Browse entries in the PDBbind-CN Database
HEADER 1JUQ_COMPLEX COMPND 1JUQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 151 GLU SER LEU GLU SER TRP LEU ASN LYS ALA THR ASN PRO SEQRES 2 A 151 SER ASN ARG GLN GLU ASP TRP GLU TYR ILE ILE GLY PHE SEQRES 3 A 151 CYS ASP GLN ILE ASN LYS GLU LEU GLU GLY PRO GLN ILE SEQRES 4 A 151 ALA VAL ARG LEU LEU ALA HIS LYS ILE GLN SER PRO GLN SEQRES 5 A 151 GLU TRP GLU ALA LEU GLN ALA LEU THR VAL LEU GLU ALA SEQRES 6 A 151 CYS MSE LYS ASN CYS GLY ARG ARG PHE HIS ASN GLU VAL SEQRES 7 A 151 GLY LYS PHE ARG PHE LEU ASN GLU LEU ILE LYS VAL VAL SEQRES 8 A 151 SER PRO LYS TYR LEU GLY ASP ARG VAL SER GLU LYS VAL SEQRES 9 A 151 LYS THR LYS VAL ILE GLU LEU LEU TYR SER TRP THR MSE SEQRES 10 A 151 ALA LEU PRO GLU GLU ALA LYS ILE LYS ASP ALA TYR HIS SEQRES 11 A 151 MSE LEU LYS ARG GLN GLY ILE VAL GLN SER ASP PRO PRO SEQRES 12 A 151 ILE PRO VAL ASP ARG THR LEU ILE HET MSE A 73 17 HET MSE A 123 17 HET MSE A 137 17 HET ASP A 68 82 ATOM 1 N GLU A 7 9.153 15.016 57.309 1.00 70.85 N ATOM 2 CA GLU A 7 9.896 13.868 57.902 1.00 70.47 C ATOM 3 C GLU A 7 11.407 14.108 57.914 1.00 69.09 C ATOM 4 O GLU A 7 11.887 15.127 57.417 1.00 68.91 O ATOM 5 CB GLU A 7 9.554 12.578 57.144 1.00 71.68 C ATOM 6 CG GLU A 7 9.685 12.664 55.632 1.00 72.79 C ATOM 7 CD GLU A 7 9.027 11.487 54.925 1.00 74.97 C ATOM 8 OE1 GLU A 7 7.786 11.355 55.006 1.00 74.54 O ATOM 9 OE2 GLU A 7 9.748 10.688 54.290 1.00 76.97 O ATOM 10 HA GLU A 7 9.583 13.766 58.941 1.00 0.00 H ATOM 11 HB2 GLU A 7 10.221 11.792 57.497 1.00 0.00 H ATOM 12 HB3 GLU A 7 8.524 12.311 57.379 1.00 0.00 H ATOM 13 HG2 GLU A 7 9.213 13.586 55.291 1.00 0.00 H ATOM 14 HG3 GLU A 7 10.743 12.682 55.372 1.00 0.00 H ATOM 15 HN3 GLU A 7 9.467 15.161 56.328 1.00 0.00 H ATOM 16 HN2 GLU A 7 9.342 15.874 57.865 1.00 0.00 H ATOM 17 HN1 GLU A 7 8.134 14.811 57.321 1.00 0.00 H ATOM 18 N SER A 8 12.149 13.162 58.487 1.00 67.33 N ATOM 19 CA SER A 8 13.604 13.271 58.604 1.00 65.61 C ATOM 20 C SER A 8 14.380 12.844 57.363 1.00 63.61 C ATOM 21 O SER A 8 13.834 12.217 56.452 1.00 62.97 O ATOM 22 CB SER A 8 14.089 12.443 59.793 1.00 65.33 C ATOM 23 OG SER A 8 13.779 11.073 59.595 1.00 65.96 O ATOM 24 HA SER A 8 13.803 14.334 58.741 1.00 0.00 H ATOM 25 HB2 SER A 8 13.600 12.796 60.701 1.00 0.00 H ATOM 26 HB3 SER A 8 15.168 12.557 59.895 1.00 0.00 H ATOM 27 HG SER A 8 14.098 10.548 60.371 1.00 0.00 H ATOM 28 H SER A 8 11.678 12.315 58.865 1.00 0.00 H ATOM 29 N LEU A 9 15.667 13.179 57.350 1.00 61.84 N ATOM 30 CA LEU A 9 16.545 12.840 56.237 1.00 60.47 C ATOM 31 C LEU A 9 16.466 11.355 55.898 1.00 61.03 C ATOM 32 O LEU A 9 16.124 10.991 54.772 1.00 61.39 O ATOM 33 CB LEU A 9 17.985 13.224 56.575 1.00 58.49 C ATOM 34 CG LEU A 9 18.251 14.724 56.730 1.00 57.40 C ATOM 35 CD1 LEU A 9 19.611 14.949 57.367 1.00 54.83 C ATOM 36 CD2 LEU A 9 18.175 15.399 55.368 1.00 56.91 C ATOM 37 HA LEU A 9 16.215 13.401 55.363 1.00 0.00 H ATOM 38 HB2 LEU A 9 18.251 12.737 57.513 1.00 0.00 H ATOM 39 HB3 LEU A 9 18.628 12.850 55.778 1.00 0.00 H ATOM 40 HG LEU A 9 17.493 15.161 57.380 1.00 0.00 H ATOM 41 HD21 LEU A 9 18.924 14.964 54.706 1.00 0.00 H ATOM 42 HD22 LEU A 9 17.182 15.248 54.944 1.00 0.00 H ATOM 43 HD23 LEU A 9 18.365 16.466 55.482 1.00 0.00 H ATOM 44 HD11 LEU A 9 19.633 14.477 58.349 1.00 0.00 H ATOM 45 HD12 LEU A 9 20.384 14.511 56.735 1.00 0.00 H ATOM 46 HD13 LEU A 9 19.789 16.019 57.472 1.00 0.00 H ATOM 47 H LEU A 9 16.060 13.700 58.160 1.00 0.00 H ATOM 48 N GLU A 10 16.776 10.496 56.865 1.00 61.12 N ATOM 49 CA GLU A 10 16.726 9.059 56.621 1.00 60.86 C ATOM 50 C GLU A 10 15.336 8.659 56.164 1.00 59.56 C ATOM 51 O GLU A 10 15.173 7.767 55.326 1.00 59.00 O ATOM 52 CB GLU A 10 17.113 8.268 57.876 1.00 62.09 C ATOM 53 CG GLU A 10 16.645 8.867 59.184 1.00 66.21 C ATOM 54 CD GLU A 10 17.440 10.099 59.573 1.00 69.31 C ATOM 55 OE1 GLU A 10 18.688 10.015 59.578 1.00 68.64 O ATOM 56 OE2 GLU A 10 16.822 11.146 59.878 1.00 71.81 O ATOM 57 HA GLU A 10 17.446 8.824 55.838 1.00 0.00 H ATOM 58 HB2 GLU A 10 16.686 7.269 57.790 1.00 0.00 H ATOM 59 HB3 GLU A 10 18.200 8.196 57.908 1.00 0.00 H ATOM 60 HG2 GLU A 10 15.595 9.144 59.087 1.00 0.00 H ATOM 61 HG3 GLU A 10 16.751 8.119 59.970 1.00 0.00 H ATOM 62 H GLU A 10 17.056 10.851 57.801 1.00 0.00 H ATOM 63 N SER A 11 14.334 9.331 56.715 1.00 58.31 N ATOM 64 CA SER A 11 12.953 9.056 56.353 1.00 56.69 C ATOM 65 C SER A 11 12.793 9.243 54.850 1.00 55.15 C ATOM 66 O SER A 11 12.329 8.349 54.144 1.00 54.01 O ATOM 67 CB SER A 11 12.016 10.005 57.097 1.00 56.71 C ATOM 68 OG SER A 11 10.693 9.876 56.614 1.00 57.07 O ATOM 69 HA SER A 11 12.699 8.032 56.628 1.00 0.00 H ATOM 70 HB2 SER A 11 12.353 11.031 56.950 1.00 0.00 H ATOM 71 HB3 SER A 11 12.035 9.767 58.161 1.00 0.00 H ATOM 72 HG SER A 11 10.673 10.095 55.649 1.00 0.00 H ATOM 73 H SER A 11 14.540 10.068 57.419 1.00 0.00 H ATOM 74 N TRP A 12 13.190 10.414 54.368 1.00 54.47 N ATOM 75 CA TRP A 12 13.104 10.729 52.946 1.00 53.56 C ATOM 76 C TRP A 12 13.960 9.794 52.096 1.00 51.68 C ATOM 77 O TRP A 12 13.489 9.237 51.103 1.00 50.54 O ATOM 78 CB TRP A 12 13.554 12.170 52.691 1.00 54.74 C ATOM 79 CG TRP A 12 12.549 13.217 53.054 1.00 55.76 C ATOM 80 CD1 TRP A 12 12.693 14.205 53.986 1.00 56.86 C ATOM 81 CD2 TRP A 12 11.269 13.419 52.449 1.00 56.56 C ATOM 82 NE1 TRP A 12 11.583 15.014 53.994 1.00 56.89 N ATOM 83 CE2 TRP A 12 10.693 14.554 53.060 1.00 57.16 C ATOM 84 CE3 TRP A 12 10.552 12.753 51.447 1.00 57.08 C ATOM 85 CZ2 TRP A 12 9.431 15.040 52.700 1.00 58.03 C ATOM 86 CZ3 TRP A 12 9.297 13.234 51.089 1.00 58.12 C ATOM 87 CH2 TRP A 12 8.751 14.368 51.715 1.00 58.35 C ATOM 88 HA TRP A 12 12.060 10.600 52.659 1.00 0.00 H ATOM 89 HB2 TRP A 12 14.457 12.351 53.273 1.00 0.00 H ATOM 90 HB3 TRP A 12 13.781 12.271 51.630 1.00 0.00 H ATOM 91 HE1 TRP A 12 11.441 15.841 54.609 1.00 0.00 H ATOM 92 HD1 TRP A 12 13.563 14.333 54.630 1.00 0.00 H ATOM 93 HZ2 TRP A 12 9.004 15.919 53.183 1.00 0.00 H ATOM 94 HH2 TRP A 12 7.766 14.722 51.411 1.00 0.00 H ATOM 95 HZ3 TRP A 12 8.728 12.724 50.311 1.00 0.00 H ATOM 96 HE3 TRP A 12 10.970 11.874 50.957 1.00 0.00 H ATOM 97 H TRP A 12 13.573 11.127 55.022 1.00 0.00 H ATOM 98 N LEU A 13 15.218 9.622 52.489 1.00 49.97 N ATOM 99 CA LEU A 13 16.122 8.777 51.720 1.00 49.20 C ATOM 100 C LEU A 13 15.623 7.342 51.630 1.00 48.82 C ATOM 101 O LEU A 13 15.607 6.757 50.547 1.00 46.22 O ATOM 102 CB LEU A 13 17.533 8.804 52.320 1.00 48.96 C ATOM 103 CG LEU A 13 18.633 8.262 51.394 1.00 49.37 C ATOM 104 CD1 LEU A 13 18.705 9.145 50.151 1.00 49.20 C ATOM 105 CD2 LEU A 13 19.975 8.247 52.109 1.00 46.14 C ATOM 106 HA LEU A 13 16.155 9.183 50.709 1.00 0.00 H ATOM 107 HB2 LEU A 13 17.777 9.837 52.570 1.00 0.00 H ATOM 108 HB3 LEU A 13 17.527 8.203 53.229 1.00 0.00 H ATOM 109 HG LEU A 13 18.395 7.238 51.107 1.00 0.00 H ATOM 110 HD21 LEU A 13 20.235 9.261 52.412 1.00 0.00 H ATOM 111 HD22 LEU A 13 19.909 7.609 52.990 1.00 0.00 H ATOM 112 HD23 LEU A 13 20.740 7.860 51.436 1.00 0.00 H ATOM 113 HD11 LEU A 13 17.744 9.125 49.637 1.00 0.00 H ATOM 114 HD12 LEU A 13 18.939 10.168 50.446 1.00 0.00 H ATOM 115 HD13 LEU A 13 19.483 8.770 49.485 1.00 0.00 H ATOM 116 H LEU A 13 15.559 10.094 53.351 1.00 0.00 H ATOM 117 N ASN A 14 15.209 6.781 52.765 1.00 48.95 N ATOM 118 CA ASN A 14 14.715 5.410 52.788 1.00 50.05 C ATOM 119 C ASN A 14 13.605 5.187 51.769 1.00 50.37 C ATOM 120 O ASN A 14 13.563 4.152 51.100 1.00 50.22 O ATOM 121 CB ASN A 14 14.241 5.036 54.193 1.00 48.96 C ATOM 122 CG ASN A 14 15.393 4.900 55.169 1.00 49.80 C ATOM 123 OD1 ASN A 14 16.525 4.616 54.767 1.00 49.14 O ATOM 124 ND2 ASN A 14 15.114 5.085 56.456 1.00 50.28 N ATOM 125 HA ASN A 14 15.544 4.759 52.511 1.00 0.00 H ATOM 126 HB2 ASN A 14 13.565 5.811 54.554 1.00 0.00 H ATOM 127 HB3 ASN A 14 13.709 4.086 54.143 1.00 0.00 H ATOM 128 HD22 ASN A 14 14.145 5.323 56.749 1.00 0.00 H ATOM 129 HD21 ASN A 14 15.865 4.992 57.170 1.00 0.00 H ATOM 130 H ASN A 14 15.239 7.330 53.648 1.00 0.00 H ATOM 131 N LYS A 15 12.712 6.160 51.638 1.00 52.35 N ATOM 132 CA LYS A 15 11.632 6.049 50.664 1.00 54.24 C ATOM 133 C LYS A 15 12.187 6.296 49.263 1.00 53.80 C ATOM 134 O LYS A 15 11.786 5.641 48.298 1.00 54.10 O ATOM 135 CB LYS A 15 10.525 7.064 50.966 1.00 56.58 C ATOM 136 CG LYS A 15 9.819 6.835 52.299 1.00 60.09 C ATOM 137 CD LYS A 15 8.705 7.847 52.518 1.00 60.90 C ATOM 138 CE LYS A 15 8.026 7.640 53.863 1.00 61.89 C ATOM 139 NZ LYS A 15 6.958 8.653 54.107 1.00 62.92 N ATOM 140 HA LYS A 15 11.208 5.047 50.722 1.00 0.00 H ATOM 141 HB2 LYS A 15 10.967 8.060 50.979 1.00 0.00 H ATOM 142 HB3 LYS A 15 9.782 7.008 50.170 1.00 0.00 H ATOM 143 HG2 LYS A 15 9.394 5.831 52.308 1.00 0.00 H ATOM 144 HG3 LYS A 15 10.546 6.927 53.106 1.00 0.00 H ATOM 145 HD2 LYS A 15 9.126 8.852 52.484 1.00 0.00 H ATOM 146 HD3 LYS A 15 7.965 7.737 51.726 1.00 0.00 H ATOM 147 HE2 LYS A 15 8.774 7.719 54.652 1.00 0.00 H ATOM 148 HE3 LYS A 15 7.581 6.645 53.884 1.00 0.00 H ATOM 149 HZ1 LYS A 15 7.376 9.605 54.095 1.00 0.00 H ATOM 150 HZ2 LYS A 15 6.236 8.580 53.362 1.00 0.00 H ATOM 151 HZ3 LYS A 15 6.520 8.477 55.034 1.00 0.00 H ATOM 152 H LYS A 15 12.783 7.009 52.235 1.00 0.00 H ATOM 153 N ALA A 16 13.117 7.239 49.164 1.00 53.21 N ATOM 154 CA ALA A 16 13.728 7.586 47.885 1.00 53.92 C ATOM 155 C ALA A 16 14.698 6.525 47.362 1.00 54.30 C ATOM 156 O ALA A 16 15.068 6.544 46.189 1.00 54.31 O ATOM 157 CB ALA A 16 14.440 8.918 48.008 1.00 53.59 C ATOM 158 HA ALA A 16 12.919 7.648 47.158 1.00 0.00 H ATOM 159 HB1 ALA A 16 13.721 9.688 48.288 1.00 0.00 H ATOM 160 HB2 ALA A 16 15.214 8.846 48.772 1.00 0.00 H ATOM 161 HB3 ALA A 16 14.895 9.175 47.052 1.00 0.00 H ATOM 162 H ALA A 16 13.418 7.744 50.022 1.00 0.00 H ATOM 163 N THR A 17 15.106 5.597 48.222 1.00 54.62 N ATOM 164 CA THR A 17 16.039 4.555 47.807 1.00 55.01 C ATOM 165 C THR A 17 15.535 3.149 48.113 1.00 56.97 C ATOM 166 O THR A 17 16.286 2.181 48.029 1.00 55.95 O ATOM 167 CB THR A 17 17.407 4.744 48.482 1.00 54.36 C ATOM 168 OG1 THR A 17 17.253 4.686 49.905 1.00 53.29 O ATOM 169 CG2 THR A 17 18.005 6.088 48.095 1.00 52.65 C ATOM 170 HA THR A 17 16.133 4.654 46.726 1.00 0.00 H ATOM 171 HB THR A 17 18.075 3.949 48.151 1.00 0.00 H ATOM 172 HG1 THR A 17 16.639 5.404 50.199 1.00 0.00 H ATOM 173 HG23 THR A 17 18.123 6.134 47.012 1.00 0.00 H ATOM 174 HG21 THR A 17 17.341 6.888 48.424 1.00 0.00 H ATOM 175 HG22 THR A 17 18.978 6.202 48.573 1.00 0.00 H ATOM 176 H THR A 17 14.756 5.614 49.201 1.00 0.00 H ATOM 177 N ASN A 18 14.257 3.045 48.461 1.00 59.61 N ATOM 178 CA ASN A 18 13.644 1.760 48.777 1.00 60.74 C ATOM 179 C ASN A 18 13.800 0.756 47.636 1.00 62.12 C ATOM 180 O ASN A 18 13.373 1.010 46.506 1.00 61.66 O ATOM 181 CB ASN A 18 12.158 1.946 49.077 1.00 61.50 C ATOM 182 CG ASN A 18 11.516 0.690 49.626 1.00 62.65 C ATOM 183 OD1 ASN A 18 11.672 -0.396 49.065 1.00 63.51 O ATOM 184 ND2 ASN A 18 10.786 0.830 50.726 1.00 61.92 N ATOM 185 HA ASN A 18 14.158 1.365 49.653 1.00 0.00 H ATOM 186 HB2 ASN A 18 12.046 2.745 49.810 1.00 0.00 H ATOM 187 HB3 ASN A 18 11.647 2.226 48.156 1.00 0.00 H ATOM 188 HD22 ASN A 18 10.682 1.767 51.165 1.00 0.00 H ATOM 189 HD21 ASN A 18 10.318 0.003 51.148 1.00 0.00 H ATOM 190 H ASN A 18 13.676 3.906 48.510 1.00 0.00 H ATOM 191 N PRO A 19 14.409 -0.407 47.926 1.00 62.54 N ATOM 192 CA PRO A 19 14.647 -1.486 46.961 1.00 62.66 C ATOM 193 C PRO A 19 13.354 -2.040 46.370 1.00 63.78 C ATOM 194 O PRO A 19 13.376 -2.779 45.384 1.00 63.09 O ATOM 195 CB PRO A 19 15.381 -2.533 47.794 1.00 63.30 C ATOM 196 CG PRO A 19 16.078 -1.714 48.844 1.00 62.75 C ATOM 197 CD PRO A 19 15.006 -0.741 49.232 1.00 62.60 C ATOM 198 HA PRO A 19 15.211 -1.151 46.090 1.00 0.00 H ATOM 199 HD3 PRO A 19 14.275 -1.201 49.896 1.00 0.00 H ATOM 200 HD2 PRO A 19 15.427 0.142 49.713 1.00 0.00 H ATOM 201 HG3 PRO A 19 16.950 -1.203 48.436 1.00 0.00 H ATOM 202 HG2 PRO A 19 16.382 -2.329 49.691 1.00 0.00 H ATOM 203 HB2 PRO A 19 14.680 -3.234 48.247 1.00 0.00 H ATOM 204 HB3 PRO A 19 16.100 -3.082 47.186 1.00 0.00 H ATOM 205 N SER A 20 12.228 -1.681 46.980 1.00 64.61 N ATOM 206 CA SER A 20 10.925 -2.148 46.521 1.00 65.80 C ATOM 207 C SER A 20 10.331 -1.262 45.429 1.00 66.15 C ATOM 208 O SER A 20 9.576 -1.741 44.586 1.00 66.08 O ATOM 209 CB SER A 20 9.946 -2.228 47.695 1.00 65.08 C ATOM 210 OG SER A 20 10.422 -3.099 48.705 1.00 65.26 O ATOM 211 HA SER A 20 11.083 -3.138 46.093 1.00 0.00 H ATOM 212 HB2 SER A 20 8.986 -2.596 47.332 1.00 0.00 H ATOM 213 HB3 SER A 20 9.816 -1.232 48.118 1.00 0.00 H ATOM 214 HG SER A 20 11.292 -2.767 49.042 1.00 0.00 H ATOM 215 H SER A 20 12.278 -1.051 47.806 1.00 0.00 H ATOM 216 N ASN A 21 10.671 0.025 45.446 1.00 67.47 N ATOM 217 CA ASN A 21 10.149 0.962 44.453 1.00 68.23 C ATOM 218 C ASN A 21 10.094 0.334 43.071 1.00 69.23 C ATOM 219 O ASN A 21 11.022 -0.358 42.654 1.00 69.89 O ATOM 220 CB ASN A 21 11.004 2.228 44.392 1.00 67.32 C ATOM 221 CG ASN A 21 11.007 2.991 45.694 1.00 67.12 C ATOM 222 OD1 ASN A 21 9.973 3.140 46.341 1.00 66.77 O ATOM 223 ND2 ASN A 21 12.172 3.494 46.081 1.00 69.12 N ATOM 224 HA ASN A 21 9.137 1.222 44.764 1.00 0.00 H ATOM 225 HB2 ASN A 21 12.029 1.946 44.150 1.00 0.00 H ATOM 226 HB3 ASN A 21 10.612 2.876 43.608 1.00 0.00 H ATOM 227 HD22 ASN A 21 13.022 3.343 45.501 1.00 0.00 H ATOM 228 HD21 ASN A 21 12.235 4.040 46.964 1.00 0.00 H ATOM 229 H ASN A 21 11.321 0.371 46.181 1.00 0.00 H ATOM 230 N ARG A 22 8.995 0.574 42.367 1.00 70.46 N ATOM 231 CA ARG A 22 8.826 0.033 41.027 1.00 72.47 C ATOM 232 C ARG A 22 9.501 0.947 40.016 1.00 71.84 C ATOM 233 O ARG A 22 9.810 0.540 38.898 1.00 72.21 O ATOM 234 CB ARG A 22 7.339 -0.100 40.697 1.00 74.63 C ATOM 235 CG ARG A 22 6.589 -1.075 41.591 1.00 78.35 C ATOM 236 CD ARG A 22 5.150 -1.243 41.125 1.00 82.32 C ATOM 237 NE ARG A 22 4.429 -2.247 41.905 1.00 85.34 N ATOM 238 CZ ARG A 22 3.176 -2.624 41.661 1.00 87.20 C ATOM 239 NH1 ARG A 22 2.501 -2.080 40.654 1.00 87.59 N ATOM 240 NH2 ARG A 22 2.596 -3.546 42.423 1.00 87.72 N ATOM 241 HA ARG A 22 9.286 -0.954 40.982 1.00 0.00 H ATOM 242 HB2 ARG A 22 6.877 0.882 40.797 1.00 0.00 H ATOM 243 HB3 ARG A 22 7.246 -0.440 39.666 1.00 0.00 H ATOM 244 HG2 ARG A 22 7.089 -2.043 41.562 1.00 0.00 H ATOM 245 HG3 ARG A 22 6.591 -0.697 42.613 1.00 0.00 H ATOM 246 HD2 ARG A 22 5.153 -1.547 40.078 1.00 0.00 H ATOM 247 HD3 ARG A 22 4.636 -0.287 41.222 1.00 0.00 H ATOM 248 HE ARG A 22 4.926 -2.695 42.701 1.00 0.00 H ATOM 249 HH12 ARG A 22 1.522 -2.375 40.464 1.00 0.00 H ATOM 250 HH11 ARG A 22 2.952 -1.359 40.055 1.00 0.00 H ATOM 251 HH22 ARG A 22 1.617 -3.839 42.230 1.00 0.00 H ATOM 252 HH21 ARG A 22 3.121 -3.974 43.212 1.00 0.00 H ATOM 253 H ARG A 22 8.241 1.159 42.780 1.00 0.00 H ATOM 254 N GLN A 23 9.735 2.186 40.432 1.00 71.79 N ATOM 255 CA GLN A 23 10.366 3.191 39.587 1.00 71.02 C ATOM 256 C GLN A 23 10.921 4.293 40.476 1.00 70.00 C ATOM 257 O GLN A 23 10.697 4.297 41.688 1.00 69.42 O ATOM 258 CB GLN A 23 9.332 3.789 38.637 1.00 72.49 C ATOM 259 CG GLN A 23 8.132 4.382 39.362 1.00 74.38 C ATOM 260 CD GLN A 23 7.024 4.793 38.415 1.00 77.02 C ATOM 261 OE1 GLN A 23 6.559 3.991 37.601 1.00 77.88 O ATOM 262 NE2 GLN A 23 6.588 6.045 38.519 1.00 77.24 N ATOM 263 HA GLN A 23 11.166 2.733 39.005 1.00 0.00 H ATOM 264 HB2 GLN A 23 9.810 4.576 38.054 1.00 0.00 H ATOM 265 HB3 GLN A 23 8.981 3.004 37.967 1.00 0.00 H ATOM 266 HG2 GLN A 23 7.740 3.638 40.056 1.00 0.00 H ATOM 267 HG3 GLN A 23 8.459 5.260 39.919 1.00 0.00 H ATOM 268 HE22 GLN A 23 7.010 6.686 39.221 1.00 0.00 H ATOM 269 HE21 GLN A 23 5.825 6.383 37.899 1.00 0.00 H ATOM 270 H GLN A 23 9.457 2.449 41.399 1.00 0.00 H ATOM 271 N GLU A 24 11.644 5.229 39.874 1.00 68.31 N ATOM 272 CA GLU A 24 12.199 6.336 40.633 1.00 67.59 C ATOM 273 C GLU A 24 11.049 7.208 41.118 1.00 66.11 C ATOM 274 O GLU A 24 10.143 7.534 40.352 1.00 66.23 O ATOM 275 CB GLU A 24 13.140 7.164 39.761 1.00 68.09 C ATOM 276 CG GLU A 24 14.328 6.392 39.235 1.00 70.49 C ATOM 277 CD GLU A 24 15.250 7.255 38.403 1.00 72.32 C ATOM 278 OE1 GLU A 24 14.945 8.454 38.232 1.00 73.39 O ATOM 279 OE2 GLU A 24 16.277 6.735 37.917 1.00 73.45 O ATOM 280 HA GLU A 24 12.768 5.951 41.479 1.00 0.00 H ATOM 281 HB2 GLU A 24 12.574 7.544 38.911 1.00 0.00 H ATOM 282 HB3 GLU A 24 13.510 8.001 40.354 1.00 0.00 H ATOM 283 HG2 GLU A 24 14.889 5.992 40.080 1.00 0.00 H ATOM 284 HG3 GLU A 24 13.967 5.569 38.619 1.00 0.00 H ATOM 285 H GLU A 24 11.815 5.169 38.850 1.00 0.00 H ATOM 286 N ASP A 25 11.080 7.568 42.396 1.00 64.16 N ATOM 287 CA ASP A 25 10.046 8.410 42.976 1.00 63.50 C ATOM 288 C ASP A 25 10.607 9.797 43.257 1.00 61.87 C ATOM 289 O ASP A 25 11.007 10.102 44.381 1.00 59.95 O ATOM 290 CB ASP A 25 9.512 7.782 44.265 1.00 65.80 C ATOM 291 CG ASP A 25 8.626 6.575 44.000 1.00 67.95 C ATOM 292 OD1 ASP A 25 8.424 6.227 42.817 1.00 68.69 O ATOM 293 OD2 ASP A 25 8.125 5.976 44.974 1.00 71.09 O ATOM 294 HA ASP A 25 9.222 8.498 42.268 1.00 0.00 H ATOM 295 HB2 ASP A 25 10.357 7.468 44.878 1.00 0.00 H ATOM 296 HB3 ASP A 25 8.932 8.530 44.805 1.00 0.00 H ATOM 297 H ASP A 25 11.863 7.240 42.997 1.00 0.00 H ATOM 298 N TRP A 26 10.634 10.633 42.222 1.00 60.53 N ATOM 299 CA TRP A 26 11.161 11.984 42.346 1.00 59.46 C ATOM 300 C TRP A 26 10.447 12.803 43.399 1.00 59.44 C ATOM 301 O TRP A 26 10.851 13.920 43.699 1.00 59.92 O ATOM 302 CB TRP A 26 11.127 12.705 40.996 1.00 57.06 C ATOM 303 CG TRP A 26 12.195 12.210 40.069 1.00 55.20 C ATOM 304 CD1 TRP A 26 12.088 11.196 39.162 1.00 54.36 C ATOM 305 CD2 TRP A 26 13.562 12.645 40.026 1.00 52.98 C ATOM 306 NE1 TRP A 26 13.306 10.968 38.559 1.00 55.22 N ATOM 307 CE2 TRP A 26 14.228 11.842 39.071 1.00 53.30 C ATOM 308 CE3 TRP A 26 14.289 13.633 40.704 1.00 52.12 C ATOM 309 CZ2 TRP A 26 15.588 11.995 38.777 1.00 51.42 C ATOM 310 CZ3 TRP A 26 15.644 13.786 40.411 1.00 51.55 C ATOM 311 CH2 TRP A 26 16.278 12.968 39.454 1.00 51.99 C ATOM 312 HA TRP A 26 12.196 11.882 42.674 1.00 0.00 H ATOM 313 HB2 TRP A 26 10.154 12.540 40.533 1.00 0.00 H ATOM 314 HB3 TRP A 26 11.272 13.772 41.163 1.00 0.00 H ATOM 315 HE1 TRP A 26 13.495 10.248 37.832 1.00 0.00 H ATOM 316 HD1 TRP A 26 11.172 10.646 38.946 1.00 0.00 H ATOM 317 HZ2 TRP A 26 16.081 11.364 38.037 1.00 0.00 H ATOM 318 HH2 TRP A 26 17.339 13.112 39.248 1.00 0.00 H ATOM 319 HZ3 TRP A 26 16.222 14.550 40.930 1.00 0.00 H ATOM 320 HE3 TRP A 26 13.805 14.269 41.445 1.00 0.00 H ATOM 321 H TRP A 26 10.270 10.313 41.302 1.00 0.00 H ATOM 322 N GLU A 27 9.390 12.238 43.968 1.00 61.08 N ATOM 323 CA GLU A 27 8.643 12.919 45.009 1.00 61.92 C ATOM 324 C GLU A 27 9.541 12.981 46.238 1.00 60.55 C ATOM 325 O GLU A 27 9.740 14.040 46.829 1.00 60.41 O ATOM 326 CB GLU A 27 7.370 12.141 45.352 1.00 66.36 C ATOM 327 CG GLU A 27 6.584 11.639 44.144 1.00 72.62 C ATOM 328 CD GLU A 27 5.264 10.983 44.535 1.00 76.22 C ATOM 329 