Browse entries in the PDBbind-CN Database
HEADER 3TL0_COMPLEX COMPND 3TL0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 99 ARG TRP PHE HIS PRO ASN ILE THR GLY VAL GLU ALA GLU SEQRES 2 A 99 ASN LEU LEU LEU THR ARG GLY VAL ASP GLY SER PHE LEU SEQRES 3 A 99 ALA ARG PRO SER LYS SER ASN PRO GLY ASP PHE THR LEU SEQRES 4 A 99 SER VAL ARG ARG ASN GLY ALA VAL THR HIS ILE LYS ILE SEQRES 5 A 99 GLN ASN THR GLY ASP TYR TYR ASP LEU TYR GLY GLY GLU SEQRES 6 A 99 LYS PHE ALA THR LEU ALA GLU LEU VAL GLN TYR TYR MET SEQRES 7 A 99 GLU HIS HIS GLY GLN LEU LYS GLU LYS ASN GLY ASP VAL SEQRES 8 A 99 ILE GLU LEU LYS TYR PRO LEU ASN HET LEU A 123 109 ATOM 1 N ARG A 5 24.158 0.820 30.583 1.00 53.65 N ATOM 2 CA ARG A 5 25.108 1.229 29.526 1.00 50.39 C ATOM 3 C ARG A 5 24.408 1.691 28.181 1.00 47.25 C ATOM 4 O ARG A 5 24.954 1.396 27.092 1.00 47.90 O ATOM 5 CB ARG A 5 26.146 0.136 29.287 1.00 54.48 C ATOM 6 HA ARG A 5 25.620 2.118 29.894 1.00 0.00 H ATOM 7 HB2 ARG A 5 26.698 -0.046 30.209 1.00 0.00 H ATOM 8 HB3 ARG A 5 25.643 -0.780 28.976 1.00 0.00 H ATOM 9 HN3 ARG A 5 23.585 0.022 30.242 1.00 0.00 H ATOM 10 HN2 ARG A 5 23.536 1.620 30.817 1.00 0.00 H ATOM 11 HN1 ARG A 5 24.687 0.532 31.430 1.00 0.00 H ATOM 12 N TRP A 6 23.271 2.437 28.243 1.00 41.25 N ATOM 13 CA TRP A 6 22.693 3.055 27.037 1.00 35.66 C ATOM 14 C TRP A 6 23.650 4.077 26.450 1.00 33.49 C ATOM 15 O TRP A 6 23.339 4.652 25.408 1.00 32.51 O ATOM 16 CB TRP A 6 21.343 3.732 27.322 1.00 33.75 C ATOM 17 CG TRP A 6 21.328 4.481 28.650 1.00 34.83 C ATOM 18 CD1 TRP A 6 20.900 3.978 29.857 1.00 43.40 C ATOM 19 CD2 TRP A 6 21.838 5.788 28.927 1.00 31.70 C ATOM 20 NE1 TRP A 6 21.076 4.900 30.845 1.00 43.43 N ATOM 21 CE2 TRP A 6 21.669 6.016 30.318 1.00 38.02 C ATOM 22 CE3 TRP A 6 22.418 6.783 28.139 1.00 29.53 C ATOM 23 CZ2 TRP A 6 22.048 7.210 30.962 1.00 34.72 C ATOM 24 CZ3 TRP A 6 22.817 8.023 28.788 1.00 29.63 C ATOM 25 CH2 TRP A 6 22.646 8.196 30.177 1.00 34.47 C ATOM 26 HA TRP A 6 22.526 2.250 26.321 1.00 0.00 H ATOM 27 HB2 TRP A 6 21.131 4.439 26.520 1.00 0.00 H ATOM 28 HB3 TRP A 6 20.567 2.967 27.344 1.00 0.00 H ATOM 29 HE1 TRP A 6 20.803 4.776 31.841 1.00 0.00 H ATOM 30 HD1 TRP A 6 20.480 2.983 30.002 1.00 0.00 H ATOM 31 HZ2 TRP A 6 21.881 7.357 32.029 1.00 0.00 H ATOM 32 HH2 TRP A 6 22.988 9.118 30.647 1.00 0.00 H ATOM 33 HZ3 TRP A 6 23.253 8.827 28.194 1.00 0.00 H ATOM 34 HE3 TRP A 6 22.568 6.636 27.069 1.00 0.00 H ATOM 35 H TRP A 6 22.801 2.573 29.161 1.00 0.00 H ATOM 36 N PHE A 7 24.762 4.387 27.138 1.00 33.47 N ATOM 37 CA PHE A 7 25.636 5.486 26.701 1.00 32.62 C ATOM 38 C PHE A 7 26.754 4.901 25.874 1.00 35.80 C ATOM 39 O PHE A 7 27.434 4.056 26.337 1.00 36.62 O ATOM 40 CB PHE A 7 26.173 6.305 27.894 1.00 37.24 C ATOM 41 CG PHE A 7 27.129 7.372 27.475 1.00 41.38 C ATOM 42 CD1 PHE A 7 26.699 8.386 26.601 1.00 45.03 C ATOM 43 CD2 PHE A 7 28.489 7.321 27.873 1.00 46.02 C ATOM 44 CE1 PHE A 7 27.590 9.334 26.135 1.00 51.10 C ATOM 45 CE2 PHE A 7 29.384 8.277 27.449 1.00 48.84 C ATOM 46 CZ PHE A 7 28.952 9.279 26.557 1.00 52.58 C ATOM 47 HA PHE A 7 25.062 6.187 26.095 1.00 0.00 H ATOM 48 HB2 PHE A 7 25.331 6.772 28.405 1.00 0.00 H ATOM 49 HB3 PHE A 7 26.683 5.629 28.580 1.00 0.00 H ATOM 50 HD2 PHE A 7 28.830 6.515 28.523 1.00 0.00 H ATOM 51 HE2 PHE A 7 30.416 8.259 27.799 1.00 0.00 H ATOM 52 HZ PHE A 7 29.663 10.017 26.187 1.00 0.00 H ATOM 53 HE1 PHE A 7 27.256 10.115 25.452 1.00 0.00 H ATOM 54 HD1 PHE A 7 25.655 8.425 26.289 1.00 0.00 H ATOM 55 H PHE A 7 25.007 3.843 27.990 1.00 0.00 H ATOM 56 N HIS A 8 26.863 5.265 24.597 1.00 36.12 N ATOM 57 CA HIS A 8 27.889 4.705 23.722 1.00 40.05 C ATOM 58 C HIS A 8 28.894 5.858 23.340 1.00 43.01 C ATOM 59 O HIS A 8 28.587 6.682 22.465 1.00 43.94 O ATOM 60 CB HIS A 8 27.200 4.136 22.453 1.00 39.17 C ATOM 61 CG HIS A 8 26.362 2.915 22.705 1.00 40.56 C ATOM 62 ND1 HIS A 8 26.675 1.671 22.189 1.00 46.01 N ATOM 63 CD2 HIS A 8 25.241 2.743 23.440 1.00 35.96 C ATOM 64 CE1 HIS A 8 25.757 0.796 22.567 1.00 46.65 C ATOM 65 NE2 HIS A 8 24.885 1.418 23.343 1.00 41.72 N ATOM 66 HA HIS A 8 28.435 3.902 24.216 1.00 0.00 H ATOM 67 HB2 HIS A 8 26.558 4.912 22.035 1.00 0.00 H ATOM 68 HB3 HIS A 8 27.974 3.877 21.730 1.00 0.00 H ATOM 69 HD2 HIS A 8 24.716 3.513 24.006 1.00 0.00 H ATOM 70 HE1 HIS A 8 25.725 -0.257 22.287 1.00 0.00 H ATOM 71 H HIS A 8 26.199 5.967 24.213 1.00 0.00 H ATOM 72 N PRO A 9 30.037 5.951 24.018 1.00 46.11 N ATOM 73 CA PRO A 9 30.912 7.137 23.744 1.00 50.57 C ATOM 74 C PRO A 9 31.613 7.087 22.361 1.00 55.19 C ATOM 75 O PRO A 9 31.963 8.108 21.770 1.00 58.03 O ATOM 76 CB PRO A 9 31.951 7.084 24.874 1.00 51.57 C ATOM 77 CG PRO A 9 31.964 5.632 25.386 1.00 51.35 C ATOM 78 CD PRO A 9 30.548 5.067 25.088 1.00 46.80 C ATOM 79 HA PRO A 9 30.328 8.057 23.715 1.00 0.00 H ATOM 80 HD3 PRO A 9 30.605 4.034 24.745 1.00 0.00 H ATOM 81 HD2 PRO A 9 29.914 5.120 25.973 1.00 0.00 H ATOM 82 HG3 PRO A 9 32.165 5.608 26.457 1.00 0.00 H ATOM 83 HG2 PRO A 9 32.723 5.051 24.862 1.00 0.00 H ATOM 84 HB2 PRO A 9 32.935 7.359 24.495 1.00 0.00 H ATOM 85 HB3 PRO A 9 31.669 7.765 25.677 1.00 0.00 H ATOM 86 N ASN A 10 31.736 5.874 21.848 1.00 66.45 N ATOM 87 CA ASN A 10 32.614 5.479 20.734 1.00 68.95 C ATOM 88 C ASN A 10 32.043 5.660 19.290 1.00 65.14 C ATOM 89 O ASN A 10 32.799 5.694 18.334 1.00 65.34 O ATOM 90 CB ASN A 10 32.977 3.977 20.979 1.00 73.80 C ATOM 91 CG ASN A 10 31.852 3.173 21.839 1.00 74.48 C ATOM 92 OD1 ASN A 10 30.635 3.338 21.673 1.00 66.49 O ATOM 93 ND2 ASN A 10 32.324 2.312 22.748 1.00 84.60 N ATOM 94 HA ASN A 10 33.469 6.154 20.746 1.00 0.00 H ATOM 95 HB2 ASN A 10 33.090 3.486 20.012 1.00 0.00 H ATOM 96 HB3 ASN A 10 33.922 3.933 21.520 1.00 0.00 H ATOM 97 HD22 ASN A 10 33.350 2.192 22.867 1.00 0.00 H ATOM 98 HD21 ASN A 10 31.665 1.762 23.335 1.00 0.00 H ATOM 99 H ASN A 10 31.154 5.124 22.274 1.00 0.00 H ATOM 100 N ILE A 11 30.712 5.795 19.144 1.00 60.41 N ATOM 101 CA ILE A 11 30.058 5.690 17.835 1.00 57.60 C ATOM 102 C ILE A 11 29.485 6.976 17.223 1.00 54.55 C ATOM 103 O ILE A 11 29.197 7.912 17.922 1.00 53.17 O ATOM 104 CB ILE A 11 28.966 4.599 17.880 1.00 56.19 C ATOM 105 CG1 ILE A 11 27.735 5.111 18.633 1.00 53.46 C ATOM 106 CG2 ILE A 11 29.541 3.277 18.495 1.00 59.03 C ATOM 107 CD1 ILE A 11 26.534 4.062 18.576 1.00 54.19 C ATOM 108 HA ILE A 11 30.875 5.429 17.162 1.00 0.00 H ATOM 109 HB ILE A 11 28.645 4.365 16.865 1.00 0.00 H ATOM 110 HG12 ILE A 11 28.004 5.285 19.675 1.00 0.00 H ATOM 111 HG13 ILE A 11 27.408 6.048 18.182 1.00 0.00 H ATOM 112 HD11 ILE A 11 26.255 3.887 17.537 1.00 0.00 H ATOM 113 HD12 ILE A 11 26.851 3.124 19.031 1.00 0.00 H ATOM 114 HD13 ILE A 11 25.679 4.461 19.121 1.00 0.00 H ATOM 115 HG21 ILE A 11 30.371 2.924 17.883 1.00 0.00 H ATOM 116 HG22 ILE A 11 29.892 3.472 19.509 1.00 0.00 H ATOM 117 HG23 ILE A 11 28.758 2.519 18.519 1.00 0.00 H ATOM 118 H ILE A 11 30.129 5.979 19.985 1.00 0.00 H ATOM 119 N THR A 12 29.318 6.975 15.900 1.00 54.68 N ATOM 120 CA THR A 12 28.726 8.090 15.135 1.00 54.04 C ATOM 121 C THR A 12 27.209 7.881 14.938 1.00 51.76 C ATOM 122 O THR A 12 26.686 6.823 15.286 1.00 49.40 O ATOM 123 CB THR A 12 29.366 8.176 13.700 1.00 57.48 C ATOM 124 OG1 THR A 12 28.898 7.081 12.912 1.00 59.53 O ATOM 125 CG2 THR A 12 30.954 8.149 13.707 1.00 60.20 C ATOM 126 HA THR A 12 28.916 9.001 15.703 1.00 0.00 H ATOM 127 HB THR A 12 29.062 9.136 13.283 1.00 0.00 H ATOM 128 HG1 THR A 12 29.161 6.229 13.343 1.00 0.00 H ATOM 129 HG23 THR A 12 31.328 8.980 14.305 1.00 0.00 H ATOM 130 HG21 THR A 12 31.298 7.208 14.135 1.00 0.00 H ATOM 131 HG22 THR A 12 31.322 8.241 12.685 1.00 0.00 H ATOM 132 H THR A 12 29.625 6.133 15.372 1.00 0.00 H ATOM 133 N GLY A 13 26.516 8.879 14.375 1.00 50.82 N ATOM 134 CA GLY A 13 25.080 8.816 14.112 1.00 49.46 C ATOM 135 C GLY A 13 24.743 7.657 13.195 1.00 50.51 C ATOM 136 O GLY A 13 23.843 6.847 13.472 1.00 49.75 O ATOM 137 HA3 GLY A 13 24.763 9.747 13.641 1.00 0.00 H ATOM 138 HA2 GLY A 13 24.550 8.689 15.056 1.00 0.00 H ATOM 139 H GLY A 13 27.027 9.745 14.111 1.00 0.00 H ATOM 140 N VAL A 14 25.549 7.518 12.169 1.00 51.30 N ATOM 141 CA VAL A 14 25.392 6.470 11.192 1.00 52.83 C ATOM 142 C VAL A 14 25.489 5.097 11.852 1.00 50.86 C ATOM 143 O VAL A 14 24.635 4.228 11.577 1.00 46.40 O ATOM 144 CB VAL A 14 26.410 6.580 9.992 1.00 57.34 C ATOM 145 CG1 VAL A 14 26.526 5.223 9.213 1.00 60.69 C ATOM 146 CG2 VAL A 14 25.970 7.661 9.010 1.00 60.22 C ATOM 147 HA VAL A 14 24.396 6.595 10.766 1.00 0.00 H ATOM 148 HB VAL A 14 27.380 6.835 10.420 1.00 0.00 H ATOM 149 HG11 VAL A 14 26.874 4.444 9.892 1.00 0.00 H ATOM 150 HG12 VAL A 14 25.549 4.950 8.814 1.00 0.00 H ATOM 151 HG13 VAL A 14 27.236 5.336 8.393 1.00 0.00 H ATOM 152 HG21 VAL A 14 24.985 7.413 8.616 1.00 0.00 H ATOM 153 HG22 VAL A 14 25.925 8.621 9.524 1.00 0.00 H ATOM 154 HG23 VAL A 14 26.687 7.719 8.191 1.00 0.00 H ATOM 155 H VAL A 14 26.333 8.192 12.056 1.00 0.00 H ATOM 156 N GLU A 15 26.521 4.909 12.703 1.00 49.88 N ATOM 157 CA GLU A 15 26.751 3.628 13.375 1.00 49.17 C ATOM 158 C GLU A 15 25.625 3.354 14.382 1.00 45.71 C ATOM 159 O GLU A 15 25.298 2.208 14.584 1.00 44.65 O ATOM 160 CB GLU A 15 28.081 3.560 14.092 1.00 51.12 C ATOM 161 CG GLU A 15 29.255 3.471 13.138 1.00 61.08 C ATOM 162 CD GLU A 15 30.621 3.875 13.757 1.00 69.06 C ATOM 163 OE1 GLU A 15 31.662 3.380 13.226 1.00 76.97 O ATOM 164 OE2 GLU A 15 30.672 4.698 14.709 1.00 66.50 O ATOM 165 HA GLU A 15 26.764 2.869 12.593 1.00 0.00 H ATOM 166 HB2 GLU A 15 28.195 4.456 14.703 1.00 0.00 H ATOM 167 HB3 GLU A 15 28.086 2.680 14.735 1.00 0.00 H ATOM 168 HG2 GLU A 15 29.331 2.442 12.787 1.00 0.00 H ATOM 169 HG3 GLU A 15 29.057 4.129 12.292 1.00 0.00 H ATOM 170 H GLU A 15 27.173 5.698 12.887 1.00 0.00 H ATOM 171 N ALA A 16 25.058 4.400 14.989 1.00 42.76 N ATOM 172 CA ALA A 16 23.951 4.225 15.889 1.00 39.58 C ATOM 173 C ALA A 16 22.738 3.711 15.116 1.00 39.37 C ATOM 174 O ALA A 16 22.039 2.818 15.628 1.00 36.10 O ATOM 175 CB ALA A 16 23.613 5.540 16.595 1.00 39.79 C ATOM 176 HA ALA A 16 24.228 3.495 16.649 1.00 0.00 H ATOM 177 HB1 ALA A 16 24.479 5.879 17.163 1.00 0.00 H ATOM 178 HB2 ALA A 16 23.348 6.292 15.852 1.00 0.00 H ATOM 179 HB3 ALA A 16 22.772 5.382 17.271 1.00 0.00 H ATOM 180 H ALA A 16 25.423 5.357 14.807 1.00 0.00 H ATOM 181 N GLU A 17 22.427 4.264 13.931 1.00 39.98 N ATOM 182 CA GLU A 17 21.320 3.711 13.143 1.00 42.28 C ATOM 183 C GLU A 17 21.561 2.220 12.859 1.00 42.42 C ATOM 184 O GLU A 17 20.622 1.410 12.966 1.00 42.20 O ATOM 185 CB GLU A 17 21.050 4.442 11.804 1.00 45.09 C ATOM 186 CG GLU A 17 20.672 5.934 11.949 1.00 51.66 C ATOM 187 CD GLU A 17 19.944 6.598 10.717 1.00 61.83 C ATOM 188 OE1 GLU A 17 19.961 6.050 9.565 1.00 67.58 O ATOM 189 OE2 GLU A 17 19.349 7.707 10.915 1.00 63.21 O ATOM 190 HA GLU A 17 20.433 3.857 13.759 1.00 0.00 H ATOM 191 HB2 GLU A 17 21.951 4.377 11.193 1.00 0.00 H ATOM 192 HB3 GLU A 17 20.231 3.931 11.297 1.00 0.00 H ATOM 193 HG2 GLU A 17 20.014 6.027 12.813 1.00 0.00 H ATOM 194 HG3 GLU A 17 21.590 6.492 12.132 1.00 0.00 H ATOM 195 H GLU A 17 22.967 5.078 13.575 1.00 0.00 H ATOM 196 N ASN A 18 22.795 1.863 12.485 1.00 42.55 N ATOM 197 CA ASN A 18 23.126 0.477 12.108 1.00 44.55 C ATOM 198 C ASN A 18 22.923 -0.444 13.289 1.00 41.72 C ATOM 199 O ASN A 18 22.339 -1.492 13.134 1.00 40.15 O ATOM 200 CB ASN A 18 24.576 0.333 11.612 1.00 47.70 C ATOM 201 CG ASN A 18 24.825 1.028 10.255 1.00 54.17 C ATOM 202 OD1 ASN A 18 25.984 1.363 9.929 1.00 60.93 O ATOM 203 ND2 ASN A 18 23.763 1.250 9.471 1.00 52.37 N ATOM 204 HA ASN A 18 22.459 0.205 11.290 1.00 0.00 H ATOM 205 HB2 ASN A 18 25.242 0.773 12.354 1.00 0.00 H ATOM 206 HB3 ASN A 18 24.803 -0.728 11.505 1.00 0.00 H ATOM 207 HD22 ASN A 18 22.816 0.954 9.782 1.00 0.00 H ATOM 208 HD21 ASN A 18 23.885 1.718 8.550 1.00 0.00 H ATOM 209 H ASN A 18 23.543 2.585 12.460 1.00 0.00 H ATOM 210 N LEU A 19 23.385 -0.036 14.474 1.00 39.88 N ATOM 211 CA LEU A 19 23.200 -0.836 15.659 1.00 38.49 C ATOM 212 C LEU A 19 21.714 -0.999 15.981 1.00 