 30.783 1.00 19.55 C ATOM 693 CG ASP A 297 8.839 26.029 30.172 1.00 24.25 C ATOM 694 OD1 ASP A 297 8.552 26.797 29.224 1.00 25.64 O ATOM 695 OD2 ASP A 297 9.981 25.956 30.669 1.00 24.74 O ATOM 696 HA ASP A 297 6.471 25.193 29.037 1.00 0.00 H ATOM 697 HB2 ASP A 297 7.684 25.392 31.839 1.00 0.00 H ATOM 698 HB3 ASP A 297 8.106 24.102 30.688 1.00 0.00 H ATOM 699 H ASP A 297 6.296 27.197 31.142 1.00 0.00 H ATOM 700 N VAL A 298 5.164 23.199 29.802 1.00 17.07 N ATOM 701 CA VAL A 298 4.443 21.999 30.216 1.00 17.09 C ATOM 702 C VAL A 298 5.191 20.757 29.730 1.00 16.41 C ATOM 703 O VAL A 298 5.969 20.835 28.761 1.00 17.53 O ATOM 704 CB VAL A 298 2.979 21.975 29.693 1.00 15.80 C ATOM 705 CG1 VAL A 298 2.220 23.174 30.251 1.00 17.36 C ATOM 706 CG2 VAL A 298 2.921 21.961 28.142 1.00 17.71 C ATOM 707 HA VAL A 298 4.395 22.006 31.305 1.00 0.00 H ATOM 708 HB VAL A 298 2.507 21.055 30.038 1.00 0.00 H ATOM 709 HG11 VAL A 298 2.218 23.127 31.340 1.00 0.00 H ATOM 710 HG12 VAL A 298 2.707 24.094 29.927 1.00 0.00 H ATOM 711 HG13 VAL A 298 1.194 23.156 29.884 1.00 0.00 H ATOM 712 HG21 VAL A 298 3.409 22.855 27.753 1.00 0.00 H ATOM 713 HG22 VAL A 298 3.433 21.074 27.769 1.00 0.00 H ATOM 714 HG23 VAL A 298 1.880 21.944 27.819 1.00 0.00 H ATOM 715 H VAL A 298 5.405 23.316 28.797 1.00 0.00 H ATOM 716 N LYS A 299 4.978 19.642 30.422 1.00 15.75 N ATOM 717 CA LYS A 299 5.545 18.342 30.022 1.00 17.44 C ATOM 718 C LYS A 299 4.438 17.289 30.013 1.00 16.17 C ATOM 719 O LYS A 299 3.509 17.335 30.842 1.00 14.34 O ATOM 720 CB LYS A 299 6.638 17.898 31.007 1.00 21.29 C ATOM 721 CG LYS A 299 7.944 18.661 30.845 1.00 28.17 C ATOM 722 CD LYS A 299 9.020 18.133 31.793 1.00 32.58 C ATOM 723 CE LYS A 299 9.980 17.203 31.078 1.00 43.28 C ATOM 724 NZ LYS A 299 10.746 17.856 29.979 1.00 52.76 N ATOM 725 HA LYS A 299 5.981 18.447 29.029 1.00 0.00 H ATOM 726 HB2 LYS A 299 6.272 18.051 32.022 1.00 0.00 H ATOM 727 HB3 LYS A 299 6.835 16.838 30.850 1.00 0.00 H ATOM 728 HG2 LYS A 299 8.292 18.554 29.818 1.00 0.00 H ATOM 729 HG3 LYS A 299 7.768 19.715 31.060 1.00 0.00 H ATOM 730 HD2 LYS A 299 9.579 18.976 32.200 1.00 0.00 H ATOM 731 HD3 LYS A 299 8.540 17.590 32.607 1.00 0.00 H ATOM 732 HE2 LYS A 299 9.408 16.378 30.655 1.00 0.00 H ATOM 733 HE3 LYS A 299 10.690 16.814 31.808 1.00 0.00 H ATOM 734 HZ1 LYS A 299 10.083 18.223 29.267 1.00 0.00 H ATOM 735 HZ2 LYS A 299 11.308 18.640 30.368 1.00 0.00 H ATOM 736 HZ3 LYS A 299 11.380 17.159 29.538 1.00 0.00 H ATOM 737 H LYS A 299 4.389 19.689 31.278 1.00 0.00 H ATOM 738 N CYS A 300 4.566 16.320 29.114 1.00 14.95 N ATOM 739 CA CYS A 300 3.663 15.149 29.107 1.00 15.48 C ATOM 740 C CYS A 300 4.023 14.133 30.189 1.00 15.88 C ATOM 741 O CYS A 300 5.214 13.772 30.369 1.00 15.41 O ATOM 742 CB CYS A 300 3.655 14.453 27.728 1.00 16.47 C ATOM 743 SG CYS A 300 2.609 12.948 27.631 1.00 16.75 S ATOM 744 HA CYS A 300 2.665 15.533 29.320 1.00 0.00 H ATOM 745 HB2 CYS A 300 4.679 14.171 27.484 1.00 0.00 H ATOM 746 HB3 CYS A 300 3.291 15.167 26.990 1.00 0.00 H ATOM 747 HG CYS A 300 2.683 12.419 26.358 1.00 0.00 H ATOM 748 H CYS A 300 5.318 16.386 28.399 1.00 0.00 H ATOM 749 N PHE A 301 3.007 13.649 30.917 1.00 16.18 N ATOM 750 CA PHE A 301 3.255 12.684 31.999 1.00 16.66 C ATOM 751 C PHE A 301 3.784 11.353 31.479 1.00 17.35 C ATOM 752 O PHE A 301 4.459 10.632 32.213 1.00 18.51 O ATOM 753 CB PHE A 301 1.987 12.445 32.833 1.00 18.32 C ATOM 754 CG PHE A 301 1.042 11.427 32.219 1.00 17.30 C ATOM 755 CD1 PHE A 301 0.118 11.825 31.259 1.00 18.00 C ATOM 756 CD2 PHE A 301 1.094 10.080 32.589 1.00 18.53 C ATOM 757 CE1 PHE A 301 -0.751 10.889 30.691 1.00 17.46 C ATOM 758 CE2 PHE A 301 0.223 9.150 32.035 1.00 19.13 C ATOM 759 CZ PHE A 301 -0.691 9.562 31.066 1.00 18.12 C ATOM 760 HA PHE A 301 4.023 13.127 32.633 1.00 0.00 H ATOM 761 HB2 PHE A 301 2.284 12.089 33.820 1.00 0.00 H ATOM 762 HB3 PHE A 301 1.456 13.392 32.934 1.00 0.00 H ATOM 763 HD2 PHE A 301 1.830 9.754 33.324 1.00 0.00 H ATOM 764 HE2 PHE A 301 0.254 8.108 32.355 1.00 0.00 H ATOM 765 HZ PHE A 301 -1.359 8.835 30.604 1.00 0.00 H ATOM 766 HE1 PHE A 301 -1.481 11.209 29.947 1.00 0.00 H ATOM 767 HD1 PHE A 301 0.071 12.869 30.949 1.00 0.00 H ATOM 768 H PHE A 301 2.035 13.958 30.715 1.00 0.00 H ATOM 769 N CYS A 302 3.449 11.012 30.236 1.00 17.61 N ATOM 770 CA CYS A 302 3.779 9.694 29.681 1.00 18.97 C ATOM 771 C CYS A 302 5.177 9.751 29.016 1.00 21.04 C ATOM 772 O CYS A 302 6.101 9.055 29.459 1.00 22.74 O ATOM 773 CB CYS A 302 2.662 9.252 28.701 1.00 19.41 C ATOM 774 SG CYS A 302 2.966 7.650 27.936 1.00 24.29 S ATOM 775 HA CYS A 302 3.829 8.944 30.470 1.00 0.00 H ATOM 776 HB2 CYS A 302 2.579 10.000 27.913 1.00 0.00 H ATOM 777 HB3 CYS A 302 1.722 9.199 29.251 1.00 0.00 H ATOM 778 HG CYS A 302 1.924 7.343 27.085 1.00 0.00 H ATOM 779 H CYS A 302 2.940 11.698 29.643 1.00 0.00 H ATOM 780 N CYS A 303 5.341 10.625 28.014 1.00 19.19 N ATOM 781 CA CYS A 303 6.542 10.632 27.152 1.00 19.77 C ATOM 782 C CYS A 303 7.630 11.637 27.568 1.00 20.80 C ATOM 783 O CYS A 303 8.745 11.619 27.021 1.00 20.89 O ATOM 784 CB CYS A 303 6.146 10.876 25.674 1.00 18.13 C ATOM 785 SG CYS A 303 5.566 12.567 25.304 1.00 17.69 S ATOM 786 HA CYS A 303 6.984 9.643 27.275 1.00 0.00 H ATOM 787 HB2 CYS A 303 5.347 10.180 25.418 1.00 0.00 H ATOM 788 HB3 CYS A 303 7.017 10.673 25.051 1.00 0.00 H ATOM 789 HG CYS A 303 4.450 12.846 26.066 1.00 0.00 H ATOM 790 H CYS A 303 4.594 11.326 27.836 1.00 0.00 H ATOM 791 N ASP A 304 7.293 12.511 28.519 1.00 18.99 N ATOM 792 CA ASP A 304 8.188 13.561 29.042 1.00 20.44 C ATOM 793 C ASP A 304 8.510 14.651 28.004 1.00 20.99 C ATOM 794 O ASP A 304 9.434 15.445 28.201 1.00 23.56 O ATOM 795 CB ASP A 304 9.477 12.956 29.658 1.00 23.09 C ATOM 796 CG ASP A 304 10.081 13.835 30.764 1.00 29.73 C ATOM 797 OD1 ASP A 304 9.325 14.340 31.623 1.00 26.79 O ATOM 798 OD2 ASP A 304 11.325 14.016 30.782 1.00 29.11 O ATOM 799 HA ASP A 304 7.639 14.059 29.842 1.00 0.00 H ATOM 800 HB2 ASP A 304 9.236 11.981 30.081 1.00 0.00 H ATOM 801 HB3 ASP A 304 10.217 12.835 28.867 1.00 0.00 H ATOM 802 H ASP A 304 6.335 12.448 28.918 1.00 0.00 H ATOM 803 N GLY A 305 7.735 14.698 26.920 1.00 19.17 N ATOM 804 CA GLY A 305 7.895 15.746 25.914 1.00 20.86 C ATOM 805 C GLY A 305 7.515 17.098 26.499 1.00 21.72 C ATOM 806 O GLY A 305 6.475 17.216 27.165 1.00 22.31 O ATOM 807 HA3 GLY A 305 7.252 15.528 25.061 1.00 0.00 H ATOM 808 HA2 GLY A 305 8.934 15.775 25.585 1.00 0.00 H ATOM 809 H GLY A 305 7.001 13.973 26.788 1.00 0.00 H ATOM 810 N GLY A 306 8.339 18.117 26.259 1.00 19.87 N ATOM 811 CA GLY A 306 8.054 19.468 26.782 1.00 19.51 C ATOM 812 C GLY A 306 7.690 20.467 25.699 1.00 18.74 C ATOM 813 O GLY A 306 8.338 20.498 24.636 1.00 22.46 O ATOM 814 HA3 GLY A 306 8.939 19.831 27.304 1.00 0.00 H ATOM 815 HA2 GLY A 306 7.222 19.399 27.483 1.00 0.00 H ATOM 816 H GLY A 306 9.197 17.958 25.694 1.00 0.00 H ATOM 817 N LEU A 307 6.677 21.291 25.980 1.00 17.70 N ATOM 818 CA LEU A 307 6.235 22.349 25.069 1.00 18.80 C ATOM 819 C LEU A 307 6.137 23.691 25.781 1.00 20.10 C ATOM 820 O LEU A 307 5.827 23.752 26.990 1.00 18.15 O ATOM 821 CB LEU A 307 4.870 21.996 24.456 1.00 19.34 C ATOM 822 CG LEU A 307 4.887 20.781 23.525 1.00 18.40 C ATOM 823 CD1 LEU A 307 3.445 20.381 23.198 1.00 19.71 C ATOM 824 CD2 LEU A 307 5.716 21.030 22.267 1.00 22.39 C ATOM 825 HA LEU