Browse entries in the PDBbind-CN Database
HEADER 6MO8_COMPLEX COMPND 6MO8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 ARG VAL THR ASN GLN LEU GLN TYR LEU HIS LYS VAL VAL SEQRES 2 A 114 MET LYS ALA LEU TRP LYS HIS GLN PHE ALA TRP PRO PHE SEQRES 3 A 114 ARG GLN PRO VAL ASP ALA VAL LYS LEU GLY LEU PRO ASP SEQRES 4 A 114 TYR HIS LYS ILE ILE LYS GLN PRO MET ASP MET GLY THR SEQRES 5 A 114 ILE LYS ARG ARG LEU GLU ASN ASN TYR TYR TRP ALA ALA SEQRES 6 A 114 SER GLU CYS MET GLN ASP PHE ASN THR MET PHE THR ASN SEQRES 7 A 114 CYS TYR ILE TYR ASN LYS PRO THR ASP ASP ILE VAL LEU SEQRES 8 A 114 MET ALA GLN THR LEU GLU LYS ILE PHE LEU GLN LYS VAL SEQRES 9 A 114 ALA SER MET PRO GLN GLU GLU GLN GLU LEU HET JWD A 221 41 ATOM 1 N ARG A 74 65.504 -6.051 13.481 1.00 64.50 N ATOM 2 CA ARG A 74 65.708 -5.368 14.757 1.00 77.58 C ATOM 3 C ARG A 74 65.359 -3.882 14.662 1.00 72.85 C ATOM 4 O ARG A 74 65.503 -3.265 13.605 1.00 67.77 O ATOM 5 CB ARG A 74 67.148 -5.550 15.252 1.00 66.52 C ATOM 6 CG ARG A 74 67.265 -6.388 16.522 1.00 70.61 C ATOM 7 CD ARG A 74 68.039 -5.655 17.616 1.00 75.81 C ATOM 8 NE ARG A 74 69.487 -5.727 17.424 1.00 77.87 N ATOM 9 CZ ARG A 74 70.378 -5.110 18.198 1.00 77.22 C ATOM 10 NH1 ARG A 74 69.970 -4.368 19.221 1.00 75.06 N ATOM 11 NH2 ARG A 74 71.679 -5.232 17.951 1.00 62.61 N ATOM 12 HE ARG A 74 69.844 -6.297 16.631 1.00 0.00 H ATOM 13 HH12 ARG A 74 70.667 -3.887 19.825 1.00 0.00 H ATOM 14 HH11 ARG A 74 68.954 -4.268 19.418 1.00 0.00 H ATOM 15 HH22 ARG A 74 72.371 -4.748 18.558 1.00 0.00 H ATOM 16 HH21 ARG A 74 72.004 -5.811 17.151 1.00 0.00 H ATOM 17 HN3 ARG A 74 66.110 -5.617 12.756 1.00 0.00 H ATOM 18 HN2 ARG A 74 64.507 -5.965 13.199 1.00 0.00 H ATOM 19 HN1 ARG A 74 65.751 -7.056 13.584 1.00 0.00 H ATOM 20 N VAL A 75 64.900 -3.317 15.775 1.00 70.30 N ATOM 21 CA VAL A 75 64.483 -1.918 15.819 1.00 66.68 C ATOM 22 C VAL A 75 64.968 -1.254 17.103 1.00 67.90 C ATOM 23 O VAL A 75 64.480 -1.565 18.190 1.00 63.35 O ATOM 24 CB VAL A 75 62.953 -1.794 15.753 1.00 67.78 C ATOM 25 CG1 VAL A 75 62.533 -0.338 15.874 1.00 68.66 C ATOM 26 CG2 VAL A 75 62.424 -2.411 14.465 1.00 68.70 C ATOM 27 H VAL A 75 64.836 -3.889 16.641 1.00 0.00 H ATOM 28 N THR A 76 65.918 -0.332 16.980 1.00 58.83 N ATOM 29 CA THR A 76 66.549 0.252 18.158 1.00 42.64 C ATOM 30 C THR A 76 66.510 1.776 18.179 1.00 37.46 C ATOM 31 O THR A 76 66.221 2.433 17.175 1.00 39.04 O ATOM 32 CB THR A 76 68.019 -0.184 18.275 1.00 47.43 C ATOM 33 OG1 THR A 76 68.810 0.550 17.329 1.00 41.94 O ATOM 34 CG2 THR A 76 68.159 -1.679 18.003 1.00 56.89 C ATOM 35 HG1 THR A 76 69.756 0.270 17.404 1.00 0.00 H ATOM 36 H THR A 76 66.215 -0.023 16.032 1.00 0.00 H ATOM 37 N ASN A 77 66.805 2.327 19.349 1.00 28.14 N ATOM 38 CA ASN A 77 66.985 3.753 19.515 1.00 33.75 C ATOM 39 C ASN A 77 67.996 4.274 18.496 1.00 33.28 C ATOM 40 O ASN A 77 67.783 5.310 17.865 1.00 29.14 O ATOM 41 CB ASN A 77 67.479 4.041 20.933 1.00 39.32 C ATOM 42 CG ASN A 77 68.779 3.301 21.269 1.00 48.62 C ATOM 43 OD1 ASN A 77 69.056 2.216 20.743 1.00 46.39 O ATOM 44 ND2 ASN A 77 69.580 3.894 22.145 1.00 50.87 N ATOM 45 HD22 ASN A 77 69.308 4.807 22.563 1.00 0.00 H ATOM 46 HD21 ASN A 77 70.480 3.446 22.413 1.00 0.00 H ATOM 47 H ASN A 77 66.911 1.710 20.179 1.00 0.00 H ATOM 48 N GLN A 78 69.090 3.538 18.334 1.00 28.20 N ATOM 49 CA GLN A 78 70.150 3.935 17.406 1.00 32.99 C ATOM 50 C GLN A 78 69.693 3.988 15.950 1.00 29.53 C ATOM 51 O GLN A 78 70.033 4.931 15.226 1.00 25.79 O ATOM 52 CB GLN A 78 71.366 3.009 17.533 1.00 28.97 C ATOM 53 CG GLN A 78 72.107 3.138 18.849 1.00 28.39 C ATOM 54 CD GLN A 78 73.420 2.372 18.844 1.00 36.35 C ATOM 55 OE1 GLN A 78 73.458 1.200 18.487 1.00 43.77 O ATOM 56 NE2 GLN A 78 74.504 3.042 19.225 1.00 34.58 N ATOM 57 HE22 GLN A 78 74.424 4.036 19.520 1.00 0.00 H ATOM 58 HE21 GLN A 78 75.432 2.572 19.228 1.00 0.00 H ATOM 59 H GLN A 78 69.196 2.659 18.879 1.00 0.00 H ATOM 60 N LEU A 79 68.946 2.976 15.514 1.00 28.35 N ATOM 61 CA LEU A 79 68.496 2.925 14.120 1.00 24.72 C ATOM 62 C LEU A 79 67.458 4.007 13.842 1.00 27.75 C ATOM 63 O LEU A 79 67.375 4.537 12.735 1.00 21.93 O ATOM 64 CB LEU A 79 67.943 1.541 13.763 1.00 25.29 C ATOM 65 CG LEU A 79 68.987 0.433 13.599 1.00 30.54 C ATOM 66 CD1 LEU A 79 68.338 -0.936 13.472 1.00 35.76 C ATOM 67 CD2 LEU A 79 69.865 0.720 12.391 1.00 37.41 C ATOM 68 H LEU A 79 68.679 2.214 16.169 1.00 0.00 H ATOM 