34.46 C ATOM 213 O LEU A 19 21.279 -2.070 16.394 1.00 33.01 O ATOM 214 CB LEU A 19 23.874 -0.172 16.873 1.00 41.36 C ATOM 215 CG LEU A 19 24.789 -1.016 17.773 1.00 48.25 C ATOM 216 CD1 LEU A 19 25.875 -1.704 16.935 1.00 52.53 C ATOM 217 CD2 LEU A 19 25.494 -0.086 18.824 1.00 51.48 C ATOM 218 HA LEU A 19 23.649 -1.810 15.463 1.00 0.00 H ATOM 219 HB2 LEU A 19 24.474 0.654 16.493 1.00 0.00 H ATOM 220 HB3 LEU A 19 23.078 0.220 17.505 1.00 0.00 H ATOM 221 HG LEU A 19 24.180 -1.768 18.275 1.00 0.00 H ATOM 222 HD21 LEU A 19 26.089 0.664 18.302 1.00 0.00 H ATOM 223 HD22 LEU A 19 24.738 0.408 19.435 1.00 0.00 H ATOM 224 HD23 LEU A 19 26.143 -0.687 19.461 1.00 0.00 H ATOM 225 HD11 LEU A 19 25.405 -2.353 16.196 1.00 0.00 H ATOM 226 HD12 LEU A 19 26.474 -0.948 16.428 1.00 0.00 H ATOM 227 HD13 LEU A 19 26.514 -2.298 17.588 1.00 0.00 H ATOM 228 H LEU A 19 23.886 0.873 14.543 1.00 0.00 H ATOM 229 N LEU A 20 20.950 0.088 15.891 1.00 31.03 N ATOM 230 CA LEU A 20 19.536 0.026 16.346 1.00 30.74 C ATOM 231 C LEU A 20 18.747 -0.866 15.367 1.00 30.46 C ATOM 232 O LEU A 20 17.753 -1.541 15.753 1.00 31.26 O ATOM 233 CB LEU A 20 18.900 1.429 16.421 1.00 30.17 C ATOM 234 CG LEU A 20 19.399 2.200 17.688 1.00 28.25 C ATOM 235 CD1 LEU A 20 19.131 3.654 17.475 1.00 30.04 C ATOM 236 CD2 LEU A 20 18.710 1.683 18.990 1.00 25.73 C ATOM 237 HA LEU A 20 19.506 -0.394 17.351 1.00 0.00 H ATOM 238 HB2 LEU A 20 19.173 1.993 15.529 1.00 0.00 H ATOM 239 HB3 LEU A 20 17.816 1.328 16.468 1.00 0.00 H ATOM 240 HG LEU A 20 20.467 2.030 17.822 1.00 0.00 H ATOM 241 HD21 LEU A 20 17.632 1.820 18.908 1.00 0.00 H ATOM 242 HD22 LEU A 20 18.934 0.625 19.122 1.00 0.00 H ATOM 243 HD23 LEU A 20 19.085 2.245 19.846 1.00 0.00 H ATOM 244 HD11 LEU A 20 19.667 3.995 16.589 1.00 0.00 H ATOM 245 HD12 LEU A 20 18.061 3.808 17.335 1.00 0.00 H ATOM 246 HD13 LEU A 20 19.470 4.216 18.345 1.00 0.00 H ATOM 247 H LEU A 20 21.339 0.972 15.506 1.00 0.00 H ATOM 248 N LEU A 21 19.143 -0.798 14.090 1.00 31.13 N ATOM 249 CA LEU A 21 18.361 -1.508 13.035 1.00 33.72 C ATOM 250 C LEU A 21 18.650 -3.014 13.049 1.00 32.31 C ATOM 251 O LEU A 21 17.805 -3.818 12.606 1.00 35.78 O ATOM 252 CB LEU A 21 18.640 -0.894 11.643 1.00 36.98 C ATOM 253 CG LEU A 21 17.939 0.452 11.427 1.00 38.91 C ATOM 254 CD1 LEU A 21 18.247 1.057 10.035 1.00 48.30 C ATOM 255 CD2 LEU A 21 16.432 0.450 11.720 1.00 46.99 C ATOM 256 HA LEU A 21 17.301 -1.378 13.254 1.00 0.00 H ATOM 257 HB2 LEU A 21 19.715 -0.746 11.538 1.00 0.00 H ATOM 258 HB3 LEU A 21 18.294 -1.592 10.880 1.00 0.00 H ATOM 259 HG LEU A 21 18.374 1.105 12.184 1.00 0.00 H ATOM 260 HD21 LEU A 21 15.937 -0.270 11.068 1.00 0.00 H ATOM 261 HD22 LEU A 21 16.266 0.173 12.761 1.00 0.00 H ATOM 262 HD23 LEU A 21 16.027 1.445 11.538 1.00 0.00 H ATOM 263 HD11 LEU A 21 19.321 1.215 9.939 1.00 0.00 H ATOM 264 HD12 LEU A 21 17.909 0.371 9.259 1.00 0.00 H ATOM 265 HD13 LEU A 21 17.727 2.010 9.931 1.00 0.00 H ATOM 266 H LEU A 21 19.991 -0.253 13.834 1.00 0.00 H ATOM 267 N THR A 22 19.803 -3.419 13.564 1.00 32.28 N ATOM 268 CA THR A 22 20.245 -4.818 13.525 1.00 33.77 C ATOM 269 C THR A 22 20.249 -5.511 14.850 1.00 32.22 C ATOM 270 O THR A 22 20.107 -6.725 14.896 1.00 32.83 O ATOM 271 CB THR A 22 21.687 -4.951 12.996 1.00 38.26 C ATOM 272 OG1 THR A 22 22.586 -4.108 13.763 1.00 38.78 O ATOM 273 CG2 THR A 22 21.729 -4.631 11.495 1.00 42.01 C ATOM 274 HA THR A 22 19.510 -5.283 12.868 1.00 0.00 H ATOM 275 HB THR A 22 22.026 -5.979 13.121 1.00 0.00 H ATOM 276 HG1 THR A 22 22.299 -3.164 13.685 1.00 0.00 H ATOM 277 HG23 THR A 22 21.039 -5.288 10.965 1.00 0.00 H ATOM 278 HG21 THR A 22 21.437 -3.593 11.338 1.00 0.00 H ATOM 279 HG22 THR A 22 22.741 -4.786 11.120 1.00 0.00 H ATOM 280 H THR A 22 20.421 -2.715 14.015 1.00 0.00 H ATOM 281 N ARG A 23 20.447 -4.763 15.960 1.00 30.21 N ATOM 282 CA ARG A 23 20.409 -5.426 17.320 1.00 30.31 C ATOM 283 C ARG A 23 19.309 -4.858 18.193 1.00 28.66 C ATOM 284 O ARG A 23 19.148 -5.297 19.340 1.00 27.24 O ATOM 285 CB ARG A 23 21.740 -5.299 18.060 1.00 34.08 C ATOM 286 CG ARG A 23 22.935 -5.421 17.079 1.00 41.83 C ATOM 287 CD ARG A 23 24.213 -5.490 17.886 1.00 48.63 C ATOM 288 NE ARG A 23 24.279 -6.829 18.439 1.00 59.02 N ATOM 289 CZ ARG A 23 24.820 -7.861 17.775 1.00 65.13 C ATOM 290 NH1 ARG A 23 25.329 -7.701 16.535 1.00 64.84 N ATOM 291 NH2 ARG A 23 24.837 -9.066 18.335 1.00 68.77 N ATOM 292 HA ARG A 23 20.209 -6.480 17.129 1.00 0.00 H ATOM 293 HB2 ARG A 23 21.782 -4.329 18.555 1.00 0.00 H ATOM 294 HB3 ARG A 23 21.810 -6.090 18.807 1.00 0.00 H ATOM 295 HG2 ARG A 23 22.829 -6.325 16.480 1.00 0.00 H ATOM 296 HG3 ARG A 23 22.961 -4.552 16.421 1.00 0.00 H ATOM 297 HD2 ARG A 23 24.193 -4.752 18.688 1.00 0.00 H ATOM 298 HD3 ARG A 23 25.074 -5.304 17.244 1.00 0.00 H ATOM 299 HE ARG A 23 23.891 -6.996 19.389 1.00 0.00 H ATOM 300 HH12 ARG A 23 25.745 -8.513 16.035 1.00 0.00 H ATOM 301 HH11 ARG A 23 25.305 -6.766 16.080 1.00 0.00 H ATOM 302 HH22 ARG A 23 25.255 -9.870 17.825 1.00 0.00 H ATOM 303 HH21 ARG A 23 24.432 -9.205 19.283 1.00 0.00 H ATOM 304 H ARG A 23 20.624 -3.741 15.879 1.00 0.00 H ATOM 305 N GLY A 24 18.553 -3.898 17.680 1.00 27.55 N ATOM 306 CA GLY A 24 17.470 -3.377 18.495 1.00 27.17 C ATOM 307 C GLY A 24 16.080 -3.815 18.059 1.00 28.25 C ATOM 308 O GLY A 24 15.945 -4.494 17.032 1.00 30.53 O ATOM 309 HA3 GLY A 24 17.510 -2.288 18.459 1.00 0.00 H ATOM 310 HA2 GLY A 24 17.626 -3.711 19.521 1.00 0.00 H ATOM 311 H GLY A 24 18.730 -3.529 16.724 1.00 0.00 H ATOM 312 N VAL A 25 15.048 -3.343 18.795 1.00 27.99 N ATOM 313 CA VAL A 25 13.638 -3.573 18.471 1.00 29.32 C ATOM 314 C VAL A 25 12.969 -2.179 18.503 1.00 30.96 C ATOM 315 O VAL A 25 13.609 -1.180 18.892 1.00 28.69 O ATOM 316 CB VAL A 25 12.961 -4.490 19.479 1.00 30.68 C ATOM 317 CG1 VAL A 25 13.569 -5.886 19.437 1.00 28.70 C ATOM 318 CG2 VAL A 25 13.056 -3.930 20.953 1.00 26.29 C ATOM 319 HA VAL A 25 13.547 -4.062 17.501 1.00 0.00 H ATOM 320 HB VAL A 25 11.909 -4.537 19.196 1.00 0.00 H ATOM 321 HG11 VAL A 25 13.442 -6.306 18.439 1.00 0.00 H ATOM 322 HG12 VAL A 25 14.631 -5.826 19.675 1.00 0.00 H ATOM 323 HG13 VAL A 25 13.067 -6.521 20.167 1.00 0.00 H ATOM 324 HG21 VAL A 25 14.104 -3.830 21.236 1.00 0.00 H ATOM 325 HG22 VAL A 25 12.571 -2.955 21.002 1.00 0.00 H ATOM 326 HG23 VAL A 25 12.559 -4.620 21.635 1.00 0.00 H ATOM 327 H VAL A 25 15.269 -2.783 19.643 1.00 0.00 H ATOM 328 N ASP A 26 11.708 -2.078 18.085 1.00 30.99 N ATOM 329 CA ASP A 26 11.023 -0.774 18.195 1.00 32.87 C ATOM 330 C ASP A 26 10.982 -0.378 19.698 1.00 30.86 C ATOM 331 O ASP A 26 10.634 -1.211 20.531 1.00 30.93 O ATOM 332 CB ASP A 26 9.647 -0.851 17.513 1.00 35.85 C ATOM 333 CG ASP A 26 9.764 -0.992 15.932 1.00 42.26 C ATOM 334 OD1 ASP A 26 10.763 -0.529 15.241 1.00 40.14 O ATOM 335 OD2 ASP A 26 8.840 -1.624 15.384 1.00 51.14 O ATOM 336 HA ASP A 26 11.557 0.018 17.671 1.00 0.00 H ATOM 337 HB2 ASP A 26 9.110 -1.715 17.904 1.00 0.00 H ATOM 338 HB3 ASP A 26 9.090 0.057 17.744 1.00 0.00 H ATOM 339 H ASP A 26 11.215 -2.903 17.688 1.00 0.00 H ATOM 340 N GLY A 27 11.449 0.815 20.046 1.00 29.25 N ATOM 341 CA GLY A 27 11.534 1.203 21.454 1.00 27.40 C ATOM 342 C GLY A 27 12.973 1.259 21.907 1.00 26.34 C ATOM 343 O GLY A 27 13.266 1.920 22.916 1.00 25.52 O ATOM 344 HA3 GLY A 27 10.996 0.473 22.059 1.00 0.00 H ATOM 345 HA2 GLY A 27 11.080 2.185 21.583 1.00 0.00 H ATOM 346 H GLY A 27 11.758 1.481 19.309 1.00 0.00 H ATOM 347 N SER A 28 13.891 0.619 21.166 1.00 24.21 N ATOM 348 CA SER A 28 15.310 0.612 21.561 1.00 23.68 C ATOM 349 C SER A 28 15.891 2.028 21.425 1.00 24.93 C ATOM 350 O SER A 28 15.508 2.785 20.516 1.00 26.19 O ATOM 351 CB SER A 28 16.222 -0.403 20.755 1.00 23.85 C ATOM 352 OG SER A 28 15.793 -1.748 21.070 1.00 25.16 O ATOM 353 HA SER A 28 15.322 0.270 22.596 1.00 0.00 H ATOM 354 HB2 SER A 28 17.265 -0.271 21.044 1.00 0.00 H ATOM 355 HB3 SER A 28 16.117 -0.223 19.685 1.00 0.00 H ATOM 356 HG SER A 28 15.888 -1.904 22.043 1.00 0.00 H ATOM 357 H SER A 28 13.597 0.121 20.302 1.00 0.00 H ATOM 358 N PHE A 29 16.854 2.372 22.275 1.00 23.86 N ATOM 359 CA PHE A 29 17.463 3.721 22.166 1.00 25.83 C ATOM 360 C PHE A 29 18.860 3.644 22.696 1.00 25.43 C ATOM 361 O PHE A 29 19.212 2.714 23.502 1.00 25.01 O ATOM 362 CB PHE A 29 16.588 4.790 22.922 1.00 25.10 C ATOM 363 CG PHE A 29 16.668 4.704 24.418 1.00 27.16 C ATOM 364 CD1 PHE A 29 15.840 3.869 25.130 1.00 23.68 C ATOM 365 CD2 PHE A 29 17.663 5.462 25.140 1.00 26.87 C ATOM 366 CE1 PHE A 29 16.001 3.716 26.554 1.00 26.65 C ATOM 367 CE2 PHE A 29 17.793 5.317 26.536 1.00 26.36 C ATOM 368 CZ PHE A 29 16.960 4.478 27.235 1.00 28.48 C ATOM 369 HA PHE A 29 17.500 4.044 21.126 1.00 0.00 H ATOM 370 HB2 PHE A 29 16.922 5.782 22.618 1.00 0.00 H ATOM 371 HB3 PHE A 29 15.548 4.652 22.627 1.00 0.00 H ATOM 372 HD2 PHE A 29 18.316 6.149 24.603 1.00 0.00 H ATOM 373 HE2 PHE A 29 18.563 5.877 27.067 1.00 0.00 H ATOM 374 HZ PHE A 29 17.045 4.405 28.319 1.00 0.00 H ATOM 375 HE1 PHE A 29 15.378 3.008 27.101 1.00 0.00 H ATOM 376 HD1 PHE A 29 15.055 3.318 24.613 1.00 0.00 H ATOM 377 H PHE A 29 17.176 1.705 23.006 1.00 0.00 H ATOM 378 N LEU A 30 19.652 4.632 22.338 1.00 24.91 N ATOM 379 CA LEU A 30 20.923 4.819 22.978 1.00 27.00 C ATOM 380 C LEU A 30 21.269 6.339 22.959 1.00 28.39 C ATOM 381 O LEU A 30 20.603 7.113 22.267 1.00 27.93 O ATOM 382 CB LEU A 30 22.039 4.066 22.271 1.00 27.44 C ATOM 383 CG LEU A 30 22.091 4.316 20.748 1.00 32.80 C ATOM 384 CD1 LEU A 30 23.009 5.513 20.496 1.00 30.06 C ATOM 385 CD2 LEU A 30 22.729 3.119 20.136 1.00 32.34 C ATOM 386 HA LEU A 30 20.846 4.434 23.995 1.00 0.00 H ATOM 387 HB2 LEU A 30 22.991 4.376 22.703 1.00 0.00 H ATOM 388 HB3 LEU A 30 21.895 2.999 22.440 1.00 0.00 H ATOM 389 HG LEU A 30 21.098 4.499 20.339 1.00 0.00 H ATOM 390 HD21 LEU A 30 23.733 2.996 20.543 1.00 0.00 H ATOM 391 HD22 LEU A 30 22.133 2.235 20.363 1.00 0.00 H ATOM 392 HD23 LEU A 30 22.787 3.252 19.056 1.00 0.00 H ATOM 393 HD11 LEU A 30 22.611 6.389 21.008 1.00 0.00 H ATOM 394 HD12 LEU A 30 24.006 5.291 20.876 1.00 0.00 H ATOM 395 HD13 LEU A 30 23.062 5.710 19.425 1.00 0.00 H ATOM 396 H LEU A 30 19.354 5.284 21.584 1.00 0.00 H ATOM 397 N ALA A 31 22.294 6.724 23.730 1.00 28.80 N ATOM 398 CA ALA A 31 22.839 8.116 23.663 1.00 30.69 C ATOM 399 C ALA A 31 24.244 8.013 23.145 1.00 33.16 C ATOM 400 O ALA A 31 24.930 7.007 23.395 1.00 32.31 O ATOM 401 CB ALA A 31 22.816 8.798 25.042 1.00 27.77 C ATOM 402 HA ALA A 31 22.224 8.730 23.005 1.00 0.00 H ATOM 403 HB1 ALA A 31 21.789 8.846 25.405 1.00 0.00 H ATOM 404 HB2 ALA A 31 23.423 8.223 25.741 1.00 0.00 H ATOM 405 HB3 ALA A 31 23.219 9.807 24.954 1.00 0.00 H ATOM 406 H ALA A 31 22.720 6.041 24.389 1.00 0.00 H ATOM 407 N ARG A 32 24.681 9.052 22.428 1.00 36.02 N ATOM 408 CA ARG A 32 26.004 9.022 21.734 1.00 40.14 C ATOM 409 C ARG A 32 26.524 10.483 21.600 1.00 42.93 C ATOM 410 O ARG A 32 25.773 11.423 21.898 1.00 41.23 O ATOM 411 CB ARG A 32 25.878 8.388 20.352 1.00 39.35 C ATOM 412 CG ARG A 32 24.938 9.247 19.484 1.00 42.73 C ATOM 413 CD ARG A 32 24.814 8.722 18.161 1.00 39.21 C ATOM 414 NE ARG A 32 23.850 9.450 17.339 1.00 43.08 N ATOM 415 CZ ARG A 32 24.040 10.654 16.780 1.00 39.56 C ATOM 416 NH1 ARG A 32 25.121 11.352 17.030 1.00 41.93 N ATOM 417 NH2 ARG A 32 23.113 11.187 16.009 1.00 39.21 N ATOM 418 HA ARG A 32 26.704 8.422 22.316 1.00 0.00 H ATOM 419 HB2 ARG A 32 26.861 8.336 19.884 1.00 0.00 H ATOM 420 HB3 ARG A 32 25.469 7.382 20.448 1.00 0.00 H ATOM 421 HG2 ARG A 32 23.952 9.272 19.948 1.00 0.00 H ATOM 422 HG3 ARG A 32 25.337 10.260 19.427 1.00 0.00 H ATOM 423 HD2 ARG A 32 24.495 7.682 18.230 1.00 0.00 H ATOM 424 HD3 ARG A 32 25.789 8.771 17.676 1.00 0.00 H ATOM 425 HE ARG A 32 22.931 8.992 17.172 1.00 0.00 H ATOM 426 HH12 ARG A 32 25.252 12.284 16.588 1.00 0.00 H ATOM 427 HH11 ARG A 32 25.848 10.974 17.671 1.00 0.00 H ATOM 428 HH22 ARG A 32 23.268 12.121 15.579 1.00 0.00 H ATOM 429 HH21 ARG A 32 22.227 10.673 15.831 1.00 0.00 H ATOM 430 H ARG A 32 24.086 9.902 22.351 1.00 0.00 H