Browse entries in the PDBbind-CN Database
HEADER 5D48_COMPLEX COMPND 5D48_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 ARG GLY SER HIS MET CYS ASP ALA PHE VAL GLY THR TRP SEQRES 2 A 136 LYS LEU VAL SER SER GLU ASN PHE ASP ASP TYR MET LYS SEQRES 3 A 136 GLU VAL GLY VAL GLY PHE ALA THR ARG LYS VAL ALA GLY SEQRES 4 A 136 MET ALA LYS PRO ASN MET ILE ILE SER VAL ASN GLY ASP SEQRES 5 A 136 VAL ILE THR ILE LYS SER GLU SER THR PHE LYS ASN THR SEQRES 6 A 136 GLU ILE SER PHE ILE LEU GLY GLN GLU PHE ASP GLU VAL SEQRES 7 A 136 THR ALA ASP ASP ARG LYS VAL LYS SER THR ILE THR LEU SEQRES 8 A 136 ASP GLY GLY VAL LEU VAL HIS VAL GLN LYS TRP ASP GLY SEQRES 9 A 136 LYS SER THR THR ILE LYS ARG LYS ARG GLU ASP ASP LYS SEQRES 10 A 136 LEU VAL VAL GLU CYS VAL MET LYS GLY VAL THR SER THR SEQRES 11 A 136 ARG VAL TYR GLU ARG ALA HET L A 96 64 ATOM 1 N ARG A -4 7.218 25.628 -5.966 1.00 82.61 N ATOM 2 CA ARG A -4 6.089 24.724 -5.819 1.00 86.86 C ATOM 3 C ARG A -4 6.163 23.479 -6.675 1.00 87.83 C ATOM 4 O ARG A -4 5.132 22.916 -7.000 1.00 91.39 O ATOM 5 CB ARG A -4 4.755 25.425 -6.112 1.00 89.11 C ATOM 6 CG ARG A -4 4.586 25.937 -7.528 1.00 96.11 C ATOM 7 CD ARG A -4 3.320 25.379 -8.151 1.00101.58 C ATOM 8 NE ARG A -4 2.239 25.638 -7.232 1.00112.07 N ATOM 9 CZ ARG A -4 2.031 26.839 -6.715 1.00116.72 C ATOM 10 NH1 ARG A -4 1.047 27.040 -5.847 1.00107.17 N ATOM 11 NH2 ARG A -4 2.815 27.855 -7.135 1.00118.54 N ATOM 12 HE ARG A -4 1.604 24.858 -6.968 1.00 0.00 H ATOM 13 HH12 ARG A -4 0.892 27.987 -5.447 1.00 0.00 H ATOM 14 HH11 ARG A -4 0.431 26.250 -5.567 1.00 0.00 H ATOM 15 HH22 ARG A -4 2.678 28.811 -6.749 1.00 0.00 H ATOM 16 HH21 ARG A -4 3.556 27.681 -7.844 1.00 0.00 H ATOM 17 HN3 ARG A -4 7.281 25.945 -6.955 1.00 0.00 H ATOM 18 HN2 ARG A -4 8.094 25.132 -5.703 1.00 0.00 H ATOM 19 HN1 ARG A -4 7.084 26.451 -5.345 1.00 0.00 H ATOM 20 N GLY A -3 7.363 23.035 -7.013 1.00 78.81 N ATOM 21 CA GLY A -3 7.508 21.769 -7.691 1.00 73.01 C ATOM 22 C GLY A -3 7.865 20.762 -6.637 1.00 71.05 C ATOM 23 O GLY A -3 7.516 21.005 -5.515 1.00 72.84 O ATOM 24 H GLY A -3 8.206 23.601 -6.789 1.00 0.00 H ATOM 25 N SER A -2 8.546 19.674 -7.013 1.00 69.20 N ATOM 26 CA SER A -2 8.999 18.587 -6.107 1.00 64.32 C ATOM 27 C SER A -2 10.012 19.013 -5.046 1.00 60.86 C ATOM 28 O SER A -2 10.773 19.927 -5.240 1.00 59.88 O ATOM 29 CB SER A -2 9.586 17.419 -6.909 1.00 64.50 C ATOM 30 OG SER A -2 9.050 16.174 -6.520 1.00 63.10 O ATOM 31 HG SER A -2 9.459 15.455 -7.065 1.00 0.00 H ATOM 32 H SER A -2 8.778 19.581 -8.023 1.00 0.00 H ATOM 33 N HIS A -1 9.966 18.309 -3.918 1.00 56.31 N ATOM 34 CA HIS A -1 10.810 18.413 -2.735 1.00 47.83 C ATOM 35 C HIS A -1 11.471 17.081 -2.858 1.00 39.83 C ATOM 36 O HIS A -1 10.910 16.133 -3.353 1.00 30.62 O ATOM 37 CB HIS A -1 9.885 18.290 -1.472 1.00 58.03 C ATOM 38 CG HIS A -1 10.279 19.113 -0.189 1.00 69.37 C ATOM 39 ND1 HIS A -1 11.378 18.837 0.579 1.00 69.85 N ATOM 40 CD2 HIS A -1 9.552 20.101 0.528 1.00 63.22 C ATOM 41 CE1 HIS A -1 11.372 19.659 1.662 1.00 65.00 C ATOM 42 NE2 HIS A -1 10.264 20.428 1.618 1.00 58.41 N ATOM 43 H HIS A -1 9.223 17.582 -3.875 1.00 0.00 H ATOM 44 N MET A 0 12.625 16.931 -2.299 1.00 33.21 N ATOM 45 CA MET A 0 13.050 15.609 -2.016 1.00 31.02 C ATOM 46 C MET A 0 12.180 14.887 -0.959 1.00 32.26 C ATOM 47 O MET A 0 12.094 13.695 -0.956 1.00 29.54 O ATOM 48 CB MET A 0 14.446 15.675 -1.506 1.00 35.94 C ATOM 49 CG MET A 0 14.930 14.327 -1.150 1.00 32.96 C ATOM 50 SD MET A 0 14.970 14.220 0.601 1.00 34.08 S ATOM 51 CE MET A 0 16.286 15.406 0.847 1.00 33.10 C ATOM 52 H MET A 0 13.221 17.750 -2.065 1.00 0.00 H ATOM 53 N CYS A 1 11.586 15.642 -0.047 1.00 32.60 N ATOM 54 CA CYS A 1 10.701 15.108 0.995 1.00 35.03 C ATOM 55 C CYS A 1 9.530 14.386 0.313 1.00 31.32 C ATOM 56 O CYS A 1 9.069 13.410 0.772 1.00 29.20 O ATOM 57 CB CYS A 1 10.248 16.219 1.968 1.00 38.73 C ATOM 58 SG CYS A 1 10.683 16.038 3.738 1.00 51.84 S ATOM 59 H CYS A 1 11.756 16.668 -0.071 1.00 0.00 H ATOM 60 N ASP A 2 9.128 14.843 -0.850 1.00 28.24 N ATOM 61 CA ASP A 2 8.157 14.056 -1.592 1.00 35.55 C ATOM 62 C ASP A 2 8.602 12.557 -1.841 1.00 40.20 C ATOM 63 O ASP A 2 7.986 11.904 -2.606 1.00 48.71 O ATOM 64 CB ASP A 2 7.613 14.809 -2.815 1.00 39.79 C ATOM 65 CG ASP A 2 6.864 16.129 -2.448 1.00 42.02 C ATOM 66 OD1 ASP A 2 5.687 16.174 -2.153 1.00 46.81 O ATOM 67 OD2 ASP A 2 7.452 17.166 -2.502 1.00 48.28 O ATOM 68 H ASP A 2 9.493 15.740 -1.229 1.00 0.00 H ATOM 69 N ALA A 3 9.646 12.039 -1.138 1.00 36.35 N ATOM 70 CA ALA A 3 9.961 10.583 -0.903 1.00 28.55 C ATOM 71 C ALA A 3 9.293 9.981 0.392 1.00 26.41 C ATOM 72 O ALA A 3 9.320 8.782 0.646 1.00 23.67 O ATOM 73 CB ALA A 3 11.413 10.378 -0.690 1.00 27.14 C ATOM 74 H ALA A 3 10.302 12.726 -0.714 1.00 0.00 H ATOM 75 N PHE A 4 8.823 10.870 1.220 1.00 20.46 N ATOM 76 CA PHE A 4 8.171 10.526 2.454 1.00 19.29 C ATOM 77 C PHE A 4 6.693 10.594 2.269 1.00 18.78 C ATOM 78 O PHE A 4 5.993 10.026 3.012 1.00 18.30 O ATOM 79 CB PHE A 4 8.595 11.468 3.574 1.00 18.41 C ATOM 80 CG PHE A 4 9.980 11.257 4.050 1.00 18.76 C ATOM 81 CD1 PHE A 4 10.306 10.216 4.871 1.00 18.07 C ATOM 82 CD2 PHE A 4 10.961 12.102 3.658 1.00 18.99 C ATOM 83 CE1 PHE A 4 11.582 10.025 5.283 1.00 18.54 C ATOM 84 CE2 PHE A 4 12.250 11.917 4.097 1.00 19.38 C ATOM 85 CZ PHE A 4 12.555 10.893 4.904 1.00 20.25 C ATOM 86 H PHE A 4 8.924 11.876 0.977 1.00 0.00 H ATOM 87 N VAL A 5 6.240 11.323 1.275 1.00 15.68 N ATOM 88 CA VAL A 5 4.821 11.573 1.143 1.00 15.27 C ATOM 89 C VAL A 5 4.022 10.293 0.914 1.00 17.27 C ATOM 90 O VAL A 5 4.403 9.481 0.139 1.00 18.02 O ATOM 91 CB VAL A 5 4.558 12.638 0.083 1.00 15.92 C ATOM 92 CG1 VAL A 5 3.112 12.760 -0.228 1.00 19.10 C ATOM 93 CG2 VAL A 5 5.032 13.956 0.585 1.00 17.70 C ATOM 94 H VAL A 5 6.903 11.722 0.580 1.00 0.00 H ATOM 95 N GLY A 6 2.917 10.161 1.627 1.00 16.76 N ATOM 96 CA GLY A 6 1.973 9.096 1.391 1.00 16.35 C ATOM 97 C GLY A 6 1.356 8.489 2.623 1.00 19.78 C ATOM 98 O GLY A 6 1.238 9.112 3.608 1.00 17.91 O ATOM 99 H GLY A 6 2.722 10.848 2.383 1.00 0.00 H ATOM 100 N THR A 7 1.002 7.234 2.523 1.00 16.04 N ATOM 101 CA THR A 7 0.396 6.546 3.620 1.00 17.96 C ATOM 102 C THR A 7 1.119 5.275 3.949 1.00 16.25 C ATOM 103 O THR A 7 1.317 4.467 3.107 1.00 17.38 O ATOM 104 CB THR A 7 -1.083 6.192 3.315 1.00 18.60 C ATOM 105 OG1 THR A 7 -1.740 7.335 2.805 1.00 27.74 O ATOM 106 CG2 THR A 7 -1.766 5.717 4.488 1.00 19.93 C ATOM 107 HG1 THR A 7 -2.684 7.112 2.609 1.00 0.00 H ATOM 108 H THR A 7 1.164 6.727 1.629 1.00 0.00 H ATOM 109 N TRP A 8 1.486 5.169 5.220 1.00 15.39 N ATOM 110 CA TRP A 8 2.396 4.201 5.753 1.00 14.67 C ATOM 111 C TRP A 8 1.767 3.386 6.850 1.00 14.62 C ATOM 112 O TRP A 8 1.030 3.919 7.611 1.00 18.15 O ATOM 113 CB TRP A 8 3.689 4.884 6.231 1.00 15.33 C ATOM 114 CG TRP A 8 4.434 5.653 5.173 1.00 15.90 C ATOM 115 CD1 TRP A 8 4.324 6.987 4.853 1.00 15.74 C ATOM 116 CD2 TRP A 8 5.377 5.135 4.228 1.00 16.09 C ATOM 117 NE1 TRP A 8 5.113 7.305 3.833 1.00 15.35 N ATOM 118 CE2 TRP A 8 5.786 6.263 3.410 1.00 16.20 C ATOM 119 CE3 TRP A 8 5.944 3.916 4.001 1.00 16.75 C ATOM 120 CZ2 TRP A 8 6.726 6.130 2.417 1.00 17.40 C ATOM 121 CZ3 TRP A 8 6.899 3.804 2.995 1.00 17.90 C ATOM 122 CH2 TRP A 8 7.264 4.875 2.223 1.00 19.08 C ATOM 123 HE1 TRP A 8 5.187 8.258 3.423 1.00 0.00 H ATOM 124 H TRP A 8 1.075 5.851 5.889 1.00 0.00 H ATOM 125 N LYS A 9 2.045 2.091 6.893 1.00 15.51 N ATOM 126 CA LYS A 9 1.532 1.236 7.932 1.00 17.08 C ATOM 127 C LYS A 9 2.671 0.536 8.666 1.00 14.47 C ATOM 128 O LYS A 9 3.580 0.087 8.111 1.00 16.68 O ATOM 129 CB LYS A 9 0.560 0.215 7.388 1.00 19.91 C ATOM 130 CG LYS A 9 1.268 -0.729 6.443 1.00 26.24 C ATOM 131 CD LYS A 9 0.365 -1.688 5.658 1.00 32.70 C ATOM 132 CE LYS A 9 1.147 -2.617 4.756 1.00 33.41 C ATOM 133 NZ LYS A 9 0.409 -3.811 4.306 1.00 36.09 N ATOM 134 HZ1 LYS A 9 0.119 -4.370 5.134 1.00 0.00 H ATOM 135 HZ2 LYS A 9 -0.434 -3.516 3.773 1.00 0.00 H ATOM 136 HZ3 LYS A 9 1.023 -4.386 3.695 1.00 0.00 H ATOM 137 H LYS A 9 2.651 1.680 6.155 1.00 0.00 H ATOM 138 N LEU A 10 2.583 0.490 9.958 1.00 13.78 N ATOM 139 CA LEU A 10 3.624 -0.126 10.721 1.00 14.90 C ATOM 140 C LEU A 10 3.647 -1.617 10.487 1.00 16.12 C ATOM 141 O LEU A 10 2.671 -2.260 10.618 1.00 18.29 O ATOM 142 CB LEU A 10 3.412 0.098 12.200 1.00 14.00 C ATOM 143 CG LEU A 10 4.493 -0.390 13.112 1.00 15.38 C ATOM 144 CD1 LEU A 10 5.729 0.438 13.000 1.00 14.75 C ATOM 145 CD2 LEU A 10 4.023 -0.561 14.531 1.00 14.93 C ATOM 146 H LEU A 10 1.757 0.900 10.439 1.00 0.00 H ATOM 147 N VAL A 11 4.794 -2.145 10.170 1.00 17.62 N ATOM 148 CA VAL A 11 4.946 -3.573 9.987 1.00 18.43 C ATOM 149 C VAL A 11 5.902 -4.273 10.944 1.00 21.36 C ATOM 150 O VAL A 11 5.816 -5.454 11.102 1.00 21.11 O ATOM 151 CB VAL A 11 5.284 -3.919 8.543 1.00 19.79 C ATOM 152 CG1 VAL A 11 4.264 -3.318 7.630 1.00 21.68 C ATOM 153 CG2 VAL A 11 6.669 -3.448 8.178 1.00 19.68 C ATOM 154 H VAL A 11 5.621 -1.526 10.045 1.00 0.00 H ATOM 155 N SER A 12 6.791 -3.538 11.581 1.00 19.39 N ATOM 156 CA SER A 12 7.542 -4.113 12.657 1.00 19.81 C ATOM 157 C SER A 12 8.016 -3.150 13.712 1.00 20.72 C ATOM 158 O SER A 12 8.165 -2.022 13.450 1.00 17.00 O ATOM 159 CB SER A 12 8.694 -4.951 12.158 1.00 24.96 C ATOM 160 OG SER A 12 9.730 -4.231 11.658 1.00 26.81 O ATOM 161 HG SER A 12 10.087 -3.635 12.364 1.00 0.00 H ATOM 162 H SER A 12 6.946 -2.548 11.305 1.00 0.00 H ATOM 163 N SER A 13 8.207 -3.669 14.916 1.00 19.30 N ATOM 164 CA SER A 13 8.639 -2.883 16.067 1.00 19.88 C ATOM 165 C SER A 13 9.692 -3.675 16.858 1.00 20.95 C ATOM 166 O SER A 13 9.573 -4.875 17.009 1.00 22.03 O ATOM 167 CB SER A 13 7.448 -2.493 16.949 1.00 18.12 C ATOM 168 OG SER A 13 7.793 -1.684 18.000 1.00 18.91 O ATOM 169 HG SER A 13 8.449 -2.153 18.574 1.00 0.00 H ATOM 170 H SER A 13 8.041 -4.687 15.047 1.00 0.00 H ATOM 171 N GLU A 14 10.767 -3.010 17.242 1.00 17.57 N ATOM 172 CA GLU A 14 11.750 -3.615 18.104 1.00 19.20 C ATOM 173 C GLU A 14 12.055 -2.660 19.249 1.00 17.93 C ATOM 174 O GLU A 14 12.226 -1.500 19.022 1.00 18.17 O ATOM 175 CB GLU A 14 13.051 -3.943 17.356 1.00 21.37 C ATOM 176 CG GLU A 14 12.987 -5.086 16.349 1.00 23.79 C ATOM 177 CD GLU A 14 12.993 -6.502 16.959 1.00 27.47 C ATOM 178 OE1 GLU A 14 13.235 -6.669 18.171 1.00 26.55 O ATOM 179 OE2 GLU A 14 12.695 -7.453 16.199 1.00 29.41 O ATOM 180 H GLU A 14 10.906 -2.032 16.916 1.00 0.00 H ATOM 181 N ASN A 15 12.132 -3.182 