Browse entries in the PDBbind-CN Database
HEADER 2LAS_COMPLEX COMPND 2LAS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 78 GLU TYR ILE LYS LEU LYS VAL ILE GLY GLN ASP SER SER SEQRES 2 A 78 GLU ILE HIS PHE LYS VAL LYS MET THR THR HIS LEU LYS SEQRES 3 A 78 LYS LEU LYS GLU SER TYR CYS GLN ARG GLN GLY VAL PRO SEQRES 4 A 78 MET ASN SER LEU ARG PHE LEU PHE GLU GLY GLN ARG ILE SEQRES 5 A 78 ALA ASP ASN HIS THR PRO LYS GLU LEU GLY MET GLU GLU SEQRES 6 A 78 GLU ASP VAL ILE GLU VAL TYR GLN GLU GLN THR GLY GLY HET ASP A 79 231 ATOM 1 N GLU A 20 16.575 -0.478 -3.573 1.00 0.96 N ATOM 2 CA GLU A 20 16.147 -0.636 -2.159 1.00 0.70 C ATOM 3 C GLU A 20 14.688 -0.233 -1.976 1.00 0.59 C ATOM 4 O GLU A 20 13.823 -1.083 -1.765 1.00 0.67 O ATOM 5 CB GLU A 20 17.037 0.204 -1.238 1.00 1.25 C ATOM 6 CG GLU A 20 18.394 -0.425 -0.967 1.00 1.46 C ATOM 7 CD GLU A 20 18.282 -1.771 -0.279 1.00 1.47 C ATOM 8 OE1 GLU A 20 18.045 -1.794 0.947 1.00 2.00 O ATOM 9 OE2 GLU A 20 18.429 -2.804 -0.967 1.00 1.24 O ATOM 10 HA GLU A 20 16.248 -1.689 -1.895 1.00 0.00 H ATOM 11 HB2 GLU A 20 17.194 1.177 -1.703 1.00 0.00 H ATOM 12 HB3 GLU A 20 16.522 0.337 -0.287 1.00 0.00 H ATOM 13 HG2 GLU A 20 18.913 -0.559 -1.916 1.00 0.00 H ATOM 14 HG3 GLU A 20 18.970 0.247 -0.331 1.00 0.00 H ATOM 15 HN3 GLU A 20 16.467 0.516 -3.858 1.00 0.00 H ATOM 16 HN2 GLU A 20 15.985 -1.080 -4.182 1.00 0.00 H ATOM 17 HN1 GLU A 20 17.572 -0.760 -3.666 1.00 0.00 H ATOM 18 N TYR A 21 14.420 1.067 -2.063 1.00 0.54 N ATOM 19 CA TYR A 21 13.067 1.583 -1.899 1.00 0.47 C ATOM 20 C TYR A 21 12.382 1.794 -3.243 1.00 0.46 C ATOM 21 O TYR A 21 12.994 2.277 -4.197 1.00 0.54 O ATOM 22 CB TYR A 21 13.088 2.902 -1.124 1.00 0.47 C ATOM 23 CG TYR A 21 13.224 2.730 0.370 1.00 0.51 C ATOM 24 CD1 TYR A 21 12.176 2.225 1.125 1.00 0.49 C ATOM 25 CD2 TYR A 21 14.397 3.080 1.027 1.00 0.68 C ATOM 26 CE1 TYR A 21 12.288 2.072 2.492 1.00 0.59 C ATOM 27 CE2 TYR A 21 14.518 2.930 2.394 1.00 0.79 C ATOM 28 CZ TYR A 21 13.461 2.426 3.121 1.00 0.72 C ATOM 29 OH TYR A 21 13.574 2.276 4.480 1.00 0.86 O ATOM 30 HA TYR A 21 12.501 0.840 -1.338 1.00 0.00 H ATOM 31 HB3 TYR A 21 12.158 3.434 -1.326 1.00 0.00 H ATOM 32 HB2 TYR A 21 13.930 3.496 -1.480 1.00 0.00 H ATOM 33 HD2 TYR A 21 15.234 3.479 0.455 1.00 0.00 H ATOM 34 HE2 TYR A 21 15.445 3.209 2.896 1.00 0.00 H ATOM 35 HE1 TYR A 21 11.454 1.674 3.070 1.00 0.00 H ATOM 36 HD1 TYR A 21 11.247 1.944 0.630 1.00 0.00 H ATOM 37 HH TYR A 21 14.321 1.658 4.682 1.00 0.00 H ATOM 38 H TYR A 21 15.196 1.733 -2.253 1.00 0.00 H ATOM 39 N ILE A 22 11.109 1.423 -3.307 1.00 0.45 N ATOM 40 CA ILE A 22 10.320 1.581 -4.521 1.00 0.47 C ATOM 41 C ILE A 22 9.194 2.585 -4.293 1.00 0.46 C ATOM 42 O ILE A 22 8.698 2.728 -3.173 1.00 0.50 O ATOM 43 CB ILE A 22 9.722 0.240 -5.001 1.00 0.55 C ATOM 44 CG1 ILE A 22 8.887 -0.408 -3.893 1.00 0.57 C ATOM 45 CG2 ILE A 22 10.830 -0.700 -5.457 1.00 0.62 C ATOM 46 CD1 ILE A 22 8.052 -1.578 -4.369 1.00 0.68 C ATOM 47 HA ILE A 22 10.993 1.948 -5.296 1.00 0.00 H ATOM 48 HB ILE A 22 9.066 0.439 -5.848 1.00 0.00 H ATOM 49 HG12 ILE A 22 9.562 -0.761 -3.114 1.00 0.00 H ATOM 50 HG13 ILE A 22 8.219 0.347 -3.479 1.00 0.00 H ATOM 51 HD11 ILE A 22 7.362 -1.240 -5.142 1.00 0.00 H ATOM 52 HD12 ILE A 22 8.707 -2.348 -4.777 1.00 0.00 H ATOM 53 HD13 ILE A 22 7.488 -1.986 -3.530 1.00 0.00 H ATOM 54 HG21 ILE A 22 11.379 -0.240 -6.279 1.00 0.00 H ATOM 55 HG22 ILE A 22 11.509 -0.890 -4.626 1.00 0.00 H ATOM 56 HG23 ILE A 22 10.392 -1.640 -5.792 1.00 0.00 H ATOM 57 H ILE A 22 10.662 1.007 -2.465 1.00 0.00 H ATOM 58 N LYS A 23 8.800 3.286 -5.350 1.00 0.47 N ATOM 59 CA LYS A 23 7.737 4.278 -5.248 1.00 0.49 C ATOM 60 C LYS A 23 6.373 3.651 -5.518 1.00 0.42 C ATOM 61 O LYS A 23 6.049 3.310 -6.654 1.00 0.51 O ATOM 62 CB LYS A 23 7.982 5.432 -6.226 1.00 0.64 C ATOM 63 CG LYS A 23 7.060 6.624 -6.004 1.00 0.75 C ATOM 64 CD LYS A 23 7.118 7.610 -7.162 1.00 0.95 C ATOM 65 CE LYS A 23 8.503 8.221 -7.315 1.00 1.11 C ATOM 66 NZ LYS A 23 8.545 9.234 -8.407 1.00 1.37 N ATOM 67 HA LYS A 23 7.743 4.667 -4.230 1.00 0.00 H ATOM 68 HB2 LYS A 23 9.013 5.767 -6.113 1.00 0.00 H ATOM 69 HB3 LYS A 23 7.831 5.063 -7.240 1.00 0.00 H ATOM 70 HG2 LYS A 23 6.037 6.264 -5.899 1.00 0.00 H ATOM 71 HG3 LYS A 23 7.359 7.136 -5.090 1.00 0.00 H ATOM 72 HD2 LYS A 23 6.858 7.088 -8.083 1.00 0.00 H ATOM 73 HD3 LYS A 23 6.398 8.408 -6.983 1.00 0.00 H ATOM 74 HE2 LYS A 23 9.215 7.428 -7.542 1.00 0.00 H ATOM 75 HE3 LYS A 23 8.782 8.701 -6.377 1.00 0.00 H ATOM 76 HZ1 LYS A 23 8.286 8.782 -9.307 1.00 0.00 H ATOM 77 HZ2 LYS A 23 7.872 9.998 -8.195 1.00 0.00 H ATOM 78 HZ3 LYS A 23 9.506 9.626 -8.478 1.00 0.00 H ATOM 79 H LYS A 23 9.259 3.124 -6.269 1.00 0.00 H ATOM 80 N LEU A 24 5.585 3.494 -4.462 1.00 0.35 N ATOM 81 CA LEU A 24 4.250 2.923 -4.581 1.00 0.33 C ATOM 82 C LEU A 24 3.197 4.011 -4.435 1.00 0.33 C ATOM 83 O LEU A 24 2.982 4.540 -3.343 1.00 0.34 O ATOM 84 CB LEU A 24 4.034 1.836 -3.524 1.00 0.35 C ATOM 85 CG LEU A 24 4.865 0.564 -3.716 1.00 0.39 C ATOM 86 CD1 LEU A 24 4.666 -0.382 -2.543 1.00 0.49 C ATOM 87 CD2 LEU A 24 4.498 -0.124 -5.023 1.00 0.42 C ATOM 88 HA LEU A 24 4.155 2.471 -5.568 1.00 0.00 H ATOM 89 HB2 LEU A 24 4.283 2.258 -2.550 1.00 0.00 H ATOM 90 HB3 LEU A 24 2.981 1.556 -3.538 1.00 0.00 H ATOM 91 HG LEU A 24 5.917 0.845 -3.760 1.00 0.00 H ATOM 92 HD21 LEU A 24 3.441 -0.391 -5.007 1.00 0.00 H ATOM 93 HD22 LEU A 24 4.691 0.553 -5.855 1.00 0.00 H ATOM 94 HD23 LEU A 24 5.100 -1.025 -5.139 1.00 0.00 H ATOM 95 HD11 LEU A 24 4.979 0.111 -1.623 1.00 0.00 H ATOM 96 HD12 LEU A 24 3.613 -0.653 -2.471 1.00 0.00 H ATOM 97 HD13 LEU A 24 5.264 -1.280 -2.697 1.00 0.00 H ATOM 98 H LEU A 24 5.929 3.786 -3.525 1.00 0.00 H ATOM 99 N LYS A 25 2.549 4.351 -5.543 1.00 0.37 N ATOM 100 CA LYS A 25 1.522 5.383 -5.538 1.00 0.41 C ATOM 101 C LYS A 25 0.177 4.824 -5.095 1.00 0.42 C ATOM 102 O LYS A 25 -0.543 4.208 -5.882 1.00 0.46 O ATOM 103 CB LYS A 25 1.391 6.017 -6.923 1.00 0.48 C ATOM 104 CG LYS A 25 2.481 7.026 -7.233 1.00 0.50 C ATOM 105 CD LYS A 25 2.242 7.701 -8.572 1.00 0.64 C ATOM 106 CE LYS A 25 3.176 8.883 -8.771 1.00 0.67 C ATOM 107 NZ LYS A 25 2.974 9.531 -10.095 1.00 0.85 N ATOM 108 HA LYS A 25 1.827 6.147 -4.823 1.00 0.00 H ATOM 109 HB2 LYS A 25 1.431 5.225 -7.671 1.00 0.00 H ATOM 110 HB3 LYS A 25 0.427 6.522 -6.982 1.00 0.00 H ATOM 111 HG2 LYS A 25 2.497 7.784 -6.450 1.00 0.00 H ATOM 112 HG3 LYS A 25 3.443 6.514 -7.260 1.00 0.00 H ATOM 113 HD2 LYS A 25 2.410 6.977 -9.369 1.00 0.00 H ATOM 114 HD3 LYS A 25 1.211 8.052 -8.614 1.00 0.00 H ATOM 115 HE2 LYS A 25 4.206 8.534 -8.702 1.00 0.00 H ATOM 116 HE3 LYS A 25 2.989 9.617 -7.987 1.00 0.00 H ATOM 117 HZ1 LYS A 25 3.157 8.839 -10.850 1.00 0.00 H ATOM 118 HZ2 LYS A 25 1.994 9.873 -10.166 1.00 0.00 H ATOM 119 HZ3 LYS A 25 3.630 10.332 -10.191 1.00 0.00 H ATOM 120 H LYS A 25 2.780 3.869 -6.435 1.00 0.00 H ATOM 121 N VAL A 26 -0.148 5.036 -3.825 1.00 0.42 N ATOM 122 CA VAL A 26 -1.409 4.565 -3.271 1.00 0.45 C ATOM 123 C VAL A 26 -2.480 5.643 -3.421 1.00 0.49 C ATOM 124 O VAL A 26 -2.544 6.592 -2.637 1.00 0.49 O ATOM 125 CB VAL A 26 -1.264 4.167 -1.786 1.00 0.44 C ATOM 126 CG1 VAL A 26 -2.579 3.640 -1.237 1.00 0.48 C ATOM 127 CG2 VAL A 26 -0.162 3.131 -1.619 1.00 0.43 C ATOM 128 HA VAL A 26 -1.707 3.676 -3.827 1.00 0.00 H ATOM 129 HB VAL A 26 -0.992 5.057 -1.219 1.00 0.00 H ATOM 130 HG11 VAL A 26 -3.342 4.414 -1.321 1.00 0.00 H ATOM 131 HG12 VAL A 26 -2.884 2.763 -1.808 1.00 0.00 H ATOM 132 HG13 VAL A 26 -2.451 3.367 -0.190 1.00 0.00 H ATOM 133 HG21 VAL A 26 -0.408 2.244 -2.202 1.00 0.00 H ATOM 134 HG22 VAL A 26 0.782 3.547 -1.969 1.00 0.00 H ATOM 135 HG23 VAL A 26 -0.074 2.862 -0.566 1.00 0.00 H ATOM 136 H VAL A 26 0.515 5.551 -3.211 1.00 0.00 H ATOM 137 N ILE A 27 -3.305 5.492 -4.450 1.00 0.54 N ATOM 138 CA ILE A 27 -4.361 6.446 -4.740 1.00 0.59 C ATOM 139 C ILE A 27 -5.714 5.931 -4.283 1.00 0.63 C ATOM 140 O ILE A 27 -6.184 4.892 -4.746 1.00 0.67 O ATOM 141 CB ILE A 27 -4.432 6.745 -6.241 1.00 0.65 C ATOM 142 CG1 ILE A 27 -3.184 7.514 -6.672 1.00 0.64 C ATOM 143 CG2 ILE A 27 -5.680 7.544 -6.554 1.00 0.72 C ATOM 144 CD1 ILE A 27 -3.167 7.885 -8.141 1.00 0.72 C ATOM 145 HA ILE A 27 -4.121 7.359 -4.194 1.00 0.00 H ATOM 146 HB ILE A 27 -4.476 5.806 -6.793 1.00 0.00 H ATOM 147 HG12 ILE A 27 -3.126 8.431 -6.086 1.00 0.00 H ATOM 148 HG13 ILE A 27 -2.311 6.896 -6.464 1.00 0.00 H ATOM 149 HD11 ILE A 27 -3.212 6.978 -8.744 1.00 0.00 H ATOM 150 HD12 ILE A 27 -4.028 8.515 -8.365 1.00 0.00 H ATOM 151 HD13 ILE A 27 -2.249 8.428 -8.367 1.00 0.00 H ATOM 152 HG21 ILE A 27 -6.560 6.971 -6.261 1.00 0.00 H ATOM 153 HG22 ILE A 27 -5.656 8.484 -6.002 1.00 0.00 H ATOM 154 HG23 ILE A 27 -5.719 7.750 -7.624 1.00 0.00 H ATOM 155 H ILE A 27 -3.191 4.664 -5.069 1.00 0.00 H ATOM 156 N GLY A 28 -6.336 6.673 -3.372 1.00 0.64 N ATOM 157 CA GLY A 28 -7.637 6.289 -2.855 1.00 0.69 C ATOM 158 C GLY A 28 -8.771 6.635 -3.799 1.00 0.77 C ATOM 159 O GLY A 28 -8.542 6.921 -4.974 1.00 0.79 O ATOM 160 HA3 GLY A 28 -7.802 6.805 -1.909 1.00 0.00 H ATOM 161 HA2 GLY A 28 -7.641 5.212 -2.686 1.00 0.00 H ATOM 162 H GLY A 28 -5.883 7.542 -3.024 1.00 0.00 H ATOM 163 N GLN A 29 -9.999 6.618 -3.286 1.00 0.82 N ATOM 164 CA GLN A 29 -11.156 6.927 -4.115 1.00 0.90 C ATOM 165 C GLN A 29 -11.866 8.191 -3.651 1.00 0.92 C ATOM 166 O GLN A 29 -13.091 8.234 -3.562 1.00 0.99 O ATOM 167 CB GLN A 29 -12.130 5.747 -4.113 1.00 0.96 C ATOM 168 CG GLN A 29 -12.825 5.570 -5.444 1.00 1.04 C ATOM 169 CD GLN A 29 -11.840 5.588 -6.597 1.00 1.02 C ATOM 170 OE1 GLN A 29 -11.029 4.672 -6.753 1.00 1.00 O ATOM 171 NE2 GLN A 29 -11.891 6.645 -7.402 1.00 1.05 N ATOM 172 HA GLN A 29 -10.798 7.104 -5.129 1.00 0.00 H ATOM 173 HB2 GLN A 29 -11.577 4.837 -3.883 1.00 0.00 H ATOM 174 HB3 GLN A 29 -12.884 5.916 -3.344 1.00 0.00 H ATOM 175 HG2 GLN A 29 -13.352 4.616 -5.444 1.00 0.00 H ATOM 176 HG3 GLN A 29 -13.542 6.380 -5.579 1.00 0.00 H ATOM 177 HE22 GLN A 29 -12.592 7.394 -7.233 1.00 0.00 H ATOM 178 HE21 GLN A 29 -11.230 6.722 -8.201 1.00 0.00 H ATOM 179 H GLN A 29 -10.134 6.382 -2.282 1.00 0.00 H ATOM 180 N ASP A 30 -11.076 9.218 -3.365 1.00 0.88 N ATOM 181 CA ASP A 30 -11.595 10.500 -2.907 1.00 0.92 C ATOM 182 C ASP A 30 -10.510 11.569 -2.984 1.00 0.89 C ATOM 183 O ASP A 30 -10.522 12.547 -2.231 1.00 0.91 O ATOM 184 CB ASP A 30 -12.131 10.372 -1.472 1.00 0.92 C ATOM 185 CG ASP A 30 -11.166 9.656 -0.540 1.00 0.86 C ATOM 186 OD1 ASP A 30 -10.040 9.333 -0.976 1.00 0.81 O ATOM 187 OD2 ASP A 30 -11.536 9.415 0.631 1.00 0.88 O ATOM 188 HA ASP A 30 -12.417 10.800 -3.557 1.00 0.00 H ATOM 189 HB2 ASP A 30 -12.316 11.372 -1.079 1.00 0.00 H ATOM 190 HB3 ASP A 30 -13.067 9.814 -1.499 1.00 0.00 H ATOM 191 H ASP A 30 -10.048 9.104 -3.472 1.00 0.00 H ATOM 192 N SER A 31 -9.580 11.364 -3.917 1.00 0.87 N ATOM 193 CA SER A 31 -8.457 12.268 -4.155 1.00 0.86 C ATOM 194 C SER A 31 -7.390 12.207 -3.053 1.00 0.80 C ATOM 195 O SER A 31 -6.510 13.070 -2.969 1.00 0.81 O ATOM 196 CB SER A 31 -8.959 13.704 -4.329 1.00 0.93 C ATOM 197 OG SER A 31 -7.892 14.580 -4.648 1.00 0.95 O ATOM 198 HA SER A 31 -7.976 11.933 -5.074 1.00 0.00 H ATOM 199 HB2 SER A 31 -9.426 14.034 -3.401 1.00 0.00 H ATOM 200 HB3 SER A 31 -9.694 13.730 -5.133 1.00 0.00 H ATOM 201 HG SER A 31 -7.223 14.563 -3.918 1.00 0.00 H ATOM 202 H SER A 31 -9.658 10.512 -4.509 1.00 0.00 H ATOM 203 N SER A 32 -7.477 11.176 -2.215 1.00 0.75 N ATOM 204 CA SER A 32 -6.524 10.974 -1.134 1.00 0.71 C ATOM 205 C SER A 32 -5.319 10.211 -1.667 1.00 0.65 C ATOM 206 O SER A 32 -5.377 8.994 -1.828 1.00 0.62 O ATOM 207 CB SER A 32 -7.174 10.175 -0.005 1.00 0.71 C ATOM 208 OG SER A 32 -6.221 9.813 0.979 1.00 0.69 O ATOM 209 HA SER A 32 -6.208 11.943 -0.746 1.00 0.00 H ATOM 210 HB2 SER A 32 -7.619 9.270 -0.419 1.00 0.00 H ATOM 211 HB3 SER A 32 -7.952 10.782 0.459 1.00 0.00 H ATOM 212 HG SER A 32 -6.668 9.298 1.696 1.00 0.00 H ATOM 213 H SER A 32 -8.251 10.493 -2.337 1.00 0.00 H ATOM 214 N GLU A 33 -4.239 10.921 -1.985 1.00 0.64 N ATOM 215 CA GLU A 33 -3.047 10.251 -2.493 1.00 0.59 C ATOM 216 C GLU A 33 -1.933 10.312 -1.459 1.00 0.55 C ATOM 217 O GLU A 33 -1.849 11.266 -0.692 1.00 0.69 O ATOM 218 CB GLU A 33 -2.592 10.874 -3.815 1.00 0.64 C ATOM 219 CG GLU A 33 -1.493 10.085 -4.517 1.00 0.56 C ATOM 220 CD GLU A 33 -1.078 10.701 -5.839 1.00 0.64 C ATOM 221 OE1 GLU A 33 -1.944 10.839 -6.728 1.00 0.84 O ATOM 222 OE2 GLU A 33 0.113 11.046 -5.986 1.00 1.12 O ATOM 223 HA GLU A 33 -3.292 9.206 -2.682 1.00 0.00 H ATOM 224 HB2 GLU A 33 -3.452 10.934 -4.482 1.00 0.00 H ATOM 225 HB3 GLU A 33 -2.220 11.878 -3.613 1.00 0.00 H ATOM 226 HG2 GLU A 33 -0.622 10.044 -3.863 1.00 0.00 H ATOM 227 HG3 GLU A 33 -1.855 9.074 -4.702 1.00 0.00 H ATOM 228 H GLU A 33 -4.245 11.955 -1.871 1.00 0.00 H ATOM 229 N ILE A 34 -1.104 9.271 -1.413 1.00 0.45 N ATOM 230 CA ILE A 34 0.011 9.222 -0.470 1.00 0.41 C ATOM 231 C ILE A 34 1.216 8.519 -1.100 1.00 0.37 C ATOM 232 O ILE A 34 1.061 7.480 -1.744 1.00 0.34 O ATOM 233 CB ILE A 34 -0.362 8.486 0.846 1.00 0.42 C ATOM 234 CG1 ILE A 34 -1.617 9.093 1.486 1.00 0.48 C ATOM 235 CG2 ILE A 34 0.802 8.531 1.828 1.00 0.49 C ATOM 236 CD1 ILE A 34 -2.021 8.433 2.789 1.00 0.57 C ATOM 237 HA ILE A 34 0.259 10.256 -0.229 1.00 0.00 H ATOM 238 HB ILE A 34 -0.577 7.447 0.598 1.00 0.00 H ATOM 239 HG12 ILE A 34 -1.428 10.149 1.680 1.00 0.00 H ATOM 240 HG13 ILE A 34 -2.443 8.997 0.781 1.00 0.00 H ATOM 241 HD11 ILE A 34 -2.226 7.377 2.612 1.00 0.00 H ATOM 242 HD12 ILE A 34 -1.210 8.530 3.511 1.00 0.00 H ATOM 243 HD13 ILE A 34 -2.916 8.918 3.178 1.00 0.00 H ATOM 244 HG21 ILE A 34 1.670 8.045 1.383 1.00 0.00 H ATOM 245 HG22 ILE A 34 1.043 9.569 2.057 1.00 0.00 H ATOM 246 HG23 ILE A 34 0.523 8.011 2.744 1.00 0.00 H ATOM 247 H ILE A 34 -1.254 8.474 -2.064 1.00 0.00 H ATOM 248 N HIS A 35 2.417 9.082 -0.918 1.00 0.41 N ATOM 249 CA HIS A 35 3.620 8.457 -1.464 1.00 0.40 C ATOM 250 C HIS A 35 4.188 7.451 -0.469 1.00 0.40 C ATOM 251 O HIS A 35 4.358 7.758 0.712 1.00 0.58 O ATOM 252 CB HIS A 35 4.678 9.506 -1.813 1.00 0.54 C ATOM 253 CG HIS A 35 4.713 9.855 -3.268 1.00 0.61 C ATOM 254 ND1 HIS A 35 4.995 11.114 -3.751 1.00 0.82 N ATOM 255 CD2 HIS A 35 4.506 9.075 -4.360 1.00 0.77 C ATOM 256 CE1 HIS A 35 4.953 11.060 -5.089 1.00 0.90 C ATOM 257 NE2 HIS A 35 4.660 9.844 -5.508 1.00 0.91 N ATOM 258 HA HIS A 35 3.343 7.936 -2.381 1.00 0.00 H ATOM 259 HB2 HIS A 35 4.467 10.412 -1.245 1.00 0.00 H ATOM 260 HB3 HIS A 35 5.656 9.119 -1.527 1.00 0.00 H ATOM 261 HD2 HIS A 35 4.258 8.014 -4.340 1.00 0.00 H ATOM 262 HE1 HIS A 35 5.137 11.910 -5.746 1.00 0.00 H ATOM 263 H HIS A 35 2.494 9.971 -0.384 1.00 0.00 H ATOM 264 N PHE A 36 4.476 6.248 -0.962 1.00 0.39 N ATOM 265 CA PHE A 36 4.989 5.170 -0.120 1.00 0.48 C ATOM 266 C PHE A 36 6.376 4.696 -0.551 1.00 0.45 C ATOM 267 O PHE A 36 6.635 4.501 -1.738 1.00 0.54 O ATOM 268 CB PHE A 36 4.039 3.968 -0.188 1.00 0.65 C ATOM 269 CG PHE A 36 2.887 4.013 0.773 1.00 0.66 C ATOM 270 CD1 PHE A 36 1.910 4.992 0.672 1.00 0.73 C ATOM 271 CD2 PHE A 36 2.775 3.062 1.772 1.00 1.39 C ATOM 272 CE1 PHE A 36 0.847 5.019 1.552 1.00 0.80 C ATOM 273 CE2 PHE A 36 1.713 3.084 2.655 1.00 1.54 C ATOM 274 CZ PHE A 36 0.750 4.065 2.545 1.00 0.99 C ATOM 275 HA PHE A 36 5.059 5.569 0.892 1.00 0.00 H ATOM 276 HB2 PHE A 36 3.634 3.914 -1.199 1.00 0.00 H ATOM 277 HB3 PHE A 36 4.617 3.068 0.019 1.00 0.00 H ATOM 278 HD2 PHE A 36 3.535 2.286 1.863 1.00 0.00 H ATOM 279 HE2 PHE A 36 1.636 2.328 3.437 1.00 0.00 H ATOM 280 HZ PHE A 36 -0.088 4.087 3.242 1.00 0.00 H ATOM 281 HE1 PHE A 36 0.085 5.793 1.463 1.00 0.00 H ATOM 282 HD1 PHE A 36 1.982 5.748 -0.110 1.00 0.00 H ATOM 283 H PHE A 36 4.331 6.071 -1.977 1.00 0.00 H ATOM 284 N LYS A 37 7.264 4.516 0.426 1.00 0.43 N ATOM 285 CA LYS A 37 8.599 3.994 0.162 1.00 0.42 C ATOM 286 C LYS A 37 8.760 2.683 0.925 1.00 0.39 C ATOM 287 O LYS A 37 8.874 2.680 2.151 1.00 0.38 O ATOM 288 CB LYS A 37 9.678 4.994 0.584 1.00 0.47 C ATOM 289 CG LYS A 37 9.839 6.162 -0.374 1.00 0.56 C ATOM 290 CD LYS A 37 10.970 7.080 0.059 1.00 0.65 C ATOM 291 CE LYS A 37 11.176 8.215 -0.929 1.00 0.80 C ATOM 292 NZ LYS A 37 12.294 9.110 -0.519 1.00 0.94 N ATOM 293 HA LYS A 37 8.717 3.824 -0.908 1.00 0.00 H ATOM 294 HB2 LYS A 37 9.417 5.388 1.566 1.00 0.00 H ATOM 295 HB3 LYS A 37 10.630 4.467 0.647 1.00 0.00 H ATOM 296 HG2 LYS A 37 10.056 5.777 -1.370 1.00 0.00 H ATOM 297 HG3 LYS A 37 8.910 6.731 -0.400 1.00 0.00 H ATOM 298 HD2 LYS A 37 10.731 7.500 1.036 1.00 0.00 H ATOM 299 HD3 LYS A 37 11.890 6.500 0.129 1.00 0.00 H ATOM 300 HE2 LYS A 37 10.259 8.801 -0.990 1.00 0.00 H ATOM 301 HE3 LYS A 37 11.402 7.794 -1.909 1.00 0.00 H ATOM 302 HZ1 LYS A 37 12.083 9.522 0.412 1.00 0.00 H ATOM 303 HZ2 LYS A 37 13.175 8.560 -0.465 1.00 0.00 H ATOM 304 HZ3 LYS A 37 12.402 9.871 -1.219 1.00 0.00 H ATOM 305 H LYS A 37 6.998 4.754 1.403 1.00 0.00 H ATOM 306 N VAL A 38 8.765 1.570 0.197 1.00 0.42 N ATOM 307 CA VAL A 38 8.872 0.252 0.817 1.00 0.44 C ATOM 308 C VAL A 38 10.081 -0.518 0.295 1.00 0.46 C ATOM 309 O VAL A 38 10.400 -0.459 -0.893 1.00 0.52 O ATOM 310 CB VAL A 38 7.592 -0.585 0.560 1.00 0.49 C ATOM 311 CG1 VAL A 38 7.645 -1.917 1.293 1.00 0.60 C ATOM 312 CG2 VAL A 38 6.347 0.191 0.963 1.00 0.53 C ATOM 313 HA VAL A 38 8.994 0.415 1.888 1.00 0.00 H ATOM 314 HB VAL A 38 7.543 -0.789 -0.510 1.00 0.00 H ATOM 315 HG11 VAL A 38 8.507 -2.487 0.947 1.00 0.00 H ATOM 316 HG12 VAL A 38 7.733 -1.737 2.365 1.00 0.00 H ATOM 317 HG13 VAL A 38 6.733 -2.478 1.091 1.00 0.00 H ATOM 318 HG21 VAL A 38 6.400 0.435 2.024 1.00 0.00 H ATOM 319 HG22 VAL A 38 6.289 1.110 0.380 1.00 0.00 H ATOM 320 HG23 VAL A 38 5.463 -0.418 0.773 1.00 0.00 H ATOM 321 H VAL A 38 8.691 1.640 -0.838 1.00 0.00 H ATOM 322 N LYS A 39 10.757 -1.233 1.195 1.00 0.47 N ATOM 323 CA LYS A 39 11.914 -2.037 0.820 1.00 0.53 C ATOM 324 C LYS A 39 11.464 -3.310 0.106 1.00 0.57 C ATOM 325 O LYS A 39 10.357 -3.801 0.336 1.00 0.65 O ATOM 326 CB LYS A 39 12.748 -2.392 2.055 1.00 0.61 C ATOM 327 CG LYS A 39 13.679 -1.277 2.504 1.00 0.53 C ATOM 328 CD LYS A 39 14.314 -1.594 3.848 1.00 1.09 C ATOM 329 CE LYS A 39 15.345 -0.547 4.238 1.00 1.08 C ATOM 330 NZ LYS A 39 15.832 -0.737 5.633 1.00 1.98 N ATOM 331 HA LYS A 39 12.534 -1.451 0.141 1.00 0.00 H ATOM 332 HB2 LYS A 39 12.068 -2.624 2.875 1.00 0.00 H ATOM 333 HB3 LYS A 39 13.350 -3.271 1.823 1.00 0.00 H ATOM 334 HG2 LYS A 39 14.466 -1.150 1.760 1.00 0.00 H ATOM 335 HG3 LYS A 39 13.109 -0.352 2.590 1.00 0.00 H ATOM 336 HD2 LYS A 39 13.535 -1.625 4.610 1.00 0.00 H ATOM 337 HD3 LYS A 39 14.802 -2.567 3.789 1.00 0.00 H ATOM 338 HE2 LYS A 39 14.893 0.441 4.154 1.00 0.00 H ATOM 339 HE3 LYS A 39 16.193 -0.616 3.556 1.00 0.00 H ATOM 340 HZ1 LYS A 39 15.030 -0.666 6.292 1.00 0.00 H ATOM 341 HZ2 LYS A 39 16.272 -1.675 5.721 1.00 0.00 H ATOM 342 HZ3 LYS A 39 16.533 -0.002 5.857 1.00 0.00 H ATOM 343 H LYS A 39 10.451 -1.217 2.189 1.00 0.00 H ATOM 344 N MET A 40 12.325 -3.841 -0.757 1.00 0.63 N ATOM 345 CA MET A 40 12.008 -5.052 -1.510 1.00 0.72 C ATOM 346 C MET A 40 12.185 -6.308 -0.657 1.00 0.75 C ATOM 347 O MET A 40 11.896 -7.419 -1.104 1.00 0.85 O ATOM 348 CB MET A 40 12.882 -5.137 -2.763 1.00 0.85 C ATOM 349 CG MET A 40 12.665 -3.986 -3.734 1.00 0.94 C ATOM 350 SD MET A 40 13.740 -4.075 -5.181 1.00 1.31 S ATOM 351 CE MET A 40 15.358 -3.984 -4.417 1.00 1.48 C ATOM 352 HA MET A 40 10.960 -4.996 -1.805 1.00 0.00 H ATOM 353 HB2 MET A 40 13.928 -5.137 -2.455 1.00 0.00 H ATOM 354 HB3 MET A 40 12.657 -6.071 -3.278 1.00 0.00 H ATOM 355 HG2 MET A 40 12.860 -3.049 -3.212 1.00 0.00 H ATOM 356 HG3 MET A 40 11.628 -4.004 -4.069 1.00 0.00 H ATOM 357 HE1 MET A 40 15.447 -3.047 -3.867 1.00 0.00 H ATOM 358 HE2 MET A 40 15.482 -4.822 -3.731 1.00 0.00 H ATOM 359 HE3 MET A 40 16.126 -4.028 -5.189 1.00 0.00 H ATOM 360 H MET A 40 13.248 -3.383 -0.900 1.00 0.00 H ATOM 361 N THR A 41 12.660 -6.125 0.573 1.00 0.74 N ATOM 362 CA THR A 41 12.870 -7.238 1.490 1.00 0.82 C ATOM 363 C THR A 41 11.700 -7.363 2.468 1.00 0.78 C ATOM 364 O THR A 41 11.377 -8.458 2.930 1.00 0.96 O ATOM 365 CB THR A 41 14.179 -7.063 2.288 1.00 0.94 C ATOM 366 OG1 THR A 41 15.209 -6.549 1.435 1.00 1.32 O ATOM 367 CG2 THR A 41 14.635 -8.387 2.887 1.00 1.14 C ATOM 368 HA THR A 41 12.939 -8.145 0.889 1.00 0.00 H ATOM 369 HB THR A 41 13.987 -6.360 3.099 1.00 0.00 H ATOM 370 HG1 THR A 41 16.044 -6.440 1.956 1.00 0.00 H ATOM 371 HG23 THR A 41 13.852 -8.779 3.536 1.00 0.00 H ATOM 372 HG21 THR A 41 14.834 -9.098 2.085 1.00 0.00 H ATOM 373 HG22 THR A 41 15.544 -8.228 3.467 1.00 0.00 H ATOM 374 H THR A 41 12.888 -5.161 0.888 1.00 0.00 H ATOM 375 N THR A 42 11.065 -6.232 2.768 1.00 0.71 N ATOM 376 CA THR A 42 9.937 -6.206 3.692 1.00 0.73 C ATOM 377 C THR A 42 8.643 -6.629 3.002 1.00 0.66 C ATOM 378 O THR A 42 8.468 -6.410 1.802 1.00 0.63 O ATOM 379 CB THR A 42 9.753 -4.804 4.306 1.00 0.84 C ATOM 380 OG1 THR A 42 9.535 -3.837 3.271 1.00 0.81 O ATOM 381 CG2 THR A 42 10.973 -4.405 5.123 1.00 1.32 C ATOM 382 HA THR A 42 10.161 -6.917 4.487 1.00 0.00 H ATOM 383 HB THR A 42 8.885 -4.835 4.965 1.00 0.00 H ATOM 384 HG1 THR A 42 10.315 -3.825 2.662 1.00 0.00 H ATOM 385 HG23 THR A 42 11.138 -5.141 5.910 1.00 0.00 H ATOM 386 HG21 THR A 42 11.847 -4.364 4.473 1.00 0.00 H ATOM 387 HG22 THR A 42 10.805 -3.425 5.570 1.00 0.00 H ATOM 388 H THR A 42 11.382 -5.343 2.332 1.00 0.00 H ATOM 389 N HIS A 43 7.737 -7.231 3.770 1.00 0.70 N ATOM 390 CA HIS A 43 6.457 -7.693 3.236 1.00 0.71 C ATOM 391 C HIS A 43 5.493 -6.531 3.024 1.00 0.67 C ATOM 392 O HIS A 43 5.688 -5.440 3.562 1.00 0.67 O ATOM 393 CB HIS A 43 5.826 -8.727 4.173 1.00 0.82 C ATOM 394 CG HIS A 43 6.565 -10.029 4.216 1.00 0.84 C ATOM 395 ND1 HIS A 43 7.485 -10.359 5.186 1.00 0.93 N ATOM 396 CD2 HIS A 43 6.505 -11.094 3.378 1.00 0.97 C ATOM 397 CE1 HIS A 43 7.947 -11.586 4.913 1.00 0.94 C ATOM 398 NE2 HIS A 43 7.384 -12.078 3.826 1.00 0.94 N ATOM 399 HA HIS A 43 6.652 -8.158 2.269 1.00 0.00 H ATOM 400 HB2 HIS A 43 5.803 -8.311 5.180 1.00 0.00 H ATOM 401 HB3 HIS A 43 4.807 -8.920 3.837 1.00 0.00 H ATOM 402 HD2 HIS A 43 5.870 -11.168 2.495 1.00 0.00 H ATOM 403 HE1 HIS A 43 8.692 -12.110 5.512 1.00 0.00 H ATOM 404 H HIS A 43 7.946 -7.377 4.778 1.00 0.00 H ATOM 405 N LEU A 44 4.446 -6.776 2.239 1.00 0.66 N ATOM 406 CA LEU A 44 3.448 -5.753 1.950 1.00 0.64 C ATOM 407 C LEU A 44 2.412 -5.658 3.064 1.00 0.63 C ATOM 408 O LEU A 44 1.508 -4.824 3.010 1.00 0.58 O ATOM 409 CB LEU A 44 2.752 -6.037 0.619 1.00 0.64 