OE1 GLU A 27 5.286 10.004 45.318 1.00 76.43 O ATOM 330 OE2 GLU A 27 4.203 11.450 44.058 1.00 77.94 O ATOM 331 HA GLU A 27 8.353 13.915 44.676 1.00 0.00 H ATOM 332 HB2 GLU A 27 7.651 11.279 45.957 1.00 0.00 H ATOM 333 HB3 GLU A 27 6.719 12.794 45.933 1.00 0.00 H ATOM 334 HG2 GLU A 27 6.374 12.484 43.488 1.00 0.00 H ATOM 335 HG3 GLU A 27 7.192 10.909 43.610 1.00 0.00 H ATOM 336 H GLU A 27 9.091 11.290 43.662 1.00 0.00 H ATOM 337 N TYR A 28 10.097 11.832 46.607 1.00 59.60 N ATOM 338 CA TYR A 28 10.964 11.751 47.775 1.00 58.72 C ATOM 339 C TYR A 28 12.382 12.246 47.496 1.00 55.73 C ATOM 340 O TYR A 28 13.067 12.718 48.402 1.00 54.93 O ATOM 341 CB TYR A 28 11.013 10.312 48.298 1.00 62.15 C ATOM 342 CG TYR A 28 9.660 9.639 48.387 1.00 64.72 C ATOM 343 CD1 TYR A 28 8.751 9.981 49.390 1.00 66.39 C ATOM 344 CD2 TYR A 28 9.284 8.668 47.459 1.00 66.76 C ATOM 345 CE1 TYR A 28 7.498 9.369 49.467 1.00 67.32 C ATOM 346 CE2 TYR A 28 8.037 8.050 47.526 1.00 67.96 C ATOM 347 CZ TYR A 28 7.149 8.406 48.530 1.00 68.18 C ATOM 348 OH TYR A 28 5.914 7.804 48.589 1.00 68.94 O ATOM 349 HA TYR A 28 10.535 12.409 48.531 1.00 0.00 H ATOM 350 HB3 TYR A 28 11.455 10.325 49.294 1.00 0.00 H ATOM 351 HB2 TYR A 28 11.644 9.726 47.629 1.00 0.00 H ATOM 352 HD2 TYR A 28 9.978 8.388 46.667 1.00 0.00 H ATOM 353 HE2 TYR A 28 7.761 7.291 46.794 1.00 0.00 H ATOM 354 HE1 TYR A 28 6.799 9.645 50.257 1.00 0.00 H ATOM 355 HD1 TYR A 28 9.024 10.738 50.125 1.00 0.00 H ATOM 356 HH TYR A 28 5.407 8.168 49.358 1.00 0.00 H ATOM 357 H TYR A 28 9.910 10.973 46.051 1.00 0.00 H ATOM 358 N ILE A 29 12.826 12.138 46.249 1.00 52.81 N ATOM 359 CA ILE A 29 14.166 12.593 45.901 1.00 51.81 C ATOM 360 C ILE A 29 14.290 14.087 46.168 1.00 49.67 C ATOM 361 O ILE A 29 15.234 14.538 46.825 1.00 48.60 O ATOM 362 CB ILE A 29 14.493 12.323 44.420 1.00 50.88 C ATOM 363 CG1 ILE A 29 14.503 10.817 44.155 1.00 52.76 C ATOM 364 CG2 ILE A 29 15.846 12.920 44.071 1.00 51.98 C ATOM 365 CD1 ILE A 29 14.768 10.446 42.699 1.00 51.60 C ATOM 366 HA ILE A 29 14.872 12.036 46.518 1.00 0.00 H ATOM 367 HB ILE A 29 13.729 12.788 43.797 1.00 0.00 H ATOM 368 HG12 ILE A 29 15.280 10.365 44.771 1.00 0.00 H ATOM 369 HG13 ILE A 29 13.533 10.412 44.441 1.00 0.00 H ATOM 370 HD11 ILE A 29 13.992 10.880 42.068 1.00 0.00 H ATOM 371 HD12 ILE A 29 15.741 10.833 42.398 1.00 0.00 H ATOM 372 HD13 ILE A 29 14.759 9.361 42.594 1.00 0.00 H ATOM 373 HG21 ILE A 29 15.822 13.996 44.244 1.00 0.00 H ATOM 374 HG22 ILE A 29 16.614 12.467 44.698 1.00 0.00 H ATOM 375 HG23 ILE A 29 16.069 12.724 43.022 1.00 0.00 H ATOM 376 H ILE A 29 12.214 11.726 45.516 1.00 0.00 H ATOM 377 N ILE A 30 13.332 14.854 45.653 1.00 48.35 N ATOM 378 CA ILE A 30 13.328 16.299 45.849 1.00 47.10 C ATOM 379 C ILE A 30 13.108 16.616 47.325 1.00 45.75 C ATOM 380 O ILE A 30 13.720 17.535 47.865 1.00 46.45 O ATOM 381 CB ILE A 30 12.219 16.985 45.002 1.00 46.87 C ATOM 382 CG1 ILE A 30 12.523 16.824 43.510 1.00 45.79 C ATOM 383 CG2 ILE A 30 12.128 18.463 45.354 1.00 46.49 C ATOM 384 CD1 ILE A 30 13.840 17.467 43.069 1.00 45.25 C ATOM 385 HA ILE A 30 14.294 16.685 45.523 1.00 0.00 H ATOM 386 HB ILE A 30 11.264 16.509 45.224 1.00 0.00 H ATOM 387 HG12 ILE A 30 12.568 15.759 43.282 1.00 0.00 H ATOM 388 HG13 ILE A 30 11.712 17.281 42.944 1.00 0.00 H ATOM 389 HD11 ILE A 30 13.808 18.536 43.278 1.00 0.00 H ATOM 390 HD12 ILE A 30 14.666 17.013 43.617 1.00 0.00 H ATOM 391 HD13 ILE A 30 13.980 17.308 42.000 1.00 0.00 H ATOM 392 HG21 ILE A 30 11.887 18.569 46.412 1.00 0.00 H ATOM 393 HG22 ILE A 30 13.084 18.944 45.148 1.00 0.00 H ATOM 394 HG23 ILE A 30 11.348 18.931 44.754 1.00 0.00 H ATOM 395 H ILE A 30 12.570 14.413 45.099 1.00 0.00 H ATOM 396 N GLY A 31 12.241 15.844 47.974 1.00 46.47 N ATOM 397 CA GLY A 31 11.963 16.061 49.387 1.00 47.84 C ATOM 398 C GLY A 31 13.197 15.888 50.253 1.00 47.90 C ATOM 399 O GLY A 31 13.378 16.583 51.255 1.00 47.25 O ATOM 400 HA3 GLY A 31 11.206 15.346 49.709 1.00 0.00 H ATOM 401 HA2 GLY A 31 11.583 17.074 49.518 1.00 0.00 H ATOM 402 H GLY A 31 11.756 15.077 47.467 1.00 0.00 H ATOM 403 N PHE A 32 14.044 14.939 49.869 1.00 49.45 N ATOM 404 CA PHE A 32 15.282 14.680 50.586 1.00 47.72 C ATOM 405 C PHE A 32 16.178 15.900 50.406 1.00 47.55 C ATOM 406 O PHE A 32 16.835 16.343 51.345 1.00 47.88 O ATOM 407 CB PHE A 32 15.966 13.437 50.011 1.00 48.14 C ATOM 408 CG PHE A 32 17.284 13.111 50.658 1.00 48.19 C ATOM 409 CD1 PHE A 32 17.349 12.771 52.005 1.00 48.38 C ATOM 410 CD2 PHE A 32 18.459 13.136 49.916 1.00 48.50 C ATOM 411 CE1 PHE A 32 18.565 12.459 52.604 1.00 48.02 C ATOM 412 CE2 PHE A 32 19.683 12.827 50.503 1.00 47.62 C ATOM 413 CZ PHE A 32 19.737 12.487 51.850 1.00 49.47 C ATOM 414 HA PHE A 32 15.086 14.502 51.643 1.00 0.00 H ATOM 415 HB2 PHE A 32 15.299 12.586 50.144 1.00 0.00 H ATOM 416 HB3 PHE A 32 16.137 13.601 48.947 1.00 0.00 H ATOM 417 HD2 PHE A 32 18.422 13.401 48.859 1.00 0.00 H ATOM 418 HE2 PHE A 32 20.596 12.852 49.908 1.00 0.00 H ATOM 419 HZ PHE A 32 20.692 12.243 52.315 1.00 0.00 H ATOM 420 HE1 PHE A 32 18.601 12.193 53.660 1.00 0.00 H ATOM 421 HD1 PHE A 32 16.435 12.749 52.599 1.00 0.00 H ATOM 422 H PHE A 32 13.815 14.365 49.032 1.00 0.00 H ATOM 423 N CYS A 33 16.182 16.450 49.194 1.00 46.82 N ATOM 424 CA CYS A 33 17.000 17.621 48.875 1.00 46.68 C ATOM 425 C CYS A 33 16.634 18.886 49.660 1.00 47.95 C ATOM 426 O CYS A 33 17.513 19.538 50.243 1.00 45.42 O ATOM 427 CB CYS A 33 16.926 17.914 47.378 1.00 46.93 C ATOM 428 SG CYS A 33 17.721 16.666 46.336 1.00 43.89 S ATOM 429 HA CYS A 33 18.015 17.361 49.175 1.00 0.00 H ATOM 430 HB2 CYS A 33 17.410 18.873 47.193 1.00 0.00 H ATOM 431 HB3 CYS A 33 15.876 17.978 47.094 1.00 0.00 H ATOM 432 HG CYS A 33 17.113 15.444 46.540 1.00 0.00 H ATOM 433 H CYS A 33 15.585 16.035 48.450 1.00 0.00 H ATOM 434 N ASP A 34 15.351 19.247 49.660 1.00 48.69 N ATOM 435 CA ASP A 34 14.902 20.430 50.391 1.00 50.33 C ATOM 436 C ASP A 34 15.131 20.201 51.879 1.00 50.94 C ATOM 437 O ASP A 34 15.398 21.135 52.632 1.00 52.28 O ATOM 438 CB ASP A 34 13.414 20.704 50.146 1.00 50.65 C ATOM 439 CG ASP A 34 13.095 20.963 48.687 1.00 50.29 C ATOM 440 OD1 ASP A 34 13.800 21.770 48.049 1.00 48.82 O ATOM 441 OD2 ASP A 34 12.127 20.365 48.178 1.00 52.93 O ATOM 442 HA ASP A 34 15.469 21.293 50.041 1.00 0.00 H ATOM 443 HB2 ASP A 34 12.841 19.839 50.479 1.00 0.00 H ATOM 444 HB3 ASP A 34 13.121 21.578 50.727 1.00 0.00 H ATOM 445 H ASP A 34 14.659 18.678 49.132 1.00 0.00 H ATOM 446 N GLN A 35 15.020 18.949 52.302 1.00 51.72 N ATOM 447 CA GLN A 35 15.238 18.621 53.700 1.00 52.36 C ATOM 448 C GLN A 35 16.672 19.021 54.028 1.00 53.22 C ATOM 449 O GLN A 35 16.922 19.770 54.973 1.00 55.11 O ATOM 450 CB GLN A 35 15.045 17.123 53.931 1.00 53.91 C ATOM 451 CG GLN A 35 15.001 16.731 55.392 1.00 56.66 C ATOM 452 CD GLN A 35 13.818 17.346 56.109 1.00 59.82 C ATOM 453 OE1 GLN A 35 12.662 17.035 55.802 1.00 60.08 O ATOM 454 NE2 GLN A 35 14.097 18.231 57.066 1.00 58.41 N ATOM 455 HA GLN A 35 14.528 19.147 54.338 1.00 0.00 H ATOM 456 HB2 GLN A 35 14.107 16.821 53.466 1.00 0.00 H ATOM 457 HB3 GLN A 35 15.871 16.593 53.457 1.00 0.00 H ATOM 458 HG2 GLN A 35 14.931 15.646 55.463 1.00 0.00 H ATOM 459 HG3 GLN A 35 15.919 17.067 55.875 1.00 0.00 H ATOM 460 HE22 GLN A 35 15.086 18.461 57.289 1.00 0.00 H ATOM 461 HE21 GLN A 35 13.325 18.692 57.589 1.00 0.00 H ATOM 462 H GLN A 35 14.775 18.196 51.628 1.00 0.00 H ATOM 463 N ILE A 36 17.612 18.528 53.228 1.00 51.91 N ATOM 464 CA ILE A 36 19.021 18.837 53.424 1.00 51.29 C ATOM 465 C ILE A 36 19.225 20.343 53.497 1.00 51.54 C ATOM 466 O ILE A 36 20.051 20.828 54.268 1.00 51.21 O ATOM 467 CB ILE A 36 19.887 18.280 52.265 1.00 50.92 C ATOM 468 CG1 ILE A 36 19.835 16.752 52.265 1.00 49.50 C ATOM 469 CG2 ILE A 36 21.320 18.776 52.392 1.00 48.07 C ATOM 470 CD1 ILE A 36 20.600 16.115 51.124 1.00 50.96 C ATOM 471 HA ILE A 36 19.329 18.368 54.359 1.00 0.00 H ATOM 472 HB ILE A 36 19.488 18.639 51.316 1.00 0.00 H ATOM 473 HG12 ILE A 36 20.256 16.393 53.204 1.00 0.00 H ATOM 474 HG13 ILE A 36 18.792 16.443 52.195 1.00 0.00 H ATOM 475 HD11 ILE A 36 20.184 16.454 50.175 1.00 0.00 H ATOM 476 HD12 ILE A 36 21.649 16.404 51.186 1.00 0.00 H ATOM 477 HD13 ILE A 36 20.516 15.030 51.193 1.00 0.00 H ATOM 478 HG21 ILE A 36 21.331 19.865 52.354 1.00 0.00 H ATOM 479 HG22 ILE A 36 21.736 18.440 53.342 1.00 0.00 H ATOM 480 HG23 ILE A 36 21.916 18.376 51.571 1.00 0.00 H ATOM 481 H ILE A 36 17.334 17.906 52.442 1.00 0.00 H ATOM 482 N ASN A 37 18.466 21.080 52.694 1.00 52.88 N ATOM 483 CA ASN A 37 18.586 22.530 52.664 1.00 55.20 C ATOM 484 C ASN A 37 18.025 23.215 53.907 1.00 56.48 C ATOM 485 O ASN A 37 18.291 24.393 54.139 1.00 56.06 O ATOM 486 CB ASN A 37 17.915 23.086 51.407 1.00 55.92 C ATOM 487 CG ASN A 37 18.546 22.554 50.133 1.00 59.25 C ATOM 488 OD1 ASN A 37 19.770 22.449 50.031 1.00 57.72 O ATOM 489 ND2 ASN A 37 17.713 22.224 49.149 1.00 59.11 N ATOM 490 HA ASN A 37 19.653 22.751 52.648 1.00 0.00 H ATOM 491 HB2 ASN A 37 16.861 22.807 51.419 1.00 0.00 H ATOM 492 HB3 ASN A 37 18.002 24.172 51.414 1.00 0.00 H ATOM 493 HD22 ASN A 37 16.687 22.329 49.279 1.00 0.00 H ATOM 494 HD21 ASN A 37 18.088 21.861 48.250 1.00 0.00 H ATOM 495 H ASN A 37 17.773 20.612 52.075 1.00 0.00 H ATOM 496 N LYS A 38 17.260 22.473 54.704 1.00 57.86 N ATOM 497 CA LYS A 38 16.676 23.001 55.936 1.00 59.18 C ATOM 498 C LYS A 38 17.594 22.704 57.121 1.00 61.50 C ATOM 499 O LYS A 38 17.935 23.597 57.900 1.00 61.78 O ATOM 500 CB LYS A 38 15.306 22.361 56.194 1.00 58.85 C ATOM 501 CG LYS A 38 14.248 22.665 55.146 1.00 57.99 C ATOM 502 CD LYS A 38 13.962 24.152 55.066 1.00 58.40 C ATOM 503 CE LYS A 38 12.867 24.453 54.052 1.00 60.16 C ATOM 504 NZ LYS A 38 11.567 23.837 54.440 1.00 59.23 N ATOM 505 HA LYS A 38 16.557 24.079 55.824 1.00 0.00 H ATOM 506 HB2 LYS A 38 15.440 21.280 56.236 1.00 0.00 H ATOM 507 HB3 LYS A 38 14.941 22.719 57.157 1.00 0.00 H ATOM 508 HG2 LYS A 38 14.600 22.318 54.175 1.00 0.00 H ATOM 509 HG3 LYS A 38 13.329 22.140 55.406 1.00 0.00 H ATOM 510 HD2 LYS A 38 13.644 24.506 56.047 1.00 0.00 H ATOM 511 HD3 LYS A 38 14.873 24.673 54.770 1.00 0.00 H ATOM 512 HE2 LYS A 38 13.168 24.060 53.081 1.00 0.00 H ATOM 513 HE3 LYS A 38 12.739 25.533 53.982 1.00 0.00 H ATOM 514 HZ1 LYS A 38 11.679 22.805 54.503 1.00 0.00 H ATOM 515 HZ2 LYS A 38 11.269 24.212 55.363 1.00 0.00 H ATOM 516 HZ3 LYS A 38 10.849 24.066 53.723 1.00 0.00 H ATOM 517 H LYS A 38 17.071 21.484 54.442 1.00 0.00 H ATOM 518 N GLU A 39 17.991 21.438 57.240 1.00 63.07 N ATOM 519 CA GLU A 39 18.858 20.973 58.321 1.00 64.01 C ATOM 520 C GLU A 39 20.185 21.719 58.416 1.00 63.60 C ATOM 521 O GLU A 39 20.864 21.935 57.413 1.00 63.29 O ATOM 522 CB GLU A 39 19.136 19.477 58.157 1.00 65.59 C ATOM 523 CG GLU A 39 17.896 18.600 58.199 1.00 69.11 C ATOM 524 CD GLU A 39 17.168 18.685 59.523 1.00 71.26 C ATOM 525 OE1 GLU A 39 17.805 18.433 60.568 1.00 72.67 O ATOM 526 OE2 GLU A 39 15.958 19.000 59.522 1.00 73.33 O ATOM 527 HA GLU A 39 18.317 21.174 59.246 1.00 0.00 H ATOM 528 HB2 GLU A 39 19.629 19.325 57.197 1.00 0.00 H ATOM 529 HB3 GLU A 39 19.803 19.164 58.960 1.00 0.00 H ATOM 530 HG2 GLU A 39 17.218 18.916 57.406 1.00 0.00 H ATOM 531 HG3 GLU A 39 18.194 17.565 58.030 1.00 0.00 H ATOM 532 H GLU A 39 17.669 20.749 56.531 1.00 0.00 H ATOM 533 N LEU A 40 20.552 22.100 59.636 1.00 63.64 N ATOM 534 CA LEU A 40 21.800 22.812 59.876 1.00 62.72 C ATOM 535 C LEU A 40 22.972 21.878 59.593 1.00 61.73 C ATOM 536 O LEU A 40 24.085 22.325 59.303 1.00 60.05 O ATOM 537 CB LEU A 40 21.854 23.303 61.327 1.00 64.22 C ATOM 538 CG LEU A 40 23.101 24.071 61.781 1.00 65.83 C ATOM 539 CD1 LEU A 40 23.331 25.281 60.888 1.00 66.54 C ATOM 540 CD2 LEU A 40 22.926 24.507 63.233 1.00 66.41 C ATOM 541 HA LEU A 40 21.859 23.677 59.215 1.00 0.00 H ATOM 542 HB2 LEU A 40 20.996 23.958 61.480 1.00 0.00 H ATOM 543 HB3 LEU A 40 21.760 22.427 61.969 1.00 0.00 H ATOM 544 HG LEU A 40 23.972 23.420 61.704 1.00 0.00 H ATOM 545 HD21 LEU A 40 22.051 25.151 63.315 1.00 0.00 H ATOM 546 HD22 LEU A 40 22.791 23.627 63.862 1.00 0.00 H ATOM 547 HD23 LEU A 40 23.812 25.053 63.556 1.00 0.00 H ATOM 548 HD11 LEU A 40 23.471 24.950 59.859 1.00 0.00 H ATOM 549 HD12 LEU A 40 22.466 25.942 60.944 1.00 0.00 H ATOM 550 HD13 LEU A 40 24.220 25.815 61.224 1.00 0.00 H ATOM 551 H LEU A 40 19.931 21.884 60.441 1.00 0.00 H ATOM 552 N GLU A 41 22.710 20.577 59.684 1.00 60.38 N ATOM 553 CA GLU A 41 23.728 19.568 59.422 1.00 60.58 C ATOM 554 C GLU A 41 23.243 18.613 58.332 1.00 59.16 C ATOM 555 O GLU A 41 23.579 17.429 58.324 1.00 58.15 O ATOM 556 CB GLU A 41 24.049 18.783 60.696 1.00 62.20 C ATOM 557 CG GLU A 41 24.572 19.639 61.835 1.00 65.44 C ATOM 558 CD GLU A 41 25.145 18.810 62.970 1.00 68.42 C ATOM 559 OE1 GLU A 41 24.466 17.863 63.428 1.00 69.52 O ATOM 560 OE2 GLU A 41 26.275 19.109 63.409 1.00 69.77 O ATOM 561 HA GLU A 41 24.636 20.069 59.085 1.00 0.00 H ATOM 562 HB2 GLU A 41 23.139 18.286 61.031 1.00 0.00 H ATOM 563 HB3 GLU A 41 24.803 18.034 60.456 1.00 0.00 H ATOM 564 HG2 GLU A 41 25.354 20.293 61.450 1.00 0.00 H ATOM 565 HG3 GLU A 41 23.752 20.244 62.223 1.00 0.00 H ATOM 566 H GLU A 41 21.752 20.272 59.950 1.00 0.00 H ATOM 567 N GLY A 42 22.444 19.144 57.414 1.00 57.74 N ATOM 568 CA GLY A 42 21.924 18.335 56.328 1.00 56.39 C ATOM 569 C GLY A 42 23.024 17.746 55.466 1.00 53.45 C ATOM 570 O GLY A 42 23.025 16.543 55.205 1.00 52.81 O ATOM 571 HA3 GLY A 42 21.285 18.958 55.702 1.00 0.00 H ATOM 572 HA2 GLY A 42 21.335 17.520 56.749 1.00 0.00 H ATOM 573 H GLY A 42 22.188 20.150 57.474 1.00 0.00 H ATOM 574 N PRO A 43 23.975 18.571 55.000 1.00 52.47 N ATOM 575 CA PRO A 43 25.073 18.082 54.161 1.00 52.75 C ATOM 576 C PRO A 43 25.853 16.952 54.828 1.00 52.12 C ATOM 577 O PRO A 43 25.890 15.828 54.326 1.00 52.09 O ATOM 578 CB PRO A 43 25.927 19.331 53.954 1.00 51.98 C ATOM 579 CG PRO A 43 24.913 20.427 53.959 1.00 51.97 C ATOM 580 CD PRO A 43 24.026 20.039 55.121 1.00 52.72 C ATOM 581 HA PRO A 43 24.729 17.642 53.225 1.00 0.00 H ATOM 582 HD3 PRO A 43 24.465 20.342 56.072 1.00 0.00 H ATOM 583 HD2 PRO A 43 23.033 20.478 55.024 1.00 0.00 H ATOM 584 HG3 PRO A 43 24.352 20.451 53.025 1.00 0.00 H ATOM 585 HG2 PRO A 43 25.381 21.397 54.126 1.00 0.00 H ATOM 586 HB2 PRO A 43 26.645 19.456 54.765 1.00 0.00 H ATOM 587 HB3 PRO A 43 26.458 19.291 53.003 1.00 0.00 H ATOM 588 N GLN A 44 26.466 17.263 55.964 1.00 51.63 N ATOM 589 CA GLN A 44 27.258 16.295 56.713 1.00 51.17 C ATOM 590 C GLN A 44 26.527 14.970 56.885 1.00 50.15 C ATOM 591 O GLN A 44 27.072 13.905 56.610 1.00 50.63 O ATOM 592 CB GLN A 44 27.624 16.866 58.089 1.00 52.52 C ATOM 593 CG GLN A 44 28.441 18.159 58.041 1.00 55.75 C ATOM 594 CD GLN A 44 27.582 19.422 58.085 1.00 59.68 C ATOM 595 OE1 GLN A 44 26.636 19.579 57.309 1.00 60.63 O ATOM 596 NE2 GLN A 44 27.922 20.335 58.992 1.00 59.51 N ATOM 597 HA GLN A 44 28.165 16.103 56.140 1.00 0.00 H ATOM 598 HB2 GLN A 44 26.700 17.066 58.632 1.00 0.00 H ATOM 599 HB3 GLN A 44 28.204 16.116 58.626 1.00 0.00 H ATOM 600 HG2 GLN A 44 29.119 18.172 58.895 1.00 0.00 H ATOM 601 HG3 GLN A 44 29.021 18.167 57.118 1.00 0.00 H ATOM 602 HE22 GLN A 44 28.727 20.162 59.627 1.00 0.00 H ATOM 603 HE21 GLN A 44 27.382 21.221 59.065 1.00 0.00 H ATOM 604 H GLN A 44 26.378 18.232 56.333 1.00 0.00 H ATOM 605 N ILE A 45 25.282 15.048 57.332 1.00 49.20 N ATOM 606 CA ILE A 45 24.469 13.864 57.552 1.00 47.28 C ATOM 607 C ILE A 45 24.118 13.140 56.255 1.00 46.78 C ATOM 608 O ILE A 45 24.188 11.912 56.180 1.00 46.54 O ATOM 609 CB ILE A 45 23.158 14.239 58.288 1.00 46.95 C ATOM 610 CG1 ILE A 45 23.485 14.763 59.690 1.00 46.71 C ATOM 611 CG2 ILE A 45 22.237 13.029 58.378 1.00 46.60 C ATOM 612 CD1 ILE A 45 22.275 15.282 60.454 1.00 46.97 C ATOM 613 HA ILE A 45 25.068 13.188 58.162 1.00 0.00 H ATOM 614 HB ILE A 45 22.646 15.020 57.726 1.00 0.00 H ATOM 615 HG12 ILE A 45 23.931 13.951 60.264 1.00 0.00 H ATOM 616 HG13 ILE A 45 24.204 15.576 59.593 1.00 0.00 H ATOM 617 HD11 ILE A 45 21.822 16.104 59.900 1.00 0.00 H ATOM 618 HD12 ILE A 45 21.549 14.478 60.571 1.00 0.00 H ATOM 619 HD13 ILE A 45 22.591 15.634 61.436 1.00 0.00 H ATOM 620 HG21 ILE A 45 21.995 12.683 57.373 1.00 0.00 H ATOM 621 HG22 ILE A 45 22.739 12.232 58.927 1.00 0.00 H ATOM 622 HG23 ILE A 45 21.321 13.309 58.898 1.00 0.00 H ATOM 623 H ILE A 45 24.875 15.984 57.531 1.00 0.00 H ATOM 624 N ALA A 46 23.743 13.904 55.233 1.00 46.22 N ATOM 625 CA ALA A 46 23.350 13.324 53.951 1.00 43.71 C ATOM 626 C ALA A 46 24.439 12.509 53.261 1.00 40.76 C ATOM 627 O ALA A 46 24.169 11.417 52.779 1.00 39.80 O ATOM 628 CB ALA A 46 22.826 14.428 53.005 1.00 42.79 C ATOM 629 HA ALA A 46 22.557 12.613 54.181 1.00 0.00 H ATOM 630 HB1 ALA A 46 21.961 14.913 53.458 1.00 0.00 H ATOM 631 HB2 ALA A 46 23.612 15.165 52.838 1.00 0.00 H ATOM 632 HB3 ALA A 46 22.537 13.982 52.053 1.00 0.00 H ATOM 633 H ALA A 46 23.729 14.937 55.349 1.00 0.00 H ATOM 634 N VAL A 47 25.663 13.022 53.197 1.00 42.08 N ATOM 635 CA VAL A 47 26.719 12.259 52.540 1.00 46.02 C ATOM 636 C VAL A 47 26.930 10.920 53.247 1.00 47.82 C ATOM 637 O VAL A 47 27.087 9.885 52.590 1.00 47.40 O ATOM 638 CB VAL A 47 28.060 13.039 52.475 1.00 46.03 C ATOM 639 CG1 VAL A 47 27.925 14.212 51.518 1.00 47.07 C ATOM 640 CG2 VAL A 47 28.464 13.530 53.855 1.00 47.79 C ATOM 641 HA VAL A 47 26.392 12.083 51.515 1.00 0.00 H ATOM 642 HB VAL A 47 28.838 12.367 52.112 1.00 0.00 H ATOM 643 HG11 VAL A 47 27.673 13.841 50.524 1.00 0.00 H ATOM 644 HG12 VAL A 47 27.136 14.877 51.870 1.00 0.00 H ATOM 645 HG13 VAL A 47 28.869 14.756 51.476 1.00 0.00 H ATOM 646 HG21 VAL A 47 27.690 14.191 54.245 1.00 0.00 H ATOM 647 HG22 VAL A 47 28.585 12.676 54.522 1.00 0.00 H ATOM 648 HG23 VAL A 47 29.406 14.073 53.784 1.00 0.00 H ATOM 649 H VAL A 47 25.866 13.955 53.610 1.00 0.00 H ATOM 650 N ARG A 48 26.918 10.937 54.579 1.00 49.50 N ATOM 651 CA ARG A 48 27.092 9.707 55.351 1.00 51.86 C ATOM 652 C ARG A 48 26.008 8.711 54.967 1.00 49.27 C ATOM 653 O ARG A 48 26.294 7.560 54.661 1.00 49.62 O ATOM 654 CB ARG A 48 26.999 9.974 56.855 1.00 54.86 C ATOM 655 CG ARG A 48 28.195 10.678 57.474 1.00 60.78 C ATOM 656 CD ARG A 48 28.111 10.566 58.998 1.00 65.83 C ATOM 657 NE ARG A 48 29.181 11.274 59.696 1.00 69.84 N ATOM 658 CZ ARG A 48 29.353 11.244 61.015 1.00 72.33 C ATOM 659 NH1 ARG A 48 28.524 10.539 61.778 1.00 72.52 N ATOM 660 NH2 ARG A 48 30.347 11.922 61.576 1.00 72.91 N ATOM 661 HA ARG A 48 28.081 9.307 55.127 1.00 0.00 H ATOM 662 HB2 ARG A 48 26.118 10.591 57.032 1.00 0.00 H ATOM 663 HB3 ARG A 48 26.877 9.015 57.359 1.00 0.00 H ATOM 664 HG2 ARG A 48 29.115 10.210 57.124 1.00 0.00 H ATOM 665 HG3 ARG A 48 28.190 11.729 57.184 1.00 0.00 H ATOM 666 HD2 ARG A 48 28.161 9.512 59.270 1.00 0.00 H ATOM 667 HD3 ARG A 48 27.156 10.979 59.322 1.00 