20.449 1.00 16.06 N ATOM 182 CA ASN A 15 12.583 -2.434 21.593 1.00 17.32 C ATOM 183 C ASN A 15 11.733 -1.226 21.951 1.00 16.28 C ATOM 184 O ASN A 15 12.145 -0.399 22.672 1.00 16.19 O ATOM 185 CB ASN A 15 14.037 -2.009 21.425 1.00 17.11 C ATOM 186 CG ASN A 15 14.939 -3.167 21.247 1.00 18.35 C ATOM 187 OD1 ASN A 15 15.544 -3.323 20.262 1.00 21.47 O ATOM 188 ND2 ASN A 15 14.995 -3.976 22.212 1.00 19.76 N ATOM 189 HD22 ASN A 15 14.439 -3.798 23.072 1.00 0.00 H ATOM 190 HD21 ASN A 15 15.598 -4.821 22.148 1.00 0.00 H ATOM 191 H ASN A 15 11.856 -4.176 20.580 1.00 0.00 H ATOM 192 N PHE A 16 10.492 -1.202 21.495 1.00 14.82 N ATOM 193 CA PHE A 16 9.641 -0.063 21.752 1.00 16.42 C ATOM 194 C PHE A 16 9.309 0.129 23.241 1.00 16.22 C ATOM 195 O PHE A 16 9.257 1.208 23.727 1.00 15.57 O ATOM 196 CB PHE A 16 8.374 -0.170 20.912 1.00 15.61 C ATOM 197 CG PHE A 16 7.554 1.091 20.824 1.00 16.93 C ATOM 198 CD1 PHE A 16 8.087 2.263 20.410 1.00 16.78 C ATOM 199 CD2 PHE A 16 6.227 1.051 21.047 1.00 17.16 C ATOM 200 CE1 PHE A 16 7.320 3.380 20.296 1.00 17.45 C ATOM 201 CE2 PHE A 16 5.444 2.175 20.935 1.00 18.51 C ATOM 202 CZ PHE A 16 5.992 3.332 20.524 1.00 16.07 C ATOM 203 H PHE A 16 10.126 -2.008 20.948 1.00 0.00 H ATOM 204 N ASP A 17 9.104 -0.965 23.948 1.00 16.72 N ATOM 205 CA ASP A 17 8.776 -0.852 25.353 1.00 16.99 C ATOM 206 C ASP A 17 9.955 -0.240 26.099 1.00 17.91 C ATOM 207 O ASP A 17 9.782 0.581 26.933 1.00 17.35 O ATOM 208 CB ASP A 17 8.460 -2.223 25.916 1.00 19.56 C ATOM 209 CG ASP A 17 7.849 -2.165 27.279 1.00 20.35 C ATOM 210 OD1 ASP A 17 8.406 -2.759 28.157 1.00 26.92 O ATOM 211 OD2 ASP A 17 6.837 -1.548 27.452 1.00 21.07 O ATOM 212 H ASP A 17 9.177 -1.901 23.500 1.00 0.00 H ATOM 213 N ASP A 18 11.143 -0.634 25.736 1.00 17.18 N ATOM 214 CA ASP A 18 12.329 -0.140 26.419 1.00 19.08 C ATOM 215 C ASP A 18 12.508 1.343 26.103 1.00 18.06 C ATOM 216 O ASP A 18 12.876 2.101 26.942 1.00 15.72 O ATOM 217 CB ASP A 18 13.585 -0.899 26.045 1.00 23.70 C ATOM 218 CG ASP A 18 13.476 -2.405 26.289 1.00 36.33 C ATOM 219 OD1 ASP A 18 13.690 -2.801 27.404 1.00 29.82 O ATOM 220 OD2 ASP A 18 13.134 -3.135 25.335 1.00 39.57 O ATOM 221 H ASP A 18 11.244 -1.308 24.951 1.00 0.00 H ATOM 222 N TYR A 19 12.233 1.717 24.853 1.00 16.88 N ATOM 223 CA TYR A 19 12.351 3.116 24.479 1.00 13.42 C ATOM 224 C TYR A 19 11.385 3.877 25.347 1.00 14.12 C ATOM 225 O TYR A 19 11.715 4.829 25.959 1.00 15.45 O ATOM 226 CB TYR A 19 12.037 3.347 23.003 1.00 13.42 C ATOM 227 CG TYR A 19 11.814 4.792 22.682 1.00 13.62 C ATOM 228 CD1 TYR A 19 12.859 5.670 22.606 1.00 13.37 C ATOM 229 CD2 TYR A 19 10.561 5.272 22.463 1.00 13.24 C ATOM 230 CE1 TYR A 19 12.650 6.990 22.313 1.00 12.27 C ATOM 231 CE2 TYR A 19 10.343 6.592 22.187 1.00 13.22 C ATOM 232 CZ TYR A 19 11.387 7.463 22.119 1.00 12.38 C ATOM 233 OH TYR A 19 11.161 8.779 21.827 1.00 12.47 O ATOM 234 HH TYR A 19 12.023 9.267 21.818 1.00 0.00 H ATOM 235 H TYR A 19 11.936 1.011 24.150 1.00 0.00 H ATOM 236 N MET A 20 10.162 3.401 25.403 1.00 13.80 N ATOM 237 CA MET A 20 9.176 4.056 26.205 1.00 14.19 C ATOM 238 C MET A 20 9.549 4.146 27.684 1.00 13.89 C ATOM 239 O MET A 20 9.332 5.115 28.280 1.00 13.57 O ATOM 240 CB MET A 20 7.828 3.390 26.021 1.00 12.86 C ATOM 241 CG MET A 20 7.255 3.612 24.655 1.00 13.32 C ATOM 242 SD MET A 20 5.540 3.071 24.573 1.00 14.85 S ATOM 243 CE MET A 20 5.728 1.310 24.581 1.00 12.61 C ATOM 244 H MET A 20 9.911 2.548 24.864 1.00 0.00 H ATOM 245 N LYS A 21 10.057 3.082 28.245 1.00 14.75 N ATOM 246 CA LYS A 21 10.453 3.144 29.642 1.00 14.81 C ATOM 247 C LYS A 21 11.479 4.244 29.841 1.00 16.52 C ATOM 248 O LYS A 21 11.448 4.914 30.794 1.00 18.99 O ATOM 249 CB LYS A 21 11.048 1.832 30.114 1.00 17.00 C ATOM 250 CG LYS A 21 10.066 0.740 30.373 1.00 17.19 C ATOM 251 CD LYS A 21 10.767 -0.527 30.782 1.00 18.39 C ATOM 252 CE LYS A 21 9.829 -1.408 31.511 1.00 24.82 C ATOM 253 NZ LYS A 21 10.395 -2.754 31.636 1.00 27.92 N ATOM 254 HZ1 LYS A 21 10.566 -3.146 30.688 1.00 0.00 H ATOM 255 HZ2 LYS A 21 11.293 -2.704 32.159 1.00 0.00 H ATOM 256 HZ3 LYS A 21 9.727 -3.363 32.150 1.00 0.00 H ATOM 257 H LYS A 21 10.176 2.204 27.701 1.00 0.00 H ATOM 258 N GLU A 22 12.398 4.375 28.924 1.00 16.79 N ATOM 259 CA GLU A 22 13.472 5.333 29.073 1.00 17.49 C ATOM 260 C GLU A 22 12.975 6.752 28.994 1.00 15.91 C ATOM 261 O GLU A 22 13.475 7.624 29.628 1.00 16.97 O ATOM 262 CB GLU A 22 14.539 5.127 28.037 1.00 19.87 C ATOM 263 CG GLU A 22 15.830 5.709 28.489 1.00 25.38 C ATOM 264 CD GLU A 22 16.592 4.785 29.432 1.00 29.41 C ATOM 265 OE1 GLU A 22 16.102 3.752 29.797 1.00 29.67 O ATOM 266 OE2 GLU A 22 17.702 5.111 29.769 1.00 39.05 O ATOM 267 H GLU A 22 12.358 3.781 28.071 1.00 0.00 H ATOM 268 N VAL A 23 11.952 6.940 28.200 1.00 16.90 N ATOM 269 CA VAL A 23 11.246 8.193 28.115 1.00 17.16 C ATOM 270 C VAL A 23 10.482 8.525 29.401 1.00 18.89 C ATOM 271 O VAL A 23 10.332 9.647 29.728 1.00 20.61 O ATOM 272 CB VAL A 23 10.291 8.238 26.898 1.00 16.19 C ATOM 273 CG1 VAL A 23 9.338 9.404 26.944 1.00 17.94 C ATOM 274 CG2 VAL A 23 11.095 8.318 25.638 1.00 14.29 C ATOM 275 H VAL A 23 11.634 6.149 27.604 1.00 0.00 H ATOM 276 N GLY A 24 10.009 7.522 30.100 1.00 17.58 N ATOM 277 CA GLY A 24 9.250 7.741 31.303 1.00 18.17 C ATOM 278 C GLY A 24 7.786 7.361 31.229 1.00 19.21 C ATOM 279 O GLY A 24 7.029 7.689 32.080 1.00 21.53 O ATOM 280 H GLY A 24 10.186 6.549 29.779 1.00 0.00 H ATOM 281 N VAL A 25 7.421 6.668 30.181 1.00 16.52 N ATOM 282 CA VAL A 25 6.036 6.314 29.985 1.00 16.42 C ATOM 283 C VAL A 25 5.596 5.307 31.024 1.00 15.34 C ATOM 284 O VAL A 25 6.252 4.371 31.237 1.00 16.81 O ATOM 285 CB VAL A 25 5.761 5.765 28.582 1.00 15.62 C ATOM 286 CG1 VAL A 25 4.260 5.626 28.357 1.00 17.20 C ATOM 287 CG2 VAL A 25 6.366 6.710 27.566 1.00 16.29 C ATOM 288 H VAL A 25 8.134 6.370 29.485 1.00 0.00 H ATOM 289 N GLY A 26 4.441 5.566 31.612 1.00 17.84 N ATOM 290 CA GLY A 26 3.790 4.686 32.546 1.00 19.85 C ATOM 291 C GLY A 26 3.402 3.336 31.975 1.00 19.59 C ATOM 292 O GLY A 26 3.208 3.197 30.823 1.00 16.72 O ATOM 293 H GLY A 26 3.971 6.466 31.385 1.00 0.00 H ATOM 294 N PHE A 27 3.283 2.355 32.855 1.00 16.56 N ATOM 295 CA PHE A 27 2.976 0.998 32.500 1.00 17.05 C ATOM 296 C PHE A 27 1.768 0.859 31.595 1.00 15.62 C ATOM 297 O PHE A 27 1.856 0.335 30.569 1.00 16.55 O ATOM 298 CB PHE A 27 2.760 0.161 33.772 1.00 17.69 C ATOM 299 CG PHE A 27 2.419 -1.259 33.503 1.00 17.62 C ATOM 300 CD1 PHE A 27 3.389 -2.213 33.414 1.00 17.87 C ATOM 301 CD2 PHE A 27 1.123 -1.632 33.316 1.00 18.00 C ATOM 302 CE1 PHE A 27 3.046 -3.521 33.165 1.00 19.07 C ATOM 303 CE2 PHE A 27 0.787 -2.938 33.066 1.00 19.50 C ATOM 304 CZ PHE A 27 1.749 -3.874 32.986 1.00 17.61 C ATOM 305 H PHE A 27 3.420 2.580 33.861 1.00 0.00 H ATOM 306 N ALA A 28 0.649 1.371 32.028 1.00 15.99 N ATOM 307 CA ALA A 28 -0.571 1.161 31.299 1.00 14.84 C ATOM 308 C ALA A 28 -0.475 1.760 29.881 1.00 16.40 C ATOM 309 O ALA A 28 -0.788 1.151 28.930 1.00 15.44 O ATOM 310 CB ALA A 28 -1.731 1.729 32.051 1.00 15.54 C ATOM 311 H ALA A 28 0.640 1.933 32.903 1.00 0.00 H ATOM 312 N THR A 29 0.034 2.964 29.803 1.00 15.27 N ATOM 313 CA THR A 29 0.227 3.595 28.532 1.00 15.67 C ATOM 314 C THR A 29 1.202 2.820 27.635 1.00 14.63 C ATOM 315 O THR A 29 0.984 2.739 26.502 1.00 16.32 O ATOM 316 CB THR A 29 0.730 5.019 28.731 1.00 17.96 C ATOM 317 OG1 THR A 29 -0.267 5.754 29.408 1.00 18.04 O ATOM 318 CG2 THR A 29 1.023 5.631 27.451 1.00 17.51 C ATOM 319 HG1 THR A 29 -0.447 5.333 30.285 1.00 0.00 H ATOM 320 H THR A 29 0.301 3.467 30.673 1.00 0.00 H ATOM 321 N ARG A 30 2.278 2.280 28.185 1.00 14.62 N ATOM 322 CA ARG A 30 3.224 1.478 27.427 1.00 14.30 C ATOM 323 C ARG A 30 2.558 0.243 26.830 1.00 17.31 C ATOM 324 O ARG A 30 2.809 -0.123 25.733 1.00 15.40 O ATOM 325 CB ARG A 30 4.381 1.022 28.304 1.00 14.09 C ATOM 326 CG ARG A 30 5.436 2.063 28.598 1.00 14.89 C ATOM 327 CD ARG A 30 6.749 1.408 28.939 1.00 14.30 C ATOM 328 NE ARG A 30 6.620 0.274 29.826 1.00 14.28 N ATOM 329 CZ ARG A 30 6.402 0.347 31.131 1.00 15.90 C ATOM 330 NH1 ARG A 30 6.302 1.505 31.740 1.00 14.46 N ATOM 331 NH2 ARG A 30 6.287 -0.759 31.823 1.00 17.02 N ATOM 332 HE ARG A 30 6.705 -0.674 29.407 1.00 0.00 H ATOM 333 HH12 ARG A 30 6.131 1.540 32.765 1.00 0.00 H ATOM 334 HH11 ARG A 30 6.394 2.388 31.197 1.00 0.00 H ATOM 335 HH22 ARG A 30 6.116 -0.716 32.848 1.00 0.00 H ATOM 336 HH21 ARG A 30 6.367 -1.681 31.348 1.00 0.00 H ATOM 337 H ARG A 30 2.453 2.435 29.198 1.00 0.00 H ATOM 338 N LYS A 31 1.699 -0.381 27.616 1.00 17.39 N ATOM 339 CA LYS A 31 1.049 -1.599 27.194 1.00 17.22 C ATOM 340 C LYS A 31 0.112 -1.329 26.013 1.00 16.20 C ATOM 341 O LYS A 31 0.096 -2.052 25.063 1.00 15.67 O ATOM 342 CB LYS A 31 0.281 -2.236 28.342 1.00 18.05 C ATOM 343 CG LYS A 31 1.157 -2.755 29.447 1.00 21.80 C ATOM 344 CD LYS A 31 2.139 -3.812 29.035 1.00 24.10 C ATOM 345 CE LYS A 31 3.544 -3.386 29.312 1.00 24.38 C ATOM 346 NZ LYS A 31 4.532 -4.451 29.109 1.00 27.42 N ATOM 347 HZ1 LYS A 31 4.318 -5.247 29.743 1.00 0.00 H ATOM 348 HZ2 LYS A 31 4.494 -4.774 28.121 1.00 0.00 H ATOM 349 HZ3 LYS A 31 5.483 -4.085 29.319 1.00 0.00 H ATOM 350 H LYS A 31 1.487 0.012 28.555 1.00 0.00 H ATOM 351 N VAL A 32 -0.683 -0.290 26.150 1.00 15.77 N ATOM 352 CA VAL A 32 -1.674 0.072 25.139 1.00 15.37 C ATOM 353 C VAL A 32 -1.033 0.697 23.884 1.00 16.79 C ATOM 354 O VAL A 32 -1.441 0.450 22.808 1.00 17.81 O ATOM 355 CB VAL A 32 -2.734 1.013 25.739 1.00 14.97 C ATOM 356 CG1 VAL A 32 -3.684 1.512 24.698 1.00 13.05 C ATOM 357 CG2 VAL A 32 -3.486 0.303 26.811 1.00 11.99 C ATOM 358 H VAL A 32 -0.604 0.294 27.007 1.00 0.00 H ATOM 359 N ALA A 33 -0.010 1.511 24.068 1.00 15.30 N ATOM 360 CA ALA A 33 0.747 2.019 22.946 1.00 15.31 C ATOM 361 C ALA A 33 1.519 0.981 22.140 1.00 16.24 C ATOM 362 O ALA A 33 1.632 1.107 20.996 1.00 14.60 O ATOM 363 CB ALA A 33 1.683 3.126 23.373 1.00 15.35 C ATOM 364 H ALA A 33 0.255 1.791 25.034 1.00 0.00 H ATOM 365 N GLY A 34 2.120 0.030 22.797 1.00 13.99 N ATOM 366 CA GLY A 34 2.892 -0.980 22.125 1.00 16.14 C ATOM 367 C GLY A 34 2.058 -1.968 21.326 1.00 15.10 C ATOM 368 O GLY A 34 2.530 -2.650 20.517 1.00 16.30 O ATOM 369 H GLY A 34 2.039 0.001 23.833 1.00 0.00 H ATOM 370 N MET A 35 0.765 -2.015 21.612 1.00 16.49 N ATOM 371 CA MET A 35 -0.114 -2.875 20.870 1.00 16.22 C ATOM 372 C MET A 35 -0.535 -2.283 19.506 1.00 16.56 C ATOM 373 O MET A 35 -0.820 -2.970 