A 307 6.980 22.430 24.277 1.00 0.00 H ATOM 826 HB2 LEU A 307 4.174 21.792 25.269 1.00 0.00 H ATOM 827 HB3 LEU A 307 4.519 22.857 23.886 1.00 0.00 H ATOM 828 HG LEU A 307 5.375 19.952 24.037 1.00 0.00 H ATOM 829 HD21 LEU A 307 5.296 21.873 21.718 1.00 0.00 H ATOM 830 HD22 LEU A 307 6.744 21.255 22.550 1.00 0.00 H ATOM 831 HD23 LEU A 307 5.697 20.139 21.639 1.00 0.00 H ATOM 832 HD11 LEU A 307 2.921 20.130 24.120 1.00 0.00 H ATOM 833 HD12 LEU A 307 2.941 21.213 22.707 1.00 0.00 H ATOM 834 HD13 LEU A 307 3.451 19.516 22.535 1.00 0.00 H ATOM 835 H LEU A 307 6.180 21.176 26.886 1.00 0.00 H ATOM 836 N ARG A 308 6.386 24.756 25.025 1.00 20.62 N ATOM 837 CA ARG A 308 6.255 26.119 25.552 1.00 20.63 C ATOM 838 C ARG A 308 5.836 27.101 24.471 1.00 23.84 C ATOM 839 O ARG A 308 5.649 26.720 23.308 1.00 25.88 O ATOM 840 CB ARG A 308 7.575 26.590 26.192 1.00 21.77 C ATOM 841 CG ARG A 308 8.777 26.513 25.251 1.00 24.56 C ATOM 842 CD ARG A 308 9.972 27.270 25.819 1.00 28.18 C ATOM 843 NE ARG A 308 10.420 26.712 27.100 1.00 29.84 N ATOM 844 CZ ARG A 308 11.657 26.278 27.357 1.00 32.47 C ATOM 845 NH1 ARG A 308 11.937 25.789 28.558 1.00 32.58 N ATOM 846 NH2 ARG A 308 12.617 26.338 26.432 1.00 34.32 N ATOM 847 HA ARG A 308 5.476 26.092 26.314 1.00 0.00 H ATOM 848 HB2 ARG A 308 7.453 27.625 26.511 1.00 0.00 H ATOM 849 HB3 ARG A 308 7.778 25.965 27.062 1.00 0.00 H ATOM 850 HG2 ARG A 308 9.052 25.468 25.110 1.00 0.00 H ATOM 851 HG3 ARG A 308 8.505 26.948 24.290 1.00 0.00 H ATOM 852 HD2 ARG A 308 9.690 28.312 25.969 1.00 0.00 H ATOM 853 HD3 ARG A 308 10.794 27.217 25.105 1.00 0.00 H ATOM 854 HE ARG A 308 9.721 26.650 27.867 1.00 0.00 H ATOM 855 HH12 ARG A 308 12.896 25.448 28.770 1.00 0.00 H ATOM 856 HH11 ARG A 308 11.197 25.747 29.288 1.00 0.00 H ATOM 857 HH22 ARG A 308 13.574 25.995 26.652 1.00 0.00 H ATOM 858 HH21 ARG A 308 12.409 26.728 25.491 1.00 0.00 H ATOM 859 H ARG A 308 6.681 24.620 24.037 1.00 0.00 H ATOM 860 N CYS A 309 5.694 28.365 24.874 1.00 24.13 N ATOM 861 CA CYS A 309 5.354 29.478 23.961 1.00 28.70 C ATOM 862 C CYS A 309 4.044 29.194 23.218 1.00 28.46 C ATOM 863 O CYS A 309 3.980 29.250 21.978 1.00 29.82 O ATOM 864 CB CYS A 309 6.508 29.759 22.991 1.00 31.27 C ATOM 865 SG CYS A 309 8.068 30.145 23.842 1.00 41.90 S ATOM 866 HA CYS A 309 5.202 30.378 24.557 1.00 0.00 H ATOM 867 HB2 CYS A 309 6.236 30.606 22.362 1.00 0.00 H ATOM 868 HB3 CYS A 309 6.660 28.879 22.367 1.00 0.00 H ATOM 869 HG CYS A 309 9.054 30.385 22.906 1.00 0.00 H ATOM 870 H CYS A 309 5.829 28.579 25.883 1.00 0.00 H ATOM 871 N TRP A 310 3.016 28.876 24.005 1.00 26.71 N ATOM 872 CA TRP A 310 1.651 28.635 23.529 1.00 26.08 C ATOM 873 C TRP A 310 1.031 29.862 22.940 1.00 30.51 C ATOM 874 O TRP A 310 1.119 30.962 23.514 1.00 30.04 O ATOM 875 CB TRP A 310 0.805 28.133 24.692 1.00 24.97 C ATOM 876 CG TRP A 310 1.265 26.785 25.138 1.00 25.05 C ATOM 877 CD1 TRP A 310 2.159 26.471 26.173 1.00 23.04 C ATOM 878 CD2 TRP A 310 0.914 25.506 24.524 1.00 24.01 C ATOM 879 NE1 TRP A 310 2.359 25.107 26.245 1.00 23.24 N ATOM 880 CE2 TRP A 310 1.631 24.470 25.285 1.00 21.89 C ATOM 881 CE3 TRP A 310 0.097 25.126 23.465 1.00 23.40 C ATOM 882 CZ2 TRP A 310 1.518 23.117 24.980 1.00 21.40 C ATOM 883 CZ3 TRP A 310 -0.028 23.753 23.179 1.00 23.45 C ATOM 884 CH2 TRP A 310 0.677 22.778 23.909 1.00 22.58 C ATOM 885 HA TRP A 310 1.695 27.888 22.737 1.00 0.00 H ATOM 886 HB2 TRP A 310 0.889 28.833 25.523 1.00 0.00 H ATOM 887 HB3 TRP A 310 -0.236 28.069 24.376 1.00 0.00 H ATOM 888 HE1 TRP A 310 2.977 24.633 26.934 1.00 0.00 H ATOM 889 HD1 TRP A 310 2.630 27.203 26.829 1.00 0.00 H ATOM 890 HZ2 TRP A 310 2.057 22.357 25.546 1.00 0.00 H ATOM 891 HH2 TRP A 310 0.567 21.729 23.635 1.00 0.00 H ATOM 892 HZ3 TRP A 310 -0.688 23.437 22.371 1.00 0.00 H ATOM 893 HE3 TRP A 310 -0.433 25.871 22.872 1.00 0.00 H ATOM 894 H TRP A 310 3.195 28.793 25.026 1.00 0.00 H ATOM 895 N GLU A 311 0.391 29.695 21.786 1.00 30.56 N ATOM 896 CA GLU A 311 -0.209 30.825 21.083 1.00 35.06 C ATOM 897 C GLU A 311 -1.687 30.594 20.833 1.00 34.21 C ATOM 898 O GLU A 311 -2.157 29.450 20.867 1.00 32.38 O ATOM 899 CB GLU A 311 0.539 31.083 19.781 1.00 37.91 C ATOM 900 CG GLU A 311 1.919 31.687 20.003 1.00 44.78 C ATOM 901 CD GLU A 311 2.796 31.636 18.767 1.00 50.44 C ATOM 902 OE1 GLU A 311 2.420 30.950 17.793 1.00 55.48 O ATOM 903 OE2 GLU A 311 3.869 32.278 18.776 1.00 58.25 O ATOM 904 HA GLU A 311 -0.124 31.711 21.712 1.00 0.00 H ATOM 905 HB2 GLU A 311 0.654 30.137 19.252 1.00 0.00 H ATOM 906 HB3 GLU A 311 -0.048 31.770 19.172 1.00 0.00 H ATOM 907 HG2 GLU A 311 1.798 32.729 20.301 1.00 0.00 H ATOM 908 HG3 GLU A 311 2.414 31.137 20.803 1.00 0.00 H ATOM 909 H GLU A 311 0.317 28.742 21.377 1.00 0.00 H ATOM 910 N SER A 312 -2.426 31.682 20.618 1.00 36.89 N ATOM 911 CA SER A 312 -3.867 31.584 20.417 1.00 37.61 C ATOM 912 C SER A 312 -4.152 30.645 19.253 1.00 38.71 C ATOM 913 O SER A 312 -3.538 30.752 18.183 1.00 40.68 O ATOM 914 CB SER A 312 -4.485 32.956 20.160 1.00 39.09 C ATOM 915 OG SER A 312 -4.159 33.407 18.866 1.00 42.07 O ATOM 916 HA SER A 312 -4.319 31.185 21.325 1.00 0.00 H ATOM 917 HB2 SER A 312 -4.104 33.665 20.895 1.00 0.00 H ATOM 918 HB3 SER A 312 -5.569 32.885 20.254 1.00 0.00 H ATOM 919 HG SER A 312 -4.507 32.766 18.197 1.00 0.00 H ATOM 920 H SER A 312 -1.968 32.615 20.593 1.00 0.00 H ATOM 921 N GLY A 313 -5.062 29.706 19.473 1.00 38.16 N ATOM 922 CA GLY A 313 -5.440 28.776 18.419 1.00 38.01 C ATOM 923 C GLY A 313 -4.622 27.493 18.422 1.00 35.95 C ATOM 924 O GLY A 313 -4.934 26.569 17.665 1.00 35.15 O ATOM 925 HA3 GLY A 313 -5.304 29.270 17.457 1.00 0.00 H ATOM 926 HA2 GLY A 313 -6.491 28.516 18.548 1.00 0.00 H ATOM 927 H GLY A 313 -5.510 29.633 20.409 1.00 0.00 H ATOM 928 N ASP A 314 -3.575 27.423 19.251 1.00 31.87 N ATOM 929 CA ASP A 314 -2.825 26.156 19.406 1.00 31.98 C ATOM 930 C ASP A 314 -3.722 25.072 19.994 1.00 30.07 C ATOM 931 O ASP A 314 -4.458 25.316 20.960 1.00 29.53 O ATOM 932 CB ASP A 314 -1.601 26.322 20.319 1.00 31.07 C ATOM 933 CG ASP A 314 -0.408 26.969 19.622 1.00 34.60 C ATOM 934 OD1 ASP A 314 -0.435 27.180 18.380 1.00 36.30 O ATOM 935 OD2 ASP A 314 0.575 27.269 20.338 1.00 36.62 O ATOM 936 HA ASP A 314 -2.486 25.868 18.411 1.00 0.00 H ATOM 937 HB2 ASP A 314 -1.885 26.944 21.168 1.00 0.00 H ATOM 938 HB3 ASP A 314 -1.300 25.337 20.676 1.00 0.00 H ATOM 939 H ASP A 314 -3.286 28.264 19.790 1.00 0.00 H ATOM 940 N ASP A 315 -3.639 23.872 19.423 1.00 29.44 N ATOM 941 CA ASP A 315 -4.371 22.721 19.913 1.00 29.76 C ATOM 942 C ASP A 315 -3.319 21.790 20.522 1.00 27.30 C ATOM 943 O ASP A 315 -2.463 21.293 19.787 1.00 23.71 O ATOM 944 CB ASP A 315 -5.079 22.027 18.742 1.00 34.62 C ATOM 945 CG ASP A 315 -5.900 20.806 19.165 1.00 39.60 C ATOM 946 OD1 ASP A 315 -5.724 20.261 20.288 1.00 42.02 O ATOM 947 OD2 ASP A 315 -6.744 20.387 18.341 1.00 45.58 O ATOM 948 HA ASP A 315 -5.130 22.998 20.644 1.00 0.00 H ATOM 949 HB2 ASP A 315 -5.747 22.745 18.267 1.00 0.00 H ATOM 950 HB3 ASP A 315 -4.325 21.705 18.024 1.00 0.00 H ATOM 951 H ASP A 315 -3.024 23.756 18.592 1.00 0.00 H ATOM 952 N PRO A 316 -3.355 21.595 21.861 1.00 25.14 N ATOM 953 CA PRO A 316 -2.359 20.751 22.518 1.00 23.15 C ATOM 954 C PRO A 316 -2.270 19.323 21.946 1.00 21.14 C ATOM 955 O PRO A 316 -1.175 18.744 21.907 1.00 20.60 O ATOM 956 CB PRO A 316 -2.807 