0.00 H ATOM 668 HE ARG A 48 29.848 11.835 59.128 1.00 0.00 H ATOM 669 HH12 ARG A 48 28.659 10.516 62.809 1.00 0.00 H ATOM 670 HH11 ARG A 48 27.740 10.010 61.344 1.00 0.00 H ATOM 671 HH22 ARG A 48 30.477 11.896 62.607 1.00 0.00 H ATOM 672 HH21 ARG A 48 30.995 12.480 60.984 1.00 0.00 H ATOM 673 H ARG A 48 26.783 11.839 55.078 1.00 0.00 H ATOM 674 N LEU A 49 24.760 9.168 54.993 1.00 47.83 N ATOM 675 CA LEU A 49 23.616 8.331 54.643 1.00 46.85 C ATOM 676 C LEU A 49 23.707 7.792 53.214 1.00 46.23 C ATOM 677 O LEU A 49 23.468 6.609 52.971 1.00 46.62 O ATOM 678 CB LEU A 49 22.317 9.129 54.794 1.00 47.65 C ATOM 679 CG LEU A 49 21.832 9.474 56.201 1.00 48.12 C ATOM 680 CD1 LEU A 49 20.632 10.392 56.109 1.00 47.75 C ATOM 681 CD2 LEU A 49 21.464 8.200 56.947 1.00 47.93 C ATOM 682 HA LEU A 49 23.622 7.481 55.325 1.00 0.00 H ATOM 683 HB2 LEU A 49 22.453 10.070 54.261 1.00 0.00 H ATOM 684 HB3 LEU A 49 21.527 8.552 54.314 1.00 0.00 H ATOM 685 HG LEU A 49 22.628 9.981 56.746 1.00 0.00 H ATOM 686 HD21 LEU A 49 20.670 7.682 56.409 1.00 0.00 H ATOM 687 HD22 LEU A 49 22.340 7.555 57.015 1.00 0.00 H ATOM 688 HD23 LEU A 49 21.119 8.454 57.949 1.00 0.00 H ATOM 689 HD11 LEU A 49 20.915 11.306 55.587 1.00 0.00 H ATOM 690 HD12 LEU A 49 19.834 9.891 55.561 1.00 0.00 H ATOM 691 HD13 LEU A 49 20.286 10.638 57.113 1.00 0.00 H ATOM 692 H LEU A 49 24.593 10.156 55.272 1.00 0.00 H ATOM 693 N LEU A 50 24.045 8.675 52.276 1.00 44.96 N ATOM 694 CA LEU A 50 24.160 8.320 50.868 1.00 43.57 C ATOM 695 C LEU A 50 25.275 7.315 50.615 1.00 42.71 C ATOM 696 O LEU A 50 25.100 6.351 49.864 1.00 40.76 O ATOM 697 CB LEU A 50 24.406 9.582 50.039 1.00 44.93 C ATOM 698 CG LEU A 50 23.222 10.546 49.907 1.00 43.21 C ATOM 699 CD1 LEU A 50 23.690 11.869 49.323 1.00 41.95 C ATOM 700 CD2 LEU A 50 22.150 9.902 49.030 1.00 43.82 C ATOM 701 HA LEU A 50 23.223 7.850 50.570 1.00 0.00 H ATOM 702 HB2 LEU A 50 25.230 10.127 50.500 1.00 0.00 H ATOM 703 HB3 LEU A 50 24.695 9.270 49.035 1.00 0.00 H ATOM 704 HG LEU A 50 22.796 10.749 50.889 1.00 0.00 H ATOM 705 HD21 LEU A 50 22.566 9.693 48.044 1.00 0.00 H ATOM 706 HD22 LEU A 50 21.817 8.971 49.490 1.00 0.00 H ATOM 707 HD23 LEU A 50 21.305 10.583 48.932 1.00 0.00 H ATOM 708 HD11 LEU A 50 24.440 12.310 49.980 1.00 0.00 H ATOM 709 HD12 LEU A 50 24.124 11.697 48.338 1.00 0.00 H ATOM 710 HD13 LEU A 50 22.840 12.546 49.234 1.00 0.00 H ATOM 711 H LEU A 50 24.234 9.657 52.560 1.00 0.00 H ATOM 712 N ALA A 51 26.424 7.553 51.235 1.00 41.08 N ATOM 713 CA ALA A 51 27.563 6.660 51.084 1.00 43.85 C ATOM 714 C ALA A 51 27.133 5.233 51.403 1.00 44.06 C ATOM 715 O ALA A 51 27.467 4.290 50.687 1.00 43.88 O ATOM 716 CB ALA A 51 28.695 7.092 52.020 1.00 41.01 C ATOM 717 HA ALA A 51 27.925 6.705 50.057 1.00 0.00 H ATOM 718 HB1 ALA A 51 29.001 8.109 51.773 1.00 0.00 H ATOM 719 HB2 ALA A 51 28.345 7.057 53.052 1.00 0.00 H ATOM 720 HB3 ALA A 51 29.542 6.417 51.899 1.00 0.00 H ATOM 721 H ALA A 51 26.512 8.394 51.840 1.00 0.00 H ATOM 722 N HIS A 52 26.375 5.085 52.483 1.00 45.71 N ATOM 723 CA HIS A 52 25.904 3.779 52.906 1.00 44.50 C ATOM 724 C HIS A 52 24.942 3.142 51.907 1.00 44.26 C ATOM 725 O HIS A 52 25.083 1.967 51.570 1.00 44.83 O ATOM 726 CB HIS A 52 25.229 3.889 54.277 1.00 45.56 C ATOM 727 CG HIS A 52 24.623 2.607 54.752 1.00 45.42 C ATOM 728 ND1 HIS A 52 25.369 1.468 54.968 1.00 46.31 N ATOM 729 CD2 HIS A 52 23.337 2.271 55.012 1.00 44.59 C ATOM 730 CE1 HIS A 52 24.567 0.485 55.335 1.00 45.47 C ATOM 731 NE2 HIS A 52 23.329 0.946 55.369 1.00 45.91 N ATOM 732 HA HIS A 52 26.778 3.130 52.966 1.00 0.00 H ATOM 733 HB2 HIS A 52 25.976 4.207 55.004 1.00 0.00 H ATOM 734 HB3 HIS A 52 24.441 4.640 54.214 1.00 0.00 H ATOM 735 HD2 HIS A 52 22.471 2.930 54.949 1.00 0.00 H ATOM 736 HE1 HIS A 52 24.874 -0.534 55.570 1.00 0.00 H ATOM 737 H HIS A 52 26.113 5.924 53.039 1.00 0.00 H ATOM 738 N LYS A 53 23.962 3.910 51.439 1.00 43.79 N ATOM 739 CA LYS A 53 22.979 3.389 50.486 1.00 43.42 C ATOM 740 C LYS A 53 23.647 2.973 49.182 1.00 44.68 C ATOM 741 O LYS A 53 23.317 1.931 48.599 1.00 43.26 O ATOM 742 CB LYS A 53 21.904 4.443 50.183 1.00 45.24 C ATOM 743 CG LYS A 53 21.052 4.850 51.369 1.00 43.82 C ATOM 744 CD LYS A 53 20.169 3.694 51.822 1.00 45.54 C ATOM 745 CE LYS A 53 19.397 4.052 53.084 1.00 45.76 C ATOM 746 NZ LYS A 53 18.545 2.915 53.554 1.00 47.81 N ATOM 747 HA LYS A 53 22.514 2.516 50.944 1.00 0.00 H ATOM 748 HB2 LYS A 53 22.402 5.335 49.803 1.00 0.00 H ATOM 749 HB3 LYS A 53 21.244 4.041 49.414 1.00 0.00 H ATOM 750 HG2 LYS A 53 21.702 5.147 52.192 1.00 0.00 H ATOM 751 HG3 LYS A 53 20.421 5.692 51.084 1.00 0.00 H ATOM 752 HD2 LYS A 53 19.462 3.454 51.028 1.00 0.00 H ATOM 753 HD3 LYS A 53 20.796 2.825 52.023 1.00 0.00 H ATOM 754 HE2 LYS A 53 18.758 4.910 52.876 1.00 0.00 H ATOM 755 HE3 LYS A 53 20.106 4.311 53.870 1.00 0.00 H ATOM 756 HZ1 LYS A 53 17.861 2.666 52.811 1.00 0.00 H ATOM 757 HZ2 LYS A 53 19.148 2.094 53.761 1.00 0.00 H ATOM 758 HZ3 LYS A 53 18.035 3.198 54.415 1.00 0.00 H ATOM 759 H LYS A 53 23.892 4.898 51.755 1.00 0.00 H ATOM 760 N ILE A 54 24.584 3.799 48.727 1.00 43.91 N ATOM 761 CA ILE A 54 25.296 3.533 47.491 1.00 44.77 C ATOM 762 C ILE A 54 26.079 2.230 47.583 1.00 46.50 C ATOM 763 O ILE A 54 26.289 1.558 46.574 1.00 46.20 O ATOM 764 CB ILE A 54 26.256 4.700 47.155 1.00 46.15 C ATOM 765 CG1 ILE A 54 25.439 5.960 46.851 1.00 44.83 C ATOM 766 CG2 ILE A 54 27.136 4.340 45.962 1.00 48.67 C ATOM 767 CD1 ILE A 54 26.240 7.233 46.889 1.00 43.44 C ATOM 768 HA ILE A 54 24.558 3.439 46.694 1.00 0.00 H ATOM 769 HB ILE A 54 26.903 4.888 48.012 1.00 0.00 H ATOM 770 HG12 ILE A 54 25.006 5.857 45.856 1.00 0.00 H ATOM 771 HG13 ILE A 54 24.639 6.036 47.587 1.00 0.00 H ATOM 772 HD11 ILE A 54 26.671 7.360 47.882 1.00 0.00 H ATOM 773 HD12 ILE A 54 27.039 7.180 46.149 1.00 0.00 H ATOM 774 HD13 ILE A 54 25.589 8.077 46.663 1.00 0.00 H ATOM 775 HG21 ILE A 54 27.724 3.454 46.200 1.00 0.00 H ATOM 776 HG22 ILE A 54 26.506 4.138 45.096 1.00 0.00 H ATOM 777 HG23 ILE A 54 27.804 5.172 45.741 1.00 0.00 H ATOM 778 H ILE A 54 24.812 4.656 49.270 1.00 0.00 H ATOM 779 N GLN A 55 26.498 1.873 48.795 1.00 46.79 N ATOM 780 CA GLN A 55 27.267 0.653 49.011 1.00 49.81 C ATOM 781 C GLN A 55 26.406 -0.567 49.328 1.00 51.32 C ATOM 782 O GLN A 55 26.925 -1.610 49.716 1.00 50.99 O ATOM 783 CB GLN A 55 28.281 0.866 50.137 1.00 50.21 C ATOM 784 CG GLN A 55 29.366 1.871 49.804 1.00 52.56 C ATOM 785 CD GLN A 55 30.205 2.246 51.008 1.00 54.44 C ATOM 786 OE1 GLN A 55 31.225 2.917 50.879 1.00 58.48 O ATOM 787 NE2 GLN A 55 29.775 1.821 52.187 1.00 55.36 N ATOM 788 HA GLN A 55 27.775 0.444 48.069 1.00 0.00 H ATOM 789 HB2 GLN A 55 27.746 1.218 51.019 1.00 0.00 H ATOM 790 HB3 GLN A 55 28.755 -0.090 50.358 1.00 0.00 H ATOM 791 HG2 GLN A 55 30.019 1.441 49.044 1.00 0.00 H ATOM 792 HG3 GLN A 55 28.897 2.773 49.411 1.00 0.00 H ATOM 793 HE22 GLN A 55 28.905 1.255 52.250 1.00 0.00 H ATOM 794 HE21 GLN A 55 30.307 2.054 53.049 1.00 0.00 H ATOM 795 H GLN A 55 26.271 2.480 49.609 1.00 0.00 H ATOM 796 N SER A 56 25.094 -0.441 49.157 1.00 53.21 N ATOM 797 CA SER A 56 24.186 -1.551 49.425 1.00 53.66 C ATOM 798 C SER A 56 24.297 -2.653 48.379 1.00 54.41 C ATOM 799 O SER A 56 24.403 -2.378 47.190 1.00 55.34 O ATOM 800 CB SER A 56 22.740 -1.063 49.469 1.00 53.63 C ATOM 801 OG SER A 56 21.839 -2.157 49.469 1.00 52.39 O ATOM 802 HA SER A 56 24.476 -1.962 50.392 1.00 0.00 H ATOM 803 HB2 SER A 56 22.546 -0.440 48.596 1.00 0.00 H ATOM 804 HB3 SER A 56 22.588 -0.475 50.374 1.00 0.00 H ATOM 805 HG SER A 56 20.909 -1.817 49.498 1.00 0.00 H ATOM 806 H SER A 56 24.707 0.466 48.826 1.00 0.00 H ATOM 807 N PRO A 57 24.268 -3.920 48.818 1.00 54.46 N ATOM 808 CA PRO A 57 24.361 -5.081 47.926 1.00 53.87 C ATOM 809 C PRO A 57 23.180 -5.155 46.954 1.00 53.23 C ATOM 810 O PRO A 57 23.225 -5.871 45.954 1.00 51.70 O ATOM 811 CB PRO A 57 24.379 -6.260 48.898 1.00 54.29 C ATOM 812 CG PRO A 57 25.029 -5.675 50.120 1.00 54.60 C ATOM 813 CD PRO A 57 24.342 -4.340 50.229 1.00 53.71 C ATOM 814 HA PRO A 57 25.237 -5.051 47.278 1.00 0.00 H ATOM 815 HD3 PRO A 57 23.348 -4.440 50.666 1.00 0.00 H ATOM 816 HD2 PRO A 57 24.929 -3.639 50.821 1.00 0.00 H ATOM 817 HG3 PRO A 57 26.104 -5.558 49.980 1.00 0.00 H ATOM 818 HG2 PRO A 57 24.843 -6.290 51.001 1.00 0.00 H ATOM 819 HB2 PRO A 57 23.368 -6.604 49.117 1.00 0.00 H ATOM 820 HB3 PRO A 57 24.965 -7.088 48.500 1.00 0.00 H ATOM 821 N GLN A 58 22.118 -4.424 47.269 1.00 52.69 N ATOM 822 CA GLN A 58 20.928 -4.390 46.425 1.00 53.75 C ATOM 823 C GLN A 58 21.115 -3.291 45.378 1.00 53.00 C ATOM 824 O GLN A 58 21.011 -2.107 45.687 1.00 52.74 O ATOM 825 CB GLN A 58 19.693 -4.124 47.294 1.00 55.50 C ATOM 826 CG GLN A 58 19.259 -5.339 48.118 1.00 57.86 C ATOM 827 CD GLN A 58 18.427 -4.982 49.342 1.00 58.59 C ATOM 828 OE1 GLN A 58 18.954 -4.507 50.353 1.00 59.99 O ATOM 829 NE2 GLN A 58 17.122 -5.209 49.254 1.00 58.44 N ATOM 830 HA GLN A 58 20.783 -5.344 45.919 1.00 0.00 H ATOM 831 HB2 GLN A 58 19.920 -3.306 47.977 1.00 0.00 H ATOM 832 HB3 GLN A 58 18.868 -3.834 46.643 1.00 0.00 H ATOM 833 HG2 GLN A 58 18.668 -5.995 47.479 1.00 0.00 H ATOM 834 HG3 GLN A 58 20.153 -5.867 48.451 1.00 0.00 H ATOM 835 HE22 GLN A 58 16.722 -5.611 48.382 1.00 0.00 H ATOM 836 HE21 GLN A 58 16.500 -4.985 50.057 1.00 0.00 H ATOM 837 H GLN A 58 22.134 -3.859 48.142 1.00 0.00 H ATOM 838 N GLU A 59 21.401 -3.697 44.143 1.00 53.31 N ATOM 839 CA GLU A 59 21.648 -2.761 43.048 1.00 54.43 C ATOM 840 C GLU A 59 20.652 -1.617 42.895 1.00 54.25 C ATOM 841 O GLU A 59 21.046 -0.461 42.727 1.00 52.69 O ATOM 842 CB GLU A 59 21.742 -3.505 41.713 1.00 52.91 C ATOM 843 CG GLU A 59 21.920 -2.555 40.537 1.00 53.89 C ATOM 844 CD GLU A 59 22.054 -3.258 39.203 1.00 54.46 C ATOM 845 OE1 GLU A 59 23.147 -3.790 38.914 1.00 54.69 O ATOM 846 OE2 GLU A 59 21.063 -3.278 38.442 1.00 55.80 O ATOM 847 HA GLU A 59 22.593 -2.294 43.325 1.00 0.00 H ATOM 848 HB2 GLU A 59 22.594 -4.184 41.748 1.00 0.00 H ATOM 849 HB3 GLU A 59 20.827 -4.079 41.566 1.00 0.00 H ATOM 850 HG2 GLU A 59 21.054 -1.895 40.493 1.00 0.00 H ATOM 851 HG3 GLU A 59 22.819 -1.962 40.706 1.00 0.00 H ATOM 852 H GLU A 59 21.451 -4.718 43.950 1.00 0.00 H ATOM 853 N TRP A 60 19.366 -1.941 42.941 1.00 54.23 N ATOM 854 CA TRP A 60 18.330 -0.931 42.789 1.00 54.48 C ATOM 855 C TRP A 60 18.416 0.126 43.889 1.00 53.43 C ATOM 856 O TRP A 60 18.112 1.297 43.651 1.00 54.34 O ATOM 857 CB TRP A 60 16.946 -1.586 42.804 1.00 55.45 C ATOM 858 CG TRP A 60 15.823 -0.676 42.385 1.00 57.78 C ATOM 859 CD1 TRP A 60 14.550 -0.670 42.879 1.00 57.72 C ATOM 860 CD2 TRP A 60 15.860 0.337 41.368 1.00 57.17 C ATOM 861 NE1 TRP A 60 13.795 0.280 42.236 1.00 58.20 N ATOM 862 CE2 TRP A 60 14.574 0.912 41.304 1.00 57.02 C ATOM 863 CE3 TRP A 60 16.857 0.814 40.503 1.00 58.11 C ATOM 864 CZ2 TRP A 60 14.255 1.942 40.412 1.00 57.32 C ATOM 865 CZ3 TRP A 60 16.539 1.838 39.616 1.00 56.04 C ATOM 866 CH2 TRP A 60 15.249 2.390 39.579 1.00 55.71 C ATOM 867 HA TRP A 60 18.486 -0.436 41.830 1.00 0.00 H ATOM 868 HB2 TRP A 60 16.965 -2.439 42.126 1.00 0.00 H ATOM 869 HB3 TRP A 60 16.744 -1.933 43.817 1.00 0.00 H ATOM 870 HE1 TRP A 60 12.794 0.486 42.426 1.00 0.00 H ATOM 871 HD1 TRP A 60 14.185 -1.325 43.670 1.00 0.00 H ATOM 872 HZ2 TRP A 60 13.254 2.372 40.380 1.00 0.00 H ATOM 873 HH2 TRP A 60 15.032 3.192 38.873 1.00 0.00 H ATOM 874 HZ3 TRP A 60 17.304 2.218 38.939 1.00 0.00 H ATOM 875 HE3 TRP A 60 17.861 0.391 40.526 1.00 0.00 H ATOM 876 H TRP A 60 19.094 -2.934 43.088 1.00 0.00 H ATOM 877 N GLU A 61 18.838 -0.277 45.085 1.00 51.82 N ATOM 878 CA GLU A 61 18.944 0.670 46.190 1.00 50.94 C ATOM 879 C GLU A 61 20.126 1.601 45.968 1.00 49.75 C ATOM 880 O GLU A 61 20.039 2.807 46.203 1.00 49.75 O ATOM 881 CB GLU A 61 19.113 -0.051 47.533 1.00 51.62 C ATOM 882 CG GLU A 61 18.934 0.887 48.733 1.00 53.68 C ATOM 883 CD GLU A 61 19.076 0.201 50.086 1.00 55.47 C ATOM 884 OE1 GLU A 61 19.642 -0.909 50.157 1.00 55.21 O ATOM 885 OE2 GLU A 61 18.624 0.786 51.093 1.00 55.78 O ATOM 886 HA GLU A 61 18.019 1.246 46.221 1.00 0.00 H ATOM 887 HB2 GLU A 61 18.371 -0.847 47.598 1.00 0.00 H ATOM 888 HB3 GLU A 61 20.113 -0.484 47.574 1.00 0.00 H ATOM 889 HG2 GLU A 61 19.685 1.674 48.668 1.00 0.00 H ATOM 890 HG3 GLU A 61 17.940 1.330 48.676 1.00 0.00 H ATOM 891 H GLU A 61 19.094 -1.274 45.233 1.00 0.00 H ATOM 892 N ALA A 62 21.235 1.033 45.514 1.00 47.57 N ATOM 893 CA ALA A 62 22.432 1.818 45.260 1.00 46.04 C ATOM 894 C ALA A 62 22.214 2.746 44.061 1.00 45.65 C ATOM 895 O ALA A 62 22.662 3.894 44.068 1.00 44.77 O ATOM 896 CB ALA A 62 23.611 0.896 45.007 1.00 44.14 C ATOM 897 HA ALA A 62 22.646 2.430 46.136 1.00 0.00 H ATOM 898 HB1 ALA A 62 23.772 0.266 45.882 1.00 0.00 H ATOM 899 HB2 ALA A 62 23.401 0.269 44.140 1.00 0.00 H ATOM 900 HB3 ALA A 62 24.503 1.493 44.818 1.00 0.00 H ATOM 901 H ALA A 62 21.249 0.008 45.337 1.00 0.00 H ATOM 902 N LEU A 63 21.528 2.240 43.039 1.00 45.22 N ATOM 903 CA LEU A 63 21.248 3.016 41.834 1.00 46.51 C ATOM 904 C LEU A 63 20.422 4.247 42.170 1.00 45.98 C ATOM 905 O LEU A 63 20.769 5.363 41.778 1.00 45.28 O ATOM 906 CB LEU A 63 20.506 2.155 40.812 1.00 47.84 C ATOM 907 CG LEU A 63 21.335 1.615 39.645 1.00 49.62 C ATOM 908 CD1 LEU A 63 22.700 1.183 40.128 1.00 52.39 C ATOM 909 CD2 LEU A 63 20.602 0.459 38.991 1.00 49.16 C ATOM 910 HA LEU A 63 22.197 3.339 41.406 1.00 0.00 H ATOM 911 HB2 LEU A 63 20.084 1.301 41.342 1.00 0.00 H ATOM 912 HB3 LEU A 63 19.699 2.757 40.395 1.00 0.00 H ATOM 913 HG LEU A 63 21.473 2.404 38.906 1.00 0.00 H ATOM 914 HD21 LEU A 63 20.448 -0.333 39.724 1.00 0.00 H ATOM 915 HD22 LEU A 63 19.637 0.805 38.621 1.00 0.00 H ATOM 916 HD23 LEU A 63 21.196 0.077 38.160 1.00 0.00 H ATOM 917 HD11 LEU A 63 23.216 2.037 40.567 1.00 0.00 H ATOM 918 HD12 LEU A 63 22.588 0.400 40.878 1.00 0.00 H ATOM 919 HD13 LEU A 63 23.278 0.801 39.286 1.00 0.00 H ATOM 920 H LEU A 63 21.181 1.262 43.100 1.00 0.00 H ATOM 921 N GLN A 64 19.330 4.039 42.900 1.00 45.08 N ATOM 922 CA GLN A 64 18.477 5.145 43.299 1.00 44.37 C ATOM 923 C GLN A 64 19.267 6.116 44.164 1.00 43.17 C ATOM 924 O GLN A 64 19.127 7.331 44.026 1.00 44.26 O ATOM 925 CB GLN A 64 17.263 4.630 44.065 1.00 45.38 C ATOM 926 CG GLN A 64 16.246 3.923 43.186 1.00 47.33 C ATOM 927 CD GLN A 64 15.112 3.333 43.991 1.00 49.03 C ATOM 928 OE1 GLN A 64 15.292 2.343 44.703 1.00 51.94 O ATOM 929 NE2 GLN A 64 13.940 3.944 43.899 1.00 48.49 N ATOM 930 HA GLN A 64 18.129 5.662 42.405 1.00 0.00 H ATOM 931 HB2 GLN A 64 17.607 3.930 44.826 1.00 0.00 H ATOM 932 HB3 GLN A 64 16.774 5.477 44.546 1.00 0.00 H ATOM 933 HG2 GLN A 64 15.837 4.640 42.475 1.00 0.00 H ATOM 934 HG3 GLN A 64 16.747 3.121 42.644 1.00 0.00 H ATOM 935 HE22 GLN A 64 13.835 4.777 43.285 1.00 0.00 H ATOM 936 HE21 GLN A 64 13.126 3.591 44.441 1.00 0.00 H ATOM 937 H GLN A 64 19.083 3.071 43.189 1.00 0.00 H ATOM 938 N ALA A 65 20.106 5.584 45.047 1.00 41.31 N ATOM 939 CA ALA A 65 20.916 6.434 45.915 1.00 38.88 C ATOM 940 C ALA A 65 21.842 7.338 45.097 1.00 37.57 C ATOM 941 O ALA A 65 22.083 8.486 45.470 1.00 34.11 O ATOM 942 CB ALA A 65 21.734 5.585 46.866 1.00 38.07 C ATOM 943 HA ALA A 65 20.239 7.067 46.489 1.00 0.00 H ATOM 944 HB1 ALA A 65 21.065 4.982 47.480 1.00 0.00 H ATOM 945 HB2 ALA A 65 22.391 4.931 46.293 1.00 0.00 H ATOM 946 HB3 ALA A 65 22.332 6.233 47.506 1.00 0.00 H ATOM 947 H ALA A 65 20.187 4.550 45.121 1.00 0.00 H ATOM 948 N LEU A 66 22.366 6.808 43.994 1.00 36.61 N ATOM 949 CA LEU A 66 23.266 7.571 43.132 1.00 37.62 C ATOM 950 C LEU A 66 22.495 8.694 42.438 1.00 38.85 C ATOM 951 O LEU A 66 23.000 9.805 42.286 1.00 39.50 O ATOM 952 CB LEU A 66 23.915 6.653 42.097 1.00 36.30 C ATOM 953 CG LEU A 66 25.013 5.725 42.625 1.00 36.61 C ATOM 954 CD1 LEU A 66 25.384 4.706 41.558 1.00 35.31 C ATOM 955 CD2 LEU A 66 26.232 6.546 43.042 1.00 35.85 C ATOM 956 HA LEU A 66 24.053 8.010 43.745 1.00 0.00 H ATOM 957 HB2 LEU A 66 23.132 6.032 41.663 1.00 0.00 H ATOM 958 HB3 LEU A 66 24.352 7.280 41.320 1.00 0.00 H ATOM 959 HG LEU A 66 24.645 5.189 43.500 1.00 0.00 H ATOM 960 HD21 LEU A 66 26.610 7.097 42.180 1.00 0.00 H ATOM 961 HD22 LEU A 66 25.945 7.247 43.826 1.00 0.00 H ATOM 962 HD23 LEU A 66 27.008 5.878 43.416 1.00 0.00 H ATOM 963 HD11 LEU A 66 24.505 4.115 41.300 1.00 0.00 H ATOM 964 HD12 LEU A 66 25.746 5.226 40.671 1.00 0.00 H ATOM 965 HD13 LEU A 66 26.165 4.049 41.941 1.00 0.00 H ATOM 966 H LEU A 66 22.129 5.828 43.740 1.00 0.00 H ATOM 967 N THR A 67 21.270 8.389 42.023 1.00 39.86 N ATOM 968 CA THR A 67 20.405 9.368 41.378 1.00 42.22 C ATOM 969 C THR A 67 20.076 10.457 42.396 1.00 42.66 C ATOM 970 O THR A 67 20.038 11.637 42.060 1.00 43.01 O ATOM 971 CB THR A 67 19.096 8.712 40.883 1.00 41.86 C ATOM 972 OG1 THR A 67 19.402 7.785 39.832 1.00 41.40 O ATOM 973 CG2 THR A 67 18.126 9.764 40.361 1.00 41.69 C ATOM 974 HA THR A 67 20.919 9.788 40.513 1.00 0.00 H ATOM 975 HB THR A 67 18.627 8.193 41.719 1.00 0.00 H ATOM 976 HG1 THR A 67 20.014 7.088 40.177 1.00 0.00 H ATOM 977 HG23 THR A 67 17.893 10.469 41.159 1.00 0.00 H ATOM 978 HG21 THR A 67 18.583 10.296 39.527 1.00 0.00 H ATOM 979 HG22 THR A 67 17.210 9.277 40.025 1.00 0.00 H ATOM 980 H THR A 67 20.918 7.421 42.163 1.00 0.00 H ATOM 981 N VAL A 68 19.850 10.057 43.644 1.00 42.62 N ATOM 982 CA VAL A 68 19.552 11.022 44.698 1.00 41.47 C ATOM 983 C VAL A 68 20.766 11.918 44.926 1.00 41.61 C ATOM 984 O VAL A 68 20.631 13.124 45.140 1.00 42.29 O ATOM 985 CB VAL A 68 19.198 10.328 46.037 1.00 39.34 C ATOM 986 CG1 VAL A 68 19.054 11.369 47.130 1.00 36.61 C ATOM 987 CG2 VAL A 68 17.905 9.542 45.897 1.00 38.41 C ATOM 988 HA VAL A 68 18.691 11.605 44.372 1.00 0.00 H ATOM 989 HB VAL A 68 20.000 9.638 46.300 1.00 0.00 H ATOM 990 HG11 VAL A 68 19.994 11.910 47.240 1.00 0.00 H ATOM 991 HG12 VAL A 68 18.260 12.067 46.863 1.00 0.00 H ATOM 992 HG13 VAL A 68 18.805 10.876 48.069 1.00 0.00 H ATOM 993 HG21 VAL A 68 17.097 10.220 45.622 1.00 0.00 H ATOM 994 HG22 VAL A 68 18.024 8.784 45.123 1.00 0.00 H ATOM 995 HG23 VAL A 68 17.670 9.060 46.846 1.00 0.00 H ATOM 996 H VAL A 68 19.886 9.043 43.872 1.00 0.00 H ATOM 997 N LEU A 69 21.951 11.313 44.895 1.00 40.45 N ATOM 998 CA LEU A 69 23.196 12.049 45.087 1.00 39.66 C ATOM 999 C LEU A 69 23.353 13.079 43.963 1.00 38.69 C ATOM 1000 O LEU A 69 23.808 14.201 44.189 1.00 36.47 O ATOM 1001 CB LEU A 69 24.384 11.076 45.082 1.00 38.10 C ATOM 1002 CG LEU A 69 25.794 11.653 44.922 1.00 35.43 C ATOM 1003 CD1 LEU A 69 26.138 12.578 46.071 1.00 37.68 C ATOM 1004 CD2 LEU A 69 26.789 10.512 44.842 1.00 34.49 C ATOM 1005 HA LEU A 69 23.171 12.564 46.047 1.00 0.00 H ATOM 1006 HB2 LEU A 69 24.362 10.534 46.028 1.00 0.00 H ATOM 1007 HB3 LEU A 69 24.226 10.377 44.261 1.00 0.00 H ATOM 1008 HG LEU A 69 25.836 12.240 44.005 1.00 0.00 H ATOM 1009 HD21 LEU A 69 26.735 9.920 