Browse entries in the PDBbind-CN Database
HEADER 5N8T_COMPLEX COMPND 5N8T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 120 ALA GLY ILE THR GLY THR TRP TYR ASN GLN LEU GLY SER SEQRES 2 A 120 THR PHE ILE VAL THR ALA GLY ALA ASP GLY ALA LEU THR SEQRES 3 A 120 GLY THR TYR GLU SER ALA VAL GLY ASN ALA GLU SER ARG SEQRES 4 A 120 TYR VAL LEU THR GLY ARG TYR ASP SER ALA PRO ALA THR SEQRES 5 A 120 ASP GLY SER GLY THR ALA LEU GLY TRP THR VAL ALA TRP SEQRES 6 A 120 LYS ASN ASN TYR ARG ASN ALA HIS SER ALA THR THR TRP SEQRES 7 A 120 SER GLY GLN TYR VAL GLY GLY ALA GLU ALA ARG ILE ASN SEQRES 8 A 120 THR GLN TRP LEU LEU THR SER GLY THR THR GLU ALA ASN SEQRES 9 A 120 ALA TRP LYS SER THR LEU VAL GLY HIS ASP THR PHE THR SEQRES 10 A 120 LYS VAL LYS HET DLE A 188 165 ATOM 1 N ALA A 15 5.195 25.569 -12.402 1.00 65.31 N ATOM 2 CA ALA A 15 5.067 24.294 -11.599 1.00 62.65 C ATOM 3 C ALA A 15 3.914 24.338 -10.590 1.00 60.88 C ATOM 4 O ALA A 15 3.270 23.308 -10.373 1.00 61.25 O ATOM 5 CB ALA A 15 6.378 23.960 -10.891 1.00 62.47 C ATOM 6 HN3 ALA A 15 5.367 26.367 -11.758 1.00 0.00 H ATOM 7 HN2 ALA A 15 4.315 25.733 -12.932 1.00 0.00 H ATOM 8 HN1 ALA A 15 5.990 25.480 -13.066 1.00 0.00 H ATOM 9 N GLY A 16 3.693 25.503 -9.959 1.00 58.36 N ATOM 10 CA GLY A 16 2.564 25.741 -9.033 1.00 55.19 C ATOM 11 C GLY A 16 2.578 25.017 -7.683 1.00 52.40 C ATOM 12 O GLY A 16 1.591 25.040 -6.923 1.00 51.31 O ATOM 13 H GLY A 16 4.356 26.285 -10.132 1.00 0.00 H ATOM 14 N ILE A 17 3.707 24.409 -7.353 1.00 48.72 N ATOM 15 CA ILE A 17 3.825 23.557 -6.173 1.00 46.16 C ATOM 16 C ILE A 17 4.252 24.364 -4.942 1.00 45.90 C ATOM 17 O ILE A 17 3.819 24.058 -3.830 1.00 45.87 O ATOM 18 CB ILE A 17 4.779 22.368 -6.463 1.00 44.72 C ATOM 19 CG1 ILE A 17 4.101 21.389 -7.441 1.00 44.59 C ATOM 20 CG2 ILE A 17 5.202 21.639 -5.189 1.00 43.43 C ATOM 21 CD1 ILE A 17 5.053 20.368 -8.047 1.00 43.58 C ATOM 22 H ILE A 17 4.542 24.544 -7.958 1.00 0.00 H ATOM 23 N THR A 18 5.078 25.393 -5.133 1.00 46.02 N ATOM 24 CA THR A 18 5.630 26.143 -4.007 1.00 45.74 C ATOM 25 C THR A 18 4.502 26.823 -3.252 1.00 45.65 C ATOM 26 O THR A 18 3.617 27.432 -3.859 1.00 46.16 O ATOM 27 CB THR A 18 6.680 27.179 -4.448 1.00 47.26 C ATOM 28 OG1 THR A 18 7.823 26.503 -4.977 1.00 45.14 O ATOM 29 CG2 THR A 18 7.126 28.061 -3.276 1.00 48.46 C ATOM 30 HG1 THR A 18 8.498 27.170 -5.260 1.00 0.00 H ATOM 31 H THR A 18 5.335 25.667 -6.103 1.00 0.00 H ATOM 32 N GLY A 19 4.538 26.704 -1.929 1.00 44.26 N ATOM 33 CA GLY A 19 3.552 27.348 -1.069 1.00 44.85 C ATOM 34 C GLY A 19 3.168 26.481 0.102 1.00 43.36 C ATOM 35 O GLY A 19 3.795 25.460 0.373 1.00 42.55 O ATOM 36 H GLY A 19 5.292 26.135 -1.494 1.00 0.00 H ATOM 37 N THR A 20 2.157 26.937 0.827 1.00 44.37 N ATOM 38 CA THR A 20 1.661 26.238 1.988 1.00 44.02 C ATOM 39 C THR A 20 0.471 25.373 1.542 1.00 42.76 C ATOM 40 O THR A 20 -0.431 25.834 0.820 1.00 43.17 O ATOM 41 CB THR A 20 1.273 27.220 3.118 1.00 46.58 C ATOM 42 OG1 THR A 20 2.423 28.010 3.488 1.00 48.37 O ATOM 43 CG2 THR A 20 0.781 26.459 4.346 1.00 45.66 C ATOM 44 HG1 THR A 20 2.738 28.521 2.701 1.00 0.00 H ATOM 45 H THR A 20 1.704 27.831 0.549 1.00 0.00 H ATOM 46 N TRP A 21 0.494 24.112 1.967 1.00 41.25 N ATOM 47 CA TRP A 21 -0.516 23.141 1.610 1.00 39.25 C ATOM 48 C TRP A 21 -1.102 22.565 2.899 1.00 38.77 C ATOM 49 O TRP A 21 -0.412 22.457 3.918 1.00 39.53 O ATOM 50 CB TRP A 21 0.112 22.030 0.785 1.00 38.65 C ATOM 51 CG TRP A 21 0.517 22.429 -0.600 1.00 38.65 C ATOM 52 CD1 TRP A 21 1.732 22.895 -0.991 1.00 39.74 C ATOM 53 CD2 TRP A 21 -0.291 22.368 -1.774 1.00 39.11 C ATOM 54 NE1 TRP A 21 1.736 23.128 -2.349 1.00 40.11 N ATOM 55 CE2 TRP A 21 0.503 22.817 -2.853 1.00 39.47 C ATOM 56 CE3 TRP A 21 -1.616 21.975 -2.026 1.00 38.76 C ATOM 57 CZ2 TRP A 21 0.022 22.865 -4.162 1.00 40.80 C ATOM 58 CZ3 TRP A 21 -2.093 22.026 -3.316 1.00 39.50 C ATOM 59 CH2 TRP A 21 -1.281 22.490 -4.374 1.00 40.40 C ATOM 60 HE1 TRP A 21 2.544 23.482 -2.900 1.00 0.00 H ATOM 61 H TRP A 21 1.275 23.811 2.585 1.00 0.00 H ATOM 62 N TYR A 22 -2.366 22.181 2.825 1.00 37.54 N ATOM 63 CA TYR A 22 -3.119 21.670 3.960 1.00 38.17 C ATOM 64 C TYR A 22 -3.786 20.365 3.533 1.00 37.62 C ATOM 65 O TYR A 22 -4.448 20.327 2.495 1.00 35.94 O ATOM 66 CB TYR A 22 -4.212 22.657 4.365 1.00 39.56 C ATOM 67 CG TYR A 22 -3.713 24.050 4.654 1.00 41.20 C ATOM 68 CD1 TYR A 22 -3.244 24.397 5.918 1.00 42.99 C ATOM 69 CD2 TYR A 22 -3.701 25.025 3.659 1.00 42.62 C ATOM 70 CE1 TYR A 22 -2.788 25.686 6.186 1.00 44.78 C ATOM 71 CE2 TYR A 22 -3.241 26.316 3.915 1.00 44.14 C ATOM 72 CZ TYR A 22 -2.783 26.644 5.177 1.00 45.57 C ATOM 73 OH TYR A 22 -2.336 27.927 5.438 1.00 46.48 O ATOM 74 HH TYR A 22 -2.046 27.989 6.383 1.00 0.00 H ATOM 75 H TYR A 22 -2.847 22.248 1.906 1.00 0.00 H ATOM 76 N ASN A 23 -3.632 19.310 4.321 1.00 37.96 N ATOM 77 CA ASN A 23 -4.335 18.062 4.010 1.00 36.84 C ATOM 78 C ASN A 23 -5.758 18.108 4.540 1.00 37.75 C ATOM 79 O ASN A 23 -6.191 19.090 5.145 1.00 38.39 O ATOM 80 CB ASN A 23 -3.558 16.813 4.459 1.00 35.52 C ATOM 81 CG ASN A 23 -3.649 16.529 5.952 1.00 35.96 C ATOM 82 OD1 ASN A 23 -4.230 17.289 6.719 1.00 37.20 O ATOM 83 ND2 ASN A 23 -3.003 15.433 6.371 1.00 36.52 N ATOM 84 HD22 ASN A 23 -2.524 14.817 5.683 1.00 0.00 H ATOM 85 HD21 ASN A 23 -2.981 15.198 7.384 1.00 0.00 H ATOM 86 H ASN A 23 -3.015 19.368 5.156 1.00 0.00 H ATOM 87 N GLN A 24 -6.481 17.025 4.314 1.00 38.01 N ATOM 88 CA GLN A 24 -7.897 16.948 4.650 1.00 39.74 C ATOM 89 C GLN A 24 -8.210 17.057 6.152 1.00 41.61 C ATOM 90 O GLN A 24 -9.321 17.406 6.520 1.00 43.47 O ATOM 91 CB GLN A 24 -8.501 15.673 4.043 1.00 39.27 C ATOM 92 CG GLN A 24 -8.064 14.331 4.659 1.00 38.44 C ATOM 93 CD GLN A 24 -6.665 13.800 4.267 1.00 37.19 C ATOM 94 OE1 GLN A 24 -5.923 14.376 3.451 1.00 33.25 O ATOM 95 NE2 GLN A 24 -6.304 12.672 4.879 1.00 39.50 N ATOM 96 HE22 GLN A 24 -6.950 12.218 5.556 1.00 0.00 H ATOM 97 HE21 GLN A 24 -5.376 12.246 4.680 1.00 0.00 H ATOM 98 H GLN A 24 -6.023 16.198 3.881 1.00 0.00 H ATOM 99 N LEU A 25 -7.229 16.758 7.003 1.00 42.07 N ATOM 100 CA LEU A 25 -7.362 16.897 8.457 1.00 44.72 C ATOM 101 C LEU A 25 -6.727 18.198 8.968 1.00 46.70 C ATOM 102 O LEU A 25 -6.646 18.427 10.175 1.00 48.55 O ATOM 103 CB LEU A 25 -6.728 15.671 9.147 1.00 44.35 C ATOM 104 CG LEU A 25 -7.270 14.306 8.702 1.00 45.69 C ATOM 105 CD1 LEU A 25 -6.596 13.167 9.477 1.00 47.08 C ATOM 106 CD2 LEU A 25 -8.778 14.211 8.850 1.00 47.95 C ATOM 107 H LEU A 25 -6.328 16.410 6.618 1.00 0.00 H ATOM 108 N GLY A 26 -6.275 19.050 8.054 1.00 46.10 N ATOM 109 CA GLY A 26 -5.746 20.366 8.414 1.00 46.62 C ATOM 110 C GLY A 26 -4.260 20.423 8.760 1.00 45.08 C ATOM 111 O GLY A 26 -3.790 21.480 9.188 1.00 46.24 O ATOM 112 H GLY A 26 -6.298 18.773 7.052 1.00 0.00 H ATOM 113 N SER A 27 -3.516 19.322 8.588 1.00 41.19 N ATOM 114 CA SER A 27 -2.053 19.345 8.795 1.00 40.63 C ATOM 115 C SER A 27 -1.416 20.276 7.758 1.00 40.86 C ATOM 116 O SER A 27 -1.802 20.254 6.601 1.00 39.50 O ATOM 117 CB SER A 27 -1.443 17.942 8.662 1.00 39.61 C ATOM 118 OG SER A 27 -1.959 17.040 9.641 1.00 40.32 O ATOM 119 HG SER A 27 -1.542 16.150 9.521 1.00 0.00 H ATOM 120 H SER A 27 -3.977 18.434 8.303 1.00 0.00 H ATOM 121 N THR A 28 -0.402 21.024 8.167 1.00 40.77 N ATOM 122 CA THR A 28 0.193 22.085 7.357 1.00 41.76 C ATOM 123 C THR A 28 1.586 21.711 6.859 1.00 41.20 C ATOM 124 O THR A 28 2.447 21.329 7.649 1.00 41.62 O ATOM 125 CB THR A 28 0.294 23.364 8.192 1.00 43.18 C ATOM 126 OG1 THR A 28 -1.019 23.746 8.632 1.00 43.17 O ATOM 127 CG2 THR A 28 0.940 24.501 7.400 1.00 44.51 C ATOM 128 HG1 THR A 28 -0.957 24.573 9.172 1.00 0.00 H ATOM 129 H THR A 28 -0.009 20.847 9.113 1.00 0.00 H ATOM 130 N PHE A 29 1.812 21.862 5.555 1.00 40.98 N ATOM 131 CA PHE A 29 3.134 21.610 4.977 1.00 42.20 C ATOM 132 C PHE A 29 3.578 22.801 4.144 1.00 44.18 C ATOM 133 O PHE A 29 2.828 23.309 3.319 1.00 45.40 O ATOM 134 CB PHE A 29 3.143 20.319 4.146 1.00 40.49 C ATOM 135 CG PHE A 29 2.902 19.066 4.965 1.00 40.18 C ATOM 136 CD1 PHE A 29 3.948 18.188 5.265 1.00 40.89 C ATOM 137 CD2 PHE A 29 1.633 18.756 5.442 1.00 40.57 C ATOM 138 CE1 PHE A 29 3.724 17.045 6.012 1.00 40.12 C ATOM 139 CE2 PHE A 29 1.402 17.593 6.177 1.00 41.12 C ATOM 140 CZ PHE A 29 2.443 16.738 6.462 1.00 40.39 C ATOM 141 H PHE A 29 1.034 22.165 4.935 1.00 0.00 H ATOM 142 N ILE A 30 4.793 23.263 4.410 1.00 46.05 N ATOM 143 CA ILE A 30 5.386 24.369 3.700 1.00 47.57 C ATOM 144 C ILE A 30 6.344 23.745 2.708 1.00 46.02 C ATOM 145 O ILE A 30 7.224 22.994 3.111 1.00 47.00 O ATOM 146 CB ILE A 30 6.087 25.326 4.681 1.00 51.29 C ATOM 147 CG1 ILE A 30 5.015 26.033 5.528 1.00 53.86 C ATOM 148 CG2 ILE A 30 6.920 26.351 3.928 1.00 52.52 C ATOM 149 CD1 ILE A 30 5.567 26.708 6.762 1.00 57.54 C ATOM 150 H ILE A 30 5.343 22.806 5.165 1.00 0.00 H ATOM 151 N VAL A 31 6.128 23.993 1.419 1.00 45.59 N ATOM 152 CA VAL A 31 6.888 23.310 0.355 1.00 45.15 C ATOM 153 C VAL A 31 7.498 24.316 -0.604 1.00 46.88 C ATOM 154 O VAL A 31 6.811 25.222 -1.062 1.00 47.17 O ATOM 155 CB VAL A 31 5.993 22.372 -0.478 1.00 44.63 C ATOM 156 CG1 VAL A 31 6.816 21.662 -1.563 1.00 44.63 C ATOM 157 CG2 VAL A 31 5.272 21.364 0.413 1.00 43.69 C ATOM 158 H VAL A 31 5.402 24.689 1.154 1.00 0.00 H ATOM 159 N THR A 32 8.778 24.131 -0.929 1.00 47.02 N ATOM 160 CA THR A 32 9.433 24.896 -1.980 1.00 48.01 C ATOM 161 C THR A 32 9.866 23.911 -3.057 1.00 46.55 C ATOM 162 O THR A 32 10.560 22.935 -2.774 1.00 45.32 O ATOM 163 CB THR A 32 10.632 25.703 -1.443 1.00 50.91 C ATOM 164 OG1 THR A 32 10.160 26.637 -0.464 1.00 52.38 O ATOM 165 CG2 THR A 32 11.323 26.485 -2.572 1.00 52.67 C ATOM 166 HG1 THR A 32 10.924 27.160 -0.113 1.00 0.00 H ATOM 167 H THR A 32 9.328 23.415 -0.413 1.00 0.00 H ATOM 168 N ALA A 33 9.394 24.159 -4.277 1.00 46.18 N ATOM 169 CA ALA A 33 9.776 23.405 -5.455 1.00 45.95 C ATOM 170 C ALA A 33 10.915 24.122 -6.185 1.00 47.86 C ATOM 171 O ALA A 33 10.704 25.200 -6.767 1.00 49.22 O ATOM 172 CB ALA A 33 8.575 23.235 -6.368 1.00 45.52 C ATOM 173 H ALA A 33 8.713 24.937 -4.391 1.00 0.00 H ATOM 174 N GLY A 34 12.116 23.546 -6.134 1.00 48.14 N ATOM 175 CA GLY A 34 13.289 24.101 -6.828 1.00 51.33 C ATOM 176 C GLY A 34 13.238 23.827 -8.321 1.00 52.64 C ATOM 177 O GLY A 34 12.685 22.818 -8.746 1.00 51.37 O ATOM 178 H GLY A 34 12.228 