69 N GLN A 80 66.663 4.343 14.851 1.00 26.72 N ATOM 70 CA GLN A 80 65.692 5.416 14.686 1.00 29.56 C ATOM 71 C GLN A 80 66.391 6.755 14.547 1.00 23.54 C ATOM 72 O GLN A 80 65.952 7.620 13.782 1.00 23.21 O ATOM 73 CB GLN A 80 64.702 5.435 15.855 1.00 27.95 C ATOM 74 CG GLN A 80 63.574 4.449 15.658 1.00 28.45 C ATOM 75 CD GLN A 80 62.821 4.204 16.925 1.00 53.65 C ATOM 76 OE1 GLN A 80 63.380 4.333 18.010 1.00 63.65 O ATOM 77 NE2 GLN A 80 61.545 3.852 16.807 1.00 62.78 N ATOM 78 HE22 GLN A 80 61.117 3.756 15.864 1.00 0.00 H ATOM 79 HE21 GLN A 80 60.974 3.673 17.658 1.00 0.00 H ATOM 80 H GLN A 80 66.734 3.840 15.759 1.00 0.00 H ATOM 81 N TYR A 81 67.477 6.923 15.288 1.00 22.73 N ATOM 82 CA TYR A 81 68.286 8.117 15.162 1.00 25.67 C ATOM 83 C TYR A 81 68.895 8.170 13.756 1.00 24.22 C ATOM 84 O TYR A 81 68.865 9.207 13.096 1.00 21.83 O ATOM 85 CB TYR A 81 69.384 8.126 16.216 1.00 20.48 C ATOM 86 CG TYR A 81 70.258 9.353 16.181 1.00 23.04 C ATOM 87 CD1 TYR A 81 71.380 9.414 15.359 1.00 21.24 C ATOM 88 CD2 TYR A 81 69.967 10.455 16.966 1.00 23.11 C ATOM 89 CE1 TYR A 81 72.190 10.538 15.334 1.00 22.41 C ATOM 90 CE2 TYR A 81 70.774 11.586 16.946 1.00 26.04 C ATOM 91 CZ TYR A 81 71.877 11.623 16.123 1.00 22.78 C ATOM 92 OH TYR A 81 72.679 12.743 16.103 1.00 24.69 O ATOM 93 HH TYR A 81 73.421 12.605 15.463 1.00 0.00 H ATOM 94 H TYR A 81 67.752 6.187 15.969 1.00 0.00 H ATOM 95 N LEU A 82 69.448 7.056 13.297 1.00 21.70 N ATOM 96 CA LEU A 82 70.014 7.044 11.935 1.00 22.19 C ATOM 97 C LEU A 82 68.983 7.389 10.857 1.00 27.46 C ATOM 98 O LEU A 82 69.313 8.011 9.841 1.00 23.61 O ATOM 99 CB LEU A 82 70.679 5.700 11.626 1.00 18.11 C ATOM 100 CG LEU A 82 71.974 5.468 12.415 1.00 23.83 C ATOM 101 CD1 LEU A 82 72.404 4.018 12.325 1.00 26.59 C ATOM 102 CD2 LEU A 82 73.085 6.399 11.930 1.00 37.15 C ATOM 103 H LEU A 82 69.482 6.202 13.889 1.00 0.00 H ATOM 104 N HIS A 83 67.736 6.975 11.069 1.00 21.59 N ATOM 105 CA HIS A 83 66.669 7.253 10.120 1.00 21.45 C ATOM 106 C HIS A 83 66.115 8.675 10.256 1.00 27.47 C ATOM 107 O HIS A 83 66.018 9.411 9.273 1.00 25.92 O ATOM 108 CB HIS A 83 65.541 6.235 10.305 1.00 23.75 C ATOM 109 CG HIS A 83 64.506 6.264 9.226 1.00 33.19 C ATOM 110 ND1 HIS A 83 63.401 5.440 9.240 1.00 48.83 N ATOM 111 CD2 HIS A 83 64.415 6.996 8.092 1.00 35.80 C ATOM 112 CE1 HIS A 83 62.666 5.674 8.168 1.00 46.44 C ATOM 113 NE2 HIS A 83 63.258 6.616 7.455 1.00 32.29 N ATOM 114 H HIS A 83 67.519 6.440 11.934 1.00 0.00 H ATOM 115 N LYS A 84 65.747 9.063 11.475 1.00 26.83 N ATOM 116 CA LYS A 84 65.048 10.334 11.688 1.00 22.41 C ATOM 117 C LYS A 84 65.971 11.552 11.791 1.00 27.33 C ATOM 118 O LYS A 84 65.521 12.684 11.613 1.00 27.11 O ATOM 119 CB LYS A 84 64.168 10.266 12.945 1.00 28.11 C ATOM 120 CG LYS A 84 63.317 9.009 13.067 1.00 29.78 C ATOM 121 CD LYS A 84 62.315 8.867 11.939 1.00 46.70 C ATOM 122 CE LYS A 84 61.604 7.515 12.018 1.00 41.96 C ATOM 123 NZ LYS A 84 60.704 7.284 10.859 1.00 60.67 N ATOM 124 HZ1 LYS A 84 59.979 8.029 10.831 1.00 0.00 H ATOM 125 HZ2 LYS A 84 61.260 7.306 9.980 1.00 0.00 H ATOM 126 HZ3 LYS A 84 60.245 6.356 10.957 1.00 0.00 H ATOM 127 H LYS A 84 65.959 8.454 12.291 1.00 0.00 H ATOM 128 N VAL A 85 67.241 11.332 12.112 1.00 20.86 N ATOM 129 CA VAL A 85 68.193 12.437 12.246 1.00 19.27 C ATOM 130 C VAL A 85 69.220 12.421 11.104 1.00 26.55 C ATOM 131 O VAL A 85 69.374 13.407 10.380 1.00 26.18 O ATOM 132 CB VAL A 85 68.925 12.455 13.617 1.00 22.42 C ATOM 133 CG1 VAL A 85 70.037 13.504 13.615 1.00 23.06 C ATOM 134 CG2 VAL A 85 67.932 12.717 14.758 1.00 27.14 C ATOM 135 H VAL A 85 67.565 10.357 12.271 1.00 0.00 H ATOM 136 N VAL A 86 69.909 11.298 10.932 1.00 22.27 N ATOM 137 CA VAL A 86 70.994 11.247 9.948 1.00 18.92 C ATOM 138 C VAL A 86 70.441 11.190 8.519 1.00 20.16 C ATOM 139 O VAL A 86 70.729 12.063 7.706 1.00 24.42 O ATOM 140 CB VAL A 86 71.964 10.084 10.226 1.00 21.02 C ATOM 141 CG1 VAL A 86 73.099 10.100 9.222 1.00 22.23 C ATOM 142 CG2 VAL A 86 72.533 10.194 11.648 1.00 20.64 C ATOM 143 H VAL A 86 69.678 10.455 11.496 1.00 0.00 H ATOM 144 N MET A 87 69.639 10.179 8.214 1.00 21.03 N ATOM 145 CA MET A 87 69.058 10.085 6.875 1.00 20.54 C ATOM 146 C MET A 87 68.178 11.298 6.550 1.00 26.87 C ATOM 147 O MET A 87 68.194 11.796 5.432 1.00 22.99 O ATOM 148 CB MET A 87 68.288 8.781 6.670 1.00 26.39 C ATOM 149 CG MET A 87 67.728 8.626 5.243 1.00 29.21 C ATOM 150 SD MET