20.763 23.986 1.00 25.00 C ATOM 957 CG PRO A 316 -3.428 22.133 24.150 1.00 24.17 C ATOM 958 CD PRO A 316 -4.184 22.334 22.847 1.00 26.31 C ATOM 959 HA PRO A 316 -1.347 21.128 22.368 1.00 0.00 H ATOM 960 HD3 PRO A 316 -5.188 21.914 22.908 1.00 0.00 H ATOM 961 HD2 PRO A 316 -4.249 23.391 22.590 1.00 0.00 H ATOM 962 HG3 PRO A 316 -2.661 22.897 24.278 1.00 0.00 H ATOM 963 HG2 PRO A 316 -4.107 22.155 25.003 1.00 0.00 H ATOM 964 HB2 PRO A 316 -3.538 19.977 24.178 1.00 0.00 H ATOM 965 HB3 PRO A 316 -1.956 20.637 24.655 1.00 0.00 H ATOM 966 N TRP A 317 -3.389 18.760 21.479 1.00 20.26 N ATOM 967 CA TRP A 317 -3.342 17.417 20.897 1.00 21.47 C ATOM 968 C TRP A 317 -2.583 17.392 19.601 1.00 21.61 C ATOM 969 O TRP A 317 -1.819 16.457 19.323 1.00 18.93 O ATOM 970 CB TRP A 317 -4.754 16.881 20.675 1.00 24.67 C ATOM 971 CG TRP A 317 -5.340 16.129 21.847 1.00 26.33 C ATOM 972 CD1 TRP A 317 -6.593 16.319 22.434 1.00 30.45 C ATOM 973 CD2 TRP A 317 -4.750 15.001 22.575 1.00 24.25 C ATOM 974 NE1 TRP A 317 -6.794 15.417 23.450 1.00 29.57 N ATOM 975 CE2 TRP A 317 -5.741 14.597 23.579 1.00 27.03 C ATOM 976 CE3 TRP A 317 -3.541 14.328 22.517 1.00 24.96 C ATOM 977 CZ2 TRP A 317 -5.504 13.556 24.468 1.00 25.20 C ATOM 978 CZ3 TRP A 317 -3.319 13.275 23.414 1.00 26.19 C ATOM 979 CH2 TRP A 317 -4.273 12.911 24.364 1.00 23.55 C ATOM 980 HA TRP A 317 -2.817 16.778 21.607 1.00 0.00 H ATOM 981 HB2 TRP A 317 -5.406 17.726 20.454 1.00 0.00 H ATOM 982 HB3 TRP A 317 -4.730 16.208 19.818 1.00 0.00 H ATOM 983 HE1 TRP A 317 -7.649 15.376 24.041 1.00 0.00 H ATOM 984 HD1 TRP A 317 -7.312 17.079 22.128 1.00 0.00 H ATOM 985 HZ2 TRP A 317 -6.245 13.258 25.210 1.00 0.00 H ATOM 986 HH2 TRP A 317 -4.048 12.094 25.049 1.00 0.00 H ATOM 987 HZ3 TRP A 317 -2.378 12.727 23.368 1.00 0.00 H ATOM 988 HE3 TRP A 317 -2.780 14.611 21.790 1.00 0.00 H ATOM 989 H TRP A 317 -4.291 19.275 21.529 1.00 0.00 H ATOM 990 N VAL A 318 -2.801 18.413 18.776 1.00 21.00 N ATOM 991 CA VAL A 318 -2.079 18.542 17.525 1.00 23.14 C ATOM 992 C VAL A 318 -0.582 18.721 17.798 1.00 23.15 C ATOM 993 O VAL A 318 0.244 18.062 17.157 1.00 24.19 O ATOM 994 CB VAL A 318 -2.631 19.708 16.674 1.00 25.66 C ATOM 995 CG1 VAL A 318 -1.731 19.988 15.480 1.00 28.77 C ATOM 996 CG2 VAL A 318 -4.042 19.374 16.209 1.00 25.22 C ATOM 997 HA VAL A 318 -2.222 17.626 16.951 1.00 0.00 H ATOM 998 HB VAL A 318 -2.656 20.608 17.289 1.00 0.00 H ATOM 999 HG11 VAL A 318 -0.734 20.254 15.832 1.00 0.00 H ATOM 1000 HG12 VAL A 318 -1.671 19.097 14.855 1.00 0.00 H ATOM 1001 HG13 VAL A 318 -2.145 20.813 14.900 1.00 0.00 H ATOM 1002 HG21 VAL A 318 -4.020 18.464 15.609 1.00 0.00 H ATOM 1003 HG22 VAL A 318 -4.683 19.222 17.077 1.00 0.00 H ATOM 1004 HG23 VAL A 318 -4.430 20.197 15.609 1.00 0.00 H ATOM 1005 H VAL A 318 -3.505 19.134 19.034 1.00 0.00 H ATOM 1006 N GLU A 319 -0.237 19.601 18.734 1.00 20.89 N ATOM 1007 CA GLU A 319 1.185 19.813 19.091 1.00 22.80 C ATOM 1008 C GLU A 319 1.839 18.523 19.612 1.00 20.64 C ATOM 1009 O GLU A 319 2.991 18.236 19.294 1.00 19.85 O ATOM 1010 CB GLU A 319 1.332 20.945 20.116 1.00 22.74 C ATOM 1011 CG GLU A 319 0.870 22.300 19.602 1.00 25.86 C ATOM 1012 CD GLU A 319 1.576 22.726 18.320 1.00 35.17 C ATOM 1013 OE1 GLU A 319 2.822 22.589 18.222 1.00 34.00 O ATOM 1014 OE2 GLU A 319 0.875 23.195 17.398 1.00 40.13 O ATOM 1015 HA GLU A 319 1.707 20.104 18.179 1.00 0.00 H ATOM 1016 HB2 GLU A 319 0.742 20.691 20.996 1.00 0.00 H ATOM 1017 HB3 GLU A 319 2.383 21.023 20.395 1.00 0.00 H ATOM 1018 HG2 GLU A 319 -0.202 22.251 19.408 1.00 0.00 H ATOM 1019 HG3 GLU A 319 1.065 23.048 20.371 1.00 0.00 H ATOM 1020 H GLU A 319 -0.975 20.147 19.222 1.00 0.00 H ATOM 1021 N HIS A 320 1.095 17.758 20.414 1.00 18.63 N ATOM 1022 CA HIS A 320 1.575 16.469 20.945 1.00 18.13 C ATOM 1023 C HIS A 320 1.958 15.528 19.816 1.00 19.53 C ATOM 1024 O HIS A 320 3.007 14.893 19.857 1.00 19.46 O ATOM 1025 CB HIS A 320 0.496 15.815 21.796 1.00 18.71 C ATOM 1026 CG HIS A 320 1.030 14.988 22.964 1.00 17.53 C ATOM 1027 ND1 HIS A 320 0.366 14.901 24.143 1.00 18.69 N ATOM 1028 CD2 HIS A 320 2.170 14.195 23.095 1.00 18.18 C ATOM 1029 CE1 HIS A 320 1.078 14.124 25.002 1.00 18.30 C ATOM 1030 NE2 HIS A 320 2.176 13.689 24.364 1.00 16.91 N ATOM 1031 HA HIS A 320 2.455 16.666 21.557 1.00 0.00 H ATOM 1032 HB2 HIS A 320 -0.144 16.600 22.198 1.00 0.00 H ATOM 1033 HB3 HIS A 320 -0.094 15.160 21.155 1.00 0.00 H ATOM 1034 HD2 HIS A 320 2.920 14.012 22.325 1.00 0.00 H ATOM 1035 HE1 HIS A 320 0.804 13.894 26.032 1.00 0.00 H ATOM 1036 H HIS A 320 0.142 18.083 20.674 1.00 0.00 H ATOM 1037 N ALA A 321 1.109 15.442 18.798 1.00 19.28 N ATOM 1038 CA ALA A 321 1.343 14.556 17.652 1.00 20.41 C ATOM 1039 C ALA A 321 2.421 15.076 16.701 1.00 21.07 C ATOM 1040 O ALA A 321 3.113 14.289 16.055 1.00 22.77 O ATOM 1041 CB ALA A 321 0.035 14.295 16.894 1.00 20.53 C ATOM 1042 HA ALA A 321 1.716 13.616 18.059 1.00 0.00 H ATOM 1043 HB1 ALA A 321 -0.684 13.824 17.564 1.00 0.00 H ATOM 1044 HB2 ALA A 321 -0.369 15.241 16.533 1.00 0.00 H ATOM 1045 HB3 ALA A 321 0.232 13.636 16.048 1.00 0.00 H ATOM 1046 H ALA A 321 0.247 16.024 18.814 1.00 0.00 H ATOM 1047 N LYS A 322 2.546 16.397 16.590 1.00 21.70 N ATOM 1048 CA LYS A 322 3.562 16.997 15.731 1.00 23.94 C ATOM 1049 C LYS A 322 4.989 16.697 16.230 1.00 23.79 C ATOM 1050 O LYS A 322 5.869 16.353 15.432 1.00 25.37 O ATOM 1051 CB LYS A 322 3.327 18.513 15.655 1.00 26.00 C ATOM 1052 CG LYS A 322 4.334 19.293 14.835 1.00 30.78 C ATOM 1053 CD LYS A 322 3.966 20.775 14.843 1.00 31.41 C ATOM 1054 CE LYS A 322 4.976 21.618 14.069 1.00 36.67 C ATOM 1055 NZ LYS A 322 4.625 23.072 14.096 1.00 36.45 N ATOM 1056 HA LYS A 322 3.474 16.558 14.737 1.00 0.00 H ATOM 1057 HB2 LYS A 322 2.341 18.678 15.221 1.00 0.00 H ATOM 1058 HB3 LYS A 322 3.345 18.907 16.671 1.00 0.00 H ATOM 1059 HG2 LYS A 322 5.328 19.164 15.263 1.00 0.00 H ATOM 1060 HG3 LYS A 322 4.330 18.924 13.809 1.00 0.00 H ATOM 1061 HD2 LYS A 322 2.983 20.897 14.388 1.00 0.00 H ATOM 1062 HD3 LYS A 322 3.933 21.124 15.875 1.00 0.00 H ATOM 1063 HE2 LYS A 322 4.998 21.279 13.033 1.00 0.00 H ATOM 1064 HE3 LYS A 322 5.962 21.485 14.514 1.00 0.00 H ATOM 1065 HZ1 LYS A 322 3.688 23.209 13.666 1.00 0.00 H ATOM 1066 HZ2 LYS A 322 4.608 23.405 15.081 1.00 0.00 H ATOM 1067 HZ3 LYS A 322 5.336 23.609 13.559 1.00 0.00 H ATOM 1068 H LYS A 322 1.905 17.015 17.128 1.00 0.00 H ATOM 1069 N TRP A 323 5.205 16.852 17.537 1.00 23.02 N ATOM 1070 CA TRP A 323 6.557 16.769 18.116 1.00 24.42 C ATOM 1071 C TRP A 323 6.904 15.458 18.758 1.00 22.44 C ATOM 1072 O TRP A 323 8.086 15.081 18.780 1.00 23.13 O ATOM 1073 CB TRP A 323 6.751 17.877 19.143 1.00 24.34 C ATOM 1074 CG TRP A 323 6.689 19.253 18.532 1.00 28.22 C ATOM 1075 CD1 TRP A 323 5.788 20.264 18.824 1.00 28.66 C ATOM 1076 CD2 TRP A 323 7.561 19.805 17.489 1.00 31.71 C ATOM 1077 NE1 TRP A 323 6.037 21.375 18.062 1.00 31.59 N ATOM 1078 CE2 TRP A 323 7.083 21.166 17.239 1.00 33.02 C ATOM 1079 CE3 TRP A 323 8.648 19.322 16.755 1.00 34.70 C ATOM 1080 CZ2 TRP A 323 7.692 22.001 16.306 1.00 38.67 C ATOM 1081 CZ3 TRP A 323 9.244 20.168 15.809 1.00 41.38 C ATOM 1082 CH2 TRP A 323 8.774 21.474 15.592 1.00 39.53 C ATOM 1083 HA TRP A 323 7.229 16.877 17.264 1.00 0.00 H ATOM 1084 HB2 TRP A 323 5.969 17.795 19.898 1.00 0.00 H ATOM 1085 HB3 TRP A 323 7.725 17.748 19.616 1.00 0.00 