22.671 -5.583 1.00 0.00 H ATOM 179 N ALA A 35 13.847 24.705 -9.121 1.00 56.62 N ATOM 180 CA ALA A 35 13.890 24.537 -10.588 1.00 58.90 C ATOM 181 C ALA A 35 14.514 23.205 -11.009 1.00 60.08 C ATOM 182 O ALA A 35 14.157 22.659 -12.051 1.00 63.57 O ATOM 183 CB ALA A 35 14.631 25.703 -11.245 1.00 61.90 C ATOM 184 H ALA A 35 14.307 25.536 -8.697 1.00 0.00 H ATOM 185 N ASP A 36 15.417 22.690 -10.173 1.00 59.71 N ATOM 186 CA ASP A 36 16.137 21.426 -10.394 1.00 58.77 C ATOM 187 C ASP A 36 15.386 20.116 -10.020 1.00 54.69 C ATOM 188 O ASP A 36 15.943 19.032 -10.152 1.00 53.04 O ATOM 189 CB ASP A 36 17.453 21.472 -9.592 1.00 61.08 C ATOM 190 CG ASP A 36 17.228 21.600 -8.059 1.00 62.83 C ATOM 191 OD1 ASP A 36 16.078 21.848 -7.610 1.00 60.19 O ATOM 192 OD2 ASP A 36 18.222 21.471 -7.307 1.00 65.01 O ATOM 193 H ASP A 36 15.627 23.220 -9.303 1.00 0.00 H ATOM 194 N GLY A 37 14.159 20.222 -9.529 1.00 52.03 N ATOM 195 CA GLY A 37 13.390 19.055 -9.091 1.00 48.56 C ATOM 196 C GLY A 37 13.376 18.824 -7.590 1.00 47.29 C ATOM 197 O GLY A 37 12.787 17.848 -7.141 1.00 43.89 O ATOM 198 H GLY A 37 13.728 21.165 -9.452 1.00 0.00 H ATOM 199 N ALA A 38 13.992 19.709 -6.801 1.00 47.38 N ATOM 200 CA ALA A 38 14.022 19.529 -5.345 1.00 46.12 C ATOM 201 C ALA A 38 12.734 19.998 -4.683 1.00 44.53 C ATOM 202 O ALA A 38 12.212 21.052 -5.015 1.00 45.47 O ATOM 203 CB ALA A 38 15.194 20.264 -4.738 1.00 48.12 C ATOM 204 H ALA A 38 14.457 20.537 -7.225 1.00 0.00 H ATOM 205 N LEU A 39 12.225 19.192 -3.760 1.00 41.07 N ATOM 206 CA LEU A 39 11.218 19.631 -2.805 1.00 40.35 C ATOM 207 C LEU A 39 11.909 19.762 -1.455 1.00 41.15 C ATOM 208 O LEU A 39 12.640 18.849 -1.037 1.00 40.24 O ATOM 209 CB LEU A 39 10.064 18.648 -2.688 1.00 37.89 C ATOM 210 CG LEU A 39 9.239 18.396 -3.936 1.00 37.28 C ATOM 211 CD1 LEU A 39 8.126 17.435 -3.573 1.00 36.11 C ATOM 212 CD2 LEU A 39 8.663 19.692 -4.492 1.00 37.86 C ATOM 213 H LEU A 39 12.559 18.208 -3.717 1.00 0.00 H ATOM 214 N THR A 40 11.730 20.919 -0.820 1.00 42.00 N ATOM 215 CA THR A 40 12.240 21.156 0.527 1.00 43.13 C ATOM 216 C THR A 40 11.171 21.893 1.296 1.00 43.87 C ATOM 217 O THR A 40 10.327 22.567 0.699 1.00 46.34 O ATOM 218 CB THR A 40 13.520 22.031 0.527 1.00 44.86 C ATOM 219 OG1 THR A 40 13.240 23.288 -0.090 1.00 46.33 O ATOM 220 CG2 THR A 40 14.639 21.367 -0.238 1.00 45.10 C ATOM 221 HG1 THR A 40 12.943 23.138 -1.022 1.00 0.00 H ATOM 222 H THR A 40 11.209 21.680 -1.301 1.00 0.00 H ATOM 223 N GLY A 41 11.221 21.786 2.616 1.00 43.01 N ATOM 224 CA GLY A 41 10.333 22.567 3.463 1.00 44.01 C ATOM 225 C GLY A 41 10.101 21.919 4.802 1.00 42.70 C ATOM 226 O GLY A 41 10.982 21.236 5.321 1.00 42.00 O ATOM 227 H GLY A 41 11.904 21.135 3.052 1.00 0.00 H ATOM 228 N THR A 42 8.920 22.142 5.367 1.00 42.87 N ATOM 229 CA THR A 42 8.619 21.647 6.701 1.00 43.12 C ATOM 230 C THR A 42 7.167 21.207 6.882 1.00 43.53 C ATOM 231 O THR A 42 6.262 21.720 6.200 1.00 41.15 O ATOM 232 CB THR A 42 8.903 22.719 7.784 1.00 45.67 C ATOM 233 OG1 THR A 42 8.195 23.920 7.478 1.00 46.13 O ATOM 234 CG2 THR A 42 10.385 23.045 7.890 1.00 47.31 C ATOM 235 HG1 THR A 42 8.382 24.598 8.174 1.00 0.00 H ATOM 236 H THR A 42 8.198 22.680 4.847 1.00 0.00 H ATOM 237 N TYR A 43 6.982 20.274 7.822 1.00 42.20 N ATOM 238 CA TYR A 43 5.723 20.143 8.569 1.00 43.58 C ATOM 239 C TYR A 43 5.729 21.188 9.678 1.00 46.70 C ATOM 240 O TYR A 43 6.727 21.322 10.399 1.00 47.51 O ATOM 241 CB TYR A 43 5.536 18.764 9.211 1.00 43.14 C ATOM 242 CG TYR A 43 4.341 18.711 10.145 1.00 44.02 C ATOM 243 CD1 TYR A 43 3.043 18.560 9.649 1.00 43.93 C ATOM 244 CD2 TYR A 43 4.492 18.846 11.527 1.00 46.15 C ATOM 245 CE1 TYR A 43 1.939 18.563 10.504 1.00 45.00 C ATOM 246 CE2 TYR A 43 3.393 18.827 12.377 1.00 47.48 C ATOM 247 CZ TYR A 43 2.117 18.677 11.850 1.00 45.81 C ATOM 248 OH TYR A 43 1.007 18.643 12.663 1.00 48.93 O ATOM 249 HH TYR A 43 0.946 19.490 13.171 1.00 0.00 H ATOM 250 H TYR A 43 7.759 19.616 8.033 1.00 0.00 H ATOM 251 N GLU A 44 4.615 21.921 9.798 1.00 47.90 N ATOM 252 CA GLU A 44 4.348 22.824 10.915 1.00 49.71 C ATOM 253 C GLU A 44 3.083 22.397 11.649 1.00 49.60 C ATOM 254 O GLU A 44 2.115 21.981 11.016 1.00 47.01 O ATOM 255 CB GLU A 44 4.109 24.253 10.415 1.00 51.55 C ATOM 256 CG GLU A 44 5.258 24.870 9.645 1.00 51.80 C ATOM 257 CD GLU A 44 6.494 25.146 10.493 1.00 53.07 C ATOM 258 OE1 GLU A 44 6.380 25.417 11.720 1.00 54.82 O ATOM 259 OE2 GLU A 44 7.596 25.106 9.904 1.00 52.38 O ATOM 260 H GLU A 44 3.896 21.843 9.051 1.00 0.00 H ATOM 261 N SER A 45 3.062 22.577 12.971 1.00 50.17 N ATOM 262 CA SER A 45 1.819 22.443 13.742 1.00 50.87 C ATOM 263 C SER A 45 0.919 23.645 13.478 1.00 52.18 C ATOM 264 O SER A 45 1.368 24.637 12.894 1.00 50.65 O ATOM 265 CB SER A 45 2.103 22.347 15.239 1.00 53.02 C ATOM 266 OG SER A 45 2.432 23.612 15.785 1.00 54.41 O ATOM 267 HG SER A 45 2.610 23.516 16.754 1.00 0.00 H ATOM 268 H SER A 45 3.945 22.817 13.466 1.00 0.00 H ATOM 269 N ALA A 46 -0.326 23.566 13.954 1.00 53.97 N ATOM 270 CA ALA A 46 -1.277 24.682 13.852 1.00 56.58 C ATOM 271 C ALA A 46 -0.755 25.966 14.515 1.00 59.96 C ATOM 272 O ALA A 46 -1.081 27.063 14.061 1.00 61.88 O ATOM 273 CB ALA A 46 -2.628 24.295 14.443 1.00 57.22 C ATOM 274 H ALA A 46 -0.633 22.685 14.413 1.00 0.00 H ATOM 275 N VAL A 47 0.049 25.823 15.577 1.00 61.80 N ATOM 276 CA VAL A 47 0.690 26.960 16.268 1.00 64.59 C ATOM 277 C VAL A 47 1.980 27.441 15.567 1.00 64.25 C ATOM 278 O VAL A 47 2.376 28.596 15.739 1.00 66.08 O ATOM 279 CB VAL A 47 1.005 26.609 17.757 1.00 67.07 C ATOM 280 CG1 VAL A 47 1.665 27.778 18.487 1.00 70.54 C ATOM 281 CG2 VAL A 47 -0.264 26.178 18.487 1.00 67.99 C ATOM 282 H VAL A 47 0.231 24.863 15.933 1.00 0.00 H ATOM 283 N GLY A 48 2.632 26.569 14.794 1.00 61.43 N ATOM 284 CA GLY A 48 3.938 26.873 14.204 1.00 61.48 C ATOM 285 C GLY A 48 5.053 26.882 15.248 1.00 64.11 C ATOM 286 O GLY A 48 6.032 27.627 15.116 1.00 65.07 O ATOM 287 H GLY A 48 2.198 25.643 14.604 1.00 0.00 H ATOM 288 N ASN A 49 4.904 26.066 16.296 1.00 64.36 N ATOM 289 CA ASN A 49 5.895 26.025 17.384 1.00 65.02 C ATOM 290 C ASN A 49 7.082 25.139 16.976 1.00 63.53 C ATOM 291 O ASN A 49 6.921 24.181 16.204 1.00 59.60 O ATOM 292 CB ASN A 49 5.257 25.606 18.730 1.00 66.48 C ATOM 293 CG ASN A 49 4.767 24.162 18.754 1.00 64.71 C ATOM 294 OD1 ASN A 49 4.060 23.698 17.851 1.00 61.31 O ATOM 295 ND2 ASN A 49 5.124 23.451 19.814 1.00 65.60 N ATOM 296 HD22 ASN A 49 5.720 23.879 20.551 1.00 0.00 H ATOM 297 HD21 ASN A 49 4.808 22.465 19.909 1.00 0.00 H ATOM 298 H ASN A 49 4.070 25.447 16.344 1.00 0.00 H ATOM 299 N ALA A 50 8.267 25.493 17.476 1.00 64.56 N ATOM 300 CA ALA A 50 9.533 24.838 17.094 1.00 63.63 C ATOM 301 C ALA A 50 9.591 23.350 17.431 1.00 61.80 C ATOM 302 O ALA A 50 10.173 22.568 16.672 1.00 62.22 O ATOM 303 CB ALA A 50 10.713 25.563 17.734 1.00 66.59 C ATOM 304 H ALA A 50 8.300 26.268 18.169 1.00 0.00 H ATOM 305 N GLU A 51 8.951 22.959 18.530 1.00 62.43 N ATOM 306 CA GLU A 51 8.970 21.564 18.986 1.00 61.80 C ATOM 307 C GLU A 51 8.194 20.610 18.070 1.00 58.87 C ATOM 308 O GLU A 51 8.458 19.403 18.080 1.00 58.17 O ATOM 309 CB GLU A 51 8.443 21.439 20.426 1.00 64.07 C ATOM 310 CG GLU A 51 9.240 22.222 21.469 1.00 67.52 C ATOM 311 CD GLU A 51 8.616 23.559 21.844 1.00 69.64 C ATOM 312 OE1 GLU A 51 7.933 24.181 21.004 1.00 70.40 O ATOM 313 OE2 GLU A 51 8.811 23.995 22.986 1.00 72.67 O ATOM 314 H GLU A 51 8.421 23.663 19.083 1.00 0.00 H ATOM 315 N SER A 52 7.247 21.146 17.290 1.00 58.02 N ATOM 316 CA SER A 52 6.442 20.353 16.349 1.00 54.16 C ATOM 317 C SER A 52 6.783 20.596 14.867 1.00 52.66 C ATOM 318 O SER A 52 6.012 20.223 13.974 1.00 48.85 O ATOM 319 CB SER A 52 4.962 20.622 16.586 1.00 54.80 C ATOM 320 OG SER A 52 4.567 20.112 17.843 1.00 57.12 O ATOM 321 HG SER A 52 4.727 19.135 17.866 1.00 0.00 H ATOM 322 H SER A 52 7.073 22.169 17.352 1.00 0.00 H ATOM 323 N ARG A 53 7.945 21.194 14.615 1.00 53.41 N ATOM 324 CA ARG A 53 8.414 21.463 13.254 1.00 51.91 C ATOM 325 C ARG A 53 9.351 20.354 12.822 1.00 49.44 C ATOM 326 O ARG A 53 10.318 20.054 13.532 1.00 50.56 O ATOM 327 CB ARG A 53 9.153 22.811 13.205 1.00 54.24 C ATOM 328 CG ARG A 53 9.785 23.153 11.857 1.00 54.78 C ATOM 329 CD ARG A 53 10.337 24.573 11.816 1.00 57.62 C ATOM 330 NE ARG A 53 9.299 25.569 12.095 1.00 59.78 N ATOM 331 CZ ARG A 53 9.208 26.337 13.189 1.00 62.93 C ATOM 332 NH1 ARG A 53 10.122 26.323 14.160 1.00 65.33 N ATOM 333 NH2 ARG A 53 8.185 27.180 13.293 1.00 64.98 N ATOM 334 HE ARG A 53 8.561 25.692 11.373 1.00 0.00 H ATOM 335 HH12 ARG A 53 10.007 26.938 14.991 1.00 0.00 H ATOM 336 HH11 ARG A 53 10.949 25.697 14.086 1.00 0.00 H ATOM 337 HH22 ARG A 53 8.094 27.786 14.133 1.00 0.00 H ATOM 338 HH21 ARG A 53 7.476 27.233 12.534 1.00 0.00 H ATOM 339 H ARG A 53 8.543 21.481 15.416 1.00 0.00 H ATOM 340 N TYR A 54 9.086 19.749 11.662 1.00 46.84 N ATOM 341 CA TYR A 54 9.978 18.732 11.123 1.00 44.93 C ATOM 342 C TYR A 54 10.333 19.011 9.669 1.00 43.29 C ATOM 343 O TYR A 54 9.495 19.465 8.892 1.00 43.39 O ATOM 344 CB TYR A 54 9.354 17.336 11.242 1.00 44.05 C ATOM 345 CG TYR A 54 8.978 16.951 12.661 1.00 45.43 C ATOM 346 CD1 TYR A 54 9.802 16.122 13.437 1.00 46.88 C ATOM 347 CD2 TYR A 54 7.787 17.408 13.229 1.00 46.54 C ATOM 348 CE1 TYR A 54 9.451 15.776 14.740 1.00 47.58 C ATOM 349 CE2 TYR A 54 7.432 17.064 14.525 1.00 47.63 C ATOM 350 CZ TYR A 54 8.255 16.244 15.274 1.00 48.15 C ATOM 351 OH TYR A 54 7.876 15.920 16.564 1.00 48.96 O ATOM 352 HH TYR A 54 7.005 15.450 16.543 1.00 0.00 H ATOM 353 H TYR A 54 8.228 20.008 11.134 1.00 0.00 H ATOM 354 N VAL A 55 11.565 18.678 9.297 1.00 42.46 N ATOM 355 CA VAL A 55 12.053 18.875 7.935 1.00 41.99 C ATOM 356 C VAL A 55 11.395 17.893 6.965 1.00 40.54 C ATOM 357 O VAL A 55 11.203 16.711 7.304 1.00 38.29 O ATOM 358 CB VAL A 55 13.596 18.735 7.888 1.00 43.64 C ATOM 359 CG1 VAL A 55 14.140 18.718 6.467 1.00 43.69 C ATOM 360 CG2 VAL A 55 14.240 19.879 8.658 1.00 46.02 C ATOM 361 H VAL A 55 12.205 18.261 10.003 1.00 0.00 H ATOM 362 N LEU A 56 11.049 18.384 5.767 1.00 40.60 N ATOM 363 CA LEU A 56 10.707 17.525 4.642 1.00 39.51 C ATOM 364 C LEU A 56 11.654 17.735 3.482 1.00 39.24 C ATOM 365 O LEU A 56 12.085 18.867 3.214 1.00 39.56 O ATOM 366 CB LEU A 56 9.255 17.711 4.148 1.00 40.64 C ATOM 367 CG LEU A 56 8.843 