A 87 69.002 8.715 3.945 1.00 26.40 S ATOM 151 CE MET A 87 69.728 7.083 4.113 1.00 25.24 C ATOM 152 H MET A 87 69.423 9.453 8.927 1.00 0.00 H ATOM 153 N LYS A 88 67.412 11.786 7.521 1.00 26.02 N ATOM 154 CA LYS A 88 66.574 12.954 7.258 1.00 27.91 C ATOM 155 C LYS A 88 67.404 14.141 6.770 1.00 24.01 C ATOM 156 O LYS A 88 67.062 14.766 5.765 1.00 31.75 O ATOM 157 CB LYS A 88 65.743 13.346 8.486 1.00 30.48 C ATOM 158 CG LYS A 88 64.752 14.469 8.212 1.00 40.36 C ATOM 159 CD LYS A 88 63.444 14.250 8.960 1.00 51.24 C ATOM 160 CE LYS A 88 62.696 13.029 8.434 1.00 60.07 C ATOM 161 NZ LYS A 88 61.477 12.711 9.243 1.00 59.06 N ATOM 162 HZ1 LYS A 88 61.756 12.518 10.226 1.00 0.00 H ATOM 163 HZ2 LYS A 88 60.825 13.521 9.219 1.00 0.00 H ATOM 164 HZ3 LYS A 88 61.006 11.874 8.844 1.00 0.00 H ATOM 165 H LYS A 88 67.409 11.340 8.460 1.00 0.00 H ATOM 166 N ALA A 89 68.494 14.436 7.474 1.00 23.48 N ATOM 167 CA ALA A 89 69.380 15.540 7.123 1.00 27.58 C ATOM 168 C ALA A 89 70.061 15.327 5.772 1.00 29.43 C ATOM 169 O ALA A 89 70.140 16.250 4.962 1.00 26.40 O ATOM 170 CB ALA A 89 70.424 15.745 8.203 1.00 26.25 C ATOM 171 H ALA A 89 68.723 13.857 8.307 1.00 0.00 H ATOM 172 N LEU A 90 70.554 14.114 5.529 1.00 21.32 N ATOM 173 CA LEU A 90 71.270 13.856 4.274 1.00 23.51 C ATOM 174 C LEU A 90 70.367 13.842 3.045 1.00 19.50 C ATOM 175 O LEU A 90 70.721 14.411 2.012 1.00 22.21 O ATOM 176 CB LEU A 90 72.076 12.555 4.351 1.00 18.50 C ATOM 177 CG LEU A 90 73.256 12.544 5.330 1.00 29.24 C ATOM 178 CD1 LEU A 90 74.075 11.271 5.153 1.00 28.19 C ATOM 179 CD2 LEU A 90 74.141 13.760 5.147 1.00 25.85 C ATOM 180 H LEU A 90 70.432 13.352 6.226 1.00 0.00 H ATOM 181 N TRP A 91 69.205 13.197 3.159 1.00 19.09 N ATOM 182 CA TRP A 91 68.320 12.992 2.020 1.00 21.90 C ATOM 183 C TRP A 91 67.841 14.304 1.385 1.00 26.70 C ATOM 184 O TRP A 91 67.735 14.405 0.162 1.00 25.21 O ATOM 185 CB TRP A 91 67.123 12.122 2.428 1.00 24.35 C ATOM 186 CG TRP A 91 66.186 11.797 1.309 1.00 26.28 C ATOM 187 CD1 TRP A 91 65.036 12.460 0.982 1.00 30.99 C ATOM 188 CD2 TRP A 91 66.314 10.725 0.362 1.00 25.89 C ATOM 189 NE1 TRP A 91 64.440 11.864 -0.106 1.00 29.87 N ATOM 190 CE2 TRP A 91 65.204 10.797 -0.504 1.00 25.26 C ATOM 191 CE3 TRP A 91 67.256 9.709 0.168 1.00 28.70 C ATOM 192 CZ2 TRP A 91 65.011 9.896 -1.553 1.00 25.94 C ATOM 193 CZ3 TRP A 91 67.061 8.810 -0.874 1.00 25.89 C ATOM 194 CH2 TRP A 91 65.949 8.909 -1.719 1.00 30.03 C ATOM 195 HE1 TRP A 91 63.554 12.173 -0.554 1.00 0.00 H ATOM 196 H TRP A 91 68.922 12.829 4.090 1.00 0.00 H ATOM 197 N LYS A 92 67.573 15.316 2.205 1.00 25.74 N ATOM 198 CA LYS A 92 67.031 16.560 1.659 1.00 26.24 C ATOM 199 C LYS A 92 68.105 17.579 1.298 1.00 28.90 C ATOM 200 O LYS A 92 67.799 18.645 0.764 1.00 25.93 O ATOM 201 CB LYS A 92 66.017 17.180 2.623 1.00 30.77 C ATOM 202 CG LYS A 92 66.608 17.566 3.951 1.00 29.24 C ATOM 203 CD LYS A 92 65.501 17.983 4.916 1.00 44.81 C ATOM 204 CE LYS A 92 66.068 18.445 6.248 1.00 45.00 C ATOM 205 NZ LYS A 92 67.114 19.500 6.100 1.00 50.57 N ATOM 206 HZ1 LYS A 92 67.902 19.128 5.532 1.00 0.00 H ATOM 207 HZ2 LYS A 92 66.704 20.329 5.625 1.00 0.00 H ATOM 208 HZ3 LYS A 92 67.463 19.775 7.040 1.00 0.00 H ATOM 209 H LYS A 92 67.747 15.224 3.226 1.00 0.00 H ATOM 210 N HIS A 93 69.363 17.255 1.583 1.00 20.40 N ATOM 211 CA HIS A 93 70.459 18.169 1.292 1.00 20.76 C ATOM 212 C HIS A 93 70.527 18.507 -0.201 1.00 19.75 C ATOM 213 O HIS A 93 70.204 17.676 -1.036 1.00 19.47 O ATOM 214 CB HIS A 93 71.789 17.581 1.774 1.00 21.67 C ATOM 215 CG HIS A 93 72.903 18.575 1.817 1.00 19.69 C ATOM 216 ND1 HIS A 93 73.599 18.962 0.692 1.00 20.11 N ATOM 217 CD2 HIS A 93 73.439 19.267 2.851 1.00 23.35 C ATOM 218 CE1 HIS A 93 74.515 19.852 1.030 1.00 20.84 C ATOM 219 NE2 HIS A 93 74.433 20.061 2.334 1.00 22.71 N ATOM 220 H HIS A 93 69.567 16.334 2.021 1.00 0.00 H ATOM 221 N GLN A 94 70.943 19.730 -0.528 1.00 18.76 N ATOM 222 CA GLN A 94 70.990 20.155 -1.925 1.00 19.89 C ATOM 223 C GLN A 94 72.046 19.431 -2.771 1.00 20.30 C ATOM 224 O GLN A 94 71.982 19.461 -4.010 1.00 19.09 O ATOM 225 CB GLN A 94 71.187 21.670 -2.022 1.00 24.35 C ATOM 226 CG GLN A 94 72.500 22.160 -1.438 1.00 21.22 C ATOM 227 CD GLN A 94 72.668 23.650 -1.640 1.00 38.77 C ATOM 228 OE1 GLN A 94 72.229 24.199 -2.650 1.00 33.34 O ATOM 229 NE2 GLN A 94 73.282 24.316 -0.673 1.00 34.14 N ATOM 230 HE22 GLN A 94 73.637 23.809 0.163 1.00 