ATOM 431 N PRO A 33 27.811 10.671 21.192 1.00 46.46 N ATOM 432 CA PRO A 33 28.323 12.061 20.935 1.00 48.61 C ATOM 433 C PRO A 33 27.629 12.703 19.737 1.00 48.55 C ATOM 434 O PRO A 33 27.367 12.012 18.734 1.00 48.66 O ATOM 435 CB PRO A 33 29.822 11.848 20.636 1.00 50.51 C ATOM 436 CG PRO A 33 30.182 10.651 21.416 1.00 51.02 C ATOM 437 CD PRO A 33 28.910 9.715 21.353 1.00 47.62 C ATOM 438 HA PRO A 33 28.140 12.729 21.776 1.00 0.00 H ATOM 439 HD3 PRO A 33 28.965 9.033 20.504 1.00 0.00 H ATOM 440 HD2 PRO A 33 28.799 9.140 22.272 1.00 0.00 H ATOM 441 HG3 PRO A 33 30.407 10.921 22.448 1.00 0.00 H ATOM 442 HG2 PRO A 33 31.045 10.153 20.975 1.00 0.00 H ATOM 443 HB2 PRO A 33 29.984 11.679 19.571 1.00 0.00 H ATOM 444 HB3 PRO A 33 30.407 12.710 20.958 1.00 0.00 H ATOM 445 N SER A 34 27.322 13.995 19.851 1.00 49.03 N ATOM 446 CA SER A 34 26.740 14.836 18.761 1.00 50.28 C ATOM 447 C SER A 34 27.863 15.246 17.805 1.00 53.93 C ATOM 448 O SER A 34 28.915 15.731 18.257 1.00 54.33 O ATOM 449 CB SER A 34 26.089 16.106 19.365 1.00 49.10 C ATOM 450 OG SER A 34 25.387 16.966 18.440 1.00 48.20 O ATOM 451 HA SER A 34 25.979 14.268 18.226 1.00 0.00 H ATOM 452 HB2 SER A 34 26.879 16.694 19.832 1.00 0.00 H ATOM 453 HB3 SER A 34 25.378 15.785 20.126 1.00 0.00 H ATOM 454 HG SER A 34 24.652 16.459 18.013 1.00 0.00 H ATOM 455 H SER A 34 27.501 14.453 20.768 1.00 0.00 H ATOM 456 N LYS A 35 27.658 14.996 16.508 1.00 56.28 N ATOM 457 CA LYS A 35 28.574 15.404 15.420 1.00 59.98 C ATOM 458 C LYS A 35 28.500 16.915 15.224 1.00 61.54 C ATOM 459 O LYS A 35 29.508 17.611 15.335 1.00 62.36 O ATOM 460 CB LYS A 35 28.249 14.678 14.096 1.00 61.03 C ATOM 461 HA LYS A 35 29.586 15.122 15.709 1.00 0.00 H ATOM 462 HB2 LYS A 35 28.345 13.602 14.240 1.00 0.00 H ATOM 463 HB3 LYS A 35 27.229 14.916 13.794 1.00 0.00 H ATOM 464 H LYS A 35 26.795 14.479 16.245 1.00 0.00 H ATOM 465 N SER A 36 27.294 17.407 14.956 1.00 62.02 N ATOM 466 CA SER A 36 27.038 18.840 14.819 1.00 64.21 C ATOM 467 C SER A 36 27.235 19.715 16.063 1.00 64.01 C ATOM 468 O SER A 36 27.308 20.932 15.941 1.00 64.18 O ATOM 469 CB SER A 36 25.647 19.079 14.221 1.00 64.29 C ATOM 470 OG SER A 36 24.671 18.817 15.195 1.00 65.82 O ATOM 471 HA SER A 36 27.828 19.172 14.146 1.00 0.00 H ATOM 472 HB2 SER A 36 25.498 18.416 13.369 1.00 0.00 H ATOM 473 HB3 SER A 36 25.565 20.115 13.893 1.00 0.00 H ATOM 474 HG SER A 36 24.747 17.876 15.492 1.00 0.00 H ATOM 475 H SER A 36 26.500 16.745 14.839 1.00 0.00 H ATOM 476 N ASN A 37 27.301 19.147 17.270 1.00 62.81 N ATOM 477 CA ASN A 37 27.777 19.954 18.413 1.00 64.03 C ATOM 478 C ASN A 37 28.872 19.232 19.209 1.00 64.41 C ATOM 479 O ASN A 37 28.560 18.546 20.193 1.00 63.50 O ATOM 480 CB ASN A 37 26.638 20.339 19.351 1.00 63.14 C ATOM 481 CG ASN A 37 25.552 21.090 18.659 1.00 63.69 C ATOM 482 OD1 ASN A 37 25.107 22.104 19.161 1.00 69.27 O ATOM 483 ND2 ASN A 37 25.122 20.616 17.513 1.00 64.62 N ATOM 484 HA ASN A 37 28.200 20.863 17.984 1.00 0.00 H ATOM 485 HB2 ASN A 37 26.216 19.430 19.779 1.00 0.00 H ATOM 486 HB3 ASN A 37 27.039 20.963 20.150 1.00 0.00 H ATOM 487 HD22 ASN A 37 25.534 19.744 17.123 1.00 0.00 H ATOM 488 HD21 ASN A 37 24.369 21.112 16.995 1.00 0.00 H ATOM 489 H ASN A 37 27.022 18.154 17.403 1.00 0.00 H ATOM 490 N PRO A 38 30.150 19.342 18.762 1.00 66.85 N ATOM 491 CA PRO A 38 31.240 18.655 19.483 1.00 67.31 C ATOM 492 C PRO A 38 31.088 18.794 21.032 1.00 65.37 C ATOM 493 O PRO A 38 30.615 19.839 21.519 1.00 65.04 O ATOM 494 CB PRO A 38 32.507 19.368 18.915 1.00 69.37 C ATOM 495 CG PRO A 38 32.121 19.569 17.471 1.00 70.14 C ATOM 496 CD PRO A 38 30.674 20.064 17.575 1.00 68.27 C ATOM 497 HA PRO A 38 31.265 17.575 19.335 1.00 0.00 H ATOM 498 HD3 PRO A 38 30.640 21.143 17.727 1.00 0.00 H ATOM 499 HD2 PRO A 38 30.108 19.807 16.680 1.00 0.00 H ATOM 500 HG3 PRO A 38 32.178 18.633 16.915 1.00 0.00 H ATOM 501 HG2 PRO A 38 32.758 20.313 16.993 1.00 0.00 H ATOM 502 HB2 PRO A 38 32.686 20.320 19.415 1.00 0.00 H ATOM 503 HB3 PRO A 38 33.392 18.739 19.006 1.00 0.00 H ATOM 504 N GLY A 39 31.415 17.737 21.781 1.00 63.52 N ATOM 505 CA GLY A 39 31.286 17.790 23.227 1.00 61.73 C ATOM 506 C GLY A 39 29.882 17.569 23.797 1.00 58.43 C ATOM 507 O GLY A 39 29.753 17.326 25.004 1.00 58.15 O ATOM 508 HA3 GLY A 39 31.625 18.773 23.554 1.00 0.00 H ATOM 509 HA2 GLY A 39 31.938 17.024 23.646 1.00 0.00 H ATOM 510 H GLY A 39 31.764 16.870 21.325 1.00 0.00 H ATOM 511 N ASP A 40 28.837 17.675 22.964 1.00 55.77 N ATOM 512 CA ASP A 40 27.442 17.398 23.412 1.00 53.04 C ATOM 513 C ASP A 40 26.930 15.998 23.014 1.00 50.04 C ATOM 514 O ASP A 40 27.641 15.279 22.304 1.00 49.64 O ATOM 515 CB ASP A 40 26.482 18.458 22.907 1.00 53.25 C ATOM 516 CG ASP A 40 26.665 19.778 23.652 1.00 58.10 C ATOM 517 OD1 ASP A 40 27.306 19.808 24.755 1.00 57.84 O ATOM 518 OD2 ASP A 40 26.131 20.779 23.142 1.00 63.97 O ATOM 519 HA ASP A 40 27.478 17.426 24.501 1.00 0.00 H ATOM 520 HB2 ASP A 40 26.662 18.622 21.845 1.00 0.00 H ATOM 521 HB3 ASP A 40 25.460 18.108 23.051 1.00 0.00 H ATOM 522 H ASP A 40 29.004 17.958 21.977 1.00 0.00 H ATOM 523 N PHE A 41 25.738 15.630 23.483 1.00 45.81 N ATOM 524 CA PHE A 41 25.144 14.270 23.211 1.00 43.24 C ATOM 525 C PHE A 41 23.814 14.278 22.463 1.00 39.62 C ATOM 526 O PHE A 41 23.112 15.290 22.411 1.00 39.57 O ATOM 527 CB PHE A 41 25.074 13.396 24.483 1.00 44.33 C ATOM 528 CG PHE A 41 26.378 13.331 25.217 1.00 46.44 C ATOM 529 CD1 PHE A 41 27.444 12.581 24.678 1.00 53.44 C ATOM 530 CD2 PHE A 41 26.590 14.132 26.352 1.00 54.28 C ATOM 531 CE1 PHE A 41 28.716 12.591 25.285 1.00 58.64 C ATOM 532 CE2 PHE A 41 27.810 14.146 27.000 1.00 57.39 C ATOM 533 CZ PHE A 41 28.901 13.387 26.471 1.00 61.27 C ATOM 534 HA PHE A 41 25.849 13.810 22.519 1.00 0.00 H ATOM 535 HB2 PHE A 41 24.319 13.812 25.150 1.00 0.00 H ATOM 536 HB3 PHE A 41 24.785 12.385 24.195 1.00 0.00 H ATOM 537 HD2 PHE A 41 25.777 14.753 26.728 1.00 0.00 H ATOM 538 HE2 PHE A 41 27.941 14.732 27.910 1.00 0.00 H ATOM 539 HZ PHE A 41 29.872 13.411 26.965 1.00 0.00 H ATOM 540 HE1 PHE A 41 29.539 12.011 24.867 1.00 0.00 H ATOM 541 HD1 PHE A 41 27.282 11.985 23.780 1.00 0.00 H ATOM 542 H PHE A 41 25.197 16.306 24.059 1.00 0.00 H ATOM 543 N THR A 42 23.491 13.139 21.875 1.00 36.09 N ATOM 544 CA THR A 42 22.260 12.957 21.141 1.00 34.88 C ATOM 545 C THR A 42 21.670 11.571 21.450 1.00 33.50 C ATOM 546 O THR A 42 22.407 10.642 21.633 1.00 34.09 O ATOM 547 CB THR A 42 22.545 13.030 19.637 1.00 36.65 C ATOM 548 OG1 THR A 42 23.040 14.347 19.321 1.00 38.40 O ATOM 549 CG2 THR A 42 21.275 12.749 18.808 1.00 36.33 C ATOM 550 HA THR A 42 21.558 13.738 21.433 1.00 0.00 H ATOM 551 HB THR A 42 23.285 12.270 19.387 1.00 0.00 H ATOM 552 HG1 THR A 42 23.227 14.404 18.351 1.00 0.00 H ATOM 553 HG23 THR A 42 20.900 11.754 19.046 1.00 0.00 H ATOM 554 HG21 THR A 42 20.514 13.492 19.048 1.00 0.00 H ATOM 555 HG22 THR A 42 21.516 12.803 17.746 1.00 0.00 H ATOM 556 H THR A 42 24.152 12.339 21.944 1.00 0.00 H ATOM 557 N LEU A 43 20.365 11.494 21.532 1.00 30.44 N ATOM 558 CA LEU A 43 19.651 10.226 21.678 1.00 32.43 C ATOM 559 C LEU A 43 19.341 9.708 20.294 1.00 32.78 C ATOM 560 O LEU A 43 18.965 10.505 19.431 1.00 35.48 O ATOM 561 CB LEU A 43 18.348 10.483 22.406 1.00 31.30 C ATOM 562 CG LEU A 43 18.450 10.874 23.843 1.00 34.87 C ATOM 563 CD1 LEU A 43 17.109 11.284 24.417 1.00 39.13 C ATOM 564 CD2 LEU A 43 19.074 9.747 24.725 1.00 36.45 C ATOM 565 HA LEU A 43 20.251 9.506 22.234 1.00 0.00 H ATOM 566 HB2 LEU A 43 17.828 11.285 21.881 1.00 0.00 H ATOM 567 HB3 LEU A 43 17.754 9.571 22.353 1.00 0.00 H ATOM 568 HG LEU A 43 19.118 11.735 23.866 1.00 0.00 H ATOM 569 HD21 LEU A 43 18.454 8.853 24.663 1.00 0.00 H ATOM 570 HD22 LEU A 43 20.078 9.520 24.366 1.00 0.00 H ATOM 571 HD23 LEU A 43 19.125 10.084 25.760 1.00 0.00 H ATOM 572 HD11 LEU A 43 16.721 12.136 23.859 1.00 0.00 H ATOM 573 HD12 LEU A 43 16.412 10.450 24.340 1.00 0.00 H ATOM 574 HD13 LEU A 43 17.233 11.560 25.464 1.00 0.00 H ATOM 575 H LEU A 43 19.812 12.374 21.491 1.00 0.00 H ATOM 576 N SER A 44 19.561 8.419 20.033 1.00 31.55 N ATOM 577 CA SER A 44 19.128 7.800 18.792 1.00 32.00 C ATOM 578 C SER A 44 18.083 6.763 19.213 1.00 30.95 C ATOM 579 O SER A 44 18.377 5.928 20.107 1.00 28.91 O ATOM 580 CB SER A 44 20.331 7.200 18.067 1.00 32.42 C ATOM 581 OG SER A 44 21.165 8.268 17.606 1.00 36.82 O ATOM 582 HA SER A 44 18.690 8.500 18.081 1.00 0.00 H ATOM 583 HB2 SER A 44 19.990 6.607 17.218 1.00 0.00 H ATOM 584 HB3 SER A 44 20.893 6.564 18.751 1.00 0.00 H ATOM 585 HG SER A 44 20.650 8.844 16.987 1.00 0.00 H ATOM 586 H SER A 44 20.058 7.839 20.739 1.00 0.00 H ATOM 587 N VAL A 45 16.871 6.862 18.640 1.00 29.61 N ATOM 588 CA VAL A 45 15.725 6.051 19.077 1.00 29.71 C ATOM 589 C VAL A 45 15.114 5.291 17.873 1.00 32.89 C ATOM 590 O VAL A 45 14.877 5.888 16.787 1.00 33.40 O ATOM 591 CB VAL A 45 14.643 6.944 19.644 1.00 29.55 C ATOM 592 CG1 VAL A 45 13.550 6.088 20.289 1.00 27.78 C ATOM 593 CG2 VAL A 45 15.233 7.964 20.757 1.00 32.03 C ATOM 594 HA VAL A 45 16.081 5.349 19.831 1.00 0.00 H ATOM 595 HB VAL A 45 14.233 7.528 18.820 1.00 0.00 H ATOM 596 HG11 VAL A 45 13.117 5.428 19.538 1.00 0.00 H ATOM 597 HG12 VAL A 45 13.984 5.492 21.092 1.00 0.00 H ATOM 598 HG13 VAL A 45 12.774 6.737 20.695 1.00 0.00 H ATOM 599 HG21 VAL A 45 15.672 7.393 21.575 1.00 0.00 H ATOM 600 HG22 VAL A 45 15.997 8.595 20.302 1.00 0.00 H ATOM 601 HG23 VAL A 45 14.426 8.588 21.140 1.00 0.00 H ATOM 602 H VAL A 45 16.739 7.537 17.859 1.00 0.00 H ATOM 603 N ARG A 46 14.799 4.014 18.056 1.00 31.59 N ATOM 604 CA ARG A 46 14.135 3.290 16.977 1.00 31.49 C ATOM 605 C ARG A 46 12.666 3.330 17.169 1.00 32.15 C ATOM 606 O ARG A 46 12.157 3.030 18.238 1.00 29.44 O ATOM 607 CB ARG A 46 14.665 1.886 16.937 1.00 31.24 C ATOM 608 CG ARG A 46 14.078 1.067 15.826 1.00 35.26 C ATOM 609 CD ARG A 46 14.723 -0.307 15.715 1.00 35.73 C ATOM 610 NE ARG A 46 13.792 -1.238 15.056 1.00 34.59 N ATOM 611 CZ ARG A 46 14.146 -2.398 14.558 1.00 35.97 C ATOM 612 NH1 ARG A 46 15.408 -2.789 14.600 1.00 32.40 N ATOM 613 NH2 ARG A 46 13.232 -3.147 13.958 1.00 35.89 N ATOM 614 HA ARG A 46 14.344 3.760 16.016 1.00 0.00 H ATOM 615 HB2 ARG A 46 15.746 1.927 16.805 1.00 0.00 H ATOM 616 HB3 ARG A 46 14.434 1.401 17.885 1.00 0.00 H ATOM 617 HG2 ARG A 46 13.011 0.939 16.011 1.00 0.00 H ATOM 618 HG3 ARG A 46 14.222 1.599 14.885 1.00 0.00 H ATOM 619 HD2 ARG A 46 14.962 -0.677 16.712 1.00 0.00 H ATOM 620 HD3 ARG A 46 15.638 -0.232 15.128 1.00 0.00 H ATOM 621 HE ARG A 46 12.793 -0.959 14.981 1.00 0.00 H ATOM 622 HH12 ARG A 46 15.680 -3.711 14.203 1.00 0.00 H ATOM 623 HH11 ARG A 46 16.129 -2.175 15.030 1.00 0.00 H ATOM 624 HH22 ARG A 46 13.497 -4.070 13.558 1.00 0.00 H ATOM 625 HH21 ARG A 46 12.250 -2.812 13.887 1.00 0.00 H ATOM 626 H ARG A 46 15.022 3.538 18.953 1.00 0.00 H ATOM 627 N ARG A 47 11.940 3.640 16.108 1.00 35.29 N ATOM 628 CA ARG A 47 10.499 3.479 16.158 1.00 41.57 C ATOM 629 C ARG A 47 9.950 3.142 14.759 1.00 43.91 C ATOM 630 O ARG A 47 10.386 3.724 13.754 1.00 44.56 O ATOM 631 CB ARG A 47 9.782 4.733 16.704 1.00 43.34 C ATOM 632 CG ARG A 47 9.873 5.894 15.888 1.00 53.28 C ATOM 633 CD ARG A 47 8.559 6.687 15.972 1.00 64.13 C ATOM 634 NE ARG A 47 8.817 7.990 15.367 1.00 71.44 N ATOM 635 CZ ARG A 47 8.072 9.083 15.522 1.00 75.52 C ATOM 636 NH1 ARG A 47 6.962 9.099 16.264 1.00 78.66 N ATOM 637 NH2 ARG A 47 8.471 10.192 14.935 1.00 77.68 N ATOM 638 HA ARG A 47 10.298 2.657 16.845 1.00 0.00 H ATOM 639 HB2 ARG A 47 8.726 4.490 16.826 1.00 0.00 H ATOM 640 HB3 ARG A 47 10.214 4.971 17.676 1.00 0.00 H ATOM 641 HG2 ARG A 47 10.697 6.518 16.235 1.00 0.00 H ATOM 642 HG3 ARG A 47 10.053 5.598 14.854 1.00 0.00 H ATOM 643 HD2 ARG A 47 8.259 6.808 17.013 1.00 0.00 H ATOM 644 HD3 ARG A 47 7.771 6.168 15.426 1.00 0.00 H ATOM 645 HE ARG A 47 9.658 8.072 14.761 1.00 0.00 H ATOM 646 HH12 ARG A 47 6.411 9.976 16.357 1.00 0.00 H ATOM 647 HH11 ARG A 47 6.648 8.234 16.749 1.00 0.00 H ATOM 648 HH22 ARG A 47 7.913 11.064 15.036 1.00 0.00 H