18.892 3.256 1.00 42.66 C ATOM 368 CD1 LEU A 56 9.055 18.649 1.759 1.00 41.38 C ATOM 369 CD2 LEU A 56 7.374 19.231 3.527 1.00 44.17 C ATOM 370 H LEU A 56 11.024 19.415 5.636 1.00 0.00 H ATOM 371 N THR A 57 11.958 16.639 2.788 1.00 38.29 N ATOM 372 CA THR A 57 12.676 16.710 1.528 1.00 39.23 C ATOM 373 C THR A 57 12.133 15.683 0.547 1.00 37.55 C ATOM 374 O THR A 57 11.699 14.578 0.942 1.00 36.45 O ATOM 375 CB THR A 57 14.200 16.570 1.705 1.00 41.56 C ATOM 376 OG1 THR A 57 14.857 16.905 0.475 1.00 43.48 O ATOM 377 CG2 THR A 57 14.591 15.185 2.097 1.00 41.26 C ATOM 378 HG1 THR A 57 14.637 17.838 0.228 1.00 0.00 H ATOM 379 H THR A 57 11.674 15.709 3.158 1.00 0.00 H ATOM 380 N GLY A 58 12.153 16.049 -0.726 1.00 36.73 N ATOM 381 CA GLY A 58 11.670 15.167 -1.772 1.00 35.45 C ATOM 382 C GLY A 58 12.075 15.637 -3.152 1.00 36.54 C ATOM 383 O GLY A 58 12.987 16.447 -3.302 1.00 37.83 O ATOM 384 H GLY A 58 12.522 16.987 -0.981 1.00 0.00 H ATOM 385 N ARG A 59 11.389 15.099 -4.147 1.00 35.47 N ATOM 386 CA ARG A 59 11.695 15.318 -5.553 1.00 36.49 C ATOM 387 C ARG A 59 10.382 15.425 -6.288 1.00 35.77 C ATOM 388 O ARG A 59 9.379 14.841 -5.870 1.00 34.68 O ATOM 389 CB ARG A 59 12.489 14.146 -6.152 1.00 36.06 C ATOM 390 CG ARG A 59 13.836 13.841 -5.506 1.00 37.42 C ATOM 391 CD ARG A 59 14.850 14.945 -5.726 1.00 38.44 C ATOM 392 NE ARG A 59 15.141 15.134 -7.140 1.00 39.60 N ATOM 393 CZ ARG A 59 15.799 16.172 -7.647 1.00 41.63 C ATOM 394 NH1 ARG A 59 16.259 17.149 -6.862 1.00 42.16 N ATOM 395 NH2 ARG A 59 16.002 16.235 -8.963 1.00 43.90 N ATOM 396 HE ARG A 59 14.810 14.403 -7.802 1.00 0.00 H ATOM 397 HH12 ARG A 59 16.771 17.953 -7.278 1.00 0.00 H ATOM 398 HH11 ARG A 59 16.105 17.106 -5.834 1.00 0.00 H ATOM 399 HH22 ARG A 59 16.515 17.042 -9.372 1.00 0.00 H ATOM 400 HH21 ARG A 59 15.647 15.477 -9.581 1.00 0.00 H ATOM 401 H ARG A 59 10.584 14.484 -3.911 1.00 0.00 H ATOM 402 N TYR A 60 10.381 16.189 -7.374 1.00 37.15 N ATOM 403 CA TYR A 60 9.241 16.244 -8.269 1.00 37.36 C ATOM 404 C TYR A 60 9.760 16.327 -9.698 1.00 39.20 C ATOM 405 O TYR A 60 10.910 16.686 -9.926 1.00 40.51 O ATOM 406 CB TYR A 60 8.338 17.441 -7.933 1.00 38.15 C ATOM 407 CG TYR A 60 8.879 18.775 -8.380 1.00 39.67 C ATOM 408 CD1 TYR A 60 9.966 19.368 -7.722 1.00 41.05 C ATOM 409 CD2 TYR A 60 8.309 19.452 -9.453 1.00 41.56 C ATOM 410 CE1 TYR A 60 10.467 20.595 -8.124 1.00 43.94 C ATOM 411 CE2 TYR A 60 8.806 20.674 -9.863 1.00 43.99 C ATOM 412 CZ TYR A 60 9.881 21.245 -9.206 1.00 45.13 C ATOM 413 OH TYR A 60 10.358 22.459 -9.651 1.00 47.69 O ATOM 414 HH TYR A 60 11.122 22.739 -9.087 1.00 0.00 H ATOM 415 H TYR A 60 11.221 16.764 -7.589 1.00 0.00 H ATOM 416 N ASP A 61 8.887 15.990 -10.635 1.00 39.13 N ATOM 417 CA ASP A 61 9.145 16.111 -12.056 1.00 40.61 C ATOM 418 C ASP A 61 9.069 17.600 -12.451 1.00 42.49 C ATOM 419 O ASP A 61 7.982 18.188 -12.463 1.00 42.78 O ATOM 420 CB ASP A 61 8.097 15.299 -12.817 1.00 40.15 C ATOM 421 CG ASP A 61 8.259 15.373 -14.335 1.00 42.62 C ATOM 422 OD1 ASP A 61 9.212 15.988 -14.841 1.00 44.49 O ATOM 423 OD2 ASP A 61 7.405 14.791 -15.015 1.00 43.03 O ATOM 424 H ASP A 61 7.964 15.617 -10.334 1.00 0.00 H ATOM 425 N SER A 62 10.215 18.195 -12.763 1.00 44.77 N ATOM 426 CA SER A 62 10.285 19.632 -13.071 1.00 46.77 C ATOM 427 C SER A 62 9.944 19.954 -14.524 1.00 48.46 C ATOM 428 O SER A 62 9.961 21.129 -14.910 1.00 49.72 O ATOM 429 CB SER A 62 11.670 20.181 -12.738 1.00 48.73 C ATOM 430 OG SER A 62 12.675 19.459 -13.431 1.00 49.45 O ATOM 431 HG SER A 62 12.524 19.539 -14.406 1.00 0.00 H ATOM 432 H SER A 62 11.087 17.629 -12.790 1.00 0.00 H ATOM 433 N ALA A 63 9.638 18.934 -15.327 1.00 47.89 N ATOM 434 CA ALA A 63 9.140 19.135 -16.688 1.00 50.28 C ATOM 435 C ALA A 63 8.062 18.095 -16.990 1.00 49.12 C ATOM 436 O ALA A 63 8.287 17.180 -17.760 1.00 49.58 O ATOM 437 CB ALA A 63 10.280 19.050 -17.693 1.00 51.08 C ATOM 438 H ALA A 63 9.757 17.963 -14.974 1.00 0.00 H ATOM 439 N PRO A 64 6.876 18.240 -16.377 1.00 49.48 N ATOM 440 CA PRO A 64 5.796 17.252 -16.568 1.00 48.87 C ATOM 441 C PRO A 64 5.279 17.231 -18.001 1.00 51.07 C ATOM 442 O PRO A 64 5.571 18.141 -18.764 1.00 51.09 O ATOM 443 CB PRO A 64 4.703 17.734 -15.608 1.00 48.24 C ATOM 444 CG PRO A 64 4.948 19.191 -15.465 1.00 49.29 C ATOM 445 CD PRO A 64 6.430 19.394 -15.576 1.00 49.56 C ATOM 446 N ALA A 65 4.524 16.190 -18.349 1.00 51.00 N ATOM 447 CA ALA A 65 3.970 16.054 -19.698 1.00 53.46 C ATOM 448 C ALA A 65 2.942 17.156 -19.943 1.00 54.69 C ATOM 449 O ALA A 65 2.333 17.657 -19.014 1.00 53.93 O ATOM 450 CB ALA A 65 3.354 14.669 -19.880 1.00 52.53 C ATOM 451 H ALA A 65 4.322 15.453 -17.643 1.00 0.00 H ATOM 452 N THR A 66 2.782 17.559 -21.200 1.00 58.55 N ATOM 453 CA THR A 66 1.881 18.658 -21.560 1.00 60.10 C ATOM 454 C THR A 66 0.609 18.121 -22.205 1.00 60.85 C ATOM 455 O THR A 66 0.104 18.667 -23.181 1.00 63.15 O ATOM 456 CB THR A 66 2.591 19.623 -22.517 1.00 63.04 C ATOM 457 OG1 THR A 66 3.111 18.873 -23.623 1.00 63.68 O ATOM 458 CG2 THR A 66 3.730 20.335 -21.781 1.00 62.61 C ATOM 459 HG1 THR A 66 2.366 18.420 -24.092 1.00 0.00 H ATOM 460 H THR A 66 3.314 17.078 -21.953 1.00 0.00 H ATOM 461 N ASP A 67 0.094 17.046 -21.624 1.00 59.27 N ATOM 462 CA ASP A 67 -1.111 16.384 -22.094 1.00 59.60 C ATOM 463 C ASP A 67 -2.158 16.435 -20.976 1.00 58.08 C ATOM 464 O ASP A 67 -3.037 15.591 -20.910 1.00 59.44 O ATOM 465 CB ASP A 67 -0.788 14.935 -22.523 1.00 58.87 C ATOM 466 CG ASP A 67 -0.152 14.102 -21.404 1.00 56.55 C ATOM 467 OD1 ASP A 67 0.020 14.614 -20.277 1.00 52.88 O ATOM 468 OD2 ASP A 67 0.183 12.929 -21.666 1.00 57.47 O ATOM 469 H ASP A 67 0.577 16.657 -20.789 1.00 0.00 H ATOM 470 N GLY A 68 -2.041 17.416 -20.083 1.00 56.50 N ATOM 471 CA GLY A 68 -2.921 17.526 -18.929 1.00 54.46 C ATOM 472 C GLY A 68 -2.693 16.488 -17.844 1.00 50.87 C ATOM 473 O GLY A 68 -3.546 16.301 -16.982 1.00 50.92 O ATOM 474 H GLY A 68 -1.295 18.128 -20.215 1.00 0.00 H ATOM 475 N SER A 69 -1.558 15.799 -17.877 1.00 49.95 N ATOM 476 CA SER A 69 -1.205 14.885 -16.788 1.00 45.69 C ATOM 477 C SER A 69 -0.742 15.684 -15.581 1.00 43.38 C ATOM 478 O SER A 69 -0.174 16.778 -15.713 1.00 42.77 O ATOM 479 CB SER A 69 -0.097 13.912 -17.208 1.00 47.15 C ATOM 480 OG SER A 69 -0.545 12.989 -18.191 1.00 49.24 O ATOM 481 HG SER A 69 -0.844 13.484 -18.995 1.00 0.00 H ATOM 482 H SER A 69 -0.913 15.910 -18.685 1.00 0.00 H ATOM 483 N GLY A 70 -0.976 15.132 -14.395 1.00 39.76 N ATOM 484 CA GLY A 70 -0.391 15.690 -13.181 1.00 38.95 C ATOM 485 C GLY A 70 1.128 15.565 -13.140 1.00 38.21 C ATOM 486 O GLY A 70 1.758 14.921 -13.998 1.00 38.75 O ATOM 487 H GLY A 70 -1.584 14.291 -14.332 1.00 0.00 H ATOM 488 N THR A 71 1.709 16.189 -12.125 1.00 37.47 N ATOM 489 CA THR A 71 3.144 16.246 -11.919 1.00 37.47 C ATOM 490 C THR A 71 3.534 15.303 -10.795 1.00 36.19 C ATOM 491 O THR A 71 3.198 15.548 -9.626 1.00 35.16 O ATOM 492 CB THR A 71 3.565 17.665 -11.513 1.00 38.84 C ATOM 493 OG1 THR A 71 3.147 18.605 -12.518 1.00 41.38 O ATOM 494 CG2 THR A 71 5.053 17.762 -11.325 1.00 40.05 C ATOM 495 HG1 THR A 71 3.422 19.517 -12.249 1.00 0.00 H ATOM 496 H THR A 71 1.098 16.668 -11.433 1.00 0.00 H ATOM 497 N ALA A 72 4.262 14.246 -11.141 1.00 36.19 N ATOM 498 CA ALA A 72 4.654 13.236 -10.156 1.00 33.62 C ATOM 499 C ALA A 72 5.642 13.781 -9.160 1.00 34.05 C ATOM 500 O ALA A 72 6.494 14.592 -9.491 1.00 34.39 O ATOM 501 CB ALA A 72 5.236 12.008 -10.842 1.00 35.17 C ATOM 502 H ALA A 72 4.559 14.134 -12.131 1.00 0.00 H ATOM 503 N LEU A 73 5.512 13.331 -7.914 1.00 31.62 N ATOM 504 CA LEU A 73 6.354 13.831 -6.852 1.00 32.67 C ATOM 505 C LEU A 73 6.367 12.850 -5.692 1.00 30.57 C ATOM 506 O LEU A 73 5.545 11.933 -5.642 1.00 30.27 O ATOM 507 CB LEU A 73 5.914 15.221 -6.387 1.00 33.40 C ATOM 508 CG LEU A 73 4.431 15.455 -6.061 1.00 33.40 C ATOM 509 CD1 LEU A 73 3.975 14.717 -4.816 1.00 32.97 C ATOM 510 CD2 LEU A 73 4.143 16.953 -5.938 1.00 35.32 C ATOM 511 H LEU A 73 4.794 12.609 -7.702 1.00 0.00 H ATOM 512 N GLY A 74 7.302 13.085 -4.784 1.00 31.07 N ATOM 513 CA GLY A 74 7.324 12.424 -3.488 1.00 30.11 C ATOM 514 C GLY A 74 8.144 13.200 -2.484 1.00 31.04 C ATOM 515 O GLY A 74 8.982 14.012 -2.848 1.00 30.94 O ATOM 516 H GLY A 74 8.052 13.771 -5.007 1.00 0.00 H ATOM 517 N TRP A 75 7.874 12.984 -1.202 1.00 29.81 N ATOM 518 CA TRP A 75 8.700 13.565 -0.169 1.00 31.25 C ATOM 519 C TRP A 75 8.620 12.728 1.072 1.00 29.58 C ATOM 520 O TRP A 75 7.769 11.870 1.206 1.00 29.62 O ATOM 521 CB TRP A 75 8.328 15.011 0.119 1.00 31.98 C ATOM 522 CG TRP A 75 7.025 15.241 0.833 1.00 32.89 C ATOM 523 CD1 TRP A 75 6.816 15.211 2.169 1.00 34.16 C ATOM 524 CD2 TRP A 75 5.773 15.559 0.238 1.00 33.11 C ATOM 525 NE1 TRP A 75 5.510 15.487 2.455 1.00 33.99 N ATOM 526 CE2 TRP A 75 4.840 15.699 1.284 1.00 33.28 C ATOM 527 CE3 TRP A 75 5.343 15.726 -1.075 1.00 33.99 C ATOM 528 CZ2 TRP A 75 3.496 16.018 1.062 1.00 35.82 C ATOM 529 CZ3 TRP A 75 4.007 16.049 -1.302 1.00 35.87 C ATOM 530 CH2 TRP A 75 3.096 16.207 -0.224 1.00 35.52 C ATOM 531 HE1 TRP A 75 5.094 15.529 3.407 1.00 0.00 H ATOM 532 H TRP A 75 7.061 12.391 -0.939 1.00 0.00 H ATOM 533 N THR A 76 9.578 12.958 1.939 1.00 31.20 N ATOM 534 CA THR A 76 9.711 12.236 3.180 1.00 30.92 C ATOM 535 C THR A 76 9.830 13.239 4.322 1.00 32.37 C ATOM 536 O THR A 76 10.481 14.291 4.179 1.00 33.24 O ATOM 537 CB THR A 76 10.996 11.385 3.162 1.00 31.18 C ATOM 538 OG1 THR A 76 10.973 10.486 2.043 1.00 30.21 O ATOM 539 CG2 THR A 76 11.116 10.562 4.429 1.00 31.45 C ATOM 540 HG1 THR A 76 10.915 11.007 1.203 1.00 0.00 H ATOM 541 H THR A 76 10.276 13.698 1.720 1.00 0.00 H ATOM 542 N VAL A 77 9.206 12.905 5.458 1.00 32.49 N ATOM 543 CA VAL A 77 9.510 13.525 6.743 1.00 34.32 C ATOM 544 C VAL A 77 9.975 12.421 7.704 1.00 34.83 C ATOM 545 O VAL A 77 9.256 11.458 7.899 1.00 35.46 O ATOM 546 CB VAL A 77 8.278 14.257 7.341 1.00 35.58 C ATOM 547 CG1 VAL A 77 8.583 14.778 8.739 1.00 37.44 C ATOM 548 CG2 VAL A 77 7.869 15.402 6.443 1.00 35.92 C ATOM 549 H VAL A 77 8.471 12.170 5.423 1.00 0.00 H ATOM 550 N ALA A 78 11.178 12.547 8.268 1.00 36.55 N ATOM 551 CA ALA A 78 11.579 11.738 9.422 1.00 36.37 C ATOM 552 C ALA A 78 11.159 12.520 10.667 1.00 38.33 C ATOM 553 O ALA A 78 11.458 13.731 10.798 1.00 39.68 O ATOM 554 CB ALA A 78 13.079 11.482 9.419 1.00 38.26 C