0.00 H ATOM 231 HE21 GLN A 94 73.409 25.345 -0.750 1.00 0.00 H ATOM 232 H GLN A 94 71.238 20.390 0.220 1.00 0.00 H ATOM 233 N PHE A 95 72.994 18.763 -2.114 1.00 22.69 N ATOM 234 CA PHE A 95 73.999 17.970 -2.833 1.00 21.86 C ATOM 235 C PHE A 95 73.643 16.478 -2.850 1.00 19.35 C ATOM 236 O PHE A 95 74.426 15.658 -3.329 1.00 17.65 O ATOM 237 CB PHE A 95 75.394 18.115 -2.202 1.00 17.29 C ATOM 238 CG PHE A 95 76.011 19.487 -2.335 1.00 19.95 C ATOM 239 CD1 PHE A 95 75.547 20.402 -3.270 1.00 23.50 C ATOM 240 CD2 PHE A 95 77.079 19.847 -1.524 1.00 21.52 C ATOM 241 CE1 PHE A 95 76.140 21.663 -3.370 1.00 20.60 C ATOM 242 CE2 PHE A 95 77.666 21.098 -1.623 1.00 25.93 C ATOM 243 CZ PHE A 95 77.190 22.006 -2.543 1.00 24.36 C ATOM 244 H PHE A 95 73.022 18.804 -1.075 1.00 0.00 H ATOM 245 N ALA A 96 72.480 16.115 -2.322 1.00 17.29 N ATOM 246 CA ALA A 96 72.137 14.693 -2.173 1.00 19.39 C ATOM 247 C ALA A 96 71.671 13.995 -3.450 1.00 15.88 C ATOM 248 O ALA A 96 71.765 12.771 -3.567 1.00 17.65 O ATOM 249 CB ALA A 96 71.093 14.510 -1.077 1.00 23.79 C ATOM 250 H ALA A 96 71.806 16.843 -2.011 1.00 0.00 H ATOM 251 N TRP A 97 71.169 14.759 -4.413 1.00 17.39 N ATOM 252 CA TRP A 97 70.469 14.133 -5.535 1.00 21.14 C ATOM 253 C TRP A 97 71.255 13.032 -6.294 1.00 18.69 C ATOM 254 O TRP A 97 70.665 12.026 -6.688 1.00 23.02 O ATOM 255 CB TRP A 97 69.885 15.198 -6.472 1.00 21.50 C ATOM 256 CG TRP A 97 70.918 16.048 -7.100 1.00 21.79 C ATOM 257 CD1 TRP A 97 71.461 17.197 -6.594 1.00 22.19 C ATOM 258 CD2 TRP A 97 71.558 15.814 -8.348 1.00 25.47 C ATOM 259 NE1 TRP A 97 72.403 17.695 -7.464 1.00 24.04 N ATOM 260 CE2 TRP A 97 72.484 16.859 -8.546 1.00 23.54 C ATOM 261 CE3 TRP A 97 71.442 14.818 -9.323 1.00 24.97 C ATOM 262 CZ2 TRP A 97 73.282 16.941 -9.683 1.00 29.96 C ATOM 263 CZ3 TRP A 97 72.235 14.902 -10.444 1.00 29.53 C ATOM 264 CH2 TRP A 97 73.141 15.954 -10.617 1.00 30.28 C ATOM 265 HE1 TRP A 97 72.961 18.562 -7.324 1.00 0.00 H ATOM 266 H TRP A 97 71.272 15.793 -4.370 1.00 0.00 H ATOM 267 N PRO A 98 72.585 13.189 -6.479 1.00 18.22 N ATOM 268 CA PRO A 98 73.244 12.095 -7.205 1.00 18.53 C ATOM 269 C PRO A 98 73.345 10.803 -6.400 1.00 21.39 C ATOM 270 O PRO A 98 73.672 9.771 -6.989 1.00 19.98 O ATOM 271 CB PRO A 98 74.661 12.625 -7.465 1.00 21.44 C ATOM 272 CG PRO A 98 74.584 14.117 -7.213 1.00 21.49 C ATOM 273 CD PRO A 98 73.526 14.270 -6.151 1.00 22.13 C ATOM 274 N PHE A 99 73.082 10.865 -5.095 1.00 16.98 N ATOM 275 CA PHE A 99 73.230 9.709 -4.225 1.00 17.10 C ATOM 276 C PHE A 99 71.890 9.081 -3.831 1.00 22.53 C ATOM 277 O PHE A 99 71.872 8.124 -3.074 1.00 20.07 O ATOM 278 CB PHE A 99 73.978 10.117 -2.947 1.00 17.55 C ATOM 279 CG PHE A 99 75.333 10.702 -3.198 1.00 20.26 C ATOM 280 CD1 PHE A 99 76.444 9.878 -3.325 1.00 22.20 C ATOM 281 CD2 PHE A 99 75.506 12.079 -3.289 1.00 19.40 C ATOM 282 CE1 PHE A 99 77.715 10.426 -3.556 1.00 23.95 C ATOM 283 CE2 PHE A 99 76.774 12.627 -3.513 1.00 21.37 C ATOM 284 CZ PHE A 99 77.872 11.802 -3.647 1.00 19.38 C ATOM 285 H PHE A 99 72.762 11.766 -4.687 1.00 0.00 H ATOM 286 N ARG A 100 70.774 9.620 -4.321 1.00 21.12 N ATOM 287 CA ARG A 100 69.451 9.094 -3.926 1.00 19.91 C ATOM 288 C ARG A 100 69.030 7.784 -4.605 1.00 24.68 C ATOM 289 O ARG A 100 67.991 7.208 -4.261 1.00 21.77 O ATOM 290 CB ARG A 100 68.358 10.146 -4.129 1.00 20.79 C ATOM 291 CG ARG A 100 68.493 11.367 -3.226 1.00 20.71 C ATOM 292 CD ARG A 100 67.326 12.330 -3.465 1.00 30.41 C ATOM 293 NE ARG A 100 67.426 13.531 -2.642 1.00 30.39 N ATOM 294 CZ ARG A 100 67.204 14.762 -3.090 1.00 31.82 C ATOM 295 NH1 ARG A 100 66.860 14.958 -4.358 1.00 31.72 N ATOM 296 NH2 ARG A 100 67.324 15.801 -2.272 1.00 32.16 N ATOM 297 HE ARG A 100 67.687 13.416 -1.642 1.00 0.00 H ATOM 298 HH12 ARG A 100 66.687 15.922 -4.707 1.00 0.00 H ATOM 299 HH11 ARG A 100 66.764 14.147 -5.002 1.00 0.00 H ATOM 300 HH22 ARG A 100 67.150 16.764 -2.625 1.00 0.00 H ATOM 301 HH21 ARG A 100 67.592 15.652 -1.278 1.00 0.00 H ATOM 302 H ARG A 100 70.835 10.417 -4.986 1.00 0.00 H ATOM 303 N GLN A 101 69.819 7.328 -5.572 1.00 21.98 N ATOM 304 CA GLN A 101 69.532 6.084 -6.282 1.00 24.74 C ATOM 305 C GLN A 101 70.858 5.449 -6.691 1.00 22.63 C ATOM 306 O GLN A 101 71.884 6.128 -6.703 1.00 20.17 O ATOM 307 CB GLN A 101 68.685 6.367 -7.531 1.00 22.64 C ATOM 308 CG GLN A 101 69.327 7.321 -8.525 1.00 22.06 C ATOM 309 CD GLN A 101 69.341 8.775 -8.037 1.00 