18.620 1.00 16.37 O ATOM 374 CB MET A 35 -1.344 -3.213 21.660 1.00 15.96 C ATOM 375 CG MET A 35 -1.089 -4.126 22.792 1.00 17.16 C ATOM 376 SD MET A 35 -0.667 -5.760 22.204 1.00 19.23 S ATOM 377 CE MET A 35 -2.102 -6.245 21.372 1.00 19.42 C ATOM 378 H MET A 35 0.384 -1.425 22.379 1.00 0.00 H ATOM 379 N ALA A 36 -0.536 -0.970 19.420 1.00 15.59 N ATOM 380 CA ALA A 36 -1.004 -0.283 18.266 1.00 14.80 C ATOM 381 C ALA A 36 -0.176 -0.547 16.992 1.00 15.21 C ATOM 382 O ALA A 36 0.984 -0.698 17.035 1.00 16.36 O ATOM 383 CB ALA A 36 -1.104 1.191 18.562 1.00 13.26 C ATOM 384 H ALA A 36 -0.182 -0.415 20.225 1.00 0.00 H ATOM 385 N LYS A 37 -0.857 -0.595 15.866 1.00 15.82 N ATOM 386 CA LYS A 37 -0.243 -0.713 14.575 1.00 17.86 C ATOM 387 C LYS A 37 -0.678 0.488 13.736 1.00 16.10 C ATOM 388 O LYS A 37 -1.482 0.408 12.885 1.00 17.65 O ATOM 389 CB LYS A 37 -0.652 -2.012 13.903 1.00 21.60 C ATOM 390 CG LYS A 37 -0.165 -3.233 14.642 1.00 30.14 C ATOM 391 CD LYS A 37 1.312 -3.439 14.436 1.00 37.63 C ATOM 392 CE LYS A 37 1.803 -4.680 15.148 1.00 38.85 C ATOM 393 NZ LYS A 37 2.971 -4.438 16.028 1.00 46.48 N ATOM 394 HZ1 LYS A 37 3.762 -4.072 15.460 1.00 0.00 H ATOM 395 HZ2 LYS A 37 2.716 -3.742 16.757 1.00 0.00 H ATOM 396 HZ3 LYS A 37 3.252 -5.330 16.482 1.00 0.00 H ATOM 397 H LYS A 37 -1.895 -0.545 15.915 1.00 0.00 H ATOM 398 N PRO A 38 -0.153 1.625 14.081 1.00 16.43 N ATOM 399 CA PRO A 38 -0.569 2.839 13.403 1.00 15.69 C ATOM 400 C PRO A 38 -0.243 2.859 11.925 1.00 15.54 C ATOM 401 O PRO A 38 0.663 2.258 11.522 1.00 14.04 O ATOM 402 CB PRO A 38 0.228 3.918 14.100 1.00 15.47 C ATOM 403 CG PRO A 38 1.370 3.243 14.681 1.00 14.60 C ATOM 404 CD PRO A 38 1.046 1.804 14.889 1.00 15.26 C ATOM 405 N ASN A 39 -1.067 3.589 11.209 1.00 15.71 N ATOM 406 CA ASN A 39 -0.726 4.204 9.986 1.00 16.08 C ATOM 407 C ASN A 39 -0.158 5.592 10.225 1.00 15.39 C ATOM 408 O ASN A 39 -0.538 6.220 11.139 1.00 15.44 O ATOM 409 CB ASN A 39 -1.957 4.307 9.135 1.00 15.57 C ATOM 410 CG ASN A 39 -2.361 2.972 8.569 1.00 19.90 C ATOM 411 OD1 ASN A 39 -1.700 2.014 8.729 1.00 19.67 O ATOM 412 ND2 ASN A 39 -3.433 2.954 7.879 1.00 27.43 N ATOM 413 HD22 ASN A 39 -3.990 3.824 7.761 1.00 0.00 H ATOM 414 HD21 ASN A 39 -3.750 2.069 7.434 1.00 0.00 H ATOM 415 H ASN A 39 -2.034 3.722 11.567 1.00 0.00 H ATOM 416 N MET A 40 0.701 6.038 9.330 1.00 13.88 N ATOM 417 CA MET A 40 1.280 7.350 9.350 1.00 12.76 C ATOM 418 C MET A 40 1.081 7.966 7.991 1.00 14.99 C ATOM 419 O MET A 40 1.435 7.364 7.020 1.00 17.29 O ATOM 420 CB MET A 40 2.781 7.263 9.594 1.00 12.40 C ATOM 421 CG MET A 40 3.502 8.551 9.454 1.00 11.34 C ATOM 422 SD MET A 40 5.183 8.419 10.047 1.00 14.23 S ATOM 423 CE MET A 40 5.775 6.995 9.229 1.00 12.21 C ATOM 424 H MET A 40 0.977 5.397 8.559 1.00 0.00 H ATOM 425 N ILE A 41 0.541 9.169 7.975 1.00 14.08 N ATOM 426 CA ILE A 41 0.217 9.848 6.763 1.00 14.63 C ATOM 427 C ILE A 41 1.103 11.078 6.694 1.00 15.60 C ATOM 428 O ILE A 41 1.143 11.806 7.603 1.00 16.78 O ATOM 429 CB ILE A 41 -1.258 10.249 6.715 1.00 17.58 C ATOM 430 CG1 ILE A 41 -2.149 9.025 6.723 1.00 21.56 C ATOM 431 CG2 ILE A 41 -1.551 11.061 5.486 1.00 22.14 C ATOM 432 CD1 ILE A 41 -2.738 8.694 8.053 1.00 24.86 C ATOM 433 H ILE A 41 0.344 9.641 8.881 1.00 0.00 H ATOM 434 N ILE A 42 1.820 11.237 5.604 1.00 13.36 N ATOM 435 CA ILE A 42 2.720 12.341 5.434 1.00 13.36 C ATOM 436 C ILE A 42 2.367 13.104 4.176 1.00 16.52 C ATOM 437 O ILE A 42 2.266 12.547 3.155 1.00 15.92 O ATOM 438 CB ILE A 42 4.183 11.899 5.327 1.00 13.65 C ATOM 439 CG1 ILE A 42 4.582 11.095 6.539 1.00 13.64 C ATOM 440 CG2 ILE A 42 5.094 13.098 5.177 1.00 14.86 C ATOM 441 CD1 ILE A 42 6.002 10.646 6.538 1.00 13.77 C ATOM 442 H ILE A 42 1.732 10.538 4.839 1.00 0.00 H ATOM 443 N SER A 43 2.224 14.408 4.293 1.00 17.38 N ATOM 444 CA SER A 43 1.932 15.218 3.150 1.00 17.52 C ATOM 445 C SER A 43 2.680 16.539 3.263 1.00 17.86 C ATOM 446 O SER A 43 3.056 16.893 4.324 1.00 15.37 O ATOM 447 CB SER A 43 0.439 15.448 3.031 1.00 19.66 C ATOM 448 OG SER A 43 -0.076 16.031 4.160 1.00 24.51 O ATOM 449 HG SER A 43 0.088 15.442 4.938 1.00 0.00 H ATOM 450 H SER A 43 2.324 14.854 5.227 1.00 0.00 H ATOM 451 N VAL A 44 2.879 17.199 2.133 1.00 17.02 N ATOM 452 CA VAL A 44 3.611 18.433 2.050 1.00 17.10 C ATOM 453 C VAL A 44 2.773 19.432 1.295 1.00 17.43 C ATOM 454 O VAL A 44 2.126 19.060 0.371 1.00 19.28 O ATOM 455 CB VAL A 44 4.980 18.244 1.355 1.00 19.98 C ATOM 456 CG1 VAL A 44 5.710 19.546 1.211 1.00 19.17 C ATOM 457 CG2 VAL A 44 5.826 17.278 2.144 1.00 19.48 C ATOM 458 H VAL A 44 2.484 16.803 1.257 1.00 0.00 H ATOM 459 N ASN A 45 2.761 20.671 1.732 1.00 15.09 N ATOM 460 CA ASN A 45 2.004 21.711 1.053 1.00 15.78 C ATOM 461 C ASN A 45 2.838 22.965 1.187 1.00 16.34 C ATOM 462 O ASN A 45 2.924 23.530 2.212 1.00 15.83 O ATOM 463 CB ASN A 45 0.591 21.811 1.619 1.00 14.26 C ATOM 464 CG ASN A 45 -0.258 22.918 1.014 1.00 15.86 C ATOM 465 OD1 ASN A 45 -1.475 22.782 0.965 1.00 18.67 O ATOM 466 ND2 ASN A 45 0.346 24.004 0.627 1.00 13.72 N ATOM 467 HD22 ASN A 45 1.382 24.073 0.688 1.00 0.00 H ATOM 468 HD21 ASN A 45 -0.207 24.803 0.257 1.00 0.00 H ATOM 469 H ASN A 45 3.306 20.914 2.584 1.00 0.00 H ATOM 470 N GLY A 46 3.506 23.323 0.109 1.00 19.49 N ATOM 471 CA GLY A 46 4.522 24.333 0.157 1.00 20.74 C ATOM 472 C GLY A 46 5.598 23.987 1.139 1.00 20.47 C ATOM 473 O GLY A 46 6.222 22.987 1.017 1.00 23.39 O ATOM 474 H GLY A 46 3.291 22.862 -0.798 1.00 0.00 H ATOM 475 N ASP A 47 5.795 24.841 2.122 1.00 19.90 N ATOM 476 CA ASP A 47 6.838 24.642 3.089 1.00 19.69 C ATOM 477 C ASP A 47 6.386 23.857 4.307 1.00 16.79 C ATOM 478 O ASP A 47 7.140 23.598 5.170 1.00 18.28 O ATOM 479 CB ASP A 47 7.367 25.965 3.575 1.00 23.23 C ATOM 480 CG ASP A 47 8.067 26.765 2.502 1.00 29.56 C ATOM 481 OD1 ASP A 47 8.713 26.222 1.654 1.00 26.71 O ATOM 482 OD2 ASP A 47 7.937 27.970 2.570 1.00 35.71 O ATOM 483 H ASP A 47 5.182 25.678 2.200 1.00 0.00 H ATOM 484 N VAL A 48 5.121 23.509 4.345 1.00 16.46 N ATOM 485 CA VAL A 48 4.542 22.909 5.522 1.00 13.92 C ATOM 486 C VAL A 48 4.444 21.387 5.386 1.00 15.00 C ATOM 487 O VAL A 48 3.850 20.930 4.489 1.00 17.87 O ATOM 488 CB VAL A 48 3.151 23.522 5.832 1.00 14.75 C ATOM 489 CG1 VAL A 48 2.575 22.922 7.064 1.00 12.86 C ATOM 490 CG2 VAL A 48 3.238 25.015 6.004 1.00 15.54 C ATOM 491 H VAL A 48 4.524 23.669 3.509 1.00 0.00 H ATOM 492 N ILE A 49 5.031 20.652 6.308 1.00 12.74 N ATOM 493 CA ILE A 49 4.932 19.231 6.295 1.00 13.99 C ATOM 494 C ILE A 49 3.899 18.854 7.354 1.00 14.27 C ATOM 495 O ILE A 49 3.904 19.403 8.383 1.00 13.49 O ATOM 496 CB ILE A 49 6.289 18.576 6.582 1.00 14.32 C ATOM 497 CG1 ILE A 49 7.366 19.048 5.612 1.00 16.71 C ATOM 498 CG2 ILE A 49 6.153 17.082 6.694 1.00 14.12 C ATOM 499 CD1 ILE A 49 8.754 18.565 5.933 1.00 15.59 C ATOM 500 H ILE A 49 5.577 21.118 7.060 1.00 0.00 H ATOM 501 N THR A 50 2.998 17.941 7.022 1.00 12.83 N ATOM 502 CA THR A 50 2.064 17.396 7.966 1.00 13.42 C ATOM 503 C THR A 50 2.272 15.883 8.100 1.00 15.19 C ATOM 504 O THR A 50 2.364 15.198 7.148 1.00 15.34 O ATOM 505 CB THR A 50 0.596 17.675 7.580 1.00 14.21 C ATOM 506 OG1 THR A 50 0.366 19.071 7.496 1.00 15.48 O ATOM 507 CG2 THR A 50 -0.333 17.154 8.559 1.00 14.92 C ATOM 508 HG1 THR A 50 0.555 19.489 8.373 1.00 0.00 H ATOM 509 H THR A 50 2.966 17.606 6.038 1.00 0.00 H ATOM 510 N ILE A 51 2.330 15.461 9.343 1.00 14.12 N ATOM 511 CA ILE A 51 2.352 14.049 9.695 1.00 12.96 C ATOM 512 C ILE A 51 1.212 13.766 10.651 1.00 15.66 C ATOM 513 O ILE A 51 1.069 14.452 11.616 1.00 15.49 O ATOM 514 CB ILE A 51 3.679 13.661 10.363 1.00 12.28 C ATOM 515 CG1 ILE A 51 4.843 14.077 9.488 1.00 12.95 C ATOM 516 CG2 ILE A 51 3.733 12.181 10.623 1.00 12.26 C ATOM 517 CD1 ILE A 51 6.194 13.794 10.066 1.00 11.39 C ATOM 518 H ILE A 51 2.362 16.166 10.107 1.00 0.00 H ATOM 519 N LYS A 52 0.415 12.763 10.309 1.00 16.12 N ATOM 520 CA LYS A 52 -0.691 12.285 11.105 1.00 17.75 C ATOM 521 C LYS A 52 -0.561 10.831 11.411 1.00 18.43 C ATOM 522 O LYS A 52 -0.031 10.104 10.638 1.00 18.44 O ATOM 523 CB LYS A 52 -2.068 12.401 10.430 1.00 21.73 C ATOM 524 CG LYS A 52 -2.271 13.522 9.470 1.00 28.69 C ATOM 525 CD LYS A 52 -3.735 13.720 9.118 1.00 32.39 C ATOM 526 CE LYS A 52 -3.933 15.176 8.759 1.00 43.28 C ATOM 527 NZ LYS A 52 -5.236 15.555 8.134 1.00 50.71 N ATOM 528 HZ1 LYS A 52 -5.358 15.030 7.244 1.00 0.00 H ATOM 529 HZ2 LYS A 52 -6.012 15.321 8.785 1.00 0.00 H ATOM 530 HZ3 LYS A 52 -5.241 16.577 7.939 1.00 0.00 H ATOM 531 H LYS A 52 0.600 12.287 9.403 1.00 0.00 H ATOM 532 N SER A 53 -1.088 10.473 12.570 1.00 16.88 N ATOM 533 CA SER A 53 -1.177 9.089 12.931 1.00 17.29 C ATOM 534 C SER A 53 -2.642 8.695 12.943 1.00 18.13 C ATOM 535 O SER A 53 -3.448 9.474 13.283 1.00 18.75 O ATOM 536 CB SER A 53 -0.547 8.843 14.282 1.00 19.34 C ATOM 537 OG SER A 53 -1.259 9.452 15.294 1.00 19.03 O ATOM 538 HG SER A 53 -2.181 9.093 15.309 1.00 0.00 H ATOM 539 H SER A 53 -1.440 11.201 13.224 1.00 0.00 H ATOM 540 N GLU A 54 -2.898 7.470 12.561 1.00 17.33 N ATOM 541 CA GLU A 54 -4.201 6.878 12.622 1.00 21.64 C ATOM 542 C GLU A 54 -3.957 5.599 13.413 1.00 17.89 C ATOM 543 O GLU A 54 -3.312 4.713 12.941 1.00 17.78 O ATOM 544 CB GLU A 54 -4.753 6.609 11.222 1.00 25.35 C ATOM 545 CG GLU A 54 -6.167 6.084 11.194 1.00 37.10 C ATOM 546 CD GLU A 54 -6.543 5.394 9.894 1.00 52.63 C ATOM 547 OE1 GLU A 54 -7.258 4.398 9.942 1.00 59.88 O ATOM 548 OE2 GLU A 54 -6.123 5.846 8.821 1.00 60.35 O ATOM 549 H GLU A 54 -2.113 6.895 12.193 1.00 0.00 H ATOM 550 N SER A 55 -4.442 5.555 14.629 1.00 16.02 N ATOM 551 CA SER A 55 -4.027 4.518 15.512 1.00 18.63 C ATOM 552 C SER A 55 -5.103 4.172 16.509 1.00 18.77 C ATOM 553 O SER A 55 -5.812 5.016 16.913 1.00 20.68 O ATOM 554 CB SER A 55 -2.765 4.990 16.239 1.00 19.28 C ATOM 555 OG SER A 55 -2.508 4.332 17.413 1.00 18.08 O ATOM 556 HG SER A 55 -1.680 4.694 17.818 1.00 0.00 H ATOM 557 H SER A 55 -5.125 6.272 14.947 1.00 0.00 H ATOM 558 N THR A 56 -5.182 2.923 16.912 1.00 17.22 N ATOM 559 CA THR A 56 -6.077 2.563 17.996 1.00 20.27 C ATOM 560 C THR A 56 -5.642 3.110 19.335 1.00 20.53 C ATOM 561 O THR A 56 -6.370 3.088 20.270 1.00 22.68 O ATOM 562 CB THR A 56 -6.167 1.053 18.161 1.00 21.99 C ATOM 563 OG1 THR A 56 -4.849 0.538 18.176 1.00 26.00 O ATOM 564 CG2 THR A 56 -6.931 0.468 17.047 1.00 22.22 C ATOM 565 HG1 THR A 56 -4.882 -0.446 18.283 1.00 0.00 H ATOM 566 H THR A 56 -4.602 2.192 