ATOM 555 H ALA A 78 11.849 13.239 7.878 1.00 0.00 H ATOM 556 N TRP A 79 10.469 11.845 11.585 1.00 38.07 N ATOM 557 CA TRP A 79 9.796 12.519 12.701 1.00 40.01 C ATOM 558 C TRP A 79 10.723 12.709 13.890 1.00 42.41 C ATOM 559 O TRP A 79 10.430 12.291 15.011 1.00 43.96 O ATOM 560 CB TRP A 79 8.515 11.763 13.063 1.00 40.44 C ATOM 561 CG TRP A 79 7.547 11.819 11.947 1.00 38.07 C ATOM 562 CD1 TRP A 79 7.189 10.805 11.087 1.00 37.78 C ATOM 563 CD2 TRP A 79 6.844 12.972 11.520 1.00 39.59 C ATOM 564 NE1 TRP A 79 6.300 11.269 10.156 1.00 36.66 N ATOM 565 CE2 TRP A 79 6.059 12.596 10.405 1.00 38.23 C ATOM 566 CE3 TRP A 79 6.791 14.304 11.979 1.00 40.38 C ATOM 567 CZ2 TRP A 79 5.235 13.505 9.734 1.00 39.49 C ATOM 568 CZ3 TRP A 79 5.964 15.196 11.324 1.00 40.71 C ATOM 569 CH2 TRP A 79 5.202 14.800 10.211 1.00 39.49 C ATOM 570 HE1 TRP A 79 5.878 10.709 9.388 1.00 0.00 H ATOM 571 H TRP A 79 10.405 10.810 11.508 1.00 0.00 H ATOM 572 N LYS A 80 11.860 13.335 13.605 1.00 43.75 N ATOM 573 CA LYS A 80 12.819 13.781 14.601 1.00 46.40 C ATOM 574 C LYS A 80 13.132 15.255 14.354 1.00 48.13 C ATOM 575 O LYS A 80 13.321 15.692 13.209 1.00 47.39 O ATOM 576 CB LYS A 80 14.125 12.985 14.531 1.00 46.65 C ATOM 577 CG LYS A 80 15.165 13.423 15.581 1.00 49.98 C ATOM 578 CD LYS A 80 16.555 12.916 15.259 1.00 51.05 C ATOM 579 CE LYS A 80 17.501 13.156 16.431 1.00 54.53 C ATOM 580 NZ LYS A 80 17.752 14.597 16.669 1.00 56.54 N ATOM 581 HZ1 LYS A 80 18.179 15.018 15.819 1.00 0.00 H ATOM 582 HZ2 LYS A 80 16.852 15.074 16.879 1.00 0.00 H ATOM 583 HZ3 LYS A 80 18.400 14.706 17.475 1.00 0.00 H ATOM 584 H LYS A 80 12.077 13.517 12.604 1.00 0.00 H ATOM 585 N ASN A 81 13.214 15.995 15.452 1.00 51.25 N ATOM 586 CA ASN A 81 13.742 17.347 15.454 1.00 52.80 C ATOM 587 C ASN A 81 14.585 17.460 16.727 1.00 56.61 C ATOM 588 O ASN A 81 14.893 16.437 17.355 1.00 57.43 O ATOM 589 CB ASN A 81 12.586 18.363 15.356 1.00 52.10 C ATOM 590 CG ASN A 81 11.552 18.201 16.461 1.00 53.32 C ATOM 591 OD1 ASN A 81 11.865 17.709 17.549 1.00 54.64 O ATOM 592 ND2 ASN A 81 10.323 18.650 16.203 1.00 51.03 N ATOM 593 HD22 ASN A 81 10.103 19.057 15.272 1.00 0.00 H ATOM 594 HD21 ASN A 81 9.585 18.593 16.933 1.00 0.00 H ATOM 595 H ASN A 81 12.885 15.588 16.351 1.00 0.00 H ATOM 596 N ASN A 82 14.958 18.670 17.122 1.00 58.84 N ATOM 597 CA ASN A 82 15.808 18.843 18.317 1.00 61.93 C ATOM 598 C ASN A 82 15.051 18.628 19.631 1.00 63.02 C ATOM 599 O ASN A 82 15.668 18.553 20.709 1.00 62.89 O ATOM 600 CB ASN A 82 16.470 20.222 18.303 1.00 65.44 C ATOM 601 CG ASN A 82 17.408 20.421 17.116 1.00 66.01 C ATOM 602 OD1 ASN A 82 17.757 21.552 16.783 1.00 69.78 O ATOM 603 ND2 ASN A 82 17.827 19.330 16.480 1.00 64.90 N ATOM 604 HD22 ASN A 82 17.508 18.391 16.793 1.00 0.00 H ATOM 605 HD21 ASN A 82 18.473 19.416 15.670 1.00 0.00 H ATOM 606 H ASN A 82 14.649 19.505 16.585 1.00 0.00 H ATOM 607 N TYR A 83 13.727 18.514 19.545 1.00 60.50 N ATOM 608 CA TYR A 83 12.858 18.441 20.715 1.00 62.79 C ATOM 609 C TYR A 83 12.193 17.083 20.930 1.00 61.37 C ATOM 610 O TYR A 83 11.927 16.705 22.068 1.00 61.48 O ATOM 611 CB TYR A 83 11.793 19.516 20.563 1.00 63.59 C ATOM 612 CG TYR A 83 12.415 20.848 20.224 1.00 65.00 C ATOM 613 CD1 TYR A 83 12.545 21.273 18.886 1.00 62.98 C ATOM 614 CD2 TYR A 83 12.924 21.660 21.227 1.00 67.85 C ATOM 615 CE1 TYR A 83 13.131 22.494 18.580 1.00 64.22 C ATOM 616 CE2 TYR A 83 13.519 22.874 20.934 1.00 69.21 C ATOM 617 CZ TYR A 83 13.620 23.290 19.614 1.00 67.43 C ATOM 618 OH TYR A 83 14.211 24.501 19.337 1.00 68.84 O ATOM 619 HH TYR A 83 14.207 24.653 18.359 1.00 0.00 H ATOM 620 H TYR A 83 13.293 18.475 18.601 1.00 0.00 H ATOM 621 N ARG A 84 11.910 16.370 19.841 1.00 58.32 N ATOM 622 CA ARG A 84 11.144 15.129 19.883 1.00 57.36 C ATOM 623 C ARG A 84 11.688 14.151 18.866 1.00 54.15 C ATOM 624 O ARG A 84 12.239 14.553 17.839 1.00 53.50 O ATOM 625 CB ARG A 84 9.684 15.388 19.519 1.00 57.13 C ATOM 626 CG ARG A 84 8.975 16.348 20.435 1.00 60.92 C ATOM 627 CD ARG A 84 7.565 16.616 19.964 1.00 60.67 C ATOM 628 NE ARG A 84 6.926 17.569 20.872 1.00 62.98 N ATOM 629 CZ ARG A 84 5.741 18.145 20.665 1.00 63.61 C ATOM 630 NH1 ARG A 84 5.265 19.007 21.565 1.00 66.41 N ATOM 631 NH2 ARG A 84 5.030 17.869 19.578 1.00 61.46 N ATOM 632 HE ARG A 84 7.434 17.816 21.745 1.00 0.00 H ATOM 633 HH12 ARG A 84 4.342 19.461 21.413 1.00 0.00 H ATOM 634 HH11 ARG A 84 5.817 19.225 22.419 1.00 0.00 H ATOM 635 HH22 ARG A 84 4.108 18.326 19.430 1.00 0.00 H ATOM 636 HH21 ARG A 84 5.396 17.196 18.875 1.00 0.00 H ATOM 637 H ARG A 84 12.250 16.713 18.920 1.00 0.00 H ATOM 638 N ASN A 85 11.492 12.872 19.146 1.00 51.72 N ATOM 639 CA ASN A 85 11.799 11.831 18.187 1.00 49.03 C ATOM 640 C ASN A 85 10.819 10.670 18.324 1.00 47.70 C ATOM 641 O ASN A 85 10.870 9.923 19.289 1.00 48.94 O ATOM 642 CB ASN A 85 13.229 11.355 18.391 1.00 49.68 C ATOM 643 CG ASN A 85 13.746 10.559 17.221 1.00 47.61 C ATOM 644 OD1 ASN A 85 12.973 10.136 16.341 1.00 45.07 O ATOM 645 ND2 ASN A 85 15.062 10.366 17.185 1.00 48.21 N ATOM 646 HD22 ASN A 85 15.664 10.741 17.946 1.00 0.00 H ATOM 647 HD21 ASN A 85 15.489 9.841 16.396 1.00 0.00 H ATOM 648 H ASN A 85 11.109 12.609 20.076 1.00 0.00 H ATOM 649 N ALA A 86 9.949 10.524 17.335 1.00 45.32 N ATOM 650 CA ALA A 86 8.991 9.428 17.294 1.00 44.71 C ATOM 651 C ALA A 86 9.559 8.137 16.694 1.00 42.88 C ATOM 652 O ALA A 86 8.853 7.119 16.666 1.00 42.49 O ATOM 653 CB ALA A 86 7.772 9.850 16.515 1.00 43.44 C ATOM 654 H ALA A 86 9.950 11.217 16.560 1.00 0.00 H ATOM 655 N HIS A 87 10.791 8.199 16.177 1.00 41.48 N ATOM 656 CA HIS A 87 11.485 7.057 15.602 1.00 40.24 C ATOM 657 C HIS A 87 10.624 6.458 14.505 1.00 37.83 C ATOM 658 O HIS A 87 10.231 5.290 14.559 1.00 38.28 O ATOM 659 CB HIS A 87 11.817 6.006 16.666 1.00 40.94 C ATOM 660 CG HIS A 87 12.625 6.529 17.812 1.00 43.78 C ATOM 661 ND1 HIS A 87 13.831 7.176 17.644 1.00 43.68 N ATOM 662 CD2 HIS A 87 12.413 6.467 19.148 1.00 45.52 C ATOM 663 CE1 HIS A 87 14.322 7.496 18.834 1.00 46.46 C ATOM 664 NE2 HIS A 87 13.480 7.078 19.757 1.00 47.09 N ATOM 665 H HIS A 87 11.281 9.116 16.187 1.00 0.00 H ATOM 666 N SER A 88 10.309 7.304 13.526 1.00 36.29 N ATOM 667 CA SER A 88 9.416 6.954 12.449 1.00 34.71 C ATOM 668 C SER A 88 9.639 7.934 11.320 1.00 33.84 C ATOM 669 O SER A 88 10.239 8.997 11.527 1.00 34.57 O ATOM 670 CB SER A 88 7.975 6.998 12.946 1.00 35.04 C ATOM 671 OG SER A 88 7.562 8.342 13.138 1.00 34.99 O ATOM 672 HG SER A 88 6.626 8.356 13.460 1.00 0.00 H ATOM 673 H SER A 88 10.724 8.257 13.539 1.00 0.00 H ATOM 674 N ALA A 89 9.172 7.577 10.127 1.00 32.54 N ATOM 675 CA ALA A 89 9.246 8.458 8.971 1.00 32.63 C ATOM 676 C ALA A 89 8.076 8.165 8.052 1.00 30.44 C ATOM 677 O ALA A 89 7.662 7.030 7.918 1.00 30.34 O ATOM 678 CB ALA A 89 10.569 8.291 8.215 1.00 32.59 C ATOM 679 H ALA A 89 8.740 6.638 10.017 1.00 0.00 H ATOM 680 N THR A 90 7.568 9.206 7.408 1.00 30.73 N ATOM 681 CA THR A 90 6.497 9.075 6.449 1.00 29.70 C ATOM 682 C THR A 90 6.983 9.481 5.078 1.00 29.96 C ATOM 683 O THR A 90 7.662 10.478 4.966 1.00 30.17 O ATOM 684 CB THR A 90 5.342 10.020 6.836 1.00 30.70 C ATOM 685 OG1 THR A 90 4.907 9.696 8.164 1.00 30.96 O ATOM 686 CG2 THR A 90 4.194 9.879 5.897 1.00 28.84 C ATOM 687 HG1 THR A 90 4.165 10.298 8.423 1.00 0.00 H ATOM 688 H THR A 90 7.955 10.152 7.601 1.00 0.00 H ATOM 689 N THR A 91 6.600 8.714 4.054 1.00 28.81 N ATOM 690 CA THR A 91 6.733 9.098 2.658 1.00 28.93 C ATOM 691 C THR A 91 5.363 9.321 2.077 1.00 29.05 C ATOM 692 O THR A 91 4.453 8.548 2.326 1.00 28.62 O ATOM 693 CB THR A 91 7.435 8.016 1.803 1.00 29.17 C ATOM 694 OG1 THR A 91 6.676 6.784 1.816 1.00 29.51 O ATOM 695 CG2 THR A 91 8.870 7.770 2.344 1.00 30.20 C ATOM 696 HG1 THR A 91 5.773 6.950 1.446 1.00 0.00 H ATOM 697 H THR A 91 6.181 7.786 4.268 1.00 0.00 H ATOM 698 N TRP A 92 5.230 10.386 1.303 1.00 28.15 N ATOM 699 CA TRP A 92 4.054 10.638 0.490 1.00 27.89 C ATOM 700 C TRP A 92 4.457 10.532 -0.974 1.00 28.59 C ATOM 701 O TRP A 92 5.429 11.166 -1.390 1.00 28.86 O ATOM 702 CB TRP A 92 3.539 12.066 0.713 1.00 28.61 C ATOM 703 CG TRP A 92 2.888 12.354 2.039 1.00 28.45 C ATOM 704 CD1 TRP A 92 1.544 12.455 2.300 1.00 28.54 C ATOM 705 CD2 TRP A 92 3.556 12.682 3.258 1.00 29.45 C ATOM 706 NE1 TRP A 92 1.347 12.764 3.625 1.00 29.28 N ATOM 707 CE2 TRP A 92 2.563 12.909 4.234 1.00 29.06 C ATOM 708 CE3 TRP A 92 4.905 12.748 3.636 1.00 29.33 C ATOM 709 CZ2 TRP A 92 2.875 13.281 5.551 1.00 30.32 C ATOM 710 CZ3 TRP A 92 5.214 13.113 4.961 1.00 30.21 C ATOM 711 CH2 TRP A 92 4.207 13.357 5.890 1.00 30.83 C ATOM 712 HE1 TRP A 92 0.423 12.870 4.089 1.00 0.00 H ATOM 713 H TRP A 92 6.007 11.077 1.276 1.00 0.00 H ATOM 714 N SER A 93 3.670 9.776 -1.726 1.00 27.05 N ATOM 715 CA SER A 93 3.879 9.533 -3.142 1.00 28.28 C ATOM 716 C SER A 93 2.635 10.003 -3.856 1.00 27.95 C ATOM 717 O SER A 93 1.542 9.596 -3.518 1.00 28.69 O ATOM 718 CB SER A 93 4.053 8.037 -3.401 1.00 28.52 C ATOM 719 OG SER A 93 4.276 7.795 -4.808 1.00 28.73 O ATOM 720 HG SER A 93 5.094 8.271 -5.098 1.00 0.00 H ATOM 721 H SER A 93 2.849 9.327 -1.272 1.00 0.00 H ATOM 722 N GLY A 94 2.778 10.841 -4.871 1.00 29.26 N ATOM 723 CA GLY A 94 1.591 11.355 -5.530 1.00 30.05 C ATOM 724 C GLY A 94 1.827 12.252 -6.723 1.00 31.33 C ATOM 725 O GLY A 94 2.887 12.229 -7.346 1.00 30.87 O ATOM 726 H GLY A 94 3.725 11.126 -5.191 1.00 0.00 H ATOM 727 N GLN A 95 0.824 13.070 -7.011 1.00 32.19 N ATOM 728 CA GLN A 95 0.942 14.005 -8.090 1.00 33.17 C ATOM 729 C GLN A 95 0.230 15.291 -7.771 1.00 33.85 C ATOM 730 O GLN A 95 -0.790 15.303 -7.077 1.00 32.14 O ATOM 731 CB GLN A 95 0.465 13.384 -9.415 1.00 33.94 C ATOM 732 CG GLN A 95 -0.974 12.924 -9.488 1.00 34.95 C ATOM 733 CD GLN A 95 -1.281 12.272 -10.833 1.00 36.69 C ATOM 734 OE1 GLN A 95 -0.866 12.777 -11.879 1.00 37.89 O ATOM 735 NE2 GLN A 95 -2.011 11.145 -10.821 1.00 36.69 N ATOM 736 HE22 GLN A 95 -2.343 10.750 -9.918 1.00 0.00 H ATOM 737 HE21 GLN A 95 -2.245 10.667 -11.715 1.00 0.00 H ATOM 738 H GLN A 95 -0.052 13.033 -6.451 1.00 0.00 H ATOM 739 N TYR A 96 0.830 16.371 -8.248 1.00 34.69 N ATOM 740 CA TYR A 96 0.260 17.700 -8.206 1.00 36.15 C ATOM 741 C TYR A 96 -0.633 17.881 -9.420 1.00 37.09 C ATOM 742 O TYR A 96 -0.230 17.538 -10.523 1.00 36.69 O ATOM 743 CB TYR A 96 1.371 18.748 -8.212 1.00 38.44 C