ATOM 649 HH21 ARG A 47 9.345 10.196 14.371 1.00 0.00 H ATOM 650 H ARG A 47 12.398 3.996 15.245 1.00 0.00 H ATOM 651 N ASN A 48 9.024 2.197 14.727 1.00 46.20 N ATOM 652 CA ASN A 48 8.460 1.694 13.445 1.00 50.20 C ATOM 653 C ASN A 48 9.516 1.309 12.461 1.00 49.54 C ATOM 654 O ASN A 48 9.467 1.776 11.334 1.00 52.02 O ATOM 655 CB ASN A 48 7.629 2.802 12.778 1.00 53.14 C ATOM 656 CG ASN A 48 6.474 3.239 13.648 1.00 58.29 C ATOM 657 OD1 ASN A 48 6.141 4.436 13.722 1.00 68.17 O ATOM 658 ND2 ASN A 48 5.857 2.266 14.336 1.00 60.50 N ATOM 659 HA ASN A 48 7.863 0.818 13.698 1.00 0.00 H ATOM 660 HB2 ASN A 48 8.273 3.661 12.589 1.00 0.00 H ATOM 661 HB3 ASN A 48 7.237 2.428 11.832 1.00 0.00 H ATOM 662 HD22 ASN A 48 6.173 1.280 14.240 1.00 0.00 H ATOM 663 HD21 ASN A 48 5.062 2.498 14.966 1.00 0.00 H ATOM 664 H ASN A 48 8.681 1.795 15.623 1.00 0.00 H ATOM 665 N GLY A 49 10.484 0.501 12.876 1.00 47.08 N ATOM 666 CA GLY A 49 11.624 0.177 11.999 1.00 47.04 C ATOM 667 C GLY A 49 12.515 1.284 11.414 1.00 45.86 C ATOM 668 O GLY A 49 13.219 1.001 10.498 1.00 48.06 O ATOM 669 HA3 GLY A 49 11.216 -0.373 11.151 1.00 0.00 H ATOM 670 HA2 GLY A 49 12.280 -0.478 12.573 1.00 0.00 H ATOM 671 H GLY A 49 10.438 0.092 13.831 1.00 0.00 H ATOM 672 N ALA A 50 12.465 2.543 11.894 1.00 44.75 N ATOM 673 CA ALA A 50 13.371 3.609 11.417 1.00 42.94 C ATOM 674 C ALA A 50 13.937 4.316 12.679 1.00 42.61 C ATOM 675 O ALA A 50 13.380 4.148 13.771 1.00 41.68 O ATOM 676 CB ALA A 50 12.626 4.663 10.560 1.00 44.66 C ATOM 677 HA ALA A 50 14.150 3.167 10.796 1.00 0.00 H ATOM 678 HB1 ALA A 50 12.185 4.176 9.690 1.00 0.00 H ATOM 679 HB2 ALA A 50 11.840 5.125 11.157 1.00 0.00 H ATOM 680 HB3 ALA A 50 13.331 5.427 10.232 1.00 0.00 H ATOM 681 H ALA A 50 11.763 2.772 12.627 1.00 0.00 H ATOM 682 N VAL A 51 14.972 5.136 12.525 1.00 41.40 N ATOM 683 CA VAL A 51 15.700 5.708 13.670 1.00 41.22 C ATOM 684 C VAL A 51 15.487 7.226 13.592 1.00 43.00 C ATOM 685 O VAL A 51 15.487 7.742 12.482 1.00 43.65 O ATOM 686 CB VAL A 51 17.175 5.301 13.607 1.00 41.88 C ATOM 687 CG1 VAL A 51 18.004 6.030 14.707 1.00 37.55 C ATOM 688 CG2 VAL A 51 17.317 3.732 13.671 1.00 41.36 C ATOM 689 HA VAL A 51 15.336 5.339 14.629 1.00 0.00 H ATOM 690 HB VAL A 51 17.589 5.619 12.650 1.00 0.00 H ATOM 691 HG11 VAL A 51 17.932 7.108 14.560 1.00 0.00 H ATOM 692 HG12 VAL A 51 17.611 5.769 15.689 1.00 0.00 H ATOM 693 HG13 VAL A 51 19.047 5.722 14.638 1.00 0.00 H ATOM 694 HG21 VAL A 51 16.888 3.367 14.604 1.00 0.00 H ATOM 695 HG22 VAL A 51 16.789 3.286 12.828 1.00 0.00 H ATOM 696 HG23 VAL A 51 18.372 3.462 13.625 1.00 0.00 H ATOM 697 H VAL A 51 15.278 5.382 11.562 1.00 0.00 H ATOM 698 N THR A 52 15.177 7.883 14.715 1.00 41.38 N ATOM 699 CA THR A 52 15.099 9.352 14.835 1.00 44.16 C ATOM 700 C THR A 52 16.229 9.779 15.800 1.00 41.70 C ATOM 701 O THR A 52 16.599 8.992 16.697 1.00 40.33 O ATOM 702 CB THR A 52 13.784 9.792 15.534 1.00 44.78 C ATOM 703 OG1 THR A 52 12.685 9.311 14.801 1.00 53.77 O ATOM 704 CG2 THR A 52 13.638 11.302 15.463 1.00 51.61 C ATOM 705 HA THR A 52 15.162 9.789 13.839 1.00 0.00 H ATOM 706 HB THR A 52 13.815 9.421 16.558 1.00 0.00 H ATOM 707 HG1 THR A 52 11.846 9.591 15.245 1.00 0.00 H ATOM 708 HG23 THR A 52 14.456 11.771 16.010 1.00 0.00 H ATOM 709 HG21 THR A 52 13.667 11.620 14.421 1.00 0.00 H ATOM 710 HG22 THR A 52 12.687 11.595 15.907 1.00 0.00 H ATOM 711 H THR A 52 14.976 7.318 15.565 1.00 0.00 H ATOM 712 N HIS A 53 16.721 11.009 15.681 1.00 40.27 N ATOM 713 CA HIS A 53 17.779 11.485 16.541 1.00 39.18 C ATOM 714 C HIS A 53 17.314 12.751 17.227 1.00 39.85 C ATOM 715 O HIS A 53 16.557 13.553 16.658 1.00 39.53 O ATOM 716 CB HIS A 53 19.088 11.666 15.790 1.00 41.64 C ATOM 717 CG HIS A 53 19.485 10.492 14.941 1.00 41.15 C ATOM 718 ND1 HIS A 53 20.353 9.510 15.380 1.00 42.29 N ATOM 719 CD2 HIS A 53 19.170 10.166 13.661 1.00 44.85 C ATOM 720 CE1 HIS A 53 20.539 8.626 14.417 1.00 41.91 C ATOM 721 NE2 HIS A 53 19.837 9.004 13.364 1.00 41.01 N ATOM 722 HA HIS A 53 17.993 10.735 17.303 1.00 0.00 H ATOM 723 HB2 HIS A 53 18.992 12.538 15.143 1.00 0.00 H ATOM 724 HB3 HIS A 53 19.878 11.842 16.520 1.00 0.00 H ATOM 725 HD2 HIS A 53 18.511 10.723 12.995 1.00 0.00 H ATOM 726 HE1 HIS A 53 21.165 7.736 14.480 1.00 0.00 H ATOM 727 H HIS A 53 16.335 11.642 14.952 1.00 0.00 H ATOM 728 N ILE A 54 17.673 12.893 18.511 1.00 39.02 N ATOM 729 CA ILE A 54 17.135 13.964 19.313 1.00 38.97 C ATOM 730 C ILE A 54 18.344 14.593 20.053 1.00 38.24 C ATOM 731 O ILE A 54 19.008 13.934 20.828 1.00 34.82 O ATOM 732 CB ILE A 54 16.045 13.454 20.351 1.00 40.01 C ATOM 733 CG1 ILE A 54 14.842 12.715 19.692 1.00 41.30 C ATOM 734 CG2 ILE A 54 15.505 14.590 21.230 1.00 40.09 C ATOM 735 CD1 ILE A 54 14.079 11.855 20.740 1.00 40.54 C ATOM 736 HA ILE A 54 16.621 14.688 18.681 1.00 0.00 H ATOM 737 HB ILE A 54 16.582 12.734 20.968 1.00 0.00 H ATOM 738 HG12 ILE A 54 14.159 13.451 19.268 1.00 0.00 H ATOM 739 HG13 ILE A 54 15.212 12.066 18.899 1.00 0.00 H ATOM 740 HD11 ILE A 54 14.757 11.114 21.163 1.00 0.00 H ATOM 741 HD12 ILE A 54 13.703 12.501 21.534 1.00 0.00 H ATOM 742 HD13 ILE A 54 13.244 11.350 20.255 1.00 0.00 H ATOM 743 HG21 ILE A 54 16.326 15.035 21.792 1.00 0.00 H ATOM 744 HG22 ILE A 54 15.043 15.348 20.598 1.00 0.00 H ATOM 745 HG23 ILE A 54 14.764 14.191 21.922 1.00 0.00 H ATOM 746 H ILE A 54 18.347 12.223 18.933 1.00 0.00 H ATOM 747 N LYS A 55 18.611 15.866 19.799 1.00 36.44 N ATOM 748 CA LYS A 55 19.723 16.544 20.448 1.00 35.59 C ATOM 749 C LYS A 55 19.389 16.896 21.873 1.00 32.80 C ATOM 750 O LYS A 55 18.236 17.273 22.225 1.00 31.91 O ATOM 751 CB LYS A 55 20.115 17.802 19.712 1.00 37.63 C ATOM 752 CG LYS A 55 20.476 17.466 18.283 1.00 45.69 C ATOM 753 CD LYS A 55 20.734 18.746 17.443 1.00 52.74 C ATOM 754 CE LYS A 55 22.188 19.160 17.645 1.00 58.13 C ATOM 755 NZ LYS A 55 22.810 19.326 16.273 1.00 66.26 N ATOM 756 HA LYS A 55 20.562 15.849 20.433 1.00 0.00 H ATOM 757 HB2 LYS A 55 19.279 18.502 19.720 1.00 0.00 H ATOM 758 HB3 LYS A 55 20.974 18.258 20.205 1.00 0.00 H ATOM 759 HG2 LYS A 55 21.377 16.853 18.280 1.00 0.00 H ATOM 760 HG3 LYS A 55 19.656 16.906 17.833 1.00 0.00 H ATOM 761 HD2 LYS A 55 20.551 18.539 16.388 1.00 0.00 H ATOM 762 HD3 LYS A 55 20.072 19.546 17.775 1.00 0.00 H ATOM 763 HE2 LYS A 55 22.720 18.390 18.204 1.00 0.00 H ATOM 764 HE3 LYS A 55 22.234 20.102 18.191 1.00 0.00 H ATOM 765 HZ1 LYS A 55 22.757 18.424 15.758 1.00 0.00 H ATOM 766 HZ2 LYS A 55 22.293 20.058 15.746 1.00 0.00 H ATOM 767 HZ3 LYS A 55 23.805 19.609 16.377 1.00 0.00 H ATOM 768 H LYS A 55 18.016 16.389 19.125 1.00 0.00 H ATOM 769 N ILE A 56 20.421 16.716 22.691 1.00 31.54 N ATOM 770 CA ILE A 56 20.331 17.004 24.139 1.00 29.27 C ATOM 771 C ILE A 56 21.126 18.307 24.348 1.00 29.38 C ATOM 772 O ILE A 56 22.274 18.382 23.929 1.00 31.12 O ATOM 773 CB ILE A 56 21.006 15.920 24.969 1.00 28.55 C ATOM 774 CG1 ILE A 56 20.193 14.637 24.816 1.00 30.12 C ATOM 775 CG2 ILE A 56 20.929 16.319 26.513 1.00 25.95 C ATOM 776 CD1 ILE A 56 20.909 13.376 25.195 1.00 34.83 C ATOM 777 HA ILE A 56 19.287 17.066 24.444 1.00 0.00 H ATOM 778 HB ILE A 56 22.039 15.798 24.644 1.00 0.00 H ATOM 779 HG12 ILE A 56 19.306 14.723 25.444 1.00 0.00 H ATOM 780 HG13 ILE A 56 19.890 14.552 23.772 1.00 0.00 H ATOM 781 HD11 ILE A 56 21.793 13.259 24.568 1.00 0.00 H ATOM 782 HD12 ILE A 56 21.209 13.430 26.242 1.00 0.00 H ATOM 783 HD13 ILE A 56 20.244 12.525 25.050 1.00 0.00 H ATOM 784 HG21 ILE A 56 21.439 17.270 26.667 1.00 0.00 H ATOM 785 HG22 ILE A 56 19.885 16.413 26.811 1.00 0.00 H ATOM 786 HG23 ILE A 56 21.411 15.546 27.111 1.00 0.00 H ATOM 787 H ILE A 56 21.318 16.362 22.302 1.00 0.00 H ATOM 788 N GLN A 57 20.501 19.308 24.934 1.00 29.42 N ATOM 789 CA GLN A 57 21.237 20.580 25.237 1.00 29.68 C ATOM 790 C GLN A 57 21.910 20.480 26.626 1.00 28.63 C ATOM 791 O GLN A 57 21.260 20.036 27.599 1.00 29.38 O ATOM 792 CB GLN A 57 20.239 21.708 25.306 1.00 30.43 C ATOM 793 CG GLN A 57 20.990 23.102 25.476 1.00 33.44 C ATOM 794 CD GLN A 57 20.040 24.297 25.539 1.00 40.65 C ATOM 795 OE1 GLN A 57 20.452 25.361 25.143 1.00 44.38 O ATOM 796 NE2 GLN A 57 18.792 24.126 26.013 1.00 33.65 N ATOM 797 HA GLN A 57 21.985 20.751 24.463 1.00 0.00 H ATOM 798 HB2 GLN A 57 19.652 21.725 24.388 1.00 0.00 H ATOM 799 HB3 GLN A 57 19.576 21.550 26.157 1.00 0.00 H ATOM 800 HG2 GLN A 57 21.571 23.072 26.398 1.00 0.00 H ATOM 801 HG3 GLN A 57 21.662 23.239 24.629 1.00 0.00 H ATOM 802 HE22 GLN A 57 18.485 23.189 26.343 1.00 0.00 H ATOM 803 HE21 GLN A 57 18.135 24.931 26.050 1.00 0.00 H ATOM 804 H GLN A 57 19.496 19.216 25.187 1.00 0.00 H ATOM 805 N ASN A 58 23.171 20.879 26.742 1.00 28.61 N ATOM 806 CA ASN A 58 23.803 20.977 28.000 1.00 29.35 C ATOM 807 C ASN A 58 24.144 22.489 28.129 1.00 29.91 C ATOM 808 O ASN A 58 24.993 22.942 27.427 1.00 29.57 O ATOM 809 CB ASN A 58 25.117 20.120 28.049 1.00 27.61 C ATOM 810 CG ASN A 58 25.932 20.327 29.381 1.00 32.34 C ATOM 811 OD1 ASN A 58 25.487 21.018 30.371 1.00 35.81 O ATOM 812 ND2 ASN A 58 27.103 19.672 29.450 1.00 37.18 N ATOM 813 HA ASN A 58 23.171 20.607 28.807 1.00 0.00 H ATOM 814 HB2 ASN A 58 24.849 19.067 27.964 1.00 0.00 H ATOM 815 HB3 ASN A 58 25.749 20.402 27.207 1.00 0.00 H ATOM 816 HD22 ASN A 58 27.439 19.121 28.635 1.00 0.00 H ATOM 817 HD21 ASN A 58 27.673 19.716 30.319 1.00 0.00 H ATOM 818 H ASN A 58 23.706 21.125 25.885 1.00 0.00 H ATOM 819 N THR A 59 23.475 23.241 28.998 1.00 30.75 N ATOM 820 CA THR A 59 23.763 24.656 29.054 1.00 31.00 C ATOM 821 C THR A 59 24.877 24.866 30.071 1.00 33.96 C ATOM 822 O THR A 59 25.352 25.982 30.234 1.00 36.52 O ATOM 823 CB THR A 59 22.533 25.489 29.609 1.00 28.85 C ATOM 824 OG1 THR A 59 22.175 24.988 30.904 1.00 29.36 O ATOM 825 CG2 THR A 59 21.319 25.280 28.763 1.00 26.96 C ATOM 826 HA THR A 59 24.014 24.982 28.045 1.00 0.00 H ATOM 827 HB THR A 59 22.829 26.538 29.622 1.00 0.00 H ATOM 828 HG1 THR A 59 21.925 24.033 30.830 1.00 0.00 H ATOM 829 HG23 THR A 59 21.515 25.640 27.753 1.00 0.00 H ATOM 830 HG21 THR A 59 21.079 24.217 28.731 1.00 0.00 H ATOM 831 HG22 THR A 59 20.481 25.831 29.190 1.00 0.00 H ATOM 832 H THR A 59 22.760 22.820 29.624 1.00 0.00 H ATOM 833 N GLY A 60 25.275 23.858 30.822 1.00 34.38 N ATOM 834 CA GLY A 60 26.191 24.143 31.948 1.00 35.11 C ATOM 835 C GLY A 60 25.435 24.324 33.263 1.00 34.14 C ATOM 836 O GLY A 60 26.009 24.106 34.348 1.00 36.44 O ATOM 837 HA3 GLY A 60 26.744 25.056 31.730 1.00 0.00 H ATOM 838 HA2 GLY A 60 26.889 23.313 32.054 1.00 0.00 H ATOM 839 H GLY A 60 24.953 22.888 30.628 1.00 0.00 H ATOM 840 N ASP A 61 24.153 24.693 33.197 1.00 31.09 N ATOM 841 CA ASP A 61 23.295 24.796 34.384 1.00 29.05 C ATOM 842 C ASP A 61 22.278 23.641 34.469 1.00 27.10 C ATOM 843 O ASP A 61 21.732 23.391 35.549 1.00 27.61 O ATOM 844 CB ASP A 61 22.562 26.156 34.435 1.00 29.63 C ATOM 845 CG ASP A 61 23.606 27.334 34.624 1.00 37.12 C ATOM 846 OD1 ASP A 61 24.326 27.253 35.642 1.00 36.43 O ATOM 847 OD2 ASP A 61 23.785 28.196 33.714 1.00 34.27 O ATOM 848 HA ASP A 61 23.955 24.724 35.249 1.00 0.00 H ATOM 849 HB2 ASP A 61 22.015 26.305 33.504 1.00 0.00 H ATOM 850 HB3 ASP A 61 21.862 26.157 35.271 1.00 0.00 H ATOM 851 H ASP A 61 23.746 24.917 32.267 1.00 0.00 H ATOM 852 N TYR A 62 21.999 22.998 33.332 1.00 23.88 N ATOM 853 CA TYR A 62 21.069 21.849 33.364 1.00 23.52 C ATOM 854 C TYR A 62 21.153 21.215 32.021 1.00 22.79 C ATOM 855 O TYR A 62 21.817 21.741 31.049 1.00 23.59 O ATOM 856 CB TYR A 62 19.658 22.339 33.602 1.00 22.56 C ATOM 857 CG TYR A 62 19.165 23.334 32.556 1.00 27.52 C ATOM 858 CD1 TYR A 62 18.700 22.911 31.321 1.00 27.66 C ATOM 859 CD2 TYR A 62 19.200 24.713 32.815 1.00 29.40 C ATOM 860 CE1 TYR A 62 18.183 23.829 30.337 1.00 29.17 C ATOM 861 CE2 TYR A 62 18.749 25.642 31.864 1.00 29.64 C ATOM 862 CZ TYR A 62 18.217 25.208 30.655 1.00 34.42 C ATOM 863 OH TYR A 62 17.791 26.136 29.720 1.00 35.23 O ATOM 864 HA TYR A 62 21.326 21.149 34.159 1.00 0.00 H ATOM 865 HB3 TYR A 62 19.622 22.821 34.579 1.00 0.00 H ATOM 866 HB2 TYR A 62 18.990 