H ATOM 1086 HE1 TRP A 323 5.492 22.260 18.112 1.00 0.00 H ATOM 1087 HD1 TRP A 323 4.989 20.186 19.561 1.00 0.00 H ATOM 1088 HZ2 TRP A 323 7.342 23.020 16.139 1.00 0.00 H ATOM 1089 HH2 TRP A 323 9.267 22.096 14.845 1.00 0.00 H ATOM 1090 HZ3 TRP A 323 10.092 19.804 15.228 1.00 0.00 H ATOM 1091 HE3 TRP A 323 9.024 18.311 16.914 1.00 0.00 H ATOM 1092 H TRP A 323 4.397 17.037 18.165 1.00 0.00 H ATOM 1093 N PHE A 324 5.890 14.764 19.293 1.00 19.54 N ATOM 1094 CA PHE A 324 6.092 13.528 20.094 1.00 18.32 C ATOM 1095 C PHE A 324 5.191 12.399 19.609 1.00 17.74 C ATOM 1096 O PHE A 324 4.383 11.857 20.381 1.00 16.28 O ATOM 1097 CB PHE A 324 5.832 13.793 21.594 1.00 17.98 C ATOM 1098 CG PHE A 324 6.439 15.088 22.087 1.00 19.80 C ATOM 1099 CD1 PHE A 324 7.802 15.322 21.964 1.00 21.35 C ATOM 1100 CD2 PHE A 324 5.637 16.078 22.660 1.00 20.24 C ATOM 1101 CE1 PHE A 324 8.371 16.527 22.377 1.00 23.86 C ATOM 1102 CE2 PHE A 324 6.203 17.287 23.072 1.00 22.59 C ATOM 1103 CZ PHE A 324 7.560 17.503 22.944 1.00 22.80 C ATOM 1104 HA PHE A 324 7.130 13.224 19.962 1.00 0.00 H ATOM 1105 HB2 PHE A 324 4.755 13.831 21.757 1.00 0.00 H ATOM 1106 HB3 PHE A 324 6.256 12.970 22.170 1.00 0.00 H ATOM 1107 HD2 PHE A 324 4.568 15.907 22.786 1.00 0.00 H ATOM 1108 HE2 PHE A 324 5.569 18.065 23.497 1.00 0.00 H ATOM 1109 HZ PHE A 324 7.997 18.441 23.288 1.00 0.00 H ATOM 1110 HE1 PHE A 324 9.440 16.701 22.256 1.00 0.00 H ATOM 1111 HD1 PHE A 324 8.440 14.549 21.536 1.00 0.00 H ATOM 1112 H PHE A 324 4.919 15.105 19.141 1.00 0.00 H ATOM 1113 N PRO A 325 5.313 12.042 18.323 1.00 18.71 N ATOM 1114 CA PRO A 325 4.365 11.112 17.699 1.00 19.11 C ATOM 1115 C PRO A 325 4.367 9.676 18.260 1.00 19.77 C ATOM 1116 O PRO A 325 3.383 8.961 18.088 1.00 20.85 O ATOM 1117 CB PRO A 325 4.795 11.125 16.216 1.00 20.70 C ATOM 1118 CG PRO A 325 6.245 11.510 16.245 1.00 22.23 C ATOM 1119 CD PRO A 325 6.298 12.537 17.348 1.00 19.41 C ATOM 1120 HA PRO A 325 3.340 11.432 17.889 1.00 0.00 H ATOM 1121 HD3 PRO A 325 7.294 12.585 17.789 1.00 0.00 H ATOM 1122 HD2 PRO A 325 6.018 13.523 16.977 1.00 0.00 H ATOM 1123 HG3 PRO A 325 6.556 11.940 15.293 1.00 0.00 H ATOM 1124 HG2 PRO A 325 6.875 10.651 16.478 1.00 0.00 H ATOM 1125 HB2 PRO A 325 4.667 10.139 15.769 1.00 0.00 H ATOM 1126 HB3 PRO A 325 4.214 11.855 15.653 1.00 0.00 H ATOM 1127 N ARG A 326 5.449 9.264 18.925 1.00 19.02 N ATOM 1128 CA ARG A 326 5.508 7.890 19.459 1.00 21.43 C ATOM 1129 C ARG A 326 5.062 7.753 20.921 1.00 20.19 C ATOM 1130 O ARG A 326 5.213 6.689 21.525 1.00 20.97 O ATOM 1131 CB ARG A 326 6.904 7.332 19.240 1.00 23.52 C ATOM 1132 CG ARG A 326 7.260 7.291 17.759 1.00 27.47 C ATOM 1133 CD ARG A 326 8.466 6.415 17.496 1.00 29.80 C ATOM 1134 NE ARG A 326 8.826 6.411 16.077 1.00 34.52 N ATOM 1135 CZ ARG A 326 8.512 5.451 15.219 1.00 33.78 C ATOM 1136 NH1 ARG A 326 7.829 4.385 15.611 1.00 35.09 N ATOM 1137 NH2 ARG A 326 8.892 5.568 13.953 1.00 39.01 N ATOM 1138 HA ARG A 326 4.778 7.301 18.905 1.00 0.00 H ATOM 1139 HB2 ARG A 326 7.624 7.963 19.761 1.00 0.00 H ATOM 1140 HB3 ARG A 326 6.950 6.321 19.644 1.00 0.00 H ATOM 1141 HG2 ARG A 326 6.410 6.898 17.202 1.00 0.00 H ATOM 1142 HG3 ARG A 326 7.478 8.304 17.420 1.00 0.00 H ATOM 1143 HD2 ARG A 326 8.238 5.395 17.807 1.00 0.00 H ATOM 1144 HD3 ARG A 326 9.310 6.790 18.075 1.00 0.00 H ATOM 1145 HE ARG A 326 9.368 7.221 15.716 1.00 0.00 H ATOM 1146 HH12 ARG A 326 7.590 3.640 14.926 1.00 0.00 H ATOM 1147 HH11 ARG A 326 7.532 4.294 16.604 1.00 0.00 H ATOM 1148 HH22 ARG A 326 8.653 4.823 13.267 1.00 0.00 H ATOM 1149 HH21 ARG A 326 9.428 6.404 13.646 1.00 0.00 H ATOM 1150 H ARG A 326 6.250 9.912 19.067 1.00 0.00 H ATOM 1151 N CYS A 327 4.470 8.812 21.471 1.00 17.95 N ATOM 1152 CA CYS A 327 3.975 8.787 22.856 1.00 17.33 C ATOM 1153 C CYS A 327 2.829 7.763 22.987 1.00 18.03 C ATOM 1154 O CYS A 327 1.852 7.843 22.219 1.00 18.12 O ATOM 1155 CB CYS A 327 3.489 10.185 23.251 1.00 16.33 C ATOM 1156 SG CYS A 327 2.625 10.208 24.848 1.00 16.25 S ATOM 1157 HA CYS A 327 4.783 8.490 23.525 1.00 0.00 H ATOM 1158 HB2 CYS A 327 2.807 10.547 22.481 1.00 0.00 H ATOM 1159 HB3 CYS A 327 4.351 10.849 23.312 1.00 0.00 H ATOM 1160 HG CYS A 327 2.220 11.496 25.132 1.00 0.00 H ATOM 1161 H CYS A 327 4.355 9.678 20.907 1.00 0.00 H ATOM 1162 N GLU A 328 2.907 6.832 23.946 1.00 17.39 N ATOM 1163 CA GLU A 328 1.831 5.804 24.060 1.00 18.05 C ATOM 1164 C GLU A 328 0.474 6.394 24.464 1.00 16.05 C ATOM 1165 O GLU A 328 -0.555 5.932 23.991 1.00 15.05 O ATOM 1166 CB GLU A 328 2.204 4.622 24.984 1.00 20.66 C ATOM 1167 CG GLU A 328 1.104 3.548 25.037 1.00 25.59 C ATOM 1168 CD GLU A 328 1.427 2.320 25.881 1.00 32.49 C ATOM 1169 OE1 GLU A 328 1.044 2.305 27.078 1.00 30.62 O ATOM 1170 OE2 GLU A 328 2.035 1.361 25.338 1.00 34.45 O ATOM 1171 HA GLU A 328 1.731 5.406 23.050 1.00 0.00 H ATOM 1172 HB2 GLU A 328 3.122 4.165 24.615 1.00 0.00 H ATOM 1173 HB3 GLU A 328 2.369 5.004 25.991 1.00 0.00 H ATOM 1174 HG2 GLU A 328 0.204 4.008 25.444 1.00 0.00 H ATOM 1175 HG3 GLU A 328 0.911 3.214 24.018 1.00 0.00 H ATOM 1176 H GLU A 328 3.711 6.825 24.606 1.00 0.00 H ATOM 1177 N PHE A 329 0.492 7.422 25.315 1.00 16.41 N ATOM 1178 CA PHE A 329 -0.747 8.057 25.778 1.00 18.47 C ATOM 1179 C PHE A 329 -1.451 8.717 24.597 1.00 17.03 C ATOM 1180 O PHE A 329 -2.646 8.492 24.384 1.00 17.00 O ATOM 1181 CB PHE A 329 -0.477 9.077 26.878 1.00 18.24 C ATOM 1182 CG PHE A 329 -1.692 9.839 27.319 1.00 19.78 C ATOM 1183 CD1 PHE A 329 -2.679 9.215 28.104 1.00 23.14 C ATOM 1184 CD2 PHE A 329 -1.845 11.181 26.967 1.00 20.21 C ATOM 1185 CE1 PHE A 329 -3.783 9.925 28.541 1.00 22.84 C ATOM 1186 CE2 PHE A 329 -2.956 11.885 27.395 1.00 20.64 C ATOM 1187 CZ PHE A 329 -3.916 11.266 28.172 1.00 20.34 C ATOM 1188 HA PHE A 329 -1.391 7.287 26.202 1.00 0.00 H ATOM 1189 HB2 PHE A 329 -0.071 8.550 27.742 1.00 0.00 H ATOM 1190 HB3 PHE A 329 0.260 9.791 26.510 1.00 0.00 H ATOM 1191 HD2 PHE A 329 -1.089 11.674 26.355 1.00 0.00 H ATOM 1192 HE2 PHE A 329 -3.075 12.933 27.118 1.00 0.00 H ATOM 1193 HZ PHE A 329 -4.788 11.831 28.501 1.00 0.00 H ATOM 1194 HE1 PHE A 329 -4.538 9.445 29.164 1.00 0.00 H ATOM 1195 HD1 PHE A 329 -2.573 8.163 28.370 1.00 0.00 H ATOM 1196 H PHE A 329 1.406 7.781 25.658 1.00 0.00 H ATOM 1197 N LEU A 330 -0.691 9.479 23.819 1.00 17.03 N ATOM 1198 CA LEU A 330 -1.216 10.081 22.571 1.00 16.47 C ATOM 1199 C LEU A 330 -1.860 9.044 21.643 1.00 16.94 C ATOM 1200 O LEU A 330 -2.992 9.223 21.175 1.00 17.30 O ATOM 1201 CB LEU A 330 -0.071 10.780 21.834 1.00 16.46 C ATOM 1202 CG LEU A 330 -0.339 11.229 20.397 1.00 17.38 C ATOM 1203 CD1 LEU A 330 -1.360 12.373 20.315 1.00 18.59 C ATOM 1204 CD2 LEU A 330 0.981 11.671 19.770 1.00 17.83 C ATOM 1205 HA LEU A 330 -1.993 10.793 22.849 1.00 0.00 H ATOM 1206 HB2 LEU A 330 0.199 11.665 22.410 1.00 0.00 H ATOM 1207 HB3 LEU A 330 0.774 10.092 21.811 1.00 0.00 H ATOM 1208 HG LEU A 330 -0.766 10.385 19.855 1.00 0.00 H ATOM 1209 HD21 LEU A 330 1.397 12.498 20.346 1.00 0.00 H ATOM 1210 HD22 LEU A 330 1.681 10.836 19.774 1.00 0.00 H ATOM 1211 HD23 LEU A 330 0.804 11.994 18.744 1.00 0.00 H ATOM 1212 HD11 LEU A 330 -2.306 12.045 20.745 1.00 0.00 H ATOM 1213 HD12 LEU A 330 -0.985 13.233 20.870 1.00 0.00 H ATOM 1214 HD13 LEU A 330 -1.510 12.650 19.272 1.00 0.00 H ATOM 1215 H LEU A 330 0.296 9.658 24.092 1.00 0.00 H ATOM 1216 N ILE A 331 -1.131 7.966 21.366 1.00 17.09 N ATOM 1217 CA ILE A 331 -1.612 6.934 20.442 1.00 17.38 C ATOM 1218 C ILE A 331 -2.902 6.295 20.979 1.00 18.14 C ATOM 1219 O ILE A 331 -3.860 6.109 20.211 1.00 19.10 O ATOM 1220 CB ILE A 331 -0.515 5.885 20.132 1.00 17.88 C ATOM 1221 CG1 ILE A 331 0.596 6.532 19.300 1.00 20.41 C ATOM 1222 CG2 ILE A 331 -1.092 4.659 19.427 1.00 19.68 C ATOM 1223 CD1 ILE A 331 1.958 5.866 19.468 1.00 21.89 C ATOM 1224 HA ILE A 331 -1.852 7.409 19.491 1.00 0.00 H ATOM 1225 HB ILE A 331 -0.093 5.537 21.075 1.00 0.00 H ATOM 1226 HG12 ILE A 331 0.314 6.478 18.248 1.00 0.00 H ATOM 1227 HG13 ILE A 331 0.685 7.577 19.598 1.00 0.00 H ATOM 1228 HD11 ILE A 331 2.262 5.921 20.513 1.00 0.00 H ATOM 1229 HD12 ILE A 331 1.891 4.822 19.163 1.00 0.00 H ATOM 1230 HD13 ILE A 331 2.692 6.381 18.847 1.00 0.00 H ATOM 1231 HG21 ILE A 331 -1.843 4.194 20.066 1.00 0.00 H ATOM 1232 HG22 ILE A 331 -1.552 4.965 18.487 1.00 0.00 H ATOM 1233 HG23 ILE A 331 -0.292 3.947 19.227 1.00 0.00 H ATOM 1234 H ILE A 331 -0.200 7.853 21.815 1.00 0.00 H ATOM 1235 N ARG A 332 -2.943 5.958 22.271 1.00 16.80 N ATOM 1236 CA ARG A 332 -4.137 5.306 22.806 1.00 19.05 C ATOM 1237 C ARG A 332 -5.352 6.250 22.894 1.00 19.01 C ATOM 1238 O ARG A 332 -6.511 5.815 22.757 1.00 20.58 O ATOM 1239 CB ARG A 332 -3.849 4.636 24.162 1.00 20.21 C ATOM 1240 CG ARG A 332 -2.806 3.533 24.037 1.00 21.91 C ATOM 1241 CD ARG A 332 -2.607 2.799 25.366 1.00 25.02 C ATOM 1242 NE ARG A 332 -3.675 1.835 25.588 1.00 28.59 N ATOM 1243 CZ ARG A 332 -4.746 2.023 26.359 1.00 33.02 C ATOM 1244 NH1 ARG A 332 -4.915 3.156 27.049 1.00 35.25 N ATOM 1245 NH2 ARG A 332 -5.649 1.050 26.456 1.00 36.72 N ATOM 1246 HA ARG A 332 -4.406 4.528 22.092 1.00 0.00 H ATOM 1247 HB2 ARG A 332 -3.483 5.391 24.858 1.00 0.00 H ATOM 1248 HB3 ARG A 332 -4.774 4.206 24.547 1.00 0.00 H ATOM 1249 HG2 ARG A 332 -3.134 2.818 23.282 1.00 0.00 H ATOM 1250 HG3 ARG A 332 -1.858 3.974 23.730 1.00 0.00 H ATOM 1251 HD2 ARG A 332 -2.606 3.525 26.179 1.00 0.00 H ATOM 1252 HD3 ARG A 332 -1.651 2.276 25.346 1.00 0.00 H ATOM 1253 HE ARG A 332 -3.595 0.919 25.102 1.00 0.00 H ATOM 1254 HH12 ARG A 332 -5.758 3.281 27.644 1.00 0.00 H ATOM 1255 HH11 ARG A 332 -4.203 3.912 26.990 1.00 0.00 H ATOM 1256 HH22 ARG A 332 -6.491 1.179 27.053 1.00 0.00 H ATOM 1257 HH21 ARG A 332 -5.513 0.160 25.935 1.00 0.00 H ATOM 1258 H ARG A 332 -2.132 6.158 22.891 1.00 0.00 H ATOM 1259 N MET A 333 -5.102 7.535 23.090 1.00 18.02 N ATOM 1260 CA MET A 333 -6.223 8.480 23.233 1.00 20.01 C ATOM 1261 C MET A 333 -6.773 8.921 21.893 1.00 19.92 C ATOM 1262 O MET A 333 -7.973 9.059 21.727 1.00 20.86 O ATOM 1263 CB MET A 333 -5.816 9.708 24.065 1.00 20.53 C ATOM 1264 CG MET A 333 -5.573 9.409 25.545 1.00 22.84 C ATOM 1265 SD MET A 333 -7.014 8.759 26.440 1.00 30.20 S ATOM 1266 CE MET A 333 -8.386 9.608 25.648 1.00 36.17 C ATOM 1267 HA MET A 333 -7.013 7.945 23.760 1.00 0.00 H ATOM 1268 HB2 MET A 333 -4.898 10.118 23.643 1.00 0.00 H ATOM 1269 HB3 MET A 333 -6.611 10.450 23.992 1.00 0.00 H ATOM 1270 HG2 MET A 333 -5.261 10.333 26.031 1.00 0.00 H ATOM 1271 HG3 MET A 333 -4.771 8.674 25.615 1.00 0.00 H ATOM 1272 HE1 MET A 333 -8.264 10.684 25.769 1.00 0.00 H ATOM 1273 HE2 MET A 333 -8.401 9.360 24.587 1.00 0.00 H ATOM 1274 HE3 MET A 333 -9.322 9.293 26.110 1.00 0.00 H ATOM 1275 H MET A 333 -4.121 7.875 23.143 1.00 0.00 H ATOM 1276 N LYS A 334 -5.884 9.166 20.942 1.00 19.22 N ATOM 1277 CA LYS A 334 -6.289 9.783 19.670 1.00 20.59 C ATOM 1278 C LYS A 334 -6.216 8.819 18.507 1.00 18.96 C ATOM 1279 O LYS A 334 -6.866 9.035 17.487 1.00 20.17 O ATOM 1280 CB LYS A 334 -5.405 10.989 19.381 1.00 21.24 C ATOM 1281 CG LYS A 334 -5.534 12.091 20.431 1.00 23.75 C ATOM 1282 CD LYS A 334 -6.926 12.730 20.420 1.00 29.14 C ATOM 1283 CE LYS A 334 -7.136 13.563 19.165 1.00 34.99 C ATOM 1284 NZ LYS A 334 -8.365 14.394 19.244 1.00 40.43 N ATOM 1285 HA LYS A 334 -7.330 10.088 19.778 1.00 0.00 H ATOM 1286 HB2 LYS A 334 -4.367 10.659 19.350 1.00 0.00 H ATOM 1287 HB3 LYS A 334 -5.684 11.400 18.411 1.00 0.00 H ATOM 1288 HG2 LYS A 334 -5.350 11.663 21.416 1.00 0.00 H ATOM 1289 HG3 LYS A 334 -4.791 12.862 20.227 1.00 0.00 H ATOM 1290 HD2 LYS A 334 -7.680 11.943 20.456 1.00 0.00 H ATOM 1291 HD3 LYS A 334 -7.031 13.371 21.295 1.00 0.00 H ATOM 1292 HE2 LYS A 334 -7.218 12.894 18.309 1.00 0.00 H ATOM 1293 HE3 LYS A 334 -6.276 14.219 19.030 1.00 0.00 H ATOM 1294 HZ1 LYS A 334 -9.193 13.776 19.365 1.00 0.00 H ATOM 1295 HZ2 LYS A 334 -8.293 15.042 20.055 1.00 0.00 H ATOM 1296 HZ3 LYS A 334 -8.467 14.944 18.367 1.00 0.00 H ATOM 1297 H LYS A 334 -4.886 8.919 21.097 1.00 0.00 H ATOM 1298 N GLY A 335 -5.396 7.789 18.648 1.00 17.80 N ATOM 1299 CA GLY A 335 -5.230 6.760 17.607 1.00 18.76 C ATOM 1300 C GLY A 335 -4.066 7.023 16.659 1.00 19.54 C ATOM 1301 O GLY A 335 -3.695 8.177 16.407 1.00 20.49 O ATOM 1302 HA3 GLY A 335 -6.147 6.714 17.020 1.00 0.00 H ATOM 1303 HA2 GLY A 335 -5.065 5.800 18.096 1.00 0.00 H ATOM 1304 H GLY A 335 -4.848 7.703 19.528 1.00 0.00 H ATOM 1305 N GLN A 336 -3.479 5.952 16.134 1.00 19.87 N ATOM 1306 CA GLN A 336 -2.386 6.087 15.178 1.00 21.44 C ATOM 1307 C GLN A 336 -2.826 6.830 13.893 1.00 22.88 C ATOM 1308 O GLN A 336 -2.010 7.511 13.258 1.00 22.69 O ATOM 1309 CB GLN A 336 -1.839 4.697 14.824 1.00 24.29 C ATOM 1310 CG GLN A 336 -0.529 4.722 14.050 1.00 26.24 C ATOM 1311 CD GLN A 336 0.593 5.278 14.905 1.00 27.80 C ATOM 1312 OE1 GLN A 336 0.870 4.761 15.988 1.00 29.75 O ATOM 1313 NE2 GLN A 336 1.218 6.348 14.447 1.00 28.09 N ATOM 1314 HA GLN A 336 -1.604 6.685 15.646 1.00 0.00 H ATOM 1315 HB2 GLN A 336 -1.679 4.146 15.751 1.00 0.00 H ATOM 1316 HB3 GLN A 336 -2.584 4.180 14.219 1.00 0.00 H ATOM 1317 HG2 GLN A 336 -0.276 3.707 13.744 1.00 0.00 H ATOM 1318 HG3 GLN A 336 -0.648 5.348 13.166 1.00 0.00 H ATOM 1319 HE22 GLN A 336 0.951 6.752 13.526 1.00 0.00 H ATOM 1320 HE21 GLN A 336 1.977 6.787 15.007 1.00 0.00 H ATOM 1321 H GLN A 336 -3.804 5.003 16.409 1.00 0.00 H ATOM 1322 N GLU A 337 -4.091 6.669 13.487 1.00 23.11 N ATOM 1323 CA GLU A 337 -4.600 7.394 12.302 1.00 25.42 C ATOM 1324 C GLU A 337 -4.490 8.924 12.465 1.00 25.41 C ATOM 1325 O GLU A 337 -4.068 9.630 11.534 1.00 26.74 O ATOM 1326 CB GLU A 337 -6.061 6.995 12.007 1.00 28.74 C ATOM 1327 CG GLU A 337 -6.706 7.683 10.796 1.00 33.65 C ATOM 1328 CD GLU A 337 -8.222 7.487 10.698 1.00 37.73 C ATOM 1329 OE1 GLU A 337 -8.829 8.025 9.747 1.00 41.11 O ATOM 1330 OE2 GLU A 337 -8.829 6.806 11.560 1.00 38.22 O ATOM 1331 HA GLU A 337 -3.973 7.107 11.458 1.00 0.00 H ATOM 1332 HB2 GLU A 337 -6.087 5.919 11.834 1.00 0.00 H ATOM 1333 HB3 GLU A 337 -6.658 7.235 12.887 1.00 0.00 H ATOM 1334 HG2 GLU A 337 -6.502 8.752 10.861 1.00 0.00 H ATOM 1335 HG3 GLU A 337 -6.250 7.282 9.891 1.00 0.00 H ATOM 1336 H GLU A 337 -4.722 6.028 14.009 1.00 0.00 H ATOM 1337 N PHE A 338 -4.844 9.427 13.642 1.00 22.25 N ATOM 1338 CA PHE A 338 -4.675 10.848 13.966 1.00 22.94 C ATOM 1339 C PHE A 338 -3.207 11.277 13.916 1.00 22.64 C ATOM 1340 O PHE A 338 -2.859 12.286 13.308 1.00 22.49 O ATOM 1341 CB PHE A 338 -5.258 11.164 15.347 1.00 22.35 C ATOM 1342 CG PHE A 338 -5.000 12.574 15.818 1.00 22.23 C ATOM 1343 CD1 PHE A 338 -5.784 13.628 15.371 1.00 25.17 C ATOM 1344 CD2 PHE A 338 -3.984 12.845 16.732 1.00 21.04 C ATOM 1345 CE1 PHE A 338 -5.547 14.924 15.816 1.00 24.28 