45.756 1.00 0.00 H ATOM 1010 HD22 LEU A 69 26.550 9.882 43.985 1.00 0.00 H ATOM 1011 HD23 LEU A 69 27.795 10.916 44.728 1.00 0.00 H ATOM 1012 HD11 LEU A 69 25.425 13.402 46.099 1.00 0.00 H ATOM 1013 HD12 LEU A 69 26.092 12.024 47.008 1.00 0.00 H ATOM 1014 HD13 LEU A 69 27.144 12.972 45.930 1.00 0.00 H ATOM 1015 H LEU A 69 21.991 10.287 44.729 1.00 0.00 H ATOM 1016 N GLU A 70 22.966 12.677 42.756 1.00 37.85 N ATOM 1017 CA GLU A 70 23.047 13.535 41.579 1.00 39.91 C ATOM 1018 C GLU A 70 22.131 14.743 41.740 1.00 38.77 C ATOM 1019 O GLU A 70 22.491 15.861 41.384 1.00 37.74 O ATOM 1020 CB GLU A 70 22.645 12.749 40.326 1.00 40.07 C ATOM 1021 CG GLU A 70 23.082 13.388 39.017 1.00 44.24 C ATOM 1022 CD GLU A 70 22.804 12.509 37.812 1.00 46.49 C ATOM 1023 OE1 GLU A 70 23.067 11.294 37.885 1.00 50.03 O ATOM 1024 OE2 GLU A 70 22.335 13.032 36.780 1.00 53.03 O ATOM 1025 HA GLU A 70 24.075 13.880 41.473 1.00 0.00 H ATOM 1026 HB2 GLU A 70 23.092 11.757 40.387 1.00 0.00 H ATOM 1027 HB3 GLU A 70 21.559 12.657 40.315 1.00 0.00 H ATOM 1028 HG2 GLU A 70 22.547 14.329 38.893 1.00 0.00 H ATOM 1029 HG3 GLU A 70 24.153 13.584 39.065 1.00 0.00 H ATOM 1030 H GLU A 70 22.591 11.713 42.647 1.00 0.00 H ATOM 1031 N ALA A 71 20.939 14.508 42.275 1.00 39.22 N ATOM 1032 CA ALA A 71 19.986 15.583 42.484 1.00 39.62 C ATOM 1033 C ALA A 71 20.488 16.553 43.559 1.00 39.99 C ATOM 1034 O ALA A 71 20.332 17.764 43.429 1.00 40.78 O ATOM 1035 CB ALA A 71 18.632 15.013 42.867 1.00 37.81 C ATOM 1036 HA ALA A 71 19.880 16.139 41.552 1.00 0.00 H ATOM 1037 HB1 ALA A 71 18.272 14.366 42.067 1.00 0.00 H ATOM 1038 HB2 ALA A 71 18.729 14.436 43.787 1.00 0.00 H ATOM 1039 HB3 ALA A 71 17.926 15.829 43.021 1.00 0.00 H ATOM 1040 H ALA A 71 20.684 13.538 42.549 1.00 0.00 H ATOM 1041 N CYS A 72 21.108 16.031 44.613 1.00 40.37 N ATOM 1042 CA CYS A 72 21.619 16.899 45.676 1.00 39.51 C ATOM 1043 C CYS A 72 22.712 17.806 45.150 1.00 38.40 C ATOM 1044 O CYS A 72 22.849 18.941 45.597 1.00 37.96 O ATOM 1045 CB CYS A 72 22.178 16.079 46.843 1.00 39.82 C ATOM 1046 SG CYS A 72 20.976 14.992 47.606 1.00 41.28 S ATOM 1047 HA CYS A 72 20.781 17.500 46.030 1.00 0.00 H ATOM 1048 HB2 CYS A 72 22.548 16.769 47.602 1.00 0.00 H ATOM 1049 HB3 CYS A 72 23.004 15.472 46.472 1.00 0.00 H ATOM 1050 HG CYS A 72 20.504 14.098 46.666 1.00 0.00 H ATOM 1051 H CYS A 72 21.231 15.001 44.683 1.00 0.00 H HETATM 1052 N MSE A 73 23.501 17.301 44.208 1.00 37.59 N HETATM 1053 CA MSE A 73 24.579 18.099 43.639 1.00 38.42 C HETATM 1054 C MSE A 73 23.995 19.333 42.947 1.00 39.50 C HETATM 1055 O MSE A 73 24.596 20.402 42.954 1.00 39.54 O HETATM 1056 CB MSE A 73 25.396 17.277 42.628 1.00 38.28 C HETATM 1057 CG MSE A 73 26.254 16.149 43.236 1.00 38.41 C HETATM 1058 SE MSE A 73 27.463 16.709 44.645 1.00 39.16 S HETATM 1059 CE MSE A 73 28.876 17.466 43.604 1.00 39.04 C HETATM 1060 HE3 MSE A 73 29.657 17.837 44.268 1.00 0.00 H HETATM 1061 HE2 MSE A 73 28.484 18.289 43.006 1.00 0.00 H HETATM 1062 HE1 MSE A 73 29.290 16.702 42.946 1.00 0.00 H HETATM 1063 HG2 MSE A 73 25.581 15.396 43.646 1.00 0.00 H HETATM 1064 HG1 MSE A 73 26.848 15.707 42.436 1.00 0.00 H HETATM 1065 HB2 MSE A 73 26.062 17.959 42.099 1.00 0.00 H HETATM 1066 HB1 MSE A 73 24.701 16.827 41.919 1.00 0.00 H HETATM 1067 HA MSE A 73 25.242 18.409 44.447 1.00 0.00 H HETATM 1068 H MSE A 73 23.348 16.328 43.874 1.00 0.00 H ATOM 1069 N LYS A 74 22.817 19.191 42.355 1.00 39.44 N ATOM 1070 CA LYS A 74 22.213 20.328 41.678 1.00 42.22 C ATOM 1071 C LYS A 74 21.267 21.151 42.536 1.00 42.25 C ATOM 1072 O LYS A 74 21.020 22.309 42.228 1.00 43.26 O ATOM 1073 CB LYS A 74 21.487 19.873 40.412 1.00 42.57 C ATOM 1074 CG LYS A 74 22.427 19.638 39.239 1.00 44.16 C ATOM 1075 CD LYS A 74 21.661 19.343 37.975 1.00 49.30 C ATOM 1076 CE LYS A 74 22.593 19.197 36.780 1.00 49.05 C ATOM 1077 NZ LYS A 74 21.814 18.823 35.564 1.00 49.87 N ATOM 1078 HA LYS A 74 23.047 20.985 41.431 1.00 0.00 H ATOM 1079 HB2 LYS A 74 20.961 18.943 40.628 1.00 0.00 H ATOM 1080 HB3 LYS A 74 20.765 20.640 40.131 1.00 0.00 H ATOM 1081 HG2 LYS A 74 23.035 20.530 39.086 1.00 0.00 H ATOM 1082 HG3 LYS A 74 23.076 18.792 39.467 1.00 0.00 H ATOM 1083 HD2 LYS A 74 21.104 18.415 38.106 1.00 0.00 H ATOM 1084 HD3 LYS A 74 20.964 20.159 37.784 1.00 0.00 H ATOM 1085 HE2 LYS A 74 23.329 18.421 36.989 1.00 0.00 H ATOM 1086 HE3 LYS A 74 23.104 20.143 36.604 1.00 0.00 H ATOM 1087 HZ1 LYS A 74 21.327 17.919 35.730 1.00 0.00 H ATOM 1088 HZ2 LYS A 74 21.113 19.564 35.362 1.00 0.00 H ATOM 1089 HZ3 LYS A 74 22.461 18.726 34.755 1.00 0.00 H ATOM 1090 H LYS A 74 22.328 18.273 42.375 1.00 0.00 H ATOM 1091 N ASN A 75 20.765 20.567 43.623 1.00 42.01 N ATOM 1092 CA ASN A 75 19.818 21.258 44.493 1.00 42.47 C ATOM 1093 C ASN A 75 20.298 21.712 45.870 1.00 43.09 C ATOM 1094 O ASN A 75 19.605 22.482 46.531 1.00 44.22 O ATOM 1095 CB ASN A 75 18.580 20.381 44.693 1.00 43.62 C ATOM 1096 CG ASN A 75 17.741 20.260 43.439 1.00 45.71 C ATOM 1097 OD1 ASN A 75 17.143 21.234 42.988 1.00 49.57 O ATOM 1098 ND2 ASN A 75 17.693 19.064 42.868 1.00 45.57 N ATOM 1099 HA ASN A 75 19.627 22.185 43.953 1.00 0.00 H ATOM 1100 HB2 ASN A 75 18.903 19.385 44.994 1.00 0.00 H ATOM 1101 HB3 ASN A 75 17.967 20.817 45.482 1.00 0.00 H ATOM 1102 HD22 ASN A 75 18.216 18.267 43.285 1.00 0.00 H ATOM 1103 HD21 ASN A 75 17.133 18.923 42.003 1.00 0.00 H ATOM 1104 H ASN A 75 21.055 19.596 43.857 1.00 0.00 H ATOM 1105 N CYS A 76 21.468 21.267 46.313 1.00 41.26 N ATOM 1106 CA CYS A 76 21.915 21.637 47.652 1.00 39.97 C ATOM 1107 C CYS A 76 23.126 22.558 47.736 1.00 41.28 C ATOM 1108 O CYS A 76 23.775 22.667 48.781 1.00 41.43 O ATOM 1109 CB CYS A 76 22.133 20.366 48.467 1.00 36.76 C ATOM 1110 SG CYS A 76 20.707 19.252 48.365 1.00 39.79 S ATOM 1111 HA CYS A 76 21.114 22.249 48.068 1.00 0.00 H ATOM 1112 HB2 CYS A 76 22.295 20.638 49.510 1.00 0.00 H ATOM 1113 HB3 CYS A 76 23.014 19.849 48.087 1.00 0.00 H ATOM 1114 HG CYS A 76 19.587 19.895 48.852 1.00 0.00 H ATOM 1115 H CYS A 76 22.061 20.660 45.711 1.00 0.00 H ATOM 1116 N GLY A 77 23.405 23.231 46.625 1.00 41.28 N ATOM 1117 CA GLY A 77 24.493 24.190 46.554 1.00 42.07 C ATOM 1118 C GLY A 77 25.860 23.831 47.092 1.00 44.59 C ATOM 1119 O GLY A 77 26.190 22.663 47.330 1.00 42.68 O ATOM 1120 HA3 GLY A 77 24.165 25.077 47.096 1.00 0.00 H ATOM 1121 HA2 GLY A 77 24.625 24.437 45.501 1.00 0.00 H ATOM 1122 H GLY A 77 22.825 23.065 45.778 1.00 0.00 H ATOM 1123 N ARG A 78 26.655 24.878 47.291 1.00 46.19 N ATOM 1124 CA ARG A 78 28.022 24.747 47.769 1.00 47.78 C ATOM 1125 C ARG A 78 28.190 24.049 49.110 1.00 46.25 C ATOM 1126 O ARG A 78 29.165 23.333 49.307 1.00 47.46 O ATOM 1127 CB ARG A 78 28.689 26.123 47.825 1.00 51.07 C ATOM 1128 CG ARG A 78 28.042 27.097 48.792 1.00 57.30 C ATOM 1129 CD ARG A 78 27.258 28.175 48.060 1.00 61.18 C ATOM 1130 NE ARG A 78 25.961 27.720 47.561 1.00 61.54 N ATOM 1131 CZ ARG A 78 25.308 28.328 46.583 1.00 60.73 C ATOM 1132 NH1 ARG A 78 25.845 29.394 46.012 1.00 61.85 N ATOM 1133 NH2 ARG A 78 24.120 27.892 46.187 1.00 62.51 N ATOM 1134 HA ARG A 78 28.507 24.094 47.043 1.00 0.00 H ATOM 1135 HB2 ARG A 78 29.728 25.986 48.124 1.00 0.00 H ATOM 1136 HB3 ARG A 78 28.654 26.560 46.827 1.00 0.00 H ATOM 1137 HG2 ARG A 78 27.364 26.549 49.446 1.00 0.00 H ATOM 1138 HG3 ARG A 78 28.820 27.570 49.391 1.00 0.00 H ATOM 1139 HD2 ARG A 78 27.852 28.518 47.213 1.00 0.00 H ATOM 1140 HD3 ARG A 78 27.091 29.006 48.746 1.00 0.00 H ATOM 1141 HE ARG A 78 25.531 26.878 47.995 1.00 0.00 H ATOM 1142 HH12 ARG A 78 25.342 29.881 45.243 1.00 0.00 H ATOM 1143 HH11 ARG A 78 26.770 29.745 46.333 1.00 0.00 H ATOM 1144 HH22 ARG A 78 23.617 28.379 45.417 1.00 0.00 H ATOM 1145 HH21 ARG A 78 23.691 27.063 46.646 1.00 0.00 H ATOM 1146 H ARG A 78 26.284 25.830 47.097 1.00 0.00 H ATOM 1147 N ARG A 79 27.259 24.248 50.036 1.00 46.00 N ATOM 1148 CA ARG A 79 27.386 23.601 51.335 1.00 45.34 C ATOM 1149 C ARG A 79 27.375 22.081 51.176 1.00 43.68 C ATOM 1150 O ARG A 79 27.976 21.364 51.978 1.00 45.12 O ATOM 1151 CB ARG A 79 26.280 24.065 52.293 1.00 44.06 C ATOM 1152 CG ARG A 79 24.865 23.693 51.902 1.00 46.61 C ATOM 1153 CD ARG A 79 23.856 24.525 52.696 1.00 48.52 C ATOM 1154 NE ARG A 79 23.883 24.275 54.141 1.00 45.80 N ATOM 1155 CZ ARG A 79 23.153 23.352 54.760 1.00 47.51 C ATOM 1156 NH1 ARG A 79 22.328 22.575 54.068 1.00 46.69 N ATOM 1157 NH2 ARG A 79 23.231 23.216 56.080 1.00 48.97 N ATOM 1158 HA ARG A 79 28.342 23.892 51.771 1.00 0.00 H ATOM 1159 HB2 ARG A 79 26.481 23.629 53.272 1.00 0.00 H ATOM 1160 HB3 ARG A 79 26.333 25.152 52.363 1.00 0.00 H ATOM 1161 HG2 ARG A 79 24.726 23.879 50.837 1.00 0.00 H ATOM 1162 HG3 ARG A 79 24.701 22.635 52.109 1.00 0.00 H ATOM 1163 HD2 ARG A 79 22.856 24.296 52.327 1.00 0.00 H ATOM 1164 HD3 ARG A 79 24.072 25.580 52.526 1.00 0.00 H ATOM 1165 HE ARG A 79 24.517 24.860 54.722 1.00 0.00 H ATOM 1166 HH12 ARG A 79 21.759 21.855 54.557 1.00 0.00 H ATOM 1167 HH11 ARG A 79 22.251 22.687 53.037 1.00 0.00 H ATOM 1168 HH22 ARG A 79 22.660 22.494 56.563 1.00 0.00 H ATOM 1169 HH21 ARG A 79 23.864 23.832 56.630 1.00 0.00 H ATOM 1170 H ARG A 79 26.444 24.862 49.835 1.00 0.00 H ATOM 1171 N PHE A 80 26.713 21.584 50.136 1.00 42.73 N ATOM 1172 CA PHE A 80 26.685 20.143 49.908 1.00 41.97 C ATOM 1173 C PHE A 80 27.952 19.739 49.165 1.00 43.19 C ATOM 1174 O PHE A 80 28.591 18.742 49.503 1.00 43.82 O ATOM 1175 CB PHE A 80 25.462 19.733 49.091 1.00 39.34 C ATOM 1176 CG PHE A 80 25.311 18.243 48.943 1.00 38.37 C ATOM 1177 CD1 PHE A 80 24.844 17.468 50.001 1.00 36.57 C ATOM 1178 CD2 PHE A 80 25.659 17.609 47.753 1.00 36.78 C ATOM 1179 CE1 PHE A 80 24.725 16.090 49.878 1.00 35.23 C ATOM 1180 CE2 PHE A 80 25.544 16.227 47.620 1.00 35.68 C ATOM 1181 CZ PHE A 80 25.076 15.465 48.682 1.00 33.77 C ATOM 1182 HA PHE A 80 26.629 19.638 50.872 1.00 0.00 H ATOM 1183 HB2 PHE A 80 24.571 20.123 49.583 1.00 0.00 H ATOM 1184 HB3 PHE A 80 25.548 20.172 48.097 1.00 0.00 H ATOM 1185 HD2 PHE A 80 26.026 18.202 46.915 1.00 0.00 H ATOM 1186 HE2 PHE A 80 25.821 15.744 46.683 1.00 0.00 H ATOM 1187 HZ PHE A 80 24.983 14.384 48.581 1.00 0.00 H ATOM 1188 HE1 PHE A 80 24.357 15.497 50.716 1.00 0.00 H ATOM 1189 HD1 PHE A 80 24.568 17.950 50.939 1.00 0.00 H ATOM 1190 H PHE A 80 26.214 22.223 49.484 1.00 0.00 H ATOM 1191 N HIS A 81 28.320 20.526 48.157 1.00 43.37 N ATOM 1192 CA HIS A 81 29.520 20.245 47.381 1.00 44.32 C ATOM 1193 C HIS A 81 30.741 20.065 48.284 1.00 45.50 C ATOM 1194 O HIS A 81 31.525 19.133 48.099 1.00 45.24 O ATOM 1195 CB HIS A 81 29.796 21.378 46.385 1.00 43.68 C ATOM 1196 CG HIS A 81 28.688 21.607 45.406 1.00 43.13 C ATOM 1197 ND1 HIS A 81 27.709 20.669 45.155 1.00 45.52 N ATOM 1198 CD2 HIS A 81 28.413 22.660 44.601 1.00 42.70 C ATOM 1199 CE1 HIS A 81 26.878 21.135 44.241 1.00 42.21 C ATOM 1200 NE2 HIS A 81 27.283 22.341 43.888 1.00 41.87 N ATOM 1201 HA HIS A 81 29.344 19.315 46.840 1.00 0.00 H ATOM 1202 HB2 HIS A 81 29.954 22.299 46.947 1.00 0.00 H ATOM 1203 HB3 HIS A 81 30.701 21.134 45.829 1.00 0.00 H ATOM 1204 HD2 HIS A 81 28.982 23.587 44.532 1.00 0.00 H ATOM 1205 HE1 HIS A 81 26.007 20.613 43.845 1.00 0.00 H ATOM 1206 H HIS A 81 27.741 21.356 47.919 1.00 0.00 H ATOM 1207 N ASN A 82 30.903 20.961 49.255 1.00 47.05 N ATOM 1208 CA ASN A 82 32.039 20.899 50.170 1.00 48.05 C ATOM 1209 C ASN A 82 32.150 19.543 50.857 1.00 47.28 C ATOM 1210 O ASN A 82 33.249 19.010 51.006 1.00 46.96 O ATOM 1211 CB ASN A 82 31.945 22.001 51.234 1.00 53.18 C ATOM 1212 CG ASN A 82 32.131 23.395 50.654 1.00 56.86 C ATOM 1213 OD1 ASN A 82 33.065 23.647 49.887 1.00 58.70 O ATOM 1214 ND2 ASN A 82 31.245 24.312 51.031 1.00 60.67 N ATOM 1215 HA ASN A 82 32.934 21.050 49.566 1.00 0.00 H ATOM 1216 HB2 ASN A 82 30.964 21.948 51.706 1.00 0.00 H ATOM 1217 HB3 ASN A 82 32.717 21.829 51.984 1.00 0.00 H ATOM 1218 HD22 ASN A 82 30.474 24.054 51.679 1.00 0.00 H ATOM 1219 HD21 ASN A 82 31.323 25.287 50.677 1.00 0.00 H ATOM 1220 H ASN A 82 30.204 21.723 49.364 1.00 0.00 H ATOM 1221 N GLU A 83 31.013 18.988 51.271 1.00 45.64 N ATOM 1222 CA GLU A 83 30.992 17.689 51.938 1.00 45.29 C ATOM 1223 C GLU A 83 31.382 16.564 50.990 1.00 44.42 C ATOM 1224 O GLU A 83 32.107 15.644 51.369 1.00 43.47 O ATOM 1225 CB GLU A 83 29.607 17.407 52.523 1.00 45.53 C ATOM 1226 CG GLU A 83 29.212 18.375 53.607 1.00 49.71 C ATOM 1227 CD GLU A 83 30.276 18.488 54.681 1.00 52.42 C ATOM 1228 OE1 GLU A 83 30.557 17.467 55.350 1.00 52.49 O ATOM 1229 OE2 GLU A 83 30.833 19.598 54.846 1.00 54.18 O ATOM 1230 HA GLU A 83 31.725 17.728 52.743 1.00 0.00 H ATOM 1231 HB2 GLU A 83 28.873 17.467 51.720 1.00 0.00 H ATOM 1232 HB3 GLU A 83 29.605 16.400 52.940 1.00 0.00 H ATOM 1233 HG2 GLU A 83 29.055 19.357 53.162 1.00 0.00 H ATOM 1234 HG3 GLU A 83 28.284 18.032 54.065 1.00 0.00 H ATOM 1235 H GLU A 83 30.117 19.492 51.115 1.00 0.00 H ATOM 1236 N VAL A 84 30.901 16.636 49.756 1.00 42.61 N ATOM 1237 CA VAL A 84 31.222 15.610 48.776 1.00 41.95 C ATOM 1238 C VAL A 84 32.688 15.698 48.380 1.00 41.03 C ATOM 1239 O VAL A 84 33.308 14.696 48.048 1.00 40.88 O ATOM 1240 CB VAL A 84 30.344 15.751 47.507 1.00 40.31 C ATOM 1241 CG1 VAL A 84 30.862 14.838 46.406 1.00 40.68 C ATOM 1242 CG2 VAL A 84 28.903 15.409 47.840 1.00 39.06 C ATOM 1243 HA VAL A 84 31.022 14.642 49.236 1.00 0.00 H ATOM 1244 HB VAL A 84 30.391 16.781 47.153 1.00 0.00 H ATOM 1245 HG11 VAL A 84 31.889 15.111 46.162 1.00 0.00 H ATOM 1246 HG12 VAL A 84 30.831 13.804 46.749 1.00 0.00 H ATOM 1247 HG13 VAL A 84 30.236 14.947 45.521 1.00 0.00 H ATOM 1248 HG21 VAL A 84 28.849 14.383 48.205 1.00 0.00 H ATOM 1249 HG22 VAL A 84 28.538 16.089 48.610 1.00 0.00 H ATOM 1250 HG23 VAL A 84 28.291 15.510 46.944 1.00 0.00 H ATOM 1251 H VAL A 84 30.289 17.433 49.487 1.00 0.00 H ATOM 1252 N GLY A 85 33.239 16.905 48.429 1.00 42.90 N ATOM 1253 CA GLY A 85 34.627 17.099 48.051 1.00 43.81 C ATOM 1254 C GLY A 85 35.656 16.672 49.081 1.00 45.93 C ATOM 1255 O GLY A 85 36.801 17.120 49.027 1.00 47.48 O ATOM 1256 HA3 GLY A 85 34.774 18.160 47.850 1.00 0.00 H ATOM 1257 HA2 GLY A 85 34.809 16.529 47.140 1.00 0.00 H ATOM 1258 H GLY A 85 32.671 17.719 48.741 1.00 0.00 H ATOM 1259 N LYS A 86 35.263 15.807 50.013 1.00 46.37 N ATOM 1260 CA LYS A 86 36.174 15.333 51.054 1.00 48.83 C ATOM 1261 C LYS A 86 36.439 13.837 50.928 1.00 49.12 C ATOM 1262 O LYS A 86 35.541 13.066 50.573 1.00 48.58 O ATOM 1263 CB LYS A 86 35.599 15.634 52.447 1.00 50.66 C ATOM 1264 CG LYS A 86 35.499 17.121 52.761 1.00 52.89 C ATOM 1265 CD LYS A 86 34.996 17.368 54.165 1.00 53.95 C ATOM 1266 CE LYS A 86 35.008 18.856 54.480 1.00 55.53 C ATOM 1267 NZ LYS A 86 34.490 19.144 55.843 1.00 57.10 N ATOM 1268 HA LYS A 86 37.118 15.862 50.926 1.00 0.00 H ATOM 1269 HB2 LYS A 86 34.600 15.201 52.508 1.00 0.00 H ATOM 1270 HB3 LYS A 86 36.242 15.167 53.193 1.00 0.00 H ATOM 1271 HG2 LYS A 86 36.486 17.571 52.656 1.00 0.00 H ATOM 1272 HG3 LYS A 86 34.812 17.585 52.053 1.00 0.00 H ATOM 1273 HD2 LYS A 86 33.977 16.990 54.253 1.00 0.00 H ATOM 1274 HD3 LYS A 86 35.638 16.846 54.874 1.00 0.00 H ATOM 1275 HE2 LYS A 86 34.386 19.375 53.751 1.00 0.00 H ATOM 1276 HE3 LYS A 86 36.032 19.222 54.408 1.00 0.00 H ATOM 1277 HZ1 LYS A 86 33.510 18.804 55.919 1.00 0.00 H ATOM 1278 HZ2 LYS A 86 35.082 18.659 56.547 1.00 0.00 H ATOM 1279 HZ3 LYS A 86 34.517 20.170 56.013 1.00 0.00 H ATOM 1280 H LYS A 86 34.283 15.459 50.001 1.00 0.00 H ATOM 1281 N PHE A 87 37.672 13.434 51.222 1.00 48.24 N ATOM 1282 CA PHE A 87 38.050 12.027 51.146 1.00 49.79 C ATOM 1283 C PHE A 87 37.129 11.204 52.037 1.00 48.90 C ATOM 1284 O PHE A 87 36.837 10.042 51.747 1.00 49.03 O ATOM 1285 CB PHE A 87 39.511 11.843 51.567 1.00 50.19 C ATOM 1286 CG PHE A 87 40.490 12.532 50.656 1.00 51.26 C ATOM 1287 CD1 PHE A 87 40.503 12.255 49.290 1.00 51.18 C ATOM 1288 CD2 PHE A 87 41.390 13.469 51.160 1.00 51.97 C ATOM 1289 CE1 PHE A 87 41.396 12.901 48.437 1.00 52.04 C ATOM 1290 CE2 PHE A 87 42.291 14.123 50.316 1.00 51.48 C ATOM 1291 CZ PHE A 87 42.294 13.839 48.951 1.00 52.78 C ATOM 1292 HA PHE A 87 37.948 11.684 50.116 1.00 0.00 H ATOM 1293 HB2 PHE A 87 39.634 12.245 52.573 1.00 0.00 H ATOM 1294 HB3 PHE A 87 39.737 10.777 51.573 1.00 0.00 H ATOM 1295 HD2 PHE A 87 41.391 13.695 52.226 1.00 0.00 H ATOM 1296 HE2 PHE A 87 42.990 14.853 50.724 1.00 0.00 H ATOM 1297 HZ PHE A 87 42.994 14.347 48.288 1.00 0.00 H ATOM 1298 HE1 PHE A 87 41.394 12.675 47.371 1.00 0.00 H ATOM 1299 HD1 PHE A 87 39.805 11.523 48.883 1.00 0.00 H ATOM 1300 H PHE A 87 38.382 14.137 51.512 1.00 0.00 H ATOM 1301 N ARG A 88 36.658 11.819 53.114 1.00 48.60 N ATOM 1302 CA ARG A 88 35.748 11.147 54.028 1.00 49.49 C ATOM 1303 C ARG A 88 34.614 10.500 53.232 1.00 47.23 C ATOM 1304 O ARG A 88 34.215 9.366 53.501 1.00 47.02 O ATOM 1305 CB ARG A 88 35.180 12.156 55.032 1.00 52.69 C ATOM 1306 CG ARG A 88 36.083 12.397 56.236 1.00 60.21 C ATOM 1307 CD ARG A 88 36.086 13.862 56.689 1.00 65.56 C ATOM 1308 NE ARG A 88 34.764 14.374 57.049 1.00 67.89 N ATOM 1309 CZ ARG A 88 34.546 15.614 57.481 1.00 70.28 C ATOM 1310 NH1 ARG A 88 35.561 16.461 57.606 1.00 70.01 N ATOM 1311 NH2 ARG A 88 33.315 16.014 57.782 1.00 70.85 N ATOM 1312 HA ARG A 88 36.287 10.374 54.576 1.00 0.00 H ATOM 1313 HB2 ARG A 88 35.030 13.106 54.518 1.00 0.00 H ATOM 1314 HB3 ARG A 88 34.221 11.783 55.390 1.00 0.00 H ATOM 1315 HG2 ARG A 88 35.736 11.777 57.062 1.00 0.00 H ATOM 1316 HG3 ARG A 88 37.101 12.111 55.972 1.00 0.00 H ATOM 1317 HD2 ARG A 88 36.481 14.472 55.877 1.00 0.00 H ATOM 1318 HD3 ARG A 88 36.737 13.951 57.558 1.00 0.00 H ATOM 1319 HE ARG A 88 33.949 13.734 56.963 1.00 0.00 H ATOM 1320 HH12 ARG A 88 35.391 17.430 57.943 1.00 0.00 H ATOM 1321 HH11 ARG A 88 36.526 16.155 57.366 1.00 0.00 H ATOM 1322 HH22 ARG A 88 33.151 16.984 58.119 1.00 0.00 H ATOM 1323 HH21 ARG A 88 32.515 15.357 57.681 1.00 0.00 H ATOM 1324 H ARG A 88 36.945 12.800 53.308 1.00 0.00 H ATOM 1325 N PHE A 89 34.102 11.227 52.245 1.00 43.89 N ATOM 1326 CA PHE A 89 33.019 10.718 51.417 1.00 40.84 C ATOM 1327 C PHE A 89 33.562 10.034 50.180 1.00 39.85 C ATOM 1328 O PHE A 89 33.156 8.922 49.852 1.00 40.06 O ATOM 1329 CB PHE A 89 32.092 11.855 50.990 1.00 40.27 C ATOM 1330 CG PHE A 89 31.010 11.428 50.047 1.00 38.99 C ATOM 1331 CD1 PHE A 89 29.976 10.603 50.482 1.00 38.30 C ATOM 1332 CD2 PHE A 89 31.028 11.843 48.719 1.00 40.14 C ATOM 1333 CE1 PHE A 89 28.974 10.196 49.614 1.00 38.17 C ATOM 1334 CE2 PHE A 89 30.029 11.442 47.835 1.00 40.25 C ATOM 1335 CZ PHE A 89 28.999 10.617 48.282 1.00 39.84 C ATOM 1336 HA PHE A 89 32.460 9.995 52.011 1.00 0.00 H ATOM 1337 HB2 PHE A 89 31.626 12.273 51.882 1.00 0.00 H ATOM 1338 HB3 PHE A 89 32.692 12.623 50.501 1.00 0.00 H ATOM 1339 HD2 PHE A 89 31.832 12.489 48.367 1.00 0.00 H ATOM 1340 HE2 PHE A 89 30.053 11.773 46.797 1.00 0.00 H ATOM 1341 HZ PHE A 89 28.215 