C ATOM 410 CG LEU A 44 3.662 -6.025 -0.611 1.00 0.69 C ATOM 411 CD1 LEU A 44 2.836 -6.124 -1.881 1.00 0.72 C ATOM 412 CD2 LEU A 44 4.528 -4.774 -0.630 1.00 0.68 C ATOM 413 HA LEU A 44 3.969 -4.798 1.882 1.00 0.00 H ATOM 414 HB2 LEU A 44 2.287 -7.021 0.685 1.00 0.00 H ATOM 415 HB3 LEU A 44 1.980 -5.281 0.474 1.00 0.00 H ATOM 416 HG LEU A 44 4.321 -6.892 -0.559 1.00 0.00 H ATOM 417 HD21 LEU A 44 3.889 -3.892 -0.656 1.00 0.00 H ATOM 418 HD22 LEU A 44 5.147 -4.749 0.267 1.00 0.00 H ATOM 419 HD23 LEU A 44 5.166 -4.789 -1.514 1.00 0.00 H ATOM 420 HD11 LEU A 44 2.265 -7.052 -1.870 1.00 0.00 H ATOM 421 HD12 LEU A 44 2.153 -5.276 -1.936 1.00 0.00 H ATOM 422 HD13 LEU A 44 3.499 -6.114 -2.746 1.00 0.00 H ATOM 423 H LEU A 44 4.337 -7.722 1.821 1.00 0.00 H ATOM 424 N LYS A 45 2.543 -6.521 4.069 1.00 0.68 N ATOM 425 CA LYS A 45 1.626 -6.514 5.200 1.00 0.70 C ATOM 426 C LYS A 45 1.850 -5.264 6.043 1.00 0.69 C ATOM 427 O LYS A 45 0.907 -4.699 6.594 1.00 0.69 O ATOM 428 CB LYS A 45 1.813 -7.768 6.052 1.00 0.78 C ATOM 429 CG LYS A 45 0.688 -7.990 7.047 1.00 0.82 C ATOM 430 CD LYS A 45 0.811 -9.336 7.740 1.00 0.85 C ATOM 431 CE LYS A 45 -0.352 -9.573 8.688 1.00 0.90 C ATOM 432 NZ LYS A 45 -0.311 -10.933 9.288 1.00 0.93 N ATOM 433 HA LYS A 45 0.604 -6.508 4.820 1.00 0.00 H ATOM 434 HB2 LYS A 45 1.865 -8.632 5.390 1.00 0.00 H ATOM 435 HB3 LYS A 45 2.749 -7.676 6.602 1.00 0.00 H ATOM 436 HG2 LYS A 45 0.719 -7.201 7.798 1.00 0.00 H ATOM 437 HG3 LYS A 45 -0.265 -7.950 6.519 1.00 0.00 H ATOM 438 HD2 LYS A 45 0.823 -10.124 6.987 1.00 0.00 H ATOM 439 HD3 LYS A 45 1.742 -9.361 8.306 1.00 0.00 H ATOM 440 HE2 LYS A 45 -1.285 -9.459 8.137 1.00 0.00 H ATOM 441 HE3 LYS A 45 -0.311 -8.833 9.488 1.00 0.00 H ATOM 442 HZ1 LYS A 45 -0.356 -11.646 8.532 1.00 0.00 H ATOM 443 HZ2 LYS A 45 0.574 -11.048 9.822 1.00 0.00 H ATOM 444 HZ3 LYS A 45 -1.122 -11.053 9.928 1.00 0.00 H ATOM 445 H LYS A 45 3.317 -7.215 4.046 1.00 0.00 H ATOM 446 N LYS A 46 3.109 -4.831 6.120 1.00 0.71 N ATOM 447 CA LYS A 46 3.464 -3.637 6.877 1.00 0.74 C ATOM 448 C LYS A 46 3.055 -2.386 6.107 1.00 0.64 C ATOM 449 O LYS A 46 2.775 -1.346 6.700 1.00 0.64 O ATOM 450 CB LYS A 46 4.964 -3.624 7.183 1.00 0.81 C ATOM 451 CG LYS A 46 5.377 -4.639 8.242 1.00 0.88 C ATOM 452 CD LYS A 46 4.733 -4.338 9.586 1.00 0.99 C ATOM 453 CE LYS A 46 5.098 -5.378 10.631 1.00 1.10 C ATOM 454 NZ LYS A 46 4.346 -5.173 11.901 1.00 1.27 N ATOM 455 HA LYS A 46 2.926 -3.648 7.825 1.00 0.00 H ATOM 456 HB2 LYS A 46 5.506 -3.844 6.263 1.00 0.00 H ATOM 457 HB3 LYS A 46 5.236 -2.629 7.534 1.00 0.00 H ATOM 458 HG2 LYS A 46 5.071 -5.634 7.918 1.00 0.00 H ATOM 459 HG3 LYS A 46 6.461 -4.612 8.355 1.00 0.00 H ATOM 460 HD2 LYS A 46 5.071 -3.360 9.928 1.00 0.00 H ATOM 461 HD3 LYS A 46 3.650 -4.325 9.464 1.00 0.00 H ATOM 462 HE2 LYS A 46 6.166 -5.311 10.838 1.00 0.00 H ATOM 463 HE3 LYS A 46 4.867 -6.369 10.239 1.00 0.00 H ATOM 464 HZ1 LYS A 46 4.566 -4.232 12.285 1.00 0.00 H ATOM 465 HZ2 LYS A 46 3.325 -5.242 11.713 1.00 0.00 H ATOM 466 HZ3 LYS A 46 4.623 -5.903 12.588 1.00 0.00 H ATOM 467 H LYS A 46 3.857 -5.359 5.627 1.00 0.00 H ATOM 468 N LEU A 47 3.022 -2.503 4.778 1.00 0.58 N ATOM 469 CA LEU A 47 2.607 -1.404 3.911 1.00 0.50 C ATOM 470 C LEU A 47 1.111 -1.159 4.095 1.00 0.45 C ATOM 471 O LEU A 47 0.642 -0.020 4.081 1.00 0.42 O ATOM 472 CB LEU A 47 2.921 -1.743 2.445 1.00 0.50 C ATOM 473 CG LEU A 47 1.875 -1.292 1.418 1.00 0.49 C ATOM 474 CD1 LEU A 47 2.417 -0.170 0.550 1.00 0.51 C ATOM 475 CD2 LEU A 47 1.435 -2.465 0.556 1.00 0.63 C ATOM 476 HA LEU A 47 3.154 -0.499 4.177 1.00 0.00 H ATOM 477 HB2 LEU A 47 3.869 -1.270 2.188 1.00 0.00 H ATOM 478 HB3 LEU A 47 3.023 -2.825 2.366 1.00 0.00 H ATOM 479 HG LEU A 47 1.008 -0.914 1.960 1.00 0.00 H ATOM 480 HD21 LEU A 47 2.298 -2.871 0.028 1.00 0.00 H ATOM 481 HD22 LEU A 47 1.000 -3.237 1.190 1.00 0.00 H ATOM 482 HD23 LEU A 47 0.693 -2.125 -0.166 1.00 0.00 H ATOM 483 HD11 LEU A 47 2.680 0.680 1.180 1.00 0.00 H ATOM 484 HD12 LEU A 47 3.303 -0.519 0.019 1.00 0.00 H ATOM 485 HD13 LEU A 47 1.656 0.131 -0.170 1.00 0.00 H ATOM 486 H LEU A 47 3.301 -3.407 4.346 1.00 0.00 H ATOM 487 N LYS A 48 0.378 -2.258 4.268 1.00 0.46 N ATOM 488 CA LYS A 48 -1.063 -2.219 4.477 1.00 0.44 C ATOM 489 C LYS A 48 -1.385 -1.604 5.839 1.00 0.48 C ATOM 490 O LYS A 48 -2.380 -0.899 5.991 1.00 0.48 O ATOM 491 CB LYS A 48 -1.629 -3.638 4.385 1.00 0.48 C ATOM 492 CG LYS A 48 -3.110 -3.700 4.054 1.00 0.50 C ATOM 493 CD LYS A 48 -3.574 -5.140 3.895 1.00 0.59 C ATOM 494 CE LYS A 48 -5.064 -5.225 3.609 1.00 0.65 C ATOM 495 NZ LYS A 48 -5.526 -6.637 3.505 1.00 0.77 N ATOM 496 HA LYS A 48 -1.522 -1.600 3.706 1.00 0.00 H ATOM 497 HB2 LYS A 48 -1.083 -4.174 3.609 1.00 0.00 H ATOM 498 HB3 LYS A 48 -1.472 -4.131 5.344 1.00 0.00 H ATOM 499 HG2 LYS A 48 -3.675 -3.230 4.859 1.00 0.00 H ATOM 500 HG3 LYS A 48 -3.290 -3.162 3.123 1.00 0.00 H ATOM 501 HD2 LYS A 48 -3.029 -5.597 3.069 1.00 0.00 H ATOM 502 HD3 LYS A 48 -3.360 -5.684 4.815 1.00 0.00 H ATOM 503 HE2 LYS A 48 -5.273 -4.715 2.669 1.00 0.00 H ATOM 504 HE3 LYS A 48 -5.607 -4.734 4.416 1.00 0.00 H ATOM 505 HZ1 LYS A 48 -5.016 -7.111 2.732 1.00 0.00 H ATOM 506 HZ2 LYS A 48 -5.336 -7.130 4.401 1.00 0.00 H ATOM 507 HZ3 LYS A 48 -6.547 -6.653 3.309 1.00 0.00 H ATOM 508 H LYS A 48 0.855 -3.182 4.253 1.00 0.00 H ATOM 509 N GLU A 49 -0.521 -1.878 6.820 1.00 0.55 N ATOM 510 CA GLU A 49 -0.690 -1.356 8.176 1.00 0.61 C ATOM 511 C GLU A 49 -0.433 0.148 8.223 1.00 0.61 C ATOM 512 O GLU A 49 -1.119 0.877 8.936 1.00 0.63 O ATOM 513 CB GLU A 49 0.263 -2.068 9.144 1.00 0.71 C ATOM 514 CG GLU A 49 -0.109 -3.514 9.425 1.00 0.76 C ATOM 515 CD GLU A 49 0.970 -4.256 10.192 1.00 0.85 C ATOM 516 OE1 GLU A 49 1.233 -3.888 11.357 1.00 0.95 O ATOM 517 OE2 GLU A 49 1.552 -5.206 9.629 1.00 0.89 O ATOM 518 HA GLU A 49 -1.721 -1.543 8.478 1.00 0.00 H ATOM 519 HB2 GLU A 49 1.265 -2.049 8.715 1.00 0.00 H ATOM 520 HB3 GLU A 49 0.262 -1.524 10.088 1.00 0.00 H ATOM 521 HG2 GLU A 49 -1.028 -3.531 10.011 1.00 0.00 H ATOM 522 HG3 GLU A 49 -0.275 -4.023 8.475 1.00 0.00 H ATOM 523 H GLU A 49 0.299 -2.483 6.613 1.00 0.00 H ATOM 524 N SER A 50 0.558 0.598 7.454 1.00 0.60 N ATOM 525 CA SER A 50 0.924 2.012 7.403 1.00 0.62 C ATOM 526 C SER A 50 -0.196 2.865 6.809 1.00 0.54 C ATOM 527 O SER A 50 -0.470 3.963 7.292 1.00 0.56 O ATOM 528 CB SER A 50 2.206 2.197 6.585 1.00 0.67 C ATOM 529 OG SER A 50 3.304 1.550 7.203 1.00 1.22 O ATOM 530 HA SER A 50 1.093 2.345 8.427 1.00 0.00 H ATOM 531 HB2 SER A 50 2.423 3.262 6.498 1.00 0.00 H ATOM 532 HB3 SER A 50 2.058 1.776 5.591 1.00 0.00 H ATOM 533 HG SER A 50 3.114 0.581 7.280 1.00 0.00 H ATOM 534 H SER A 50 1.089 -0.080 6.871 1.00 0.00 H ATOM 535 N TYR A 51 -0.835 2.360 5.757 1.00 0.47 N ATOM 536 CA TYR A 51 -1.922 3.083 5.104 1.00 0.41 C ATOM 537 C TYR A 51 -3.177 3.120 5.975 1.00 0.43 C ATOM 538 O TYR A 51 -3.881 4.125 6.010 1.00 0.44 O ATOM 539 CB TYR A 51 -2.246 2.450 3.746 1.00 0.38 C ATOM 540 CG TYR A 51 -3.200 3.270 2.905 1.00 0.38 C ATOM 541 CD1 TYR A 51 -2.881 4.567 2.520 1.00 0.42 C ATOM 542 CD2 TYR A 51 -4.419 2.747 2.495 1.00 0.45 C ATOM 543 CE1 TYR A 51 -3.750 5.319 1.753 1.00 0.46 C ATOM 544 CE2 TYR A 51 -5.294 3.493 1.726 1.00 0.50 C ATOM 545 CZ TYR A 51 -4.953 4.777 1.359 1.00 0.47 C ATOM 546 OH TYR A 51 -5.821 5.524 0.594 1.00 0.55 O ATOM 547 HA TYR A 51 -1.588 4.109 4.951 1.00 0.00 H ATOM 548 HB3 TYR A 51 -2.694 1.472 3.920 1.00 0.00 H ATOM 549 HB2 TYR A 51 -1.315 2.329 3.192 1.00 0.00 H ATOM 550 HD2 TYR A 51 -4.691 1.732 2.784 1.00 0.00 H ATOM 551 HE2 TYR A 51 -6.247 3.068 1.412 1.00 0.00 H ATOM 552 HE1 TYR A 51 -3.485 6.335 1.461 1.00 0.00 H ATOM 553 HD1 TYR A 51 -1.929 4.998 2.829 1.00 0.00 H ATOM 554 HH TYR A 51 -5.425 6.415 0.422 1.00 0.00 H ATOM 555 H TYR A 51 -0.553 1.428 5.391 1.00 0.00 H ATOM 556 N CYS A 52 -3.442 2.025 6.685 1.00 0.45 N ATOM 557 CA CYS A 52 -4.625 1.926 7.540 1.00 0.49 C ATOM 558 C CYS A 52 -4.545 2.848 8.760 1.00 0.56 C ATOM 559 O CYS A 52 -5.554 3.421 9.169 1.00 0.60 O ATOM 560 CB CYS A 52 -4.829 0.479 7.994 1.00 0.53 C ATOM 561 SG CYS A 52 -5.439 -0.621 6.694 1.00 0.50 S ATOM 562 HA CYS A 52 -5.478 2.249 6.943 1.00 0.00 H ATOM 563 HB2 CYS A 52 -5.549 0.475 8.813 1.00 0.00 H ATOM 564 HB3 CYS A 52 -3.874 0.093 8.350 1.00 0.00 H ATOM 565 HG CYS A 52 -4.535 -0.644 5.651 1.00 0.00 H ATOM 566 H CYS A 52 -2.789 1.217 6.630 1.00 0.00 H ATOM 567 N GLN A 53 -3.355 2.987 9.343 1.00 0.58 N ATOM 568 CA GLN A 53 -3.181 3.839 10.522 1.00 0.67 C ATOM 569 C GLN A 53 -3.131 5.323 10.148 1.00 0.67 C ATOM 570 O GLN A 53 -3.517 6.181 10.941 1.00 0.74 O ATOM 571 CB GLN A 53 -1.923 3.440 11.308 1.00 0.72 C ATOM 572 CG GLN A 53 -0.621 3.569 10.527 1.00 0.73 C ATOM 573 CD GLN A 53 0.099 4.881 10.782 1.00 0.77 C ATOM 574 OE1 GLN A 53 0.010 5.454 11.868 1.00 0.81 O ATOM 575 NE2 GLN A 53 0.813 5.367 9.775 1.00 0.82 N ATOM 576 HA GLN A 53 -4.051 3.687 11.160 1.00 0.00 H ATOM 577 HB2 GLN A 53 -1.856 4.078 12.190 1.00 0.00 H ATOM 578 HB3 GLN A 53 -2.032 2.401 11.620 1.00 0.00 H ATOM 579 HG2 GLN A 53 0.038 2.750 10.814 1.00 0.00 H ATOM 580 HG3 GLN A 53 -0.846 3.498 9.463 1.00 0.00 H ATOM 581 HE22 GLN A 53 0.861 4.850 8.874 1.00 0.00 H ATOM 582 HE21 GLN A 53 1.325 6.265 9.887 1.00 0.00 H ATOM 583 H GLN A 53 -2.534 2.481 8.954 1.00 0.00 H ATOM 584 N ARG A 54 -2.656 5.619 8.940 1.00 0.62 N ATOM 585 CA ARG A 54 -2.549 7.000 8.475 1.00 0.64 C ATOM 586 C ARG A 54 -3.829 7.448 7.762 1.00 0.64 C ATOM 587 O ARG A 54 -3.918 8.578 7.279 1.00 0.75 O ATOM 588 CB ARG A 54 -1.343 7.140 7.536 1.00 0.61 C ATOM 589 CG ARG A 54 -0.910 8.578 7.279 1.00 0.70 C ATOM 590 CD ARG A 54 -0.327 9.228 8.525 1.00 0.87 C ATOM 591 NE ARG A 54 0.928 8.601 8.936 1.00 0.98 N ATOM 592 CZ ARG A 54 1.573 8.900 10.062 1.00 1.21 C ATOM 593 NH1 ARG A 54 1.088 9.817 10.890 1.00 1.36 N ATOM 594 NH2 ARG A 54 2.710 8.284 10.360 1.00 1.36 N ATOM 595 HA ARG A 54 -2.408 7.643 9.344 1.00 0.00 H ATOM 596 HB2 ARG A 54 -0.503 6.604 7.977 1.00 0.00 H ATOM 597 HB3 ARG A 54 -1.600 6.685 6.580 1.00 0.00 H ATOM 598 HG2 ARG A 54 -0.155 8.584 6.493 1.00 0.00 H ATOM 599 HG3 ARG A 54 -1.776 9.154 6.954 1.00 0.00 H ATOM 600 HD2 ARG A 54 -1.047 9.139 9.338 1.00 0.00 H ATOM 601 HD3 ARG A 54 -0.142 10.282 8.318 1.00 0.00 H ATOM 602 HE ARG A 54 1.341 7.879 8.312 1.00 0.00 H ATOM 603 HH12 ARG A 54 1.597 10.046 11.768 1.00 0.00 H ATOM 604 HH11 ARG A 54 0.199 10.307 10.661 1.00 0.00 H ATOM 605 HH22 ARG A 54 3.213 8.518 11.240 1.00 0.00 H ATOM 606 HH21 ARG A 54 3.098 7.567 9.714 1.00 0.00 H ATOM 607 H ARG A 54 -2.353 4.848 8.311 1.00 0.00 H ATOM 608 N GLN A 55 -4.825 6.569 7.710 1.00 0.59 N ATOM 609 CA GLN A 55 -6.079 6.893 7.041 1.00 0.62 C ATOM 610 C GLN A 55 -7.289 6.640 7.938 1.00 0.68 C ATOM 611 O GLN A 55 -8.388 7.111 7.638 1.00 0.71 O ATOM 612 CB GLN A 55 -6.213 6.068 5.755 1.00 0.57 C ATOM 613 CG GLN A 55 -7.065 6.724 4.680 1.00 0.63 C ATOM 614 CD GLN A 55 -6.425 7.973 4.106 1.00 0.64 C ATOM 615 OE1 GLN A 55 -5.624 7.900 3.175 1.00 0.60 O ATOM 616 NE2 GLN A 55 -6.781 9.128 4.655 1.00 0.76 N ATOM 617 HA GLN A 55 -6.057 7.956 6.802 1.00 0.00 H ATOM 618 HB2 GLN A 55 -5.215 5.904 5.348 1.00 0.00 H ATOM 619 HB3 GLN A 55 -6.662 5.108 6.009 1.00 0.00 H ATOM 620 HG2 GLN