21.478 33.599 1.00 0.00 H ATOM 867 HD2 TYR A 62 19.584 25.069 33.771 1.00 0.00 H ATOM 868 HE2 TYR A 62 18.816 26.709 32.075 1.00 0.00 H ATOM 869 HE1 TYR A 62 17.782 23.476 29.387 1.00 0.00 H ATOM 870 HD1 TYR A 62 18.726 21.847 31.085 1.00 0.00 H ATOM 871 HH TYR A 62 17.442 25.664 28.923 1.00 0.00 H ATOM 872 H TYR A 62 22.430 23.302 32.436 1.00 0.00 H ATOM 873 N TYR A 63 20.494 20.060 31.918 1.00 23.77 N ATOM 874 CA TYR A 63 20.391 19.391 30.634 1.00 23.40 C ATOM 875 C TYR A 63 18.894 19.440 30.263 1.00 24.40 C ATOM 876 O TYR A 63 18.031 19.294 31.119 1.00 25.51 O ATOM 877 CB TYR A 63 20.757 17.875 30.721 1.00 21.79 C ATOM 878 CG TYR A 63 22.217 17.602 30.923 1.00 25.46 C ATOM 879 CD1 TYR A 63 22.751 17.655 32.211 1.00 23.57 C ATOM 880 CD2 TYR A 63 23.084 17.347 29.849 1.00 25.54 C ATOM 881 CE1 TYR A 63 24.063 17.398 32.414 1.00 26.77 C ATOM 882 CE2 TYR A 63 24.455 17.130 30.044 1.00 27.26 C ATOM 883 CZ TYR A 63 24.924 17.191 31.357 1.00 25.60 C ATOM 884 OH TYR A 63 26.231 16.917 31.732 1.00 33.31 O ATOM 885 HA TYR A 63 21.064 19.875 29.926 1.00 0.00 H ATOM 886 HB3 TYR A 63 20.445 17.395 29.794 1.00 0.00 H ATOM 887 HB2 TYR A 63 20.209 17.439 31.557 1.00 0.00 H ATOM 888 HD2 TYR A 63 22.681 17.317 28.837 1.00 0.00 H ATOM 889 HE2 TYR A 63 25.124 16.923 29.209 1.00 0.00 H ATOM 890 HE1 TYR A 63 24.447 17.354 33.433 1.00 0.00 H ATOM 891 HD1 TYR A 63 22.109 17.904 33.056 1.00 0.00 H ATOM 892 HH TYR A 63 26.322 17.027 32.712 1.00 0.00 H ATOM 893 H TYR A 63 20.053 19.638 32.760 1.00 0.00 H ATOM 894 N ASP A 64 18.610 19.533 28.982 1.00 24.42 N ATOM 895 CA ASP A 64 17.192 19.405 28.549 1.00 27.57 C ATOM 896 C ASP A 64 17.193 19.032 27.053 1.00 27.78 C ATOM 897 O ASP A 64 18.245 18.794 26.476 1.00 29.02 O ATOM 898 CB ASP A 64 16.348 20.670 28.834 1.00 27.15 C ATOM 899 CG ASP A 64 16.628 21.846 27.831 1.00 34.00 C ATOM 900 OD1 ASP A 64 17.577 21.769 26.964 1.00 36.72 O ATOM 901 OD2 ASP A 64 15.866 22.869 27.926 1.00 37.41 O ATOM 902 HA ASP A 64 16.709 18.622 29.135 1.00 0.00 H ATOM 903 HB2 ASP A 64 15.293 20.404 28.769 1.00 0.00 H ATOM 904 HB3 ASP A 64 16.573 21.015 29.843 1.00 0.00 H ATOM 905 H ASP A 64 19.364 19.693 28.284 1.00 0.00 H ATOM 906 N LEU A 65 16.013 19.017 26.433 1.00 31.16 N ATOM 907 CA LEU A 65 15.917 18.637 25.019 1.00 33.97 C ATOM 908 C LEU A 65 15.648 19.899 24.241 1.00 36.75 C ATOM 909 O LEU A 65 14.783 19.903 23.358 1.00 40.32 O ATOM 910 CB LEU A 65 14.797 17.537 24.811 1.00 33.17 C ATOM 911 CG LEU A 65 15.171 16.217 25.516 1.00 34.24 C ATOM 912 CD1 LEU A 65 14.156 15.088 25.232 1.00 35.64 C ATOM 913 CD2 LEU A 65 16.533 15.659 25.137 1.00 34.08 C ATOM 914 HA LEU A 65 16.842 18.184 24.663 1.00 0.00 H ATOM 915 HB2 LEU A 65 13.857 17.905 25.221 1.00 0.00 H ATOM 916 HB3 LEU A 65 14.677 17.349 23.744 1.00 0.00 H ATOM 917 HG LEU A 65 15.175 16.503 26.568 1.00 0.00 H ATOM 918 HD21 LEU A 65 16.558 15.463 24.065 1.00 0.00 H ATOM 919 HD22 LEU A 65 17.305 16.384 25.393 1.00 0.00 H ATOM 920 HD23 LEU A 65 16.708 14.731 25.682 1.00 0.00 H ATOM 921 HD11 LEU A 65 13.170 15.390 25.585 1.00 0.00 H ATOM 922 HD12 LEU A 65 14.117 14.898 24.159 1.00 0.00 H ATOM 923 HD13 LEU A 65 14.467 14.182 25.752 1.00 0.00 H ATOM 924 H LEU A 65 15.153 19.277 26.956 1.00 0.00 H ATOM 925 N TYR A 66 16.381 20.969 24.557 1.00 37.79 N ATOM 926 CA TYR A 66 16.113 22.301 23.973 1.00 38.84 C ATOM 927 C TYR A 66 14.676 22.659 24.253 1.00 40.60 C ATOM 928 O TYR A 66 14.001 23.100 23.374 1.00 42.93 O ATOM 929 CB TYR A 66 16.382 22.335 22.469 1.00 38.97 C ATOM 930 CG TYR A 66 17.834 22.276 22.161 1.00 39.41 C ATOM 931 CD1 TYR A 66 18.469 21.049 21.905 1.00 39.48 C ATOM 932 CD2 TYR A 66 18.615 23.453 22.157 1.00 40.45 C ATOM 933 CE1 TYR A 66 19.854 21.012 21.624 1.00 38.46 C ATOM 934 CE2 TYR A 66 19.991 23.408 21.920 1.00 43.03 C ATOM 935 CZ TYR A 66 20.580 22.181 21.660 1.00 43.02 C ATOM 936 OH TYR A 66 21.903 22.082 21.421 1.00 45.06 O ATOM 937 HA TYR A 66 16.787 23.026 24.429 1.00 0.00 H ATOM 938 HB3 TYR A 66 15.972 23.258 22.059 1.00 0.00 H ATOM 939 HB2 TYR A 66 15.888 21.482 22.004 1.00 0.00 H ATOM 940 HD2 TYR A 66 18.135 24.414 22.342 1.00 0.00 H ATOM 941 HE2 TYR A 66 20.589 24.319 21.939 1.00 0.00 H ATOM 942 HE1 TYR A 66 20.342 20.068 21.381 1.00 0.00 H ATOM 943 HD1 TYR A 66 17.893 20.124 21.923 1.00 0.00 H ATOM 944 HH TYR A 66 22.138 21.134 21.258 1.00 0.00 H ATOM 945 H TYR A 66 17.164 20.863 25.234 1.00 0.00 H ATOM 946 N GLY A 67 14.179 22.413 25.451 1.00 40.84 N ATOM 947 CA GLY A 67 12.768 22.591 25.775 1.00 40.47 C ATOM 948 C GLY A 67 12.360 21.531 26.790 1.00 41.22 C ATOM 949 O GLY A 67 13.076 20.538 26.994 1.00 41.24 O ATOM 950 HA3 GLY A 67 12.168 22.484 24.871 1.00 0.00 H ATOM 951 HA2 GLY A 67 12.611 23.583 26.198 1.00 0.00 H ATOM 952 H GLY A 67 14.822 22.078 26.197 1.00 0.00 H ATOM 953 N GLY A 68 11.225 21.731 27.465 1.00 41.95 N ATOM 954 CA GLY A 68 10.697 20.710 28.377 1.00 40.07 C ATOM 955 C GLY A 68 11.412 20.749 29.736 1.00 39.14 C ATOM 956 O GLY A 68 12.123 21.701 30.026 1.00 39.29 O ATOM 957 HA3 GLY A 68 10.839 19.726 27.929 1.00 0.00 H ATOM 958 HA2 GLY A 68 9.633 20.888 28.531 1.00 0.00 H ATOM 959 H GLY A 68 10.707 22.625 27.342 1.00 0.00 H ATOM 960 N GLU A 69 11.254 19.688 30.522 1.00 38.01 N ATOM 961 CA GLU A 69 11.797 19.585 31.851 1.00 38.14 C ATOM 962 C GLU A 69 13.355 19.690 31.855 1.00 33.03 C ATOM 963 O GLU A 69 14.008 19.263 30.919 1.00 32.13 O ATOM 964 CB GLU A 69 11.301 18.282 32.467 1.00 40.37 C ATOM 965 CG GLU A 69 11.934 18.001 33.823 1.00 50.86 C ATOM 966 CD GLU A 69 10.951 18.099 34.938 1.00 64.15 C ATOM 967 OE1 GLU A 69 9.840 18.648 34.664 1.00 67.59 O ATOM 968 OE2 GLU A 69 11.274 17.583 36.051 1.00 68.82 O ATOM 969 HA GLU A 69 11.452 20.423 32.456 1.00 0.00 H ATOM 970 HB2 GLU A 69 10.220 18.343 32.591 1.00 0.00 H ATOM 971 HB3 GLU A 69 11.542 17.461 31.791 1.00 0.00 H ATOM 972 HG2 GLU A 69 12.353 16.995 33.813 1.00 0.00 H ATOM 973 HG3 GLU A 69 12.732 18.724 33.994 1.00 0.00 H ATOM 974 H GLU A 69 10.705 18.885 30.154 1.00 0.00 H ATOM 975 N LYS A 70 13.900 20.311 32.900 1.00 30.32 N ATOM 976 CA LYS A 70 15.332 20.506 33.092 1.00 28.95 C ATOM 977 C LYS A 70 15.885 19.523 34.112 1.00 26.73 C ATOM 978 O LYS A 70 15.220 19.220 35.087 1.00 28.53 O ATOM 979 CB LYS A 70 15.550 21.925 33.609 1.00 28.89 C ATOM 980 CG LYS A 70 15.142 23.004 32.637 1.00 32.67 C ATOM 981 CD LYS A 70 15.261 24.376 33.384 1.00 36.65 C ATOM 982 CE LYS A 70 15.215 25.532 32.382 1.00 41.45 C ATOM 983 NZ LYS A 70 14.080 25.515 31.354 1.00 41.05 N ATOM 984 HA LYS A 70 15.846 20.344 32.144 1.00 0.00 H ATOM 985 HB2 LYS A 70 14.969 22.050 34.523 1.00 0.00 H ATOM 986 HB3 LYS A 70 16.609 22.049 33.834 1.00 0.00 H ATOM 987 HG2 LYS A 70 15.802 22.993 31.769 1.00 0.00 H ATOM 988 HG3 LYS A 70 14.114 22.844 32.312 1.00 0.00 H ATOM 989 HD2 LYS A 70 14.434 24.476 34.087 1.00 0.00 H ATOM 990 HD3 LYS A 70 16.205 24.409 33.928 1.00 0.00 H ATOM 991 HE2 LYS A 70 16.157 25.530 31.833 1.00 0.00 H ATOM 992 HE3 LYS A 70 15.130 26.458 32.951 1.00 0.00 H ATOM 993 HZ1 LYS A 70 14.146 24.650 30.781 1.00 0.00 H ATOM 994 HZ2 LYS A 70 13.165 25.536 31.849 1.00 0.00 H ATOM 995 HZ3 LYS A 70 14.161 26.348 30.737 1.00 0.00 H ATOM 996 H LYS A 70 13.259 20.683 33.630 1.00 0.00 H ATOM 997 N PHE A 71 17.109 19.027 33.871 1.00 24.21 N ATOM 998 CA PHE A 71 17.696 17.939 34.676 1.00 24.60 C ATOM 999 C PHE A 71 19.112 18.346 35.089 1.00 24.98 C ATOM 1000 O PHE A 71 19.752 19.042 34.349 1.00 22.92 O ATOM 1001 CB PHE A 71 17.747 16.626 33.867 1.00 25.08 C ATOM 1002 CG PHE A 71 16.374 16.236 33.385 1.00 28.92 C ATOM 1003 CD1 PHE A 71 15.478 15.668 34.267 1.00 29.53 C ATOM 1004 CD2 PHE A 71 15.951 16.553 32.102 1.00 28.71 C ATOM 1005 CE1 PHE A 71 14.167 15.325 33.817 1.00 30.76 C ATOM 1006 CE2 PHE A 71 14.642 16.220 31.669 1.00 32.40 C ATOM 1007 CZ PHE A 71 13.785 15.614 32.524 1.00 30.12 C ATOM 1008 HA PHE A 71 17.078 17.771 35.558 1.00 0.00 H ATOM 1009 HB2 PHE A 71 18.402 16.762 33.006 1.00 0.00 H ATOM 1010 HB3 PHE A 71 18.142 15.832 34.500 1.00 0.00 H ATOM 1011 HD2 PHE A 71 16.631 17.063 31.420 1.00 0.00 H ATOM 1012 HE2 PHE A 71 14.327 16.451 30.651 1.00 0.00 H ATOM 1013 HZ PHE A 71 12.782 15.352 32.187 1.00 0.00 H ATOM 1014 HE1 PHE A 71 13.469 14.835 34.495 1.00 0.00 H ATOM 1015 HD1 PHE A 71 15.769 15.482 35.301 1.00 0.00 H ATOM 1016 H PHE A 71 17.665 19.425 33.087 1.00 0.00 H ATOM 1017 N ALA A 72 19.584 17.866 36.244 1.00 22.23 N ATOM 1018 CA ALA A 72 20.965 18.190 36.645 1.00 23.65 C ATOM 1019 C ALA A 72 21.922 17.274 35.911 1.00 25.01 C ATOM 1020 O ALA A 72 23.043 17.638 35.751 1.00 23.78 O ATOM 1021 CB ALA A 72 21.138 17.961 38.144 1.00 22.75 C ATOM 1022 HA ALA A 72 21.170 19.233 36.404 1.00 0.00 H ATOM 1023 HB1 ALA A 72 20.445 18.601 38.690 1.00 0.00 H ATOM 1024 HB2 ALA A 72 20.931 16.916 38.377 1.00 0.00 H ATOM 1025 HB3 ALA A 72 22.161 18.203 38.431 1.00 0.00 H ATOM 1026 H ALA A 72 18.985 17.272 36.852 1.00 0.00 H ATOM 1027 N THR A 73 21.489 16.022 35.553 1.00 23.93 N ATOM 1028 CA THR A 73 22.439 15.087 34.890 1.00 24.21 C ATOM 1029 C THR A 73 21.805 14.430 33.694 1.00 23.90 C ATOM 1030 O THR A 73 20.563 14.394 33.542 1.00 22.35 O ATOM 1031 CB THR A 73 22.924 13.914 35.799 1.00 25.97 C ATOM 1032 OG1 THR A 73 21.793 13.093 36.143 1.00 26.41 O ATOM 1033 CG2 THR A 73 23.579 14.461 37.113 1.00 24.53 C ATOM 1034 HA THR A 73 23.286 15.720 34.627 1.00 0.00 H ATOM 1035 HB THR A 73 23.668 13.332 35.255 1.00 0.00 H ATOM 1036 HG1 THR A 73 22.092 12.346 36.720 1.00 0.00 H ATOM 1037 HG23 THR A 73 24.436 15.084 36.858 1.00 0.00 H ATOM 1038 HG21 THR A 73 22.848 15.054 37.662 1.00 0.00 H ATOM 1039 HG22 THR A 73 23.907 13.624 37.730 1.00 0.00 H ATOM 1040 H THR A 73 20.509 15.730 35.743 1.00 0.00 H ATOM 1041 N LEU A 74 22.643 13.895 32.829 1.00 25.70 N ATOM 1042 CA LEU A 74 22.075 13.231 31.610 1.00 26.17 C ATOM 1043 C LEU A 74 21.349 11.947 32.014 1.00 26.10 C ATOM 1044 O LEU A 74 20.330 11.627 31.419 1.00 26.34 O ATOM 1045 CB LEU A 74 23.228 12.875 30.718 1.00 28.73 C ATOM 1046 CG LEU A 74 22.953 12.093 29.459 1.00 35.23 C ATOM 1047 CD1 LEU A 74 21.889 12.913 28.659 1.00 38.16 C ATOM 1048 CD2 LEU A 74 24.290 12.059 28.685 1.00 38.59 C ATOM 1049 HA LEU A 74 21.372 13.894 31.106 1.00 0.00 H ATOM 1050 HB2 LEU A 74 23.703 13.809 30.419 1.00 0.00 H ATOM 1051 HB3 LEU A 74 23.927 12.288 31.315 1.00 0.00 H ATOM 1052 HG LEU A 74 22.589 11.081 29.635 1.00 0.00 H ATOM 1053 HD21 LEU A 74 24.603 13.078 28.458 1.00 0.00 H ATOM 1054 HD22 LEU A 74 25.050 11.572 29.296 1.00 0.00 H ATOM 1055 HD23 LEU A 74 24.157 11.503 27.757 1.00 0.00 H ATOM 1056 HD11 LEU A 74 20.986 13.019 29.260 1.00 0.00 H ATOM 1057 HD12 LEU A 74 22.291 13.900 28.428 1.00 0.00 H ATOM 1058 HD13 LEU A 74 21.651 12.390 27.733 1.00 0.00 H ATOM 1059 H LEU A 74 23.670 13.932 32.987 1.00 0.00 H ATOM 1060 N ALA A 75 21.879 11.156 32.984 1.00 24.58 N ATOM 1061 CA ALA A 75 21.197 9.923 33.405 1.00 26.05 C ATOM 1062 C ALA A 75 19.797 10.227 33.949 1.00 26.57 C ATOM 1063 O ALA A 75 18.834 9.494 33.728 1.00 26.72 O ATOM 1064 CB ALA A 75 22.037 9.184 34.530 1.00 25.39 C ATOM 1065 HA ALA A 75 21.107 9.280 32.529 1.00 0.00 H ATOM 1066 HB1 ALA A 75 23.022 8.930 34.138 1.00 0.00 H ATOM 1067 HB2 ALA A 75 22.146 9.842 35.392 1.00 0.00 H ATOM 1068 HB3 ALA A 75 21.518 8.274 34.830 1.00 0.00 H ATOM 1069 H ALA A 75 22.777 11.426 33.434 1.00 0.00 H ATOM 1070 N GLU A 76 19.641 11.330 34.666 1.00 26.66 N ATOM 1071 CA GLU A 76 18.325 11.665 35.259 1.00 25.90 C ATOM 1072 C GLU A 76 17.347 12.092 34.087 1.00 25.95 C ATOM 1073 O GLU A 76 16.149 11.804 34.099 1.00 23.70 O ATOM 1074 CB GLU A 76 18.482 12.821 36.286 1.00 29.26 C ATOM 1075 CG GLU A 76 17.169 13.397 36.794 1.00 36.07 C ATOM 1076 CD GLU A 76 17.178 14.977 37.145 1.00 46.85 C ATOM 1077 OE1 GLU A 76 18.197 15.692 37.508 1.00 32.37 O ATOM 1078 OE2 GLU A 76 16.042 15.502 37.013 1.00 54.01 O ATOM 1079 HA GLU A 76 17.917 10.802 35.784 1.00 0.00 H ATOM 1080 HB2 GLU A 76 19.042 12.443 37.141 1.00 0.00 H ATOM 1081 HB3 GLU A 76 19.045 13.624 