10.301 47.594 1.00 0.00 H ATOM 1342 HE1 PHE A 89 28.171 9.551 49.969 1.00 0.00 H ATOM 1343 HD1 PHE A 89 29.954 10.272 51.520 1.00 0.00 H ATOM 1344 H PHE A 89 34.482 12.177 52.061 1.00 0.00 H ATOM 1345 N LEU A 90 34.486 10.704 49.499 1.00 39.26 N ATOM 1346 CA LEU A 90 35.070 10.171 48.278 1.00 41.04 C ATOM 1347 C LEU A 90 35.602 8.748 48.431 1.00 42.81 C ATOM 1348 O LEU A 90 35.354 7.904 47.568 1.00 42.74 O ATOM 1349 CB LEU A 90 36.174 11.111 47.769 1.00 39.15 C ATOM 1350 CG LEU A 90 35.696 12.527 47.407 1.00 38.83 C ATOM 1351 CD1 LEU A 90 36.878 13.386 46.988 1.00 37.30 C ATOM 1352 CD2 LEU A 90 34.672 12.460 46.281 1.00 36.62 C ATOM 1353 HA LEU A 90 34.267 10.115 47.543 1.00 0.00 H ATOM 1354 HB2 LEU A 90 36.933 11.197 48.547 1.00 0.00 H ATOM 1355 HB3 LEU A 90 36.617 10.664 46.879 1.00 0.00 H ATOM 1356 HG LEU A 90 35.228 12.976 48.283 1.00 0.00 H ATOM 1357 HD21 LEU A 90 35.128 12.000 45.404 1.00 0.00 H ATOM 1358 HD22 LEU A 90 33.818 11.864 46.603 1.00 0.00 H ATOM 1359 HD23 LEU A 90 34.340 13.468 46.033 1.00 0.00 H ATOM 1360 HD11 LEU A 90 37.590 13.448 47.811 1.00 0.00 H ATOM 1361 HD12 LEU A 90 37.361 12.938 46.120 1.00 0.00 H ATOM 1362 HD13 LEU A 90 36.527 14.386 46.734 1.00 0.00 H ATOM 1363 H LEU A 90 34.799 11.632 49.848 1.00 0.00 H ATOM 1364 N ASN A 91 36.318 8.466 49.519 1.00 43.91 N ATOM 1365 CA ASN A 91 36.844 7.113 49.714 1.00 45.81 C ATOM 1366 C ASN A 91 35.722 6.077 49.670 1.00 45.71 C ATOM 1367 O ASN A 91 35.929 4.939 49.250 1.00 46.50 O ATOM 1368 CB ASN A 91 37.608 6.999 51.039 1.00 46.28 C ATOM 1369 CG ASN A 91 38.918 7.766 51.027 1.00 48.13 C ATOM 1370 OD1 ASN A 91 39.555 7.911 49.983 1.00 50.30 O ATOM 1371 ND2 ASN A 91 39.337 8.246 52.193 1.00 48.64 N ATOM 1372 HA ASN A 91 37.537 6.914 48.897 1.00 0.00 H ATOM 1373 HB2 ASN A 91 36.980 7.392 51.839 1.00 0.00 H ATOM 1374 HB3 ASN A 91 37.821 5.947 51.230 1.00 0.00 H ATOM 1375 HD22 ASN A 91 38.767 8.100 53.050 1.00 0.00 H ATOM 1376 HD21 ASN A 91 40.235 8.767 52.248 1.00 0.00 H ATOM 1377 H ASN A 91 36.503 9.204 50.228 1.00 0.00 H ATOM 1378 N GLU A 92 34.528 6.474 50.093 1.00 45.39 N ATOM 1379 CA GLU A 92 33.387 5.566 50.077 1.00 46.10 C ATOM 1380 C GLU A 92 32.957 5.210 48.651 1.00 45.64 C ATOM 1381 O GLU A 92 32.441 4.114 48.412 1.00 45.27 O ATOM 1382 CB GLU A 92 32.209 6.182 50.838 1.00 46.88 C ATOM 1383 CG GLU A 92 32.529 6.510 52.288 1.00 49.65 C ATOM 1384 CD GLU A 92 33.029 5.299 53.058 1.00 53.23 C ATOM 1385 OE1 GLU A 92 32.252 4.331 53.221 1.00 55.53 O ATOM 1386 OE2 GLU A 92 34.202 5.310 53.495 1.00 53.84 O ATOM 1387 HA GLU A 92 33.698 4.645 50.569 1.00 0.00 H ATOM 1388 HB2 GLU A 92 31.914 7.102 50.333 1.00 0.00 H ATOM 1389 HB3 GLU A 92 31.378 5.476 50.819 1.00 0.00 H ATOM 1390 HG2 GLU A 92 33.298 7.282 52.311 1.00 0.00 H ATOM 1391 HG3 GLU A 92 31.626 6.884 52.770 1.00 0.00 H ATOM 1392 H GLU A 92 34.405 7.446 50.441 1.00 0.00 H ATOM 1393 N LEU A 93 33.162 6.132 47.710 1.00 44.67 N ATOM 1394 CA LEU A 93 32.799 5.887 46.312 1.00 45.48 C ATOM 1395 C LEU A 93 33.878 5.048 45.635 1.00 46.90 C ATOM 1396 O LEU A 93 33.590 4.201 44.790 1.00 47.60 O ATOM 1397 CB LEU A 93 32.630 7.204 45.547 1.00 43.05 C ATOM 1398 CG LEU A 93 31.417 8.074 45.875 1.00 40.81 C ATOM 1399 CD1 LEU A 93 31.405 9.272 44.939 1.00 40.00 C ATOM 1400 CD2 LEU A 93 30.131 7.270 45.725 1.00 40.39 C ATOM 1401 HA LEU A 93 31.850 5.352 46.299 1.00 0.00 H ATOM 1402 HB2 LEU A 93 33.520 7.805 45.734 1.00 0.00 H ATOM 1403 HB3 LEU A 93 32.576 6.958 44.486 1.00 0.00 H ATOM 1404 HG LEU A 93 31.482 8.417 46.908 1.00 0.00 H ATOM 1405 HD21 LEU A 93 30.045 6.912 44.699 1.00 0.00 H ATOM 1406 HD22 LEU A 93 30.154 6.420 46.407 1.00 0.00 H ATOM 1407 HD23 LEU A 93 29.277 7.905 45.962 1.00 0.00 H ATOM 1408 HD11 LEU A 93 32.321 9.847 45.076 1.00 0.00 H ATOM 1409 HD12 LEU A 93 31.343 8.925 43.908 1.00 0.00 H ATOM 1410 HD13 LEU A 93 30.543 9.899 45.165 1.00 0.00 H ATOM 1411 H LEU A 93 33.588 7.043 47.974 1.00 0.00 H ATOM 1412 N ILE A 94 35.125 5.306 46.004 1.00 47.89 N ATOM 1413 CA ILE A 94 36.246 4.560 45.464 1.00 50.64 C ATOM 1414 C ILE A 94 36.068 3.093 45.847 1.00 52.30 C ATOM 1415 O ILE A 94 36.209 2.200 45.012 1.00 53.89 O ATOM 1416 CB ILE A 94 37.573 5.084 46.038 1.00 50.07 C ATOM 1417 CG1 ILE A 94 37.822 6.504 45.523 1.00 48.85 C ATOM 1418 CG2 ILE A 94 38.714 4.150 45.660 1.00 50.87 C ATOM 1419 CD1 ILE A 94 39.122 7.113 45.998 1.00 50.25 C ATOM 1420 HA ILE A 94 36.275 4.675 44.380 1.00 0.00 H ATOM 1421 HB ILE A 94 37.517 5.114 47.126 1.00 0.00 H ATOM 1422 HG12 ILE A 94 37.834 6.476 44.433 1.00 0.00 H ATOM 1423 HG13 ILE A 94 37.003 7.139 45.860 1.00 0.00 H ATOM 1424 HD11 ILE A 94 39.123 7.161 47.087 1.00 0.00 H ATOM 1425 HD12 ILE A 94 39.955 6.497 45.660 1.00 0.00 H ATOM 1426 HD13 ILE A 94 39.222 8.118 45.589 1.00 0.00 H ATOM 1427 HG21 ILE A 94 38.517 3.157 46.063 1.00 0.00 H ATOM 1428 HG22 ILE A 94 38.791 4.094 44.574 1.00 0.00 H ATOM 1429 HG23 ILE A 94 39.647 4.533 46.073 1.00 0.00 H ATOM 1430 H ILE A 94 35.304 6.061 46.697 1.00 0.00 H ATOM 1431 N LYS A 95 35.738 2.851 47.111 1.00 52.32 N ATOM 1432 CA LYS A 95 35.533 1.493 47.590 1.00 54.08 C ATOM 1433 C LYS A 95 34.485 0.753 46.761 1.00 54.59 C ATOM 1434 O LYS A 95 34.498 -0.473 46.686 1.00 56.08 O ATOM 1435 CB LYS A 95 35.123 1.516 49.066 1.00 53.89 C ATOM 1436 CG LYS A 95 36.203 2.088 49.978 1.00 55.67 C ATOM 1437 CD LYS A 95 35.739 2.240 51.422 1.00 57.02 C ATOM 1438 CE LYS A 95 36.824 2.899 52.280 1.00 59.12 C ATOM 1439 NZ LYS A 95 36.421 3.082 53.706 1.00 59.28 N ATOM 1440 HA LYS A 95 36.475 0.955 47.484 1.00 0.00 H ATOM 1441 HB2 LYS A 95 34.225 2.125 49.167 1.00 0.00 H ATOM 1442 HB3 LYS A 95 34.906 0.496 49.382 1.00 0.00 H ATOM 1443 HG2 LYS A 95 37.065 1.421 49.958 1.00 0.00 H ATOM 1444 HG3 LYS A 95 36.494 3.068 49.601 1.00 0.00 H ATOM 1445 HD2 LYS A 95 34.841 2.858 51.445 1.00 0.00 H ATOM 1446 HD3 LYS A 95 35.511 1.255 51.829 1.00 0.00 H ATOM 1447 HE2 LYS A 95 37.053 3.877 51.857 1.00 0.00 H ATOM 1448 HE3 LYS A 95 37.716 2.274 52.250 1.00 0.00 H ATOM 1449 HZ1 LYS A 95 35.576 3.686 53.751 1.00 0.00 H ATOM 1450 HZ2 LYS A 95 36.209 2.155 54.127 1.00 0.00 H ATOM 1451 HZ3 LYS A 95 37.199 3.532 54.230 1.00 0.00 H ATOM 1452 H LYS A 95 35.624 3.647 47.770 1.00 0.00 H ATOM 1453 N VAL A 96 33.585 1.493 46.123 1.00 55.27 N ATOM 1454 CA VAL A 96 32.541 0.869 45.316 1.00 55.55 C ATOM 1455 C VAL A 96 33.031 0.363 43.958 1.00 57.36 C ATOM 1456 O VAL A 96 32.527 -0.637 43.448 1.00 59.18 O ATOM 1457 CB VAL A 96 31.355 1.841 45.075 1.00 53.47 C ATOM 1458 CG1 VAL A 96 30.294 1.165 44.239 1.00 51.92 C ATOM 1459 CG2 VAL A 96 30.757 2.280 46.402 1.00 53.06 C ATOM 1460 HA VAL A 96 32.217 0.007 45.900 1.00 0.00 H ATOM 1461 HB VAL A 96 31.726 2.718 44.545 1.00 0.00 H ATOM 1462 HG11 VAL A 96 30.720 0.874 43.279 1.00 0.00 H ATOM 1463 HG12 VAL A 96 29.932 0.279 44.761 1.00 0.00 H ATOM 1464 HG13 VAL A 96 29.467 1.856 44.076 1.00 0.00 H ATOM 1465 HG21 VAL A 96 30.397 1.405 46.944 1.00 0.00 H ATOM 1466 HG22 VAL A 96 31.520 2.787 46.993 1.00 0.00 H ATOM 1467 HG23 VAL A 96 29.926 2.961 46.217 1.00 0.00 H ATOM 1468 H VAL A 96 33.625 2.529 46.199 1.00 0.00 H ATOM 1469 N VAL A 97 34.008 1.046 43.374 1.00 58.93 N ATOM 1470 CA VAL A 97 34.523 0.650 42.067 1.00 62.02 C ATOM 1471 C VAL A 97 35.888 -0.030 42.131 1.00 64.61 C ATOM 1472 O VAL A 97 36.309 -0.684 41.175 1.00 64.46 O ATOM 1473 CB VAL A 97 34.629 1.866 41.120 1.00 61.62 C ATOM 1474 CG1 VAL A 97 33.254 2.487 40.914 1.00 62.15 C ATOM 1475 CG2 VAL A 97 35.594 2.888 41.692 1.00 60.52 C ATOM 1476 HA VAL A 97 33.803 -0.073 41.684 1.00 0.00 H ATOM 1477 HB VAL A 97 35.009 1.533 40.154 1.00 0.00 H ATOM 1478 HG11 VAL A 97 32.585 1.747 40.475 1.00 0.00 H ATOM 1479 HG12 VAL A 97 32.857 2.814 41.875 1.00 0.00 H ATOM 1480 HG13 VAL A 97 33.340 3.343 40.245 1.00 0.00 H ATOM 1481 HG21 VAL A 97 35.233 3.221 42.665 1.00 0.00 H ATOM 1482 HG22 VAL A 97 36.578 2.433 41.804 1.00 0.00 H ATOM 1483 HG23 VAL A 97 35.661 3.741 41.016 1.00 0.00 H ATOM 1484 H VAL A 97 34.412 1.875 43.855 1.00 0.00 H ATOM 1485 N SER A 98 36.576 0.128 43.256 1.00 66.97 N ATOM 1486 CA SER A 98 37.893 -0.468 43.432 1.00 69.65 C ATOM 1487 C SER A 98 37.803 -1.965 43.719 1.00 71.13 C ATOM 1488 O SER A 98 37.259 -2.376 44.743 1.00 71.51 O ATOM 1489 CB SER A 98 38.631 0.234 44.572 1.00 70.00 C ATOM 1490 OG SER A 98 39.869 -0.398 44.842 1.00 72.89 O ATOM 1491 HA SER A 98 38.444 -0.340 42.500 1.00 0.00 H ATOM 1492 HB2 SER A 98 38.012 0.204 45.469 1.00 0.00 H ATOM 1493 HB3 SER A 98 38.814 1.272 44.293 1.00 0.00 H ATOM 1494 HG SER A 98 40.325 0.075 45.582 1.00 0.00 H ATOM 1495 H SER A 98 36.165 0.690 44.029 1.00 0.00 H ATOM 1496 N PRO A 99 38.330 -2.801 42.807 1.00 72.65 N ATOM 1497 CA PRO A 99 38.311 -4.259 42.966 1.00 73.31 C ATOM 1498 C PRO A 99 38.948 -4.712 44.277 1.00 73.81 C ATOM 1499 O PRO A 99 38.624 -5.783 44.796 1.00 72.77 O ATOM 1500 CB PRO A 99 39.087 -4.745 41.747 1.00 73.47 C ATOM 1501 CG PRO A 99 38.714 -3.733 40.711 1.00 74.05 C ATOM 1502 CD PRO A 99 38.848 -2.434 41.477 1.00 73.23 C ATOM 1503 HA PRO A 99 37.301 -4.666 43.019 1.00 0.00 H ATOM 1504 HD3 PRO A 99 39.888 -2.113 41.533 1.00 0.00 H ATOM 1505 HD2 PRO A 99 38.249 -1.644 41.024 1.00 0.00 H ATOM 1506 HG3 PRO A 99 37.693 -3.883 40.360 1.00 0.00 H ATOM 1507 HG2 PRO A 99 39.397 -3.765 39.862 1.00 0.00 H ATOM 1508 HB2 PRO A 99 40.161 -4.742 41.935 1.00 0.00 H ATOM 1509 HB3 PRO A 99 38.774 -5.747 41.452 1.00 0.00 H ATOM 1510 N LYS A 100 39.855 -3.896 44.809 1.00 74.26 N ATOM 1511 CA LYS A 100 40.516 -4.226 46.063 1.00 74.96 C ATOM 1512 C LYS A 100 39.497 -4.320 47.193 1.00 75.55 C ATOM 1513 O LYS A 100 39.572 -5.212 48.039 1.00 75.95 O ATOM 1514 CB LYS A 100 41.569 -3.174 46.421 1.00 74.61 C ATOM 1515 CG LYS A 100 42.238 -3.450 47.761 1.00 76.46 C ATOM 1516 CD LYS A 100 43.344 -2.464 48.095 1.00 77.28 C ATOM 1517 CE LYS A 100 43.977 -2.809 49.440 1.00 77.82 C ATOM 1518 NZ LYS A 100 45.121 -1.921 49.779 1.00 78.14 N ATOM 1519 HA LYS A 100 41.008 -5.190 45.935 1.00 0.00 H ATOM 1520 HB2 LYS A 100 42.333 -3.165 45.644 1.00 0.00 H ATOM 1521 HB3 LYS A 100 41.087 -2.197 46.465 1.00 0.00 H ATOM 1522 HG2 LYS A 100 41.481 -3.399 48.543 1.00 0.00 H ATOM 1523 HG3 LYS A 100 42.664 -4.453 47.735 1.00 0.00 H ATOM 1524 HD2 LYS A 100 44.107 -2.504 47.318 1.00 0.00 H ATOM 1525 HD3 LYS A 100 42.927 -1.458 48.142 1.00 0.00 H ATOM 1526 HE2 LYS A 100 44.333 -3.839 49.405 1.00 0.00 H ATOM 1527 HE3 LYS A 100 43.219 -2.714 50.217 1.00 0.00 H ATOM 1528 HZ1 LYS A 100 45.855 -2.009 49.048 1.00 0.00 H ATOM 1529 HZ2 LYS A 100 44.792 -0.935 49.824 1.00 0.00 H ATOM 1530 HZ3 LYS A 100 45.513 -2.199 50.701 1.00 0.00 H ATOM 1531 H LYS A 100 40.095 -3.009 44.321 1.00 0.00 H ATOM 1532 N TYR A 101 38.538 -3.399 47.197 1.00 76.05 N ATOM 1533 CA TYR A 101 37.511 -3.370 48.231 1.00 76.01 C ATOM 1534 C TYR A 101 36.228 -4.062 47.774 1.00 76.18 C ATOM 1535 O TYR A 101 36.173 -5.290 47.700 1.00 76.40 O ATOM 1536 CB TYR A 101 37.215 -1.922 48.631 1.00 75.44 C ATOM 1537 CG TYR A 101 38.452 -1.113 48.960 1.00 74.69 C ATOM 1538 CD1 TYR A 101 39.365 -0.761 47.966 1.00 74.55 C ATOM 1539 CD2 TYR A 101 38.717 -0.710 50.266 1.00 74.53 C ATOM 1540 CE1 TYR A 101 40.510 -0.026 48.262 1.00 74.80 C ATOM 1541 CE2 TYR A 101 39.860 0.025 50.575 1.00 75.38 C ATOM 1542 CZ TYR A 101 40.752 0.364 49.568 1.00 75.36 C ATOM 1543 OH TYR A 101 41.880 1.094 49.870 1.00 75.93 O ATOM 1544 HA TYR A 101 37.891 -3.916 49.094 1.00 0.00 H ATOM 1545 HB3 TYR A 101 36.568 -1.933 49.508 1.00 0.00 H ATOM 1546 HB2 TYR A 101 36.696 -1.436 47.805 1.00 0.00 H ATOM 1547 HD2 TYR A 101 38.019 -0.974 51.060 1.00 0.00 H ATOM 1548 HE2 TYR A 101 40.052 0.332 51.603 1.00 0.00 H ATOM 1549 HE1 TYR A 101 41.211 0.240 47.471 1.00 0.00 H ATOM 1550 HD1 TYR A 101 39.178 -1.067 46.937 1.00 0.00 H ATOM 1551 HH TYR A 101 42.403 1.248 49.044 1.00 0.00 H ATOM 1552 H TYR A 101 38.520 -2.682 46.444 1.00 0.00 H ATOM 1553 N LEU A 102 35.201 -3.272 47.467 1.00 76.11 N ATOM 1554 CA LEU A 102 33.917 -3.815 47.024 1.00 76.15 C ATOM 1555 C LEU A 102 33.849 -3.966 45.505 1.00 75.54 C ATOM 1556 O LEU A 102 32.892 -4.523 44.972 1.00 75.03 O ATOM 1557 CB LEU A 102 32.774 -2.906 47.491 1.00 76.70 C ATOM 1558 CG LEU A 102 32.732 -2.501 48.969 1.00 77.39 C ATOM 1559 CD1 LEU A 102 31.493 -1.652 49.230 1.00 76.64 C ATOM 1560 CD2 LEU A 102 32.719 -3.741 49.850 1.00 77.09 C ATOM 1561 HA LEU A 102 33.816 -4.806 47.467 1.00 0.00 H ATOM 1562 HB2 LEU A 102 32.830 -1.989 46.905 1.00 0.00 H ATOM 1563 HB3 LEU A 102 31.839 -3.421 47.269 1.00 0.00 H ATOM 1564 HG LEU A 102 33.620 -1.916 49.208 1.00 0.00 H ATOM 1565 HD21 LEU A 102 31.839 -4.341 49.618 1.00 0.00 H ATOM 1566 HD22 LEU A 102 33.619 -4.327 49.664 1.00 0.00 H ATOM 1567 HD23 LEU A 102 32.689 -3.441 50.897 1.00 0.00 H ATOM 1568 HD11 LEU A 102 31.530 -0.757 48.609 1.00 0.00 H ATOM 1569 HD12 LEU A 102 30.601 -2.229 48.986 1.00 0.00 H ATOM 1570 HD13 LEU A 102 31.465 -1.365 50.281 1.00 0.00 H ATOM 1571 H LEU A 102 35.315 -2.241 47.544 1.00 0.00 H ATOM 1572 N GLY A 103 34.877 -3.476 44.820 1.00 75.85 N ATOM 1573 CA GLY A 103 34.923 -3.534 43.369 1.00 77.05 C ATOM 1574 C GLY A 103 34.527 -4.823 42.666 1.00 78.08 C ATOM 1575 O GLY A 103 33.720 -4.793 41.736 1.00 77.17 O ATOM 1576 HA3 GLY A 103 35.948 -3.311 43.073 1.00 0.00 H ATOM 1577 HA2 GLY A 103 34.261 -2.752 42.997 1.00 0.00 H ATOM 1578 H GLY A 103 35.668 -3.040 45.335 1.00 0.00 H ATOM 1579 N ASP A 104 35.081 -5.954 43.097 1.00 78.90 N ATOM 1580 CA ASP A 104 34.788 -7.236 42.454 1.00 79.93 C ATOM 1581 C ASP A 104 33.403 -7.811 42.721 1.00 80.16 C ATOM 1582 O ASP A 104 33.103 -8.934 42.307 1.00 80.67 O ATOM 1583 CB ASP A 104 35.847 -8.272 42.840 1.00 79.72 C ATOM 1584 CG ASP A 104 37.222 -7.919 42.312 1.00 80.36 C ATOM 1585 OD1 ASP A 104 37.349 -7.687 41.087 1.00 79.66 O ATOM 1586 OD2 ASP A 104 38.174 -7.876 43.120 1.00 80.84 O ATOM 1587 HA ASP A 104 34.809 -7.016 41.387 1.00 0.00 H ATOM 1588 HB2 ASP A 104 35.895 -8.335 43.927 1.00 0.00 H ATOM 1589 HB3 ASP A 104 35.554 -9.240 42.434 1.00 0.00 H ATOM 1590 H ASP A 104 35.734 -5.926 43.906 1.00 0.00 H ATOM 1591 N ARG A 105 32.556 -7.044 43.398 1.00 79.92 N ATOM 1592 CA ARG A 105 31.211 -7.508 43.708 1.00 79.25 C ATOM 1593 C ARG A 105 30.133 -6.588 43.143 1.00 78.28 C ATOM 1594 O ARG A 105 29.087 -7.053 42.687 1.00 78.05 O ATOM 1595 CB ARG A 105 31.053 -7.640 45.222 1.00 80.86 C ATOM 1596 CG ARG A 105 31.997 -8.656 45.833 1.00 82.12 C ATOM 1597 CD ARG A 105 31.871 -8.701 47.339 1.00 83.82 C ATOM 1598 NE ARG A 105 32.700 -9.759 47.908 1.00 85.21 N ATOM 1599 CZ ARG A 105 32.869 -9.959 49.210 1.00 86.47 C ATOM 1600 NH1 ARG A 105 32.263 -9.168 50.087 1.00 86.67 N ATOM 1601 NH2 ARG A 105 33.644 -10.949 49.637 1.00 86.64 N ATOM 1602 HA ARG A 105 31.079 -8.480 43.233 1.00 0.00 H ATOM 1603 HB2 ARG A 105 31.247 -6.669 45.677 1.00 0.00 H ATOM 1604 HB3 ARG A 105 30.029 -7.944 45.439 1.00 0.00 H ATOM 1605 HG2 ARG A 105 31.765 -9.642 45.429 1.00 0.00 H ATOM 1606 HG3 ARG A 105 33.021 -8.389 45.572 1.00 0.00 H ATOM 1607 HD2 ARG A 105 30.830 -8.884 47.603 1.00 0.00 H ATOM 1608 HD3 ARG A 105 32.186 -7.742 47.751 1.00 0.00 H ATOM 1609 HE ARG A 105 33.191 -10.398 47.251 1.00 0.00 H ATOM 1610 HH12 ARG A 105 32.395 -9.325 51.107 1.00 0.00 H ATOM 1611 HH11 ARG A 105 31.656 -8.392 49.755 1.00 0.00 H ATOM 1612 HH22 ARG A 105 33.775 -11.104 50.657 1.00 0.00 H ATOM 1613 HH21 ARG A 105 34.120 -11.570 48.951 1.00 0.00 H ATOM 1614 H ARG A 105 32.857 -6.099 43.711 1.00 0.00 H ATOM 1615 N VAL A 106 30.396 -5.285 43.174 1.00 76.73 N ATOM 1616 CA VAL A 106 29.452 -4.292 42.667 1.00 74.34 C ATOM 1617 C VAL A 106 29.182 -4.513 41.179 1.00 72.64 C ATOM 1618 O VAL A 106 30.018 -5.064 40.463 1.00 71.74 O ATOM 1619 CB VAL A 106 29.996 -2.862 42.873 1.00 74.20 C ATOM 1620 CG1 VAL A 106 28.954 -1.845 42.461 1.00 74.14 C ATOM 1621 CG2 VAL A 106 30.393 -2.661 44.328 1.00 74.55 C ATOM 1622 HA VAL A 106 28.523 -4.407 43.225 1.00 0.00 H ATOM 1623 HB VAL A 106 30.879 -2.724 42.250 1.00 0.00 H ATOM 1624 HG11 VAL A 106 28.706 -1.986 41.409 1.00 0.00 H ATOM 1625 HG12 VAL A 106 28.058 -1.978 43.067 1.00 0.00 H ATOM 1626 HG13 VAL A 106 29.349 -0.840 42.611 1.00 0.00 H ATOM 1627 HG21 VAL A 106 29.521 -2.809 44.965 1.00 0.00 H ATOM 1628 HG22 VAL A 106 31.166 -3.381 44.595 1.00 0.00 H ATOM 1629 HG23 VAL A 106 30.775 -1.649 44.463 1.00 0.00 H ATOM 1630 H VAL A 106 31.302 -4.963 43.571 1.00 0.00 H ATOM 1631 N SER A 107 28.011 -4.076 40.724 1.00 71.03 N ATOM 1632 CA SER A 107 27.614 -4.228 39.327 1.00 70.03 C ATOM 1633 C SER A 107 28.209 -3.155 38.424 1.00 69.43 C ATOM 1634 O SER A 107 28.542 -2.058 38.874 1.00 69.21 O ATOM 1635 CB SER A 107 26.091 -4.182 39.206 1.00 69.78 C ATOM 1636 OG SER A 107 25.600 -2.897 39.540 1.00 68.76 O ATOM 1637 HA SER A 107 27.999 -5.194 38.999 1.00 0.00 H ATOM 1638 HB2 SER A 107 25.656 -4.918 39.882 1.00 0.00 H ATOM 1639 HB3 SER A 107 25.806 -4.419 38.181 1.00 0.00 H ATOM 1640 HG SER A 107 24.614 -2.890 39.455 1.00 0.00 H ATOM 1641 H SER A 107 27.357 -3.611 41.385 1.00 0.00 H ATOM 1642 N GLU A 108 28.331 -3.477 37.142 1.00 68.61 N ATOM 1643 CA GLU A 108 28.879 -2.539 36.177 1.00 68.33 C ATOM 1644 C GLU A 108 28.010 -1.289 36.109 1.00 66.97 C ATOM 1645 O GLU A 108 28.505 -0.195 35.844 1.00 67.37 O ATOM 1646 CB GLU A 108 28.976 -3.192 34.795 1.00 68.92 C ATOM 1647 CG GLU A 108 29.933 -4.377 34.737 1.00 69.90 C ATOM 1648 CD GLU A 108 31.351 -4.014 35.160 1.00 70.76 C ATOM 1649 OE1 GLU A 108 31.964 -3.129 34.519 1.00 71.10 O ATOM 1650 OE2 GLU A 108 31.853 -4.616 36.133 1.00 69.08 O ATOM 1651 HA GLU A 108 29.881 -2.254 36.498 1.00 0.00 H ATOM 1652 HB2 GLU A 108 27.983 -3.538 34.508 1.00 0.00 H ATOM 1653 HB3 GLU A 108 29.317 -2.440 34.083 1.00 0.00 H ATOM 1654 HG2 GLU A 108 29.561 -5.158 35.400 1.00 0.00 H ATOM 1655 HG3 GLU A 108 29.960 -4.753 33.714 1.00 0.00 H ATOM 1656 H GLU A 108 28.028 -4.419 36.822 1.00 0.00 H ATOM 1657 N LYS A 109 26.715 -1.451 36.351 1.00 65.33 N ATOM 1658 CA LYS A 109 25.806 -0.315 36.324 1.00 63.85 C ATOM 1659 C LYS A 109 26.226 0.706 37.375 1.00 61.04 C ATOM 1660 O LYS A 109 26.443 1.872 37.061 1.00 60.37 O ATOM 1661 CB LYS A 109 24.371 -0.760 36.607 1.00 66.14 C ATOM 1662 CG LYS A 109 23.713 -1.552 35.498 1.00 70.31 C ATOM 1663 CD LYS A 109 22.243 -1.812 35.828 1.00 73.02 C ATOM 1664 CE LYS A 109 21.563 -2.654 34.753 1.00 75.17 C ATOM 1665 NZ LYS A 109 20.136 -2.951 35.091 1.00 75.28 N ATOM 1666 HA LYS A 109 25.849 0.132 35.331 1.00 0.00 H ATOM 1667 HB2 LYS A 109 24.380 -1.379 37.504 1.00 0.00 H ATOM 1668 HB3 LYS A 109 23.770 0.131 36.788 1.00 0.00 H ATOM 1669 HG2 LYS A 109 23.778 -0.989 34.567 1.00 0.00 H ATOM 1670 HG3 LYS A 109 24.229 -2.505 35.382 1.00 0.00 H ATOM 1671 HD2 LYS A 109 22.182 -2.339 36.780 1.00 0.00 H ATOM 1672 HD3 LYS A 109 21.725 -0.857 35.909 1.00 0.00 