A 55 -7.219 6.008 3.872 1.00 0.00 H ATOM 621 HG3 GLN A 55 -8.028 6.993 5.114 1.00 0.00 H ATOM 622 HE22 GLN A 55 -7.462 9.142 5.441 1.00 0.00 H ATOM 623 HE21 GLN A 55 -6.379 10.019 4.299 1.00 0.00 H ATOM 624 H GLN A 55 -4.708 5.636 8.154 1.00 0.00 H ATOM 625 N GLY A 56 -7.094 5.916 9.044 1.00 0.71 N ATOM 626 CA GLY A 56 -8.219 5.616 9.916 1.00 0.78 C ATOM 627 C GLY A 56 -9.264 4.713 9.290 1.00 0.77 C ATOM 628 O GLY A 56 -10.434 5.075 9.217 1.00 0.82 O ATOM 629 HA3 GLY A 56 -8.699 6.555 10.192 1.00 0.00 H ATOM 630 HA2 GLY A 56 -7.837 5.128 10.812 1.00 0.00 H ATOM 631 H GLY A 56 -6.143 5.569 9.280 1.00 0.00 H ATOM 632 N VAL A 57 -8.848 3.530 8.854 1.00 0.73 N ATOM 633 CA VAL A 57 -9.752 2.581 8.212 1.00 0.74 C ATOM 634 C VAL A 57 -9.311 1.145 8.491 1.00 0.73 C ATOM 635 O VAL A 57 -8.187 0.774 8.175 1.00 0.68 O ATOM 636 CB VAL A 57 -9.759 2.792 6.688 1.00 0.68 C ATOM 637 CG1 VAL A 57 -10.604 1.732 6.018 1.00 0.71 C ATOM 638 CG2 VAL A 57 -10.284 4.177 6.358 1.00 0.71 C ATOM 639 HA VAL A 57 -10.749 2.749 8.618 1.00 0.00 H ATOM 640 HB VAL A 57 -8.739 2.707 6.314 1.00 0.00 H ATOM 641 HG11 VAL A 57 -10.193 0.747 6.241 1.00 0.00 H ATOM 642 HG12 VAL A 57 -11.626 1.794 6.392 1.00 0.00 H ATOM 643 HG13 VAL A 57 -10.600 1.894 4.940 1.00 0.00 H ATOM 644 HG21 VAL A 57 -11.300 4.279 6.739 1.00 0.00 H ATOM 645 HG22 VAL A 57 -9.643 4.927 6.821 1.00 0.00 H ATOM 646 HG23 VAL A 57 -10.285 4.316 5.277 1.00 0.00 H ATOM 647 H VAL A 57 -7.848 3.272 8.974 1.00 0.00 H ATOM 648 N PRO A 58 -10.201 0.316 9.062 1.00 0.80 N ATOM 649 CA PRO A 58 -9.870 -1.081 9.370 1.00 0.82 C ATOM 650 C PRO A 58 -9.201 -1.857 8.233 1.00 0.76 C ATOM 651 O PRO A 58 -9.592 -1.746 7.072 1.00 0.73 O ATOM 652 CB PRO A 58 -11.218 -1.674 9.780 1.00 0.91 C ATOM 653 CG PRO A 58 -12.209 -0.811 9.070 1.00 0.90 C ATOM 654 CD PRO A 58 -11.633 0.561 9.276 1.00 0.87 C ATOM 655 HA PRO A 58 -9.109 -1.145 10.147 1.00 0.00 H ATOM 656 HD3 PRO A 58 -12.028 1.272 8.550 1.00 0.00 H ATOM 657 HD2 PRO A 58 -11.828 0.927 10.284 1.00 0.00 H ATOM 658 HG3 PRO A 58 -13.200 -0.896 9.516 1.00 0.00 H ATOM 659 HG2 PRO A 58 -12.266 -1.062 8.011 1.00 0.00 H ATOM 660 HB2 PRO A 58 -11.302 -2.712 9.457 1.00 0.00 H ATOM 661 HB3 PRO A 58 -11.356 -1.619 10.860 1.00 0.00 H ATOM 662 N MET A 59 -8.190 -2.644 8.597 1.00 0.76 N ATOM 663 CA MET A 59 -7.416 -3.455 7.658 1.00 0.72 C ATOM 664 C MET A 59 -8.256 -4.109 6.558 1.00 0.73 C ATOM 665 O MET A 59 -7.799 -4.275 5.421 1.00 0.69 O ATOM 666 CB MET A 59 -6.666 -4.545 8.433 1.00 0.77 C ATOM 667 CG MET A 59 -5.589 -5.285 7.645 1.00 0.74 C ATOM 668 SD MET A 59 -4.127 -4.266 7.360 1.00 0.66 S ATOM 669 CE MET A 59 -3.768 -3.733 9.054 1.00 0.73 C ATOM 670 HA MET A 59 -6.728 -2.774 7.157 1.00 0.00 H ATOM 671 HB2 MET A 59 -6.191 -4.078 9.296 1.00 0.00 H ATOM 672 HB3 MET A 59 -7.397 -5.278 8.775 1.00 0.00 H ATOM 673 HG2 MET A 59 -6.002 -5.583 6.681 1.00 0.00 H ATOM 674 HG3 MET A 59 -5.294 -6.174 8.203 1.00 0.00 H ATOM 675 HE1 MET A 59 -4.621 -3.180 9.448 1.00 0.00 H ATOM 676 HE2 MET A 59 -3.581 -4.608 9.677 1.00 0.00 H ATOM 677 HE3 MET A 59 -2.887 -3.091 9.053 1.00 0.00 H ATOM 678 H MET A 59 -7.937 -2.684 9.605 1.00 0.00 H ATOM 679 N ASN A 60 -9.485 -4.483 6.903 1.00 0.80 N ATOM 680 CA ASN A 60 -10.391 -5.138 5.966 1.00 0.84 C ATOM 681 C ASN A 60 -11.092 -4.159 5.037 1.00 0.82 C ATOM 682 O ASN A 60 -11.006 -4.278 3.817 1.00 0.80 O ATOM 683 CB ASN A 60 -11.448 -5.941 6.729 1.00 0.93 C ATOM 684 CG ASN A 60 -12.313 -5.068 7.625 1.00 0.96 C ATOM 685 OD1 ASN A 60 -11.830 -4.475 8.588 1.00 0.95 O ATOM 686 ND2 ASN A 60 -13.601 -4.982 7.301 1.00 1.01 N ATOM 687 HA ASN A 60 -9.777 -5.797 5.352 1.00 0.00 H ATOM 688 HB2 ASN A 60 -12.091 -6.446 6.008 1.00 0.00 H ATOM 689 HB3 ASN A 60 -10.944 -6.684 7.347 1.00 0.00 H ATOM 690 HD22 ASN A 60 -13.966 -5.502 6.477 1.00 0.00 H ATOM 691 HD21 ASN A 60 -14.243 -4.395 7.872 1.00 0.00 H ATOM 692 H ASN A 60 -9.811 -4.302 7.874 1.00 0.00 H ATOM 693 N SER A 61 -11.792 -3.201 5.635 1.00 0.84 N ATOM 694 CA SER A 61 -12.547 -2.187 4.913 1.00 0.84 C ATOM 695 C SER A 61 -12.119 -1.965 3.464 1.00 0.80 C ATOM 696 O SER A 61 -12.967 -1.828 2.588 1.00 0.85 O ATOM 697 CB SER A 61 -12.488 -0.860 5.680 1.00 0.83 C ATOM 698 OG SER A 61 -13.342 0.124 5.111 1.00 0.85 O ATOM 699 HA SER A 61 -13.566 -2.569 4.856 1.00 0.00 H ATOM 700 HB2 SER A 61 -11.463 -0.489 5.663 1.00 0.00 H ATOM 701 HB3 SER A 61 -12.792 -1.036 6.712 1.00 0.00 H ATOM 702 HG SER A 61 -13.273 0.961 5.635 1.00 0.00 H ATOM 703 H SER A 61 -11.801 -3.174 6.675 1.00 0.00 H ATOM 704 N LEU A 62 -10.818 -1.940 3.200 1.00 0.73 N ATOM 705 CA LEU A 62 -10.345 -1.708 1.839 1.00 0.70 C ATOM 706 C LEU A 62 -9.952 -2.976 1.081 1.00 0.72 C ATOM 707 O LEU A 62 -10.357 -4.082 1.432 1.00 0.77 O ATOM 708 CB LEU A 62 -9.148 -0.759 1.863 1.00 0.62 C ATOM 709 CG LEU A 62 -9.225 0.442 2.804 1.00 0.61 C ATOM 710 CD1 LEU A 62 -7.961 1.263 2.642 1.00 0.53 C ATOM 711 CD2 LEU A 62 -10.458 1.279 2.504 1.00 0.67 C ATOM 712 HA LEU A 62 -11.191 -1.275 1.305 1.00 0.00 H ATOM 713 HB2 LEU A 62 -8.273 -1.343 2.148 1.00 0.00 H ATOM 714 HB3 LEU A 62 -9.014 -0.375 0.852 1.00 0.00 H ATOM 715 HG LEU A 62 -9.307 0.099 3.835 1.00 0.00 H ATOM 716 HD21 LEU A 62 -10.411 1.638 1.476 1.00 0.00 H ATOM 717 HD22 LEU A 62 -11.351 0.668 2.636 1.00 0.00 H ATOM 718 HD23 LEU A 62 -10.493 2.129 3.186 1.00 0.00 H ATOM 719 HD11 LEU A 62 -7.096 0.649 2.892 1.00 0.00 H ATOM 720 HD12 LEU A 62 -7.880 1.603 1.610 1.00 0.00 H ATOM 721 HD13 LEU A 62 -8.001 2.125 3.308 1.00 0.00 H ATOM 722 H LEU A 62 -10.132 -2.087 3.968 1.00 0.00 H ATOM 723 N ARG A 63 -9.162 -2.781 0.028 1.00 0.69 N ATOM 724 CA ARG A 63 -8.653 -3.855 -0.824 1.00 0.72 C ATOM 725 C ARG A 63 -7.630 -3.210 -1.757 1.00 0.69 C ATOM 726 O ARG A 63 -7.900 -2.151 -2.329 1.00 0.70 O ATOM 727 CB ARG A 63 -9.778 -4.483 -1.651 1.00 0.82 C ATOM 728 CG ARG A 63 -9.290 -5.489 -2.683 1.00 0.86 C ATOM 729 CD ARG A 63 -10.377 -5.856 -3.689 1.00 0.95 C ATOM 730 NE ARG A 63 -11.370 -6.791 -3.158 1.00 1.01 N ATOM 731 CZ ARG A 63 -12.402 -7.256 -3.860 1.00 1.10 C ATOM 732 NH1 ARG A 63 -12.579 -6.866 -5.117 1.00 1.14 N ATOM 733 NH2 ARG A 63 -13.250 -8.118 -3.313 1.00 1.14 N ATOM 734 HA ARG A 63 -8.214 -4.649 -0.220 1.00 0.00 H ATOM 735 HB2 ARG A 63 -10.463 -4.991 -0.972 1.00 0.00 H ATOM 736 HB3 ARG A 63 -10.309 -3.686 -2.171 1.00 0.00 H ATOM 737 HG2 ARG A 63 -8.445 -5.059 -3.220 1.00 0.00 H ATOM 738 HG3 ARG A 63 -8.969 -6.394 -2.167 1.00 0.00 H ATOM 739 HD2 ARG A 63 -9.904 -6.312 -4.559 1.00 0.00 H ATOM 740 HD3 ARG A 63 -10.889 -4.943 -3.993 1.00 0.00 H ATOM 741 HE ARG A 63 -11.263 -7.111 -2.174 1.00 0.00 H ATOM 742 HH12 ARG A 63 -13.385 -7.229 -5.665 1.00 0.00 H ATOM 743 HH11 ARG A 63 -11.912 -6.198 -5.553 1.00 0.00 H ATOM 744 HH22 ARG A 63 -14.054 -8.478 -3.865 1.00 0.00 H ATOM 745 HH21 ARG A 63 -13.110 -8.433 -2.332 1.00 0.00 H ATOM 746 H ARG A 63 -8.890 -1.804 -0.203 1.00 0.00 H ATOM 747 N PHE A 64 -6.466 -3.835 -1.907 1.00 0.66 N ATOM 748 CA PHE A 64 -5.411 -3.284 -2.758 1.00 0.64 C ATOM 749 C PHE A 64 -5.157 -4.158 -3.978 1.00 0.72 C ATOM 750 O PHE A 64 -5.196 -5.383 -3.886 1.00 0.75 O ATOM 751 CB PHE A 64 -4.119 -3.131 -1.950 1.00 0.56 C ATOM 752 CG PHE A 64 -4.297 -2.384 -0.659 1.00 0.50 C ATOM 753 CD1 PHE A 64 -5.059 -2.921 0.376 1.00 0.51 C ATOM 754 CD2 PHE A 64 -3.724 -1.132 -0.481 1.00 0.44 C ATOM 755 CE1 PHE A 64 -5.254 -2.222 1.566 1.00 0.48 C ATOM 756 CE2 PHE A 64 -3.912 -0.425 0.705 1.00 0.40 C ATOM 757 CZ PHE A 64 -4.680 -0.972 1.729 1.00 0.42 C ATOM 758 HA PHE A 64 -5.743 -2.308 -3.111 1.00 0.00 H ATOM 759 HB2 PHE A 64 -3.736 -4.126 -1.722 1.00 0.00 H ATOM 760 HB3 PHE A 64 -3.393 -2.595 -2.561 1.00 0.00 H ATOM 761 HD2 PHE A 64 -3.120 -0.697 -1.278 1.00 0.00 H ATOM 762 HE2 PHE A 64 -3.457 0.558 0.831 1.00 0.00 H ATOM 763 HZ PHE A 64 -4.829 -0.418 2.656 1.00 0.00 H ATOM 764 HE1 PHE A 64 -5.855 -2.657 2.364 1.00 0.00 H ATOM 765 HD1 PHE A 64 -5.511 -3.905 0.253 1.00 0.00 H ATOM 766 H PHE A 64 -6.302 -4.733 -1.409 1.00 0.00 H ATOM 767 N LEU A 65 -4.886 -3.527 -5.116 1.00 0.75 N ATOM 768 CA LEU A 65 -4.648 -4.263 -6.354 1.00 0.83 C ATOM 769 C LEU A 65 -3.379 -3.845 -7.093 1.00 0.84 C ATOM 770 O LEU A 65 -2.844 -2.754 -6.878 1.00 0.80 O ATOM 771 CB LEU A 65 -5.836 -4.088 -7.301 1.00 0.92 C ATOM 772 CG LEU A 65 -7.248 -4.265 -6.742 1.00 0.93 C ATOM 773 CD1 LEU A 65 -8.248 -4.015 -7.859 1.00 1.03 C ATOM 774 CD2 LEU A 65 -7.420 -5.662 -6.164 1.00 0.94 C ATOM 775 HA LEU A 65 -4.521 -5.304 -6.056 1.00 0.00 H ATOM 776 HB2 LEU A 65 -5.776 -3.079 -7.710 1.00 0.00 H ATOM 777 HB3 LEU A 65 -5.715 -4.813 -8.106 1.00 0.00 H ATOM 778 HG LEU A 65 -7.419 -3.551 -5.936 1.00 0.00 H ATOM 779 HD21 LEU A 65 -7.253 -6.401 -6.948 1.00 0.00 H ATOM 780 HD22 LEU A 65 -6.699 -5.813 -5.361 1.00 0.00 H ATOM 781 HD23 LEU A 65 -8.431 -5.769 -5.771 1.00 0.00 H ATOM 782 HD11 LEU A 65 -8.123 -3.000 -8.237 1.00 0.00 H ATOM 783 HD12 LEU A 65 -8.076 -4.728 -8.665 1.00 0.00 H ATOM 784 HD13 LEU A 65 -9.260 -4.138 -7.473 1.00 0.00 H ATOM 785 H LEU A 65 -4.843 -2.488 -5.125 1.00 0.00 H ATOM 786 N PHE A 66 -2.917 -4.729 -7.972 1.00 0.91 N ATOM 787 CA PHE A 66 -1.733 -4.487 -8.790 1.00 0.94 C ATOM 788 C PHE A 66 -1.889 -5.267 -10.095 1.00 1.04 C ATOM 789 O PHE A 66 -2.425 -6.377 -10.099 1.00 1.07 O ATOM 790 CB PHE A 66 -0.468 -4.934 -8.057 1.00 0.89 C ATOM 791 CG PHE A 66 0.786 -4.724 -8.849 1.00 0.93 C ATOM 792 CD1 PHE A 66 1.111 -3.464 -9.334 1.00 0.94 C ATOM 793 CD2 PHE A 66 1.636 -5.789 -9.129 1.00 0.97 C ATOM 794 CE1 PHE A 66 2.263 -3.265 -10.094 1.00 0.99 C ATOM 795 CE2 PHE A 66 2.792 -5.602 -9.889 1.00 1.02 C ATOM 796 CZ PHE A 66 3.104 -4.337 -10.372 1.00 1.03 C ATOM 797 HA PHE A 66 -1.638 -3.421 -8.995 1.00 0.00 H ATOM 798 HB2 PHE A 66 -0.389 -4.369 -7.128 1.00 0.00 H ATOM 799 HB3 PHE A 66 -0.558 -5.996 -7.828 1.00 0.00 H ATOM 800 HD2 PHE A 66 1.396 -6.782 -8.750 1.00 0.00 H ATOM 801 HE2 PHE A 66 3.448 -6.446 -10.103 1.00 0.00 H ATOM 802 HZ PHE A 66 4.005 -4.186 -10.967 1.00 0.00 H ATOM 803 HE1 PHE A 66 2.504 -2.271 -10.470 1.00 0.00 H ATOM 804 HD1 PHE A 66 0.457 -2.619 -9.118 1.00 0.00 H ATOM 805 H PHE A 66 -3.421 -5.632 -8.081 1.00 0.00 H ATOM 806 N GLU A 67 -1.424 -4.687 -11.199 1.00 1.10 N ATOM 807 CA GLU A 67 -1.544 -5.329 -12.505 1.00 1.20 C ATOM 808 C GLU A 67 -2.983 -5.802 -12.683 1.00 1.24 C ATOM 809 O GLU A 67 -3.249 -6.797 -13.360 1.00 1.30 O ATOM 810 CB GLU A 67 -0.596 -6.527 -12.616 1.00 1.22 C ATOM 811 CG GLU A 67 0.882 -6.178 -12.758 1.00 1.21 C ATOM 812 CD GLU A 67 1.767 -7.415 -12.904 1.00 1.25 C ATOM 813 OE1 GLU A 67 1.786 -8.252 -11.975 1.00 1.21 O ATOM 814 OE2 GLU A 67 2.445 -7.551 -13.949 1.00 1.32 O ATOM 815 HA GLU A 67 -1.277 -4.611 -13.281 1.00 0.00 H ATOM 816 HB2 GLU A 67 -0.714 -7.134 -11.719 1.00 0.00 H ATOM 817 HB3 GLU A 67 -0.890 -7.110 -13.489 1.00 0.00 H ATOM 818 HG2 GLU A 67 1.010 -5.551 -13.640 1.00 0.00 H ATOM 819 HG3 GLU A 67 1.197 -5.626 -11.873 1.00 0.00 H ATOM 820 H GLU A 67 -0.965 -3.756 -11.130 1.00 0.00 H ATOM 821 N GLY A 68 -3.911 -5.084 -12.061 1.00 1.20 N ATOM 822 CA GLY A 68 -5.306 -5.453 -12.156 1.00 1.24 C ATOM 823 C GLY A 68 -5.690 -6.486 -11.116 1.00 1.20 C ATOM 824 O GLY A 68 -6.723 -6.353 -10.460 1.00 1.18 O ATOM 825 HA3 GLY A 68 -5.495 -5.864 -13.148 1.00 0.00 H ATOM 826 HA2 GLY A 68 -5.917 -4.562 -12.011 1.00 0.00 H ATOM 827 H GLY A 68 -3.633 -4.252 -11.503 1.00 0.00 H ATOM 828 N GLN A 69 -4.859 -7.514 -10.951 1.00 1.20 N ATOM 829 CA GLN A 69 -5.151 -8.565 -9.980 1.00 1.17 C ATOM 830 C GLN A 69 -4.864 -8.186 -8.530 1.00 1.07 C ATOM 831 O GLN A 69 -3.957 -7.403 -8.239 1.00 1.01 O ATOM 832 CB GLN A 69 -4.406 -9.853 -10.348 1.00 1.22 C ATOM 833 CG GLN A 69 -4.932 -10.510 -11.619 1.00 1.32 C ATOM 834 CD GLN A 69 -4.482 -11.951 -11.777 1.00 1.37 C ATOM 835 OE1 GLN A 69 -3.288 -12.241 -11.820 1.00 1.36 O ATOM 836 NE2 GLN A 69 -5.446 -12.863 -11.868 1.00 1.43 N ATOM 837 HA GLN A 69 -6.228 -8.722 -10.036 1.00 0.00 H ATOM 838 HB2 GLN A 69 -3.352 -9.615 -10.492 1.00 0.00 H ATOM 839 HB3 GLN A 69 -4.508 -10.560 -9.525 1.00 0.00 H ATOM 840 HG2 GLN A 69 -6.022 -10.487 -11.596 1.00 0.00 H ATOM 841 HG3 GLN A 69 -4.576 -9.940 -12.477 1.00 0.00 H ATOM 842 HE22 GLN A 69 -6.443 -12.571 -11.827 1.00 0.00 H ATOM 843 HE21 GLN A 69 -5.202 -13.868 -11.980 1.00 0.00 H ATOM 844 H GLN A 69 -3.991 -7.569 -11.521 1.00 0.00 H ATOM 845 N ARG A 70 -5.654 -8.763 -7.630 1.00 1.06 N ATOM 846 CA ARG A 70 -5.551 -8.513 -6.199 1.00 0.98 C ATOM 847 C ARG A 70 -4.147 -8.710 -5.639 1.00 0.93 C ATOM 848 O ARG A 70 -3.268 -9.252 -6.309 1.00 0.97 O ATOM 849 CB ARG A 70 -6.539 -9.412 -5.457 1.00 1.01 C ATOM 850 CG ARG A 70 -6.736 -9.061 -4.006 1.00 0.94 C ATOM 851 CD ARG A 70 -8.035 -9.643 -3.501 1.00 0.99 C ATOM 852 NE ARG A 70 -8.410 -9.082 -2.208 1.00 0.94 N ATOM 853 CZ ARG A 70 -9.612 -9.212 -1.657 1.00 0.98 C ATOM 854 NH1 ARG A 70 -10.562 -9.889 -2.292 1.00 1.06 N ATOM 855 NH2 ARG A 70 -9.869 -8.660 -0.477 1.00 0.94 N ATOM 856 HA ARG A 70 -5.792 -7.461 -6.046 1.00 0.00 H ATOM 857 HB2 ARG A 70 -7.505 -9.343 -5.958 1.00 0.00 H ATOM 858 HB3 ARG A 70 -6.174 -10.438 -5.513 1.00 0.00 H ATOM 859 HG2 ARG A 70 -5.909 -9.465 -3.422 1.00 0.00 H ATOM 860 HG3 ARG A 70 -6.761 -7.977 -3.898 1.00 0.00 H ATOM 861 HD2 ARG A 70 -7.923 -10.722 -3.399 1.00 0.00 H ATOM 862 HD3 ARG A 70 -8.823 -9.427 -4.222 1.00 0.00 H ATOM 863 HE ARG A 70 -7.690 -8.545 -1.683 1.00 0.00 H ATOM 864 HH12 ARG A 70 -11.503 -9.992 -1.862 1.00 0.00 H ATOM 865 HH11 ARG A 70 -10.365 -10.317 -3.219 1.00 0.00 H ATOM 866 HH22 ARG A 70 -10.811 -8.764 -0.049 1.00 0.00 H ATOM 867 HH21 ARG A 70 -9.128 -8.124 0.019 1.00 0.00 H ATOM 868 H ARG A 70 -6.382 -9.426 -7.965 1.00 0.00 H ATOM 869 N ILE A 71 -3.943 -8.260 -4.404 1.00 0.85 N ATOM 870 CA ILE A 71 -2.648 -8.374 -3.744 1.00 0.81 C ATOM 871 C ILE A 71 -2.703 -9.239 -2.488 1.00 0.81 C ATOM 872 O ILE A 71 -3.504 -8.996 -1.580 1.00 0.79 O ATOM 873 CB ILE A 71 -2.084 -6.988 -3.362 1.00 0.73 C ATOM 874 CG1 ILE A 71 -1.656 -6.240 -4.626 1.00 0.75 C ATOM 875 CG2 ILE A 71 -0.914 -7.142 -2.404 1.00 0.69 C ATOM 876 CD1 ILE A 71 -1.078 -4.862 -4.363 1.00 0.68 C ATOM 877 HA ILE A 71 -1.991 -8.854 -4.470 1.00 0.00 H ATOM 878 HB ILE A 71 -2.860 -6.410 -2.860 1.00 0.00 H ATOM 879 HG12 ILE A 71 -0.901 -6.836 -5.138 1.00 0.00 H ATOM 880 HG13 ILE A 71 -2.528 -6.129 -5.270 1.00 0.00 H ATOM 881 HD11 ILE A 71 -1.824 -4.246 -3.862 1.00 0.00 H ATOM 882 HD12 ILE A 71 -0.196 -4.954 -3.729 1.00 0.00 H ATOM 883 HD13 ILE A 71 -0.800 -4.399 -5.310 1.00 0.00 H ATOM 884 HG21 ILE A 71 -1.250 -7.652 -1.501 1.00 0.00 H ATOM 885 HG22 ILE A 71 -0.129 -7.727 -2.883 1.00 0.00 H ATOM 886 HG23 ILE A 71 -0.527 -6.157 -2.144 1.00 0.00 H ATOM 887 H ILE A 71 -4.731 -7.813 -3.894 1.00 0.00 H ATOM 888 N ALA A 72 -1.833 -10.247 -2.455 1.00 0.85 N ATOM 889 CA ALA A 72 -1.743 -11.172 -1.331 1.00 0.88 C ATOM 890 C ALA A 72 -1.260 -10.428 -0.101 1.00 0.82 C ATOM 891 O ALA A 72 -0.543 -9.434 -0.206 1.00 0.77 O ATOM 892 CB ALA A 72 -0.785 -12.320 -1.659 1.00 0.95 C ATOM 893 HA ALA A 72 -2.730 -11.591 -1.137 1.00 0.00 H ATOM 894 HB1 ALA A 72 -1.151 -12.858 -2.534 1.00 0.00 H ATOM 895 HB2 ALA A 72 0.206 -11.916 -1.867 1.00 0.00 H ATOM 896 HB3 ALA A 72 -0.730 -13.000 -0.809 1.00 0.00 H ATOM 897 H ALA A 72 -1.192 -10.380 -3.263 1.00 0.00 H ATOM 898 N ASP A 73 -1.651 -10.921 1.066 1.00 0.85 N ATOM 899 CA ASP A 73 -1.268 -10.305 2.322 1.00 0.81 C ATOM 900 C ASP A 73 0.204 -10.570 2.651 1.00 0.84 C ATOM 901 O ASP A 73 0.823 -9.830 3.417 1.00 0.81 O ATOM 902 CB ASP A 73 -2.164 -10.840 3.435 1.00 0.86 C ATOM 903 CG ASP A 73 -2.249 -9.899 4.608 1.00 0.83 C ATOM 904 OD1 ASP A 73 -2.659 -8.736 4.402 1.00 0.76 O ATOM 905 OD2 ASP A 73 -1.911 -10.324 5.734 1.00 0.88 O ATOM 906 HA ASP A 73 -1.393 -9.226 2.233 1.00 0.00 H ATOM 907 HB2 ASP A 73 -3.166 -10.992 3.035 1.00 0.00 H ATOM 908 HB3 ASP A 73 -1.763 -11.793 3.779 1.00 0.00 H ATOM 909 H ASP A 73 -2.248 -11.772 1.081 1.00 0.00 H ATOM 910 N ASN A 74 0.756 -11.627 2.062 1.00 0.90 N ATOM 911 CA ASN A 74 2.153 -12.005 2.275 1.00 0.94 C ATOM 912 C ASN A 74 3.005 -11.620 1.077 1.00 0.92 C ATOM 913 O ASN A 74 4.215 -11.837 1.068 1.00 0.95 O ATOM 914 CB ASN A 74 2.262 -13.510 2.515 1.00 1.03 C ATOM 915 CG ASN A 74 1.692 -13.927 3.854 1.00 1.07 C ATOM 916 OD1 ASN A 74 1.509 -15.116 4.120 1.00 1.14 O ATOM 917 ND2 ASN A 74 1.416 -12.949 4.710 1.00 1.02 N ATOM 918 HA ASN A 74 2.518 -11.471 3.152 1.00 0.00 H ATOM 919 HB2 ASN A 74 1.719 -14.030 1.726 1.00 0.00 H ATOM 920 HB3 ASN A 74 3.314 -13.795 2.479 1.00 0.00 H ATOM 921 HD22 ASN A 74 1.587 -11.959 4.441 1.00 0.00 H ATOM 922 HD21 ASN A 74 1.029 -13.173 5.649 1.00 0.00 H ATOM 923 H ASN A 74 0.172 -12.207 1.426 1.00 0.00 H ATOM 924 N HIS A 75 2.357 -11.048 0.067 1.00 0.88 N ATOM 925 CA HIS A 75 3.029 -10.616 -1.154 1.00 0.87 C ATOM 926 C HIS A 75 4.216 -9.695 -0.857 1.00 0.84 C ATOM 927 O HIS A 75 4.393 -9.239 0.273 1.00 0.82 O ATOM 928 CB HIS A 75 2.034 -9.880 -2.059 1.00 0.83 C ATOM 929 CG HIS A 75 1.914 -10.465 -3.431 1.00 0.89 C ATOM 930 ND1 HIS A 75 3.002 -10.653 -4.258 1.00 0.94 N ATOM 931 CD2 HIS A 75 0.837 -10.908 -4.121 1.00 0.93 C ATOM 932 CE1 HIS A 75 2.598 -11.190 -5.396 1.00 1.00 C ATOM 933 NE2 HIS A 75 1.288 -11.355 -5.337 1.00 0.99 N ATOM 934 HA HIS A 75 3.409 -11.507 -1.654 1.00 0.00 H ATOM 935 HB2 HIS A 75 1.052 -9.910 -1.586 1.00 0.00 H ATOM 936 HB3 HIS A 75 2.358 -8.844 -2.155 1.00 0.00 H ATOM 937 HD2 HIS A 75 -0.197 -10.909 -3.775 1.00 0.00 H ATOM 938 HE1 HIS A 75 3.236 -11.452 -6.240 1.00 0.00 H ATOM 939 H HIS A 75 1.331 -10.903 0.150 1.00 0.00 H ATOM 940 N THR A 76 5.016 -9.430 -1.887 1.00 0.86 N ATOM 941 CA THR A 76 6.188 -8.565 -1.793 1.00 0.86 C ATOM 942 C THR A 76 6.767 -8.523 -3.193 1.00 0.90 C ATOM 943 O THR A 76 6.687 -9.514 -3.911 1.00 0.95 O ATOM 944 CB THR A 76 7.261 -9.138 -0.837 1.00 0.91 C ATOM 945 OG1 THR A 76 6.757 -9.151 0.504 1.00 0.89 O ATOM 946 CG2 THR A 76 8.529 -8.295 -0.878 1.00 0.92 C ATOM 947 HA THR A 76 5.903 -7.587 -1.406 1.00 0.00 H ATOM 948 HB THR A 76 7.497 -10.152 -1.160 1.00 0.00 H ATOM 949 HG1 THR A 76 5.945 -9.716 0.545 1.00 0.00 H ATOM 950 HG23 THR A 76 8.920 -8.279 -1.895 1.00 0.00 H ATOM 951 HG21 THR A 76 8.298 -7.278 -0.560 1.00 0.00 H ATOM 952 HG22 THR A 76 9.273 -8.727 -0.208 1.00 0.00 H ATOM 953 H THR A 76 4.795 -9.862 -2.807 1.00 0.00 H ATOM 954 N PRO A 77 7.345 -7.378 -3.607 1.00 0.88 N ATOM 955 CA PRO A 77 7.933 -7.255 -4.946 1.00 0.94 C ATOM 956 C PRO A 77 8.799 -8.466 -5.273 1.00 1.02 C ATOM 957 O PRO A 77 9.198 -8.679 -6.420 1.00 1.08 O ATOM 958 CB PRO A 77 8.737 -5.966 -4.846 1.00 0.93 C ATOM 959 CG PRO A 77 7.879 -5.135 -3.965 1.00 0.84 C ATOM 960 CD PRO A 77 7.471 -6.107 -2.870 1.00 0.83 C ATOM 961 HA PRO A 77 7.199 -7.222 -5.751 1.00 0.00 H ATOM 962 HD3 PRO A 77 8.236 -6.173 -2.096 1.00 0.00 H ATOM 963 HD2 PRO A 77 6.523 -5.817 -2.418 1.00 0.00 H ATOM 964 HG3 PRO A 77 7.008 -4.763 -4.504 1.00 0.00 H ATOM 965 HG2 PRO A 77 8.437 -4.294 -3.554 1.00 0.00 H ATOM 966 HB2 PRO A 77 9.714 -6.142 -4.396 1.00 0.00 H ATOM 967 HB3 PRO A 77 8.867 -5.503 -5.824 1.00 0.00 H ATOM 968 N LYS A 78 9.084 -9.250 -4.237 1.00 1.03 N ATOM 969 CA LYS A 78 9.866 -10.470 -4.356 1.00 1.11 C ATOM 970 C LYS A 78 9.084 -11.398 -5.280 1.00 1.14 C ATOM 971 O LYS A 78 9.643 -12.304 -5.899 1.00 1.21 O ATOM 972 CB LYS A 78 10.027 -11.111 -2.973 1.00 1.12 C ATOM 973 CG LYS A 78 10.766 -12.442 -2.956 1.00 1.20 C ATOM 974 CD LYS A 78 10.770 -13.041 -1.553 1.00 1.22 C ATOM 975 CE LYS A 78 11.404 -14.423 -1.533 1.00 1.31 C ATOM 976 NZ LYS A 78 11.326 -15.053 -0.183 1.00 1.33 N ATOM 977 HA LYS A 78 10.861 -10.273 -4.754 1.00 0.00 H ATOM 978 HB2 LYS A 78 10.575 -10.413 -2.340 1.00 0.00 H ATOM 979 HB3 LYS A 78 9.032 -11.272 -2.558 1.00 0.00 H ATOM 980 HG2 LYS A 78 10.273 -13.134 -3.639 1.00 0.00 H ATOM 981 HG3 LYS A 78 11.795 -12.284 -3.281 1.00 0.00 H ATOM 982 HD2 LYS A 78 11.333 -12.384 -0.890 1.00 0.00 H ATOM 983 HD3 LYS A 78 9.742 -13.118 -1.199 1.00 0.00 H ATOM 984 HE2 LYS A 78 12.452 -14.334 -1.821 1.00 0.00 H ATOM 985 HE3 LYS A 78 10.885 -15.059 -2.249 1.00 0.00 H ATOM 986 HZ1 LYS A 78 11.825 -14.456 0.506 1.00 0.00 H ATOM 987 HZ2 LYS A 78 10.329 -15.148 0.097 1.00 0.00 H ATOM 988 HZ3 LYS A 78 11.770 -15.993 -0.214 1.00 0.00 H ATOM 989 H LYS A 78 8.731 -8.978 -3.298 1.00 0.00 H ATOM 990 N GLU A 79 7.781 -11.147 -5.371 1.00 1.09 N ATOM 991 CA GLU A 79 6.887 -11.941 -6.198 1.00 1.13 C ATOM 992 C GLU A 79 6.281 -11.122 -7.334 1.00 1.12 C ATOM 993 O GLU A 79 6.026 -11.649 -8.417 1.00 1.18 O ATOM 994 CB GLU A 79 5.757 -12.509 -5.337 1.00 1.10 C ATOM 995 CG GLU A 79 6.225 -13.217 -4.081 1.00 1.12 C ATOM 996 CD GLU A 79 7.114 -14.404 -4.382 1.00 1.20 C ATOM 997 OE1 GLU A 79 6.675 -15.301 -5.133 1.00 1.25 O ATOM 998 OE2 GLU A 79 8.250 -14.443 -3.865 1.00 1.23 O ATOM 999 HA GLU A 79 7.476 -12.746 -6.636 1.00 0.00 H ATOM 1000 HB2 GLU A 79 5.105 -11.686 -5.043 1.00 0.00 H ATOM 1001 HB3 GLU A 79 5.193 -13.220 -5.940 1.00 0.00 H ATOM 1002 HG2 GLU A 79 6.782 -12.509 -3.467 1.00 0.00 H ATOM 1003 HG3 GLU A 79 5.352 -13.565 -3.529 1.00 0.00 H ATOM 1004 H GLU A 79 7.386 -10.352 -4.829 1.00 0.00 H ATOM 1005 N LEU A 80 6.053 -9.832 -7.086 1.00 1.06 N ATOM 1006 CA LEU A 80 5.453 -8.941 -8.080 1.00 1.05 C ATOM 1007 C LEU A 80 6.446 -8.251 -9.000 1.00 1.10 C ATOM 1008 O LEU A 80 6.052 -7.653 -10.003 1.00 1.12 O ATOM 1009 CB LEU A 80 4.605 -7.879 -7.383 1.00 0.97 C ATOM 1010 CG LEU A 80 3.329 -8.397 -6.730 1.00 0.94 C ATOM 1011 CD1 LEU A 80 2.623 -7.282 -5.978 1.00 0.85 C ATOM 1012 CD2 LEU A 80 2.432 -8.972 -7.808 1.00 1.00 C ATOM 1013 HA LEU A 80 4.845 -9.587 -8.714 1.00 0.00 H ATOM 1014 HB2 LEU A 80 5.215 -7.413 -6.609 1.00 0.00 H ATOM 1015 HB3 LEU A 80 4.326 -7.130 -8.124 1.00 0.00 H ATOM 1016 HG LEU A 80 3.575 -9.175 -6.008 1.00 0.00 H ATOM 1017 HD21 LEU A 80 2.189 -8.193 -8.531 1.00 0.00 H ATOM 1018 HD22 LEU A 80 2.949 -9.789 -8.312 1.00 0.00 H ATOM 1019 HD23 LEU A 80 1.515 -9.347 -7.354 1.00 0.00 H ATOM 1020 HD11 LEU A 80 3.284 -6.893 -5.204 1.00 0.00 H ATOM 1021 HD12 LEU A 80 2.365 -6.483 -6.673 1.00 0.00 H ATOM 1022 HD13 LEU A 80 1.715 -7.673 -5.519 1.00 0.00 H ATOM 1023 H LEU A 80 6.310 -9.446 -6.155 1.00 0.00 H ATOM 1024 N GLY A 81 7.727 -8.328 -8.657 1.00 1.11 N ATOM 1025 CA GLY A 81 8.743 -7.696 -9.477 1.00 1.16 C ATOM 1026 C GLY A 81 8.406 -6.245 -9.763 1.00 1.13 C ATOM 1027 O GLY A 81 8.770 -5.699 -10.803 1.00 1.18 O ATOM 1028 HA3 GLY A 81 8.821 -8.234 -10.422 1.00 0.00 H ATOM 