16.453 1.00 0.00 H ATOM 567 N PHE A 57 -4.424 3.578 19.409 1.00 18.61 N ATOM 568 CA PHE A 57 -3.959 4.196 20.613 1.00 17.86 C ATOM 569 C PHE A 57 -4.244 5.676 20.628 1.00 19.92 C ATOM 570 O PHE A 57 -4.777 6.169 21.549 1.00 23.68 O ATOM 571 CB PHE A 57 -2.483 3.971 20.808 1.00 16.28 C ATOM 572 CG PHE A 57 -1.899 4.755 21.910 1.00 16.97 C ATOM 573 CD1 PHE A 57 -2.367 4.631 23.170 1.00 19.71 C ATOM 574 CD2 PHE A 57 -0.862 5.562 21.691 1.00 18.95 C ATOM 575 CE1 PHE A 57 -1.798 5.317 24.198 1.00 21.45 C ATOM 576 CE2 PHE A 57 -0.278 6.258 22.698 1.00 20.67 C ATOM 577 CZ PHE A 57 -0.747 6.141 23.963 1.00 19.23 C ATOM 578 H PHE A 57 -3.789 3.501 18.589 1.00 0.00 H ATOM 579 N LYS A 58 -3.903 6.364 19.575 1.00 17.11 N ATOM 580 CA LYS A 58 -4.049 7.810 19.562 1.00 19.87 C ATOM 581 C LYS A 58 -3.888 8.374 18.171 1.00 20.00 C ATOM 582 O LYS A 58 -2.923 8.133 17.506 1.00 18.41 O ATOM 583 CB LYS A 58 -3.030 8.458 20.482 1.00 24.75 C ATOM 584 CG LYS A 58 -3.286 9.903 20.815 1.00 32.30 C ATOM 585 CD LYS A 58 -4.205 10.031 22.028 1.00 39.51 C ATOM 586 CE LYS A 58 -4.135 8.831 22.988 1.00 40.08 C ATOM 587 NZ LYS A 58 -4.308 9.193 24.419 1.00 41.56 N ATOM 588 HZ1 LYS A 58 -3.559 9.857 24.700 1.00 0.00 H ATOM 589 HZ2 LYS A 58 -5.237 9.640 24.552 1.00 0.00 H ATOM 590 HZ3 LYS A 58 -4.249 8.334 25.002 1.00 0.00 H ATOM 591 H LYS A 58 -3.524 5.875 18.739 1.00 0.00 H ATOM 592 N ASN A 59 -4.899 9.113 17.767 1.00 19.46 N ATOM 593 CA ASN A 59 -4.898 9.861 16.552 1.00 18.46 C ATOM 594 C ASN A 59 -4.397 11.269 16.838 1.00 20.70 C ATOM 595 O ASN A 59 -5.009 11.973 17.557 1.00 21.97 O ATOM 596 CB ASN A 59 -6.289 9.947 16.027 1.00 22.06 C ATOM 597 CG ASN A 59 -6.876 8.597 15.720 1.00 23.27 C ATOM 598 OD1 ASN A 59 -6.237 7.764 15.207 1.00 23.45 O ATOM 599 ND2 ASN A 59 -8.116 8.424 16.049 1.00 26.54 N ATOM 600 HD22 ASN A 59 -8.646 9.195 16.504 1.00 0.00 H ATOM 601 HD21 ASN A 59 -8.583 7.514 15.858 1.00 0.00 H ATOM 602 H ASN A 59 -5.747 9.154 18.368 1.00 0.00 H ATOM 603 N THR A 60 -3.267 11.625 16.266 1.00 20.00 N ATOM 604 CA THR A 60 -2.657 12.938 16.396 1.00 19.80 C ATOM 605 C THR A 60 -2.184 13.514 15.031 1.00 18.00 C ATOM 606 O THR A 60 -2.116 12.831 14.067 1.00 18.09 O ATOM 607 CB THR A 60 -1.444 12.947 17.366 1.00 20.17 C ATOM 608 OG1 THR A 60 -0.391 12.212 16.806 1.00 20.25 O ATOM 609 CG2 THR A 60 -1.734 12.300 18.633 1.00 23.38 C ATOM 610 HG1 THR A 60 -0.685 11.279 16.654 1.00 0.00 H ATOM 611 H THR A 60 -2.777 10.919 15.681 1.00 0.00 H ATOM 612 N GLU A 61 -1.816 14.784 15.022 1.00 16.38 N ATOM 613 CA GLU A 61 -1.250 15.351 13.841 1.00 16.74 C ATOM 614 C GLU A 61 -0.302 16.489 14.220 1.00 14.40 C ATOM 615 O GLU A 61 -0.518 17.140 15.184 1.00 13.86 O ATOM 616 CB GLU A 61 -2.387 15.767 12.957 1.00 20.61 C ATOM 617 CG GLU A 61 -2.222 16.907 12.042 1.00 27.68 C ATOM 618 CD GLU A 61 -3.528 17.345 11.389 1.00 33.01 C ATOM 619 OE1 GLU A 61 -3.642 18.496 11.128 1.00 35.54 O ATOM 620 OE2 GLU A 61 -4.438 16.550 11.159 1.00 36.47 O ATOM 621 H GLU A 61 -1.939 15.368 15.874 1.00 0.00 H ATOM 622 N ILE A 62 0.763 16.610 13.455 1.00 13.93 N ATOM 623 CA ILE A 62 1.670 17.707 13.516 1.00 12.37 C ATOM 624 C ILE A 62 1.849 18.317 12.145 1.00 13.29 C ATOM 625 O ILE A 62 1.922 17.641 11.172 1.00 13.52 O ATOM 626 CB ILE A 62 3.048 17.390 14.144 1.00 12.01 C ATOM 627 CG1 ILE A 62 3.772 16.310 13.406 1.00 12.14 C ATOM 628 CG2 ILE A 62 2.903 17.048 15.603 1.00 10.62 C ATOM 629 CD1 ILE A 62 5.146 16.055 13.927 1.00 13.33 C ATOM 630 H ILE A 62 0.954 15.858 12.763 1.00 0.00 H ATOM 631 N SER A 63 1.878 19.629 12.143 1.00 11.72 N ATOM 632 CA SER A 63 2.253 20.372 10.977 1.00 13.22 C ATOM 633 C SER A 63 3.421 21.315 11.298 1.00 15.40 C ATOM 634 O SER A 63 3.444 21.891 12.318 1.00 16.07 O ATOM 635 CB SER A 63 1.062 21.166 10.445 1.00 15.69 C ATOM 636 OG SER A 63 0.087 20.362 9.935 1.00 16.26 O ATOM 637 HG SER A 63 0.458 19.829 9.188 1.00 0.00 H ATOM 638 H SER A 63 1.622 20.143 13.010 1.00 0.00 H ATOM 639 N PHE A 64 4.385 21.411 10.419 1.00 13.66 N ATOM 640 CA PHE A 64 5.600 22.127 10.747 1.00 14.29 C ATOM 641 C PHE A 64 6.408 22.569 9.549 1.00 14.30 C ATOM 642 O PHE A 64 6.266 22.059 8.515 1.00 13.67 O ATOM 643 CB PHE A 64 6.468 21.259 11.622 1.00 13.56 C ATOM 644 CG PHE A 64 6.875 19.981 10.982 1.00 12.63 C ATOM 645 CD1 PHE A 64 6.108 18.874 11.099 1.00 12.56 C ATOM 646 CD2 PHE A 64 8.042 19.888 10.306 1.00 13.17 C ATOM 647 CE1 PHE A 64 6.456 17.713 10.510 1.00 12.19 C ATOM 648 CE2 PHE A 64 8.435 18.724 9.743 1.00 12.84 C ATOM 649 CZ PHE A 64 7.621 17.632 9.825 1.00 12.63 C ATOM 650 H PHE A 64 4.278 20.972 9.482 1.00 0.00 H ATOM 651 N ILE A 65 7.271 23.541 9.786 1.00 15.52 N ATOM 652 CA ILE A 65 8.226 23.998 8.808 1.00 13.88 C ATOM 653 C ILE A 65 9.618 23.574 9.277 1.00 15.08 C ATOM 654 O ILE A 65 9.904 23.674 10.410 1.00 14.47 O ATOM 655 CB ILE A 65 8.148 25.523 8.586 1.00 14.69 C ATOM 656 CG1 ILE A 65 6.810 25.878 8.019 1.00 14.94 C ATOM 657 CG2 ILE A 65 9.215 25.960 7.638 1.00 14.40 C ATOM 658 CD1 ILE A 65 6.640 27.336 7.729 1.00 14.89 C ATOM 659 H ILE A 65 7.261 23.997 10.721 1.00 0.00 H ATOM 660 N LEU A 66 10.409 23.045 8.375 1.00 13.65 N ATOM 661 CA LEU A 66 11.697 22.505 8.740 1.00 14.96 C ATOM 662 C LEU A 66 12.493 23.595 9.414 1.00 16.86 C ATOM 663 O LEU A 66 12.557 24.653 8.916 1.00 15.52 O ATOM 664 CB LEU A 66 12.459 22.011 7.546 1.00 16.25 C ATOM 665 CG LEU A 66 11.932 20.795 6.835 1.00 16.31 C ATOM 666 CD1 LEU A 66 12.660 20.567 5.554 1.00 19.87 C ATOM 667 CD2 LEU A 66 11.976 19.571 7.700 1.00 17.05 C ATOM 668 H LEU A 66 10.104 23.014 7.381 1.00 0.00 H ATOM 669 N GLY A 67 13.080 23.254 10.537 1.00 15.45 N ATOM 670 CA GLY A 67 13.930 24.130 11.265 1.00 15.10 C ATOM 671 C GLY A 67 13.242 25.083 12.210 1.00 14.83 C ATOM 672 O GLY A 67 13.879 25.801 12.892 1.00 15.25 O ATOM 673 H GLY A 67 12.916 22.298 10.912 1.00 0.00 H ATOM 674 N GLN A 68 11.925 25.068 12.226 1.00 13.97 N ATOM 675 CA GLN A 68 11.178 25.998 13.030 1.00 14.97 C ATOM 676 C GLN A 68 10.489 25.301 14.206 1.00 16.13 C ATOM 677 O GLN A 68 9.695 24.456 14.010 1.00 15.79 O ATOM 678 CB GLN A 68 10.168 26.766 12.184 1.00 16.36 C ATOM 679 CG GLN A 68 10.838 27.464 11.025 1.00 21.23 C ATOM 680 CD GLN A 68 9.986 28.477 10.285 1.00 22.41 C ATOM 681 OE1 GLN A 68 8.856 28.712 10.602 1.00 23.46 O ATOM 682 NE2 GLN A 68 10.577 29.082 9.281 1.00 24.48 N ATOM 683 HE22 GLN A 68 11.561 28.848 9.039 1.00 0.00 H ATOM 684 HE21 GLN A 68 10.061 29.796 8.727 1.00 0.00 H ATOM 685 H GLN A 68 11.416 24.371 11.646 1.00 0.00 H ATOM 686 N GLU A 69 10.833 25.698 15.407 1.00 15.85 N ATOM 687 CA GLU A 69 10.350 25.025 16.590 1.00 16.10 C ATOM 688 C GLU A 69 8.858 25.193 16.724 1.00 16.04 C ATOM 689 O GLU A 69 8.340 26.224 16.413 1.00 13.95 O ATOM 690 CB GLU A 69 11.085 25.525 17.830 1.00 20.46 C ATOM 691 CG GLU A 69 10.864 24.813 19.147 1.00 24.43 C ATOM 692 CD GLU A 69 11.758 25.348 20.250 1.00 29.70 C ATOM 693 OE1 GLU A 69 11.640 26.502 20.564 1.00 35.49 O ATOM 694 OE2 GLU A 69 12.623 24.625 20.702 1.00 36.54 O ATOM 695 H GLU A 69 11.468 26.515 15.510 1.00 0.00 H ATOM 696 N PHE A 70 8.233 24.119 17.155 1.00 12.11 N ATOM 697 CA PHE A 70 6.826 24.084 17.482 1.00 14.02 C ATOM 698 C PHE A 70 6.473 23.351 18.799 1.00 14.23 C ATOM 699 O PHE A 70 7.266 22.663 19.335 1.00 13.66 O ATOM 700 CB PHE A 70 6.035 23.471 16.344 1.00 13.36 C ATOM 701 CG PHE A 70 6.430 22.051 16.003 1.00 13.97 C ATOM 702 CD1 PHE A 70 7.517 21.815 15.232 1.00 12.56 C ATOM 703 CD2 PHE A 70 5.692 20.991 16.423 1.00 13.48 C ATOM 704 CE1 PHE A 70 7.886 20.569 14.906 1.00 13.18 C ATOM 705 CE2 PHE A 70 6.053 19.723 16.109 1.00 13.79 C ATOM 706 CZ PHE A 70 7.149 19.516 15.323 1.00 13.55 C ATOM 707 H PHE A 70 8.784 23.244 17.267 1.00 0.00 H ATOM 708 N ASP A 71 5.263 23.564 19.286 1.00 14.85 N ATOM 709 CA ASP A 71 4.801 22.875 20.474 1.00 17.38 C ATOM 710 C ASP A 71 4.142 21.596 20.055 1.00 17.08 C ATOM 711 O ASP A 71 3.417 21.588 19.149 1.00 19.24 O ATOM 712 CB ASP A 71 3.760 23.670 21.269 1.00 18.33 C ATOM 713 CG ASP A 71 4.284 24.973 21.783 1.00 21.50 C ATOM 714 OD1 ASP A 71 5.277 24.944 22.477 1.00 25.54 O ATOM 715 OD2 ASP A 71 3.668 25.997 21.527 1.00 21.88 O ATOM 716 H ASP A 71 4.631 24.238 18.808 1.00 0.00 H ATOM 717 N GLU A 72 4.381 20.545 20.793 1.00 16.60 N ATOM 718 CA GLU A 72 3.780 19.275 20.496 1.00 18.98 C ATOM 719 C GLU A 72 3.340 18.598 21.821 1.00 20.22 C ATOM 720 O GLU A 72 4.049 18.602 22.744 1.00 21.37 O ATOM 721 CB GLU A 72 4.771 18.376 19.761 1.00 18.13 C ATOM 722 CG GLU A 72 4.249 17.041 19.308 1.00 22.54 C ATOM 723 CD GLU A 72 5.295 16.137 18.752 1.00 20.04 C ATOM 724 OE1 GLU A 72 6.463 16.497 18.748 1.00 18.43 O ATOM 725 OE2 GLU A 72 4.927 15.084 18.320 1.00 21.25 O ATOM 726 H GLU A 72 5.018 20.630 21.611 1.00 0.00 H ATOM 727 N VAL A 73 2.146 18.050 21.827 1.00 20.17 N ATOM 728 CA VAL A 73 1.682 17.228 22.893 1.00 19.96 C ATOM 729 C VAL A 73 1.759 15.812 22.353 1.00 17.67 C ATOM 730 O VAL A 73 1.114 15.496 21.461 1.00 19.34 O ATOM 731 CB VAL A 73 0.232 17.525 23.321 1.00 24.44 C ATOM 732 CG1 VAL A 73 -0.143 16.603 24.449 1.00 24.52 C ATOM 733 CG2 VAL A 73 0.094 18.954 23.806 1.00 23.31 C ATOM 734 H VAL A 73 1.514 18.224 21.020 1.00 0.00 H ATOM 735 N THR A 74 2.626 15.022 22.920 1.00 16.78 N ATOM 736 CA THR A 74 2.857 13.698 22.461 1.00 17.78 C ATOM 737 C THR A 74 1.717 12.760 22.828 1.00 19.09 C ATOM 738 O THR A 74 0.926 13.062 23.608 1.00 19.59 O ATOM 739 CB THR A 74 4.170 13.122 22.999 1.00 15.24 C ATOM 740 OG1 THR A 74 4.070 12.983 24.402 1.00 17.29 O ATOM 741 CG2 THR A 74 5.299 14.037 22.687 1.00 16.29 C ATOM 742 HG1 THR A 74 4.916 12.611 24.757 1.00 0.00 H ATOM 743 H THR A 74 3.167 15.373 23.736 1.00 0.00 H ATOM 744 N ALA A 75 1.704 11.603 22.223 1.00 17.96 N ATOM 745 CA ALA A 75 0.681 10.596 22.453 1.00 22.82 C ATOM 746 C ALA A 75 0.543 10.189 23.931 1.00 22.61 C ATOM 747 O ALA A 75 -0.537 9.907 24.410 1.00 22.00 O ATOM 748 CB ALA A 75 0.998 9.390 21.626 1.00 22.16 C ATOM 749 H ALA A 75 2.462 11.392 21.543 1.00 0.00 H ATOM 750 N ASP A 76 1.672 10.158 24.613 1.00 20.78 N ATOM 751 CA ASP A 76 1.755 9.917 26.047 1.00 19.91 C ATOM 752 C ASP A 76 1.567 11.153 26.905 1.00 23.09 C ATOM 753 O ASP A 76 1.827 11.144 28.053 1.00 22.56 O ATOM 754 CB ASP A 76 3.073 9.201 26.424 1.00 18.60 C ATOM 755 CG ASP A 76 4.346 9.998 26.076 1.00 19.28 C ATOM 756 OD1 ASP A 76 4.543 10.413 24.950 1.00 18.55 O ATOM 