H ATOM 1673 HE2 LYS A 109 22.103 -3.595 34.649 1.00 0.00 H ATOM 1674 HE3 LYS A 109 21.595 -2.111 33.808 1.00 0.00 H ATOM 1675 HZ1 LYS A 109 20.095 -3.475 35.988 1.00 0.00 H ATOM 1676 HZ2 LYS A 109 19.610 -2.059 35.185 1.00 0.00 H ATOM 1677 HZ3 LYS A 109 19.714 -3.525 34.333 1.00 0.00 H ATOM 1678 H LYS A 109 26.346 -2.400 36.562 1.00 0.00 H ATOM 1679 N VAL A 110 26.335 0.254 38.622 1.00 58.60 N ATOM 1680 CA VAL A 110 26.721 1.115 39.736 1.00 56.06 C ATOM 1681 C VAL A 110 28.112 1.705 39.537 1.00 54.94 C ATOM 1682 O VAL A 110 28.329 2.897 39.759 1.00 54.45 O ATOM 1683 CB VAL A 110 26.708 0.339 41.078 1.00 56.34 C ATOM 1684 CG1 VAL A 110 27.166 1.242 42.218 1.00 54.11 C ATOM 1685 CG2 VAL A 110 25.311 -0.198 41.356 1.00 56.21 C ATOM 1686 HA VAL A 110 25.988 1.921 39.768 1.00 0.00 H ATOM 1687 HB VAL A 110 27.399 -0.501 41.005 1.00 0.00 H ATOM 1688 HG11 VAL A 110 28.179 1.591 42.019 1.00 0.00 H ATOM 1689 HG12 VAL A 110 26.494 2.097 42.295 1.00 0.00 H ATOM 1690 HG13 VAL A 110 27.151 0.681 43.153 1.00 0.00 H ATOM 1691 HG21 VAL A 110 24.609 0.633 41.415 1.00 0.00 H ATOM 1692 HG22 VAL A 110 25.014 -0.869 40.550 1.00 0.00 H ATOM 1693 HG23 VAL A 110 25.313 -0.741 42.301 1.00 0.00 H ATOM 1694 H VAL A 110 26.138 -0.750 38.810 1.00 0.00 H ATOM 1695 N LYS A 111 29.052 0.862 39.122 1.00 53.74 N ATOM 1696 CA LYS A 111 30.426 1.294 38.898 1.00 52.87 C ATOM 1697 C LYS A 111 30.539 2.418 37.871 1.00 49.20 C ATOM 1698 O LYS A 111 31.083 3.474 38.165 1.00 48.58 O ATOM 1699 CB LYS A 111 31.290 0.113 38.446 1.00 56.01 C ATOM 1700 CG LYS A 111 32.665 0.525 37.929 1.00 61.26 C ATOM 1701 CD LYS A 111 33.326 -0.572 37.097 1.00 62.50 C ATOM 1702 CE LYS A 111 34.605 -0.055 36.441 1.00 64.20 C ATOM 1703 NZ LYS A 111 35.244 -1.059 35.543 1.00 65.79 N ATOM 1704 HA LYS A 111 30.783 1.682 39.852 1.00 0.00 H ATOM 1705 HB2 LYS A 111 31.427 -0.558 39.294 1.00 0.00 H ATOM 1706 HB3 LYS A 111 30.765 -0.413 37.649 1.00 0.00 H ATOM 1707 HG2 LYS A 111 32.554 1.416 37.310 1.00 0.00 H ATOM 1708 HG3 LYS A 111 33.306 0.753 38.781 1.00 0.00 H ATOM 1709 HD2 LYS A 111 33.571 -1.414 37.744 1.00 0.00 H ATOM 1710 HD3 LYS A 111 32.633 -0.900 36.322 1.00 0.00 H ATOM 1711 HE2 LYS A 111 35.314 0.212 37.224 1.00 0.00 H ATOM 1712 HE3 LYS A 111 34.362 0.831 35.855 1.00 0.00 H ATOM 1713 HZ1 LYS A 111 35.490 -1.907 36.093 1.00 0.00 H ATOM 1714 HZ2 LYS A 111 34.580 -1.316 34.785 1.00 0.00 H ATOM 1715 HZ3 LYS A 111 36.106 -0.652 35.127 1.00 0.00 H ATOM 1716 H LYS A 111 28.800 -0.133 38.953 1.00 0.00 H ATOM 1717 N THR A 112 30.033 2.193 36.666 1.00 47.41 N ATOM 1718 CA THR A 112 30.128 3.216 35.637 1.00 47.36 C ATOM 1719 C THR A 112 29.428 4.506 36.068 1.00 45.47 C ATOM 1720 O THR A 112 29.945 5.599 35.833 1.00 44.73 O ATOM 1721 CB THR A 112 29.547 2.726 34.292 1.00 48.52 C ATOM 1722 OG1 THR A 112 28.130 2.587 34.396 1.00 52.34 O ATOM 1723 CG2 THR A 112 30.143 1.386 33.922 1.00 49.38 C ATOM 1724 HA THR A 112 31.189 3.425 35.497 1.00 0.00 H ATOM 1725 HB THR A 112 29.792 3.459 33.523 1.00 0.00 H ATOM 1726 HG1 THR A 112 27.915 1.929 35.104 1.00 0.00 H ATOM 1727 HG23 THR A 112 31.226 1.482 33.840 1.00 0.00 H ATOM 1728 HG21 THR A 112 29.899 0.656 34.693 1.00 0.00 H ATOM 1729 HG22 THR A 112 29.733 1.058 32.967 1.00 0.00 H ATOM 1730 H THR A 112 29.569 1.286 36.457 1.00 0.00 H ATOM 1731 N LYS A 113 28.270 4.383 36.716 1.00 43.30 N ATOM 1732 CA LYS A 113 27.537 5.561 37.175 1.00 40.99 C ATOM 1733 C LYS A 113 28.442 6.407 38.072 1.00 41.26 C ATOM 1734 O LYS A 113 28.580 7.616 37.880 1.00 37.05 O ATOM 1735 CB LYS A 113 26.282 5.148 37.951 1.00 42.88 C ATOM 1736 CG LYS A 113 25.430 6.326 38.439 1.00 42.63 C ATOM 1737 CD LYS A 113 24.939 7.164 37.259 1.00 44.16 C ATOM 1738 CE LYS A 113 24.253 8.444 37.706 1.00 45.82 C ATOM 1739 NZ LYS A 113 23.739 9.224 36.537 1.00 45.53 N ATOM 1740 HA LYS A 113 27.231 6.144 36.306 1.00 0.00 H ATOM 1741 HB2 LYS A 113 25.666 4.527 37.301 1.00 0.00 H ATOM 1742 HB3 LYS A 113 26.592 4.567 38.819 1.00 0.00 H ATOM 1743 HG2 LYS A 113 24.570 5.943 38.988 1.00 0.00 H ATOM 1744 HG3 LYS A 113 26.030 6.953 39.098 1.00 0.00 H ATOM 1745 HD2 LYS A 113 25.793 7.424 36.634 1.00 0.00 H ATOM 1746 HD3 LYS A 113 24.232 6.572 36.678 1.00 0.00 H ATOM 1747 HE2 LYS A 113 24.968 9.057 38.255 1.00 0.00 H ATOM 1748 HE3 LYS A 113 23.418 8.190 38.358 1.00 0.00 H ATOM 1749 HZ1 LYS A 113 24.532 9.474 35.913 1.00 0.00 H ATOM 1750 HZ2 LYS A 113 23.052 8.646 36.012 1.00 0.00 H ATOM 1751 HZ3 LYS A 113 23.277 10.091 36.877 1.00 0.00 H ATOM 1752 H LYS A 113 27.882 3.435 36.898 1.00 0.00 H ATOM 1753 N VAL A 114 29.061 5.749 39.047 1.00 40.79 N ATOM 1754 CA VAL A 114 29.961 6.405 39.984 1.00 41.20 C ATOM 1755 C VAL A 114 31.094 7.136 39.267 1.00 41.35 C ATOM 1756 O VAL A 114 31.418 8.273 39.594 1.00 40.89 O ATOM 1757 CB VAL A 114 30.585 5.374 40.957 1.00 41.61 C ATOM 1758 CG1 VAL A 114 31.651 6.041 41.808 1.00 38.16 C ATOM 1759 CG2 VAL A 114 29.499 4.749 41.829 1.00 41.32 C ATOM 1760 HA VAL A 114 29.362 7.130 40.536 1.00 0.00 H ATOM 1761 HB VAL A 114 31.057 4.578 40.381 1.00 0.00 H ATOM 1762 HG11 VAL A 114 32.431 6.443 41.162 1.00 0.00 H ATOM 1763 HG12 VAL A 114 31.201 6.851 42.383 1.00 0.00 H ATOM 1764 HG13 VAL A 114 32.083 5.307 42.488 1.00 0.00 H ATOM 1765 HG21 VAL A 114 29.003 5.530 42.405 1.00 0.00 H ATOM 1766 HG22 VAL A 114 28.770 4.246 41.194 1.00 0.00 H ATOM 1767 HG23 VAL A 114 29.951 4.026 42.508 1.00 0.00 H ATOM 1768 H VAL A 114 28.896 4.727 39.144 1.00 0.00 H ATOM 1769 N ILE A 115 31.702 6.474 38.292 1.00 41.94 N ATOM 1770 CA ILE A 115 32.806 7.072 37.551 1.00 43.58 C ATOM 1771 C ILE A 115 32.326 8.267 36.739 1.00 42.02 C ATOM 1772 O ILE A 115 32.974 9.315 36.697 1.00 40.33 O ATOM 1773 CB ILE A 115 33.467 6.021 36.642 1.00 45.14 C ATOM 1774 CG1 ILE A 115 34.209 5.009 37.525 1.00 46.30 C ATOM 1775 CG2 ILE A 115 34.407 6.697 35.641 1.00 44.32 C ATOM 1776 CD1 ILE A 115 34.577 3.717 36.829 1.00 49.73 C ATOM 1777 HA ILE A 115 33.550 7.429 38.263 1.00 0.00 H ATOM 1778 HB ILE A 115 32.710 5.494 36.062 1.00 0.00 H ATOM 1779 HG12 ILE A 115 35.127 5.477 37.881 1.00 0.00 H ATOM 1780 HG13 ILE A 115 33.572 4.768 38.376 1.00 0.00 H ATOM 1781 HD11 ILE A 115 33.671 3.225 36.476 1.00 0.00 H ATOM 1782 HD12 ILE A 115 35.227 3.935 35.982 1.00 0.00 H ATOM 1783 HD13 ILE A 115 35.097 3.064 37.530 1.00 0.00 H ATOM 1784 HG21 ILE A 115 33.839 7.394 35.024 1.00 0.00 H ATOM 1785 HG22 ILE A 115 35.183 7.238 36.182 1.00 0.00 H ATOM 1786 HG23 ILE A 115 34.866 5.939 35.006 1.00 0.00 H ATOM 1787 H ILE A 115 31.386 5.513 38.052 1.00 0.00 H ATOM 1788 N GLU A 116 31.176 8.100 36.106 1.00 41.77 N ATOM 1789 CA GLU A 116 30.578 9.160 35.312 1.00 43.19 C ATOM 1790 C GLU A 116 30.434 10.426 36.171 1.00 43.15 C ATOM 1791 O GLU A 116 30.790 11.525 35.743 1.00 41.89 O ATOM 1792 CB GLU A 116 29.218 8.679 34.828 1.00 45.40 C ATOM 1793 CG GLU A 116 28.394 9.681 34.072 1.00 49.53 C ATOM 1794 CD GLU A 116 27.020 9.131 33.766 1.00 51.22 C ATOM 1795 OE1 GLU A 116 26.941 8.063 33.112 1.00 50.38 O ATOM 1796 OE2 GLU A 116 26.027 9.762 34.190 1.00 52.39 O ATOM 1797 HA GLU A 116 31.206 9.402 34.454 1.00 0.00 H ATOM 1798 HB2 GLU A 116 29.381 7.821 34.176 1.00 0.00 H ATOM 1799 HB3 GLU A 116 28.645 8.367 35.701 1.00 0.00 H ATOM 1800 HG2 GLU A 116 28.291 10.584 34.673 1.00 0.00 H ATOM 1801 HG3 GLU A 116 28.898 9.924 33.136 1.00 0.00 H ATOM 1802 H GLU A 116 30.687 7.185 36.179 1.00 0.00 H ATOM 1803 N LEU A 117 29.929 10.249 37.391 1.00 41.18 N ATOM 1804 CA LEU A 117 29.724 11.349 38.332 1.00 41.46 C ATOM 1805 C LEU A 117 31.029 12.001 38.762 1.00 40.58 C ATOM 1806 O LEU A 117 31.150 13.228 38.748 1.00 41.49 O ATOM 1807 CB LEU A 117 28.957 10.853 39.567 1.00 37.94 C ATOM 1808 CG LEU A 117 27.535 10.378 39.260 1.00 39.94 C ATOM 1809 CD1 LEU A 117 26.914 9.745 40.497 1.00 40.63 C ATOM 1810 CD2 LEU A 117 26.697 11.549 38.766 1.00 39.07 C ATOM 1811 HA LEU A 117 29.139 12.107 37.812 1.00 0.00 H ATOM 1812 HB2 LEU A 117 29.510 10.022 40.005 1.00 0.00 H ATOM 1813 HB3 LEU A 117 28.899 11.669 40.287 1.00 0.00 H ATOM 1814 HG LEU A 117 27.568 9.622 38.475 1.00 0.00 H ATOM 1815 HD21 LEU A 117 26.662 12.320 39.536 1.00 0.00 H ATOM 1816 HD22 LEU A 117 27.145 11.958 37.860 1.00 0.00 H ATOM 1817 HD23 LEU A 117 25.686 11.205 38.549 1.00 0.00 H ATOM 1818 HD11 LEU A 117 27.517 8.892 40.808 1.00 0.00 H ATOM 1819 HD12 LEU A 117 26.880 10.480 41.301 1.00 0.00 H ATOM 1820 HD13 LEU A 117 25.903 9.412 40.264 1.00 0.00 H ATOM 1821 H LEU A 117 29.669 9.286 37.687 1.00 0.00 H ATOM 1822 N LEU A 118 32.001 11.176 39.148 1.00 40.44 N ATOM 1823 CA LEU A 118 33.307 11.671 39.567 1.00 38.60 C ATOM 1824 C LEU A 118 33.924 12.470 38.428 1.00 38.41 C ATOM 1825 O LEU A 118 34.376 13.603 38.618 1.00 40.40 O ATOM 1826 CB LEU A 118 34.223 10.504 39.951 1.00 36.76 C ATOM 1827 CG LEU A 118 33.945 9.860 41.316 1.00 38.57 C ATOM 1828 CD1 LEU A 118 34.807 8.615 41.488 1.00 37.15 C ATOM 1829 CD2 LEU A 118 34.243 10.864 42.422 1.00 37.68 C ATOM 1830 HA LEU A 118 33.187 12.312 40.441 1.00 0.00 H ATOM 1831 HB2 LEU A 118 34.119 9.732 39.189 1.00 0.00 H ATOM 1832 HB3 LEU A 118 35.249 10.871 39.957 1.00 0.00 H ATOM 1833 HG LEU A 118 32.896 9.569 41.372 1.00 0.00 H ATOM 1834 HD21 LEU A 118 35.290 11.163 42.367 1.00 0.00 H ATOM 1835 HD22 LEU A 118 33.607 11.740 42.297 1.00 0.00 H ATOM 1836 HD23 LEU A 118 34.045 10.405 43.391 1.00 0.00 H ATOM 1837 HD11 LEU A 118 34.573 7.901 40.699 1.00 0.00 H ATOM 1838 HD12 LEU A 118 35.859 8.892 41.428 1.00 0.00 H ATOM 1839 HD13 LEU A 118 34.603 8.165 42.459 1.00 0.00 H ATOM 1840 H LEU A 118 31.824 10.151 39.151 1.00 0.00 H ATOM 1841 N TYR A 119 33.938 11.881 37.240 1.00 37.03 N ATOM 1842 CA TYR A 119 34.483 12.567 36.080 1.00 38.22 C ATOM 1843 C TYR A 119 33.738 13.888 35.914 1.00 39.17 C ATOM 1844 O TYR A 119 34.350 14.939 35.724 1.00 38.05 O ATOM 1845 CB TYR A 119 34.322 11.697 34.830 1.00 37.18 C ATOM 1846 CG TYR A 119 34.857 12.313 33.558 1.00 37.17 C ATOM 1847 CD1 TYR A 119 36.026 13.078 33.561 1.00 39.50 C ATOM 1848 CD2 TYR A 119 34.194 12.132 32.347 1.00 39.62 C ATOM 1849 CE1 TYR A 119 36.516 13.653 32.386 1.00 40.16 C ATOM 1850 CE2 TYR A 119 34.676 12.697 31.166 1.00 40.62 C ATOM 1851 CZ TYR A 119 35.833 13.455 31.193 1.00 41.38 C ATOM 1852 OH TYR A 119 36.307 13.999 30.025 1.00 43.80 O ATOM 1853 HA TYR A 119 35.547 12.758 36.220 1.00 0.00 H ATOM 1854 HB3 TYR A 119 33.260 11.497 34.690 1.00 0.00 H ATOM 1855 HB2 TYR A 119 34.848 10.758 35.000 1.00 0.00 H ATOM 1856 HD2 TYR A 119 33.281 11.537 32.321 1.00 0.00 H ATOM 1857 HE2 TYR A 119 34.144 12.542 30.227 1.00 0.00 H ATOM 1858 HE1 TYR A 119 37.427 14.252 32.405 1.00 0.00 H ATOM 1859 HD1 TYR A 119 36.565 13.229 34.496 1.00 0.00 H ATOM 1860 HH TYR A 119 36.503 13.274 29.380 1.00 0.00 H ATOM 1861 H TYR A 119 33.556 10.919 37.137 1.00 0.00 H ATOM 1862 N SER A 120 32.416 13.828 36.025 1.00 39.73 N ATOM 1863 CA SER A 120 31.585 15.019 35.882 1.00 41.97 C ATOM 1864 C SER A 120 31.947 16.120 36.867 1.00 41.32 C ATOM 1865 O SER A 120 32.023 17.288 36.493 1.00 41.97 O ATOM 1866 CB SER A 120 30.110 14.667 36.063 1.00 39.17 C ATOM 1867 OG SER A 120 29.694 13.762 35.062 1.00 44.35 O ATOM 1868 HA SER A 120 31.769 15.395 34.876 1.00 0.00 H ATOM 1869 HB2 SER A 120 29.513 15.576 35.996 1.00 0.00 H ATOM 1870 HB3 SER A 120 29.967 14.211 37.042 1.00 0.00 H ATOM 1871 HG SER A 120 30.234 12.934 35.122 1.00 0.00 H ATOM 1872 H SER A 120 31.963 12.912 36.218 1.00 0.00 H ATOM 1873 N TRP A 121 32.182 15.748 38.119 1.00 40.76 N ATOM 1874 CA TRP A 121 32.502 16.736 39.141 1.00 41.31 C ATOM 1875 C TRP A 121 33.860 17.400 39.003 1.00 42.46 C ATOM 1876 O TRP A 121 34.021 18.554 39.403 1.00 41.15 O ATOM 1877 CB TRP A 121 32.367 16.119 40.532 1.00 39.69 C ATOM 1878 CG TRP A 121 31.018 15.524 40.768 1.00 40.03 C ATOM 1879 CD1 TRP A 121 29.840 15.904 40.183 1.00 37.82 C ATOM 1880 CD2 TRP A 121 30.693 14.465 41.675 1.00 37.00 C ATOM 1881 NE1 TRP A 121 28.805 15.145 40.673 1.00 39.40 N ATOM 1882 CE2 TRP A 121 29.299 14.254 41.588 1.00 37.00 C ATOM 1883 CE3 TRP A 121 31.444 13.674 42.552 1.00 39.36 C ATOM 1884 CZ2 TRP A 121 28.636 13.283 42.347 1.00 38.27 C ATOM 1885 CZ3 TRP A 121 30.785 12.704 43.311 1.00 40.32 C ATOM 1886 CH2 TRP A 121 29.391 12.519 43.200 1.00 37.87 C ATOM 1887 HA TRP A 121 31.775 17.535 38.994 1.00 0.00 H ATOM 1888 HB2 TRP A 121 33.118 15.337 40.642 1.00 0.00 H ATOM 1889 HB3 TRP A 121 32.542 16.895 41.277 1.00 0.00 H ATOM 1890 HE1 TRP A 121 27.807 15.233 40.394 1.00 0.00 H ATOM 1891 HD1 TRP A 121 29.738 16.693 39.438 1.00 0.00 H ATOM 1892 HZ2 TRP A 121 27.559 13.139 42.263 1.00 0.00 H ATOM 1893 HH2 TRP A 121 28.904 11.754 43.804 1.00 0.00 H ATOM 1894 HZ3 TRP A 121 31.356 12.081 43.999 1.00 0.00 H ATOM 1895 HE3 TRP A 121 32.522 13.812 42.641 1.00 0.00 H ATOM 1896 H TRP A 121 32.137 14.741 38.373 1.00 0.00 H ATOM 1897 N THR A 122 34.836 16.679 38.452 1.00 44.68 N ATOM 1898 CA THR A 122 36.169 17.239 38.264 1.00 46.72 C ATOM 1899 C THR A 122 36.052 18.381 37.267 1.00 48.65 C ATOM 1900 O THR A 122 36.862 19.304 37.266 1.00 49.28 O ATOM 1901 CB THR A 122 37.160 16.195 37.704 1.00 46.11 C ATOM 1902 OG1 THR A 122 36.712 15.747 36.418 1.00 47.59 O ATOM 1903 CG2 THR A 122 37.269 15.009 38.639 1.00 45.39 C ATOM 1904 HA THR A 122 36.548 17.574 39.229 1.00 0.00 H ATOM 1905 HB THR A 122 38.141 16.662 37.612 1.00 0.00 H ATOM 1906 HG1 THR A 122 35.816 15.336 36.507 1.00 0.00 H ATOM 1907 HG23 THR A 122 37.610 15.349 39.617 1.00 0.00 H ATOM 1908 HG21 THR A 122 36.293 14.535 38.738 1.00 0.00 H ATOM 1909 HG22 THR A 122 37.983 14.292 38.233 1.00 0.00 H ATOM 1910 H THR A 122 34.644 15.702 38.152 1.00 0.00 H HETATM 1911 N MSE A 123 35.026 18.312 36.426 1.00 51.21 N HETATM 1912 CA MSE A 123 34.784 19.341 35.421 1.00 54.51 C HETATM 1913 C MSE A 123 33.990 20.498 36.009 1.00 53.33 C HETATM 1914 O MSE A 123 34.390 21.655 35.914 1.00 54.01 O HETATM 1915 CB MSE A 123 33.987 18.771 34.250 1.00 57.69 C HETATM 1916 CG MSE A 123 34.713 17.761 33.385 1.00 65.69 C HETATM 1917 SE MSE A 123 33.490 17.069 32.051 1.00 75.83 S HETATM 1918 CE MSE A 123 32.984 15.433 32.930 1.00 72.92 C HETATM 1919 HE3 MSE A 123 32.274 14.891 32.305 1.00 0.00 H HETATM 1920 HE2 MSE A 123 32.522 15.665 33.889 1.00 0.00 H HETATM 1921 HE1 MSE A 123 33.870 14.820 33.092 1.00 0.00 H HETATM 1922 HG2 MSE A 123 35.557 18.243 32.891 1.00 0.00 H HETATM 1923 HG1 MSE A 123 35.076 16.943 34.006 1.00 0.00 H HETATM 1924 HB2 MSE A 123 33.688 19.603 33.613 1.00 0.00 H HETATM 1925 HB1 MSE A 123 33.098 18.287 34.655 1.00 0.00 H HETATM 1926 HA MSE A 123 35.757 19.694 35.079 1.00 0.00 H HETATM 1927 H MSE A 123 34.377 17.501 36.486 1.00 0.00 H ATOM 1928 N ALA A 124 32.856 20.162 36.611 1.00 52.69 N ATOM 1929 CA ALA A 124 31.950 21.140 37.196 1.00 51.57 C ATOM 1930 C ALA A 124 32.459 21.830 38.462 1.00 51.37 C ATOM 1931 O ALA A 124 32.130 22.988 38.714 1.00 50.83 O ATOM 1932 CB ALA A 124 30.613 20.471 37.475 1.00 50.87 C ATOM 1933 HA ALA A 124 31.858 21.938 36.459 1.00 0.00 H ATOM 1934 HB1 ALA A 124 30.195 20.094 36.542 1.00 0.00 H ATOM 1935 HB2 ALA A 124 30.760 19.644 38.169 1.00 0.00 H ATOM 1936 HB3 ALA A 124 29.929 21.198 37.913 1.00 0.00 H ATOM 1937 H ALA A 124 32.603 19.155 36.667 1.00 0.00 H ATOM 1938 N LEU A 125 33.252 21.117 39.253 1.00 50.84 N ATOM 1939 CA LEU A 125 33.786 21.652 40.501 1.00 50.76 C ATOM 1940 C LEU A 125 35.304 21.705 40.480 1.00 52.14 C ATOM 1941 O LEU A 125 35.962 21.053 41.292 1.00 50.17 O ATOM 1942 CB LEU A 125 33.334 20.778 41.674 1.00 49.41 C ATOM 1943 CG LEU A 125 32.091 21.162 42.472 1.00 50.18 C ATOM 1944 CD1 LEU A 125 31.000 21.690 41.559 1.00 49.86 C ATOM 1945 CD2 LEU A 125 31.616 19.945 43.250 1.00 49.42 C ATOM 1946 HA LEU A 125 33.406 22.667 40.617 1.00 0.00 H ATOM 1947 HB2 LEU A 125 33.156 19.780 41.274 1.00 0.00 H ATOM 1948 HB3 LEU A 125 34.164 20.743 42.380 1.00 0.00 H ATOM 1949 HG LEU A 125 32.338 21.963 43.169 1.00 0.00 H ATOM 1950 HD21 LEU A 125 31.376 19.141 42.554 1.00 0.00 H ATOM 1951 HD22 LEU A 125 32.405 19.618 43.927 1.00 0.00 H ATOM 1952 HD23 LEU A 125 30.728 20.207 43.825 1.00 0.00 H ATOM 1953 HD11 LEU A 125 31.364 22.572 41.032 1.00 0.00 H ATOM 1954 HD12 LEU A 125 30.728 20.920 40.837 1.00 0.00 H ATOM 1955 HD13 LEU A 125 30.127 21.956 42.155 1.00 0.00 H ATOM 1956 H LEU A 125 33.500 20.146 38.974 1.00 0.00 H ATOM 1957 N PRO A 126 35.883 22.494 39.557 1.00 54.43 N ATOM 1958 CA PRO A 126 37.341 22.616 39.446 1.00 55.35 C ATOM 1959 C PRO A 126 37.929 23.027 40.788 1.00 56.76 C ATOM 1960 O PRO A 126 39.101 22.792 41.067 1.00 57.15 O ATOM 1961 CB PRO A 126 37.520 23.703 38.388 1.00 55.81 C ATOM 1962 CG PRO A 126 36.261 23.616 37.579 1.00 56.23 C ATOM 1963 CD PRO A 126 35.212 23.427 38.638 1.00 55.20 C ATOM 1964 HA PRO A 126 37.846 21.690 39.173 1.00 0.00 H ATOM 1965 HD3 PRO A 126 34.971 24.368 39.132 1.00 0.00 H ATOM 1966 HD2 PRO A 126 34.302 22.992 38.224 1.00 0.00 H ATOM 1967 HG3 PRO A 126 36.289 22.768 36.895 1.00 0.00 H ATOM 1968 HG2 PRO A 126 36.091 24.532 37.013 1.00 0.00 H ATOM 1969 HB2 PRO A 126 37.619 24.685 38.851 1.00 0.00 H ATOM 1970 HB3 PRO A 126 38.395 23.505 37.769 1.00 0.00 H ATOM 1971 N GLU A 127 37.085 23.644 41.609 1.00 58.72 N ATOM 1972 CA GLU A 127 37.453 24.114 42.939 1.00 60.89 C ATOM 1973 C GLU A 127 37.777 22.972 43.907 1.00 60.28 C ATOM 1974 O GLU A 127 38.652 23.103 44.767 1.00 60.23 O ATOM 1975 CB GLU A 127 36.301 24.945 43.515 1.00 63.64 C ATOM 1976 CG GLU A 127 34.934 24.276 43.347 1.00 67.02 C ATOM 1977 CD GLU A 127 33.861 24.867 44.248 1.00 69.58 C ATOM 1978 OE1 GLU A 127 33.658 26.100 44.204 1.00 72.02 O ATOM 1979 OE2 GLU A 127 33.215 24.097 44.999 1.00 69.91 O ATOM 1980 HA GLU A 127 38.357 24.714 42.830 1.00 0.00 H ATOM 1981 HB2 GLU A 127 36.483 25.100 44.578 1.00 0.00 H ATOM 1982 HB3 GLU A 127 36.280 25.909 43.007 1.00 0.00 H ATOM 1983 HG2 GLU A 127 34.617 24.390 42.310 1.00 0.00 H ATOM 1984 HG3 GLU A 127 35.036 23.216 43.579 1.00 0.00 H ATOM 1985 H GLU A 127 36.109 23.800 41.285 1.00 0.00 H ATOM 1986 N GLU A 128 37.062 21.858 43.767 1.00 58.41 N ATOM 1987 CA GLU A 128 37.251 20.703 44.640 1.00 56.30 C ATOM 1988 C GLU A 128 38.420 19.827 44.212 1.00 54.73 C ATOM 1989 O GLU A 128 38.233 18.795 43.567 1.00 53.49 O ATOM 1990 CB GLU A 128 35.974 19.864 44.671 1.00 56.69 C ATOM 1991 CG GLU A 128 34.756 20.588 45.220 1.00 58.10 C ATOM 1992 CD GLU A 128 34.927 20.991 46.666 1.00 59.03 C ATOM 1993 OE1 GLU A 128 35.413 20.156 47.455 1.00 59.77 O ATOM 1994 OE2 GLU A 128 34.564 22.134 47.018 1.00 61.00 O ATOM 1995 HA GLU A 128 37.479 21.089 45.634 1.00 0.00 H ATOM 1996 HB2 GLU A 128 35.751 19.546 43.653 1.00 0.00 H ATOM 1997 HB3 GLU A 128 36.158 18.987 45.292 1.00 0.00 H ATOM 1998 HG2 GLU A 128 34.584 21.485 44.625 1.00 0.00 H ATOM 1999 HG3 GLU A 128 33.891 19.929 45.140 1.00 0.00 H ATOM 2000 H GLU A 128 36.347 