35.811 1.00 0.00 H ATOM 1082 HG2 GLU A 76 16.412 13.229 36.028 1.00 0.00 H ATOM 1083 HG3 GLU A 76 16.894 12.855 37.699 1.00 0.00 H ATOM 1084 H GLU A 76 20.450 11.967 34.814 1.00 0.00 H ATOM 1085 N LEU A 77 17.853 12.739 33.075 1.00 23.84 N ATOM 1086 CA LEU A 77 17.017 13.107 31.904 1.00 24.85 C ATOM 1087 C LEU A 77 16.547 11.792 31.242 1.00 23.78 C ATOM 1088 O LEU A 77 15.369 11.595 30.961 1.00 24.43 O ATOM 1089 CB LEU A 77 17.883 13.879 30.893 1.00 24.12 C ATOM 1090 CG LEU A 77 17.214 14.321 29.547 1.00 29.56 C ATOM 1091 CD1 LEU A 77 17.928 15.604 28.981 1.00 25.67 C ATOM 1092 CD2 LEU A 77 17.176 13.245 28.410 1.00 25.00 C ATOM 1093 HA LEU A 77 16.171 13.722 32.210 1.00 0.00 H ATOM 1094 HB2 LEU A 77 18.239 14.781 31.391 1.00 0.00 H ATOM 1095 HB3 LEU A 77 18.733 13.245 30.641 1.00 0.00 H ATOM 1096 HG LEU A 77 16.176 14.508 29.822 1.00 0.00 H ATOM 1097 HD21 LEU A 77 18.194 12.948 28.158 1.00 0.00 H ATOM 1098 HD22 LEU A 77 16.617 12.375 28.754 1.00 0.00 H ATOM 1099 HD23 LEU A 77 16.690 13.666 27.529 1.00 0.00 H ATOM 1100 HD11 LEU A 77 17.844 16.414 29.705 1.00 0.00 H ATOM 1101 HD12 LEU A 77 18.980 15.383 28.802 1.00 0.00 H ATOM 1102 HD13 LEU A 77 17.453 15.900 28.046 1.00 0.00 H ATOM 1103 H LEU A 77 18.859 13.002 33.088 1.00 0.00 H ATOM 1104 N VAL A 78 17.487 10.874 31.020 1.00 24.03 N ATOM 1105 CA VAL A 78 17.122 9.583 30.385 1.00 26.77 C ATOM 1106 C VAL A 78 16.111 8.845 31.214 1.00 26.89 C ATOM 1107 O VAL A 78 15.083 8.385 30.690 1.00 26.31 O ATOM 1108 CB VAL A 78 18.367 8.728 30.037 1.00 28.80 C ATOM 1109 CG1 VAL A 78 17.918 7.282 29.526 1.00 30.74 C ATOM 1110 CG2 VAL A 78 19.177 9.493 28.928 1.00 24.75 C ATOM 1111 HA VAL A 78 16.646 9.802 29.429 1.00 0.00 H ATOM 1112 HB VAL A 78 18.993 8.581 30.917 1.00 0.00 H ATOM 1113 HG11 VAL A 78 17.349 6.782 30.309 1.00 0.00 H ATOM 1114 HG12 VAL A 78 17.298 7.389 28.636 1.00 0.00 H ATOM 1115 HG13 VAL A 78 18.803 6.692 29.285 1.00 0.00 H ATOM 1116 HG21 VAL A 78 18.549 9.625 28.047 1.00 0.00 H ATOM 1117 HG22 VAL A 78 19.480 10.468 29.309 1.00 0.00 H ATOM 1118 HG23 VAL A 78 20.061 8.914 28.662 1.00 0.00 H ATOM 1119 H VAL A 78 18.473 11.062 31.291 1.00 0.00 H ATOM 1120 N GLN A 79 16.379 8.729 32.504 1.00 26.79 N ATOM 1121 CA GLN A 79 15.447 8.079 33.393 1.00 29.01 C ATOM 1122 C GLN A 79 14.044 8.705 33.316 1.00 29.21 C ATOM 1123 O GLN A 79 13.013 8.005 33.272 1.00 29.15 O ATOM 1124 CB GLN A 79 15.980 8.078 34.857 1.00 31.49 C ATOM 1125 CG GLN A 79 14.932 7.403 35.735 1.00 42.00 C ATOM 1126 CD GLN A 79 15.271 7.293 37.208 1.00 54.10 C ATOM 1127 OE1 GLN A 79 16.070 8.066 37.765 1.00 57.33 O ATOM 1128 NE2 GLN A 79 14.582 6.362 37.880 1.00 60.04 N ATOM 1129 HA GLN A 79 15.355 7.044 33.063 1.00 0.00 H ATOM 1130 HB2 GLN A 79 16.919 7.527 34.910 1.00 0.00 H ATOM 1131 HB3 GLN A 79 16.142 9.102 35.193 1.00 0.00 H ATOM 1132 HG2 GLN A 79 14.006 7.972 35.647 1.00 0.00 H ATOM 1133 HG3 GLN A 79 14.775 6.395 35.352 1.00 0.00 H ATOM 1134 HE22 GLN A 79 13.924 5.736 37.374 1.00 0.00 H ATOM 1135 HE21 GLN A 79 14.705 6.265 38.908 1.00 0.00 H ATOM 1136 H GLN A 79 17.270 9.110 32.881 1.00 0.00 H ATOM 1137 N TYR A 80 13.963 10.042 33.309 1.00 27.70 N ATOM 1138 CA TYR A 80 12.690 10.696 33.365 1.00 28.16 C ATOM 1139 C TYR A 80 11.879 10.336 32.086 1.00 28.13 C ATOM 1140 O TYR A 80 10.676 10.044 32.170 1.00 28.87 O ATOM 1141 CB TYR A 80 12.899 12.212 33.358 1.00 29.71 C ATOM 1142 CG TYR A 80 11.597 12.974 33.261 1.00 30.14 C ATOM 1143 CD1 TYR A 80 11.085 13.330 31.996 1.00 33.41 C ATOM 1144 CD2 TYR A 80 10.937 13.409 34.413 1.00 32.35 C ATOM 1145 CE1 TYR A 80 9.936 14.028 31.879 1.00 33.29 C ATOM 1146 CE2 TYR A 80 9.721 14.137 34.327 1.00 35.48 C ATOM 1147 CZ TYR A 80 9.260 14.418 33.043 1.00 39.79 C ATOM 1148 OH TYR A 80 8.132 15.101 32.862 1.00 44.05 O ATOM 1149 HA TYR A 80 12.165 10.381 34.266 1.00 0.00 H ATOM 1150 HB3 TYR A 80 13.523 12.475 32.504 1.00 0.00 H ATOM 1151 HB2 TYR A 80 13.405 12.500 34.279 1.00 0.00 H ATOM 1152 HD2 TYR A 80 11.362 13.186 35.392 1.00 0.00 H ATOM 1153 HE2 TYR A 80 9.178 14.458 35.216 1.00 0.00 H ATOM 1154 HE1 TYR A 80 9.541 14.284 30.896 1.00 0.00 H ATOM 1155 HD1 TYR A 80 11.627 13.036 31.097 1.00 0.00 H ATOM 1156 HH TYR A 80 7.963 15.205 31.892 1.00 0.00 H ATOM 1157 H TYR A 80 14.833 10.611 33.262 1.00 0.00 H ATOM 1158 N TYR A 81 12.527 10.356 30.930 1.00 26.31 N ATOM 1159 CA TYR A 81 11.776 10.041 29.688 1.00 29.42 C ATOM 1160 C TYR A 81 11.472 8.536 29.538 1.00 29.45 C ATOM 1161 O TYR A 81 10.475 8.213 28.877 1.00 34.34 O ATOM 1162 CB TYR A 81 12.437 10.618 28.473 1.00 27.65 C ATOM 1163 CG TYR A 81 12.253 12.122 28.442 1.00 31.17 C ATOM 1164 CD1 TYR A 81 10.986 12.667 28.264 1.00 31.10 C ATOM 1165 CD2 TYR A 81 13.363 12.989 28.599 1.00 28.88 C ATOM 1166 CE1 TYR A 81 10.806 14.027 28.215 1.00 35.49 C ATOM 1167 CE2 TYR A 81 13.188 14.402 28.576 1.00 29.65 C ATOM 1168 CZ TYR A 81 11.923 14.898 28.371 1.00 32.86 C ATOM 1169 OH TYR A 81 11.703 16.238 28.328 1.00 35.89 O ATOM 1170 HA TYR A 81 10.806 10.530 29.781 1.00 0.00 H ATOM 1171 HB3 TYR A 81 11.991 10.182 27.579 1.00 0.00 H ATOM 1172 HB2 TYR A 81 13.502 10.386 28.497 1.00 0.00 H ATOM 1173 HD2 TYR A 81 14.360 12.570 28.739 1.00 0.00 H ATOM 1174 HE2 TYR A 81 14.035 15.073 28.717 1.00 0.00 H ATOM 1175 HE1 TYR A 81 9.810 14.440 28.057 1.00 0.00 H ATOM 1176 HD1 TYR A 81 10.125 12.006 28.162 1.00 0.00 H ATOM 1177 HH TYR A 81 10.740 16.408 28.173 1.00 0.00 H ATOM 1178 H TYR A 81 13.540 10.587 30.893 1.00 0.00 H ATOM 1179 N MET A 82 12.253 7.651 30.169 1.00 29.02 N ATOM 1180 CA MET A 82 11.921 6.211 30.178 1.00 31.92 C ATOM 1181 C MET A 82 10.695 5.993 31.088 1.00 34.51 C ATOM 1182 O MET A 82 9.933 5.050 30.875 1.00 34.76 O ATOM 1183 CB MET A 82 13.047 5.344 30.735 1.00 32.25 C ATOM 1184 CG MET A 82 14.213 5.258 29.826 1.00 32.60 C ATOM 1185 SD MET A 82 15.427 4.115 30.521 1.00 39.62 S ATOM 1186 CE MET A 82 14.485 2.570 30.515 1.00 37.10 C ATOM 1187 HA MET A 82 11.738 5.922 29.143 1.00 0.00 H ATOM 1188 HB2 MET A 82 13.376 5.768 31.684 1.00 0.00 H ATOM 1189 HB3 MET A 82 12.661 4.338 30.902 1.00 0.00 H ATOM 1190 HG2 MET A 82 14.663 6.245 29.715 1.00 0.00 H ATOM 1191 HG3 MET A 82 13.889 4.897 28.850 1.00 0.00 H ATOM 1192 HE1 MET A 82 13.593 2.687 31.131 1.00 0.00 H ATOM 1193 HE2 MET A 82 14.193 2.328 29.493 1.00 0.00 H ATOM 1194 HE3 MET A 82 15.103 1.767 30.917 1.00 0.00 H ATOM 1195 H MET A 82 13.107 7.982 30.661 1.00 0.00 H ATOM 1196 N GLU A 83 10.522 6.834 32.114 1.00 33.62 N ATOM 1197 CA GLU A 83 9.408 6.707 33.052 1.00 36.27 C ATOM 1198 C GLU A 83 8.137 7.432 32.629 1.00 37.56 C ATOM 1199 O GLU A 83 7.082 7.174 33.184 1.00 39.23 O ATOM 1200 CB GLU A 83 9.797 7.188 34.452 1.00 36.87 C ATOM 1201 CG GLU A 83 10.840 6.271 35.153 1.00 40.84 C ATOM 1202 CD GLU A 83 11.227 6.799 36.574 1.00 48.59 C ATOM 1203 OE1 GLU A 83 10.891 7.972 36.903 1.00 51.71 O ATOM 1204 OE2 GLU A 83 11.842 6.045 37.363 1.00 50.80 O ATOM 1205 HA GLU A 83 9.187 5.640 33.058 1.00 0.00 H ATOM 1206 HB2 GLU A 83 10.218 8.190 34.369 1.00 0.00 H ATOM 1207 HB3 GLU A 83 8.898 7.223 35.068 1.00 0.00 H ATOM 1208 HG2 GLU A 83 10.419 5.271 35.252 1.00 0.00 H ATOM 1209 HG3 GLU A 83 11.739 6.226 34.538 1.00 0.00 H ATOM 1210 H GLU A 83 11.205 7.606 32.249 1.00 0.00 H ATOM 1211 N HIS A 84 8.249 8.388 31.725 1.00 37.01 N ATOM 1212 CA HIS A 84 7.125 9.287 31.409 1.00 41.39 C ATOM 1213 C HIS A 84 6.986 9.180 29.885 1.00 43.42 C ATOM 1214 O HIS A 84 7.488 10.008 29.130 1.00 42.72 O ATOM 1215 CB HIS A 84 7.305 10.753 31.872 1.00 40.11 C ATOM 1216 CG HIS A 84 7.457 10.935 33.360 1.00 41.91 C ATOM 1217 ND1 HIS A 84 8.646 10.696 34.014 1.00 38.24 N ATOM 1218 CD2 HIS A 84 6.594 11.383 34.313 1.00 44.51 C ATOM 1219 CE1 HIS A 84 8.506 10.962 35.310 1.00 44.01 C ATOM 1220 NE2 HIS A 84 7.275 11.394 35.513 1.00 46.46 N ATOM 1221 HA HIS A 84 6.231 8.984 31.953 1.00 0.00 H ATOM 1222 HB2 HIS A 84 8.196 11.154 31.389 1.00 0.00 H ATOM 1223 HB3 HIS A 84 6.432 11.320 31.549 1.00 0.00 H ATOM 1224 HD2 HIS A 84 5.557 11.678 34.157 1.00 0.00 H ATOM 1225 HE1 HIS A 84 9.275 10.844 36.073 1.00 0.00 H ATOM 1226 H HIS A 84 9.152 8.509 31.224 1.00 0.00 H ATOM 1227 N HIS A 85 6.261 8.141 29.455 1.00 56.56 N ATOM 1228 CA HIS A 85 6.209 7.736 28.040 1.00 62.74 C ATOM 1229 C HIS A 85 5.455 8.685 27.114 1.00 64.82 C ATOM 1230 O HIS A 85 5.568 8.552 25.884 1.00 67.78 O ATOM 1231 CB HIS A 85 5.667 6.324 27.903 1.00 72.35 C ATOM 1232 CG HIS A 85 6.688 5.247 28.136 1.00 77.13 C ATOM 1233 ND1 HIS A 85 8.048 5.461 28.049 1.00 71.68 N ATOM 1234 CD2 HIS A 85 6.536 3.920 28.398 1.00 87.84 C ATOM 1235 CE1 HIS A 85 8.687 4.322 28.286 1.00 78.33 C ATOM 1236 NE2 HIS A 85 7.794 3.374 28.502 1.00 85.78 N ATOM 1237 HA HIS A 85 7.246 7.777 27.705 1.00 0.00 H ATOM 1238 HB2 HIS A 85 4.862 6.195 28.627 1.00 0.00 H ATOM 1239 HB3 HIS A 85 5.270 6.206 26.895 1.00 0.00 H ATOM 1240 HD2 HIS A 85 5.591 3.388 28.506 1.00 0.00 H ATOM 1241 HE1 HIS A 85 9.769 4.191 28.300 1.00 0.00 H ATOM 1242 H HIS A 85 5.711 7.596 30.149 1.00 0.00 H ATOM 1243 N GLY A 86 4.695 9.629 27.676 1.00 64.88 N ATOM 1244 CA GLY A 86 3.899 10.532 26.845 1.00 68.98 C ATOM 1245 C GLY A 86 4.508 11.908 26.617 1.00 65.16 C ATOM 1246 O GLY A 86 3.959 12.703 25.863 1.00 67.51 O ATOM 1247 HA3 GLY A 86 2.930 10.667 27.326 1.00 0.00 H ATOM 1248 HA2 GLY A 86 3.758 10.060 25.873 1.00 0.00 H ATOM 1249 H GLY A 86 4.669 9.723 28.711 1.00 0.00 H ATOM 1250 N GLN A 87 5.660 12.161 27.226 1.00 60.38 N ATOM 1251 CA GLN A 87 6.211 13.522 27.418 1.00 60.50 C ATOM 1252 C GLN A 87 7.142 13.963 26.312 1.00 59.47 C ATOM 1253 O GLN A 87 7.547 15.104 26.272 1.00 59.30 O ATOM 1254 CB GLN A 87 7.030 13.563 28.704 1.00 58.29 C ATOM 1255 CG GLN A 87 6.240 13.771 29.935 1.00 63.36 C ATOM 1256 CD GLN A 87 5.060 14.606 29.676 1.00 71.31 C ATOM 1257 OE1 GLN A 87 5.134 15.829 29.766 1.00 78.46 O ATOM 1258 NE2 GLN A 87 3.935 13.967 29.316 1.00 76.68 N ATOM 1259 HA GLN A 87 5.347 14.186 27.438 1.00 0.00 H ATOM 1260 HB2 GLN A 87 7.562 12.616 28.798 1.00 0.00 H ATOM 1261 HB3 GLN A 87 7.751 14.377 28.622 1.00 0.00 H ATOM 1262 HG2 GLN A 87 5.914 12.803 30.316 1.00 0.00 H ATOM 1263 HG3 GLN A 87 6.866 14.261 30.681 1.00 0.00 H ATOM 1264 HE22 GLN A 87 3.924 12.929 29.254 1.00 0.00 H ATOM 1265 HE21 GLN A 87 3.075 14.510 29.099 1.00 0.00 H ATOM 1266 H GLN A 87 6.208 11.356 27.590 1.00 0.00 H ATOM 1267 N LEU A 88 7.540 13.022 25.461 1.00 59.07 N ATOM 1268 CA LEU A 88 8.475 13.287 24.403 1.00 58.87 C ATOM 1269 C LEU A 88 7.753 13.232 23.082 1.00 61.75 C ATOM 1270 O LEU A 88 7.471 12.175 22.544 1.00 63.72 O ATOM 1271 CB LEU A 88 9.575 12.246 24.488 1.00 58.32 C ATOM 1272 CG LEU A 88 10.832 12.516 23.714 1.00 58.17 C ATOM 1273 CD1 LEU A 88 11.284 13.768 24.161 1.00 56.66 C ATOM 1274 CD2 LEU A 88 11.828 11.470 24.110 1.00 58.74 C ATOM 1275 HA LEU A 88 8.918 14.279 24.495 1.00 0.00 H ATOM 1276 HB2 LEU A 88 9.851 12.144 25.538 1.00 0.00 H ATOM 1277 HB3 LEU A 88 9.164 11.303 24.128 1.00 0.00 H ATOM 1278 HG LEU A 88 10.685 12.503 22.634 1.00 0.00 H ATOM 1279 HD21 LEU A 88 12.015 11.535 25.182 1.00 0.00 H ATOM 1280 HD22 LEU A 88 11.432 10.483 23.869 1.00 0.00 H ATOM 1281 HD23 LEU A 88 12.759 11.632 23.567 1.00 0.00 H ATOM 1282 HD11 LEU A 88 10.522 14.521 23.960 1.00 0.00 H ATOM 1283 HD12 LEU A 88 11.477 13.722 25.233 1.00 0.00 H ATOM 1284 HD13 LEU A 88 12.203 14.030 23.636 1.00 0.00 H ATOM 1285 H LEU A 88 7.161 12.059 25.565 1.00 0.00 H ATOM 1286 N LYS A 89 7.403 14.389 22.572 1.00 66.25 N ATOM 1287 CA LYS A 89 6.451 14.493 21.425 1.00 71.86 C ATOM 1288 C LYS A 89 6.972 15.405 20.287 1.00 73.89 C ATOM 1289 O LYS A 89 7.593 16.430 20.555 1.00 72.73 O ATOM 1290 CB LYS A 89 5.036 14.933 21.895 1.00 76.54 C ATOM 1291 HA LYS A 89 6.372 13.490 21.006 1.00 0.00 H ATOM 1292 HB2 LYS A 89 4.646 14.201 22.602 1.00 0.00 H ATOM 1293 HB3 LYS A 89 5.102 15.908 22.378 1.00 0.00 H ATOM 1294 H LYS A 89 7.800 15.260 22.978 1.00 0.00 H ATOM 1295 N GLU A 90 6.742 14.995 19.032 1.00 78.13 N ATOM 1296 CA GLU A 90 7.204 15.745 17.846 1.00 81.41 C ATOM 