C ATOM 1346 CE2 PHE A 338 -3.741 14.142 17.174 1.00 21.66 C ATOM 1347 CZ PHE A 338 -4.526 15.187 16.716 1.00 23.14 C ATOM 1348 HA PHE A 338 -5.218 11.412 13.207 1.00 0.00 H ATOM 1349 HB2 PHE A 338 -6.336 11.008 15.307 1.00 0.00 H ATOM 1350 HB3 PHE A 338 -4.819 10.476 16.070 1.00 0.00 H ATOM 1351 HD2 PHE A 338 -3.369 12.027 17.107 1.00 0.00 H ATOM 1352 HE2 PHE A 338 -2.933 14.335 17.880 1.00 0.00 H ATOM 1353 HZ PHE A 338 -4.343 16.205 17.059 1.00 0.00 H ATOM 1354 HE1 PHE A 338 -6.170 15.741 15.453 1.00 0.00 H ATOM 1355 HD1 PHE A 338 -6.593 13.438 14.665 1.00 0.00 H ATOM 1356 H PHE A 338 -5.254 8.793 14.357 1.00 0.00 H ATOM 1357 N VAL A 339 -2.348 10.506 14.576 1.00 20.42 N ATOM 1358 CA VAL A 339 -0.930 10.842 14.613 1.00 20.88 C ATOM 1359 C VAL A 339 -0.371 10.858 13.182 1.00 23.83 C ATOM 1360 O VAL A 339 0.334 11.798 12.799 1.00 26.66 O ATOM 1361 CB VAL A 339 -0.158 9.889 15.536 1.00 19.81 C ATOM 1362 CG1 VAL A 339 1.323 10.231 15.529 1.00 21.86 C ATOM 1363 CG2 VAL A 339 -0.685 10.034 16.966 1.00 19.77 C ATOM 1364 HA VAL A 339 -0.804 11.839 15.035 1.00 0.00 H ATOM 1365 HB VAL A 339 -0.296 8.868 15.180 1.00 0.00 H ATOM 1366 HG11 VAL A 339 1.711 10.137 14.515 1.00 0.00 H ATOM 1367 HG12 VAL A 339 1.460 11.254 15.879 1.00 0.00 H ATOM 1368 HG13 VAL A 339 1.856 9.546 16.188 1.00 0.00 H ATOM 1369 HG21 VAL A 339 -0.545 11.062 17.301 1.00 0.00 H ATOM 1370 HG22 VAL A 339 -1.746 9.785 16.988 1.00 0.00 H ATOM 1371 HG23 VAL A 339 -0.138 9.358 17.624 1.00 0.00 H ATOM 1372 H VAL A 339 -2.690 9.657 15.069 1.00 0.00 H ATOM 1373 N ASP A 340 -0.732 9.858 12.384 1.00 24.96 N ATOM 1374 CA ASP A 340 -0.249 9.783 11.005 1.00 28.28 C ATOM 1375 C ASP A 340 -0.695 10.983 10.181 1.00 29.45 C ATOM 1376 O ASP A 340 0.062 11.463 9.332 1.00 31.31 O ATOM 1377 CB ASP A 340 -0.725 8.500 10.312 1.00 31.15 C ATOM 1378 CG ASP A 340 -0.014 7.251 10.817 1.00 33.60 C ATOM 1379 OD1 ASP A 340 0.981 7.367 11.570 1.00 35.85 O ATOM 1380 OD2 ASP A 340 -0.465 6.141 10.463 1.00 37.53 O ATOM 1381 HA ASP A 340 0.839 9.779 11.064 1.00 0.00 H ATOM 1382 HB2 ASP A 340 -1.795 8.386 10.488 1.00 0.00 H ATOM 1383 HB3 ASP A 340 -0.542 8.595 9.242 1.00 0.00 H ATOM 1384 H ASP A 340 -1.367 9.118 12.745 1.00 0.00 H ATOM 1385 N GLU A 341 -1.924 11.447 10.412 1.00 28.67 N ATOM 1386 CA GLU A 341 -2.470 12.608 9.691 1.00 32.93 C ATOM 1387 C GLU A 341 -1.686 13.895 10.023 1.00 31.52 C ATOM 1388 O GLU A 341 -1.336 14.667 9.127 1.00 32.97 O ATOM 1389 CB GLU A 341 -3.951 12.771 10.027 1.00 38.42 C ATOM 1390 CG GLU A 341 -4.595 14.053 9.528 1.00 51.06 C ATOM 1391 CD GLU A 341 -5.996 14.247 10.083 1.00 64.74 C ATOM 1392 OE1 GLU A 341 -6.159 15.039 11.046 1.00 73.21 O ATOM 1393 OE2 GLU A 341 -6.934 13.594 9.565 1.00 73.03 O ATOM 1394 HA GLU A 341 -2.365 12.432 8.620 1.00 0.00 H ATOM 1395 HB2 GLU A 341 -4.490 11.931 9.589 1.00 0.00 H ATOM 1396 HB3 GLU A 341 -4.055 12.742 11.112 1.00 0.00 H ATOM 1397 HG2 GLU A 341 -3.977 14.898 9.832 1.00 0.00 H ATOM 1398 HG3 GLU A 341 -4.650 14.018 8.440 1.00 0.00 H ATOM 1399 H GLU A 341 -2.515 10.973 11.124 1.00 0.00 H ATOM 1400 N ILE A 342 -1.430 14.118 11.307 1.00 27.03 N ATOM 1401 CA ILE A 342 -0.676 15.297 11.756 1.00 27.53 C ATOM 1402 C ILE A 342 0.753 15.236 11.223 1.00 28.71 C ATOM 1403 O ILE A 342 1.255 16.225 10.665 1.00 31.21 O ATOM 1404 CB ILE A 342 -0.682 15.452 13.294 1.00 25.21 C ATOM 1405 CG1 ILE A 342 -2.118 15.641 13.837 1.00 25.68 C ATOM 1406 CG2 ILE A 342 0.208 16.622 13.727 1.00 24.39 C ATOM 1407 CD1 ILE A 342 -2.903 16.798 13.223 1.00 29.50 C ATOM 1408 HA ILE A 342 -1.174 16.178 11.352 1.00 0.00 H ATOM 1409 HB ILE A 342 -0.279 14.532 13.717 1.00 0.00 H ATOM 1410 HG12 ILE A 342 -2.672 14.721 13.650 1.00 0.00 H ATOM 1411 HG13 ILE A 342 -2.052 15.812 14.912 1.00 0.00 H ATOM 1412 HD11 ILE A 342 -2.376 17.733 13.411 1.00 0.00 H ATOM 1413 HD12 ILE A 342 -2.997 16.642 12.148 1.00 0.00 H ATOM 1414 HD13 ILE A 342 -3.895 16.842 13.673 1.00 0.00 H ATOM 1415 HG21 ILE A 342 1.231 16.441 13.396 1.00 0.00 H ATOM 1416 HG22 ILE A 342 -0.163 17.544 13.279 1.00 0.00 H ATOM 1417 HG23 ILE A 342 0.187 16.710 14.813 1.00 0.00 H ATOM 1418 H ILE A 342 -1.773 13.438 12.016 1.00 0.00 H ATOM 1419 N GLN A 343 1.385 14.070 11.366 1.00 26.62 N ATOM 1420 CA GLN A 343 2.741 13.843 10.861 1.00 29.21 C ATOM 1421 C GLN A 343 2.859 14.078 9.363 1.00 33.98 C ATOM 1422 O GLN A 343 3.885 14.590 8.907 1.00 36.89 O ATOM 1423 CB GLN A 343 3.250 12.452 11.232 1.00 28.87 C ATOM 1424 CG GLN A 343 3.695 12.350 12.692 1.00 27.67 C ATOM 1425 CD GLN A 343 4.974 13.125 12.964 1.00 31.01 C ATOM 1426 OE1 GLN A 343 5.978 12.955 12.262 1.00 33.95 O ATOM 1427 NE2 GLN A 343 4.942 13.982 13.970 1.00 29.08 N ATOM 1428 HA GLN A 343 3.375 14.583 11.350 1.00 0.00 H ATOM 1429 HB2 GLN A 343 2.450 11.732 11.061 1.00 0.00 H ATOM 1430 HB3 GLN A 343 4.098 12.210 10.592 1.00 0.00 H ATOM 1431 HG2 GLN A 343 2.903 12.746 13.328 1.00 0.00 H ATOM 1432 HG3 GLN A 343 3.863 11.301 12.934 1.00 0.00 H ATOM 1433 HE22 GLN A 343 4.074 14.091 14.533 1.00 0.00 H ATOM 1434 HE21 GLN A 343 5.785 14.547 14.199 1.00 0.00 H ATOM 1435 H GLN A 343 0.896 13.293 11.855 1.00 0.00 H ATOM 1436 N GLY A 344 1.802 13.737 8.623 1.00 34.87 N ATOM 1437 CA GLY A 344 1.766 13.892 7.167 1.00 41.38 C ATOM 1438 C GLY A 344 1.684 15.329 6.682 1.00 45.06 C ATOM 1439 O GLY A 344 1.849 15.588 5.491 1.00 50.00 O ATOM 1440 HA3 GLY A 344 0.895 13.356 6.790 1.00 0.00 H ATOM 1441 HA2 GLY A 344 2.671 13.446 6.756 1.00 0.00 H ATOM 1442 H GLY A 344 0.967 13.344 9.102 1.00 0.00 H ATOM 1443 N ARG A 345 1.424 16.262 7.595 1.00 45.71 N ATOM 1444 CA ARG A 345 1.529 17.700 7.303 1.00 52.48 C ATOM 1445 C ARG A 345 2.985 18.195 7.238 1.00 58.51 C ATOM 1446 O ARG A 345 3.246 19.312 6.767 1.00 61.29 O ATOM 1447 CB ARG A 345 0.760 18.524 8.340 1.00 50.70 C ATOM 1448 CG ARG A 345 -0.707 18.160 8.458 1.00 51.68 C ATOM 1449 CD ARG A 345 -1.381 18.883 9.613 1.00 52.21 C ATOM 1450 NE ARG A 345 -2.791 18.501 9.678 1.00 55.86 N ATOM 1451 CZ ARG A 345 -3.688 19.003 10.524 1.00 52.90 C ATOM 1452 NH1 ARG A 345 -4.939 18.564 10.475 1.00 56.86 N ATOM 1453 NH2 ARG A 345 -3.349 19.923 11.416 1.00 49.00 N ATOM 1454 HA ARG A 345 1.088 17.840 6.316 1.00 0.00 H ATOM 1455 HB2 ARG A 345 1.229 18.374 9.312 1.00 0.00 H ATOM 1456 HB3 ARG A 345 0.830 19.576 8.062 1.00 0.00 H ATOM 1457 HG2 ARG A 345 -1.213 18.429 7.531 1.00 0.00 H ATOM 1458 HG3 ARG A 345 -0.792 17.085 8.618 1.00 0.00 H ATOM 1459 HD2 ARG A 345 -1.304 19.960 9.462 1.00 0.00 H ATOM 1460 HD3 ARG A 345 -0.889 18.612 10.547 1.00 0.00 H ATOM 1461 HE ARG A 345 -3.120 17.777 9.008 1.00 0.00 H ATOM 1462 HH12 ARG A 345 -5.651 18.947 11.130 1.00 0.00 H ATOM 1463 HH11 ARG A 345 -5.208 17.837 9.782 1.00 0.00 H ATOM 1464 HH22 ARG A 345 -4.064 20.303 12.068 1.00 0.00 H ATOM 1465 HH21 ARG A 345 -2.368 20.265 11.463 1.00 0.00 H ATOM 1466 H ARG A 345 1.136 15.964 8.549 1.00 0.00 H ATOM 1467 N TYR A 346 3.923 17.371 7.712 1.00 60.03 N ATOM 1468 CA TYR A 346 5.344 17.747 7.794 1.00 64.13 C ATOM 1469 C TYR A 346 6.277 16.651 7.277 1.00 65.55 C ATOM 1470 O TYR A 346 6.048 16.067 6.219 1.00 65.10 O ATOM 1471 CB TYR A 346 5.718 18.106 9.235 1.00 61.96 C ATOM 1472 CG TYR A 346 4.761 19.081 9.883 1.00 61.52 C ATOM 1473 CD1 TYR A 346 4.927 20.459 9.723 1.00 62.83 C ATOM 1474 CD2 TYR A 346 3.679 18.625 10.651 1.00 57.08 C ATOM 1475 CE1 TYR A 346 