21.809 43.013 1.00 0.00 H ATOM 2001 N ALA A 129 39.626 20.231 44.595 1.00 53.92 N ATOM 2002 CA ALA A 129 40.833 19.493 44.239 1.00 53.27 C ATOM 2003 C ALA A 129 40.802 18.019 44.646 1.00 52.60 C ATOM 2004 O ALA A 129 41.264 17.161 43.900 1.00 50.76 O ATOM 2005 CB ALA A 129 42.053 20.177 44.849 1.00 55.18 C ATOM 2006 HA ALA A 129 40.891 19.504 43.151 1.00 0.00 H ATOM 2007 HB1 ALA A 129 42.126 21.195 44.467 1.00 0.00 H ATOM 2008 HB2 ALA A 129 41.950 20.201 45.934 1.00 0.00 H ATOM 2009 HB3 ALA A 129 42.952 19.622 44.580 1.00 0.00 H ATOM 2010 H ALA A 129 39.712 21.097 45.164 1.00 0.00 H ATOM 2011 N LYS A 130 40.261 17.724 45.826 1.00 52.56 N ATOM 2012 CA LYS A 130 40.199 16.345 46.294 1.00 51.40 C ATOM 2013 C LYS A 130 39.417 15.445 45.345 1.00 50.75 C ATOM 2014 O LYS A 130 39.696 14.247 45.242 1.00 50.44 O ATOM 2015 CB LYS A 130 39.581 16.283 47.688 1.00 53.46 C ATOM 2016 CG LYS A 130 40.382 17.012 48.760 1.00 55.43 C ATOM 2017 CD LYS A 130 39.922 16.584 50.148 1.00 57.35 C ATOM 2018 CE LYS A 130 40.704 17.274 51.260 1.00 58.18 C ATOM 2019 NZ LYS A 130 40.383 18.721 51.360 1.00 59.11 N ATOM 2020 HA LYS A 130 41.224 15.976 46.330 1.00 0.00 H ATOM 2021 HB2 LYS A 130 38.587 16.728 47.642 1.00 0.00 H ATOM 2022 HB3 LYS A 130 39.495 15.236 47.978 1.00 0.00 H ATOM 2023 HG2 LYS A 130 41.439 16.775 48.642 1.00 0.00 H ATOM 2024 HG3 LYS A 130 40.237 18.087 48.649 1.00 0.00 H ATOM 2025 HD2 LYS A 130 38.866 16.830 50.258 1.00 0.00 H ATOM 2026 HD3 LYS A 130 40.054 15.506 50.244 1.00 0.00 H ATOM 2027 HE2 LYS A 130 41.770 17.164 51.060 1.00 0.00 H ATOM 2028 HE3 LYS A 130 40.462 16.795 52.209 1.00 0.00 H ATOM 2029 HZ1 LYS A 130 40.617 19.190 50.462 1.00 0.00 H ATOM 2030 HZ2 LYS A 130 39.369 18.837 51.559 1.00 0.00 H ATOM 2031 HZ3 LYS A 130 40.939 19.146 52.129 1.00 0.00 H ATOM 2032 H LYS A 130 39.878 18.486 46.421 1.00 0.00 H ATOM 2033 N ILE A 131 38.433 16.017 44.656 1.00 49.35 N ATOM 2034 CA ILE A 131 37.633 15.245 43.710 1.00 47.59 C ATOM 2035 C ILE A 131 38.524 14.829 42.545 1.00 48.26 C ATOM 2036 O ILE A 131 38.445 13.705 42.050 1.00 44.42 O ATOM 2037 CB ILE A 131 36.438 16.069 43.163 1.00 46.62 C ATOM 2038 CG1 ILE A 131 35.460 16.382 44.298 1.00 45.25 C ATOM 2039 CG2 ILE A 131 35.745 15.301 42.049 1.00 44.73 C ATOM 2040 CD1 ILE A 131 34.190 17.067 43.846 1.00 44.70 C ATOM 2041 HA ILE A 131 37.232 14.374 44.229 1.00 0.00 H ATOM 2042 HB ILE A 131 36.805 17.010 42.754 1.00 0.00 H ATOM 2043 HG12 ILE A 131 35.189 15.445 44.785 1.00 0.00 H ATOM 2044 HG13 ILE A 131 35.963 17.031 45.015 1.00 0.00 H ATOM 2045 HD11 ILE A 131 34.440 18.013 43.366 1.00 0.00 H ATOM 2046 HD12 ILE A 131 33.666 16.426 43.137 1.00 0.00 H ATOM 2047 HD13 ILE A 131 33.552 17.253 44.710 1.00 0.00 H ATOM 2048 HG21 ILE A 131 36.454 15.116 41.242 1.00 0.00 H ATOM 2049 HG22 ILE A 131 35.379 14.351 42.438 1.00 0.00 H ATOM 2050 HG23 ILE A 131 34.907 15.888 41.671 1.00 0.00 H ATOM 2051 H ILE A 131 38.231 17.028 44.793 1.00 0.00 H ATOM 2052 N LYS A 132 39.381 15.746 42.116 1.00 51.19 N ATOM 2053 CA LYS A 132 40.290 15.460 41.017 1.00 55.39 C ATOM 2054 C LYS A 132 41.298 14.392 41.407 1.00 55.88 C ATOM 2055 O LYS A 132 41.544 13.455 40.645 1.00 55.97 O ATOM 2056 CB LYS A 132 41.021 16.730 40.584 1.00 57.88 C ATOM 2057 CG LYS A 132 40.122 17.728 39.882 1.00 61.72 C ATOM 2058 CD LYS A 132 40.927 18.870 39.284 1.00 64.08 C ATOM 2059 CE LYS A 132 40.044 19.744 38.411 1.00 64.06 C ATOM 2060 NZ LYS A 132 40.806 20.870 37.819 1.00 64.62 N ATOM 2061 HA LYS A 132 39.697 15.088 40.181 1.00 0.00 H ATOM 2062 HB2 LYS A 132 41.442 17.206 41.469 1.00 0.00 H ATOM 2063 HB3 LYS A 132 41.827 16.452 39.905 1.00 0.00 H ATOM 2064 HG2 LYS A 132 39.580 17.219 39.085 1.00 0.00 H ATOM 2065 HG3 LYS A 132 39.411 18.133 40.602 1.00 0.00 H ATOM 2066 HD2 LYS A 132 41.346 19.474 40.089 1.00 0.00 H ATOM 2067 HD3 LYS A 132 41.736 18.461 38.680 1.00 0.00 H ATOM 2068 HE2 LYS A 132 39.233 20.146 39.018 1.00 0.00 H ATOM 2069 HE3 LYS A 132 39.628 19.136 37.607 1.00 0.00 H ATOM 2070 HZ1 LYS A 132 41.201 21.458 38.580 1.00 0.00 H ATOM 2071 HZ2 LYS A 132 41.579 20.494 37.233 1.00 0.00 H ATOM 2072 HZ3 LYS A 132 40.171 21.445 37.229 1.00 0.00 H ATOM 2073 H LYS A 132 39.403 16.681 42.571 1.00 0.00 H ATOM 2074 N ASP A 133 41.879 14.531 42.596 1.00 56.49 N ATOM 2075 CA ASP A 133 42.856 13.559 43.061 1.00 56.85 C ATOM 2076 C ASP A 133 42.212 12.180 43.124 1.00 57.08 C ATOM 2077 O ASP A 133 42.818 11.186 42.730 1.00 57.77 O ATOM 2078 CB ASP A 133 43.403 13.952 44.439 1.00 59.07 C ATOM 2079 CG ASP A 133 44.172 15.271 44.416 1.00 61.99 C ATOM 2080 OD1 ASP A 133 44.943 15.508 43.460 1.00 62.14 O ATOM 2081 OD2 ASP A 133 44.014 16.071 45.365 1.00 63.98 O ATOM 2082 HA ASP A 133 43.690 13.537 42.360 1.00 0.00 H ATOM 2083 HB2 ASP A 133 42.567 14.048 45.132 1.00 0.00 H ATOM 2084 HB3 ASP A 133 44.072 13.164 44.786 1.00 0.00 H ATOM 2085 H ASP A 133 41.632 15.342 43.198 1.00 0.00 H ATOM 2086 N ALA A 134 40.976 12.119 43.609 1.00 56.60 N ATOM 2087 CA ALA A 134 40.276 10.845 43.701 1.00 55.92 C ATOM 2088 C ALA A 134 40.133 10.215 42.316 1.00 56.07 C ATOM 2089 O ALA A 134 40.488 9.053 42.110 1.00 55.26 O ATOM 2090 CB ALA A 134 38.906 11.043 44.332 1.00 55.03 C ATOM 2091 HA ALA A 134 40.859 10.172 44.330 1.00 0.00 H ATOM 2092 HB1 ALA A 134 39.025 11.459 45.333 1.00 0.00 H ATOM 2093 HB2 ALA A 134 38.321 11.729 43.719 1.00 0.00 H ATOM 2094 HB3 ALA A 134 38.394 10.083 44.395 1.00 0.00 H ATOM 2095 H ALA A 134 40.504 12.990 43.926 1.00 0.00 H ATOM 2096 N TYR A 135 39.619 10.988 41.366 1.00 56.99 N ATOM 2097 CA TYR A 135 39.425 10.493 40.008 1.00 57.58 C ATOM 2098 C TYR A 135 40.755 10.105 39.366 1.00 59.44 C ATOM 2099 O TYR A 135 40.870 9.041 38.755 1.00 58.98 O ATOM 2100 CB TYR A 135 38.717 11.553 39.152 1.00 55.99 C ATOM 2101 CG TYR A 135 38.438 11.117 37.727 1.00 53.84 C ATOM 2102 CD1 TYR A 135 37.542 10.085 37.453 1.00 53.78 C ATOM 2103 CD2 TYR A 135 39.087 11.725 36.654 1.00 53.10 C ATOM 2104 CE1 TYR A 135 37.301 9.669 36.145 1.00 53.34 C ATOM 2105 CE2 TYR A 135 38.854 11.318 35.348 1.00 52.82 C ATOM 2106 CZ TYR A 135 37.962 10.290 35.100 1.00 52.22 C ATOM 2107 OH TYR A 135 37.743 9.880 33.809 1.00 50.73 O ATOM 2108 HA TYR A 135 38.801 9.601 40.062 1.00 0.00 H ATOM 2109 HB3 TYR A 135 39.346 12.443 39.121 1.00 0.00 H ATOM 2110 HB2 TYR A 135 37.767 11.797 39.627 1.00 0.00 H ATOM 2111 HD2 TYR A 135 39.791 12.535 36.844 1.00 0.00 H ATOM 2112 HE2 TYR A 135 39.371 11.806 34.522 1.00 0.00 H ATOM 2113 HE1 TYR A 135 36.597 8.861 35.947 1.00 0.00 H ATOM 2114 HD1 TYR A 135 37.021 9.595 38.276 1.00 0.00 H ATOM 2115 HH TYR A 135 37.394 10.639 33.278 1.00 0.00 H ATOM 2116 H TYR A 135 39.349 11.966 41.595 1.00 0.00 H ATOM 2117 N HIS A 136 41.757 10.967 39.508 1.00 61.55 N ATOM 2118 CA HIS A 136 43.068 10.694 38.938 1.00 64.54 C ATOM 2119 C HIS A 136 43.644 9.375 39.437 1.00 67.15 C ATOM 2120 O HIS A 136 44.239 8.626 38.664 1.00 66.92 O ATOM 2121 CB HIS A 136 44.031 11.844 39.241 1.00 64.29 C ATOM 2122 CG HIS A 136 43.842 13.036 38.354 1.00 64.55 C ATOM 2123 ND1 HIS A 136 44.563 14.201 38.506 1.00 64.80 N ATOM 2124 CD2 HIS A 136 43.027 13.237 37.291 1.00 64.09 C ATOM 2125 CE1 HIS A 136 44.200 15.067 37.577 1.00 64.92 C ATOM 2126 NE2 HIS A 136 43.269 14.507 36.826 1.00 64.46 N ATOM 2127 HA HIS A 136 42.943 10.608 37.859 1.00 0.00 H ATOM 2128 HB2 HIS A 136 43.881 12.156 40.274 1.00 0.00 H ATOM 2129 HB3 HIS A 136 45.051 11.481 39.117 1.00 0.00 H ATOM 2130 HD2 HIS A 136 42.312 12.524 36.881 1.00 0.00 H ATOM 2131 HE1 HIS A 136 44.601 16.073 37.452 1.00 0.00 H ATOM 2132 H HIS A 136 41.602 11.850 40.035 1.00 0.00 H HETATM 2133 N MSE A 137 43.466 9.081 40.722 1.00 70.47 N HETATM 2134 CA MSE A 137 43.976 7.827 41.258 1.00 73.68 C HETATM 2135 C MSE A 137 43.337 6.660 40.525 1.00 73.60 C HETATM 2136 O MSE A 137 44.034 5.765 40.053 1.00 74.67 O HETATM 2137 CB MSE A 137 43.675 7.676 42.749 1.00 78.34 C HETATM 2138 CG MSE A 137 43.970 6.258 43.243 1.00 84.87 C HETATM 2139 SE MSE A 137 43.329 5.814 45.008 1.00 95.26 S HETATM 2140 CE MSE A 137 44.967 6.103 46.002 1.00 91.99 C HETATM 2141 HE3 MSE A 137 44.792 5.894 47.057 1.00 0.00 H HETATM 2142 HE2 MSE A 137 45.284 7.139 45.884 1.00 0.00 H HETATM 2143 HE1 MSE A 137 45.743 5.438 45.622 1.00 0.00 H HETATM 2144 HG2 MSE A 137 43.516 5.560 42.540 1.00 0.00 H HETATM 2145 HG1 MSE A 137 45.052 6.123 43.239 1.00 0.00 H HETATM 2146 HB2 MSE A 137 42.622 7.899 42.922 1.00 0.00 H HETATM 2147 HB1 MSE A 137 44.291 8.381 43.308 1.00 0.00 H HETATM 2148 HA MSE A 137 45.057 7.833 41.119 1.00 0.00 H HETATM 2149 H MSE A 137 42.963 9.746 41.343 1.00 0.00 H ATOM 2150 N LEU A 138 42.007 6.674 40.442 1.00 72.17 N ATOM 2151 CA LEU A 138 41.264 5.607 39.777 1.00 71.06 C ATOM 2152 C LEU A 138 41.857 5.238 38.423 1.00 70.57 C ATOM 2153 O LEU A 138 41.820 4.076 38.018 1.00 70.14 O ATOM 2154 CB LEU A 138 39.799 6.007 39.587 1.00 70.74 C ATOM 2155 CG LEU A 138 38.927 6.182 40.828 1.00 69.46 C ATOM 2156 CD1 LEU A 138 37.507 6.484 40.388 1.00 68.84 C ATOM 2157 CD2 LEU A 138 38.961 4.921 41.673 1.00 69.12 C ATOM 2158 HA LEU A 138 41.333 4.734 40.426 1.00 0.00 H ATOM 2159 HB2 LEU A 138 39.791 6.956 39.051 1.00 0.00 H ATOM 2160 HB3 LEU A 138 39.332 5.239 38.971 1.00 0.00 H ATOM 2161 HG LEU A 138 39.306 7.007 41.432 1.00 0.00 H ATOM 2162 HD21 LEU A 138 38.585 4.082 41.087 1.00 0.00 H ATOM 2163 HD22 LEU A 138 39.987 4.720 41.982 1.00 0.00 H ATOM 2164 HD23 LEU A 138 38.335 5.059 42.555 1.00 0.00 H ATOM 2165 HD11 LEU A 138 37.498 7.400 39.797 1.00 0.00 H ATOM 2166 HD12 LEU A 138 37.131 5.657 39.785 1.00 0.00 H ATOM 2167 HD13 LEU A 138 36.875 6.611 41.267 1.00 0.00 H ATOM 2168 H LEU A 138 41.483 7.468 40.863 1.00 0.00 H ATOM 2169 N LYS A 139 42.398 6.231 37.726 1.00 69.59 N ATOM 2170 CA LYS A 139 42.993 6.000 36.420 1.00 70.61 C ATOM 2171 C LYS A 139 44.398 5.429 36.610 1.00 71.09 C ATOM 2172 O LYS A 139 44.734 4.368 36.081 1.00 70.39 O ATOM 2173 CB LYS A 139 43.051 7.316 35.640 1.00 70.52 C ATOM 2174 CG LYS A 139 41.728 8.069 35.627 1.00 71.63 C ATOM 2175 CD LYS A 139 41.834 9.397 34.894 1.00 72.36 C ATOM 2176 CE LYS A 139 41.885 9.198 33.395 1.00 73.03 C ATOM 2177 NZ LYS A 139 40.651 8.517 32.920 1.00 75.12 N ATOM 2178 HA LYS A 139 42.390 5.290 35.855 1.00 0.00 H ATOM 2179 HB2 LYS A 139 43.808 7.955 36.095 1.00 0.00 H ATOM 2180 HB3 LYS A 139 43.334 7.096 34.611 1.00 0.00 H ATOM 2181 HG2 LYS A 139 40.977 7.453 35.132 1.00 0.00 H ATOM 2182 HG3 LYS A 139 41.421 8.258 36.655 1.00 0.00 H ATOM 2183 HD2 LYS A 139 40.967 10.009 35.141 1.00 0.00 H ATOM 2184 HD3 LYS A 139 42.742 9.908 35.215 1.00 0.00 H ATOM 2185 HE2 LYS A 139 42.752 8.588 33.143 1.00 0.00 H ATOM 2186 HE3 LYS A 139 41.971 10.169 32.906 1.00 0.00 H ATOM 2187 HZ1 LYS A 139 40.568 7.589 33.383 1.00 0.00 H ATOM 2188 HZ2 LYS A 139 39.822 9.099 33.157 1.00 0.00 H ATOM 2189 HZ3 LYS A 139 40.702 8.388 31.889 1.00 0.00 H ATOM 2190 H LYS A 139 42.396 7.192 38.122 1.00 0.00 H ATOM 2191 N ARG A 140 45.208 6.145 37.380 1.00 71.92 N ATOM 2192 CA ARG A 140 46.577 5.737 37.676 1.00 72.46 C ATOM 2193 C ARG A 140 46.601 4.295 38.188 1.00 72.02 C ATOM 2194 O ARG A 140 47.623 3.618 38.109 1.00 72.26 O ATOM 2195 CB ARG A 140 47.158 6.681 38.733 1.00 72.69 C ATOM 2196 CG ARG A 140 48.599 6.427 39.145 1.00 73.39 C ATOM 2197 CD ARG A 140 48.863 7.126 40.472 1.00 73.65 C ATOM 2198 NE ARG A 140 48.054 6.530 41.536 1.00 74.31 N ATOM 2199 CZ ARG A 140 47.562 7.193 42.579 1.00 73.56 C ATOM 2200 NH1 ARG A 140 47.776 8.498 42.706 1.00 72.97 N ATOM 2201 NH2 ARG A 140 46.842 6.550 43.489 1.00 71.72 N ATOM 2202 HA ARG A 140 47.178 5.788 36.768 1.00 0.00 H ATOM 2203 HB2 ARG A 140 47.099 7.696 38.340 1.00 0.00 H ATOM 2204 HB3 ARG A 140 46.538 6.601 39.626 1.00 0.00 H ATOM 2205 HG2 ARG A 140 48.765 5.355 39.256 1.00 0.00 H ATOM 2206 HG3 ARG A 140 49.272 6.820 38.384 1.00 0.00 H ATOM 2207 HD2 ARG A 140 48.610 8.182 40.378 1.00 0.00 H ATOM 2208 HD3 ARG A 140 49.918 7.028 40.726 1.00 0.00 H ATOM 2209 HE ARG A 140 47.848 5.513 41.472 1.00 0.00 H ATOM 2210 HH12 ARG A 140 47.389 9.011 43.524 1.00 0.00 H ATOM 2211 HH11 ARG A 140 48.331 9.006 41.988 1.00 0.00 H ATOM 2212 HH22 ARG A 140 46.456 7.065 44.306 1.00 0.00 H ATOM 2213 HH21 ARG A 140 46.664 5.531 43.386 1.00 0.00 H ATOM 2214 H ARG A 140 44.852 7.033 37.789 1.00 0.00 H ATOM 2215 N GLN A 141 45.463 3.836 38.703 1.00 72.03 N ATOM 2216 CA GLN A 141 45.335 2.487 39.247 1.00 72.71 C ATOM 2217 C GLN A 141 44.647 1.523 38.279 1.00 72.12 C ATOM 2218 O GLN A 141 44.336 0.387 38.641 1.00 72.90 O ATOM 2219 CB GLN A 141 44.544 2.526 40.561 1.00 74.99 C ATOM 2220 CG GLN A 141 45.126 3.448 41.632 1.00 77.71 C ATOM 2221 CD GLN A 141 46.376 2.887 42.295 1.00 79.76 C ATOM 2222 OE1 GLN A 141 47.378 2.600 41.632 1.00 80.13 O ATOM 2223 NE2 GLN A 141 46.323 2.733 43.615 1.00 79.96 N ATOM 2224 HA GLN A 141 46.347 2.119 39.419 1.00 0.00 H ATOM 2225 HB2 GLN A 141 43.531 2.862 40.338 1.00 0.00 H ATOM 2226 HB3 GLN A 141 44.509 1.515 40.966 1.00 0.00 H ATOM 2227 HG2 GLN A 141 45.378 4.402 41.168 1.00 0.00 H ATOM 2228 HG3 GLN A 141 44.369 3.608 42.400 1.00 0.00 H ATOM 2229 HE22 GLN A 141 45.458 2.988 44.134 1.00 0.00 H ATOM 2230 HE21 GLN A 141 47.146 2.358 44.128 1.00 0.00 H ATOM 2231 H GLN A 141 44.633 4.462 38.719 1.00 0.00 H ATOM 2232 N GLY A 142 44.399 1.980 37.056 1.00 70.88 N ATOM 2233 CA GLY A 142 43.756 1.133 36.066 1.00 68.67 C ATOM 2234 C GLY A 142 42.275 0.869 36.281 1.00 67.60 C ATOM 2235 O GLY A 142 41.675 0.081 35.549 1.00 67.24 O ATOM 2236 HA3 GLY A 142 44.270 0.172 36.064 1.00 0.00 H ATOM 2237 HA2 GLY A 142 43.873 1.609 35.092 1.00 0.00 H ATOM 2238 H GLY A 142 44.668 2.953 36.805 1.00 0.00 H ATOM 2239 N ILE A 143 41.682 1.515 37.281 1.00 66.68 N ATOM 2240 CA ILE A 143 40.260 1.340 37.565 1.00 65.40 C ATOM 2241 C ILE A 143 39.455 1.943 36.418 1.00 64.06 C ATOM 2242 O ILE A 143 38.412 1.415 36.024 1.00 63.50 O ATOM 2243 CB ILE A 143 39.874 2.019 38.899 1.00 66.56 C ATOM 2244 CG1 ILE A 143 40.562 1.289 40.058 1.00 66.56 C ATOM 2245 CG2 ILE A 143 38.358 2.021 39.074 1.00 67.61 C ATOM 2246 CD1 ILE A 143 40.296 1.886 41.422 1.00 67.76 C ATOM 2247 HA ILE A 143 40.041 0.276 37.658 1.00 0.00 H ATOM 2248 HB ILE A 143 40.209 3.056 38.890 1.00 0.00 H ATOM 2249 HG12 ILE A 143 40.214 0.256 40.064 1.00 0.00 H ATOM 2250 HG13 ILE A 143 41.638 1.308 39.882 1.00 0.00 H ATOM 2251 HD11 ILE A 143 40.650 2.917 41.441 1.00 0.00 H ATOM 2252 HD12 ILE A 143 39.225 1.864 41.624 1.00 0.00 H ATOM 2253 HD13 ILE A 143 40.822 1.306 42.180 1.00 0.00 H ATOM 2254 HG21 ILE A 143 37.899 2.568 38.250 1.00 0.00 H ATOM 2255 HG22 ILE A 143 37.993 0.994 39.078 1.00 0.00 H ATOM 2256 HG23 ILE A 143 38.103 2.503 40.018 1.00 0.00 H ATOM 2257 H ILE A 143 42.243 2.159 37.874 1.00 0.00 H ATOM 2258 N VAL A 144 39.957 3.053 35.889 1.00 62.60 N ATOM 2259 CA VAL A 144 39.329 3.733 34.765 1.00 62.15 C ATOM 2260 C VAL A 144 40.343 3.731 33.623 1.00 62.48 C ATOM 2261 O VAL A 144 41.414 4.330 33.735 1.00 62.34 O ATOM 2262 CB VAL A 144 38.966 5.198 35.113 1.00 62.27 C ATOM 2263 CG1 VAL A 144 38.325 5.877 33.912 1.00 60.96 C ATOM 2264 CG2 VAL A 144 38.024 5.237 36.305 1.00 61.48 C ATOM 2265 HA VAL A 144 38.405 3.220 34.498 1.00 0.00 H ATOM 2266 HB VAL A 144 39.879 5.734 35.373 1.00 0.00 H ATOM 2267 HG11 VAL A 144 39.024 5.870 33.076 1.00 0.00 H ATOM 2268 HG12 VAL A 144 37.419 5.340 33.633 1.00 0.00 H ATOM 2269 HG13 VAL A 144 38.074 6.906 34.169 1.00 0.00 H ATOM 2270 HG21 VAL A 144 37.112 4.691 36.064 1.00 0.00 H ATOM 2271 HG22 VAL A 144 38.509 4.775 37.165 1.00 0.00 H ATOM 2272 HG23 VAL A 144 37.778 6.273 36.538 1.00 0.00 H ATOM 2273 H VAL A 144 40.830 3.451 36.292 1.00 0.00 H ATOM 2274 N GLN A 145 40.009 3.052 32.528 1.00 63.39 N ATOM 2275 CA GLN A 145 40.905 2.973 31.374 1.00 63.22 C ATOM 2276 C GLN A 145 41.006 4.291 30.603 1.00 61.59 C ATOM 2277 O GLN A 145 42.043 4.600 30.021 1.00 62.31 O ATOM 2278 CB GLN A 145 40.451 1.855 30.432 1.00 65.57 C ATOM 2279 CG GLN A 145 40.571 0.454 31.025 1.00 70.62 C ATOM 2280 CD GLN A 145 40.242 -0.642 30.020 1.00 73.10 C ATOM 2281 OE1 GLN A 145 40.828 -0.704 28.934 1.00 75.16 O ATOM 2282 NE2 GLN A 145 39.305 -1.517 30.380 1.00 73.02 N ATOM 2283 HA GLN A 145 41.899 2.755 31.764 1.00 0.00 H ATOM 2284 HB2 GLN A 145 39.407 2.029 30.172 1.00 0.00 H ATOM 2285 HB3 GLN A 145 41.061 1.899 29.530 1.00 0.00 H ATOM 2286 HG2 GLN A 145 41.593 0.310 31.376 1.00 0.00 H ATOM 2287 HG3 GLN A 145 39.884 0.372 31.868 1.00 0.00 H ATOM 2288 HE22 GLN A 145 38.837 -1.427 31.304 1.00 0.00 H ATOM 2289 HE21 GLN A 145 39.041 -2.290 29.737 1.00 0.00 H ATOM 2290 H GLN A 145 39.090 2.566 32.492 1.00 0.00 H ATOM 2291 N SER A 146 39.928 5.066 30.600 1.00 59.10 N ATOM 2292 CA SER A 146 39.911 6.347 29.904 1.00 57.56 C ATOM 2293 C SER A 146 38.675 7.147 30.292 1.00 55.98 C ATOM 2294 O SER A 146 37.725 6.604 30.854 1.00 55.43 O ATOM 2295 CB SER A 146 39.935 6.131 28.390 1.00 56.84 C ATOM 2296 OG SER A 146 38.816 5.376 27.968 1.00 56.71 O ATOM 2297 HA SER A 146 40.799 6.907 30.196 1.00 0.00 H ATOM 2298 HB2 SER A 146 40.847 5.599 28.120 1.00 0.00 H ATOM 2299 HB3 SER A 146 39.920 7.100 27.891 1.00 0.00 H ATOM 2300 HG SER A 146 38.855 5.251 26.987 1.00 0.00 H ATOM 2301 H SER A 146 39.075 4.752 31.106 1.00 0.00 H ATOM 2302 N ASP A 147 38.695 8.443 30.002 1.00 54.39 N ATOM 2303 CA ASP A 147 37.563 9.294 30.330 1.00 51.86 C ATOM 2304 C ASP A 147 36.329 8.754 29.640 1.00 49.59 C ATOM 2305 O ASP A 147 36.330 8.526 28.434 1.00 50.44 O ATOM 2306 CB ASP A 147 37.827 10.730 29.884 1.00 52.53 C ATOM 2307 CG ASP A 147 38.979 11.359 30.626 1.00 51.47 C ATOM 2308 OD1 ASP A 147 39.000 11.258 31.871 1.00 52.50 O ATOM 2309 OD2 ASP A 147 39.856 11.956 29.972 1.00 52.64 O ATOM 2310 HA ASP A 147 37.412 9.296 31.409 1.00 0.00 H ATOM 2311 HB2 ASP A 147 38.055 10.730 28.818 1.00 0.00 H ATOM 2312 HB3 ASP A 147 36.930 11.323 30.062 1.00 0.00 H ATOM 2313 H ASP A 147 39.529 8.853 29.535 1.00 0.00 H ATOM 2314 N PRO A 148 35.253 8.532 30.404 1.00 46.94 N ATOM 2315 CA PRO A 148 34.013 8.007 29.832 1.00 44.70 C ATOM 2316 C PRO A 148 33.179 9.104 29.192 1.00 42.25 C ATOM 2317 O PRO A 148 33.344 10.282 29.503 1.00 40.28 O ATOM 2318 CB PRO A 148 33.309 7.423 31.048 1.00 45.13 C ATOM 2319 CG PRO A 148 33.640 8.448 32.104 1.00 43.59 C ATOM 2320 CD PRO A 148 35.125 8.709 31.863 1.00 46.04 C ATOM 2321 HA PRO A 148 34.183 7.284 29.034 1.00 0.00 H ATOM 2322 HD3 PRO A 148 35.400 9.720 32.162 1.00 0.00 H ATOM 2323 HD2 PRO A 148 35.743 7.991 32.402 1.00 0.00 H ATOM 2324 HG3 PRO A 148 33.467 8.052 33.105 1.00 0.00 H ATOM 2325 HG2 PRO A 148 33.054 9.357 31.968 1.00 0.00 H ATOM 2326 HB2 PRO A 148 32.233 7.347 30.888 1.00 0.00 H ATOM 2327 HB3 PRO A 148 33.707 6.441 31.306 1.00 0.00 H ATOM 2328 N PRO A 149 32.288 8.731 28.266 1.00 40.60 N ATOM 2329 CA PRO A 149 31.443 9.747 