1297 C GLU A 90 6.434 17.058 17.563 1.00 85.96 C ATOM 1298 O GLU A 90 5.450 17.375 18.256 1.00 89.92 O ATOM 1299 CB GLU A 90 7.211 14.843 16.603 1.00 83.30 C ATOM 1300 CG GLU A 90 8.516 14.062 16.448 1.00 86.07 C ATOM 1301 CD GLU A 90 8.475 13.021 15.337 1.00 95.31 C ATOM 1302 OE1 GLU A 90 7.397 12.416 15.129 1.00101.45 O ATOM 1303 OE2 GLU A 90 9.523 12.791 14.680 1.00 98.63 O ATOM 1304 HA GLU A 90 8.221 16.057 18.085 1.00 0.00 H ATOM 1305 HB2 GLU A 90 6.387 14.134 16.682 1.00 0.00 H ATOM 1306 HB3 GLU A 90 7.070 15.465 15.719 1.00 0.00 H ATOM 1307 HG2 GLU A 90 9.317 14.768 16.229 1.00 0.00 H ATOM 1308 HG3 GLU A 90 8.728 13.554 17.389 1.00 0.00 H ATOM 1309 H GLU A 90 6.215 14.110 18.887 1.00 0.00 H ATOM 1310 N LYS A 91 6.900 17.823 16.567 1.00 86.66 N ATOM 1311 CA LYS A 91 6.188 19.035 16.097 1.00 90.82 C ATOM 1312 C LYS A 91 4.760 18.638 15.759 1.00 90.81 C ATOM 1313 O LYS A 91 3.826 19.273 16.233 1.00 92.56 O ATOM 1314 CB LYS A 91 6.874 19.684 14.878 1.00 94.38 C ATOM 1315 HA LYS A 91 6.204 19.784 16.889 1.00 0.00 H ATOM 1316 HB2 LYS A 91 7.890 19.972 15.146 1.00 0.00 H ATOM 1317 HB3 LYS A 91 6.902 18.969 14.056 1.00 0.00 H ATOM 1318 H LYS A 91 7.794 17.557 16.107 1.00 0.00 H ATOM 1319 N ASN A 92 4.615 17.553 14.982 1.00 89.72 N ATOM 1320 CA ASN A 92 3.316 17.032 14.510 1.00 90.46 C ATOM 1321 C ASN A 92 2.592 16.162 15.561 1.00 88.54 C ATOM 1322 O ASN A 92 1.565 15.562 15.291 1.00 89.41 O ATOM 1323 CB ASN A 92 3.472 16.295 13.150 1.00 90.66 C ATOM 1324 CG ASN A 92 4.345 15.014 13.250 1.00 90.12 C ATOM 1325 OD1 ASN A 92 3.850 13.904 13.040 1.00 89.95 O ATOM 1326 ND2 ASN A 92 5.637 15.175 13.572 1.00 90.44 N ATOM 1327 HA ASN A 92 2.671 17.896 14.352 1.00 0.00 H ATOM 1328 HB2 ASN A 92 2.482 16.014 12.792 1.00 0.00 H ATOM 1329 HB3 ASN A 92 3.935 16.976 12.437 1.00 0.00 H ATOM 1330 HD22 ASN A 92 6.016 16.129 13.741 1.00 0.00 H ATOM 1331 HD21 ASN A 92 6.260 14.346 13.652 1.00 0.00 H ATOM 1332 H ASN A 92 5.475 17.045 14.693 1.00 0.00 H ATOM 1333 N GLY A 93 3.152 16.084 16.762 1.00 87.12 N ATOM 1334 CA GLY A 93 2.432 15.513 17.894 1.00 86.56 C ATOM 1335 C GLY A 93 2.574 14.020 18.186 1.00 84.38 C ATOM 1336 O GLY A 93 1.929 13.517 19.124 1.00 86.17 O ATOM 1337 HA3 GLY A 93 1.372 15.707 17.729 1.00 0.00 H ATOM 1338 HA2 GLY A 93 2.763 16.046 18.785 1.00 0.00 H ATOM 1339 H GLY A 93 4.121 16.436 16.898 1.00 0.00 H ATOM 1340 N ASP A 94 3.386 13.285 17.414 1.00 80.95 N ATOM 1341 CA ASP A 94 3.532 11.842 17.698 1.00 77.65 C ATOM 1342 C ASP A 94 4.591 11.609 18.738 1.00 73.96 C ATOM 1343 O ASP A 94 5.520 12.415 18.886 1.00 73.39 O ATOM 1344 CB ASP A 94 3.771 11.020 16.442 1.00 77.85 C ATOM 1345 CG ASP A 94 2.570 11.026 15.550 1.00 81.98 C ATOM 1346 OD1 ASP A 94 2.717 11.525 14.420 1.00 85.63 O ATOM 1347 OD2 ASP A 94 1.467 10.597 15.992 1.00 85.14 O ATOM 1348 HA ASP A 94 2.582 11.493 18.104 1.00 0.00 H ATOM 1349 HB2 ASP A 94 4.618 11.439 15.899 1.00 0.00 H ATOM 1350 HB3 ASP A 94 3.996 9.992 16.728 1.00 0.00 H ATOM 1351 H ASP A 94 3.906 13.723 16.627 1.00 0.00 H ATOM 1352 N VAL A 95 4.416 10.543 19.491 1.00 70.87 N ATOM 1353 CA VAL A 95 5.272 10.322 20.641 1.00 67.62 C ATOM 1354 C VAL A 95 6.523 9.538 20.211 1.00 63.38 C ATOM 1355 O VAL A 95 6.457 8.688 19.326 1.00 63.46 O ATOM 1356 CB VAL A 95 4.481 9.650 21.790 1.00 70.47 C ATOM 1357 CG1 VAL A 95 5.082 10.011 23.078 1.00 72.20 C ATOM 1358 CG2 VAL A 95 3.053 10.176 21.806 1.00 73.71 C ATOM 1359 HA VAL A 95 5.618 11.276 21.039 1.00 0.00 H ATOM 1360 HB VAL A 95 4.500 8.571 21.636 1.00 0.00 H ATOM 1361 HG11 VAL A 95 6.117 9.671 23.103 1.00 0.00 H ATOM 1362 HG12 VAL A 95 5.051 11.094 23.201 1.00 0.00 H ATOM 1363 HG13 VAL A 95 4.523 9.536 23.884 1.00 0.00 H ATOM 1364 HG21 VAL A 95 3.066 11.255 21.959 1.00 0.00 H ATOM 1365 HG22 VAL A 95 2.573 9.948 20.854 1.00 0.00 H ATOM 1366 HG23 VAL A 95 2.501 9.700 22.616 1.00 0.00 H ATOM 1367 H VAL A 95 3.665 9.861 19.262 1.00 0.00 H ATOM 1368 N ILE A 96 7.671 9.862 20.804 1.00 59.41 N ATOM 1369 CA ILE A 96 8.867 9.057 20.650 1.00 54.67 C ATOM 1370 C ILE A 96 9.110 8.415 22.003 1.00 54.36 C ATOM 1371 O ILE A 96 9.307 9.125 22.996 1.00 54.92 O ATOM 1372 CB ILE A 96 10.059 9.921 20.307 1.00 54.95 C ATOM 1373 CG1 ILE A 96 9.822 10.655 19.003 1.00 56.90 C ATOM 1374 CG2 ILE A 96 11.315 9.115 20.249 1.00 54.17 C ATOM 1375 CD1 ILE A 96 10.586 11.963 18.874 1.00 64.28 C ATOM 1376 HA ILE A 96 8.739 8.327 19.850 1.00 0.00 H ATOM 1377 HB ILE A 96 10.182 10.659 21.099 1.00 0.00 H ATOM 1378 HG12 ILE A 96 10.122 10.002 18.184 1.00 0.00 H ATOM 1379 HG13 ILE A 96 8.757 10.872 18.922 1.00 0.00 H ATOM 1380 HD11 ILE A 96 10.290 12.636 19.678 1.00 0.00 H ATOM 1381 HD12 ILE A 96 11.656 11.765 18.940 1.00 0.00 H ATOM 1382 HD13 ILE A 96 10.358 12.422 17.912 1.00 0.00 H ATOM 1383 HG21 ILE A 96 11.491 8.649 21.219 1.00 0.00 H ATOM 1384 HG22 ILE A 96 11.215 8.343 19.486 1.00 0.00 H ATOM 1385 HG23 ILE A 96 12.152 9.767 20.000 1.00 0.00 H ATOM 1386 H ILE A 96 7.711 10.717 21.395 1.00 0.00 H ATOM 1387 N GLU A 97 9.151 7.077 22.053 1.00 46.65 N ATOM 1388 CA GLU A 97 9.213 6.364 23.324 1.00 42.00 C ATOM 1389 C GLU A 97 10.607 5.815 23.579 1.00 37.90 C ATOM 1390 O GLU A 97 11.119 5.025 22.747 1.00 34.15 O ATOM 1391 CB GLU A 97 8.355 5.145 23.259 1.00 43.76 C ATOM 1392 CG GLU A 97 7.097 5.297 22.528 1.00 52.30 C ATOM 1393 CD GLU A 97 6.031 5.548 23.489 1.00 61.70 C ATOM 1394 OE1 GLU A 97 6.128 6.651 24.106 1.00 68.13 O ATOM 1395 OE2 GLU A 97 5.175 4.640 23.666 1.00 64.16 O ATOM 1396 HA GLU A 97 8.905 7.073 24.092 1.00 0.00 H ATOM 1397 HB2 GLU A 97 8.930 4.355 22.777 1.00 0.00 H ATOM 1398 HB3 GLU A 97 8.116 4.847 24.280 1.00 0.00 H ATOM 1399 HG2 GLU A 97 7.173 6.135 21.835 1.00 0.00 H ATOM 1400 HG3 GLU A 97 6.883 4.385 21.971 1.00 0.00 H ATOM 1401 H GLU A 97 9.138 6.534 21.166 1.00 0.00 H ATOM 1402 N LEU A 98 11.202 6.167 24.721 1.00 33.42 N ATOM 1403 CA LEU A 98 12.495 5.591 25.063 1.00 32.31 C ATOM 1404 C LEU A 98 12.124 4.364 25.884 1.00 31.48 C ATOM 1405 O LEU A 98 11.790 4.510 27.037 1.00 30.48 O ATOM 1406 CB LEU A 98 13.238 6.535 26.006 1.00 32.39 C ATOM 1407 CG LEU A 98 14.226 7.442 25.293 1.00 36.96 C ATOM 1408 CD1 LEU A 98 13.709 7.965 24.030 1.00 33.52 C ATOM 1409 CD2 LEU A 98 14.717 8.564 26.275 1.00 34.66 C ATOM 1410 HA LEU A 98 13.110 5.393 24.185 1.00 0.00 H ATOM 1411 HB2 LEU A 98 12.506 7.157 26.521 1.00 0.00 H ATOM 1412 HB3 LEU A 98 13.782 5.937 26.737 1.00 0.00 H ATOM 1413 HG LEU A 98 15.092 6.847 25.004 1.00 0.00 H ATOM 1414 HD21 LEU A 98 13.862 9.152 26.610 1.00 0.00 H ATOM 1415 HD22 LEU A 98 15.203 8.105 27.136 1.00 0.00 H ATOM 1416 HD23 LEU A 98 15.425 9.212 25.759 1.00 0.00 H ATOM 1417 HD11 LEU A 98 13.478 7.135 23.362 1.00 0.00 H ATOM 1418 HD12 LEU A 98 12.805 8.543 24.221 1.00 0.00 H ATOM 1419 HD13 LEU A 98 14.461 8.606 23.569 1.00 0.00 H ATOM 1420 H LEU A 98 10.746 6.847 25.362 1.00 0.00 H ATOM 1421 N LYS A 99 12.072 3.187 25.293 1.00 28.63 N ATOM 1422 CA LYS A 99 11.599 2.062 26.057 1.00 30.12 C ATOM 1423 C LYS A 99 12.764 1.204 26.535 1.00 28.71 C ATOM 1424 O LYS A 99 12.780 0.803 27.722 1.00 28.12 O ATOM 1425 CB LYS A 99 10.651 1.175 25.215 1.00 31.13 C ATOM 1426 CG LYS A 99 9.362 1.898 24.789 1.00 32.52 C ATOM 1427 CD LYS A 99 8.388 0.819 24.237 1.00 36.58 C ATOM 1428 CE LYS A 99 7.071 1.441 23.651 1.00 47.63 C ATOM 1429 NZ LYS A 99 6.261 0.395 22.834 1.00 48.36 N ATOM 1430 HA LYS A 99 11.058 2.462 26.914 1.00 0.00 H ATOM 1431 HB2 LYS A 99 11.181 0.855 24.318 1.00 0.00 H ATOM 1432 HB3 LYS A 99 10.379 0.301 25.806 1.00 0.00 H ATOM 1433 HG2 LYS A 99 8.915 2.401 25.647 1.00 0.00 H ATOM 1434 HG3 LYS A 99 9.584 2.632 24.014 1.00 0.00 H ATOM 1435 HD2 LYS A 99 8.893 0.262 23.448 1.00 0.00 H ATOM 1436 HD3 LYS A 99 8.124 0.139 25.047 1.00 0.00 H ATOM 1437 HE2 LYS A 99 7.332 2.275 22.999 1.00 0.00 H ATOM 1438 HE3 LYS A 99 6.454 1.804 24.473 1.00 0.00 H ATOM 1439 HZ1 LYS A 99 6.842 0.049 22.044 1.00 0.00 H ATOM 1440 HZ2 LYS A 99 6.003 -0.401 23.451 1.00 0.00 H ATOM 1441 HZ3 LYS A 99 5.398 0.840 22.462 1.00 0.00 H ATOM 1442 H LYS A 99 12.365 3.074 24.301 1.00 0.00 H ATOM 1443 N TYR A 100 13.671 0.836 25.609 1.00 24.61 N ATOM 1444 CA TYR A 100 14.632 -0.248 25.896 1.00 25.32 C ATOM 1445 C TYR A 100 16.071 0.178 25.652 1.00 25.45 C ATOM 1446 O TYR A 100 16.487 0.309 24.482 1.00 28.10 O ATOM 1447 CB TYR A 100 14.332 -1.483 24.982 1.00 26.09 C ATOM 1448 CG TYR A 100 12.863 -1.842 24.946 1.00 27.06 C ATOM 1449 CD1 TYR A 100 12.181 -2.197 26.140 1.00 26.64 C ATOM 1450 CD2 TYR A 100 12.176 -1.928 23.716 1.00 24.49 C ATOM 1451 CE1 TYR A 100 10.828 -2.589 26.148 1.00 28.77 C ATOM 1452 CE2 TYR A 100 10.772 -2.319 23.748 1.00 27.26 C ATOM 1453 CZ TYR A 100 10.152 -2.638 24.944 1.00 29.24 C ATOM 1454 OH TYR A 100 8.824 -3.054 24.954 1.00 29.90 O ATOM 1455 HA TYR A 100 14.515 -0.501 26.950 1.00 0.00 H ATOM 1456 HB3 TYR A 100 14.891 -2.340 25.359 1.00 0.00 H ATOM 1457 HB2 TYR A 100 14.660 -1.254 23.968 1.00 0.00 H ATOM 1458 HD2 TYR A 100 12.678 -1.709 22.774 1.00 0.00 H ATOM 1459 HE2 TYR A 100 10.203 -2.361 22.819 1.00 0.00 H ATOM 1460 HE1 TYR A 100 10.327 -2.847 27.081 1.00 0.00 H ATOM 1461 HD1 TYR A 100 12.724 -2.165 27.084 1.00 0.00 H ATOM 1462 HH TYR A 100 8.544 -3.239 25.885 1.00 0.00 H ATOM 1463 H TYR A 100 13.694 1.318 24.688 1.00 0.00 H ATOM 1464 N PRO A 101 16.842 0.407 26.697 1.00 26.56 N ATOM 1465 CA PRO A 101 18.236 0.855 26.454 1.00 26.63 C ATOM 1466 C PRO A 101 18.977 -0.173 25.651 1.00 30.42 C ATOM 1467 O PRO A 101 18.850 -1.394 25.877 1.00 31.32 O ATOM 1468 CB PRO A 101 18.860 0.939 27.835 1.00 31.15 C ATOM 1469 CG PRO A 101 17.727 0.791 28.864 1.00 32.65 C ATOM 1470 CD PRO A 101 16.501 0.173 28.131 1.00 28.96 C ATOM 1471 HA PRO A 101 18.271 1.798 25.909 1.00 0.00 H ATOM 1472 HD3 PRO A 101 16.406 -0.891 28.347 1.00 0.00 H ATOM 1473 HD2 PRO A 101 15.577 0.682 28.406 1.00 0.00 H ATOM 1474 HG3 PRO A 101 17.464 1.768 29.270 1.00 0.00 H ATOM 1475 HG2 PRO A 101 18.045 0.135 29.675 1.00 0.00 H ATOM 1476 HB2 PRO A 101 19.588 0.138 27.964 1.00 0.00 H ATOM 1477 HB3 PRO A 101 19.355 1.902 27.962 1.00 0.00 H ATOM 1478 N LEU A 102 19.723 0.248 24.658 1.00 31.00 N ATOM 1479 CA LEU A 102 20.489 -0.699 23.859 1.00 34.29 C ATOM 1480 C LEU A 102 21.901 -0.702 24.471 1.00 38.11 C ATOM 1481 O LEU A 102 22.644 0.287 24.358 1.00 38.95 O ATOM 1482 CB LEU A 102 20.546 -0.110 22.441 1.00 32.45 C ATOM 1483 CG LEU A 102 21.184 -0.903 21.293 1.00 39.16 C ATOM 1484 CD1 LEU A 102 22.641 -1.143 21.490 1.00 39.81 C ATOM 1485 CD2 LEU A 102 20.483 -2.225 21.325 1.00 42.65 C ATOM 1486 HA LEU A 102 20.071 -1.705 23.836 1.00 0.00 H ATOM 1487 HB2 LEU A 102 19.517 0.094 22.146 1.00 0.00 H ATOM 1488 HB3 LEU A 102 21.094 0.829 22.515 1.00 0.00 H ATOM 1489 HG LEU A 102 21.087 -0.355 20.356 1.00 0.00 H ATOM 1490 HD21 LEU A 102 20.649 -2.700 22.292 1.00 0.00 H ATOM 1491 HD22 LEU A 102 19.415 -2.072 21.173 1.00 0.00 H ATOM 1492 HD23 LEU A 102 20.877 -2.863 20.534 1.00 0.00 H ATOM 1493 HD11 LEU A 102 23.159 -0.187 21.560 1.00 0.00 H ATOM 1494 HD12 LEU A 102 22.794 -1.709 22.409 1.00 0.00 H ATOM 1495 HD13 LEU A 102 23.032 -1.708 20.644 1.00 0.00 H ATOM 1496 H LEU A 102 19.768 1.264 24.440 1.00 0.00 H ATOM 1497 N ASN A 103 22.263 -1.762 25.149 1.00 42.57 N ATOM 1498 CA ASN A 103 23.479 -1.742 25.962 1.00 49.52 C ATOM 1499 C ASN A 103 24.725 -2.192 25.221 1.00 53.01 C ATOM 1500 O ASN A 103 24.972 -1.975 24.032 1.00 51.92 O ATOM 1501 CB ASN A 103 23.300 -2.502 27.308 1.00 52.72 C ATOM 1502 CG ASN A 103 22.244 -1.795 28.256 1.00 56.53 C ATOM 1503 OD1 ASN A 103 22.135 -0.521 28.295 1.00 58.06 O ATOM 1504 ND2 ASN A 103 21.465 -2.618 28.997 1.00 55.42 N ATOM 1505 HA ASN A 103 23.644 -0.691 26.198 1.00 0.00 H ATOM 1506 HB2 ASN A 103 22.960 -3.516 27.097 1.00 0.00 H ATOM 1507 HB3 ASN A 103 24.261 -2.542 27.820 1.00 0.00 H ATOM 1508 HD22 ASN A 103 21.589 -3.649 28.933 1.00 0.00 H ATOM 1509 HD21 ASN A 103 20.743 -2.220 29.630 1.00 0.00 H ATOM 1510 H ASN A 103 21.682 -2.624 25.109 1.00 0.00 H TER 1511 ASN A 103 HETATM 1512 O HOH 1 13.526 