1029 HA2 GLY A 81 9.699 -7.741 -8.954 1.00 0.00 H ATOM 1030 H GLY A 81 8.003 -8.844 -7.797 1.00 0.00 H ATOM 1031 N MET A 82 7.699 -5.621 -8.832 1.00 1.05 N ATOM 1032 CA MET A 82 7.315 -4.231 -8.989 1.00 1.02 C ATOM 1033 C MET A 82 8.553 -3.346 -9.047 1.00 1.05 C ATOM 1034 O MET A 82 9.325 -3.291 -8.091 1.00 1.02 O ATOM 1035 CB MET A 82 6.432 -3.791 -7.818 1.00 0.93 C ATOM 1036 CG MET A 82 5.180 -4.631 -7.627 1.00 0.90 C ATOM 1037 SD MET A 82 4.049 -3.948 -6.389 1.00 0.80 S ATOM 1038 CE MET A 82 4.628 -4.753 -4.901 1.00 0.76 C ATOM 1039 HA MET A 82 6.757 -4.131 -9.920 1.00 0.00 H ATOM 1040 HB2 MET A 82 7.024 -3.847 -6.904 1.00 0.00 H ATOM 1041 HB3 MET A 82 6.128 -2.758 -7.989 1.00 0.00 H ATOM 1042 HG2 MET A 82 5.478 -5.631 -7.311 1.00 0.00 H ATOM 1043 HG3 MET A 82 4.655 -4.693 -8.580 1.00 0.00 H ATOM 1044 HE1 MET A 82 4.542 -5.833 -5.017 1.00 0.00 H ATOM 1045 HE2 MET A 82 5.671 -4.487 -4.728 1.00 0.00 H ATOM 1046 HE3 MET A 82 4.023 -4.427 -4.055 1.00 0.00 H ATOM 1047 H MET A 82 7.415 -6.136 -7.975 1.00 0.00 H ATOM 1048 N GLU A 83 8.748 -2.661 -10.172 1.00 1.11 N ATOM 1049 CA GLU A 83 9.888 -1.762 -10.327 1.00 1.14 C ATOM 1050 C GLU A 83 9.613 -0.519 -9.484 1.00 1.08 C ATOM 1051 O GLU A 83 8.899 -0.587 -8.484 1.00 1.01 O ATOM 1052 CB GLU A 83 10.063 -1.377 -11.794 1.00 1.23 C ATOM 1053 CG GLU A 83 11.354 -1.937 -12.467 1.00 1.31 C ATOM 1054 CD GLU A 83 11.482 -1.596 -13.956 1.00 1.40 C ATOM 1055 OE1 GLU A 83 11.008 -2.398 -14.801 1.00 1.44 O ATOM 1056 OE2 GLU A 83 12.083 -0.543 -14.285 1.00 1.43 O ATOM 1057 HA GLU A 83 10.806 -2.250 -9.999 1.00 0.00 H ATOM 1058 HB2 GLU A 83 9.202 -1.751 -12.348 1.00 0.00 H ATOM 1059 HB3 GLU A 83 10.091 -0.289 -11.859 1.00 0.00 H ATOM 1060 HG2 GLU A 83 12.218 -1.525 -11.946 1.00 0.00 H ATOM 1061 HG3 GLU A 83 11.351 -3.022 -12.363 1.00 0.00 H ATOM 1062 H GLU A 83 8.074 -2.769 -10.957 1.00 0.00 H ATOM 1063 N GLU A 84 10.183 0.614 -9.875 1.00 1.12 N ATOM 1064 CA GLU A 84 9.945 1.847 -9.136 1.00 1.08 C ATOM 1065 C GLU A 84 8.819 2.565 -9.861 1.00 1.09 C ATOM 1066 O GLU A 84 8.454 2.183 -10.975 1.00 1.14 O ATOM 1067 CB GLU A 84 11.191 2.741 -9.126 1.00 1.14 C ATOM 1068 CG GLU A 84 12.500 2.046 -8.762 1.00 1.17 C ATOM 1069 CD GLU A 84 13.185 1.413 -9.966 1.00 1.25 C ATOM 1070 OE1 GLU A 84 13.509 2.150 -10.923 1.00 1.31 O ATOM 1071 OE2 GLU A 84 13.406 0.183 -9.952 1.00 1.25 O ATOM 1072 HA GLU A 84 9.696 1.625 -8.098 1.00 0.00 H ATOM 1073 HB2 GLU A 84 11.304 3.169 -10.122 1.00 0.00 H ATOM 1074 HB3 GLU A 84 11.024 3.541 -8.405 1.00 0.00 H ATOM 1075 HG2 GLU A 84 13.175 2.781 -8.323 1.00 0.00 H ATOM 1076 HG3 GLU A 84 12.289 1.266 -8.031 1.00 0.00 H ATOM 1077 H GLU A 84 10.801 0.622 -10.711 1.00 0.00 H ATOM 1078 N GLU A 85 8.261 3.593 -9.231 1.00 1.05 N ATOM 1079 CA GLU A 85 7.182 4.376 -9.834 1.00 1.07 C ATOM 1080 C GLU A 85 5.883 3.586 -9.997 1.00 1.04 C ATOM 1081 O GLU A 85 4.884 4.120 -10.480 1.00 1.06 O ATOM 1082 CB GLU A 85 7.634 4.911 -11.201 1.00 1.17 C ATOM 1083 CG GLU A 85 6.653 5.862 -11.869 1.00 1.21 C ATOM 1084 CD GLU A 85 6.485 7.152 -11.097 1.00 1.19 C ATOM 1085 OE1 GLU A 85 7.478 7.898 -10.969 1.00 1.22 O ATOM 1086 OE2 GLU A 85 5.363 7.418 -10.617 1.00 1.14 O ATOM 1087 HA GLU A 85 6.969 5.198 -9.151 1.00 0.00 H ATOM 1088 HB2 GLU A 85 8.578 5.438 -11.064 1.00 0.00 H ATOM 1089 HB3 GLU A 85 7.787 4.060 -11.865 1.00 0.00 H ATOM 1090 HG2 GLU A 85 7.018 6.097 -12.869 1.00 0.00 H ATOM 1091 HG3 GLU A 85 5.683 5.370 -11.944 1.00 0.00 H ATOM 1092 H GLU A 85 8.601 3.849 -8.282 1.00 0.00 H ATOM 1093 N ASP A 86 5.896 2.319 -9.598 1.00 1.00 N ATOM 1094 CA ASP A 86 4.707 1.480 -9.707 1.00 0.97 C ATOM 1095 C ASP A 86 3.481 2.160 -9.131 1.00 0.92 C ATOM 1096 O ASP A 86 3.567 3.241 -8.546 1.00 0.90 O ATOM 1097 CB ASP A 86 4.919 0.149 -8.987 1.00 0.93 C ATOM 1098 CG ASP A 86 5.291 -0.966 -9.933 1.00 1.00 C ATOM 1099 OD1 ASP A 86 4.503 -1.238 -10.862 1.00 1.05 O ATOM 1100 OD2 ASP A 86 6.367 -1.573 -9.750 1.00 1.01 O ATOM 1101 HA ASP A 86 4.541 1.305 -10.770 1.00 0.00 H ATOM 1102 HB2 ASP A 86 5.719 0.270 -8.257 1.00 0.00 H ATOM 1103 HB3 ASP A 86 3.997 -0.121 -8.473 1.00 0.00 H ATOM 1104 H ASP A 86 6.769 1.918 -9.201 1.00 0.00 H ATOM 1105 N VAL A 87 2.332 1.513 -9.294 1.00 0.92 N ATOM 1106 CA VAL A 87 1.078 2.049 -8.791 1.00 0.88 C ATOM 1107 C VAL A 87 0.230 0.951 -8.174 1.00 0.83 C ATOM 1108 O VAL A 87 0.272 -0.197 -8.609 1.00 0.86 O ATOM 1109 CB VAL A 87 0.262 2.718 -9.920 1.00 0.97 C ATOM 1110 CG1 VAL A 87 -1.110 3.123 -9.408 1.00 0.94 C ATOM 1111 CG2 VAL A 87 1.006 3.932 -10.448 1.00 1.02 C ATOM 1112 HA VAL A 87 1.330 2.792 -8.035 1.00 0.00 H ATOM 1113 HB VAL A 87 0.132 2.003 -10.733 1.00 0.00 H ATOM 1114 HG11 VAL A 87 -1.642 2.238 -9.059 1.00 0.00 H ATOM 1115 HG12 VAL A 87 -0.996 3.828 -8.584 1.00 0.00 H ATOM 1116 HG13 VAL A 87 -1.673 3.593 -10.214 1.00 0.00 H ATOM 1117 HG21 VAL A 87 1.153 4.647 -9.638 1.00 0.00 H ATOM 1118 HG22 VAL A 87 1.974 3.621 -10.840 1.00 0.00 H ATOM 1119 HG23 VAL A 87 0.423 4.396 -11.243 1.00 0.00 H ATOM 1120 H VAL A 87 2.330 0.601 -9.794 1.00 0.00 H ATOM 1121 N ILE A 88 -0.522 1.310 -7.141 1.00 0.76 N ATOM 1122 CA ILE A 88 -1.416 0.375 -6.481 1.00 0.72 C ATOM 1123 C ILE A 88 -2.765 1.058 -6.355 1.00 0.73 C ATOM 1124 O ILE A 88 -2.844 2.246 -6.037 1.00 0.72 O ATOM 1125 CB ILE A 88 -0.936 -0.024 -5.064 1.00 0.62 C ATOM 1126 CG1 ILE A 88 0.354 -0.838 -5.146 1.00 0.63 C ATOM 1127 CG2 ILE A 88 -2.001 -0.870 -4.379 1.00 0.60 C ATOM 1128 CD1 ILE A 88 0.822 -1.388 -3.805 1.00 0.56 C ATOM 1129 HA ILE A 88 -1.456 -0.538 -7.075 1.00 0.00 H ATOM 1130 HB ILE A 88 -0.755 0.888 -4.494 1.00 0.00 H ATOM 1131 HG12 ILE A 88 0.189 -1.676 -5.823 1.00 0.00 H ATOM 1132 HG13 ILE A 88 1.139 -0.198 -5.548 1.00 0.00 H ATOM 1133 HD11 ILE A 88 1.004 -0.561 -3.118 1.00 0.00 H ATOM 1134 HD12 ILE A 88 0.053 -2.041 -3.393 1.00 0.00 H ATOM 1135 HD13 ILE A 88 1.743 -1.954 -3.947 1.00 0.00 H ATOM 1136 HG21 ILE A 88 -2.924 -0.296 -4.300 1.00 0.00 H ATOM 1137 HG22 ILE A 88 -2.181 -1.770 -4.966 1.00 0.00 H ATOM 1138 HG23 ILE A 88 -1.657 -1.148 -3.383 1.00 0.00 H ATOM 1139 H ILE A 88 -0.470 2.289 -6.794 1.00 0.00 H ATOM 1140 N GLU A 89 -3.825 0.303 -6.624 1.00 0.77 N ATOM 1141 CA GLU A 89 -5.179 0.822 -6.535 1.00 0.80 C ATOM 1142 C GLU A 89 -5.832 0.269 -5.280 1.00 0.74 C ATOM 1143 O GLU A 89 -5.610 -0.886 -4.917 1.00 0.72 O ATOM 1144 CB GLU A 89 -6.001 0.393 -7.754 1.00 0.90 C ATOM 1145 CG GLU A 89 -6.484 1.539 -8.632 1.00 0.98 C ATOM 1146 CD GLU A 89 -5.410 2.053 -9.572 1.00 1.02 C ATOM 1147 OE1 GLU A 89 -4.960 1.266 -10.436 1.00 1.06 O ATOM 1148 OE2 GLU A 89 -5.018 3.236 -9.450 1.00 1.01 O ATOM 1149 HA GLU A 89 -5.141 1.911 -6.501 1.00 0.00 H ATOM 1150 HB2 GLU A 89 -5.384 -0.266 -8.365 1.00 0.00 H ATOM 1151 HB3 GLU A 89 -6.874 -0.154 -7.399 1.00 0.00 H ATOM 1152 HG2 GLU A 89 -7.329 1.191 -9.226 1.00 0.00 H ATOM 1153 HG3 GLU A 89 -6.806 2.358 -7.989 1.00 0.00 H ATOM 1154 H GLU A 89 -3.681 -0.688 -6.906 1.00 0.00 H ATOM 1155 N VAL A 90 -6.622 1.096 -4.609 1.00 0.73 N ATOM 1156 CA VAL A 90 -7.321 0.658 -3.410 1.00 0.69 C ATOM 1157 C VAL A 90 -8.800 0.865 -3.683 1.00 0.77 C ATOM 1158 O VAL A 90 -9.203 1.909 -4.197 1.00 0.82 O ATOM 1159 CB VAL A 90 -6.937 1.487 -2.160 1.00 0.61 C ATOM 1160 CG1 VAL A 90 -7.514 0.840 -0.907 1.00 0.59 C ATOM 1161 CG2 VAL A 90 -5.435 1.599 -2.048 1.00 0.54 C ATOM 1162 HA VAL A 90 -7.059 -0.379 -3.201 1.00 0.00 H ATOM 1163 HB VAL A 90 -7.353 2.489 -2.261 1.00 0.00 H ATOM 1164 HG11 VAL A 90 -8.600 0.797 -0.989 1.00 0.00 H ATOM 1165 HG12 VAL A 90 -7.116 -0.169 -0.804 1.00 0.00 H ATOM 1166 HG13 VAL A 90 -7.238 1.431 -0.034 1.00 0.00 H ATOM 1167 HG21 VAL A 90 -5.003 0.602 -1.962 1.00 0.00 H ATOM 1168 HG22 VAL A 90 -5.041 2.091 -2.937 1.00 0.00 H ATOM 1169 HG23 VAL A 90 -5.180 2.184 -1.165 1.00 0.00 H ATOM 1170 H VAL A 90 -6.744 2.073 -4.945 1.00 0.00 H ATOM 1171 N TYR A 91 -9.605 -0.137 -3.359 1.00 0.80 N ATOM 1172 CA TYR A 91 -11.033 -0.026 -3.572 1.00 0.88 C ATOM 1173 C TYR A 91 -11.764 -0.314 -2.279 1.00 0.87 C ATOM 1174 O TYR A 91 -11.401 -1.229 -1.546 1.00 0.83 O ATOM 1175 CB TYR A 91 -11.500 -1.007 -4.644 1.00 0.96 C ATOM 1176 CG TYR A 91 -10.936 -0.741 -6.020 1.00 1.00 C ATOM 1177 CD1 TYR A 91 -9.623 -1.086 -6.337 1.00 0.96 C ATOM 1178 CD2 TYR A 91 -11.720 -0.145 -7.007 1.00 1.08 C ATOM 1179 CE1 TYR A 91 -9.102 -0.845 -7.609 1.00 1.01 C ATOM 1180 CE2 TYR A 91 -11.208 0.100 -8.283 1.00 1.13 C ATOM 1181 CZ TYR A 91 -9.900 -0.252 -8.578 1.00 1.10 C ATOM 1182 OH TYR A 91 -9.388 -0.012 -9.837 1.00 1.15 O ATOM 1183 HA TYR A 91 -11.253 0.988 -3.906 1.00 0.00 H ATOM 1184 HB3 TYR A 91 -12.587 -0.955 -4.705 1.00 0.00 H ATOM 1185 HB2 TYR A 91 -11.202 -2.011 -4.341 1.00 0.00 H ATOM 1186 HD2 TYR A 91 -12.749 0.134 -6.779 1.00 0.00 H ATOM 1187 HE2 TYR A 91 -11.834 0.566 -9.044 1.00 0.00 H ATOM 1188 HE1 TYR A 91 -8.073 -1.121 -7.841 1.00 0.00 H ATOM 1189 HD1 TYR A 91 -8.993 -1.552 -5.579 1.00 0.00 H ATOM 1190 HH TYR A 91 -8.449 -0.322 -9.875 1.00 0.00 H ATOM 1191 H TYR A 91 -9.209 -1.007 -2.950 1.00 0.00 H ATOM 1192 N GLN A 92 -12.782 0.492 -1.996 1.00 0.91 N ATOM 1193 CA GLN A 92 -13.594 0.310 -0.802 1.00 0.92 C ATOM 1194 C GLN A 92 -14.170 -1.095 -0.930 1.00 0.97 C ATOM 1195 O GLN A 92 -14.628 -1.486 -2.009 1.00 1.03 O ATOM 1196 CB GLN A 92 -14.704 1.368 -0.774 1.00 0.98 C ATOM 1197 CG GLN A 92 -15.820 1.145 0.242 1.00 1.02 C ATOM 1198 CD GLN A 92 -15.350 1.158 1.684 1.00 0.97 C ATOM 1199 OE1 GLN A 92 -14.373 1.827 2.030 1.00 0.91 O ATOM 1200 NE2 GLN A 92 -16.062 0.430 2.541 1.00 1.01 N ATOM 1201 HA GLN A 92 -13.027 0.422 0.122 1.00 0.00 H ATOM 1202 HB2 GLN A 92 -14.241 2.330 -0.555 1.00 0.00 H ATOM 1203 HB3 GLN A 92 -15.157 1.401 -1.765 1.00 0.00 H ATOM 1204 HG2 GLN A 92 -16.562 1.933 0.116 1.00 0.00 H ATOM 1205 HG3 GLN A 92 -16.281 0.178 0.040 1.00 0.00 H ATOM 1206 HE22 GLN A 92 -16.879 -0.119 2.204 1.00 0.00 H ATOM 1207 HE21 GLN A 92 -15.802 0.410 3.548 1.00 0.00 H ATOM 1208 H GLN A 92 -13.004 1.274 -2.645 1.00 0.00 H ATOM 1209 N GLU A 93 -14.124 -1.870 0.150 1.00 0.95 N ATOM 1210 CA GLU A 93 -14.644 -3.227 0.090 1.00 1.00 C ATOM 1211 C GLU A 93 -16.159 -3.213 0.205 1.00 1.09 C ATOM 1212 O GLU A 93 -16.739 -2.425 0.956 1.00 1.10 O ATOM 1213 CB GLU A 93 -14.034 -4.101 1.188 1.00 0.97 C ATOM 1214 CG GLU A 93 -14.183 -5.595 0.908 1.00 1.02 C ATOM 1215 CD GLU A 93 -13.533 -6.012 -0.410 1.00 1.02 C ATOM 1216 OE1 GLU A 93 -12.295 -6.202 -0.437 1.00 0.96 O ATOM 1217 OE2 GLU A 93 -14.266 -6.138 -1.420 1.00 1.08 O ATOM 1218 HA GLU A 93 -14.366 -3.655 -0.873 1.00 0.00 H ATOM 1219 HB2 GLU A 93 -12.973 -3.866 1.271 1.00 0.00 H ATOM 1220 HB3 GLU A 93 -14.530 -3.872 2.131 1.00 0.00 H ATOM 1221 HG2 GLU A 93 -13.715 -6.151 1.720 1.00 0.00 H ATOM 1222 HG3 GLU A 93 -15.245 -5.839 0.867 1.00 0.00 H ATOM 1223 H GLU A 93 -13.717 -1.506 1.035 1.00 0.00 H ATOM 1224 N GLN A 94 -16.787 -4.109 -0.551 1.00 1.16 N ATOM 1225 CA GLN A 94 -18.238 -4.211 -0.597 1.00 1.25 C ATOM 1226 C GLN A 94 -18.634 -5.637 -0.942 1.00 1.31 C ATOM 1227 O GLN A 94 -17.780 -6.459 -1.277 1.00 1.28 O ATOM 1228 CB GLN A 94 -18.750 -3.284 -1.683 1.00 1.29 C ATOM 1229 CG GLN A 94 -18.197 -3.668 -3.043 1.00 1.30 C ATOM 1230 CD GLN A 94 -18.461 -2.630 -4.096 1.00 1.33 C ATOM 1231 OE1 GLN