29.49 C ATOM 310 OE1 GLN A 101 68.318 9.307 -7.578 1.00 27.27 O ATOM 311 NE2 GLN A 101 70.499 9.420 -8.140 1.00 25.66 N ATOM 312 HE22 GLN A 101 71.332 8.935 -8.531 1.00 0.00 H ATOM 313 HE21 GLN A 101 70.572 10.410 -7.830 1.00 0.00 H ATOM 314 H GLN A 101 70.666 7.873 -5.831 1.00 0.00 H ATOM 315 N PRO A 102 70.848 4.148 -7.025 1.00 19.40 N ATOM 316 CA PRO A 102 72.108 3.544 -7.462 1.00 20.23 C ATOM 317 C PRO A 102 72.714 4.265 -8.653 1.00 22.47 C ATOM 318 O PRO A 102 72.004 4.794 -9.518 1.00 22.27 O ATOM 319 CB PRO A 102 71.700 2.118 -7.863 1.00 22.19 C ATOM 320 CG PRO A 102 70.474 1.842 -7.066 1.00 26.29 C ATOM 321 CD PRO A 102 69.754 3.167 -6.971 1.00 24.56 C ATOM 322 N VAL A 103 74.039 4.279 -8.695 1.00 21.07 N ATOM 323 CA VAL A 103 74.752 4.748 -9.867 1.00 19.84 C ATOM 324 C VAL A 103 74.296 3.924 -11.074 1.00 22.95 C ATOM 325 O VAL A 103 74.388 2.699 -11.073 1.00 20.48 O ATOM 326 CB VAL A 103 76.281 4.594 -9.689 1.00 22.28 C ATOM 327 CG1 VAL A 103 77.014 4.932 -10.996 1.00 24.99 C ATOM 328 CG2 VAL A 103 76.790 5.469 -8.528 1.00 21.93 C ATOM 329 H VAL A 103 74.578 3.947 -7.870 1.00 0.00 H ATOM 330 N ASP A 104 73.806 4.600 -12.103 1.00 22.08 N ATOM 331 CA ASP A 104 73.374 3.910 -13.319 1.00 25.59 C ATOM 332 C ASP A 104 74.485 4.028 -14.360 1.00 21.00 C ATOM 333 O ASP A 104 74.632 5.060 -14.990 1.00 21.59 O ATOM 334 CB ASP A 104 72.064 4.536 -13.826 1.00 25.38 C ATOM 335 CG ASP A 104 71.514 3.837 -15.064 1.00 38.89 C ATOM 336 OD1 ASP A 104 72.288 3.148 -15.756 1.00 23.99 O ATOM 337 OD2 ASP A 104 70.308 3.989 -15.350 1.00 30.54 O ATOM 338 H ASP A 104 73.727 5.635 -12.046 1.00 0.00 H ATOM 339 N ALA A 105 75.277 2.973 -14.527 1.00 18.93 N ATOM 340 CA ALA A 105 76.475 3.032 -15.371 1.00 19.51 C ATOM 341 C ALA A 105 76.164 3.180 -16.856 1.00 25.78 C ATOM 342 O ALA A 105 76.985 3.673 -17.614 1.00 25.20 O ATOM 343 CB ALA A 105 77.370 1.808 -15.131 1.00 28.98 C ATOM 344 H ALA A 105 75.040 2.082 -14.046 1.00 0.00 H ATOM 345 N VAL A 106 74.978 2.760 -17.273 1.00 28.78 N ATOM 346 CA VAL A 106 74.584 2.947 -18.669 1.00 27.84 C ATOM 347 C VAL A 106 74.215 4.417 -18.919 1.00 24.45 C ATOM 348 O VAL A 106 74.726 5.066 -19.839 1.00 23.56 O ATOM 349 CB VAL A 106 73.414 2.024 -19.042 1.00 25.00 C ATOM 350 CG1 VAL A 106 72.983 2.268 -20.500 1.00 27.38 C ATOM 351 CG2 VAL A 106 73.785 0.561 -18.825 1.00 30.08 C ATOM 352 H VAL A 106 74.327 2.297 -16.607 1.00 0.00 H ATOM 353 N LYS A 107 73.343 4.944 -18.068 1.00 23.38 N ATOM 354 CA LYS A 107 72.934 6.346 -18.144 1.00 23.79 C ATOM 355 C LYS A 107 74.124 7.303 -18.090 1.00 22.53 C ATOM 356 O LYS A 107 74.198 8.264 -18.864 1.00 25.23 O ATOM 357 CB LYS A 107 71.950 6.651 -17.010 1.00 22.06 C ATOM 358 CG LYS A 107 71.518 8.112 -16.915 1.00 28.29 C ATOM 359 CD LYS A 107 70.432 8.238 -15.862 1.00 30.52 C ATOM 360 CE LYS A 107 70.539 9.534 -15.089 1.00 49.46 C ATOM 361 NZ LYS A 107 69.591 9.531 -13.940 1.00 54.32 N ATOM 362 HZ1 LYS A 107 68.619 9.426 -14.294 1.00 0.00 H ATOM 363 HZ2 LYS A 107 69.818 8.738 -13.307 1.00 0.00 H ATOM 364 HZ3 LYS A 107 69.676 10.427 -13.419 1.00 0.00 H ATOM 365 H LYS A 107 72.938 4.341 -17.324 1.00 0.00 H ATOM 366 N LEU A 108 75.067 7.033 -17.183 1.00 23.07 N ATOM 367 CA LEU A 108 76.236 7.901 -16.999 1.00 21.69 C ATOM 368 C LEU A 108 77.407 7.578 -17.920 1.00 25.86 C ATOM 369 O LEU A 108 78.395 8.310 -17.944 1.00 33.32 O ATOM 370 CB LEU A 108 76.716 7.870 -15.537 1.00 17.97 C ATOM 371 CG LEU A 108 75.690 8.326 -14.493 1.00 26.60 C ATOM 372 CD1 LEU A 108 76.134 7.965 -13.071 1.00 24.83 C ATOM 373 CD2 LEU A 108 75.427 9.815 -14.592 1.00 30.58 C ATOM 374 H LEU A 108 74.970 6.184 -16.591 1.00 0.00 H ATOM 375 N GLY A 109 77.310 6.494 -18.678 1.00 29.43 N ATOM 376 CA GLY A 109 78.371 6.153 -19.620 1.00 33.31 C ATOM 377 C GLY A 109 79.674 5.745 -18.952 1.00 34.00 C ATOM 378 O GLY A 109 80.747 6.232 -19.314 1.00 32.29 O ATOM 379 H GLY A 109 76.472 5.883 -18.600 1.00 0.00 H ATOM 380 N LEU A 110 79.571 4.844 -17.978 1.00 26.97 N ATOM 381 CA LEU A 110 80.714 4.393 -17.186 1.00 27.41 C ATOM 382 C LEU A 110 80.837 2.877 -17.245 1.00 27.30 C ATOM 383 O LEU A 110 80.508 2.188 -16.287 1.00 26.74 O ATOM 384 CB LEU A 110 80.525 4.821 -15.727 1.00 27.79 C ATOM 385 CG LEU A 110 80.117 6.271 -15.472 1.00 26.68 C ATOM 386 CD1 LEU A 110 79.750 6.481 -14.003 1.00 32.40 C ATOM 387 CD2 LEU A 110 81.214 7.229 -15.895 1.00 27.73 C ATOM 388 H