27.633 1.00 39.66 C ATOM 2330 C PRO A 149 30.368 10.048 28.675 1.00 40.01 C ATOM 2331 O PRO A 149 30.052 9.183 29.490 1.00 39.77 O ATOM 2332 CB PRO A 149 30.881 9.020 26.416 1.00 39.82 C ATOM 2333 CG PRO A 149 30.777 7.590 26.913 1.00 41.48 C ATOM 2334 CD PRO A 149 32.102 7.412 27.635 1.00 39.25 C ATOM 2335 HA PRO A 149 31.918 10.680 27.330 1.00 0.00 H ATOM 2336 HD3 PRO A 149 32.043 6.620 28.382 1.00 0.00 H ATOM 2337 HD2 PRO A 149 32.908 7.190 26.935 1.00 0.00 H ATOM 2338 HG3 PRO A 149 30.679 6.888 26.085 1.00 0.00 H ATOM 2339 HG2 PRO A 149 29.935 7.467 27.594 1.00 0.00 H ATOM 2340 HB2 PRO A 149 29.903 9.413 26.137 1.00 0.00 H ATOM 2341 HB3 PRO A 149 31.557 9.094 25.564 1.00 0.00 H ATOM 2342 N ILE A 150 29.825 11.259 28.683 1.00 38.17 N ATOM 2343 CA ILE A 150 28.792 11.571 29.659 1.00 37.41 C ATOM 2344 C ILE A 150 27.618 12.282 29.010 1.00 35.95 C ATOM 2345 O ILE A 150 27.757 12.866 27.935 1.00 35.71 O ATOM 2346 CB ILE A 150 29.335 12.450 30.807 1.00 37.22 C ATOM 2347 CG1 ILE A 150 29.782 13.809 30.272 1.00 39.47 C ATOM 2348 CG2 ILE A 150 30.481 11.750 31.482 1.00 38.42 C ATOM 2349 CD1 ILE A 150 30.094 14.821 31.364 1.00 39.10 C ATOM 2350 HA ILE A 150 28.458 10.618 30.070 1.00 0.00 H ATOM 2351 HB ILE A 150 28.540 12.614 31.535 1.00 0.00 H ATOM 2352 HG12 ILE A 150 30.679 13.664 29.669 1.00 0.00 H ATOM 2353 HG13 ILE A 150 28.986 14.212 29.646 1.00 0.00 H ATOM 2354 HD11 ILE A 150 29.203 14.986 31.970 1.00 0.00 H ATOM 2355 HD12 ILE A 150 30.897 14.438 31.994 1.00 0.00 H ATOM 2356 HD13 ILE A 150 30.404 15.761 30.908 1.00 0.00 H ATOM 2357 HG21 ILE A 150 30.136 10.798 31.887 1.00 0.00 H ATOM 2358 HG22 ILE A 150 31.274 11.572 30.756 1.00 0.00 H ATOM 2359 HG23 ILE A 150 30.861 12.374 32.291 1.00 0.00 H ATOM 2360 H ILE A 150 30.135 11.978 27.998 1.00 0.00 H ATOM 2361 N PRO A 151 26.439 12.225 29.651 1.00 35.16 N ATOM 2362 CA PRO A 151 25.246 12.880 29.108 1.00 33.97 C ATOM 2363 C PRO A 151 25.518 14.370 28.976 1.00 34.68 C ATOM 2364 O PRO A 151 26.207 14.955 29.807 1.00 34.30 O ATOM 2365 CB PRO A 151 24.174 12.573 30.154 1.00 34.85 C ATOM 2366 CG PRO A 151 24.622 11.251 30.737 1.00 33.30 C ATOM 2367 CD PRO A 151 26.115 11.465 30.876 1.00 35.75 C ATOM 2368 HA PRO A 151 24.947 12.540 28.117 1.00 0.00 H ATOM 2369 HD3 PRO A 151 26.350 12.040 31.772 1.00 0.00 H ATOM 2370 HD2 PRO A 151 26.649 10.515 30.905 1.00 0.00 H ATOM 2371 HG3 PRO A 151 24.400 10.424 30.063 1.00 0.00 H ATOM 2372 HG2 PRO A 151 24.155 11.065 31.704 1.00 0.00 H ATOM 2373 HB2 PRO A 151 24.143 13.347 30.920 1.00 0.00 H ATOM 2374 HB3 PRO A 151 23.191 12.483 29.691 1.00 0.00 H ATOM 2375 N VAL A 152 24.989 14.981 27.926 1.00 36.12 N ATOM 2376 CA VAL A 152 25.205 16.400 27.717 1.00 37.79 C ATOM 2377 C VAL A 152 24.478 17.242 28.766 1.00 39.50 C ATOM 2378 O VAL A 152 23.273 17.096 28.981 1.00 39.02 O ATOM 2379 CB VAL A 152 24.746 16.837 26.310 1.00 38.28 C ATOM 2380 CG1 VAL A 152 24.828 18.355 26.178 1.00 40.40 C ATOM 2381 CG2 VAL A 152 25.631 16.182 25.253 1.00 38.74 C ATOM 2382 HA VAL A 152 26.278 16.568 27.812 1.00 0.00 H ATOM 2383 HB VAL A 152 23.713 16.523 26.163 1.00 0.00 H ATOM 2384 HG11 VAL A 152 24.183 18.819 26.925 1.00 0.00 H ATOM 2385 HG12 VAL A 152 25.858 18.677 26.335 1.00 0.00 H ATOM 2386 HG13 VAL A 152 24.501 18.650 25.181 1.00 0.00 H ATOM 2387 HG21 VAL A 152 26.666 16.488 25.407 1.00 0.00 H ATOM 2388 HG22 VAL A 152 25.555 15.098 25.338 1.00 0.00 H ATOM 2389 HG23 VAL A 152 25.302 16.494 24.262 1.00 0.00 H ATOM 2390 H VAL A 152 24.416 14.440 27.248 1.00 0.00 H ATOM 2391 N ASP A 153 25.237 18.106 29.430 1.00 38.89 N ATOM 2392 CA ASP A 153 24.693 19.009 30.433 1.00 40.02 C ATOM 2393 C ASP A 153 25.554 20.261 30.374 1.00 39.23 C ATOM 2394 O ASP A 153 26.644 20.305 30.941 1.00 38.65 O ATOM 2395 CB ASP A 153 24.750 18.377 31.826 1.00 39.63 C ATOM 2396 CG ASP A 153 24.185 19.291 32.905 1.00 42.24 C ATOM 2397 OD1 ASP A 153 23.997 20.506 32.643 1.00 38.32 O ATOM 2398 OD2 ASP A 153 23.936 18.789 34.022 1.00 42.39 O ATOM 2399 HA ASP A 153 23.645 19.234 30.238 1.00 0.00 H ATOM 2400 HB2 ASP A 153 24.174 17.452 31.814 1.00 0.00 H ATOM 2401 HB3 ASP A 153 25.789 18.153 32.066 1.00 0.00 H ATOM 2402 H ASP A 153 26.256 18.138 29.226 1.00 0.00 H ATOM 2403 N ARG A 154 25.055 21.271 29.671 1.00 38.76 N ATOM 2404 CA ARG A 154 25.775 22.521 29.495 1.00 40.31 C ATOM 2405 C ARG A 154 26.038 23.327 30.764 1.00 41.49 C ATOM 2406 O ARG A 154 26.790 24.299 30.716 1.00 42.03 O ATOM 2407 CB ARG A 154 25.050 23.394 28.469 1.00 38.85 C ATOM 2408 CG ARG A 154 25.098 22.839 27.066 1.00 41.88 C ATOM 2409 CD ARG A 154 24.012 23.451 26.206 1.00 42.65 C ATOM 2410 NE ARG A 154 23.927 22.818 24.894 1.00 44.88 N ATOM 2411 CZ ARG A 154 24.769 23.047 23.890 1.00 43.05 C ATOM 2412 NH1 ARG A 154 25.770 23.903 24.038 1.00 40.01 N ATOM 2413 NH2 ARG A 154 24.606 22.417 22.734 1.00 41.60 N ATOM 2414 HA ARG A 154 26.764 22.225 29.145 1.00 0.00 H ATOM 2415 HB2 ARG A 154 24.006 23.485 28.769 1.00 0.00 H ATOM 2416 HB3 ARG A 154 25.513 24.381 28.466 1.00 0.00 H ATOM 2417 HG2 ARG A 154 26.070 23.062 26.626 1.00 0.00 H ATOM 2418 HG3 ARG A 154 24.957 21.759 27.104 1.00 0.00 H ATOM 2419 HD2 ARG A 154 24.226 24.511 26.072 1.00 0.00 H ATOM 2420 HD3 ARG A 154 23.055 23.336 26.714 1.00 0.00 H ATOM 2421 HE ARG A 154 23.154 22.141 24.733 1.00 0.00 H ATOM 2422 HH12 ARG A 154 26.425 24.078 23.250 1.00 0.00 H ATOM 2423 HH11 ARG A 154 25.900 24.400 24.942 1.00 0.00 H ATOM 2424 HH22 ARG A 154 25.263 22.595 21.948 1.00 0.00 H ATOM 2425 HH21 ARG A 154 23.821 21.745 22.614 1.00 0.00 H ATOM 2426 H ARG A 154 24.118 21.164 29.232 1.00 0.00 H ATOM 2427 N THR A 155 25.430 22.947 31.888 1.00 43.93 N ATOM 2428 CA THR A 155 25.677 23.678 33.138 1.00 46.47 C ATOM 2429 C THR A 155 26.994 23.205 33.755 1.00 49.93 C ATOM 2430 O THR A 155 27.488 23.804 34.711 1.00 50.95 O ATOM 2431 CB THR A 155 24.556 23.488 34.207 1.00 43.23 C ATOM 2432 OG1 THR A 155 24.555 22.137 34.675 1.00 43.48 O ATOM 2433 CG2 THR A 155 23.186 23.836 33.639 1.00 42.03 C ATOM 2434 HA THR A 155 25.706 24.734 32.868 1.00 0.00 H ATOM 2435 HB THR A 155 24.762 24.164 35.037 1.00 0.00 H ATOM 2436 HG1 THR A 155 24.389 21.526 33.914 1.00 0.00 H ATOM 2437 HG23 THR A 155 23.192 24.867 33.284 1.00 0.00 H ATOM 2438 HG21 THR A 155 22.957 23.166 32.810 1.00 0.00 H ATOM 2439 HG22 THR A 155 22.432 23.723 34.418 1.00 0.00 H ATOM 2440 H THR A 155 24.782 22.134 31.880 1.00 0.00 H ATOM 2441 N LEU A 156 27.561 22.129 33.212 1.00 52.10 N ATOM 2442 CA LEU A 156 28.826 21.611 33.725 1.00 55.79 C ATOM 2443 C LEU A 156 29.970 22.562 33.366 1.00 58.38 C ATOM 2444 O LEU A 156 31.111 22.137 33.188 1.00 58.34 O ATOM 2445 CB LEU A 156 29.105 20.218 33.149 1.00 55.74 C ATOM 2446 CG LEU A 156 28.177 19.070 33.570 1.00 56.36 C ATOM 2447 CD1 LEU A 156 28.564 17.803 32.819 1.00 55.52 C ATOM 2448 CD2 LEU A 156 28.271 18.839 35.078 1.00 55.56 C ATOM 2449 HA LEU A 156 28.755 21.535 34.810 1.00 0.00 H ATOM 2450 HB2 LEU A 156 29.051 20.298 32.063 1.00 0.00 H ATOM 2451 HB3 LEU A 156 30.118 19.942 33.442 1.00 0.00 H ATOM 2452 HG LEU A 156 27.148 19.333 33.325 1.00 0.00 H ATOM 2453 HD21 LEU A 156 29.297 18.583 35.342 1.00 0.00 H ATOM 2454 HD22 LEU A 156 27.975 19.748 35.603 1.00 0.00 H ATOM 2455 HD23 LEU A 156 27.607 18.022 35.361 1.00 0.00 H ATOM 2456 HD11 LEU A 156 28.468 17.974 31.747 1.00 0.00 H ATOM 2457 HD12 LEU A 156 29.596 17.543 33.056 1.00 0.00 H ATOM 2458 HD13 LEU A 156 27.904 16.989 33.119 1.00 0.00 H ATOM 2459 H LEU A 156 27.097 21.652 32.413 1.00 0.00 H ATOM 2460 N ILE A 157 29.645 23.853 33.283 1.00 61.50 N ATOM 2461 CA ILE A 157 30.595 24.912 32.936 1.00 62.03 C ATOM 2462 C ILE A 157 31.219 24.642 31.574 1.00 62.90 C ATOM 2463 O ILE A 157 30.533 24.675 30.554 1.00 64.08 O ATOM 2464 CB ILE A 157 31.741 25.044 33.967 1.00 62.57 C ATOM 2465 CG1 ILE A 157 31.182 25.209 35.376 1.00 61.92 C ATOM 2466 CG2 ILE A 157 32.594 26.266 33.631 1.00 62.97 C ATOM 2467 CD1 ILE A 157 32.261 25.373 36.432 1.00 62.39 C ATOM 2468 HA ILE A 157 30.024 25.840 32.926 1.00 0.00 H ATOM 2469 HB ILE A 157 32.346 24.138 33.925 1.00 0.00 H ATOM 2470 HG12 ILE A 157 30.542 26.091 35.394 1.00 0.00 H ATOM 2471 HG13 ILE A 157 30.590 24.327 35.620 1.00 0.00 H ATOM 2472 HD11 ILE A 157 32.904 24.492 36.433 1.00 0.00 H ATOM 2473 HD12 ILE A 157 32.856 26.258 36.207 1.00 0.00 H ATOM 2474 HD13 ILE A 157 31.795 25.486 37.411 1.00 0.00 H ATOM 2475 HG21 ILE A 157 33.016 26.150 32.633 1.00 0.00 H ATOM 2476 HG22 ILE A 157 31.973 27.161 33.662 1.00 0.00 H ATOM 2477 HG23 ILE A 157 33.400 26.356 34.359 1.00 0.00 H ATOM 2478 H ILE A 157 28.659 24.123 33.476 1.00 0.00 H TER 2479 ILE A 157 HETATM 2480 N ASP A 1 39.315 15.984 58.223 1.00 0.24 N HETATM 2481 CA ASP A 1 39.348 15.104 57.056 1.00 0.08 C HETATM 2482 C ASP A 1 40.632 14.283 57.074 1.00 0.23 C HETATM 2483 O ASP A 1 41.623 14.683 57.691 1.00 -0.39 O HETATM 2484 N ASP A 1 40.611 13.140 56.393 1.00 -0.26 N HETATM 2485 CA ASP A 1 41.777 12.267 56.330 1.00 0.14 C HETATM 2486 C ASP A 1 42.417 12.248 54.945 1.00 0.21 C HETATM 2487 O ASP A 1 42.231 13.171 54.148 1.00 -0.39 O HETATM 2488 N ASP A 1 43.173 11.188 54.671 1.00 -0.26 N HETATM 2489 CA ASP A 1 43.862 11.033 53.395 1.00 0.14 C HETATM 2490 C ASP A 1 43.112 10.099 52.454 1.00 0.21 C HETATM 2491 O ASP A 1 42.194 9.388 52.864 1.00 -0.39 O HETATM 2492 N ASP A 1 43.519 10.106 51.187 1.00 -0.26 N HETATM 2493 CA ASP A 1 42.906 9.258 50.169 1.00 0.13 C HETATM 2494 C ASP A 1 43.333 7.806 50.389 1.00 0.20 C HETATM 2495 O ASP A 1 44.469 7.545 50.795 1.00 -0.39 O HETATM 2496 N ASP A 1 42.422 6.869 50.122 1.00 -0.27 N HETATM 2497 CA ASP A 1 42.692 5.440 50.297 1.00 0.11 C HETATM 2498 C ASP A 1 44.080 5.010 49.844 1.00 0.12 C HETATM 2499 O ASP A 1 44.769 5.823 49.195 1.00 -0.37 O HETATM 2500 H31 ASP A 1 44.462 4.018 50.080 1.00 0.14 H HETATM 2501 CB ASP A 1 41.656 4.603 49.543 1.00 -0.01 C HETATM 2502 CG ASP A 1 40.297 4.397 50.205 1.00 -0.04 C HETATM 2503 CD1 ASP A 1 39.417 3.550 49.292 1.00 -0.06 C HETATM 2504 H35 ASP A 1 38.436 3.399 49.766 1.00 0.02 H HETATM 2505 H36 ASP A 1 39.896 2.575 49.122 1.00 0.02 H HETATM 2506 H37 ASP A 1 39.284 4.066 48.329 1.00 0.02 H HETATM 2507 CD2 ASP A 1 40.487 3.713 51.556 1.00 -0.06 C HETATM 2508 H38 ASP A 1 41.124 4.340 52.198 1.00 0.02 H HETATM 2509 H39 ASP A 1 40.967 2.734 51.407 1.00 0.02 H HETATM 2510 H40 ASP A 1 39.508 3.572 52.037 1.00 0.02 H HETATM 2511 H34 ASP A 1 39.817 5.374 50.362 1.00 0.03 H HETATM 2512 H32 ASP A 1 42.095 3.608 49.376 1.00 0.03 H HETATM 2513 H33 ASP A 1 41.479 5.093 48.574 1.00 0.03 H HETATM 2514 H30 ASP A 1 42.605 5.218 51.371 1.00 0.08 H HETATM 2515 H29 ASP A 1 41.522 7.152 49.790 1.00 0.19 H HETATM 2516 CB ASP A 1 43.337 9.732 48.777 1.00 -0.01 C HETATM 2517 CG ASP A 1 42.793 8.971 47.567 1.00 -0.04 C HETATM 2518 CD1 ASP A 1 41.274 8.974 47.595 1.00 -0.06 C HETATM 2519 H23 ASP A 1 40.890 8.425 46.722 1.00 0.02 H HETATM 2520 H24 ASP A 1 40.909 10.011 47.566 1.00 0.02 H HETATM 2521 H25 ASP A 1 40.923 8.488 48.517 1.00 0.02 H HETATM 2522 CD2 ASP A 1 43.316 9.612 46.286 1.00 -0.06 C HETATM 2523 H26 ASP A 1 44.416 9.597 46.291 1.00 0.02 H HETATM 2524 H27 ASP A 1 42.964 10.652 46.226 1.00 0.02 H HETATM 2525 H28 ASP A 1 42.946 9.049 45.417 1.00 0.02 H HETATM 2526 H22 ASP A 1 43.145 7.930 47.611 1.00 0.03 H HETATM 2527 H20 ASP A 1 44.435 9.674 48.735 1.00 0.03 H HETATM 2528 H21 ASP A 1 43.021 10.781 48.675 1.00 0.03 H HETATM 2529 H19 ASP A 1 41.811 9.328 50.250 1.00 0.08 H HETATM 2530 H18 ASP A 1 44.270 10.712 50.924 1.00 0.19 H HETATM 2531 CB ASP A 1 45.272 10.484 53.627 1.00 0.04 C HETATM 2532 CG ASP A 1 46.109 11.329 54.536 1.00 0.06 C HETATM 2533 ND1 ASP A 1 46.412 12.646 54.261 1.00 -0.26 N HETATM 2534 CE1 ASP A 1 47.161 13.136 55.233 1.00 0.09 C HETATM 2535 NE2 ASP A 1 47.355 12.185 56.129 1.00 -0.34 N HETATM 2536 CD2 ASP A 1 46.708 11.044 55.717 1.00 -0.03 C HETATM 2537 H16 ASP A 1 46.682 10.090 56.242 1.00 0.03 H HETATM 2538 H17 ASP A 1 47.552 14.151 55.286 1.00 0.11 H HETATM 2539 H15 ASP A 1 46.103 13.166 53.428 1.00 0.24 H HETATM 2540 H13 ASP A 1 45.781 10.413 52.654 1.00 0.05 H HETATM 2541 H14 ASP A 1 45.185 9.481 54.069 1.00 0.05 H HETATM 2542 H12 ASP A 1 43.938 12.022 52.919 1.00 0.08 H HETATM 2543 H11 ASP A 1 43.272 10.473 55.364 1.00 0.19 H HETATM 2544 CB ASP A 1 41.395 10.842 56.736 1.00 0.04 C HETATM 2545 CG ASP A 1 40.112 10.377 56.083 1.00 0.04 C HETATM 2546 OD1 ASP A 1 39.026 10.796 56.543 1.00 -0.57 O HETATM 2547 OD2 ASP A 1 40.194 9.602 55.106 1.00 -0.57 O HETATM 2548 H9 ASP A 1 41.267 10.809 57.828 1.00 0.05 H HETATM 2549 H10 ASP A 1 42.207 10.162 56.441 1.00 0.05 H HETATM 2550 H8 ASP A 1 42.522 12.646 57.045 1.00 0.08 H HETATM 2551 H7 ASP A 1 39.775 12.873 55.913 1.00 0.19 H HETATM 2552 CB ASP A 1 39.294 15.927 55.761 1.00 0.06 C HETATM 2553 CG ASP A 1 39.029 15.073 54.531 1.00 0.04 C HETATM 2554 OD1 ASP A 1 38.568 13.922 54.685 1.00 -0.57 O HETATM 2555 OD2 ASP A 1 39.269 15.559 53.406 1.00 -0.57 O HETATM 2556 H5 ASP A 1 40.258 16.441 55.631 1.00 0.05 H HETATM 2557 H6 ASP A 1 38.490 16.672 55.851 1.00 0.05 H HETATM 2558 H4 ASP A 1 38.481 14.427 57.090 1.00 0.11 H HETATM 2559 H1 ASP A 1 38.466 16.527 58.211 1.00 0.20 H HETATM 2560 H2 ASP A 1 40.110 16.603 58.199 1.00 0.20 H HETATM 2561 H3 ASP A 1 39.347 15.429 59.064 1.00 0.20 H HETATM 2562 O HOH 1 34.793 12.170 27.930 1.00 40.44 O HETATM 2563 O HOH 2 26.993 -0.950 46.017 1.00 48.13 O HETATM 2564 O HOH 3 25.365 26.533 50.117 1.00 46.27 O HETATM 2565 O HOH 4 25.004 16.661 34.853 1.00 50.80 O HETATM 2566 O HOH 5 23.647 22.929 37.204 1.00 43.44 O HETATM 2567 O HOH 6 29.139 15.355 27.061 1.00 47.79 O HETATM 2568 O HOH 7 26.370 15.129 39.450 1.00 37.68 O HETATM 2569 O HOH 8 41.131 13.804 31.410 1.00 57.10 O HETATM 2570 O HOH 9 30.500 18.239 26.024 1.00 51.22 O HETATM 2571 O HOH 10 15.029 23.669 49.015 1.00 44.53 O HETATM 2572 O HOH 11 32.166 28.759 42.320 1.00 54.64 O HETATM 2573 O HOH 12 37.283 18.743 40.952 1.00 48.98 O HETATM 2574 O HOH 13 18.899 -6.400 52.235 1.00 60.55 O HETATM 2575 O HOH 14 25.550 24.921 57.087 1.00 48.13 O HETATM 2576 O HOH 15 29.625 22.435 54.010 1.00 51.66 O HETATM 2577 O HOH 16 26.295 14.578 36.730 1.00 42.37 O HETATM 2578 O HOH 17 37.690 18.760 47.201 1.00 58.18 O HETATM 2579 O HOH 18 24.126 16.731 39.405 1.00 43.32 O HETATM 2580 O HOH 19 25.697 14.933 32.549 1.00 39.51 O HETATM 2581 O HOH 20 23.399 12.002 34.257 1.00 50.77 O HETATM 2582 O HOH 21 16.733 2.312 51.615 1.00 54.54 O HETATM 2583 O HOH 22 45.394 2.935 47.781 1.00 67.56 O CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1052 1043 1053 1068 CONECT 1053 1052 1054 1056 1067 CONECT 1054 1053 1055 1069 CONECT 1055 1054 CONECT 1056 1053 1057 1065 1066 CONECT 1057 1056 1058 1063 1064 CONECT 1058 1057 1059 CONECT 1059 1058 1060 1061 1062 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1059 CONECT 1063 1057 CONECT 1064 1057 CONECT 1065 1056 CONECT 1066 1056 CONECT 1067 1053 CONECT 1068 1052 CONECT 1911 1899 1912 1927 CONECT 1912 1911 1913 1915 1926 CONECT 1913 1912 1914 1928 CONECT 1914 1913 CONECT 1915 1912 1916 1924 1925 CONECT 1916 1915 1917 1922 1923 CONECT 1917 1916 1918 CONECT 1918 1917 1919 1920 1921 CONECT 1919 1918 CONECT 1920 1918 CONECT 1921 1918 CONECT 1922 1916 CONECT 1923 1916 CONECT 1924 1915 CONECT 1925 1915 CONECT 1926 1912 CONECT 1927 1911 CONECT 2133 2119 2134 2149 CONECT 2134 2133 2135 2137 2148 CONECT 2135 2134 2136 2150 CONECT 2136 2135 CONECT 2137 2134 2138 2146 2147 CONECT 2138 2137 2139 2144 2145 CONECT 2139 2138 2140 CONECT 2140 2139 2141 2142 2143 CONECT 2141 2140 CONECT 2142 2140 CONECT 2143 2140 CONECT 2144 2138 CONECT 2145 2138 CONECT 2146 2137 CONECT 2147 2137 CONECT 2148 2134 CONECT 2149 2133 CONECT 2480 2481 2559 2560 2561 CONECT 2481 2480 2482 2552 2558 CONECT 2482 2481 2483 2484 CONECT 2483 2482 CONECT 2484 2482 2485 2551 CONECT 2485 2484 2486 2544 2550 CONECT 2486 2485 2487 2488 CONECT 2487 2486 CONECT 2488 2486 2489 2543 CONECT 2489 2488 2490 2531 2542 CONECT 2490 2489 2491 2492 CONECT 2491 2490 CONECT 2492 2490 2493 2530 CONECT 2493 2492 2494 2516 2529 CONECT 2494 2493 2495 2496 CONECT 2495 2494 CONECT 2496 2494 2497 2515 CONECT 2497 2496 2498 2501 2514 CONECT 2498 2497 2499 2500 CONECT 2499 2498 CONECT 2500 2498 CONECT 2501 2497 2502 2512 2513 CONECT 2502 2501 2503 2507 2511 CONECT 2503 2502 2504 2505 2506 CONECT 2504 2503 CONECT 2505 2503 CONECT 2506 2503 CONECT 2507 2502 2508 2509 2510 CONECT 2508 2507 CONECT 2509 2507 CONECT 2510 2507 CONECT 2511 2502 CONECT 2512 2501 CONECT 2513 2501 CONECT 2514 2497 CONECT 2515 2496 CONECT 2516 2493 2517 2527 2528 CONECT 2517 2516 2518 2522 2526 CONECT 2518 2517 2519 2520 2521 CONECT 2519 2518 CONECT 2520 2518 CONECT 2521 2518 CONECT 2522 2517 2523 2524 2525 CONECT 2523 2522 CONECT 2524 2522 CONECT 2525 2522 CONECT 2526 2517 CONECT 2527 2516 CONECT 2528 2516 CONECT 2529 2493 CONECT 2530 2492 CONECT 2531 2489 2532 2540 2541 CONECT 2532 2531 2533 2536 CONECT 2533 2532 2534 2539 CONECT 2534 2533 2535 2538 CONECT 2535 2534 2536 CONECT 2536 2532 2535 2537 CONECT 2537 2536 CONECT 2538 2534 CONECT 2539 2533 CONECT 2540 2531 CONECT 2541 2531 CONECT 2542 2489 CONECT 2543 2488 CONECT 2544 2485 2545 2548 2549 CONECT 2545 2544 2546 2547 CONECT 2546 2545 CONECT 2547 2545 CONECT 2548 2544 CONECT 2549 2544 CONECT 2550 2485 CONECT 2551 2484 CONECT 2552 2481 2553 2556 2557 CONECT 2553 2552 2554 2555 CONECT 2554 2553 CONECT 2555 2553 CONECT 2556 2552 CONECT 2557 2552 CONECT 2558 2481 CONECT 2559 2480 CONECT 2560 2480 CONECT 2561 2480 MASTER 0 0 0 0 0 0 0 0 2582 1 137 12 END
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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
1juq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
adp-ribosylation factor binding protein gga3
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=56uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Nature v415 pp. 933-7, 2002
Ligand Properties
Formula
C
2
6
H
4
2
N
7
O
9
Molecular Weight
596.653
Exact Mass
596.304
No. of atoms
84
No. of bonds
84
Polar Surface Area
264.39
LOGP Value
-0.52 (
Computed with XLOGP3
)
-0.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 1
Canonical SMILES
O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CC(=O)O)Cc1[nH]cnc1)CC(C)C)CC(C)C
InChI String
InChI=1S/C26H41N7O9/c1-13(2)5-16(11-34)30-24(40)18(6-14(3)4)32-25(41)19(7-15-10-28-12-29-15)33-26(42)20(9-22(37)38)31-23(39)17(27)8-21(35)36/h10-14,16-20H,5-9,27H2,1-4H3,(H,28,29)(H,30,40)(H,31,39)(H,32,41)(H,33,42)(H,35,36)(H,37,38)/p+1/t16-,17-,18-,19-,20-/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):
P20645
Q9NZ52
Entrez Gene ID
NCBI Entrez Gene ID:
4074
23163
ASD
Information of known allosteric effects of PDB entries
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