A 94 -17.916 -1.522 -4.050 1.00 1.29 O ATOM 1232 NE2 GLN A 94 -19.304 -2.975 -5.062 1.00 1.42 N ATOM 1233 HA GLN A 94 -18.661 -3.938 0.370 1.00 0.00 H ATOM 1234 HB2 GLN A 94 -19.838 -3.339 -1.713 1.00 0.00 H ATOM 1235 HB3 GLN A 94 -18.446 -2.263 -1.451 1.00 0.00 H ATOM 1236 HG2 GLN A 94 -17.120 -3.807 -2.954 1.00 0.00 H ATOM 1237 HG3 GLN A 94 -18.659 -4.605 -3.354 1.00 0.00 H ATOM 1238 HE22 GLN A 94 -19.739 -3.920 -5.060 1.00 0.00 H ATOM 1239 HE21 GLN A 94 -19.529 -2.301 -5.821 1.00 0.00 H ATOM 1240 H GLN A 94 -16.220 -4.761 -1.131 1.00 0.00 H ATOM 1241 N THR A 95 -19.936 -5.908 -0.873 1.00 1.39 N ATOM 1242 CA THR A 95 -20.500 -7.219 -1.190 1.00 1.45 C ATOM 1243 C THR A 95 -21.873 -7.005 -1.820 1.00 1.54 C ATOM 1244 O THR A 95 -22.426 -5.905 -1.753 1.00 1.55 O ATOM 1245 CB THR A 95 -20.686 -8.081 0.075 1.00 1.47 C ATOM 1246 OG1 THR A 95 -21.628 -7.448 0.951 1.00 1.49 O ATOM 1247 CG2 THR A 95 -19.361 -8.255 0.807 1.00 1.39 C ATOM 1248 HA THR A 95 -19.815 -7.735 -1.863 1.00 0.00 H ATOM 1249 HB THR A 95 -21.055 -9.062 -0.225 1.00 0.00 H ATOM 1250 HG1 THR A 95 -22.497 -7.352 0.486 1.00 0.00 H ATOM 1251 HG23 THR A 95 -18.642 -8.736 0.144 1.00 0.00 H ATOM 1252 HG21 THR A 95 -18.983 -7.278 1.108 1.00 0.00 H ATOM 1253 HG22 THR A 95 -19.514 -8.875 1.690 1.00 0.00 H ATOM 1254 H THR A 95 -20.584 -5.149 -0.579 1.00 0.00 H ATOM 1255 N GLY A 96 -22.424 -8.052 -2.428 1.00 1.61 N ATOM 1256 CA GLY A 96 -23.735 -7.931 -3.045 1.00 1.70 C ATOM 1257 C GLY A 96 -24.821 -7.692 -2.013 1.00 1.74 C ATOM 1258 O GLY A 96 -24.534 -7.410 -0.850 1.00 1.69 O ATOM 1259 HA3 GLY A 96 -23.957 -8.851 -3.586 1.00 0.00 H ATOM 1260 HA2 GLY A 96 -23.721 -7.095 -3.744 1.00 0.00 H ATOM 1261 H GLY A 96 -21.916 -8.959 -2.462 1.00 0.00 H ATOM 1262 N GLY A 97 -26.074 -7.803 -2.438 1.00 1.82 N ATOM 1263 CA GLY A 97 -27.219 -7.605 -1.546 1.00 1.87 C ATOM 1264 C GLY A 97 -28.422 -8.377 -2.082 1.00 1.97 C ATOM 1265 O GLY A 97 -28.361 -8.948 -3.174 1.00 2.00 O ATOM 1266 HA3 GLY A 97 -27.461 -6.543 -1.496 1.00 0.00 H ATOM 1267 HA2 GLY A 97 -26.970 -7.967 -0.549 1.00 0.00 H ATOM 1268 OXT GLY A 97 -29.451 -8.400 -1.374 1.00 2.01 O ATOM 1269 H GLY A 97 -26.248 -8.038 -3.436 1.00 0.00 H TER 1270 GLY A 97 HETATM 1271 N ASP A 1 13.870 -0.240 10.856 1.00 0.24 N HETATM 1272 CA ASP A 1 15.298 -0.020 10.512 1.00 0.08 C HETATM 1273 C ASP A 1 16.053 -1.343 10.457 1.00 0.23 C HETATM 1274 O ASP A 1 16.614 -1.705 9.422 1.00 -0.39 O HETATM 1275 N ASP A 1 16.054 -2.064 11.574 1.00 -0.26 N HETATM 1276 CA ASP A 1 16.747 -3.343 11.658 1.00 0.15 C HETATM 1277 C ASP A 1 15.917 -4.464 11.038 1.00 0.21 C HETATM 1278 O ASP A 1 16.371 -5.145 10.117 1.00 -0.39 O HETATM 1279 N ASP A 1 14.699 -4.647 11.540 1.00 -0.26 N HETATM 1280 CA ASP A 1 13.816 -5.696 11.038 1.00 0.13 C HETATM 1281 C ASP A 1 13.045 -5.228 9.803 1.00 0.20 C HETATM 1282 O ASP A 1 13.340 -5.641 8.682 1.00 -0.39 O HETATM 1283 N ASP A 1 12.062 -4.357 10.017 1.00 -0.26 N HETATM 1284 CA ASP A 1 11.244 -3.833 8.926 1.00 0.13 C HETATM 1285 C ASP A 1 11.279 -2.308 8.912 1.00 0.20 C HETATM 1286 O ASP A 1 11.433 -1.678 9.958 1.00 -0.39 O HETATM 1287 N ASP A 1 11.140 -1.715 7.727 1.00 -0.26 N HETATM 1288 CA ASP A 1 11.165 -0.261 7.610 1.00 0.13 C HETATM 1289 C ASP A 1 10.375 0.227 6.403 1.00 0.20 C HETATM 1290 O ASP A 1 10.638 -0.169 5.266 1.00 -0.39 O HETATM 1291 N ASP A 1 9.405 1.098 6.671 1.00 -0.26 N HETATM 1292 CA ASP A 1 8.563 1.677 5.631 1.00 0.13 C HETATM 1293 C ASP A 1 8.358 3.166 5.898 1.00 0.20 C HETATM 1294 O ASP A 1 7.821 3.553 6.938 1.00 -0.39 O HETATM 1295 N ASP A 1 8.796 3.998 4.958 1.00 -0.26 N HETATM 1296 CA ASP A 1 8.664 5.445 5.093 1.00 0.13 C HETATM 1297 C ASP A 1 7.592 5.984 4.163 1.00 0.20 C HETATM 1298 O ASP A 1 7.667 5.806 2.949 1.00 -0.39 O HETATM 1299 N ASP A 1 6.594 6.649 4.731 1.00 -0.26 N HETATM 1300 CA ASP A 1 5.507 7.187 3.930 1.00 0.13 C HETATM 1301 C ASP A 1 5.288 8.681 4.170 1.00 0.20 C HETATM 1302 O ASP A 1 4.884 9.103 5.255 1.00 -0.39 O HETATM 1303 N ASP A 1 5.570 9.483 3.145 1.00 -0.26 N HETATM 1304 CA ASP A 1 5.375 10.900 3.207 1.00 0.13 C HETATM 1305 C ASP A 1 5.022 11.437 1.826 1.00 0.20 C HETATM 1306 O ASP A 1 5.837 11.401 0.901 1.00 -0.39 O HETATM 1307 N ASP A 1 3.792 11.912 1.693 1.00 -0.26 N HETATM 1308 CA ASP A 1 3.315 12.488 0.447 1.00 0.14 C HETATM 1309 C ASP A 1 3.522 13.998 0.419 1.00 0.21 C HETATM 1310 O ASP A 1 4.065 14.584 1.356 1.00 -0.39 O HETATM 1311 N ASP A 1 3.075 14.612 -0.667 1.00 -0.26 N HETATM 1312 CA ASP A 1 3.135 16.045 -0.829 1.00 0.13 C HETATM 1313 C ASP A 1 1.962 16.498 -1.699 1.00 0.20 C HETATM 1314 O ASP A 1 1.726 15.933 -2.767 1.00 -0.39 O HETATM 1315 N ASP A 1 1.233 17.520 -1.254 1.00 -0.26 N HETATM 1316 CA ASP A 1 0.079 18.012 -2.008 1.00 0.13 C HETATM 1317 C ASP A 1 0.502 18.968 -3.114 1.00 0.20 C HETATM 1318 O ASP A 1 1.497 19.684 -2.988 1.00 -0.39 O HETATM 1319 N ASP A 1 -0.265 18.962 -4.201 1.00 -0.27 N HETATM 1320 CA ASP A 1 0.012 19.815 -5.352 1.00 0.09 C HETATM 1321 C ASP A 1 -0.786 21.115 -5.271 1.00 0.06 C HETATM 1322 O ASP A 1 -1.995 21.089 -5.591 1.00 -0.57 O HETATM 1323 OXT ASP A 1 -0.196 22.148 -4.892 1.00 -0.57 O HETATM 1324 CB ASP A 1 -0.333 19.068 -6.645 1.00 -0.02 C HETATM 1325 CG ASP A 1 0.160 19.763 -7.908 1.00 -0.04 C HETATM 1326 CD ASP A 1 -0.571 19.261 -9.146 1.00 -0.01 C HETATM 1327 CE ASP A 1 -1.351 20.376 -9.828 1.00 -0.04 C HETATM 1328 NZ ASP A 1 -2.430 20.918 -8.957 1.00 0.22 N HETATM 1329 H ASP A 1 -2.925 21.660 -9.452 1.00 0.20 H HETATM 1330 H ASP A 1 -3.083 20.171 -8.722 1.00 0.20 H HETATM 1331 H ASP A 1 -2.019 21.294 -8.102 1.00 0.20 H HETATM 1332 H ASP A 1 -1.813 19.968 -10.727 1.00 0.08 H HETATM 1333 H ASP A 1 -0.658 21.186 -10.055 1.00 0.08 H HETATM 1334 H ASP A 1 -1.274 18.487 -8.840 1.00 0.03 H HETATM 1335 H ASP A 1 0.168 18.878 -9.850 1.00 0.03 H HETATM 1336 H ASP A 1 1.223 19.550 -8.026 1.00 0.03 H HETATM 1337 H ASP A 1 -0.027 20.832 -7.808 1.00 0.03 H HETATM 1338 H ASP A 1 -1.420 19.013 -6.708 1.00 0.03 H HETATM 1339 H ASP A 1 0.156 18.095 -6.598 1.00 0.03 H HETATM 1340 H ASP A 1 1.073 20.065 -5.350 1.00 0.07 H HETATM 1341 H ASP A 1 -1.073 18.341 -4.231 1.00 0.19 H HETATM 1342 CB ASP A 1 -0.934 18.691 -1.081 1.00 -0.01 C HETATM 1343 CG ASP A 1 -2.083 17.780 -0.662 1.00 -0.04 C HETATM 1344 CD ASP A 1 -3.074 17.537 -1.797 1.00 -0.01 C HETATM 1345 CE ASP A 1 -3.970 18.744 -2.028 1.00 -0.04 C HETATM 1346 NZ ASP A 1 -4.948 18.505 -3.122 1.00 0.22 N HETATM 1347 H ASP A 1 -5.528 19.335 -3.245 1.00 0.20 H HETATM 1348 H ASP A 1 -4.446 18.308 -3.988 1.00 0.20 H HETATM 1349 H ASP A 1 -5.538 17.709 -2.881 1.00 0.20 H HETATM 1350 H ASP A 1 -3.341 19.588 -2.309 1.00 0.08 H HETATM 1351 H ASP A 1 -4.524 18.940 -1.110 1.00 0.08 H HETATM 1352 H ASP A 1 -3.703 16.688 -1.528 1.00 0.03 H HETATM 1353 H ASP A 1 -2.511 17.347 -2.711 1.00 0.03 H HETATM 1354 H ASP A 1 -2.617 18.264 0.155 1.00 0.03 H HETATM 1355 H ASP A 1 -1.662 16.818 -0.369 1.00 0.03 H HETATM 1356 H ASP A 1 -1.365 19.531 -1.626 1.00 0.03 H HETATM 1357 H ASP A 1 -0.403 18.985 -0.176 1.00 0.03 H HETATM 1358 H ASP A 1 -0.397 17.148 -2.471 1.00 0.08 H HETATM 1359 H ASP A 1 1.483 17.968 -0.372 1.00 0.19 H HETATM 1360 CB ASP A 1 4.464 16.467 -1.458 1.00 -0.00 C HETATM 1361 CG ASP A 1 4.648 17.972 -1.536 1.00 0.00 C HETATM 1362 CD ASP A 1 5.897 18.366 -2.297 1.00 0.04 C HETATM 1363 OE1 ASP A 1 6.990 18.356 -1.692 1.00 -0.57 O HETATM 1364 OE2 ASP A 1 5.784 18.684 -3.499 1.00 -0.57 O HETATM 1365 H ASP A 1 4.740 18.352 -0.519 1.00 0.04 H HETATM 1366 H ASP A 1 3.789 18.389 -2.062 1.00 0.04 H HETATM 1367 H ASP A 1 4.480 16.082 -2.478 1.00 0.03 H HETATM 1368 H ASP A 1 5.263 16.072 -0.831 1.00 0.03 H HETATM 1369 H ASP A 1 3.067 16.520 0.150 1.00 0.08 H HETATM 1370 H ASP A 1 2.673 14.050 -1.417 1.00 0.19 H HETATM 1371 CB ASP A 1 1.840 12.153 0.242 1.00 0.00 C HETATM 1372 CG ASP A 1 1.368 12.382 -1.166 1.00 -0.04 C HETATM 1373 CD1 ASP A 1 1.913 11.886 -2.316 1.00 0.02 C HETATM 1374 NE1 ASP A 1 1.213 12.344 -3.404 1.00 -0.29 N HETATM 1375 CE2 ASP A 1 0.196 13.148 -2.968 1.00 0.06 C HETATM 1376 CD2 ASP A 1 0.269 13.194 -1.565 1.00 -0.02 C HETATM 1377 CE3 ASP A 1 -0.665 13.953 -0.865 1.00 -0.07 C HETATM 1378 CZ3 ASP A 1 -1.628 14.633 -1.573 1.00 -0.08 C HETATM 1379 CH2 ASP A 1 -1.681 14.576 -2.968 1.00 -0.08 C HETATM 1380 CZ2 ASP A 1 -0.778 13.840 -3.684 1.00 -0.04 C HETATM 1381 H ASP A 1 -0.819 13.796 -4.772 1.00 0.05 H HETATM 1382 H ASP A 1 -2.458 15.129 -3.496 1.00 0.05 H HETATM 1383 H ASP A 1 -2.365 15.229 -1.035 1.00 0.05 H HETATM 1384 H ASP A 1 -0.633 14.007 0.223 1.00 0.05 H HETATM 1385 H ASP A 1 1.418 12.121 -4.378 1.00 0.22 H HETATM 1386 H ASP A 1 2.777 11.223 -2.363 1.00 0.08 H HETATM 1387 H ASP A 1 1.260 12.806 0.894 1.00 0.04 H HETATM 1388 H ASP A 1 1.709 11.094 0.465 1.00 0.04 H HETATM 1389 H ASP A 1 3.896 12.055 -0.367 1.00 0.08 H HETATM 1390 H ASP A 1 3.159 11.872 2.492 1.00 0.19 H HETATM 1391 CB ASP A 1 6.620 11.665 3.740 1.00 -0.01 C HETATM 1392 CG1 ASP A 1 6.453 13.168 3.546 1.00 -0.06 C HETATM 1393 H ASP A 1 6.333 13.385 2.485 1.00 0.02 H HETATM 1394 H ASP A 1 5.571 13.507 4.089 1.00 0.02 H HETATM 1395 H ASP A 1 7.336 13.682 3.926 1.00 0.02 H HETATM 1396 CG2 ASP A 1 6.885 11.357 5.207 1.00 -0.06 C HETATM 1397 H ASP A 1 6.020 11.652 5.801 1.00 0.02 H HETATM 1398 H ASP A 1 7.061 10.288 5.326 1.00 0.02 H HETATM 1399 H ASP A 1 7.763 11.911 5.540 1.00 0.02 H HETATM 1400 H ASP A 1 7.480 11.324 3.163 1.00 0.03 H HETATM 1401 H ASP A 1 4.559 11.068 3.910 1.00 0.08 H HETATM 1402 H ASP A 1 5.938 9.074 2.286 1.00 0.19 H HETATM 1403 CB ASP A 1 4.187 6.414 4.181 1.00 -0.00 C HETATM 1404 CG1 ASP A 1 3.698 6.580 5.624 1.00 -0.05 C HETATM 1405 CD1 ASP A 1 2.239 6.225 5.811 1.00 -0.06 C HETATM 1406 H ASP A 1 1.626 6.870 5.182 1.00 0.02 H HETATM 1407 H ASP A 1 2.081 5.184 5.530 1.00 0.02 H HETATM 1408 H ASP A 1 1.963 6.366 6.856 1.00 0.02 H HETATM 1409 H ASP A 1 3.817 7.630 5.892 1.00 0.03 H HETATM 1410 H ASP A 1 4.282 5.904 6.248 1.00 0.03 H HETATM 1411 CG2 ASP A 1 4.388 4.942 3.873 1.00 -0.06 C HETATM 1412 H ASP A 1 4.681 4.827 2.829 1.00 0.02 H HETATM 1413 H ASP A 1 5.170 4.541 4.518 1.00 0.02 H HETATM 1414 H ASP A 1 3.457 4.404 4.051 1.00 0.02 H HETATM 1415 H ASP A 1 3.426 6.830 3.521 1.00 0.03 H HETATM 1416 H ASP A 1 5.803 7.057 2.889 1.00 0.08 H HETATM 1417 H ASP A 1 6.590 6.784 5.742 1.00 0.19 H HETATM 1418 CB ASP A 1 9.989 6.176 4.802 1.00 -0.00 C HETATM 1419 CG1 ASP A 1 10.991 5.244 4.108 1.00 -0.05 C HETATM 1420 CD1 ASP A 1 12.253 5.941 3.648 1.00 -0.06 C HETATM 1421 H ASP A 1 11.995 6.727 2.938 1.00 0.02 H HETATM 1422 H ASP A 1 12.759 6.379 4.508 1.00 0.02 H HETATM 1423 H ASP A 1 12.912 5.218 3.167 1.00 0.02 H HETATM 1424 H ASP A 1 10.501 4.840 3.222 1.00 0.03 H HETATM 1425 H ASP A 1 11.284 4.484 4.832 1.00 0.03 H HETATM 1426 CG2 ASP A 1 10.568 6.724 6.092 1.00 -0.06 C HETATM 1427 H ASP A 1 9.861 7.423 6.538 1.00 0.02 H HETATM 1428 H ASP A 1 10.754 5.902 6.783 1.00 0.02 H HETATM 1429 H ASP A 1 11.504 7.239 5.878 1.00 0.02 H HETATM 1430 H ASP A 1 9.787 7.006 4.125 1.00 0.03 H HETATM 1431 H ASP A 1 8.381 5.633 6.129 1.00 0.08 H HETATM 1432 H ASP A 1 9.236 3.615 4.121 1.00 0.19 H HETATM 1433 CB ASP A 1 7.185 0.978 5.546 1.00 -0.01 C HETATM 