LEU A 110 78.634 4.442 -17.771 1.00 0.00 H ATOM 389 N PRO A 111 81.324 2.346 -18.374 1.00 32.96 N ATOM 390 CA PRO A 111 81.335 0.894 -18.591 1.00 32.44 C ATOM 391 C PRO A 111 82.217 0.130 -17.602 1.00 32.42 C ATOM 392 O PRO A 111 82.062 -1.087 -17.444 1.00 35.11 O ATOM 393 CB PRO A 111 81.870 0.755 -20.027 1.00 35.83 C ATOM 394 CG PRO A 111 82.622 2.015 -20.280 1.00 36.01 C ATOM 395 CD PRO A 111 81.917 3.089 -19.500 1.00 32.41 C ATOM 396 N ASP A 112 83.124 0.835 -16.933 1.00 27.67 N ATOM 397 CA ASP A 112 84.014 0.192 -15.974 1.00 30.91 C ATOM 398 C ASP A 112 83.557 0.349 -14.526 1.00 28.71 C ATOM 399 O ASP A 112 84.217 -0.144 -13.610 1.00 24.04 O ATOM 400 CB ASP A 112 85.437 0.731 -16.132 1.00 33.68 C ATOM 401 CG ASP A 112 85.582 2.162 -15.638 1.00 36.08 C ATOM 402 OD1 ASP A 112 84.567 2.882 -15.536 1.00 29.32 O ATOM 403 OD2 ASP A 112 86.725 2.572 -15.350 1.00 46.32 O ATOM 404 H ASP A 112 83.200 1.859 -17.096 1.00 0.00 H ATOM 405 N TYR A 113 82.437 1.034 -14.304 1.00 30.71 N ATOM 406 CA TYR A 113 81.997 1.281 -12.924 1.00 28.21 C ATOM 407 C TYR A 113 81.912 0.016 -12.065 1.00 23.51 C ATOM 408 O TYR A 113 82.441 -0.026 -10.955 1.00 22.49 O ATOM 409 CB TYR A 113 80.674 2.068 -12.851 1.00 20.50 C ATOM 410 CG TYR A 113 80.335 2.441 -11.416 1.00 22.36 C ATOM 411 CD1 TYR A 113 80.917 3.553 -10.818 1.00 20.40 C ATOM 412 CD2 TYR A 113 79.465 1.668 -10.654 1.00 22.77 C ATOM 413 CE1 TYR A 113 80.635 3.892 -9.485 1.00 16.51 C ATOM 414 CE2 TYR A 113 79.179 1.999 -9.325 1.00 21.33 C ATOM 415 CZ TYR A 113 79.763 3.115 -8.754 1.00 19.35 C ATOM 416 OH TYR A 113 79.482 3.441 -7.442 1.00 20.88 O ATOM 417 HH TYR A 113 79.978 4.261 -7.193 1.00 0.00 H ATOM 418 H TYR A 113 81.876 1.392 -15.103 1.00 0.00 H ATOM 419 N HIS A 114 81.246 -1.018 -12.569 1.00 22.96 N ATOM 420 CA HIS A 114 81.047 -2.231 -11.794 1.00 25.04 C ATOM 421 C HIS A 114 82.267 -3.148 -11.779 1.00 25.76 C ATOM 422 O HIS A 114 82.314 -4.104 -11.003 1.00 26.74 O ATOM 423 CB HIS A 114 79.788 -2.954 -12.270 1.00 26.43 C ATOM 424 CG HIS A 114 78.542 -2.164 -12.031 1.00 26.45 C ATOM 425 ND1 HIS A 114 77.978 -2.037 -10.781 1.00 26.44 N ATOM 426 CD2 HIS A 114 77.784 -1.417 -12.867 1.00 24.82 C ATOM 427 CE1 HIS A 114 76.909 -1.265 -10.859 1.00 26.08 C ATOM 428 NE2 HIS A 114 76.769 -0.875 -12.114 1.00 24.72 N ATOM 429 H HIS A 114 80.861 -0.958 -13.533 1.00 0.00 H ATOM 430 N LYS A 115 83.251 -2.832 -12.618 1.00 26.08 N ATOM 431 CA LYS A 115 84.547 -3.511 -12.573 1.00 26.42 C ATOM 432 C LYS A 115 85.321 -3.011 -11.355 1.00 32.78 C ATOM 433 O LYS A 115 86.025 -3.765 -10.690 1.00 33.12 O ATOM 434 CB LYS A 115 85.369 -3.191 -13.827 1.00 30.29 C ATOM 435 CG LYS A 115 84.618 -3.253 -15.151 1.00 47.18 C ATOM 436 CD LYS A 115 84.537 -4.666 -15.685 1.00 41.86 C ATOM 437 CE LYS A 115 83.846 -4.699 -17.037 1.00 33.11 C ATOM 438 NZ LYS A 115 84.806 -4.604 -18.172 1.00 43.29 N ATOM 439 HZ1 LYS A 115 85.334 -3.711 -18.104 1.00 0.00 H ATOM 440 HZ2 LYS A 115 85.469 -5.404 -18.131 1.00 0.00 H ATOM 441 HZ3 LYS A 115 84.283 -4.631 -19.070 1.00 0.00 H ATOM 442 H LYS A 115 83.095 -2.084 -13.323 1.00 0.00 H ATOM 443 N ILE A 116 85.179 -1.722 -11.067 1.00 23.02 N ATOM 444 CA ILE A 116 85.965 -1.084 -10.021 1.00 19.48 C ATOM 445 C ILE A 116 85.250 -1.110 -8.672 1.00 21.94 C ATOM 446 O ILE A 116 85.862 -1.395 -7.634 1.00 19.69 O ATOM 447 CB ILE A 116 86.290 0.367 -10.436 1.00 21.87 C ATOM 448 CG1 ILE A 116 87.179 0.354 -11.678 1.00 29.01 C ATOM 449 CG2 ILE A 116 86.948 1.129 -9.294 1.00 20.98 C ATOM 450 CD1 ILE A 116 87.696 1.704 -12.067 1.00 36.43 C ATOM 451 H ILE A 116 84.490 -1.155 -11.601 1.00 0.00 H ATOM 452 N ILE A 117 83.948 -0.835 -8.699 1.00 20.50 N ATOM 453 CA ILE A 117 83.130 -0.798 -7.485 1.00 18.54 C ATOM 454 C ILE A 117 82.338 -2.098 -7.365 1.00 20.50 C ATOM 455 O ILE A 117 81.384 -2.323 -8.097 1.00 23.62 O ATOM 456 CB ILE A 117 82.164 0.415 -7.509 1.00 21.48 C ATOM 457 CG1 ILE A 117 82.982 1.704 -7.569 1.00 18.07 C ATOM 458 CG2 ILE A 117 81.233 0.420 -6.272 1.00 16.74 C ATOM 459 CD1 ILE A 117 84.004 1.820 -6.406 1.00 17.03 C ATOM 460 H ILE A 117 83.496 -0.639 -9.615 1.00 0.00 H ATOM 461 N LYS A 118 82.745 -2.931 -6.420 1.00 22.46 N ATOM 462 CA LYS A 118 82.202 -4.284 -6.281 1.00 23.40 C ATOM 463 C LYS A 118 80.952 -4.336 -5.413 1.00 23.80 C ATOM 464 O LYS A 118 80.155 -5.280 -5.501 1.00 24.28 O ATOM 465 CB LYS A 118 83.281 -5.213 -5.723 1.00 