4.047 21.355 10.308 1.00 61.90 C ATOM 1476 CE2 TYR A 346 2.791 19.516 11.234 1.00 54.67 C ATOM 1477 CZ TYR A 346 2.981 20.877 11.060 1.00 59.51 C ATOM 1478 OH TYR A 346 2.111 21.771 11.638 1.00 59.61 O ATOM 1479 HA TYR A 346 5.475 18.616 7.149 1.00 0.00 H ATOM 1480 HB3 TYR A 346 6.714 18.550 9.233 1.00 0.00 H ATOM 1481 HB2 TYR A 346 5.731 17.190 9.826 1.00 0.00 H ATOM 1482 HD2 TYR A 346 3.534 17.554 10.791 1.00 0.00 H ATOM 1483 HE2 TYR A 346 1.951 19.149 11.824 1.00 0.00 H ATOM 1484 HE1 TYR A 346 4.190 22.428 10.179 1.00 0.00 H ATOM 1485 HD1 TYR A 346 5.761 20.834 9.130 1.00 0.00 H ATOM 1486 HH TYR A 346 1.197 21.610 11.293 1.00 0.00 H ATOM 1487 H TYR A 346 3.638 16.425 8.036 1.00 0.00 H TER 1488 TYR A 346 HETATM 1489 ZN ZN A 1 3.237 12.349 25.483 1.00 17.25 ZN HETATM 1490 O HOH 2 -2.065 11.063 39.130 1.00 30.17 O HETATM 1491 O HOH 3 -9.206 25.433 32.357 1.00 22.28 O HETATM 1492 O HOH 4 -7.813 12.737 27.774 1.00 45.16 O HETATM 1493 O HOH 5 6.869 13.911 32.568 1.00 21.15 O HETATM 1494 O HOH 6 0.950 25.927 39.736 1.00 27.64 O HETATM 1495 O HOH 7 -8.791 12.514 37.124 1.00 31.56 O HETATM 1496 O HOH 8 -7.740 10.451 34.576 1.00 26.99 O HETATM 1497 O HOH 9 11.337 24.225 32.195 1.00 28.33 O HETATM 1498 O HOH 10 -4.338 30.787 30.904 1.00 30.53 O HETATM 1499 O HOH 11 -6.060 35.419 23.074 1.00 32.01 O HETATM 1500 O HOH 12 -2.917 5.363 28.074 1.00 36.02 O HETATM 1501 O HOH 13 3.466 7.087 16.217 1.00 31.10 O HETATM 1502 O HOH 14 7.149 2.592 13.192 1.00 37.23 O HETATM 1503 O HOH 15 -6.004 12.048 41.087 1.00 40.41 O HETATM 1504 O HOH 16 -7.735 18.475 40.511 1.00 32.77 O HETATM 1505 O HOH 17 -5.531 10.811 32.022 1.00 34.14 O HETATM 1506 O HOH 18 -5.326 28.895 36.677 1.00 45.71 O HETATM 1507 O HOH 19 -8.896 11.080 17.347 1.00 36.26 O HETATM 1508 O HOH 20 -3.945 9.007 8.921 1.00 37.70 O HETATM 1509 O HOH 21 8.332 21.399 38.699 1.00 38.32 O HETATM 1510 O HOH 22 11.189 21.162 32.579 1.00 24.98 O HETATM 1511 O HOH 23 2.232 31.826 25.752 1.00 32.24 O HETATM 1512 O HOH 24 -0.142 5.580 28.843 1.00 57.09 O HETATM 1513 O HOH 25 -6.779 32.922 30.458 1.00 35.45 O HETATM 1514 O HOH 26 -6.938 8.057 14.984 1.00 26.69 O HETATM 1515 O HOH 27 -1.785 23.565 17.220 1.00 36.71 O HETATM 1516 O HOH 28 -3.495 7.949 32.663 1.00 41.68 O HETATM 1517 O HOH 29 7.394 8.698 38.320 1.00 34.54 O HETATM 1518 O HOH 30 -1.145 34.287 20.761 1.00 37.63 O HETATM 1519 O HOH 31 -6.393 29.959 22.266 1.00 37.93 O HETATM 1520 O HOH 32 8.616 34.043 33.807 1.00 43.93 O HETATM 1521 O HOH 33 5.752 10.265 40.337 1.00 33.70 O HETATM 1522 O HOH 34 -6.917 19.093 24.574 1.00 34.14 O HETATM 1523 O HOH 35 10.830 16.248 19.208 1.00 43.09 O HETATM 1524 O HOH 36 2.883 15.398 42.669 1.00 44.58 O HETATM 1525 O HOH 37 -6.217 30.350 32.542 1.00 39.91 O HETATM 1526 O HOH 38 10.914 18.186 25.039 1.00 38.75 O HETATM 1527 O HOH 39 4.248 22.862 39.519 1.00 49.44 O HETATM 1528 O HOH 40 8.146 14.608 14.864 1.00 41.24 O HETATM 1529 O HOH 41 -2.915 35.857 22.633 1.00 52.11 O HETATM 1530 O HOH 42 9.178 13.065 35.668 1.00 47.77 O HETATM 1531 O HOH 43 -2.453 32.431 37.862 1.00 46.57 O HETATM 1532 O HOH 44 3.770 4.454 16.523 1.00 40.31 O HETATM 1533 O HOH 45 -7.553 17.619 18.000 1.00 48.19 O HETATM 1534 O HOH 46 -10.639 19.397 26.981 1.00 46.53 O HETATM 1535 O HOH 47 2.414 10.210 8.073 1.00 45.89 O HETATM 1536 O HOH 48 5.736 8.317 13.804 1.00 48.26 O HETATM 1537 O HOH 49 -11.307 13.244 33.486 1.00 50.92 O HETATM 1538 O HOH 50 4.614 9.103 9.723 1.00 48.02 O HETATM 1539 O HOH 51 13.119 21.873 21.475 1.00 44.82 O HETATM 1540 O HOH 52 12.841 14.268 28.527 1.00 41.17 O HETATM 1541 O HOH 53 -11.309 19.359 34.686 1.00 47.64 O HETATM 1542 O HOH 54 4.899 23.718 16.663 1.00 45.88 O HETATM 1543 O HOH 55 -2.110 9.884 6.650 1.00 52.83 O HETATM 1544 O HOH 56 5.899 15.824 39.579 1.00 45.85 O HETATM 1545 O HOH 57 4.948 20.140 38.216 1.00 41.68 O HETATM 1546 O HOH 58 -9.395 17.502 24.672 1.00 43.39 O HETATM 1547 O HOH 59 12.561 28.679 23.916 1.00 57.93 O HETATM 1548 O HOH 60 11.880 16.774 27.269 1.00 54.98 O HETATM 1549 O HOH 61 -1.877 14.547 6.473 1.00 45.72 O HETATM 1550 O HOH 62 -3.478 6.663 39.682 1.00 45.58 O HETATM 1551 O HOH 63 0.400 2.574 36.143 1.00 51.89 O HETATM 1552 O HOH 64 10.434 15.296 34.010 1.00 53.63 O HETATM 1553 O HOH 65 12.406 18.073 22.833 1.00 46.50 O HETATM 1554 O HOH 66 10.139 6.483 30.655 1.00 49.68 O HETATM 1555 O HOH 67 14.518 24.638 28.596 1.00 50.09 O HETATM 1556 O HOH 68 11.680 10.560 28.431 1.00 42.84 O HETATM 1557 O HOH 69 3.250 8.698 12.005 1.00 51.78 O HETATM 1558 O HOH 70 3.721 8.487 42.386 1.00 59.10 O HETATM 1559 O HOH 71 5.048 4.032 21.210 1.00 40.40 O HETATM 1560 O HOH 72 -8.462 28.493 24.735 1.00 45.78 O HETATM 1561 O HOH 73 -7.196 13.542 30.515 1.00 44.87 O HETATM 1562 O HOH 74 11.845 10.680 31.862 1.00 53.93 O HETATM 1563 O HOH 75 10.748 8.568 35.085 1.00 50.02 O HETATM 1564 O HOH 76 -2.926 6.021 9.194 1.00 51.38 O HETATM 1565 O HOH 77 5.563 33.395 31.212 1.00 50.48 O HETATM 1566 O HOH 78 -6.602 27.113 21.618 1.00 46.81 O HETATM 1567 O HOH 79 -7.977 22.362 22.089 1.00 45.89 O HETATM 1568 O HOH 80 -11.015 14.293 36.526 1.00 52.53 O HETATM 1569 O HOH 81 0.879 17.068 3.156 1.00 57.17 O HETATM 1570 O HOH 82 -4.072 16.924 7.561 1.00 65.83 O HETATM 1571 O HOH 83 0.097 14.264 3.157 1.00 61.75 O HETATM 1572 O HOH 84 -0.012 21.066 12.453 1.00 39.87 O HETATM 1573 O HOH 85 7.152 23.590 12.641 1.00 50.87 O HETATM 1574 O HOH 86 3.917 19.142 40.843 1.00 43.81 O HETATM 1575 O HOH 87 13.355 26.270 38.439 1.00 45.64 O HETATM 1576 O HOH 88 7.561 29.250 28.787 1.00 40.65 O HETATM 1577 O HOH 89 6.360 17.268 12.491 1.00 41.50 O HETATM 1578 O HOH 90 12.569 26.025 23.383 1.00 50.68 O HETATM 1579 N40 UNN A 91 3.121 26.604 19.483 1.00 0.24 N HETATM 1580 C41 UNN A 91 3.599 27.884 18.913 1.00 -0.04 C HETATM 1581 H3 UNN A 91 2.909 28.214 18.122 1.00 0.08 H HETATM 1582 H4 UNN A 91 4.604 27.744 18.488 1.00 0.08 H HETATM 1583 H5 UNN A 91 3.640 28.646 19.705 1.00 0.08 H HETATM 1584 C37 UNN A 91 4.002 26.086 20.564 1.00 0.06 C HETATM 1585 C39 UNN A 91 3.296 24.991 21.386 1.00 -0.00 C HETATM 1586 H7 UNN A 91 3.973 24.631 22.174 1.00 0.03 H HETATM 1587 H8 UNN A 91 3.024 24.154 20.726 1.00 0.03 H HETATM 1588 H9 UNN A 91 2.387 25.406 21.845 1.00 0.03 H HETATM 1589 C35 UNN A 91 5.299 25.528 20.012 1.00 0.23 C HETATM 1590 O36 UNN A 91 5.356 25.049 18.900 1.00 -0.39 O HETATM 1591 N34 UNN A 91 6.406 25.572 20.777 1.00 -0.26 N HETATM 1592 C32 UNN A 91 7.691 25.047 20.328 1.00 0.13 C HETATM 1593 C30 UNN A 91 8.106 24.031 21.352 1.00 0.21 C HETATM 1594 O31 UNN A 91 7.609 24.090 22.463 1.00 -0.39 O HETATM 1595 N10 UNN A 91 8.990 23.052 21.065 1.00 -0.24 N HETATM 1596 C9 UNN A 91 9.656 22.997 19.735 1.00 0.08 C HETATM 1597 C7 UNN A 91 10.029 21.565 19.379 1.00 0.00 C HETATM 1598 C6 UNN A 91 11.133 21.518 18.298 1.00 0.02 C HETATM 1599 C4 UNN A 91 11.736 20.106 18.515 1.00 0.10 C HETATM 1600 O3 UNN A 91 13.161 20.156 18.463 1.00 -0.37 O HETATM 1601 C2 UNN A 91 13.784 19.102 17.723 1.00 0.05 C HETATM 1602 C1 UNN A 91 15.309 19.241 17.812 1.00 -0.04 C HETATM 1603 H21 UNN A 91 15.785 18.429 17.242 1.00 0.03 H HETATM 1604 H22 UNN A 91 15.622 19.182 18.865 1.00 0.03 H HETATM 1605 H23 UNN A 91 15.614 20.211 17.393 1.00 0.03 H HETATM 1606 H24 UNN A 91 13.480 18.131 18.142 1.00 0.06 H HETATM 1607 H25 UNN A 91 13.472 19.160 16.670 