1434 CG1 ASP A 1 6.290 1.663 4.523 1.00 -0.06 C HETATM 1435 H ASP A 1 6.139 2.703 4.813 1.00 0.02 H HETATM 1436 H ASP A 1 6.765 1.623 3.542 1.00 0.02 H HETATM 1437 H ASP A 1 5.328 1.152 4.484 1.00 0.02 H HETATM 1438 CG2 ASP A 1 7.344 -0.498 5.206 1.00 -0.06 C HETATM 1439 H ASP A 1 7.847 -0.596 4.244 1.00 0.02 H HETATM 1440 H ASP A 1 7.938 -0.986 5.979 1.00 0.02 H HETATM 1441 H ASP A 1 6.361 -0.965 5.152 1.00 0.02 H HETATM 1442 H ASP A 1 6.711 1.056 6.524 1.00 0.03 H HETATM 1443 H ASP A 1 9.074 1.532 4.679 1.00 0.08 H HETATM 1444 H ASP A 1 9.245 1.371 7.641 1.00 0.19 H HETATM 1445 CB ASP A 1 12.609 0.234 7.522 1.00 -0.00 C HETATM 1446 CG ASP A 1 12.743 1.744 7.626 1.00 0.00 C HETATM 1447 CD ASP A 1 14.164 2.180 7.915 1.00 0.04 C HETATM 1448 OE1 ASP A 1 15.053 1.901 7.084 1.00 -0.57 O HETATM 1449 OE2 ASP A 1 14.390 2.793 8.979 1.00 -0.57 O HETATM 1450 H ASP A 1 12.113 2.082 8.449 1.00 0.04 H HETATM 1451 H ASP A 1 12.446 2.175 6.670 1.00 0.04 H HETATM 1452 H ASP A 1 12.997 -0.062 6.547 1.00 0.03 H HETATM 1453 H ASP A 1 13.155 -0.201 8.360 1.00 0.03 H HETATM 1454 H ASP A 1 10.691 0.148 8.503 1.00 0.08 H HETATM 1455 H ASP A 1 11.014 -2.285 6.891 1.00 0.19 H HETATM 1456 CB ASP A 1 9.777 -4.315 9.031 1.00 -0.00 C HETATM 1457 CG1 ASP A 1 9.253 -4.176 10.466 1.00 -0.05 C HETATM 1458 CD1 ASP A 1 8.356 -2.975 10.676 1.00 -0.06 C HETATM 1459 H ASP A 1 8.909 -2.065 10.444 1.00 0.02 H HETATM 1460 H ASP A 1 7.489 -3.052 10.021 1.00 0.02 H HETATM 1461 H ASP A 1 8.027 -2.946 11.715 1.00 0.02 H HETATM 1462 H ASP A 1 10.118 -4.053 11.117 1.00 0.03 H HETATM 1463 H ASP A 1 8.661 -5.065 10.683 1.00 0.03 H HETATM 1464 CG2 ASP A 1 9.656 -5.759 8.565 1.00 -0.06 C HETATM 1465 H ASP A 1 9.980 -5.833 7.527 1.00 0.02 H HETATM 1466 H ASP A 1 10.284 -6.395 9.189 1.00 0.02 H HETATM 1467 H ASP A 1 8.617 -6.080 8.646 1.00 0.02 H HETATM 1468 H ASP A 1 9.169 -3.684 8.383 1.00 0.03 H HETATM 1469 H ASP A 1 11.665 -4.214 7.996 1.00 0.08 H HETATM 1470 H ASP A 1 11.874 -4.046 10.970 1.00 0.19 H HETATM 1471 CB ASP A 1 12.833 -6.134 12.131 1.00 -0.00 C HETATM 1472 CG ASP A 1 13.493 -6.431 13.470 1.00 0.00 C HETATM 1473 CD ASP A 1 13.265 -5.329 14.489 1.00 0.04 C HETATM 1474 OE1 ASP A 1 13.992 -4.314 14.442 1.00 -0.57 O HETATM 1475 OE2 ASP A 1 12.357 -5.480 15.333 1.00 -0.57 O HETATM 1476 H ASP A 1 14.567 -6.518 13.303 1.00 0.04 H HETATM 1477 H ASP A 1 13.056 -7.348 13.864 1.00 0.04 H HETATM 1478 H ASP A 1 12.360 -7.055 11.791 1.00 0.03 H HETATM 1479 H ASP A 1 12.135 -5.311 12.289 1.00 0.03 H HETATM 1480 H ASP A 1 14.437 -6.545 10.752 1.00 0.08 H HETATM 1481 H ASP A 1 14.374 -4.040 12.293 1.00 0.19 H HETATM 1482 CB ASP A 1 17.070 -3.671 13.120 1.00 0.08 C HETATM 1483 CG ASP A 1 17.950 -4.900 13.264 1.00 0.18 C HETATM 1484 OD1 ASP A 1 17.457 -6.019 13.397 1.00 -0.40 O HETATM 1485 ND2 ASP A 1 19.262 -4.695 13.242 1.00 -0.30 N HETATM 1486 H ASP A 1 19.903 -5.483 13.338 1.00 0.18 H HETATM 1487 H ASP A 1 19.629 -3.750 13.130 1.00 0.18 H HETATM 1488 H ASP A 1 16.130 -3.870 13.634 1.00 0.06 H HETATM 1489 H ASP A 1 17.608 -2.822 13.542 1.00 0.06 H HETATM 1490 H ASP A 1 17.677 -3.262 11.095 1.00 0.08 H HETATM 1491 H ASP A 1 15.557 -1.713 12.393 1.00 0.19 H HETATM 1492 CB ASP A 1 15.947 0.911 11.540 1.00 0.06 C HETATM 1493 CG ASP A 1 17.426 1.127 11.283 1.00 0.04 C HETATM 1494 OD1 ASP A 1 17.763 1.859 10.330 1.00 -0.57 O HETATM 1495 OD2 ASP A 1 18.248 0.562 12.036 1.00 -0.57 O HETATM 1496 H ASP A 1 15.842 0.450 12.522 1.00 0.05 H HETATM 1497 H ASP A 1 15.451 1.879 11.474 1.00 0.05 H HETATM 1498 H ASP A 1 15.346 0.444 9.527 1.00 0.11 H HETATM 1499 H ASP A 1 13.447 -0.861 10.166 1.00 0.20 H HETATM 1500 H ASP A 1 13.806 -0.664 11.781 1.00 0.20 H HETATM 1501 H ASP A 1 13.380 0.654 10.856 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1271 1272 1499 1500 1501 CONECT 1272 1271 1273 1492 1498 CONECT 1273 1272 1274 1275 CONECT 1274 1273 CONECT 1275 1273 1276 1491 CONECT 1276 1275 1277 1482 1490 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 1280 1481 CONECT 1280 1279 1281 1471 1480 CONECT 1281 1280 1282 1283 CONECT 1282 1281 CONECT 1283 1281 1284 1470 CONECT 1284 1283 1285 1456 1469 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 1288 1455 CONECT 1288 1287 1289 1445 1454 CONECT 1289 1288 1290 1291 CONECT 1290 1289 CONECT 1291 1289 1292 1444 CONECT 1292 1291 1293 1433 1443 CONECT 1293 1292 1294 1295 CONECT 1294 1293 CONECT 1295 1293 1296 1432 CONECT 1296 1295 1297 1418 1431 CONECT 1297 1296 1298 1299 CONECT 1298 1297 CONECT 1299 1297 1300 1417 CONECT 1300 1299 1301 1403 1416 CONECT 1301 1300 1302 1303 CONECT 1302 1301 CONECT 1303 1301 1304 1402 CONECT 1304 1303 1305 1391 1401 CONECT 1305 1304 1306 1307 CONECT 1306 1305 CONECT 1307 1305 1308 1390 CONECT 1308 1307 1309 1371 1389 CONECT 1309 1308 1310 1311 CONECT 1310 1309 CONECT 1311 1309 1312 1370 CONECT 1312 1311 1313 1360 1369 CONECT 1313 1312 1314 1315 CONECT 1314 1313 CONECT 1315 1313 1316 1359 CONECT 1316 1315 1317 1342 1358 CONECT 1317 1316 1318 1319 CONECT 1318 1317 CONECT 1319 1317 1320 1341 CONECT 1320 1319 1321 1324 1340 CONECT 1321 1320 1322 1323 CONECT 1322 1321 CONECT 1323 1321 CONECT 1324 1320 1325 1338 1339 CONECT 1325 1324 1326 1336 1337 CONECT 1326 1325 1327 1334 1335 CONECT 1327 1326 1328 1332 1333 CONECT 1328 1327 1329 1330 1331 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1328 CONECT 1332 1327 CONECT 1333 1327 CONECT 1334 1326 CONECT 1335 1326 CONECT 1336 1325 CONECT 1337 1325 CONECT 1338 1324 CONECT 1339 1324 CONECT 1340 1320 CONECT 1341 1319 CONECT 1342 1316 1343 1356 1357 CONECT 1343 1342 1344 1354 1355 CONECT 1344 1343 1345 1352 1353 CONECT 1345 1344 1346 1350 1351 CONECT 1346 1345 1347 1348 1349 CONECT 1347 1346 CONECT 1348 1346 CONECT 1349 1346 CONECT 1350 1345 CONECT 1351 1345 CONECT 1352 1344 CONECT 1353 1344 CONECT 1354 1343 CONECT 1355 1343 CONECT 1356 1342 CONECT 1357 1342 CONECT 1358 1316 CONECT 1359 1315 CONECT 1360 1312 1361 1367 1368 CONECT 1361 1360 1362 1365 1366 CONECT 1362 1361 1363 1364 CONECT 1363 1362 CONECT 1364 1362 CONECT 1365 1361 CONECT 1366 1361 CONECT 1367 1360 CONECT 1368 1360 CONECT 1369 1312 CONECT 1370 1311 CONECT 1371 1308 1372 1387 1388 CONECT 1372 1371 1373 1376 CONECT 1373 1372 1374 1386 CONECT 1374 1373 1375 1385 CONECT 1375 1374 1376 1380 CONECT 1376 1372 1375 1377 CONECT 1377 1376 1378 1384 CONECT 1378 1377 1379 1383 CONECT 1379 1378 1380 1382 CONECT 1380 1375 1379 1381 CONECT 1381 1380 CONECT 1382 1379 CONECT 1383 1378 CONECT 1384 1377 CONECT 1385 1374 CONECT 1386 1373 CONECT 1387 1371 CONECT 1388 1371 CONECT 1389 1308 CONECT 1390 1307 CONECT 1391 1304 1392 1396 1400 CONECT 1392 1391 1393 1394 1395 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1392 CONECT 1396 1391 1397 1398 1399 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1396 CONECT 1400 1391 CONECT 1401 1304 CONECT 1402 1303 CONECT 1403 1300 1404 1411 1415 CONECT 1404 1403 1405 1409 1410 CONECT 1405 1404 1406 1407 1408 CONECT 1406 1405 CONECT 1407 1405 CONECT 1408 1405 CONECT 1409 1404 CONECT 1410 1404 CONECT 1411 1403 1412 1413 1414 CONECT 1412 1411 CONECT 1413 1411 CONECT 1414 1411 CONECT 1415 1403 CONECT 1416 1300 CONECT 1417 1299 CONECT 1418 1296 1419 1426 1430 CONECT 1419 1418 1420 1424 1425 CONECT 1420 1419 1421 1422 1423 CONECT 1421 1420 CONECT 1422 1420 CONECT 1423 1420 CONECT 1424 1419 CONECT 1425 1419 CONECT 1426 1418 1427 1428 1429 CONECT 1427 1426 CONECT 1428 1426 CONECT 1429 1426 CONECT 1430 1418 CONECT 1431 1296 CONECT 1432 1295 CONECT 1433 1292 1434 1438 1442 CONECT 1434 1433 1435 1436 1437 CONECT 1435 1434 CONECT 1436 1434 CONECT 1437 1434 CONECT 1438 1433 1439 1440 1441 CONECT 1439 1438 CONECT 1440 1438 CONECT 1441 1438 CONECT 1442 1433 CONECT 1443 1292 CONECT 1444 1291 CONECT 1445 1288 1446 1452 1453 CONECT 1446 1445 1447 1450 1451 CONECT 1447 1446 1448 1449 CONECT 1448 1447 CONECT 1449 1447 CONECT 1450 1446 CONECT 1451 1446 CONECT 1452 1445 CONECT 1453 1445 CONECT 1454 1288 CONECT 1455 1287 CONECT 1456 1284 1457 1464 1468 CONECT 1457 1456 1458 1462 1463 CONECT 1458 1457 1459 1460 1461 CONECT 1459 1458 CONECT 1460 1458 CONECT 1461 1458 CONECT 1462 1457 CONECT 1463 1457 CONECT 1464 1456 1465 1466 1467 CONECT 1465 1464 CONECT 1466 1464 CONECT 1467 1464 CONECT 1468 1456 CONECT 1469 1284 CONECT 1470 1283 CONECT 1471 1280 1472 1478 1479 CONECT 1472 1471 1473 1476 1477 CONECT 1473 1472 1474 1475 CONECT 1474 1473 CONECT 1475 1473 CONECT 1476 1472 CONECT 1477 1472 CONECT 1478 1471 CONECT 1479 1471 CONECT 1480 1280 CONECT 1481 1279 CONECT 1482 1276 1483 1488 1489 CONECT 1483 1482 1484 1485 CONECT 1484 1483 CONECT 1485 1483 1486 1487 CONECT 1486 1485 CONECT 1487 1485 CONECT 1488 1482 CONECT 1489 1482 CONECT 1490 1276 CONECT 1491 1275 CONECT 1492 1272 1493 1496 1497 CONECT 1493 1492 1494 1495 CONECT 1494 1493 CONECT 1495 1493 CONECT 1496 1492 CONECT 1497 1492 CONECT 1498 1272 CONECT 1499 1271 CONECT 1500 1271 CONECT 1501 1271 MASTER 0 0 0 0 0 0 0 0 1500 1 235 6 END
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Protein
Pocket-Ligand
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Related entries of code: 2las
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g6g
RCSB PDB
PDBbind
13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1hc9
RCSB PDB
PDBbind
13-mer
1i8h
RCSB PDB
PDBbind
13-mer
1j4p
RCSB PDB
PDBbind
13-mer
1j4q
RCSB PDB
PDBbind
13-mer
1juq
RCSB PDB
PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1oeb
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2v87
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxe
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
2las
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Small ubiquitin-related modifier 1
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd~1.8uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Biol.Chem. Vol. 287: pp. 3231-3240
Ligand Properties
Formula
C
7
4
H
1
2
2
N
1
7
O
2
3
Molecular Weight
1617.860
Exact Mass
1616.890
No. of atoms
236
No. of bonds
237
Polar Surface Area
677.5
LOGP Value
-0.73 (
Computed with XLOGP3
)
0.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 63
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CC(=O)N)CCC(=O)O)CCC(=O)O)CCC(=O)O
InChI String
InChI=1S/C74H119N17O23/c1-11-38(8)59(89-66(105)47(25-28-54(95)96)82-68(107)51(34-52(78)92)85-62(101)43(77)33-56(99)100)71(110)83-48(26-29-55(97)98)65(104)87-58(37(6)7)70(109)90-61(40(10)13-3)73(112)91-60(39(9)12-2)72(111)88-57(36(4)5)69(108)86-50(32-41-35-79-44-21-15-14-20-42(41)44)67(106)81-46(24-27-53(93)94)64(103)80-45(22-16-18-30-75)63(102)84-49(74(113)114)23-17-19-31-76/h14-15,20-21,35-40,43,45-51,57-61,79H,11-13,16-19,22-34,75-77H2,1-10H3,(H2,78,92)(H,80,103)(H,81,106)(H,82,107)(H,83,110)(H,84,102)(H,85,101)(H,86,108)(H,87,104)(H,88,111)(H,89,105)(H,90,109)(H,91,112)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,113,114)/p+3/t38-,39-,40-,43-,45-,46-,47-,48-,49-,50-,51-,57-,58-,59-,60-,61-/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):
P49792
P63165
Entrez Gene ID
NCBI Entrez Gene ID:
5903
7341
ASD
Information of known allosteric effects of PDB entries
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