ATOM 744 CG TYR A 96 0.924 20.133 -8.615 1.00 40.00 C ATOM 745 CD1 TYR A 96 0.347 20.990 -7.686 1.00 40.89 C ATOM 746 CD2 TYR A 96 1.071 20.579 -9.928 1.00 42.04 C ATOM 747 CE1 TYR A 96 -0.064 22.260 -8.038 1.00 42.92 C ATOM 748 CE2 TYR A 96 0.659 21.852 -10.296 1.00 44.08 C ATOM 749 CZ TYR A 96 0.090 22.684 -9.344 1.00 44.52 C ATOM 750 OH TYR A 96 -0.313 23.946 -9.691 1.00 46.30 O ATOM 751 HH TYR A 96 -0.694 24.399 -8.898 1.00 0.00 H ATOM 752 H TYR A 96 1.769 16.257 -8.680 1.00 0.00 H ATOM 753 N VAL A 97 -1.835 18.403 -9.184 1.00 40.16 N ATOM 754 CA VAL A 97 -2.813 18.677 -10.234 1.00 43.88 C ATOM 755 C VAL A 97 -3.150 20.170 -10.149 1.00 46.29 C ATOM 756 O VAL A 97 -3.710 20.634 -9.153 1.00 43.75 O ATOM 757 CB VAL A 97 -4.078 17.801 -10.082 1.00 45.57 C ATOM 758 CG1 VAL A 97 -4.990 17.957 -11.301 1.00 49.67 C ATOM 759 CG2 VAL A 97 -3.690 16.335 -9.882 1.00 46.57 C ATOM 760 H VAL A 97 -2.091 18.627 -8.201 1.00 0.00 H ATOM 761 N GLY A 98 -2.787 20.912 -11.191 1.00 49.23 N ATOM 762 CA GLY A 98 -3.051 22.345 -11.262 1.00 52.42 C ATOM 763 C GLY A 98 -4.485 22.664 -11.640 1.00 54.70 C ATOM 764 O GLY A 98 -5.315 21.772 -11.804 1.00 54.33 O ATOM 765 H GLY A 98 -2.296 20.454 -11.985 1.00 0.00 H ATOM 766 N GLY A 99 -4.762 23.953 -11.782 1.00 57.96 N ATOM 767 CA GLY A 99 -6.097 24.445 -12.121 1.00 60.50 C ATOM 768 C GLY A 99 -6.714 25.248 -10.996 1.00 62.11 C ATOM 769 O GLY A 99 -6.038 25.618 -10.017 1.00 60.79 O ATOM 770 H GLY A 99 -3.997 24.644 -11.646 1.00 0.00 H ATOM 771 N ALA A 100 -8.011 25.509 -11.143 1.00 65.22 N ATOM 772 CA ALA A 100 -8.750 26.403 -10.244 1.00 66.36 C ATOM 773 C ALA A 100 -8.627 25.981 -8.788 1.00 64.65 C ATOM 774 O ALA A 100 -8.333 26.803 -7.916 1.00 65.94 O ATOM 775 CB ALA A 100 -10.215 26.456 -10.648 1.00 68.60 C ATOM 776 H ALA A 100 -8.523 25.060 -11.929 1.00 0.00 H ATOM 777 N GLU A 101 -8.844 24.692 -8.542 1.00 61.65 N ATOM 778 CA GLU A 101 -8.672 24.107 -7.227 1.00 57.81 C ATOM 779 C GLU A 101 -7.502 23.122 -7.312 1.00 51.93 C ATOM 780 O GLU A 101 -7.691 21.920 -7.491 1.00 49.64 O ATOM 781 CB GLU A 101 -9.975 23.452 -6.753 1.00 60.37 C ATOM 782 CG GLU A 101 -11.105 24.472 -6.570 1.00 65.48 C ATOM 783 CD GLU A 101 -12.318 23.956 -5.795 1.00 68.21 C ATOM 784 OE1 GLU A 101 -13.417 24.500 -6.029 1.00 72.13 O ATOM 785 OE2 GLU A 101 -12.191 23.028 -4.950 1.00 70.72 O ATOM 786 H GLU A 101 -9.149 24.079 -9.325 1.00 0.00 H ATOM 787 N ALA A 102 -6.292 23.670 -7.205 1.00 48.33 N ATOM 788 CA ALA A 102 -5.067 22.879 -7.286 1.00 46.04 C ATOM 789 C ALA A 102 -4.989 21.906 -6.113 1.00 42.36 C ATOM 790 O ALA A 102 -5.411 22.212 -4.998 1.00 38.62 O ATOM 791 CB ALA A 102 -3.840 23.773 -7.296 1.00 47.02 C ATOM 792 H ALA A 102 -6.217 24.697 -7.059 1.00 0.00 H ATOM 793 N ARG A 103 -4.453 20.728 -6.385 1.00 40.44 N ATOM 794 CA ARG A 103 -4.374 19.681 -5.382 1.00 39.68 C ATOM 795 C ARG A 103 -3.074 18.911 -5.510 1.00 38.05 C ATOM 796 O ARG A 103 -2.475 18.849 -6.586 1.00 38.73 O ATOM 797 CB ARG A 103 -5.555 18.710 -5.537 1.00 40.37 C ATOM 798 CG ARG A 103 -6.863 19.243 -4.986 1.00 41.39 C ATOM 799 CD ARG A 103 -7.941 18.179 -5.007 1.00 42.00 C ATOM 800 NE ARG A 103 -9.119 18.630 -4.288 1.00 43.40 N ATOM 801 CZ ARG A 103 -9.403 18.304 -3.035 1.00 44.30 C ATOM 802 NH1 ARG A 103 -10.498 18.781 -2.463 1.00 46.82 N ATOM 803 NH2 ARG A 103 -8.603 17.504 -2.351 1.00 43.42 N ATOM 804 HE ARG A 103 -9.785 19.251 -4.790 1.00 0.00 H ATOM 805 HH12 ARG A 103 -10.724 18.527 -1.480 1.00 0.00 H ATOM 806 HH11 ARG A 103 -11.132 19.409 -2.997 1.00 0.00 H ATOM 807 HH22 ARG A 103 -8.834 17.254 -1.368 1.00 0.00 H ATOM 808 HH21 ARG A 103 -7.743 17.125 -2.796 1.00 0.00 H ATOM 809 H ARG A 103 -4.080 20.547 -7.339 1.00 0.00 H ATOM 810 N ILE A 104 -2.642 18.341 -4.391 1.00 36.38 N ATOM 811 CA ILE A 104 -1.668 17.254 -4.413 1.00 34.87 C ATOM 812 C ILE A 104 -2.376 16.025 -3.835 1.00 33.37 C ATOM 813 O ILE A 104 -2.814 16.022 -2.678 1.00 32.60 O ATOM 814 CB ILE A 104 -0.376 17.565 -3.643 1.00 34.97 C ATOM 815 CG1 ILE A 104 0.252 18.885 -4.134 1.00 36.28 C ATOM 816 CG2 ILE A 104 0.631 16.438 -3.832 1.00 33.86 C ATOM 817 CD1 ILE A 104 1.453 19.317 -3.335 1.00 36.84 C ATOM 818 H ILE A 104 -3.006 18.677 -3.477 1.00 0.00 H ATOM 819 N ASN A 105 -2.522 14.999 -4.672 1.00 32.03 N ATOM 820 CA ASN A 105 -3.179 13.762 -4.275 1.00 32.21 C ATOM 821 C ASN A 105 -2.094 12.731 -3.995 1.00 30.45 C ATOM 822 O ASN A 105 -1.293 12.438 -4.863 1.00 29.74 O ATOM 823 CB ASN A 105 -4.122 13.270 -5.367 1.00 33.96 C ATOM 824 CG ASN A 105 -5.245 14.255 -5.625 1.00 35.85 C ATOM 825 OD1 ASN A 105 -5.870 14.735 -4.684 1.00 37.64 O ATOM 826 ND2 ASN A 105 -5.476 14.601 -6.887 1.00 38.38 N ATOM 827 HD22 ASN A 105 -4.923 14.169 -7.654 1.00 0.00 H ATOM 828 HD21 ASN A 105 -6.210 15.304 -7.107 1.00 0.00 H ATOM 829 H ASN A 105 -2.154 15.085 -5.641 1.00 0.00 H ATOM 830 N THR A 106 -2.079 12.212 -2.776 1.00 29.42 N ATOM 831 CA THR A 106 -1.007 11.326 -2.335 1.00 28.67 C ATOM 832 C THR A 106 -1.497 10.069 -1.645 1.00 28.39 C ATOM 833 O THR A 106 -2.621 10.005 -1.089 1.00 28.19 O ATOM 834 CB THR A 106 -0.052 12.024 -1.342 1.00 29.44 C ATOM 835 OG1 THR A 106 -0.717 12.209 -0.079 1.00 29.55 O ATOM 836 CG2 THR A 106 0.422 13.379 -1.895 1.00 29.39 C ATOM 837 HG1 THR A 106 -1.522 12.770 -0.210 1.00 0.00 H ATOM 838 H THR A 106 -2.850 12.442 -2.117 1.00 0.00 H ATOM 839 N GLN A 107 -0.617 9.078 -1.671 1.00 28.47 N ATOM 840 CA GLN A 107 -0.700 7.916 -0.804 1.00 28.42 C ATOM 841 C GLN A 107 0.546 7.925 0.064 1.00 28.09 C ATOM 842 O GLN A 107 1.631 8.287 -0.379 1.00 27.77 O ATOM 843 CB GLN A 107 -0.874 6.638 -1.641 1.00 30.98 C ATOM 844 CG GLN A 107 -2.132 6.775 -2.501 1.00 34.62 C ATOM 845 CD GLN A 107 -2.705 5.492 -3.039 1.00 36.91 C ATOM 846 OE1 GLN A 107 -3.158 4.637 -2.278 1.00 40.18 O ATOM 847 NE2 GLN A 107 -2.708 5.354 -4.374 1.00 37.55 N ATOM 848 HE22 GLN A 107 -2.313 6.105 -4.975 1.00 0.00 H ATOM 849 HE21 GLN A 107 -3.105 4.496 -4.807 1.00 0.00 H ATOM 850 H GLN A 107 0.172 9.136 -2.346 1.00 0.00 H ATOM 851 N TRP A 108 0.384 7.608 1.342 1.00 26.93 N ATOM 852 CA TRP A 108 1.508 7.659 2.256 1.00 26.99 C ATOM 853 C TRP A 108 1.755 6.327 2.930 1.00 26.39 C ATOM 854 O TRP A 108 0.853 5.492 3.070 1.00 26.47 O ATOM 855 CB TRP A 108 1.386 8.763 3.330 1.00 26.94 C ATOM 856 CG TRP A 108 0.117 8.759 4.161 1.00 27.25 C ATOM 857 CD1 TRP A 108 -0.958 9.601 4.005 1.00 27.47 C ATOM 858 CD2 TRP A 108 -0.191 7.938 5.294 1.00 27.62 C ATOM 859 NE1 TRP A 108 -1.901 9.347 4.963 1.00 28.27 N ATOM 860 CE2 TRP A 108 -1.469 8.322 5.755 1.00 28.08 C ATOM 861 CE3 TRP A 108 0.484 6.901 5.968 1.00 28.33 C ATOM 862 CZ2 TRP A 108 -2.084 7.717 6.853 1.00 29.15 C ATOM 863 CZ3 TRP A 108 -0.134 6.295 7.053 1.00 28.11 C ATOM 864 CH2 TRP A 108 -1.402 6.709 7.488 1.00 29.27 C ATOM 865 HE1 TRP A 108 -2.803 9.854 5.071 1.00 0.00 H ATOM 866 H TRP A 108 -0.553 7.322 1.690 1.00 0.00 H ATOM 867 N LEU A 109 3.012 6.161 3.336 1.00 28.52 N ATOM 868 CA LEU A 109 3.484 5.061 4.156 1.00 27.85 C ATOM 869 C LEU A 109 4.199 5.646 5.357 1.00 28.25 C ATOM 870 O LEU A 109 5.117 6.471 5.194 1.00 27.87 O ATOM 871 CB LEU A 109 4.465 4.205 3.365 1.00 29.39 C ATOM 872 CG LEU A 109 3.903 3.503 2.129 1.00 28.87 C ATOM 873 CD1 LEU A 109 5.024 2.971 1.242 1.00 30.30 C ATOM 874 CD2 LEU A 109 2.898 2.448 2.536 1.00 29.14 C ATOM 875 H LEU A 109 3.709 6.875 3.043 1.00 0.00 H ATOM 876 N LEU A 110 3.792 5.217 6.541 1.00 27.51 N ATOM 877 CA LEU A 110 4.446 5.583 7.793 1.00 30.16 C ATOM 878 C LEU A 110 5.157 4.356 8.341 1.00 29.58 C ATOM 879 O LEU A 110 4.512 3.413 8.827 1.00 29.74 O ATOM 880 CB LEU A 110 3.437 6.092 8.821 1.00 31.13 C ATOM 881 CG LEU A 110 3.883 6.273 10.278 1.00 34.27 C ATOM 882 CD1 LEU A 110 5.097 7.188 10.429 1.00 35.37 C ATOM 883 CD2 LEU A 110 2.709 6.817 11.083 1.00 35.28 C ATOM 884 H LEU A 110 2.965 4.588 6.581 1.00 0.00 H ATOM 885 N THR A 111 6.483 4.378 8.264 1.00 30.53 N ATOM 886 CA THR A 111 7.290 3.313 8.855 1.00 30.75 C ATOM 887 C THR A 111 7.876 3.765 10.190 1.00 32.66 C ATOM 888 O THR A 111 8.537 4.803 10.295 1.00 32.39 O ATOM 889 CB THR A 111 8.417 2.819 7.928 1.00 31.47 C ATOM 890 OG1 THR A 111 7.864 2.352 6.705 1.00 30.57 O ATOM 891 CG2 THR A 111 9.192 1.658 8.592 1.00 32.03 C ATOM 892 HG1 THR A 111 7.240 1.606 6.890 1.00 0.00 H ATOM 893 H THR A 111 6.954 5.166 7.775 1.00 0.00 H ATOM 894 N SER A 112 7.598 2.970 11.207 1.00 32.74 N ATOM 895 CA SER A 112 8.199 3.138 12.516 1.00 34.97 C ATOM 896 C SER A 112 9.357 2.161 12.659 1.00 35.72 C ATOM 897 O SER A 112 9.308 1.055 12.142 1.00 35.84 O ATOM 898 CB SER A 112 7.163 2.871 13.599 1.00 35.66 C ATOM 899 OG SER A 112 6.109 3.805 13.507 1.00 35.44 O ATOM 900 HG SER A 112 5.678 3.728 12.619 1.00 0.00 H ATOM 901 H SER A 112 6.922 2.193 11.064 1.00 0.00 H ATOM 902 N GLY A 113 10.401 2.572 13.365 1.00 37.45 N ATOM 903 CA GLY A 113 11.518 1.664 13.651 1.00 38.63 C ATOM 904 C GLY A 113 11.008 0.622 14.624 1.00 39.81 C ATOM 905 O GLY A 113 10.378 0.982 15.596 1.00 42.33 O ATOM 906 H GLY A 113 10.429 3.549 13.720 1.00 0.00 H ATOM 907 N THR A 114 11.239 -0.656 14.329 1.00 39.87 N ATOM 908 CA THR A 114 10.755 -1.794 15.117 1.00 41.38 C ATOM 909 C THR A 114 11.874 -2.820 15.271 1.00 43.04 C ATOM 910 O THR A 114 12.857 -2.786 14.545 1.00 41.55 O ATOM 911 CB THR A 114 9.619 -2.548 14.406 1.00 41.07 C ATOM 912 OG1 THR A 114 10.128 -3.210 13.231 1.00 40.70 O ATOM 913 CG2 THR A 114 8.497 -1.583 13.992 1.00 40.14 C ATOM 914 HG1 THR A 114 10.832 -3.854 13.495 1.00 0.00 H ATOM 915 H THR A 114 11.803 -0.861 13.479 1.00 0.00 H ATOM 916 N THR A 115 11.670 -3.771 16.173 1.00 44.81 N ATOM 917 CA THR A 115 12.524 -4.944 16.256 1.00 47.79 C ATOM 918 C THR A 115 12.211 -5.826 15.066 1.00 48.71 C ATOM 919 O THR A 115 11.210 -5.617 14.384 1.00 44.88 O ATOM 920 CB THR A 115 12.236 -5.746 17.529 1.00 49.40 C ATOM 921 OG1 THR A 115 10.888 -6.229 17.494 1.00 49.05 O ATOM 922 CG2 THR A 115 12.426 -4.891 18.767 1.00 50.63 C ATOM 923 HG1 THR A 115 10.703 -6.747 18.317 1.00 0.00 H ATOM 924 H THR A 115 10.877 -3.675 16.839 1.00 0.00 H ATOM 925 N GLU A 116 13.042 -6.833 14.814 1.00 52.01 N ATOM 926 CA GLU A 116 12.742 -7.754 13.706 1.00 54.06 C ATOM 927 C GLU A 116 11.453 -8.531 13.960 1.00 52.31 C ATOM 928 O GLU A 116 10.640 -8.686 13.053 1.00 52.91 O ATOM 929 CB GLU A 116 13.925 -8.692 13.376 1.00 59.20 C ATOM 930 CG GLU A 116 14.958 -8.021 12.459 1.00 62.09 C ATOM 931 CD GLU A 116 14.378 -7.560 11.119 1.00 63.64 C ATOM 932 OE1 GLU A 116 14.045 -6.350 10.970 1.00 66.65 O ATOM 933 OE2 GLU A 116 14.230 -8.408 10.208 1.00 66.97 O ATOM 934 H GLU A 116 13.895 -6.968 15.394 1.00 0.00 H ATOM 935 N ALA A 117 11.247 -8.947 15.199 1.00 53.69 N ATOM 936 CA ALA A 117 10.018 -9.631 15.596 1.00 53.98 C ATOM 937 C ALA A 117 8.761 -8.826 15.265 1.00 51.15 C ATOM 938 O ALA A 117 7.751 -9.407 14.877 1.00 50.99 O ATOM 939 CB ALA A 117 10.049 -9.968 17.073 1.00 56.80 C ATOM 940 H ALA A 117 11.984 -8.782 15.914 1.00 0.00 H ATOM 941 N ASN A 118 8.853 -7.498 15.382 1.00 48.16 N ATOM 942 CA ASN A 118 7.729 -6.602 15.150 1.00 45.93 C ATOM 943 C ASN A 118 7.712 -5.943 13.768 1.00 41.96 C ATOM 944 O ASN A 118 6.867 -5.072 13.511 1.00 40.23 O ATOM 945 CB ASN A 118 7.709 -5.545 16.253 1.00 46.11 C ATOM 946 CG ASN A 118 7.273 -6.117 17.581 1.00 49.47 C ATOM 947 OD1 ASN A 118 6.782 -7.245 17.648 1.00 50.13 O ATOM 948 ND2 ASN A 118 7.478 -5.358 18.649 1.00 50.29 N ATOM 949 HD22 ASN A 118 7.896 -4.412 18.542 1.00 0.00 H ATOM 950 HD21 ASN A 118 7.221 -5.709 19.594 1.00 0.00 H ATOM 951 H ASN A 118 9.769 -7.086 15.651 1.00 0.00 H ATOM 952 N ALA A 119 8.600 -6.380 12.874 1.00 41.20 N ATOM 953 CA ALA A 119 8.744 -5.764 11.536 1.00 39.80 C ATOM 954 C ALA A 119 7.467 -5.821 10.702 1.00 39.43 C ATOM 955 O ALA A 119 7.202 -4.928 9.876 1.00 36.78 O ATOM 956 CB ALA A 119 9.911 -6.382 10.776 1.00 40.70 C ATOM 957 H ALA A 119 9.213 -7.182 13.126 1.00 0.00 H ATOM 958 N TRP A 120 6.679 -6.869 10.921 1.00 39.92 N ATOM 959 CA TRP A 120 5.400 -7.019 10.249 1.00 41.32 C ATOM 960 C TRP A 120 4.452 -5.845 10.486 1.00 40.98 C ATOM 961 O TRP A 120 3.687 -5.497 9.590 1.00 42.81 O ATOM 962 CB TRP A 120 4.730 -8.342 10.624 1.00 43.64 C ATOM 963 CG TRP A 120 4.358 -8.437 12.043 1.00 45.39 C ATOM 964 CD1 TRP A 120 5.103 -8.968 13.045 1.00 47.65 C ATOM 965 CD2 TRP A 120 3.137 -7.989 12.639 1.00 47.21 C ATOM 966 NE1 TRP A 120 4.426 -8.881 14.227 1.00 49.71 N ATOM 967 CE2 TRP A 120 3.213 -8.290 14.007 1.00 49.42 C ATOM 968 CE3 TRP A 120 1.978 -7.376 12.143 1.00 47.92 C ATOM 969 CZ2 TRP A 120 2.179 -7.992 14.900 1.00 52.42 C ATOM 970 CZ3 TRP A 120 0.943 -7.091 13.038 1.00 49.43 C ATOM 971 CH2 TRP A 120 1.064 -7.387 14.388 1.00 50.31 C ATOM 972 HE1 TRP A 120 4.777 -9.212 15.148 1.00 0.00 H ATOM 973 H TRP A 120 6.987 -7.602 11.592 1.00 0.00 H ATOM 974 N LYS A 121 4.535 -5.206 11.650 1.00 39.90 N ATOM 975 CA LYS A 121 3.673 -4.045 11.970 1.00 39.62 C ATOM 976 C LYS A 121 4.412 -2.708 11.909 1.00 37.26 C ATOM 977 O LYS A 121 4.022 -1.751 12.569 1.00 38.22 O ATOM 978 CB LYS A 121 2.962 -4.209 13.322 1.00 41.80 C ATOM 979 CG LYS A 121 3.854 -4.422 14.528 1.00 44.43 C ATOM 980 CD LYS A 121 3.034 -4.411 15.804 1.00 47.14 C ATOM 981 CE LYS A 121 3.851 -4.928 16.971 1.00 49.99 C ATOM 982 NZ LYS A 121 3.072 -5.055 18.246 1.00 53.44 N ATOM 983 HZ1 LYS A 121 2.700 -4.123 18.518 1.00 0.00 H ATOM 984 HZ2 LYS A 121 2.282 -5.717 18.104 1.00 0.00 H ATOM 985 HZ3 LYS A 121 3.695 -5.413 18.997 1.00 0.00 H ATOM 986 H LYS A 121 5.226 -5.531 12.356 1.00 0.00 H ATOM 987 N SER A 122 5.448 -2.632 11.084 1.00 34.32 N ATOM 988 CA SER A 122 6.227 -1.425 10.959 1.00 33.63 C ATOM 989 C SER A 122 5.553 -0.349 10.099 1.00 31.83 C ATOM 990 O SER A 122 5.827 0.815 10.290 1.00 31.39 O ATOM 991 CB SER A 122 7.633 -1.755 10.411 1.00 33.86 C ATOM 992 OG SER A 122 7.585 -2.168 9.046 1.00 34.28 O ATOM 993 HG SER A 122 8.502 -2.370 8.731 1.00 0.00 H ATOM 994 H SER A 122 5.705 -3.463 10.514 1.00 0.00 H ATOM 995 N THR A 123 4.673 -0.715 9.165 1.00 29.51 N ATOM 996 CA THR A 123 4.303 0.229 8.109 1.00 28.76 C ATOM 997 C THR A 123 2.790 0.362 7.965 1.00 28.62 C ATOM 998 O THR A 123 2.095 -0.598 7.580 1.00 28.43 O ATOM 999 CB THR A 123 4.943 -0.184 6.787 1.00 28.58 C ATOM 1000 OG1 THR A 123 6.349 -0.271 7.007 1.00 29.78 O ATOM 1001 CG2 THR A 123 4.716 0.869 5.738 1.00 27.55 C ATOM 1002 HG1 THR A 123 6.798 -0.538 6.166 1.00 0.00 H ATOM 1003 H THR A 123 4.252 -1.666 9.187 1.00 0.00 H ATOM 1004 N LEU A 124 2.308 1.551 8.325 1.00 27.75 N ATOM 1005 CA LEU A 124 0.928 1.953 8.085 1.00 28.06 C ATOM 1006 C LEU A 124 0.789 2.601 6.727 1.00 27.13 C ATOM 1007 O LEU A 124 1.717 3.247 6.242 1.00 27.63 O ATOM 1008 CB LEU A 124 0.459 2.949 9.141 1.00 28.81 C ATOM 1009 CG LEU A 124 0.320 2.403 10.550 1.00 30.16 C ATOM 1010 CD1 LEU A 124 0.320 3.581 11.506 1.00 32.49 C ATOM 1011 CD2 LEU A 124 -0.929 1.542 10.716 1.00 30.96 C ATOM 1012 H LEU A 124 2.946 2.222 8.799 1.00 0.00 H ATOM 1013 N VAL A 125 -0.402 2.462 6.138 1.00 27.30 N ATOM 1014 CA VAL A 125 -0.690 3.027 4.821 1.00 26.60 C ATOM 1015 C VAL A 125 -1.967 3.875 4.915 1.00 26.21 C ATOM 1016 O VAL A 125 -2.922 3.540 5.636 1.00 27.72 O ATOM 1017 CB VAL A 125 -0.811 1.950 3.695 1.00 26.53 C ATOM 1018 CG1 VAL A 125 -1.934 0.971 3.944 1.00 28.05 C ATOM 1019 CG2 VAL A 125 -0.944 2.583 2.323 1.00 27.11 C ATOM 1020 H VAL A 125 -1.149 1.934 6.633 1.00 0.00 H ATOM 1021 N GLY A 126 -1.962 4.960 4.153 1.00 26.99 N ATOM 1022 CA GLY A 126 -3.132 5.814 4.013 1.00 27.15 C ATOM 1023 C GLY A 126 -3.027 6.744 2.825 1.00 27.13 C ATOM 1024 O GLY A 126 -2.199 6.546 1.929 1.00 26.99 O ATOM 1025 H GLY A 126 -1.093 5.209 3.638 1.00 0.00 H ATOM 1026 N HIS A 127 -3.858 7.775 2.830 1.00 28.15 N ATOM 1027 CA HIS A 127 -3.872 8.719 1.718 1.00 29.18 C ATOM 1028 C HIS A 127 -4.125 10.114 2.269 1.00 30.59 C ATOM 1029 O HIS A 127 -4.858 10.263 3.239 1.00 31.07 O ATOM 1030 CB HIS A 127 -4.916 8.304 0.671 1.00 30.34 C ATOM 1031 CG HIS A 127 -6.240 7.942 1.258 1.00 34.11 C ATOM 1032 ND1 HIS A 127 -7.267 8.849 1.370 1.00 35.72 N ATOM 1033 CD2 HIS A 127 -6.692 6.782 1.814 1.00 36.34 C ATOM 1034 CE1 HIS A 127 -8.303 8.269 1.953 1.00 38.00 C ATOM 1035 NE2 HIS A 127 -7.988 7.011 2.214 1.00 37.88 N ATOM 1036 H HIS A 127 -4.505 7.913 3.632 1.00 0.00 H ATOM 1037 N ASP A 128 -3.510 11.106 1.644 1.00 31.03 N ATOM 1038 CA ASP A 128 -3.709 12.515 2.000 1.00 30.93 C ATOM 1039 C ASP A 128 -3.985 13.270 0.727 1.00 31.55 C ATOM 1040 O ASP A 128 -3.309 13.063 -0.266 1.00 31.68 O ATOM 1041 CB ASP A 128 -2.470 13.137 2.633 1.00 31.63 C ATOM 1042 CG ASP A 128 -2.351 12.865 4.116 1.00 32.68 C ATOM 1043 OD1 ASP A 128 -3.303 12.372 4.735 1.00 37.37 O ATOM 1044 OD2 ASP A 128 -1.300 13.202 4.680 1.00 33.07 O ATOM 1045 H ASP A 128 -2.858 10.876 0.867 1.00 0.00 H ATOM 1046 N THR A 129 -4.944 14.169 0.805 1.00 31.41 N ATOM 1047 CA THR A 129 -5.190 15.089 -0.296 1.00 32.73 C ATOM 1048 C THR A 129 -4.941 16.499 0.230 1.00 32.92 C ATOM 1049 O THR A 129 -5.437 16.892 1.285 1.00 33.39 O ATOM 1050 CB THR A 129 -6.570 14.888 -0.953 1.00 34.13 C ATOM 1051 OG1 THR A 129 -6.661 15.708 -2.131 1.00 35.98 O ATOM 1052 CG2 THR A 129 -7.727 15.191 0.009 1.00 34.70 C ATOM 1053 HG1 THR A 129 -5.949 15.448 -2.768 1.00 0.00 H ATOM 1054 H THR A 129 -5.531 14.222 1.662 1.00 0.00 H ATOM 1055 N PHE A 130 -4.095 17.221 -0.491 1.00 32.81 N ATOM 1056 CA PHE A 130 -3.658 18.559 -0.088 1.00 33.48 C ATOM 1057 C PHE A 130 -4.288 19.627 -0.959 1.00 35.90 C ATOM 1058 O PHE A 130 -4.335 19.461 -2.170 1.00 35.78 O ATOM 1059 CB PHE A 130 -2.152 18.700 -0.160 1.00 32.75 C ATOM 1060 CG PHE A 130 -1.405 17.776 0.771 1.00 31.87 C ATOM 1061 CD1 PHE A 130 -1.077 16.470 0.379 1.00 31.55 C ATOM 1062 CD2 PHE A 130 -1.030 18.206 2.040 1.00 32.76 C ATOM 1063 CE1 PHE A 130 -0.372 15.621 1.220 1.00 30.75 C ATOM 1064 CE2 PHE A 130 -0.342 17.349 2.893 1.00 32.39 C ATOM 1065 CZ PHE A 130 -0.006 16.061 2.480 1.00 31.54 C ATOM 1066 H PHE A 130 -3.727 16.821 -1.378 1.00 0.00 H ATOM 1067 N THR A 131 -4.726 20.718 -0.325 1.00 38.11 N ATOM 1068 CA THR A 131 -5.239 21.899 -1.020 1.00 41.13 C ATOM 1069 C THR A 131 -4.514 23.141 -0.539 1.00 41.80 C ATOM 1070 O THR A 131 -3.919 23.148 0.549 1.00 39.60 O ATOM 1071 CB THR A 131 -6.739 22.090 -0.755 1.00 44.49 C ATOM 1072 OG1 THR A 131 -6.972 22.046 0.663 1.00 47.70 O ATOM 1073 CG2 THR A 131 -7.528 20.988 -1.421 1.00 44.67 C ATOM 1074 HG1 THR A 131 -6.459 22.770 1.103 1.00 0.00 H ATOM 1075 H THR A 131 -4.701 20.729 0.715 1.00 0.00 H ATOM 1076 N LYS A 132 -4.600 24.196 -1.344 1.00 42.77 N ATOM 1077 CA LYS A 132 -4.020 25.495 -0.978 1.00 46.18 C ATOM 1078 C LYS A 132 -4.843 26.287 0.055 1.00 47.63 C ATOM 1079 O LYS A 132 -4.349 27.285 0.576 1.00 46.75 O ATOM 1080 CB LYS A 132 -3.725 26.321 -2.236 1.00 48.13 C ATOM 1081 CG LYS A 132 -2.478 25.824 -2.947 1.00 49.01 C ATOM 1082 CD LYS A 132 -2.255 26.514 -4.279 1.00 52.59 C ATOM 1083 CE LYS A 132 -0.876 26.159 -4.811 1.00 53.30 C ATOM 1084 NZ LYS A 132 -0.707 26.525 -6.244 1.00 56.18 N ATOM 1085 HZ1 LYS A 132 -1.412 26.017 -6.816 1.00 0.00 H ATOM 1086 HZ2 LYS A 132 -0.840 27.550 -6.357 1.00 0.00 H ATOM 1087 HZ3 LYS A 132 0.249 26.262 -6.557 1.00 0.00 H ATOM 1088 H LYS A 132 -5.090 24.099 -2.256 1.00 0.00 H ATOM 1089 N VAL A 133 -6.057 25.818 0.361 1.00 50.47 N ATOM 1090 CA VAL A 133 -6.937 26.382 1.396 1.00 54.94 C ATOM 1091 C VAL A 133 -7.245 25.363 2.509 1.00 55.47 C ATOM 1092 O VAL A 133 -7.380 24.186 2.243 1.00 56.50 O ATOM 1093 CB VAL A 133 -8.311 26.761 0.792 1.00 57.66 C ATOM 1094 CG1 VAL A 133 -8.991 27.818 1.650 1.00 60.66 C ATOM 1095 CG2 VAL A 133 -8.180 27.244 -0.649 1.00 59.47 C ATOM 1096 H VAL A 133 -6.404 24.995 -0.171 1.00 0.00 H ATOM 1097 N LYS A 134 -7.417 25.833 3.740 1.00 60.48 N ATOM 1098 CA LYS A 134 -7.855 24.972 4.863 1.00 62.54 C ATOM 1099 C LYS A 134 -9.267 24.395 4.668 1.00 64.34 C ATOM 1100 O LYS A 134 -9.540 23.246 5.048 1.00 66.03 O ATOM 1101 CB LYS A 134 -7.837 25.760 6.169 1.00 64.72 C ATOM 1102 CG LYS A 134 -6.450 26.199 6.621 1.00 65.25 C ATOM 1103 CD LYS A 134 -6.540 27.268 7.700 1.00 67.60 C ATOM 1104 CE LYS A 134 -5.175 27.811 8.089 1.00 67.89 C ATOM 1105 NZ LYS A 134 -5.248 28.575 9.365 1.00 70.23 N ATOM 1106 HZ1 LYS A 134 -5.905 29.373 9.253 1.00 0.00 H ATOM 1107 HZ2 LYS A 134 -5.587 27.949 10.123 1.00 0.00 H ATOM 1108 HZ3 LYS A 134 -4.303 28.934 9.607 1.00 0.00 H ATOM 1109 H LYS A 134 -7.238 26.841 3.921 1.00 0.00 H TER 1110 LYS A 134 HETATM 1111 O HOH 1 -3.990 4.986 -0.041 1.00 30.75 O HETATM 1112 O HOH 2 -3.206 14.718 9.030 1.00 38.81 O HETATM 1113 O HOH 3 -1.662 28.035 0.460 1.00 40.77 O HETATM 1114 O HOH 4 3.865 