757 OD2 ASP A 76 5.175 10.109 26.951 1.00 19.63 O ATOM 758 H ASP A 76 2.559 10.316 24.094 1.00 0.00 H ATOM 759 N ASP A 77 1.107 12.218 26.291 1.00 24.61 N ATOM 760 CA ASP A 77 0.747 13.430 26.980 1.00 24.41 C ATOM 761 C ASP A 77 1.918 14.217 27.612 1.00 25.09 C ATOM 762 O ASP A 77 1.727 14.947 28.528 1.00 26.92 O ATOM 763 CB ASP A 77 -0.471 13.187 27.900 1.00 29.37 C ATOM 764 CG ASP A 77 -1.721 12.719 27.109 1.00 30.80 C ATOM 765 OD1 ASP A 77 -1.744 12.834 25.858 1.00 33.95 O ATOM 766 OD2 ASP A 77 -2.686 12.151 27.693 1.00 35.08 O ATOM 767 H ASP A 77 0.997 12.185 25.257 1.00 0.00 H ATOM 768 N ARG A 78 3.113 14.085 27.060 1.00 21.10 N ATOM 769 CA ARG A 78 4.163 15.039 27.294 1.00 19.34 C ATOM 770 C ARG A 78 3.918 16.303 26.468 1.00 20.11 C ATOM 771 O ARG A 78 3.516 16.237 25.346 1.00 20.81 O ATOM 772 CB ARG A 78 5.532 14.499 26.914 1.00 18.91 C ATOM 773 CG ARG A 78 6.187 13.506 27.860 1.00 20.35 C ATOM 774 CD ARG A 78 7.411 12.857 27.235 1.00 19.15 C ATOM 775 NE ARG A 78 7.021 12.014 26.123 1.00 20.65 N ATOM 776 CZ ARG A 78 7.599 11.953 24.934 1.00 18.37 C ATOM 777 NH1 ARG A 78 8.635 12.678 24.636 1.00 15.26 N ATOM 778 NH2 ARG A 78 7.082 11.172 24.047 1.00 17.13 N ATOM 779 HE ARG A 78 6.201 11.392 26.275 1.00 0.00 H ATOM 780 HH12 ARG A 78 9.066 12.606 23.692 1.00 0.00 H ATOM 781 HH11 ARG A 78 9.034 13.330 25.341 1.00 0.00 H ATOM 782 HH22 ARG A 78 7.512 11.101 23.103 1.00 0.00 H ATOM 783 HH21 ARG A 78 6.235 10.613 24.276 1.00 0.00 H ATOM 784 H ARG A 78 3.298 13.270 26.441 1.00 0.00 H ATOM 785 N LYS A 79 4.152 17.452 27.071 1.00 19.58 N ATOM 786 CA LYS A 79 4.174 18.707 26.365 1.00 18.78 C ATOM 787 C LYS A 79 5.646 19.015 26.070 1.00 17.31 C ATOM 788 O LYS A 79 6.386 19.224 26.931 1.00 18.54 O ATOM 789 CB LYS A 79 3.517 19.809 27.189 1.00 20.45 C ATOM 790 CG LYS A 79 2.036 19.556 27.415 1.00 20.28 C ATOM 791 CD LYS A 79 1.822 18.489 28.475 1.00 24.40 C ATOM 792 CE LYS A 79 0.380 18.263 28.941 1.00 23.11 C ATOM 793 NZ LYS A 79 -0.583 17.904 27.855 1.00 24.27 N ATOM 794 HZ1 LYS A 79 -0.612 18.670 27.152 1.00 0.00 H ATOM 795 HZ2 LYS A 79 -0.274 17.023 27.397 1.00 0.00 H ATOM 796 HZ3 LYS A 79 -1.530 17.771 28.263 1.00 0.00 H ATOM 797 H LYS A 79 4.327 17.452 28.096 1.00 0.00 H ATOM 798 N VAL A 80 6.023 19.004 24.805 1.00 16.19 N ATOM 799 CA VAL A 80 7.400 19.162 24.441 1.00 15.09 C ATOM 800 C VAL A 80 7.595 20.290 23.443 1.00 15.65 C ATOM 801 O VAL A 80 6.687 20.718 22.843 1.00 18.01 O ATOM 802 CB VAL A 80 7.981 17.884 23.818 1.00 14.85 C ATOM 803 CG1 VAL A 80 7.721 16.678 24.680 1.00 17.30 C ATOM 804 CG2 VAL A 80 7.375 17.686 22.461 1.00 15.38 C ATOM 805 H VAL A 80 5.308 18.879 24.060 1.00 0.00 H ATOM 806 N LYS A 81 8.815 20.725 23.287 1.00 15.79 N ATOM 807 CA LYS A 81 9.157 21.614 22.201 1.00 18.34 C ATOM 808 C LYS A 81 9.914 20.821 21.168 1.00 16.94 C ATOM 809 O LYS A 81 10.893 20.203 21.496 1.00 16.07 O ATOM 810 CB LYS A 81 10.023 22.754 22.664 1.00 23.33 C ATOM 811 CG LYS A 81 9.351 23.608 23.698 1.00 28.20 C ATOM 812 CD LYS A 81 8.549 24.747 23.157 1.00 28.75 C ATOM 813 CE LYS A 81 7.837 25.420 24.299 1.00 31.25 C ATOM 814 NZ LYS A 81 7.501 26.810 23.933 1.00 35.83 N ATOM 815 HZ1 LYS A 81 8.375 27.331 23.718 1.00 0.00 H ATOM 816 HZ2 LYS A 81 6.883 26.807 23.097 1.00 0.00 H ATOM 817 HZ3 LYS A 81 7.010 27.267 24.727 1.00 0.00 H ATOM 818 H LYS A 81 9.554 20.427 23.956 1.00 0.00 H ATOM 819 N SER A 82 9.439 20.888 19.937 1.00 14.75 N ATOM 820 CA SER A 82 9.996 20.073 18.893 1.00 14.19 C ATOM 821 C SER A 82 10.572 20.870 17.735 1.00 14.20 C ATOM 822 O SER A 82 10.147 21.910 17.454 1.00 16.04 O ATOM 823 CB SER A 82 8.954 19.102 18.373 1.00 15.59 C ATOM 824 OG SER A 82 8.529 18.247 19.327 1.00 13.75 O ATOM 825 HG SER A 82 7.852 17.635 18.942 1.00 0.00 H ATOM 826 H SER A 82 8.655 21.536 19.722 1.00 0.00 H ATOM 827 N THR A 83 11.583 20.313 17.114 1.00 13.82 N ATOM 828 CA THR A 83 12.114 20.841 15.905 1.00 13.56 C ATOM 829 C THR A 83 12.430 19.689 14.973 1.00 13.94 C ATOM 830 O THR A 83 13.036 18.745 15.352 1.00 14.78 O ATOM 831 CB THR A 83 13.363 21.681 16.155 1.00 16.20 C ATOM 832 OG1 THR A 83 13.147 22.563 17.233 1.00 17.46 O ATOM 833 CG2 THR A 83 13.734 22.433 15.006 1.00 15.12 C ATOM 834 HG1 THR A 83 12.938 22.041 18.048 1.00 0.00 H ATOM 835 H THR A 83 12.011 19.456 17.519 1.00 0.00 H ATOM 836 N ILE A 84 11.989 19.844 13.740 1.00 13.95 N ATOM 837 CA ILE A 84 12.252 18.875 12.692 1.00 13.62 C ATOM 838 C ILE A 84 13.075 19.529 11.578 1.00 14.78 C ATOM 839 O ILE A 84 12.736 20.565 11.101 1.00 14.05 O ATOM 840 CB ILE A 84 10.957 18.213 12.173 1.00 13.03 C ATOM 841 CG1 ILE A 84 10.243 17.547 13.336 1.00 13.07 C ATOM 842 CG2 ILE A 84 11.237 17.168 11.140 1.00 11.57 C ATOM 843 CD1 ILE A 84 8.923 16.924 13.003 1.00 13.23 C ATOM 844 H ILE A 84 11.432 20.692 13.510 1.00 0.00 H ATOM 845 N THR A 85 14.182 18.885 11.252 1.00 13.18 N ATOM 846 CA THR A 85 15.052 19.257 10.195 1.00 14.87 C ATOM 847 C THR A 85 15.283 18.093 9.249 1.00 17.34 C ATOM 848 O THR A 85 15.005 16.998 9.550 1.00 17.86 O ATOM 849 CB THR A 85 16.440 19.720 10.752 1.00 14.88 C ATOM 850 OG1 THR A 85 16.946 18.734 11.621 1.00 16.01 O ATOM 851 CG2 THR A 85 16.311 21.005 11.519 1.00 14.96 C ATOM 852 HG1 THR A 85 16.314 18.602 12.372 1.00 0.00 H ATOM 853 H THR A 85 14.434 18.045 11.811 1.00 0.00 H ATOM 854 N LEU A 86 15.817 18.400 8.093 1.00 18.61 N ATOM 855 CA LEU A 86 16.165 17.411 7.120 1.00 21.92 C ATOM 856 C LEU A 86 17.670 17.406 7.033 1.00 26.00 C ATOM 857 O LEU A 86 18.233 18.373 6.617 1.00 27.89 O ATOM 858 CB LEU A 86 15.598 17.844 5.790 1.00 24.12 C ATOM 859 CG LEU A 86 14.691 16.966 4.992 1.00 26.12 C ATOM 860 CD1 LEU A 86 14.484 17.423 3.571 1.00 25.41 C ATOM 861 CD2 LEU A 86 14.913 15.478 5.092 1.00 23.46 C ATOM 862 H LEU A 86 15.995 19.401 7.874 1.00 0.00 H ATOM 863 N ASP A 87 18.290 16.336 7.478 1.00 23.74 N ATOM 864 CA ASP A 87 19.701 16.159 7.521 1.00 30.42 C ATOM 865 C ASP A 87 20.026 15.121 6.448 1.00 29.86 C ATOM 866 O ASP A 87 19.900 13.931 6.632 1.00 24.45 O ATOM 867 CB ASP A 87 20.088 15.682 8.913 1.00 37.04 C ATOM 868 CG ASP A 87 21.564 15.384 9.076 1.00 51.11 C ATOM 869 OD1 ASP A 87 22.379 16.087 8.461 1.00 55.65 O ATOM 870 OD2 ASP A 87 21.906 14.443 9.833 1.00 55.67 O ATOM 871 H ASP A 87 17.700 15.554 7.828 1.00 0.00 H ATOM 872 N GLY A 88 20.344 15.628 5.274 1.00 27.71 N ATOM 873 CA GLY A 88 20.596 14.770 4.151 1.00 28.26 C ATOM 874 C GLY A 88 19.644 13.613 3.987 1.00 30.97 C ATOM 875 O GLY A 88 20.011 12.465 4.083 1.00 35.19 O ATOM 876 H GLY A 88 20.413 16.659 5.160 1.00 0.00 H ATOM 877 N GLY A 89 18.429 13.869 3.650 1.00 25.31 N ATOM 878 CA GLY A 89 17.597 12.713 3.451 1.00 23.35 C ATOM 879 C GLY A 89 16.889 12.103 4.655 1.00 23.00 C ATOM 880 O GLY A 89 15.949 11.372 4.529 1.00 20.03 O ATOM 881 H GLY A 89 18.075 14.840 3.530 1.00 0.00 H ATOM 882 N VAL A 90 17.384 12.418 5.837 1.00 20.48 N ATOM 883 CA VAL A 90 16.792 11.921 7.051 1.00 17.67 C ATOM 884 C VAL A 90 16.028 13.029 7.728 1.00 17.80 C ATOM 885 O VAL A 90 16.547 14.080 7.891 1.00 18.25 O ATOM 886 CB VAL A 90 17.847 11.405 8.010 1.00 21.48 C ATOM 887 CG1 VAL A 90 17.192 10.783 9.218 1.00 19.89 C ATOM 888 CG2 VAL A 90 18.817 10.433 7.337 1.00 18.93 C ATOM 889 H VAL A 90 18.218 13.037 5.892 1.00 0.00 H ATOM 890 N LEU A 91 14.806 12.757 8.123 1.00 14.77 N ATOM 891 CA LEU A 91 14.054 13.700 8.879 1.00 16.02 C ATOM 892 C LEU A 91 14.369 13.469 10.339 1.00 14.38 C ATOM 893 O LEU A 91 14.193 12.405 10.816 1.00 14.23 O ATOM 894 CB LEU A 91 12.579 13.470 8.728 1.00 16.06 C ATOM 895 CG LEU A 91 11.786 14.146 7.674 1.00 22.09 C ATOM 896 CD1 LEU A 91 10.366 13.631 7.647 1.00 19.07 C ATOM 897 CD2 LEU A 91 11.826 15.637 7.820 1.00 18.17 C ATOM 898 H LEU A 91 14.381 11.839 7.880 1.00 0.00 H ATOM 899 N VAL A 92 14.841 14.509 10.985 1.00 14.47 N ATOM 900 CA VAL A 92 15.307 14.432 12.342 1.00 14.01 C ATOM 901 C VAL A 92 14.371 15.245 13.234 1.00 14.08 C ATOM 902 O VAL A 92 14.258 16.375 13.030 1.00 14.21 O ATOM 903 CB VAL A 92 16.745 14.994 12.453 1.00 15.21 C ATOM 904 CG1 VAL A 92 17.183 15.021 13.876 1.00 18.19 C ATOM 905 CG2 VAL A 92 17.696 14.169 11.623 1.00 15.56 C ATOM 906 H VAL A 92 14.879 15.426 10.495 1.00 0.00 H ATOM 907 N HIS A 93 13.735 14.589 14.187 1.00 12.03 N ATOM 908 CA HIS A 93 12.718 15.160 15.026 1.00 12.76 C ATOM 909 C HIS A 93 13.199 15.133 16.440 1.00 13.66 C ATOM 910 O HIS A 93 13.355 14.091 16.990 1.00 13.72 O ATOM 911 CB HIS A 93 11.464 14.322 14.858 1.00 12.45 C ATOM 912 CG HIS A 93 10.270 14.776 15.625 1.00 14.40 C ATOM 913 ND1 HIS A 93 9.111 14.164 15.545 1.00 13.58 N ATOM 914 CD2 HIS A 93 10.080 15.825 16.471 1.00 14.67 C ATOM 915 CE1 HIS A 93 8.253 14.770 16.310 1.00 14.24 C ATOM 916 NE2 HIS A 93 8.844 15.769 16.887 1.00 14.21 N ATOM 917 H HIS A 93 13.987 13.592 14.341 1.00 0.00 H ATOM 918 N VAL A 94 13.494 16.284 16.997 1.00 11.23 N ATOM 919 CA VAL A 94 13.980 16.384 18.365 1.00 13.87 C ATOM 920 C VAL A 94 12.917 16.980 19.261 1.00 13.73 C ATOM 921 O VAL A 94 12.440 17.995 18.969 1.00 14.40 O ATOM 922 CB VAL A 94 15.243 17.248 18.443 1.00 14.80 C ATOM 923 CG1 VAL A 94 15.791 17.264 19.832 1.00 17.42 C ATOM 924 CG2 VAL A 94 16.257 16.687 17.493 1.00 16.63 C ATOM 925 H VAL A 94 13.376 17.155 16.441 1.00 0.00 H ATOM 926 N GLN A 95 12.597 16.275 20.337 1.00 14.52 N ATOM 927 CA GLN A 95 11.642 16.696 21.339 1.00 13.77 C ATOM 928 C GLN A 95 12.336 16.985 22.684 1.00 16.16 C ATOM 929 O GLN A 95 13.134 16.213 23.118 1.00 14.27 O ATOM 930 CB GLN A 95 10.645 15.606 21.614 1.00 14.40 C ATOM 931 CG GLN A 95 9.770 15.202 20.469 1.00 14.89 C ATOM 932 CD GLN A 95 8.873 14.046 20.817 1.00 15.37 C ATOM 933 OE1 GLN A 95 9.182 13.257 21.643 1.00 16.70 O ATOM 934 NE2 GLN A 95 7.799 13.963 20.153 1.00 13.68 N ATOM 935 HE22 GLN A 95 7.573 14.683 19.437 1.00 0.00 H ATOM 936 HE21 GLN A 95 7.142 13.175 20.323 1.00 0.00 H ATOM 937 H GLN A 95 13.065 15.356 20.470 1.00 0.00 H ATOM 938 N LYS A 96 12.009 18.135 23.268 1.00 14.70 N ATOM 939 CA LYS A 96 12.604 18.562 24.506 1.00 18.14 C ATOM 940 C LYS A 96 11.553 18.876 25.509 1.00 17.57 C ATOM 941 O LYS A 96 10.652 19.544 25.206 1.00 19.16 O ATOM 942 CB LYS A 96 13.424 19.832 24.329 1.00 19.93 C ATOM 943 CG LYS A 96 14.421 19.792 23.233 1.00 27.37 C ATOM 944 CD LYS A 96 15.816 19.483 23.746 1.00 36.58 C ATOM 945 CE LYS A 96 16.788 19.206 22.608 1.00 36.10 C ATOM 946 NZ LYS A 96 18.059 18.561 23.005 