28.55 C ATOM 466 CG LYS A 118 84.407 -5.459 -6.719 1.00 27.30 C ATOM 467 CD LYS A 118 83.806 -5.568 -8.113 1.00 35.92 C ATOM 468 CE LYS A 118 84.714 -6.287 -9.101 1.00 37.96 C ATOM 469 NZ LYS A 118 84.056 -6.339 -10.447 1.00 39.39 N ATOM 470 HZ1 LYS A 118 83.154 -6.851 -10.371 1.00 0.00 H ATOM 471 HZ2 LYS A 118 83.879 -5.371 -10.783 1.00 0.00 H ATOM 472 HZ3 LYS A 118 84.680 -6.831 -11.118 1.00 0.00 H ATOM 473 H LYS A 118 83.476 -2.613 -5.752 1.00 0.00 H ATOM 474 N GLN A 119 80.781 -3.318 -4.573 1.00 19.68 N ATOM 475 CA GLN A 119 79.618 -3.241 -3.705 1.00 16.39 C ATOM 476 C GLN A 119 78.963 -1.867 -3.808 1.00 20.20 C ATOM 477 O GLN A 119 79.195 -1.017 -2.953 1.00 18.45 O ATOM 478 CB GLN A 119 80.025 -3.486 -2.253 1.00 23.37 C ATOM 479 CG GLN A 119 78.834 -3.623 -1.345 1.00 32.87 C ATOM 480 CD GLN A 119 79.211 -3.715 0.123 1.00 41.52 C ATOM 481 OE1 GLN A 119 80.366 -3.990 0.483 1.00 41.97 O ATOM 482 NE2 GLN A 119 78.232 -3.489 0.979 1.00 32.41 N ATOM 483 HE22 GLN A 119 77.279 -3.262 0.631 1.00 0.00 H ATOM 484 HE21 GLN A 119 78.414 -3.538 2.002 1.00 0.00 H ATOM 485 H GLN A 119 81.494 -2.562 -4.537 1.00 0.00 H ATOM 486 N PRO A 120 78.123 -1.658 -4.834 1.00 19.44 N ATOM 487 CA PRO A 120 77.444 -0.367 -4.978 1.00 17.02 C ATOM 488 C PRO A 120 76.543 -0.080 -3.770 1.00 20.55 C ATOM 489 O PRO A 120 76.010 -1.005 -3.150 1.00 19.00 O ATOM 490 CB PRO A 120 76.596 -0.549 -6.247 1.00 19.10 C ATOM 491 CG PRO A 120 77.221 -1.699 -6.979 1.00 30.01 C ATOM 492 CD PRO A 120 77.754 -2.602 -5.906 1.00 25.40 C ATOM 493 N MET A 121 76.381 1.189 -3.422 1.00 16.54 N ATOM 494 CA MET A 121 75.495 1.548 -2.315 1.00 15.63 C ATOM 495 C MET A 121 75.031 2.979 -2.563 1.00 17.91 C ATOM 496 O MET A 121 75.749 3.766 -3.169 1.00 17.84 O ATOM 497 CB MET A 121 76.214 1.422 -0.957 1.00 15.13 C ATOM 498 CG MET A 121 75.322 1.590 0.297 1.00 18.18 C ATOM 499 SD MET A 121 73.737 0.687 0.276 1.00 22.42 S ATOM 500 CE MET A 121 74.309 -1.008 0.095 1.00 22.57 C ATOM 501 H MET A 121 76.888 1.935 -3.940 1.00 0.00 H ATOM 502 N ASP A 122 73.822 3.290 -2.115 1.00 17.58 N ATOM 503 CA ASP A 122 73.236 4.620 -2.319 1.00 17.73 C ATOM 504 C ASP A 122 72.247 4.910 -1.192 1.00 19.27 C ATOM 505 O ASP A 122 71.872 4.008 -0.438 1.00 20.75 O ATOM 506 CB ASP A 122 72.520 4.688 -3.672 1.00 18.64 C ATOM 507 CG ASP A 122 71.301 3.772 -3.723 1.00 25.13 C ATOM 508 OD1 ASP A 122 71.483 2.561 -3.932 1.00 21.45 O ATOM 509 OD2 ASP A 122 70.165 4.248 -3.510 1.00 20.92 O ATOM 510 H ASP A 122 73.273 2.570 -1.604 1.00 0.00 H ATOM 511 N MET A 123 71.816 6.160 -1.059 1.00 16.98 N ATOM 512 CA MET A 123 70.932 6.498 0.057 1.00 19.95 C ATOM 513 C MET A 123 69.497 6.008 -0.116 1.00 20.68 C ATOM 514 O MET A 123 68.774 5.857 0.869 1.00 20.76 O ATOM 515 CB MET A 123 70.944 7.998 0.342 1.00 19.92 C ATOM 516 CG MET A 123 72.277 8.498 0.857 1.00 16.93 C ATOM 517 SD MET A 123 72.115 10.086 1.691 1.00 21.45 S ATOM 518 CE MET A 123 71.176 11.015 0.483 1.00 20.94 C ATOM 519 H MET A 123 72.104 6.890 -1.741 1.00 0.00 H ATOM 520 N GLY A 124 69.081 5.775 -1.358 1.00 19.62 N ATOM 521 CA GLY A 124 67.768 5.198 -1.605 1.00 24.80 C ATOM 522 C GLY A 124 67.695 3.803 -1.012 1.00 30.54 C ATOM 523 O GLY A 124 66.750 3.457 -0.296 1.00 24.95 O ATOM 524 H GLY A 124 69.700 6.008 -2.160 1.00 0.00 H ATOM 525 N THR A 125 68.722 3.005 -1.290 1.00 23.43 N ATOM 526 CA THR A 125 68.832 1.675 -0.709 1.00 23.95 C ATOM 527 C THR A 125 68.916 1.693 0.831 1.00 29.14 C ATOM 528 O THR A 125 68.267 0.893 1.506 1.00 26.42 O ATOM 529 CB THR A 125 70.049 0.930 -1.277 1.00 23.64 C ATOM 530 OG1 THR A 125 69.866 0.740 -2.684 1.00 24.18 O ATOM 531 CG2 THR A 125 70.209 -0.422 -0.598 1.00 23.64 C ATOM 532 HG1 THR A 125 69.778 1.621 -3.126 1.00 0.00 H ATOM 533 H THR A 125 69.464 3.339 -1.938 1.00 0.00 H ATOM 534 N ILE A 126 69.708 2.600 1.390 1.00 21.56 N ATOM 535 CA ILE A 126 69.833 2.673 2.841 1.00 22.13 C ATOM 536 C ILE A 126 68.485 3.060 3.459 1.00 20.66 C ATOM 537 O ILE A 126 68.045 2.465 4.446 1.00 25.13 O ATOM 538 CB ILE A 126 70.949 3.660 3.273 1.00 20.45 C ATOM 539 CG1 ILE A 126 72.304 3.178 2.753 1.00 19.75 C ATOM 540 CG2 ILE A 126 70.996 3.795 4.817 1.00 18.32 C ATOM 541 CD1 ILE A 126 73.429 4.211 2.877 1.00 20.10 C ATOM 542 H ILE A 126 70.242 3.261 0.790 1.00 0.00 H ATOM 543 N LYS A 127 67.825 4.041 2.852 1.00 23.12 N ATOM 544 CA LYS A 127 66.534 4.515 3.342 1.00 25.92 C ATOM 545 C