21.042 -12.202 1.00 45.26 O HETATM 1115 O HOH 5 3.862 -3.305 8.217 1.00 34.83 O HETATM 1116 O HOH 6 12.665 15.035 8.656 1.00 37.02 O HETATM 1117 O HOH 7 4.784 28.451 2.477 1.00 51.45 O HETATM 1118 O HOH 8 6.339 9.212 -5.556 1.00 35.95 O HETATM 1119 O HOH 9 9.070 8.201 20.690 1.00 50.95 O HETATM 1120 O HOH 10 -6.279 24.306 -3.671 1.00 42.00 O HETATM 1121 O HOH 11 13.979 -4.149 12.599 1.00 52.67 O HETATM 1122 O HOH 12 -11.686 16.819 5.532 1.00 63.94 O HETATM 1123 O HOH 13 1.036 18.776 -14.088 1.00 43.70 O HETATM 1124 O HOH 14 6.703 7.124 18.194 1.00 46.74 O HETATM 1125 O HOH 15 -4.052 12.227 7.270 1.00 48.24 O HETATM 1126 O HOH 16 -1.422 28.446 7.873 1.00 43.67 O HETATM 1127 O HOH 17 -4.966 10.473 -2.246 1.00 45.93 O HETATM 1128 O HOH 18 12.760 16.736 -11.834 1.00 42.62 O HETATM 1129 O HOH 19 0.953 26.673 11.232 1.00 46.58 O HETATM 1130 O HOH 20 13.370 23.275 -2.761 1.00 46.69 O HETATM 1131 O HOH 21 13.726 20.886 -15.436 1.00 75.09 O HETATM 1132 O HOH 22 3.060 0.732 12.850 1.00 43.31 O HETATM 1133 O HOH 23 13.231 -9.418 16.937 1.00 52.81 O HETATM 1134 O HOH 24 17.102 17.279 14.907 1.00 56.12 O HETATM 1135 O HOH 25 8.234 -0.387 5.092 1.00 39.58 O HETATM 1136 O HOH 26 12.021 12.037 0.107 1.00 50.89 O HETATM 1137 O HOH 27 5.597 23.938 13.868 1.00 56.67 O HETATM 1138 O HOH 28 15.354 17.961 -1.966 1.00 50.43 O HETATM 1139 O HOH 29 16.593 17.259 -4.168 1.00 47.94 O HETATM 1140 O HOH 30 14.181 20.580 3.488 1.00 59.38 O HETATM 1141 O HOH 31 14.932 26.828 -7.798 1.00 59.16 O HETATM 1142 O HOH 32 1.492 19.258 15.275 1.00 50.19 O HETATM 1143 O HOH 33 9.949 -1.839 7.717 1.00 55.50 O HETATM 1144 O HOH 34 4.237 2.905 11.718 1.00 33.45 O HETATM 1145 O HOH 35 13.318 22.625 5.680 1.00 54.57 O HETATM 1146 O HOH 36 7.491 17.784 23.557 1.00 70.30 O HETATM 1147 O HOH 37 6.851 27.339 0.698 1.00 64.63 O HETATM 1148 O HOH 38 -7.544 10.299 4.193 1.00 60.33 O HETATM 1149 O HOH 39 13.160 17.867 11.409 1.00 44.49 O HETATM 1150 O HOH 40 12.377 9.577 13.685 1.00 42.16 O HETATM 1151 O HOH 41 7.545 -5.441 21.427 1.00 68.21 O HETATM 1152 O HOH 42 -7.658 18.537 1.593 1.00 42.18 O HETATM 1153 O HOH 43 14.728 14.529 11.105 1.00 50.03 O HETATM 1154 O HOH 44 8.313 22.835 -13.442 1.00 59.73 O HETATM 1155 O HOH 45 4.950 13.937 -13.841 1.00 36.67 O HETATM 1156 O HOH 46 -8.281 11.411 6.422 1.00 52.92 O HETATM 1157 O HOH 47 -1.107 26.416 9.599 1.00 43.10 O HETATM 1158 O HOH 48 3.506 14.473 -16.254 1.00 45.13 O HETATM 1159 O HOH 49 9.146 3.282 16.876 1.00 63.79 O HETATM 1160 O HOH 50 15.273 14.503 19.510 1.00 52.93 O HETATM 1161 O HOH 51 6.612 20.769 -12.448 1.00 43.83 O HETATM 1162 O HOH 52 -1.560 19.687 -13.547 1.00 51.63 O HETATM 1163 O HOH 53 6.908 29.820 13.115 1.00 78.08 O HETATM 1164 O HOH 54 -4.513 12.690 -8.916 1.00 48.72 O HETATM 1165 O HOH 55 -5.566 7.759 5.241 1.00 33.33 O HETATM 1166 O HOH 56 12.089 2.656 17.466 1.00 44.18 O HETATM 1167 O HOH 57 -5.185 5.394 6.696 1.00 43.83 O HETATM 1168 O HOH 58 13.457 13.288 21.536 1.00 66.73 O HETATM 1169 O HOH 59 0.140 19.401 17.571 1.00 79.24 O HETATM 1170 O HOH 60 -5.303 9.799 7.161 1.00 45.30 O HETATM 1171 O HOH 61 3.170 22.669 -14.155 1.00 61.21 O HETATM 1172 O HOH 62 0.054 28.919 -1.738 1.00 48.75 O HETATM 1173 O HOH 63 12.966 24.847 4.207 1.00 63.59 O HETATM 1174 O HOH 64 -5.774 18.952 -14.537 1.00 60.45 O HETATM 1175 O HOH 65 -10.697 17.451 10.280 1.00 68.50 O HETATM 1176 O HOH 66 13.458 22.759 10.810 1.00 61.76 O HETATM 1177 O HOH 67 17.013 28.755 -11.879 1.00 57.97 O HETATM 1178 N DLE A 68 -2.586 17.188 13.550 1.00 0.24 N HETATM 1179 CA DLE A 68 -2.331 15.872 12.871 1.00 0.07 C HETATM 1180 CB DLE A 68 -3.007 14.715 13.621 1.00 0.01 C HETATM 1181 CG DLE A 68 -4.525 14.490 13.449 1.00 -0.04 C HETATM 1182 CD1 DLE A 68 -5.281 15.483 12.566 1.00 -0.06 C HETATM 1183 H8 DLE A 68 -6.345 15.206 12.531 1.00 0.02 H HETATM 1184 H9 DLE A 68 -4.863 15.461 11.549 1.00 0.02 H HETATM 1185 H10 DLE A 68 -5.179 16.496 12.983 1.00 0.02 H HETATM 1186 CD2 DLE A 68 -4.814 13.068 12.958 1.00 -0.06 C HETATM 1187 H11 DLE A 68 -4.274 12.346 13.588 1.00 0.02 H HETATM 1188 H12 DLE A 68 -4.481 12.966 11.915 1.00 0.02 H HETATM 1189 H13 DLE A 68 -5.895 12.871 13.019 1.00 0.02 H HETATM 1190 H7 DLE A 68 -4.958 14.585 14.456 1.00 0.03 H HETATM 1191 H5 DLE A 68 -2.826 14.878 14.694 1.00 0.03 H HETATM 1192 H6 DLE A 68 -2.507 13.789 13.301 1.00 0.03 H HETATM 1193 C DLE A 68 -0.853 15.577 12.824 1.00 0.23 C HETATM 1194 O DLE A 68 -0.203 15.417 13.873 1.00 -0.39 O HETATM 1195 N DLE A 68 -0.297 15.455 11.619 1.00 -0.26 N HETATM 1196 CA DLE A 68 1.104 15.005 11.470 1.00 0.14 C HETATM 1197 CB DLE A 68 1.574 15.024 10.013 1.00 0.00 C HETATM 1198 CG DLE A 68 0.953 14.027 9.063 1.00 -0.04 C HETATM 1199 CD1 DLE A 68 -0.005 14.316 8.077 1.00 0.02 C HETATM 1200 NE1 DLE A 68 -0.309 13.172 7.369 1.00 -0.29 N HETATM 1201 CE2 DLE A 68 0.388 12.106 7.838 1.00 0.06 C HETATM 1202 CZ2 DLE A 68 0.428 10.758 7.516 1.00 -0.04 C HETATM 1203 CH2 DLE A 68 1.275 9.864 8.187 1.00 -0.08 C HETATM 1204 CZ3 DLE A 68 2.094 10.322 9.208 1.00 -0.08 C HETATM 1205 CE3 DLE A 68 2.079 11.662 9.605 1.00 -0.07 C HETATM 1206 CD2 DLE A 68 1.235 12.573 8.948 1.00 -0.02 C HETATM 1207 H23 DLE A 68 2.716 11.997 10.416 1.00 0.05 H HETATM 1208 H22 DLE A 68 2.759 9.627 9.708 1.00 0.05 H HETATM 1209 H21 DLE A 68 1.289 8.817 7.908 1.00 0.05 H HETATM 1210 H20 DLE A 68 -0.212 10.385 6.725 1.00 0.05 H HETATM 1211 H19 DLE A 68 -0.978 13.132 6.587 1.00 0.22 H HETATM 1212 H18 DLE A 68 -0.443 15.297 7.898 1.00 0.08 H HETATM 1213 H16 DLE A 68 2.659 14.844 10.015 1.00 0.04 H HETATM 1214 H17 DLE A 68 1.370 16.029 9.615 1.00 0.04 H HETATM 1215 C DLE A 68 1.344 13.641 12.094 1.00 0.21 C HETATM 1216 O DLE A 68 2.449 13.361 12.569 1.00 -0.39 O HETATM 1217 N DLE A 68 0.302 12.809 12.157 1.00 -0.26 N HETATM 1218 CA DLE A 68 0.424 11.433 12.652 1.00 0.13 C HETATM 1219 C DLE A 68 0.621 11.422 14.165 1.00 0.20 C HETATM 1220 O DLE A 68 1.223 10.479 14.694 1.00 -0.39 O HETATM 1221 N DLE A 68 0.121 12.443 14.872 1.00 -0.26 N HETATM 1222 CA DLE A 68 0.390 12.587 16.322 1.00 0.14 C HETATM 1223 C DLE A 68 1.852 12.892 16.576 1.00 0.21 C HETATM 1224 O DLE A 68 2.414 12.416 17.560 1.00 -0.39 O HETATM 1225 N DLE A 68 2.495 13.658 15.693 1.00 -0.26 N HETATM 1226 CA DLE A 68 3.948 13.862 15.787 1.00 0.13 C HETATM 1227 C DLE A 68 4.678 12.591 15.433 1.00 0.20 C HETATM 1228 O DLE A 68 5.672 12.249 16.083 1.00 -0.39 O HETATM 1229 N DLE A 68 4.192 11.888 14.413 1.00 -0.26 N HETATM 1230 CA DLE A 68 4.811 10.630 13.951 1.00 0.13 C HETATM 1231 CB DLE A 68 4.194 10.191 12.628 1.00 -0.02 C HETATM 1232 H47 DLE A 68 4.665 9.254 12.297 1.00 0.03 H HETATM 1233 H48 DLE A 68 4.358 10.971 11.870 1.00 0.03 H HETATM 1234 H49 DLE A 68 3.114 10.031 12.762 1.00 0.03 H HETATM 1235 C DLE A 68 4.713 9.462 14.909 1.00 0.20 C HETATM 1236 O DLE A 68 5.395 8.451 14.693 1.00 -0.39 O HETATM 1237 N DLE A 68 3.883 9.572 15.956 1.00 -0.26 N HETATM 1238 CA DLE A 68 3.778 8.535 16.999 1.00 0.16 C HETATM 1239 CB DLE A 68 2.404 7.869 16.885 1.00 0.09 C HETATM 1240 CG2 DLE A 68 2.274 7.148 15.542 1.00 -0.03 C HETATM 1241 H53 DLE A 68 1.283 6.675 15.474 1.00 0.03 H HETATM 1242 H54 DLE A 68 3.055 6.377 15.463 1.00 0.03 H HETATM 1243 H55 DLE A 68 2.391 7.874 14.723 1.00 0.03 H HETATM 1244 OG1 DLE A 68 1.356 8.843 17.003 1.00 -0.39 O HETATM 1245 H56 DLE A 68 1.429 9.472 16.295 1.00 0.21 H HETATM 1246 H52 DLE A 68 2.300 7.134 17.697 1.00 0.06 H HETATM 1247 C DLE A 68 4.016 9.118 18.372 1.00 0.21 C HETATM 1248 O DLE A 68 3.601 8.536 19.362 1.00 -0.39 O HETATM 1249 N DLE A 68 4.733 10.244 18.430 1.00 -0.26 N HETATM 1250 CA DLE A 68 5.043 10.948 19.683 1.00 0.14 C HETATM 1251 CB DLE A 68 5.831 12.230 19.373 1.00 0.00 C HETATM 1252 CG DLE A 68 6.201 12.972 20.643 1.00 -0.04 C HETATM 1253 CD1 DLE A 68 5.411 13.895 21.319 1.00 0.02 C HETATM 1254 NE1 DLE A 68 6.057 14.365 22.428 1.00 -0.29 N HETATM 1255 CE2 DLE A 68 7.273 13.808 22.569 1.00 0.06 C HETATM 1256 CZ2 DLE A 68 8.305 13.935 23.504 1.00 -0.04 C HETATM 1257 CH2 DLE A 68 9.479 13.187 23.351 1.00 -0.08 C HETATM 1258 CZ3 DLE A 68 9.641 12.301 22.273 1.00 -0.08 C HETATM 1259 CE3 DLE A 68 8.632 12.143 21.312 1.00 -0.07 C HETATM 1260 CD2 DLE A 68 7.456 12.880 21.439 1.00 -0.02 C HETATM 1261 H66 DLE A 68 8.765 11.458 20.483 1.00 0.05 H HETATM 1262 H65 DLE A 68 10.559 11.731 22.183 1.00 0.05 H HETATM 1263 H64 DLE A 68 10.277 13.294 24.077 1.00 0.05 H HETATM 1264 H63 DLE A 68 8.197 14.611 24.345 1.00 0.05 H HETATM 1265 H62 DLE A 68 5.661 15.061 23.076 1.00 0.22 H HETATM 1266 H61 DLE A 68 4.414 14.202 21.007 1.00 0.08 H HETATM 1267 H59 DLE A 68 5.213 12.886 18.742 1.00 0.04 H HETATM 1268 H60 DLE A 68 6.752 11.963 18.833 1.00 0.04 H HETATM 1269 C DLE A 68 5.904 10.075 20.558 1.00 0.20 C HETATM 1270 O DLE A 68 6.888 9.508 20.074 1.00 -0.39 O HETATM 1271 N DLE A 68 5.535 9.967 21.844 1.00 -0.27 N HETATM 1272 CA DLE A 68 6.312 9.223 22.863 1.00 0.09 C HETATM 1273 C DLE A 68 6.348 10.040 24.130 1.00 0.06 C HETATM 1274 O DLE A 68 7.383 10.593 24.474 1.00 -0.57 O HETATM 1275 O1 DLE A 68 5.310 10.153 24.835 1.00 -0.57 O HETATM 1276 CB DLE A 68 5.748 7.834 23.215 1.00 -0.02 C HETATM 1277 CG DLE A 68 5.346 7.003 21.992 1.00 -0.04 C HETATM 1278 CD DLE A 68 5.986 5.615 21.873 1.00 -0.01 C HETATM 1279 CE DLE A 68 5.815 5.101 20.437 1.00 -0.04 C HETATM 1280 NZ DLE A 68 5.237 3.769 20.395 1.00 0.22 N HETATM 1281 H77 DLE A 68 5.144 3.473 19.436 1.00 0.20 H HETATM 1282 H78 DLE A 68 4.329 3.783 20.832 1.00 0.20 H HETATM 1283 H79 DLE A 68 5.837 3.127 20.888 1.00 0.20 H HETATM 1284 H75 DLE A 68 6.801 5.074 19.951 1.00 0.08 H HETATM 1285 H76 DLE A 68 5.155 5.791 19.890 1.00 0.08 H HETATM 1286 H73 DLE A 68 5.495 4.922 22.572 1.00 0.03 H HETATM 1287 H74 DLE A 68 7.057 5.682 22.114 1.00 0.03 H HETATM 1288 H71 DLE A 68 5.619 7.576 21.093 1.00 0.03 H HETATM 1289 H72 DLE A 68 4.255 6.867 22.023 1.00 0.03 H HETATM 1290 H69 DLE A 68 4.859 7.971 23.849 1.00 0.03 H HETATM 1291 H70 DLE A 68 6.516 7.279 23.774 1.00 0.03 H HETATM 1292 H68 DLE A 68 7.336 9.092 22.483 1.00 0.07 H HETATM 1293 H67 DLE A 68 4.688 10.414 22.131 1.00 0.19 H HETATM 1294 H58 DLE A 68 4.109 11.199 20.206 1.00 0.08 H HETATM 1295 H57 DLE A 68 5.078 10.629 17.574 1.00 0.19 H HETATM 1296 H51 DLE A 68 4.550 7.773 16.816 1.00 0.08 H HETATM 