1.00 40.26 N ATOM 947 HZ1 LYS A 96 18.561 19.173 23.680 1.00 0.00 H ATOM 948 HZ2 LYS A 96 17.856 17.644 23.451 1.00 0.00 H ATOM 949 HZ3 LYS A 96 18.650 18.415 22.162 1.00 0.00 H ATOM 950 H LYS A 96 11.300 18.745 22.814 1.00 0.00 H ATOM 951 N TRP A 97 11.764 18.391 26.714 1.00 18.16 N ATOM 952 CA TRP A 97 10.919 18.604 27.847 1.00 19.74 C ATOM 953 C TRP A 97 11.658 18.287 29.136 1.00 22.45 C ATOM 954 O TRP A 97 12.489 17.406 29.211 1.00 18.95 O ATOM 955 CB TRP A 97 9.641 17.810 27.768 1.00 17.99 C ATOM 956 CG TRP A 97 9.795 16.391 28.162 1.00 17.56 C ATOM 957 CD1 TRP A 97 9.354 15.788 29.307 1.00 19.77 C ATOM 958 CD2 TRP A 97 10.507 15.350 27.447 1.00 19.39 C ATOM 959 NE1 TRP A 97 9.715 14.493 29.330 1.00 19.34 N ATOM 960 CE2 TRP A 97 10.400 14.165 28.253 1.00 17.92 C ATOM 961 CE3 TRP A 97 11.154 15.271 26.247 1.00 15.85 C ATOM 962 CZ2 TRP A 97 10.946 12.975 27.859 1.00 17.28 C ATOM 963 CZ3 TRP A 97 11.706 14.074 25.876 1.00 17.14 C ATOM 964 CH2 TRP A 97 11.608 12.955 26.660 1.00 16.54 C ATOM 965 HE1 TRP A 97 9.483 13.834 30.100 1.00 0.00 H ATOM 966 H TRP A 97 12.613 17.806 26.853 1.00 0.00 H ATOM 967 N ASP A 98 11.322 19.081 30.137 1.00 27.31 N ATOM 968 CA ASP A 98 11.800 18.932 31.483 1.00 25.46 C ATOM 969 C ASP A 98 13.281 18.614 31.514 1.00 27.02 C ATOM 970 O ASP A 98 13.702 17.792 32.238 1.00 29.22 O ATOM 971 CB ASP A 98 11.012 17.854 32.202 1.00 29.13 C ATOM 972 CG ASP A 98 9.579 18.197 32.348 1.00 28.76 C ATOM 973 OD1 ASP A 98 9.211 19.348 32.202 1.00 30.55 O ATOM 974 OD2 ASP A 98 8.793 17.323 32.613 1.00 30.51 O ATOM 975 H ASP A 98 10.669 19.865 29.937 1.00 0.00 H ATOM 976 N GLY A 99 14.047 19.279 30.688 1.00 25.30 N ATOM 977 CA GLY A 99 15.456 19.042 30.580 1.00 25.77 C ATOM 978 C GLY A 99 15.908 17.729 29.982 1.00 29.48 C ATOM 979 O GLY A 99 17.053 17.389 30.076 1.00 32.20 O ATOM 980 H GLY A 99 13.616 20.009 30.086 1.00 0.00 H ATOM 981 N LYS A 100 14.983 17.020 29.370 1.00 27.04 N ATOM 982 CA LYS A 100 15.258 15.798 28.650 1.00 23.34 C ATOM 983 C LYS A 100 15.099 16.053 27.162 1.00 20.98 C ATOM 984 O LYS A 100 14.593 17.043 26.759 1.00 21.02 O ATOM 985 CB LYS A 100 14.319 14.731 29.127 1.00 24.37 C ATOM 986 CG LYS A 100 14.368 14.593 30.619 1.00 29.89 C ATOM 987 CD LYS A 100 13.801 13.321 31.111 1.00 37.02 C ATOM 988 CE LYS A 100 13.021 13.617 32.344 1.00 41.00 C ATOM 989 NZ LYS A 100 12.256 12.446 32.812 1.00 48.63 N ATOM 990 HZ1 LYS A 100 11.590 12.150 32.070 1.00 0.00 H ATOM 991 HZ2 LYS A 100 12.912 11.667 33.022 1.00 0.00 H ATOM 992 HZ3 LYS A 100 11.729 12.699 33.672 1.00 0.00 H ATOM 993 H LYS A 100 14.000 17.358 29.407 1.00 0.00 H ATOM 994 N SER A 101 15.551 15.096 26.393 1.00 21.20 N ATOM 995 CA SER A 101 15.320 15.097 25.000 1.00 18.07 C ATOM 996 C SER A 101 15.379 13.691 24.431 1.00 17.68 C ATOM 997 O SER A 101 15.950 12.836 24.987 1.00 16.63 O ATOM 998 CB SER A 101 16.232 16.087 24.318 1.00 21.94 C ATOM 999 OG SER A 101 17.282 15.538 23.650 1.00 27.98 O ATOM 1000 HG SER A 101 16.942 14.932 22.944 1.00 0.00 H ATOM 1001 H SER A 101 16.093 14.316 26.817 1.00 0.00 H ATOM 1002 N THR A 102 14.698 13.543 23.318 1.00 16.12 N ATOM 1003 CA THR A 102 14.605 12.328 22.577 1.00 14.60 C ATOM 1004 C THR A 102 14.583 12.718 21.102 1.00 15.75 C ATOM 1005 O THR A 102 14.168 13.780 20.750 1.00 13.50 O ATOM 1006 CB THR A 102 13.348 11.499 22.923 1.00 14.09 C ATOM 1007 OG1 THR A 102 13.327 10.249 22.248 1.00 13.96 O ATOM 1008 CG2 THR A 102 12.105 12.240 22.707 1.00 13.73 C ATOM 1009 HG1 THR A 102 12.507 9.754 22.499 1.00 0.00 H ATOM 1010 H THR A 102 14.189 14.372 22.950 1.00 0.00 H ATOM 1011 N THR A 103 15.081 11.814 20.283 1.00 14.08 N ATOM 1012 CA THR A 103 15.222 12.068 18.875 1.00 15.68 C ATOM 1013 C THR A 103 14.587 10.920 18.086 1.00 15.98 C ATOM 1014 O THR A 103 14.828 9.800 18.381 1.00 15.58 O ATOM 1015 CB THR A 103 16.711 12.256 18.515 1.00 15.92 C ATOM 1016 OG1 THR A 103 17.210 13.382 19.223 1.00 16.85 O ATOM 1017 CG2 THR A 103 16.887 12.482 17.060 1.00 17.48 C ATOM 1018 HG1 THR A 103 17.115 13.227 20.196 1.00 0.00 H ATOM 1019 H THR A 103 15.380 10.894 20.665 1.00 0.00 H ATOM 1020 N ILE A 104 13.769 11.280 17.114 1.00 15.63 N ATOM 1021 CA ILE A 104 13.123 10.354 16.242 1.00 14.08 C ATOM 1022 C ILE A 104 13.597 10.663 14.845 1.00 13.26 C ATOM 1023 O ILE A 104 13.433 11.739 14.406 1.00 13.33 O ATOM 1024 CB ILE A 104 11.591 10.480 16.330 1.00 14.81 C ATOM 1025 CG1 ILE A 104 11.121 10.329 17.771 1.00 15.55 C ATOM 1026 CG2 ILE A 104 10.913 9.486 15.409 1.00 14.84 C ATOM 1027 CD1 ILE A 104 9.651 10.588 17.978 1.00 21.81 C ATOM 1028 H ILE A 104 13.586 12.294 16.977 1.00 0.00 H ATOM 1029 N LYS A 105 14.205 9.690 14.210 1.00 13.62 N ATOM 1030 CA LYS A 105 14.759 9.874 12.893 1.00 14.44 C ATOM 1031 C LYS A 105 13.921 9.023 11.922 1.00 14.02 C ATOM 1032 O LYS A 105 13.635 7.924 12.216 1.00 14.87 O ATOM 1033 CB LYS A 105 16.243 9.432 12.885 1.00 16.11 C ATOM 1034 CG LYS A 105 17.154 10.264 13.780 1.00 19.24 C ATOM 1035 CD LYS A 105 18.635 9.899 13.778 1.00 24.19 C ATOM 1036 CE LYS A 105 18.966 8.817 14.787 1.00 27.16 C ATOM 1037 NZ LYS A 105 20.394 8.411 15.001 1.00 32.58 N ATOM 1038 HZ1 LYS A 105 20.790 8.055 14.107 1.00 0.00 H ATOM 1039 HZ2 LYS A 105 20.943 9.234 15.321 1.00 0.00 H ATOM 1040 HZ3 LYS A 105 20.436 7.663 15.722 1.00 0.00 H ATOM 1041 H LYS A 105 14.289 8.761 14.669 1.00 0.00 H ATOM 1042 N ARG A 106 13.611 9.569 10.766 1.00 13.62 N ATOM 1043 CA ARG A 106 12.800 8.874 9.810 1.00 13.44 C ATOM 1044 C ARG A 106 13.484 8.918 8.437 1.00 14.33 C ATOM 1045 O ARG A 106 13.848 9.931 7.994 1.00 12.03 O ATOM 1046 CB ARG A 106 11.427 9.499 9.725 1.00 13.43 C ATOM 1047 CG ARG A 106 10.680 9.505 11.030 1.00 14.91 C ATOM 1048 CD ARG A 106 9.322 10.153 10.888 1.00 15.99 C ATOM 1049 NE ARG A 106 8.418 9.998 12.006 1.00 16.16 N ATOM 1050 CZ ARG A 106 8.314 10.831 13.016 1.00 17.55 C ATOM 1051 NH1 ARG A 106 9.094 11.872 13.088 1.00 14.34 N ATOM 1052 NH2 ARG A 106 7.447 10.604 13.971 1.00 18.02 N ATOM 1053 HE ARG A 106 7.801 9.161 12.011 1.00 0.00 H ATOM 1054 HH12 ARG A 106 9.010 12.530 13.889 1.00 0.00 H ATOM 1055 HH11 ARG A 106 9.801 12.045 12.345 1.00 0.00 H ATOM 1056 HH22 ARG A 106 7.367 11.266 14.769 1.00 0.00 H ATOM 1057 HH21 ARG A 106 6.838 9.762 13.931 1.00 0.00 H ATOM 1058 H ARG A 106 13.961 10.522 10.542 1.00 0.00 H ATOM 1059 N LYS A 107 13.651 7.768 7.839 1.00 14.52 N ATOM 1060 CA LYS A 107 14.310 7.728 6.572 1.00 17.65 C ATOM 1061 C LYS A 107 13.827 6.596 5.727 1.00 18.50 C ATOM 1062 O LYS A 107 13.388 5.621 6.235 1.00 19.06 O ATOM 1063 CB LYS A 107 15.764 7.602 6.791 1.00 20.22 C ATOM 1064 CG LYS A 107 16.199 6.245 7.189 1.00 19.33 C ATOM 1065 CD LYS A 107 17.721 6.177 7.093 1.00 22.52 C ATOM 1066 CE LYS A 107 18.208 6.725 5.771 1.00 21.70 C ATOM 1067 NZ LYS A 107 19.676 6.900 5.481 1.00 21.85 N ATOM 1068 HZ1 LYS A 107 20.090 7.555 6.175 1.00 0.00 H ATOM 1069 HZ2 LYS A 107 20.153 5.978 5.545 1.00 0.00 H ATOM 1070 HZ3 LYS A 107 19.795 7.288 4.523 1.00 0.00 H ATOM 1071 H LYS A 107 13.308 6.891 8.281 1.00 0.00 H ATOM 1072 N ARG A 108 13.943 6.780 4.426 1.00 17.95 N ATOM 1073 CA ARG A 108 13.520 5.800 3.459 1.00 17.40 C ATOM 1074 C ARG A 108 14.590 4.779 3.220 1.00 17.90 C ATOM 1075 O ARG A 108 15.680 5.117 2.914 1.00 18.84 O ATOM 1076 CB ARG A 108 13.214 6.487 2.142 1.00 18.54 C ATOM 1077 CG ARG A 108 11.826 7.009 2.011 1.00 23.43 C ATOM 1078 CD ARG A 108 10.846 5.883 2.189 1.00 19.96 C ATOM 1079 NE ARG A 108 10.856 4.893 1.147 1.00 22.64 N ATOM 1080 CZ ARG A 108 10.377 5.072 -0.069 1.00 22.98 C ATOM 1081 NH1 ARG A 108 9.892 6.223 -0.443 1.00 18.03 N ATOM 1082 NH2 ARG A 108 10.386 4.092 -0.902 1.00 21.75 N ATOM 1083 HE ARG A 108 11.272 3.966 1.368 1.00 0.00 H ATOM 1084 HH12 ARG A 108 9.519 6.342 -1.407 1.00 0.00 H ATOM 1085 HH11 ARG A 108 9.878 7.022 0.222 1.00 0.00 H ATOM 1086 HH22 ARG A 108 10.011 4.223 -1.863 1.00 0.00 H ATOM 1087 HH21 ARG A 108 10.769 3.169 -0.615 1.00 0.00 H ATOM 1088 H ARG A 108 14.357 7.670 4.084 1.00 0.00 H ATOM 1089 N GLU A 109 14.263 3.517 3.337 1.00 17.69 N ATOM 1090 CA GLU A 109 15.187 2.510 2.893 1.00 20.33 C ATOM 1091 C GLU A 109 14.456 1.430 2.107 1.00 18.12 C ATOM 1092 O GLU A 109 13.544 0.887 2.577 1.00 15.51 O ATOM 1093 CB GLU A 109 16.024 1.950 4.032 1.00 24.91 C ATOM 1094 CG GLU A 109 17.143 1.025 3.595 1.00 33.70 C ATOM 1095 CD GLU A 109 18.542 1.647 3.697 1.00 41.56 C ATOM 1096 OE1 GLU A 109 18.656 2.814 4.065 1.00 47.94 O ATOM 1097 OE2 GLU A 109 19.545 0.969 3.393 1.00 45.95 O ATOM 1098 H GLU A 109 13.346 3.246 3.746 1.00 0.00 H ATOM 1099 N ASP A 110 14.862 1.238 0.857 1.00 17.19 N ATOM 1100 CA ASP A 110 14.146 0.385 -0.027 1.00 16.99 C ATOM 1101 C ASP A 110 12.689 0.868 -0.024 1.00 16.10 C ATOM 1102 O ASP A 110 12.459 2.035 -0.088 1.00 16.42 O ATOM 1103 CB ASP A 110 14.296 -1.084 0.359 1.00 20.71 C ATOM 1104 CG ASP A 110 15.731 -1.568 0.300 1.00 26.36 C ATOM 1105 OD1 ASP A 110 16.456 -1.122 -0.552 1.00 24.12 O ATOM 1106 OD2 ASP A 110 16.110 -2.382 1.118 1.00 27.28 O ATOM 1107 H ASP A 110 15.719 1.720 0.519 1.00 0.00 H ATOM 1108 N ASP A 111 11.740 -0.022 0.050 1.00 15.90 N ATOM 1109 CA ASP A 111 10.342 0.405 0.060 1.00 17.38 C ATOM 1110 C ASP A 111 9.766 0.675 1.458 1.00 18.07 C ATOM 1111 O ASP A 111 8.589 0.720 1.648 1.00 18.55 O ATOM 1112 CB ASP A 111 9.432 -0.566 -0.699 1.00 17.75 C ATOM 1113 CG ASP A 111 9.642 -0.529 -2.206 1.00 18.71 C ATOM 1114 OD1 ASP A 111 9.644 0.522 -2.800 1.00 21.66 O ATOM 1115 OD2 ASP A 111 9.733 -1.575 -2.766 1.00 20.71 O ATOM 1116 H ASP A 111 11.977 -1.033 0.102 1.00 0.00 H ATOM 1117 N LYS A 112 10.652 0.822 2.406 1.00 18.19 N ATOM 1118 CA LYS A 112 10.274 1.052 3.790 1.00 16.61 C ATOM 1119 C LYS A 112 10.607 2.446 4.234 1.00 15.94 C ATOM 1120 O LYS A 112 11.463 3.048 3.725 1.00 16.89 O ATOM 1121 CB LYS A 112 10.960 0.050 4.680 1.00 16.17 C ATOM 1122 CG LYS A 112 10.238 -1.256 4.720 1.00 17.02 C ATOM 1123 CD LYS A 112 11.007 -2.342 4.072 1.00 18.50 C ATOM 1124 CE LYS A 112 10.231 -3.668 4.125 1.00 20.52 C ATOM 1125 NZ LYS A 112 8.728 -3.634 4.095 1.00 20.58 N ATOM 1126 HZ1 LYS A 112 8.378 -3.093 4.912 1.00 0.00 H ATOM 1127 HZ2 LYS A 112 8.410 -3.180 3.215 1.00 0.00 H ATOM 1128 HZ3 LYS A 112 8.360 -4.606 4.138 1.00 0.00 H ATOM 1129 H LYS A 112 11.662 0.773 2.162 1.00 0.00 H ATOM 1130 N LEU A 113 9.864 2.901 5.214 1.00 16.58 N ATOM 1131 CA LEU A 113 10.182 4.095 5.959 1.00 17.27 C ATOM 1132 