1.00 0.06 H HETATM 1608 C15 UNN A 91 11.271 19.708 19.940 1.00 -0.00 C HETATM 1609 N14 UNN A 91 10.733 20.942 20.522 1.00 0.24 N HETATM 1610 C13 UNN A 91 9.858 20.755 21.662 1.00 0.01 C HETATM 1611 C11 UNN A 91 9.335 22.122 22.149 1.00 0.17 C HETATM 1612 C16 UNN A 91 10.348 22.775 23.051 1.00 0.21 C HETATM 1613 O17 UNN A 91 10.993 23.726 22.643 1.00 -0.39 O HETATM 1614 N18 UNN A 91 10.492 22.304 24.304 1.00 -0.27 N HETATM 1615 C19 UNN A 91 11.417 22.894 25.274 1.00 0.08 C HETATM 1616 C21 UNN A 91 12.839 22.341 25.093 1.00 0.01 C HETATM 1617 C22 UNN A 91 13.087 21.087 25.950 1.00 0.07 C HETATM 1618 O23 UNN A 91 12.799 21.406 27.323 1.00 -0.32 O HETATM 1619 C24 UNN A 91 11.560 21.902 27.599 1.00 0.10 C HETATM 1620 C25 UNN A 91 11.008 21.670 28.863 1.00 -0.04 C HETATM 1621 C26 UNN A 91 9.742 22.155 29.152 1.00 -0.08 C HETATM 1622 C27 UNN A 91 9.035 22.876 28.194 1.00 -0.08 C HETATM 1623 C28 UNN A 91 9.581 23.110 26.944 1.00 -0.07 C HETATM 1624 C29 UNN A 91 10.848 22.622 26.651 1.00 0.01 C HETATM 1625 H47 UNN A 91 9.025 23.669 26.200 1.00 0.05 H HETATM 1626 H46 UNN A 91 8.048 23.258 28.429 1.00 0.05 H HETATM 1627 H45 UNN A 91 9.302 21.973 30.126 1.00 0.05 H HETATM 1628 H44 UNN A 91 11.565 21.116 29.610 1.00 0.05 H HETATM 1629 H42 UNN A 91 14.137 20.774 25.855 1.00 0.06 H HETATM 1630 H43 UNN A 91 12.430 20.272 25.613 1.00 0.06 H HETATM 1631 H40 UNN A 91 13.561 23.118 25.384 1.00 0.03 H HETATM 1632 H41 UNN A 91 12.986 22.082 24.034 1.00 0.03 H HETATM 1633 H39 UNN A 91 11.456 23.982 25.117 1.00 0.07 H HETATM 1634 H38 UNN A 91 9.943 21.517 24.585 1.00 0.19 H HETATM 1635 H32 UNN A 91 8.421 21.936 22.732 1.00 0.09 H HETATM 1636 H33 UNN A 91 9.008 20.122 21.369 1.00 0.09 H HETATM 1637 H34 UNN A 91 10.416 20.267 22.475 1.00 0.09 H HETATM 1638 H35 UNN A 91 11.496 21.530 20.818 1.00 0.20 H HETATM 1639 H36 UNN A 91 12.119 19.338 20.534 1.00 0.08 H HETATM 1640 H37 UNN A 91 10.492 18.933 19.890 1.00 0.08 H HETATM 1641 H26 UNN A 91 11.360 19.397 17.763 1.00 0.07 H HETATM 1642 H27 UNN A 91 10.709 21.621 17.288 1.00 0.03 H HETATM 1643 H28 UNN A 91 11.886 22.303 18.461 1.00 0.03 H HETATM 1644 H29 UNN A 91 9.134 21.001 19.079 1.00 0.09 H HETATM 1645 H30 UNN A 91 8.970 23.392 18.971 1.00 0.06 H HETATM 1646 H31 UNN A 91 10.568 23.612 19.762 1.00 0.06 H HETATM 1647 C42 UNN A 91 8.742 26.147 20.165 1.00 -0.00 C HETATM 1648 C43 UNN A 91 8.260 27.132 19.086 1.00 -0.04 C HETATM 1649 C44 UNN A 91 9.357 28.177 18.839 1.00 0.01 C HETATM 1650 C45 UNN A 91 9.723 28.911 20.145 1.00 0.25 C HETATM 1651 F46 UNN A 91 10.829 29.736 19.886 1.00 -0.21 F HETATM 1652 F47 UNN A 91 8.629 29.697 20.540 1.00 -0.21 F HETATM 1653 C48 UNN A 91 10.089 27.940 21.287 1.00 0.01 C HETATM 1654 C49 UNN A 91 8.979 26.893 21.496 1.00 -0.04 C HETATM 1655 H19 UNN A 91 9.288 26.177 22.271 1.00 0.03 H HETATM 1656 H20 UNN A 91 8.052 27.395 21.809 1.00 0.03 H HETATM 1657 H17 UNN A 91 10.224 28.512 22.217 1.00 0.03 H HETATM 1658 H18 UNN A 91 11.027 27.424 21.034 1.00 0.03 H HETATM 1659 H15 UNN A 91 8.996 28.910 18.103 1.00 0.03 H HETATM 1660 H16 UNN A 91 10.252 27.673 18.446 1.00 0.03 H HETATM 1661 H13 UNN A 91 7.343 27.634 19.428 1.00 0.03 H HETATM 1662 H14 UNN A 91 8.054 26.586 18.154 1.00 0.03 H HETATM 1663 H12 UNN A 91 9.690 25.692 19.842 1.00 0.03 H HETATM 1664 H10 UNN A 91 7.560 24.552 19.355 1.00 0.08 H HETATM 1665 H11 UNN A 91 6.345 25.980 21.688 1.00 0.19 H HETATM 1666 H6 UNN A 91 4.243 26.924 21.235 1.00 0.11 H HETATM 1667 H1 UNN A 91 3.081 25.919 18.745 1.00 0.20 H HETATM 1668 H2 UNN A 91 2.197 26.745 19.861 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 743 742 747 1489 CONECT 785 784 789 1489 CONECT 1030 1028 1029 1489 CONECT 1156 1155 1160 1489 CONECT 1489 743 785 1030 1156 CONECT 1579 1580 1584 1667 1668 CONECT 1580 1579 1581 1582 1583 CONECT 1581 1580 CONECT 1582 1580 CONECT 1583 1580 CONECT 1584 1579 1585 1589 1666 CONECT 1585 1584 1586 1587 1588 CONECT 1586 1585 CONECT 1587 1585 CONECT 1588 1585 CONECT 1589 1584 1590 1591 CONECT 1590 1589 CONECT 1591 1589 1592 1665 CONECT 1592 1591 1593 1647 1664 CONECT 1593 1592 1594 1595 CONECT 1594 1593 CONECT 1595 1593 1596 1611 CONECT 1596 1595 1597 1645 1646 CONECT 1597 1596 1598 1609 1644 CONECT 1598 1597 1599 1642 1643 CONECT 1599 1598 1600 1608 1641 CONECT 1600 1599 1601 CONECT 1601 1600 1602 1606 1607 CONECT 1602 1601 1603 1604 1605 CONECT 1603 1602 CONECT 1604 1602 CONECT 1605 1602 CONECT 1606 1601 CONECT 1607 1601 CONECT 1608 1599 1609 1639 1640 CONECT 1609 1597 1608 1610 1638 CONECT 1610 1609 1611 1636 1637 CONECT 1611 1595 1610 1612 1635 CONECT 1612 1611 1613 1614 CONECT 1613 1612 CONECT 1614 1612 1615 1634 CONECT 1615 1614 1616 1624 1633 CONECT 1616 1615 1617 1631 1632 CONECT 1617 1616 1618 1629 1630 CONECT 1618 1617 1619 CONECT 1619 1618 1620 1624 CONECT 1620 1619 1621 1628 CONECT 1621 1620 1622 1627 CONECT 1622 1621 1623 1626 CONECT 1623 1622 1624 1625 CONECT 1624 1615 1619 1623 CONECT 1625 1623 CONECT 1626 1622 CONECT 1627 1621 CONECT 1628 1620 CONECT 1629 1617 CONECT 1630 1617 CONECT 1631 1616 CONECT 1632 1616 CONECT 1633 1615 CONECT 1634 1614 CONECT 1635 1611 CONECT 1636 1610 CONECT 1637 1610 CONECT 1638 1609 CONECT 1639 1608 CONECT 1640 1608 CONECT 1641 1599 CONECT 1642 1598 CONECT 1643 1598 CONECT 1644 1597 CONECT 1645 1596 CONECT 1646 1596 CONECT 1647 1592 1648 1654 1663 CONECT 1648 1647 1649 1661 1662 CONECT 1649 1648 1650 1659 1660 CONECT 1650 1649 1651 1652 1653 CONECT 1651 1650 CONECT 1652 1650 CONECT 1653 1650 1654 1657 1658 CONECT 1654 1647 1653 1655 1656 CONECT 1655 1654 CONECT 1656 1654 CONECT 1657 1653 CONECT 1658 1653 CONECT 1659 1649 CONECT 1660 1649 CONECT 1661 1648 CONECT 1662 1648 CONECT 1663 1647 CONECT 1664 1592 CONECT 1665 1591 CONECT 1666 1584 CONECT 1667 1579 CONECT 1668 1579 MASTER 0 0 0 0 0 0 0 0 1667 1 99 8 END
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Structure:
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Related entries of code: 4hy5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4hy4
RCSB PDB
PDBbind
115aa, >4HY4_1|Chains... *
4lge
RCSB PDB
PDBbind
115aa, >4LGE_1|Chains... at 100%
4lgu
RCSB PDB
PDBbind
115aa, >4LGU_1|Chains... at 100%
4mti
RCSB PDB
PDBbind
115aa, >4MTI_1|Chains... at 100%
4mu7
RCSB PDB
PDBbind
115aa, >4MU7_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4hy0
RCSB PDB
PDBbind
1AQ
Entry Information
PDB ID
4hy5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Baculoviral IAP repeat-containing protein 2
Ligand Name
1AQ
EC.Number
E.C.6.3.2
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
IC50=1.3nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 1228-1246
Ligand Properties
Formula
C
3
1
H
4
7
F
2
N
5
O
5
Molecular Weight
607.732
Exact Mass
607.355
No. of atoms
90
No. of bonds
94
Polar Surface Area
118.02
LOGP Value
2.54 (
Computed with XLOGP3
)
2.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
CCO[C@@H]1C[C@H]2[N@H+](C1)C[C@H](N(C2)C(=O)[C@H](C1CCC(CC1)(F)F)NC(=O)[C@@H]([NH2+]C)C)C(=O)N[C@@H]1CCOc2c1cccc2
InChI String
InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/p+2/t19-,21+,22+,24+,25-,27-/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):
Q13490
Entrez Gene ID
NCBI Entrez Gene ID:
329
ASD
Information of known allosteric effects of PDB entries
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