1297 H50 DLE A 68 3.312 10.390 16.033 1.00 0.19 H HETATM 1298 H46 DLE A 68 5.879 10.837 13.789 1.00 0.08 H HETATM 1299 H45 DLE A 68 3.377 12.225 13.942 1.00 0.19 H HETATM 1300 CB DLE A 68 4.483 14.971 14.879 1.00 -0.00 C HETATM 1301 CG DLE A 68 3.897 16.350 15.183 1.00 0.00 C HETATM 1302 CD DLE A 68 4.212 16.833 16.570 1.00 0.04 C HETATM 1303 OE1 DLE A 68 5.352 16.643 17.045 1.00 -0.57 O HETATM 1304 OE2 DLE A 68 3.307 17.423 17.197 1.00 -0.57 O HETATM 1305 H43 DLE A 68 2.804 16.298 15.070 1.00 0.04 H HETATM 1306 H44 DLE A 68 4.306 17.071 14.460 1.00 0.04 H HETATM 1307 H41 DLE A 68 4.242 14.713 13.837 1.00 0.03 H HETATM 1308 H42 DLE A 68 5.575 15.023 15.001 1.00 0.03 H HETATM 1309 H40 DLE A 68 4.181 14.129 16.828 1.00 0.08 H HETATM 1310 H39 DLE A 68 1.982 14.100 14.957 1.00 0.19 H HETATM 1311 CB DLE A 68 -0.516 13.624 17.005 1.00 0.01 C HETATM 1312 CG DLE A 68 -1.986 13.219 17.007 1.00 -0.00 C HETATM 1313 ND1 DLE A 68 -3.004 14.000 17.423 1.00 -0.33 N HETATM 1314 CE1 DLE A 68 -4.175 13.323 17.291 1.00 0.09 C HETATM 1315 NE2 DLE A 68 -3.900 12.101 16.778 1.00 -0.28 N HETATM 1316 CD2 DLE A 68 -2.562 12.016 16.599 1.00 0.03 C HETATM 1317 H36 DLE A 68 -2.026 11.155 16.203 1.00 0.07 H HETATM 1318 H38 DLE A 68 -4.588 11.366 16.562 1.00 0.24 H HETATM 1319 H37 DLE A 68 -5.163 13.698 17.553 1.00 0.12 H HETATM 1320 H34 DLE A 68 -0.417 14.582 16.473 1.00 0.04 H HETATM 1321 H35 DLE A 68 -0.185 13.747 18.047 1.00 0.04 H HETATM 1322 H33 DLE A 68 0.172 11.614 16.787 1.00 0.08 H HETATM 1323 H32 DLE A 68 -0.447 13.124 14.411 1.00 0.19 H HETATM 1324 CB DLE A 68 -0.689 10.471 12.213 1.00 0.00 C HETATM 1325 CG DLE A 68 -2.038 10.986 11.718 1.00 0.04 C HETATM 1326 CD DLE A 68 -2.131 11.557 10.318 1.00 0.17 C HETATM 1327 OE1 DLE A 68 -2.189 10.872 9.290 1.00 -0.40 O HETATM 1328 NE2 DLE A 68 -2.249 12.872 10.280 1.00 -0.30 N HETATM 1329 H30 DLE A 68 -2.317 13.343 9.400 1.00 0.18 H HETATM 1330 H31 DLE A 68 -2.270 13.397 11.131 1.00 0.18 H HETATM 1331 H28 DLE A 68 -2.357 11.778 12.412 1.00 0.05 H HETATM 1332 H29 DLE A 68 -2.745 10.145 11.772 1.00 0.05 H HETATM 1333 H26 DLE A 68 -0.901 9.826 13.079 1.00 0.03 H HETATM 1334 H27 DLE A 68 -0.270 9.863 11.397 1.00 0.03 H HETATM 1335 H25 DLE A 68 1.350 11.036 12.211 1.00 0.08 H HETATM 1336 H24 DLE A 68 -0.594 13.135 11.856 1.00 0.19 H HETATM 1337 H15 DLE A 68 1.728 15.726 12.019 1.00 0.08 H HETATM 1338 H14 DLE A 68 -0.835 15.671 10.804 1.00 0.19 H HETATM 1339 H4 DLE A 68 -2.727 15.922 11.846 1.00 0.11 H HETATM 1340 H1 DLE A 68 -3.578 17.368 13.572 1.00 0.20 H HETATM 1341 H2 DLE A 68 -2.122 17.924 13.041 1.00 0.20 H HETATM 1342 H3 DLE A 68 -2.229 17.155 14.492 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1178 1179 1340 1341 1342 CONECT 1179 1178 1180 1193 1339 CONECT 1180 1179 1181 1191 1192 CONECT 1181 1180 1182 1186 1190 CONECT 1182 1181 1183 1184 1185 CONECT 1183 1182 CONECT 1184 1182 CONECT 1185 1182 CONECT 1186 1181 1187 1188 1189 CONECT 1187 1186 CONECT 1188 1186 CONECT 1189 1186 CONECT 1190 1181 CONECT 1191 1180 CONECT 1192 1180 CONECT 1193 1179 1194 1195 CONECT 1194 1193 CONECT 1195 1193 1196 1338 CONECT 1196 1195 1197 1215 1337 CONECT 1197 1196 1198 1213 1214 CONECT 1198 1197 1199 1206 CONECT 1199 1198 1200 1212 CONECT 1200 1199 1201 1211 CONECT 1201 1200 1202 1206 CONECT 1202 1201 1203 1210 CONECT 1203 1202 1204 1209 CONECT 1204 1203 1205 1208 CONECT 1205 1204 1206 1207 CONECT 1206 1198 1201 1205 CONECT 1207 1205 CONECT 1208 1204 CONECT 1209 1203 CONECT 1210 1202 CONECT 1211 1200 CONECT 1212 1199 CONECT 1213 1197 CONECT 1214 1197 CONECT 1215 1196 1216 1217 CONECT 1216 1215 CONECT 1217 1215 1218 1336 CONECT 1218 1217 1219 1324 1335 CONECT 1219 1218 1220 1221 CONECT 1220 1219 CONECT 1221 1219 1222 1323 CONECT 1222 1221 1223 1311 1322 CONECT 1223 1222 1224 1225 CONECT 1224 1223 CONECT 1225 1223 1226 1310 CONECT 1226 1225 1227 1300 1309 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 1230 1299 CONECT 1230 1229 1231 1235 1298 CONECT 1231 1230 1232 1233 1234 CONECT 1232 1231 CONECT 1233 1231 CONECT 1234 1231 CONECT 1235 1230 1236 1237 CONECT 1236 1235 CONECT 1237 1235 1238 1297 CONECT 1238 1237 1239 1247 1296 CONECT 1239 1238 1240 1244 1246 CONECT 1240 1239 1241 1242 1243 CONECT 1241 1240 CONECT 1242 1240 CONECT 1243 1240 CONECT 1244 1239 1245 CONECT 1245 1244 CONECT 1246 1239 CONECT 1247 1238 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1295 CONECT 1250 1249 1251 1269 1294 CONECT 1251 1250 1252 1267 1268 CONECT 1252 1251 1253 1260 CONECT 1253 1252 1254 1266 CONECT 1254 1253 1255 1265 CONECT 1255 1254 1256 1260 CONECT 1256 1255 1257 1264 CONECT 1257 1256 1258 1263 CONECT 1258 1257 1259 1262 CONECT 1259 1258 1260 1261 CONECT 1260 1252 1255 1259 CONECT 1261 1259 CONECT 1262 1258 CONECT 1263 1257 CONECT 1264 1256 CONECT 1265 1254 CONECT 1266 1253 CONECT 1267 1251 CONECT 1268 1251 CONECT 1269 1250 1270 1271 CONECT 1270 1269 CONECT 1271 1269 1272 1293 CONECT 1272 1271 1273 1276 1292 CONECT 1273 1272 1274 1275 CONECT 1274 1273 CONECT 1275 1273 CONECT 1276 1272 1277 1290 1291 CONECT 1277 1276 1278 1288 1289 CONECT 1278 1277 1279 1286 1287 CONECT 1279 1278 1280 1284 1285 CONECT 1280 1279 1281 1282 1283 CONECT 1281 1280 CONECT 1282 1280 CONECT 1283 1280 CONECT 1284 1279 CONECT 1285 1279 CONECT 1286 1278 CONECT 1287 1278 CONECT 1288 1277 CONECT 1289 1277 CONECT 1290 1276 CONECT 1291 1276 CONECT 1292 1272 CONECT 1293 1271 CONECT 1294 1250 CONECT 1295 1249 CONECT 1296 1238 CONECT 1297 1237 CONECT 1298 1230 CONECT 1299 1229 CONECT 1300 1226 1301 1307 1308 CONECT 1301 1300 1302 1305 1306 CONECT 1302 1301 1303 1304 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1301 CONECT 1306 1301 CONECT 1307 1300 CONECT 1308 1300 CONECT 1309 1226 CONECT 1310 1225 CONECT 1311 1222 1312 1320 1321 CONECT 1312 1311 1313 1316 CONECT 1313 1312 1314 CONECT 1314 1313 1315 1319 CONECT 1315 1314 1316 1318 CONECT 1316 1312 1315 1317 CONECT 1317 1316 CONECT 1318 1315 CONECT 1319 1314 CONECT 1320 1311 CONECT 1321 1311 CONECT 1322 1222 CONECT 1323 1221 CONECT 1324 1218 1325 1333 1334 CONECT 1325 1324 1326 1331 1332 CONECT 1326 1325 1327 1328 CONECT 1327 1326 CONECT 1328 1326 1329 1330 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1325 CONECT 1332 1325 CONECT 1333 1324 CONECT 1334 1324 CONECT 1335 1218 CONECT 1336 1217 CONECT 1337 1196 CONECT 1338 1195 CONECT 1339 1179 CONECT 1340 1178 CONECT 1341 1178 CONECT 1342 1178 MASTER 0 0 0 0 0 0 0 0 1341 1 169 10 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: 5n8t
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1df8
RCSB PDB
PDBbind
127aa, >1DF8_1|Chains... at 99%
1kl3
RCSB PDB
PDBbind
127aa, >1KL3_1|Chains... at 96%
1kl5
RCSB PDB
PDBbind
127aa, >1KL5_1|Chains... at 96%
1n43
RCSB PDB
PDBbind
127aa, >1N43_1|Chains... at 99%
1n9m
RCSB PDB
PDBbind
127aa, >1N9M_1|Chains... at 99%
1ndj
RCSB PDB
PDBbind
127aa, >1NDJ_1|Chains... at 99%
1rst
RCSB PDB
PDBbind
127aa, >1RST_1|Chain... at 99%
1sld
RCSB PDB
PDBbind
135aa, >1SLD_1|Chain... at 100%
1sle
RCSB PDB
PDBbind
135aa, >1SLE_1|Chains... at 100%
1slg
RCSB PDB
PDBbind
135aa, >1SLG_1|Chains... at 100%
1sre
RCSB PDB
PDBbind
121aa, >1SRE_1|Chains... at 100%
1srg
RCSB PDB
PDBbind
121aa, >1SRG_1|Chains... at 100%
1sri
RCSB PDB
PDBbind
121aa, >1SRI_1|Chains... at 100%
1stp
RCSB PDB
PDBbind
159aa, >1STP_1|Chain... at 100%
1str
RCSB PDB
PDBbind
123aa, >1STR_1|Chains... at 100%
1sts
RCSB PDB
PDBbind
123aa, >1STS_1|Chains... at 100%
1swk
RCSB PDB
PDBbind
127aa, >1SWK_1|Chains... at 99%
1swn
RCSB PDB
PDBbind
127aa, >1SWN_1|Chains... at 99%
1swp
RCSB PDB
PDBbind
127aa, >1SWP_1|Chains... at 99%
1swr
RCSB PDB
PDBbind
127aa, >1SWR_1|Chains... at 99%
1vwf
RCSB PDB
PDBbind
123aa, >1VWF_1|Chain... at 100%
1vwl
RCSB PDB
PDBbind
123aa, >1VWL_1|Chains... at 100%
1vwn
RCSB PDB
PDBbind
123aa, >1VWN_1|Chain... at 100%
2f01
RCSB PDB
PDBbind
127aa, >2F01_1|Chains... at 100%
2gh7
RCSB PDB
PDBbind
127aa, >2GH7_1|Chains... at 100%
2izl
RCSB PDB
PDBbind
123aa, >2IZL_1|Chains... at 100%
3wzn
RCSB PDB
PDBbind
129aa, >3WZN_1|Chains... at 92%
3wzp
RCSB PDB
PDBbind
129aa, >3WZP_1|Chains... at 92%
4y59
RCSB PDB
PDBbind
121aa, >4Y59_1|Chains... at 100%
4y5d
RCSB PDB
PDBbind
122aa, >4Y5D_1|Chains... at 100%
5b5f
RCSB PDB
PDBbind
120aa, >5B5F_1|Chains... at 100%
5b5g
RCSB PDB
PDBbind
120aa, >5B5G_1|Chains... at 100%
5n99
RCSB PDB
PDBbind
183aa, >5N99_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g6g
RCSB PDB
PDBbind
13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1hc9
RCSB PDB
PDBbind
13-mer
1i8h
RCSB PDB
PDBbind
13-mer
1j4p
RCSB PDB
PDBbind
13-mer
1j4q
RCSB PDB
PDBbind
13-mer
1juq
RCSB PDB
PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1oeb
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2v87
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxe
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
5n8t
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Streptavidin
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.61(Å)
Affinity (Kd/Ki/IC50)
Kd=1.84uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 12116-12116
Ligand Properties
Formula
C
5
7
H
8
1
N
1
5
O
1
4
Molecular Weight
1200.350
Exact Mass
1199.610
No. of atoms
167
No. of bonds
171
Polar Surface Area
486.26
LOGP Value
-2.99 (
Computed with XLOGP3
)
0.79 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 5
Canonical SMILES
[NH3+]CCCC[C@H](C(=O)O)NC(=O)[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H]([C@@H](O)C)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)[NH3+])Cc1c[nH]c2c1cccc2)CCC(=O)N)Cc1nc[nH]c1)CCC(=O)O)C
InChI String
InChI=1S/C57H79N15O14/c1-29(2)21-37(59)50(78)69-43(22-32-25-62-38-13-7-5-11-35(32)38)53(81)66-40(16-18-46(60)74)52(80)70-45(24-34-27-61-28-64-34)55(83)67-41(17-19-47(75)76)51(79)65-30(3)49(77)72-48(31(4)73)56(84)71-44(23-33-26-63-39-14-8-6-12-36(33)39)54(82)68-42(57(85)86)15-9-10-20-58/h5-8,11-14,25-31,37,40-45,48,62-63,73H,9-10,15-24,58-59H2,1-4H3,(H2,60,74)(H,61,64)(H,65,79)(H,66,81)(H,67,83)(H,68,82)(H,69,78)(H,70,80)(H,71,84)(H,72,77)(H,75,76)(H,85,86)/p+2/t30-,31+,37-,40-,41-,42-,43-,44-,45-,48-/m1/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):
P22629
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
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