C LEU A 113 10.524 3.629 7.363 1.00 16.12 C ATOM 1133 O LEU A 113 9.755 3.024 8.028 1.00 14.82 O ATOM 1134 CB LEU A 113 9.009 5.069 5.937 1.00 17.14 C ATOM 1135 CG LEU A 113 9.212 6.509 6.322 1.00 20.43 C ATOM 1136 CD1 LEU A 113 7.997 7.296 5.927 1.00 18.79 C ATOM 1137 CD2 LEU A 113 9.356 6.526 7.817 1.00 21.54 C ATOM 1138 H LEU A 113 9.003 2.375 5.467 1.00 0.00 H ATOM 1139 N VAL A 114 11.771 3.848 7.705 1.00 13.79 N ATOM 1140 CA VAL A 114 12.322 3.362 8.929 1.00 14.56 C ATOM 1141 C VAL A 114 12.368 4.474 9.943 1.00 15.10 C ATOM 1142 O VAL A 114 12.858 5.503 9.653 1.00 16.92 O ATOM 1143 CB VAL A 114 13.734 2.831 8.719 1.00 14.28 C ATOM 1144 CG1 VAL A 114 14.314 2.338 10.001 1.00 16.49 C ATOM 1145 CG2 VAL A 114 13.717 1.714 7.694 1.00 16.18 C ATOM 1146 H VAL A 114 12.379 4.394 7.062 1.00 0.00 H ATOM 1147 N VAL A 115 11.819 4.226 11.115 1.00 14.46 N ATOM 1148 CA VAL A 115 11.758 5.229 12.165 1.00 14.11 C ATOM 1149 C VAL A 115 12.586 4.777 13.357 1.00 13.90 C ATOM 1150 O VAL A 115 12.301 3.774 13.880 1.00 15.53 O ATOM 1151 CB VAL A 115 10.309 5.444 12.641 1.00 13.72 C ATOM 1152 CG1 VAL A 115 10.235 6.588 13.610 1.00 13.25 C ATOM 1153 CG2 VAL A 115 9.367 5.650 11.484 1.00 14.37 C ATOM 1154 H VAL A 115 11.417 3.284 11.294 1.00 0.00 H ATOM 1155 N GLU A 116 13.596 5.530 13.754 1.00 13.11 N ATOM 1156 CA GLU A 116 14.452 5.144 14.846 1.00 13.70 C ATOM 1157 C GLU A 116 14.176 6.148 15.959 1.00 15.72 C ATOM 1158 O GLU A 116 14.315 7.307 15.769 1.00 15.31 O ATOM 1159 CB GLU A 116 15.960 5.184 14.460 1.00 18.37 C ATOM 1160 CG GLU A 116 16.954 5.016 15.615 1.00 19.00 C ATOM 1161 CD GLU A 116 18.480 5.113 15.247 1.00 23.55 C ATOM 1162 OE1 GLU A 116 18.847 5.636 14.235 1.00 25.47 O ATOM 1163 OE2 GLU A 116 19.345 4.646 15.995 1.00 25.41 O ATOM 1164 H GLU A 116 13.779 6.429 13.263 1.00 0.00 H ATOM 1165 N CYS A 117 13.724 5.634 17.085 1.00 14.06 N ATOM 1166 CA CYS A 117 13.468 6.433 18.249 1.00 15.32 C ATOM 1167 C CYS A 117 14.573 6.212 19.271 1.00 15.04 C ATOM 1168 O CYS A 117 14.839 5.115 19.667 1.00 16.50 O ATOM 1169 CB CYS A 117 12.154 6.084 18.880 1.00 16.05 C ATOM 1170 SG CYS A 117 10.763 6.058 17.771 1.00 19.55 S ATOM 1171 H CYS A 117 13.546 4.610 17.132 1.00 0.00 H ATOM 1172 N VAL A 118 15.171 7.305 19.690 1.00 15.44 N ATOM 1173 CA VAL A 118 16.298 7.260 20.560 1.00 15.41 C ATOM 1174 C VAL A 118 16.119 8.070 21.826 1.00 16.02 C ATOM 1175 O VAL A 118 15.819 9.197 21.776 1.00 15.44 O ATOM 1176 CB VAL A 118 17.567 7.742 19.836 1.00 16.78 C ATOM 1177 CG1 VAL A 118 18.713 7.741 20.783 1.00 19.62 C ATOM 1178 CG2 VAL A 118 17.897 6.861 18.666 1.00 16.63 C ATOM 1179 H VAL A 118 14.811 8.229 19.377 1.00 0.00 H ATOM 1180 N MET A 119 16.393 7.440 22.945 1.00 15.90 N ATOM 1181 CA MET A 119 16.368 8.085 24.255 1.00 17.88 C ATOM 1182 C MET A 119 17.592 7.597 25.024 1.00 17.04 C ATOM 1183 O MET A 119 17.679 6.505 25.394 1.00 17.75 O ATOM 1184 CB MET A 119 15.075 7.826 25.012 1.00 16.65 C ATOM 1185 CG MET A 119 15.020 8.414 26.399 1.00 19.30 C ATOM 1186 SD MET A 119 14.822 10.166 26.301 1.00 21.34 S ATOM 1187 CE MET A 119 14.835 10.747 27.956 1.00 18.42 C ATOM 1188 H MET A 119 16.640 6.431 22.896 1.00 0.00 H ATOM 1189 N LYS A 120 18.541 8.477 25.120 1.00 15.23 N ATOM 1190 CA LYS A 120 19.793 8.237 25.784 1.00 15.69 C ATOM 1191 C LYS A 120 20.445 7.106 25.024 1.00 14.15 C ATOM 1192 O LYS A 120 20.747 7.241 23.881 1.00 15.64 O ATOM 1193 CB LYS A 120 19.514 7.873 27.238 1.00 15.51 C ATOM 1194 CG LYS A 120 19.063 9.057 28.064 1.00 17.23 C ATOM 1195 CD LYS A 120 18.239 8.615 29.208 1.00 18.30 C ATOM 1196 CE LYS A 120 18.903 9.012 30.482 1.00 20.84 C ATOM 1197 NZ LYS A 120 20.375 8.865 30.512 1.00 22.40 N ATOM 1198 HZ1 LYS A 120 20.626 7.869 30.350 1.00 0.00 H ATOM 1199 HZ2 LYS A 120 20.796 9.456 29.767 1.00 0.00 H ATOM 1200 HZ3 LYS A 120 20.734 9.168 31.440 1.00 0.00 H ATOM 1201 H LYS A 120 18.386 9.412 24.691 1.00 0.00 H ATOM 1202 N GLY A 121 20.588 5.972 25.651 1.00 14.05 N ATOM 1203 CA GLY A 121 21.223 4.879 24.969 1.00 14.72 C ATOM 1204 C GLY A 121 20.304 3.838 24.409 1.00 13.82 C ATOM 1205 O GLY A 121 20.734 2.854 23.924 1.00 11.59 O ATOM 1206 H GLY A 121 20.248 5.861 26.628 1.00 0.00 H ATOM 1207 N VAL A 122 19.021 4.060 24.497 1.00 16.69 N ATOM 1208 CA VAL A 122 18.128 3.084 24.033 1.00 18.18 C ATOM 1209 C VAL A 122 17.535 3.476 22.706 1.00 22.18 C ATOM 1210 O VAL A 122 17.029 4.558 22.575 1.00 20.35 O ATOM 1211 CB VAL A 122 17.015 2.892 25.056 1.00 19.80 C ATOM 1212 CG1 VAL A 122 15.901 2.049 24.503 1.00 18.54 C ATOM 1213 CG2 VAL A 122 17.631 2.308 26.310 1.00 23.48 C ATOM 1214 H VAL A 122 18.666 4.948 24.905 1.00 0.00 H ATOM 1215 N THR A 123 17.602 2.560 21.747 1.00 19.00 N ATOM 1216 CA THR A 123 17.000 2.758 20.456 1.00 20.53 C ATOM 1217 C THR A 123 15.879 1.776 20.137 1.00 22.20 C ATOM 1218 O THR A 123 16.012 0.606 20.344 1.00 23.08 O ATOM 1219 CB THR A 123 18.035 2.645 19.373 1.00 22.27 C ATOM 1220 OG1 THR A 123 19.075 3.562 19.646 1.00 22.84 O ATOM 1221 CG2 THR A 123 17.414 2.891 18.060 1.00 21.90 C ATOM 1222 HG1 THR A 123 19.765 3.497 18.939 1.00 0.00 H ATOM 1223 H THR A 123 18.106 1.670 21.936 1.00 0.00 H ATOM 1224 N SER A 124 14.796 2.303 19.609 1.00 16.28 N ATOM 1225 CA SER A 124 13.732 1.513 19.076 1.00 16.36 C ATOM 1226 C SER A 124 13.563 1.698 17.550 1.00 15.94 C ATOM 1227 O SER A 124 13.530 2.781 17.063 1.00 16.43 O ATOM 1228 CB SER A 124 12.433 1.815 19.783 1.00 14.68 C ATOM 1229 OG SER A 124 11.431 1.097 19.233 1.00 15.13 O ATOM 1230 HG SER A 124 11.633 0.132 19.319 1.00 0.00 H ATOM 1231 H SER A 124 14.711 3.339 19.578 1.00 0.00 H ATOM 1232 N THR A 125 13.435 0.601 16.834 1.00 14.60 N ATOM 1233 CA THR A 125 13.258 0.660 15.387 1.00 14.86 C ATOM 1234 C THR A 125 11.849 0.273 14.983 1.00 15.53 C ATOM 1235 O THR A 125 11.405 -0.763 15.274 1.00 17.27 O ATOM 1236 CB THR A 125 14.289 -0.220 14.662 1.00 17.33 C ATOM 1237 OG1 THR A 125 15.573 0.101 15.129 1.00 18.74 O ATOM 1238 CG2 THR A 125 14.289 0.013 13.241 1.00 17.66 C ATOM 1239 HG1 THR A 125 15.619 -0.064 16.104 1.00 0.00 H ATOM 1240 H THR A 125 13.460 -0.324 17.308 1.00 0.00 H ATOM 1241 N ARG A 126 11.197 1.182 14.310 1.00 13.59 N ATOM 1242 CA ARG A 126 9.873 0.980 13.851 1.00 14.77 C ATOM 1243 C ARG A 126 9.800 1.102 12.342 1.00 15.13 C ATOM 1244 O ARG A 126 10.139 2.128 11.808 1.00 17.14 O ATOM 1245 CB ARG A 126 8.869 1.846 14.591 1.00 16.46 C ATOM 1246 CG ARG A 126 8.307 0.992 15.701 1.00 26.77 C ATOM 1247 CD ARG A 126 7.973 1.684 16.936 1.00 21.05 C ATOM 1248 NE ARG A 126 6.667 2.242 16.858 1.00 21.12 N ATOM 1249 CZ ARG A 126 5.566 1.622 17.182 1.00 18.37 C ATOM 1250 NH1 ARG A 126 5.595 0.391 17.593 1.00 19.68 N ATOM 1251 NH2 ARG A 126 4.464 2.264 17.110 1.00 19.14 N ATOM 1252 HE ARG A 126 6.583 3.221 16.516 1.00 0.00 H ATOM 1253 HH12 ARG A 126 4.711 -0.093 17.849 1.00 0.00 H ATOM 1254 HH11 ARG A 126 6.503 -0.111 17.667 1.00 0.00 H ATOM 1255 HH22 ARG A 126 3.571 1.794 17.362 1.00 0.00 H ATOM 1256 HH21 ARG A 126 4.460 3.256 16.799 1.00 0.00 H ATOM 1257 H ARG A 126 11.667 2.087 14.104 1.00 0.00 H ATOM 1258 N VAL A 127 9.378 0.023 11.695 1.00 13.03 N ATOM 1259 CA VAL A 127 9.417 -0.072 10.251 1.00 13.28 C ATOM 1260 C VAL A 127 8.042 0.021 9.656 1.00 13.74 C ATOM 1261 O VAL A 127 7.186 -0.696 10.019 1.00 15.38 O ATOM 1262 CB VAL A 127 10.107 -1.368 9.781 1.00 14.86 C ATOM 1263 CG1 VAL A 127 10.229 -1.394 8.287 1.00 16.03 C ATOM 1264 CG2 VAL A 127 11.457 -1.479 10.399 1.00 15.49 C ATOM 1265 H VAL A 127 9.008 -0.780 12.243 1.00 0.00 H ATOM 1266 N TYR A 128 7.887 0.939 8.718 1.00 13.02 N ATOM 1267 CA TYR A 128 6.653 1.125 8.002 1.00 13.85 C ATOM 1268 C TYR A 128 6.786 0.767 6.490 1.00 15.69 C ATOM 1269 O TYR A 128 7.798 0.997 5.925 1.00 14.47 O ATOM 1270 CB TYR A 128 6.216 2.583 8.084 1.00 13.69 C ATOM 1271 CG TYR A 128 5.779 3.054 9.439 1.00 13.60 C ATOM 1272 CD1 TYR A 128 6.689 3.343 10.409 1.00 13.17 C ATOM 1273 CD2 TYR A 128 4.450 3.220 9.735 1.00 13.20 C ATOM 1274 CE1 TYR A 128 6.283 3.797 11.631 1.00 13.88 C ATOM 1275 CE2 TYR A 128 4.016 3.684 10.949 1.00 13.03 C ATOM 1276 CZ TYR A 128 4.929 3.961 11.913 1.00 13.73 C ATOM 1277 OH TYR A 128 4.537 4.388 13.127 1.00 15.66 O ATOM 1278 HH TYR A 128 5.333 4.538 13.696 1.00 0.00 H ATOM 1279 H TYR A 128 8.693 1.554 8.487 1.00 0.00 H ATOM 1280 N GLU A 129 5.725 0.239 5.887 1.00 16.16 N ATOM 1281 CA GLU A 129 5.608 0.029 4.449 1.00 17.14 C ATOM 1282 C GLU A 129 4.405 0.789 3.927 1.00 18.03 C ATOM 1283 O GLU A 129 3.588 1.172 4.655 1.00 15.90 O ATOM 1284 CB GLU A 129 5.408 -1.443 4.108 1.00 18.24 C ATOM 1285 CG GLU A 129 6.454 -2.307 4.692 1.00 21.15 C ATOM 1286 CD GLU A 129 6.441 -3.711 4.163 1.00 21.76 C ATOM 1287 OE1 GLU A 129 5.357 -4.213 3.831 1.00 22.31 O ATOM 1288 OE2 GLU A 129 7.550 -4.233 4.074 1.00 24.22 O ATOM 1289 H GLU A 129 4.922 -0.044 6.484 1.00 0.00 H ATOM 1290 N ARG A 130 4.327 0.976 2.621 1.00 20.06 N ATOM 1291 CA ARG A 130 3.216 1.695 2.059 1.00 19.18 C ATOM 1292 C ARG A 130 1.892 0.958 2.280 1.00 22.44 C ATOM 1293 O ARG A 130 1.820 -0.221 2.212 1.00 20.18 O ATOM 1294 CB ARG A 130 3.467 1.961 0.587 1.00 22.92 C ATOM 1295 CG ARG A 130 4.602 2.919 0.355 1.00 24.29 C ATOM 1296 CD ARG A 130 4.298 3.888 -0.753 1.00 24.92 C ATOM 1297 NE ARG A 130 5.428 4.696 -1.169 1.00 24.54 N ATOM 1298 CZ ARG A 130 5.439 5.995 -1.019 1.00 23.05 C ATOM 1299 NH1 ARG A 130 4.403 6.565 -0.469 1.00 24.24 N ATOM 1300 NH2 ARG A 130 6.453 6.708 -1.386 1.00 24.20 N ATOM 1301 HE ARG A 130 6.252 4.230 -1.598 1.00 0.00 H ATOM 1302 HH12 ARG A 130 4.386 7.597 -0.338 1.00 0.00 H ATOM 1303 HH11 ARG A 130 3.594 5.988 -0.162 1.00 0.00 H ATOM 1304 HH22 ARG A 130 6.438 7.740 -1.256 1.00 0.00 H ATOM 1305 HH21 ARG A 130 7.284 6.250 -1.811 1.00 0.00 H ATOM 1306 H ARG A 130 5.071 0.602 1.998 1.00 0.00 H ATOM 1307 N ALA A 131 0.858 1.689 2.571 1.00 21.77 N ATOM 1308 CA ALA A 131 -0.414 1.076 2.834 1.00 27.45 C ATOM 1309 C ALA A 131 -1.070 0.579 1.555 1.00 34.13 C ATOM 1310 O ALA A 131 -0.634 0.970 0.495 1.00 34.95 O ATOM 1311 CB ALA A 131 -1.313 2.053 3.548 1.00 29.97 C ATOM 1312 OXT ALA A 131 -2.020 -0.203 1.597 1.00 36.92 O ATOM 1313 H ALA A 131 0.952 2.724 2.614 1.00 0.00 H TER 1314 ALA A 131 HETATM 1315 O HOH 1 -2.100 20.181 11.455 1.00 29.90 O HETATM 1316 O HOH 2 10.317 -4.165 28.072 1.00 43.50 O HETATM 1317 O HOH 3 6.825 -3.216 30.351 1.00 23.38 O HETATM 1318 O HOH 4 18.737 4.635 2.447 1.00 28.99 