18.164 28.588 1.00 15.76 O HETATM 1513 O HOH 2 9.511 17.442 29.433 1.00 19.15 O HETATM 1514 O HOH 3 17.052 -5.879 14.633 1.00 15.89 O HETATM 1515 O HOH 4 17.274 -2.374 23.012 1.00 15.95 O HETATM 1516 O HOH 5 10.392 4.282 20.135 1.00 17.96 O HETATM 1517 O HOH 6 23.574 20.023 21.802 1.00 33.43 O HETATM 1518 O HOH 7 16.228 18.391 20.890 1.00 27.62 O HETATM 1519 O HOH 8 16.399 25.266 27.606 1.00 23.81 O HETATM 1520 O HOH 9 13.798 23.572 29.207 1.00 19.84 O HETATM 1521 O HOH 10 14.564 28.230 29.351 1.00 28.25 O HETATM 1522 O HOH 11 25.287 20.936 33.234 1.00 29.11 O HETATM 1523 O HOH 12 23.982 20.328 35.552 1.00 20.45 O HETATM 1524 O HOH 13 26.184 24.298 37.670 1.00 40.40 O HETATM 1525 O HOH 14 21.911 24.896 38.044 1.00 24.94 O HETATM 1526 O HOH 15 20.814 26.941 39.817 1.00 34.79 O HETATM 1527 O HOH 16 22.493 11.049 37.813 1.00 31.53 O HETATM 1528 O HOH 17 14.740 11.456 36.706 1.00 18.29 O HETATM 1529 O HOH 18 9.785 8.025 26.417 1.00 23.93 O HETATM 1530 O HOH 19 8.337 5.844 19.735 1.00 25.70 O HETATM 1531 O HOH 20 7.689 -0.515 21.107 1.00 33.10 O HETATM 1532 O HOH 21 7.680 9.825 25.068 1.00 49.23 O HETATM 1533 O HOH 22 25.321 4.102 30.211 1.00 24.66 O HETATM 1534 O HOH 23 9.167 24.101 26.862 1.00 41.42 O HETATM 1535 N LEU A 24 20.542 11.650 8.234 1.00 0.24 N HETATM 1536 CA LEU A 24 20.011 11.308 9.591 1.00 0.07 C HETATM 1537 C LEU A 24 18.835 12.210 9.817 1.00 0.23 C HETATM 1538 O LEU A 24 18.929 13.437 9.616 1.00 -0.39 O HETATM 1539 N LEU A 24 17.727 11.614 10.240 1.00 -0.26 N HETATM 1540 CA LEU A 24 16.530 12.359 10.543 1.00 0.15 C HETATM 1541 C LEU A 24 16.514 12.828 12.037 1.00 0.21 C HETATM 1542 O LEU A 24 16.397 11.969 12.950 1.00 -0.39 O HETATM 1543 N LEU A 24 16.615 14.149 12.271 1.00 -0.26 N HETATM 1544 CA LEU A 24 16.584 14.765 13.603 1.00 0.15 C HETATM 1545 C LEU A 24 15.175 15.224 13.889 1.00 0.21 C HETATM 1546 O LEU A 24 14.638 15.987 13.110 1.00 -0.39 O HETATM 1547 N LEU A 24 14.551 14.775 14.976 1.00 -0.26 N HETATM 1548 CA LEU A 24 13.168 15.168 15.272 1.00 0.13 C HETATM 1549 C LEU A 24 13.086 16.621 15.651 1.00 0.20 C HETATM 1550 O LEU A 24 14.014 17.149 16.270 1.00 -0.39 O HETATM 1551 N LEU A 24 11.943 17.239 15.341 1.00 -0.26 N HETATM 1552 CA LEU A 24 11.627 18.600 15.772 1.00 0.13 C HETATM 1553 C LEU A 24 10.534 18.451 16.857 1.00 0.20 C HETATM 1554 O LEU A 24 9.433 17.959 16.556 1.00 -0.39 O HETATM 1555 N LEU A 24 10.836 18.844 18.106 1.00 -0.26 N HETATM 1556 CA LEU A 24 9.965 18.560 19.277 1.00 0.13 C HETATM 1557 C LEU A 24 8.849 19.597 19.688 1.00 0.20 C HETATM 1558 O LEU A 24 8.897 20.741 19.271 1.00 -0.39 O HETATM 1559 N LEU A 24 7.864 19.172 20.492 1.00 -0.27 N HETATM 1560 CA LEU A 24 6.911 20.036 21.269 1.00 0.09 C HETATM 1561 C LEU A 24 5.495 20.165 20.657 1.00 0.06 C HETATM 1562 O LEU A 24 4.502 19.644 21.206 1.00 -0.57 O HETATM 1563 O LEU A 24 5.342 20.808 19.584 1.00 -0.57 O HETATM 1564 CB LEU A 24 7.478 21.430 21.632 1.00 -0.03 C HETATM 1565 H LEU A 24 8.374 21.309 22.241 1.00 0.03 H HETATM 1566 H LEU A 24 7.729 21.968 20.718 1.00 0.03 H HETATM 1567 H LEU A 24 6.729 21.991 22.191 1.00 0.03 H HETATM 1568 H LEU A 24 6.794 19.476 22.197 1.00 0.07 H HETATM 1569 H LEU A 24 7.750 18.163 20.586 1.00 0.19 H HETATM 1570 CB LEU A 24 10.865 18.212 20.493 1.00 -0.01 C HETATM 1571 CG LEU A 24 11.361 16.766 20.767 1.00 -0.04 C HETATM 1572 CD1 LEU A 24 11.201 15.733 19.627 1.00 -0.06 C HETATM 1573 H LEU A 24 10.146 15.635 19.373 1.00 0.02 H HETATM 1574 H LEU A 24 11.757 16.070 18.752 1.00 0.02 H HETATM 1575 H LEU A 24 11.588 14.768 19.956 1.00 0.02 H HETATM 1576 CD2 LEU A 24 12.800 16.751 21.277 1.00 -0.06 C HETATM 1577 H LEU A 24 13.453 17.203 20.531 1.00 0.02 H HETATM 1578 H LEU A 24 12.861 17.317 22.206 1.00 0.02 H HETATM 1579 H LEU A 24 13.110 15.722 21.457 1.00 0.02 H HETATM 1580 H LEU A 24 10.669 16.429 21.539 1.00 0.03 H HETATM 1581 H LEU A 24 10.230 18.431 21.351 1.00 0.03 H HETATM 1582 H LEU A 24 11.784 18.764 20.296 1.00 0.03 H HETATM 1583 H LEU A 24 9.352 17.726 18.935 1.00 0.08 H HETATM 1584 H LEU A 24 11.702 19.361 18.258 1.00 0.19 H HETATM 1585 CB LEU A 24 11.172 19.452 14.540 1.00 -0.02 C HETATM 1586 H LEU A 24 11.976 19.483 13.805 1.00 0.03 H HETATM 1587 H LEU A 24 10.287 18.999 14.094 1.00 0.03 H HETATM 1588 H LEU A 24 10.938 20.465 14.867 1.00 0.03 H HETATM 1589 H LEU A 24 12.483 19.130 16.189 1.00 0.08 H HETATM 1590 H LEU A 24 11.258 16.737 14.776 1.00 0.19 H HETATM 1591 CB LEU A 24 12.578 14.336 16.426 1.00 -0.02 C HETATM 1592 H LEU A 24 12.586 13.281 16.153 1.00 0.03 H HETATM 1593 H LEU A 24 13.179 14.485 17.323 1.00 0.03 H HETATM 1594 H LEU A 24 11.553 14.656 16.616 1.00 0.03 H HETATM 1595 H LEU A 24 12.594 14.988 14.363 1.00 0.08 H HETATM 1596 H LEU A 24 15.042 14.148 15.613 1.00 0.19 H HETATM 1597 CB LEU A 24 17.577 15.973 13.728 1.00 0.04 C HETATM 1598 CG LEU A 24 18.958 15.509 14.046 1.00 -0.00 C HETATM 1599 CD1 LEU A 24 19.762 14.980 13.067 1.00 -0.02 C HETATM 1600 CE1 LEU A 24 21.024 14.485 13.355 1.00 0.01 C HETATM 1601 CZ LEU A 24 21.500 14.548 14.677 1.00 0.17 C HETATM 1602 CE2 LEU A 24 20.687 15.027 15.674 1.00 0.01 C HETATM 1603 CD2 LEU A 24 19.439 15.524 15.376 1.00 -0.02 C HETATM 1604 H LEU A 24 18.816 15.933 16.172 1.00 0.07 H HETATM 1605 H LEU A 24 21.032 15.014 16.708 1.00 0.07 H HETATM 1606 OH LEU A 24 22.632 14.062 14.931 1.00 -0.20 O HETATM 1607 P LEU A 24 23.986 14.846 15.421 1.00 0.13 P HETATM 1608 O1P LEU A 24 23.579 15.444 16.742 1.00 -0.67 O HETATM 1609 O2P LEU A 24 25.266 13.956 15.489 1.00 -0.67 O HETATM 1610 O3P LEU A 24 24.137 16.072 14.492 1.00 -0.67 O HETATM 1611 H LEU A 24 21.640 14.052 12.567 1.00 0.07 H HETATM 1612 H LEU A 24 19.399 14.949 12.040 1.00 0.07 H HETATM 1613 H LEU A 24 17.235 16.621 14.534 1.00 0.06 H HETATM 1614 H LEU A 24 17.600 16.503 12.776 1.00 0.06 H HETATM 1615 H LEU A 24 16.903 14.019 14.331 1.00 0.08 H HETATM 1616 H LEU A 24 16.721 14.766 11.466 1.00 0.19 H HETATM 1617 CB LEU A 24 15.335 11.474 10.239 1.00 0.08 C HETATM 1618 CG LEU A 24 14.020 12.072 10.744 1.00 0.18 C HETATM 1619 OD1 LEU A 24 13.741 13.280 10.555 1.00 -0.40 O HETATM 1620 ND2 LEU A 24 13.205 11.242 11.411 1.00 -0.30 N HETATM 1621 H LEU A 24 12.321 11.587 11.786 1.00 0.18 H HETATM 1622 H LEU A 24 13.469 10.266 11.543 1.00 0.18 H HETATM 1623 H LEU A 24 15.486 10.520 10.743 1.00 0.06 H HETATM 1624 H LEU A 24 15.262 11.367 9.157 1.00 0.06 H HETATM 1625 H LEU A 24 16.493 13.260 9.931 1.00 0.08 H HETATM 1626 H LEU A 24 17.722 10.600 10.354 1.00 0.19 H HETATM 1627 CB LEU A 24 21.081 11.524 10.686 1.00 0.01 C HETATM 1628 CG LEU A 24 22.440 10.862 10.458 1.00 -0.04 C HETATM 1629 CD1 LEU A 24 23.208 10.810 11.748 1.00 -0.06 C HETATM 1630 H LEU A 24 22.669 10.191 12.465 1.00 0.02 H HETATM 1631 H LEU A 24 24.194 10.383 11.565 1.00 0.02 H HETATM 1632 H LEU A 24 23.316 11.819 12.146 1.00 0.02 H HETATM 1633 CD2 LEU A 24 22.319 9.468 9.955 1.00 -0.06 C HETATM 1634 H LEU A 24 23.314 9.055 9.791 1.00 0.02 H HETATM 1635 H LEU A 24 21.790 8.862 10.691 1.00 0.02 H HETATM 1636 H LEU A 24 21.765 9.469 9.016 1.00 0.02 H HETATM 1637 H LEU A 24 22.953 11.465 9.709 1.00 0.03 H HETATM 1638 H LEU A 24 20.677 11.075 11.593 1.00 0.03 H HETATM 1639 H LEU A 24 21.270 12.597 10.713 1.00 0.03 H HETATM 1640 H LEU A 24 19.727 10.257 9.643 1.00 0.11 H HETATM 1641 H LEU A 24 19.814 11.497 7.537 1.00 0.20 H HETATM 1642 H LEU A 24 20.828 12.629 8.219 1.00 0.20 H HETATM 1643 H LEU A 24 21.345 11.056 8.025 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1535 1536 1641 1642 1643 CONECT 1536 1535 1537 1627 1640 CONECT 1537 1536 1538 1539 CONECT 1538 1537 CONECT 1539 1537 1540 1626 CONECT 1540 1539 1541 1617 1625 CONECT 1541 1540 1542 1543 CONECT 1542 1541 CONECT 1543 1541 1544 1616 CONECT 1544 1543 1545 1597 1615 CONECT 1545 1544 1546 1547 CONECT 1546 1545 CONECT 1547 1545 1548 1596 CONECT 1548 1547 1549 1591 1595 CONECT 1549 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 1552 1590 CONECT 1552 1551 1553 1585 1589 CONECT 1553 1552 1554 1555 CONECT 1554 1553 CONECT 1555 1553 1556 1584 CONECT 1556 1555 1557 1570 1583 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1569 CONECT 1560 1559 1561 1564 1568 CONECT 1561 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1560 1565 1566 1567 CONECT 1565 1564 CONECT 1566 1564 CONECT 1567 1564 CONECT 1568 1560 CONECT 1569 1559 CONECT 1570 1556 1571 1581 1582 CONECT 1571 1570 1572 1576 1580 CONECT 1572 1571 1573 1574 1575 CONECT 1573 1572 CONECT 1574 1572 CONECT 1575 1572 CONECT 1576 1571 1577 1578 1579 CONECT 1577 1576 CONECT 1578 1576 CONECT 1579 1576 CONECT 1580 1571 CONECT 1581 1570 CONECT 1582 1570 CONECT 1583 1556 CONECT 1584 1555 CONECT 1585 1552 1586 1587 1588 CONECT 1586 1585 CONECT 1587 1585 CONECT 1588 1585 CONECT 1589 1552 CONECT 1590 1551 CONECT 1591 1548 1592 1593 1594 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1591 CONECT 1595 1548 CONECT 1596 1547 CONECT 1597 1544 1598 1613 1614 CONECT 1598 1597 1599 1603 CONECT 1599 1598 1600 1612 CONECT 1600 1599 1601 1611 CONECT 1601 1600 1602 1606 CONECT 1602 1601 1603 1605 CONECT 1603 1598 1602 1604 CONECT 1604 1603 CONECT 1605 1602 CONECT 1606 1601 1607 CONECT 1607 1606 1608 1609 1610 CONECT 1608 1607 CONECT 1609 1607 CONECT 1610 1607 CONECT 1611 1600 CONECT 1612 1599 CONECT 1613 1597 CONECT 1614 1597 CONECT 1615 1544 CONECT 1616 1543 CONECT 1617 1540 1618 1623 1624 CONECT 1618 1617 1619 1620 CONECT 1619 1618 CONECT 1620 1618 1621 1622 CONECT 1621 1620 CONECT 1622 1620 CONECT 1623 1617 CONECT 1624 1617 CONECT 1625 1540 CONECT 1626 1539 CONECT 1627 1536 1628 1638 1639 CONECT 1628 1627 1629 1633 1637 CONECT 1629 1628 1630 1631 1632 CONECT 1630 1629 CONECT 1631 1629 CONECT 1632 1629 CONECT 1633 1628 1634 1635 1636 CONECT 1634 1633 CONECT 1635 1633 CONECT 1636 1633 CONECT 1637 1628 CONECT 1638 1627 CONECT 1639 1627 CONECT 1640 1536 CONECT 1641 1535 CONECT 1642 1535 CONECT 1643 1535 MASTER 0 0 0 0 0 0 0 0 1642 1 113 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3tl0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3o5x
RCSB PDB
PDBbind
276aa, >3O5X_1|Chain... at 97%
3tkz
RCSB PDB
PDBbind
109aa, >3TKZ_1|Chain... at 96%
5ehp
RCSB PDB
PDBbind
526aa, >5EHP_1|Chains... at 99%
5ehr
RCSB PDB
PDBbind
526aa, >5EHR_1|Chains... at 99%
5xzr
RCSB PDB
PDBbind
557aa, >5XZR_1|Chain... *
6bmr
RCSB PDB
PDBbind
526aa, >6BMR_1|Chains... at 99%
6bmv
RCSB PDB
PDBbind
526aa, >6BMV_1|Chains... at 99%
6bmx
RCSB PDB
PDBbind
526aa, >6BMX_1|Chains... at 99%
6cmr
RCSB PDB
PDBbind
532aa, >6CMR_1|Chain... at 99%
6cms
RCSB PDB
PDBbind
532aa, >6CMS_1|Chain... at 99%
6mdc
RCSB PDB
PDBbind
526aa, >6MDC_1|Chains... at 99%
6mdb
RCSB PDB
PDBbind
526aa, >6MDB_1|Chains... at 99%
6md7
RCSB PDB
PDBbind
526aa, >6MD7_1|Chains... at 99%
6mdd
RCSB PDB
PDBbind
526aa, >6MDD_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
3tl0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Src homology 2 (SHP-2) N-terminal SH2 domain
Ligand Name
10-mer
EC.Number
E.C.3.1.3.48
Resolution
2.05(Å)
Affinity (Kd/Ki/IC50)
Kd=0.26uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Biochemistry Vol. 50: pp. 7637-7646
Ligand Properties
Formula
C
3
4
H
5
7
N
8
O
1
3
P
Molecular Weight
816.836
Exact Mass
816.378
No. of atoms
113
No. of bonds
113
Polar Surface Area
366.14
LOGP Value
-2.75 (
Computed with XLOGP3
)
-0.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 1
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])CC(=O)N)Cc1ccc(cc1)OP(O)(O)O)C)C)C
InChI String
InChI=1S/C34H57N8O13P/c1-16(2)12-23(35)30(46)41-26(15-27(36)43)33(49)42-25(14-21-8-10-22(11-9-21)55-56(52,53)54)32(48)38-18(5)28(44)37-19(6)29(45)40-24(13-17(3)4)31(47)39-20(7)34(50)51/h8-11,16-20,23-26,52-54,56H,12-15,35H2,1-7H3,(H2,36,43)(H,37,44)(H,38,48)(H,39,47)(H,40,45)(H,41,46)(H,42,49)(H,50,51)/p+1/t18-,19-,20-,23-,24-,25-,26-/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):
Q06124
Entrez Gene ID
NCBI Entrez Gene ID:
5781
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com