O HETATM 1319 O HOH 5 6.366 0.007 0.934 1.00 28.01 O HETATM 1320 O HOH 6 -3.749 -1.337 19.446 1.00 16.57 O HETATM 1321 O HOH 7 15.556 -6.024 18.916 1.00 33.16 O HETATM 1322 O HOH 8 15.173 -6.407 21.514 1.00 38.04 O HETATM 1323 O HOH 9 7.128 27.602 12.092 1.00 27.49 O HETATM 1324 O HOH 10 0.268 -2.605 9.870 1.00 35.77 O HETATM 1325 O HOH 11 5.675 12.680 17.937 1.00 27.85 O HETATM 1326 O HOH 12 -1.432 0.005 10.289 1.00 30.27 O HETATM 1327 O HOH 13 3.998 28.230 22.751 1.00 28.30 O HETATM 1328 O HOH 14 9.711 23.241 5.426 1.00 16.87 O HETATM 1329 O HOH 15 6.472 8.040 13.049 1.00 16.53 O HETATM 1330 O HOH 16 -3.720 -0.666 22.173 1.00 14.86 O HETATM 1331 O HOH 17 17.721 -1.917 19.765 1.00 41.68 O HETATM 1332 O HOH 18 2.738 0.523 18.589 1.00 19.60 O HETATM 1333 O HOH 19 9.725 -7.508 17.291 1.00 39.86 O HETATM 1334 O HOH 20 -0.404 -5.375 17.552 1.00 36.34 O HETATM 1335 O HOH 21 8.647 -3.673 1.427 1.00 42.19 O HETATM 1336 O HOH 22 4.845 -1.890 25.698 1.00 24.77 O HETATM 1337 O HOH 23 17.590 13.551 21.871 1.00 32.54 O HETATM 1338 O HOH 24 8.837 28.792 17.033 1.00 25.10 O HETATM 1339 O HOH 25 15.328 8.973 3.394 1.00 31.72 O HETATM 1340 O HOH 26 21.162 7.613 17.506 1.00 42.46 O HETATM 1341 O HOH 27 18.327 -0.077 21.910 1.00 17.99 O HETATM 1342 O HOH 28 5.130 9.910 29.691 1.00 29.89 O HETATM 1343 O HOH 29 11.624 12.395 12.144 1.00 13.89 O HETATM 1344 O HOH 30 19.445 14.840 18.544 1.00 40.40 O HETATM 1345 O HOH 31 7.457 11.669 16.515 1.00 25.12 O HETATM 1346 O HOH 32 7.519 -6.351 15.097 1.00 33.18 O HETATM 1347 O HOH 33 12.958 21.772 19.887 1.00 32.39 O HETATM 1348 O HOH 34 11.333 -5.847 20.642 1.00 37.26 O HETATM 1349 O HOH 35 4.136 27.054 2.495 1.00 26.73 O HETATM 1350 O HOH 36 2.210 14.456 18.530 1.00 29.68 O HETATM 1351 O HOH 37 8.694 10.500 21.777 1.00 17.48 O HETATM 1352 O HOH 38 6.347 9.529 -1.889 1.00 26.87 O HETATM 1353 O HOH 39 21.016 11.831 10.379 1.00 53.12 O HETATM 1354 O HOH 40 18.370 11.082 24.059 1.00 30.73 O HETATM 1355 O HOH 41 20.766 5.080 28.321 1.00 33.90 O HETATM 1356 O HOH 42 4.494 24.295 13.366 1.00 17.19 O HETATM 1357 O HOH 43 10.288 21.972 12.795 1.00 13.27 O HETATM 1358 O HOH 44 1.708 5.696 0.255 1.00 22.89 O HETATM 1359 O HOH 45 -7.150 9.601 19.429 1.00 30.23 O HETATM 1360 O HOH 46 16.892 -0.907 17.436 1.00 32.63 O HETATM 1361 O HOH 47 5.116 22.591 24.298 1.00 30.56 O HETATM 1362 O HOH 48 0.129 3.572 -0.368 1.00 30.67 O HETATM 1363 O HOH 49 7.271 24.737 12.538 1.00 17.64 O HETATM 1364 O HOH 50 16.224 21.157 7.486 1.00 23.87 O HETATM 1365 O HOH 51 11.505 -3.151 13.710 1.00 23.58 O HETATM 1366 O HOH 52 17.789 0.694 -2.315 1.00 25.28 O HETATM 1367 O HOH 53 6.044 27.369 15.145 1.00 28.14 O HETATM 1368 O HOH 54 0.270 2.807 34.485 1.00 28.10 O HETATM 1369 O HOH 55 15.989 18.822 14.328 1.00 21.75 O HETATM 1370 O HOH 56 1.063 20.292 4.965 1.00 17.09 O HETATM 1371 O HOH 57 2.384 -3.764 24.568 1.00 33.36 O HETATM 1372 O HOH 58 -0.693 18.802 3.462 1.00 31.80 O HETATM 1373 O HOH 59 10.635 14.904 32.898 1.00 51.44 O HETATM 1374 O HOH 60 8.722 -3.463 20.168 1.00 19.87 O HETATM 1375 O HOH 61 14.371 -6.648 -1.772 1.00 49.84 O HETATM 1376 O HOH 62 -1.452 14.013 21.584 1.00 45.53 O HETATM 1377 O HOH 63 0.271 18.655 19.609 1.00 28.94 O HETATM 1378 O HOH 64 1.828 15.939 -0.343 1.00 33.02 O HETATM 1379 O HOH 65 3.720 10.847 20.162 1.00 23.63 O HETATM 1380 O HOH 66 14.318 21.338 28.531 1.00 45.86 O HETATM 1381 O HOH 67 14.977 1.105 28.936 1.00 38.44 O HETATM 1382 O HOH 68 0.239 4.841 32.228 1.00 23.69 O HETATM 1383 O HOH 69 -0.506 14.280 6.574 1.00 24.45 O HETATM 1384 O HOH 70 5.482 -2.283 20.032 1.00 39.43 O HETATM 1385 O HOH 71 -2.792 20.236 1.914 1.00 25.39 O HETATM 1386 O HOH 72 3.032 -5.314 21.906 1.00 36.72 O HETATM 1387 O HOH 73 4.939 17.338 30.023 1.00 37.79 O HETATM 1388 O HOH 74 8.519 -3.676 22.654 1.00 25.30 O HETATM 1389 O HOH 75 2.661 7.976 30.987 1.00 31.37 O HETATM 1390 O HOH 76 9.968 29.008 19.814 1.00 32.30 O HETATM 1391 O HOH 77 21.968 11.888 7.741 1.00 42.40 O HETATM 1392 O HOH 78 0.533 16.793 18.105 1.00 38.50 O HETATM 1393 O HOH 79 17.702 13.205 27.728 1.00 29.39 O HETATM 1394 O HOH 80 -8.515 5.601 14.599 1.00 39.78 O HETATM 1395 O HOH 81 -7.810 6.226 19.164 1.00 32.96 O HETATM 1396 O HOH 82 4.864 7.721 34.587 1.00 49.48 O HETATM 1397 O HOH 83 5.826 11.269 20.226 1.00 28.90 O HETATM 1398 O HOH 84 16.870 21.041 4.476 1.00 33.65 O HETATM 1399 O HOH 85 2.736 -6.285 19.596 1.00 45.43 O HETATM 1400 O HOH 86 5.962 -2.815 22.734 1.00 31.22 O HETATM 1401 O1 L A 96 6.340 5.786 14.366 1.00 -0.57 O HETATM 1402 C24 L A 96 6.511 5.658 15.586 1.00 0.04 C HETATM 1403 O2 L A 96 5.908 4.634 16.214 1.00 -0.57 O HETATM 1404 C23 L A 96 7.294 6.687 16.387 1.00 0.03 C HETATM 1405 C22 L A 96 6.392 7.900 16.672 1.00 0.06 C HETATM 1406 N2 L A 96 5.269 7.525 17.537 1.00 -0.27 N HETATM 1407 C12 L A 96 3.953 7.423 17.102 1.00 0.06 C HETATM 1408 C5 L A 96 3.137 6.964 18.197 1.00 -0.03 C HETATM 1409 C2 L A 96 1.630 6.703 18.139 1.00 -0.01 C HETATM 1410 C1 L A 96 0.606 7.704 17.918 1.00 0.07 C HETATM 1411 C L A 96 0.834 9.192 17.813 1.00 -0.00 C HETATM 1412 H5 L A 96 -0.127 9.699 17.645 1.00 0.04 H HETATM 1413 H6 L A 96 1.511 9.401 16.972 1.00 0.04 H HETATM 1414 H7 L A 96 1.284 9.561 18.746 1.00 0.04 H HETATM 1415 N1 L A 96 -0.593 7.015 17.845 1.00 -0.23 N HETATM 1416 N L A 96 -0.333 5.644 17.997 1.00 -0.24 N HETATM 1417 C3 L A 96 1.001 5.380 18.153 1.00 0.00 C HETATM 1418 C4 L A 96 1.646 4.042 18.377 1.00 -0.03 C HETATM 1419 H9 L A 96 0.882 3.253 18.322 1.00 0.04 H HETATM 1420 H10 L A 96 2.120 4.025 19.370 1.00 0.04 H HETATM 1421 H11 L A 96 2.409 3.869 17.604 1.00 0.04 H HETATM 1422 H8 L A 96 -1.521 7.438 17.703 1.00 0.25 H HETATM 1423 C6 L A 96 4.006 6.811 19.358 1.00 -0.02 C HETATM 1424 C7 L A 96 3.754 6.507 20.694 1.00 -0.07 C HETATM 1425 C8 L A 96 4.775 6.542 21.603 1.00 -0.06 C HETATM 1426 C25 L A 96 4.530 6.079 23.013 1.00 -0.01 C HETATM 1427 C26 L A 96 3.390 6.733 23.785 1.00 -0.04 C HETATM 1428 C27 L A 96 4.877 7.120 24.064 1.00 -0.04 C HETATM 1429 H16 L A 96 5.257 8.106 23.760 1.00 0.03 H HETATM 1430 H17 L A 96 5.359 6.815 25.004 1.00 0.03 H HETATM 1431 H14 L A 96 2.821 6.154 24.527 1.00 0.03 H HETATM 1432 H15 L A 96 2.719 7.445 23.282 1.00 0.03 H HETATM 1433 H13 L A 96 4.764 5.012 23.142 1.00 0.04 H HETATM 1434 C9 L A 96 6.091 6.861 21.173 1.00 -0.07 C HETATM 1435 C10 L A 96 6.360 7.244 19.849 1.00 -0.05 C HETATM 1436 C11 L A 96 5.355 7.242 18.871 1.00 0.06 C HETATM 1437 H19 L A 96 7.365 7.547 19.578 1.00 0.05 H HETATM 1438 H18 L A 96 6.907 6.807 21.884 1.00 0.05 H HETATM 1439 H12 L A 96 2.752 6.244 21.012 1.00 0.05 H HETATM 1440 C13 L A 96 3.492 7.697 15.712 1.00 -0.01 C HETATM 1441 C14 L A 96 3.182 6.721 14.764 1.00 -0.07 C HETATM 1442 C15 L A 96 2.707 7.119 13.477 1.00 -0.07 C HETATM 1443 C16 L A 96 2.631 8.497 13.150 1.00 -0.04 C HETATM 1444 C17 L A 96 2.953 9.460 14.129 1.00 0.09 C HETATM 1445 C18 L A 96 3.410 9.089 15.397 1.00 -0.03 C HETATM 1446 H23 L A 96 3.696 9.840 16.125 1.00 0.05 H HETATM 1447 O L A 96 2.767 10.801 13.778 1.00 -0.32 O HETATM 1448 C19 L A 96 2.846 11.874 14.717 1.00 0.08 C HETATM 1449 C20 L A 96 4.240 12.489 14.619 1.00 -0.03 C HETATM 1450 H25 L A 96 4.325 13.320 15.335 1.00 0.03 H HETATM 1451 H26 L A 96 4.404 12.866 13.599 1.00 0.03 H HETATM 1452 H27 L A 96 4.995 11.724 14.853 1.00 0.03 H HETATM 1453 C21 L A 96 1.695 12.818 14.305 1.00 -0.03 C HETATM 1454 H28 L A 96 1.674 13.687 14.979 1.00 0.03 H HETATM 1455 H29 L A 96 0.738 12.280 14.371 1.00 0.03 H HETATM 1456 H30 L A 96 1.853 13.160 13.271 1.00 0.03 H HETATM 1457 H24 L A 96 2.684 11.515 15.744 1.00 0.06 H HETATM 1458 H22 L A 96 2.328 8.807 12.156 1.00 0.05 H HETATM 1459 H21 L A 96 2.406 6.371 12.753 1.00 0.06 H HETATM 1460 H20 L A 96 3.301 5.670 15.002 1.00 0.05 H HETATM 1461 H3 L A 96 6.000 8.289 15.721 1.00 0.06 H HETATM 1462 H4 L A 96 6.985 8.681 17.170 1.00 0.06 H HETATM 1463 H1 L A 96 8.174 7.010 15.811 1.00 0.05 H HETATM 1464 H2 L A 96 7.622 6.241 17.338 1.00 0.05 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1401 1402 CONECT 1402 1401 1403 1404 CONECT 1403 1402 CONECT 1404 1402 1405 1463 1464 CONECT 1405 1404 1406 1461 1462 CONECT 1406 1405 1407 1436 CONECT 1407 1406 1408 1440 CONECT 1408 1407 1409 1423 CONECT 1409 1408 1410 1417 CONECT 1410 1409 1411 1415 CONECT 1411 1410 1412 1413 1414 CONECT 1412 1411 CONECT 1413 1411 CONECT 1414 1411 CONECT 1415 1410 1416 1422 CONECT 1416 1415 1417 CONECT 1417 1409 1416 1418 CONECT 1418 1417 1419 1420 1421 CONECT 1419 1418 CONECT 1420 1418 CONECT 1421 1418 CONECT 1422 1415 CONECT 1423 1408 1424 1436 CONECT 1424 1423 1425 1439 CONECT 1425 1424 1426 1434 CONECT 1426 1425 1427 1428 1433 CONECT 1427 1426 1428 1431 1432 CONECT 1428 1426 1427 1429 1430 CONECT 1429 1428 CONECT 1430 1428 CONECT 1431 1427 CONECT 1432 1427 CONECT 1433 1426 CONECT 1434 1425 1435 1438 CONECT 1435 1434 1436 1437 CONECT 1436 1406 1423 1435 CONECT 1437 1435 CONECT 1438 1434 CONECT 1439 1424 CONECT 1440 1407 1441 1445 CONECT 1441 1440 1442 1460 CONECT 1442 1441 1443 1459 CONECT 1443 1442 1444 1458 CONECT 1444 1443 1445 1447 CONECT 1445 1440 1444 1446 CONECT 1446 1445 CONECT 1447 1444 1448 CONECT 1448 1447 1449 1453 1457 CONECT 1449 1448 1450 1451 1452 CONECT 1450 1449 CONECT 1451 1449 CONECT 1452 1449 CONECT 1453 1448 1454 1455 1456 CONECT 1454 1453 CONECT 1455 1453 CONECT 1456 1453 CONECT 1457 1448 CONECT 1458 1443 CONECT 1459 1442 CONECT 1460 1441 CONECT 1461 1405 CONECT 1462 1405 CONECT 1463 1404 CONECT 1464 1404 MASTER 0 0 0 0 0 0 0 0 1463 1 68 11 END
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Related entries of code: 5d48
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5d48
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human Fatty acid-binding protein, adipocyte (FABP4)
Ligand Name
L96
EC.Number
E.C.-.-.-.-
Resolution
1.81(Å)
Affinity (Kd/Ki/IC50)
Ki=0.03uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 435-439
Ligand Properties
Formula
C
2
8
H
3
1
N
3
O
3
Molecular Weight
457.564
Exact Mass
457.237
No. of atoms
65
No. of bonds
69
Polar Surface Area
80.14
LOGP Value
6.94 (
Computed with XLOGP3
)
6.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
OC(=O)CCn1c(c2cccc(c2)OC(C)C)c(c2c1ccc(c2)C1CC1)c1c(C)n[nH]c1C
InChI String
InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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