LYS A 127 65.490 3.394 3.332 1.00 28.54 C ATOM 546 O LYS A 127 64.750 3.201 4.303 1.00 30.31 O ATOM 547 CB LYS A 127 66.069 5.704 2.502 1.00 26.11 C ATOM 548 CG LYS A 127 64.765 6.343 2.965 1.00 30.43 C ATOM 549 CD LYS A 127 64.524 7.644 2.212 1.00 36.67 C ATOM 550 CE LYS A 127 63.040 7.962 2.141 1.00 55.15 C ATOM 551 NZ LYS A 127 62.768 9.386 2.471 1.00 50.15 N ATOM 552 HZ1 LYS A 127 63.101 9.587 3.435 1.00 0.00 H ATOM 553 HZ2 LYS A 127 63.268 9.999 1.796 1.00 0.00 H ATOM 554 HZ3 LYS A 127 61.745 9.565 2.412 1.00 0.00 H ATOM 555 H LYS A 127 68.239 4.482 2.006 1.00 0.00 H ATOM 556 N ARG A 128 65.455 2.642 2.245 1.00 27.09 N ATOM 557 CA ARG A 128 64.549 1.507 2.120 1.00 32.69 C ATOM 558 C ARG A 128 64.824 0.473 3.204 1.00 35.12 C ATOM 559 O ARG A 128 63.898 -0.040 3.839 1.00 40.14 O ATOM 560 CB ARG A 128 64.694 0.884 0.729 1.00 34.07 C ATOM 561 CG ARG A 128 63.671 -0.170 0.380 1.00 38.20 C ATOM 562 CD ARG A 128 63.734 -0.493 -1.117 1.00 57.55 C ATOM 563 NE ARG A 128 65.018 -1.073 -1.515 1.00 54.56 N ATOM 564 CZ ARG A 128 65.939 -0.449 -2.248 1.00 50.09 C ATOM 565 NH1 ARG A 128 65.729 0.790 -2.678 1.00 50.50 N ATOM 566 NH2 ARG A 128 67.073 -1.068 -2.557 1.00 46.36 N ATOM 567 HE ARG A 128 65.226 -2.043 -1.203 1.00 0.00 H ATOM 568 HH12 ARG A 128 66.452 1.272 -3.250 1.00 0.00 H ATOM 569 HH11 ARG A 128 64.842 1.279 -2.443 1.00 0.00 H ATOM 570 HH22 ARG A 128 67.792 -0.581 -3.129 1.00 0.00 H ATOM 571 HH21 ARG A 128 67.242 -2.040 -2.227 1.00 0.00 H ATOM 572 H ARG A 128 66.093 2.867 1.455 1.00 0.00 H ATOM 573 N ARG A 129 66.100 0.171 3.424 1.00 28.11 N ATOM 574 CA ARG A 129 66.490 -0.753 4.483 1.00 24.36 C ATOM 575 C ARG A 129 66.075 -0.269 5.871 1.00 32.60 C ATOM 576 O ARG A 129 65.647 -1.061 6.714 1.00 32.57 O ATOM 577 CB ARG A 129 67.996 -1.030 4.429 1.00 23.66 C ATOM 578 CG ARG A 129 68.389 -1.769 3.163 1.00 27.11 C ATOM 579 CD ARG A 129 69.881 -2.017 3.072 1.00 27.57 C ATOM 580 NE ARG A 129 70.181 -2.899 1.947 1.00 25.87 N ATOM 581 CZ ARG A 129 71.391 -3.362 1.660 1.00 29.18 C ATOM 582 NH1 ARG A 129 72.436 -3.024 2.403 1.00 25.14 N ATOM 583 NH2 ARG A 129 71.551 -4.170 0.623 1.00 39.61 N ATOM 584 HE ARG A 129 69.394 -3.183 1.330 1.00 0.00 H ATOM 585 HH12 ARG A 129 73.380 -3.392 2.170 1.00 0.00 H ATOM 586 HH11 ARG A 129 72.311 -2.391 3.219 1.00 0.00 H ATOM 587 HH22 ARG A 129 72.496 -4.537 0.391 1.00 0.00 H ATOM 588 HH21 ARG A 129 70.732 -4.437 0.041 1.00 0.00 H ATOM 589 H ARG A 129 66.835 0.603 2.829 1.00 0.00 H ATOM 590 N LEU A 130 66.205 1.028 6.115 1.00 29.75 N ATOM 591 CA LEU A 130 65.788 1.580 7.397 1.00 27.34 C ATOM 592 C LEU A 130 64.273 1.486 7.539 1.00 29.62 C ATOM 593 O LEU A 130 63.766 1.098 8.590 1.00 38.11 O ATOM 594 CB LEU A 130 66.263 3.024 7.548 1.00 26.83 C ATOM 595 CG LEU A 130 67.757 3.208 7.835 1.00 23.40 C ATOM 596 CD1 LEU A 130 68.187 4.642 7.502 1.00 25.99 C ATOM 597 CD2 LEU A 130 68.118 2.841 9.276 1.00 24.38 C ATOM 598 H LEU A 130 66.606 1.654 5.388 1.00 0.00 H ATOM 599 N GLU A 131 63.561 1.823 6.472 1.00 30.21 N ATOM 600 CA GLU A 131 62.100 1.758 6.474 1.00 38.33 C ATOM 601 C GLU A 131 61.567 0.338 6.653 1.00 42.85 C ATOM 602 O GLU A 131 60.478 0.147 7.193 1.00 39.52 O ATOM 603 CB GLU A 131 61.534 2.345 5.184 1.00 34.60 C ATOM 604 CG GLU A 131 61.755 3.839 5.022 1.00 38.98 C ATOM 605 CD GLU A 131 61.405 4.330 3.626 1.00 40.93 C ATOM 606 OE1 GLU A 131 61.192 3.485 2.728 1.00 46.17 O ATOM 607 OE2 GLU A 131 61.345 5.560 3.425 1.00 40.82 O ATOM 608 H GLU A 131 64.054 2.141 5.613 1.00 0.00 H ATOM 609 N ASN A 132 62.326 -0.654 6.195 1.00 32.44 N ATOM 610 CA ASN A 132 61.872 -2.042 6.239 1.00 33.16 C ATOM 611 C ASN A 132 62.525 -2.887 7.330 1.00 41.24 C ATOM 612 O ASN A 132 62.480 -4.118 7.283 1.00 38.15 O ATOM 613 CB ASN A 132 62.057 -2.709 4.877 1.00 35.69 C ATOM 614 CG ASN A 132 61.085 -2.184 3.836 1.00 46.12 C ATOM 615 OD1 ASN A 132 59.896 -2.020 4.108 1.00 58.00 O ATOM 616 ND2 ASN A 132 61.589 -1.916 2.637 1.00 48.33 N ATOM 617 HD22 ASN A 132 62.601 -2.070 2.452 1.00 0.00 H ATOM 618 HD21 ASN A 132 60.972 -1.552 1.883 1.00 0.00 H ATOM 619 H ASN A 132 63.262 -0.437 5.797 1.00 0.00 H ATOM 620 N ASN A 133 63.135 -2.222 8.305 1.00 39.79 N ATOM 621 CA ASN A 133 63.759 -2.906 9.435 1.00 40.51 C ATOM 622 C ASN A 133 64.763 -3.967 9.009 1.00 41.84 C ATOM 623 O ASN A 133 64.837 -5.040 9.607 1.00 38.43 O ATOM 624 CB ASN A 133 62.694 -3.533 10.336 1.00 45.49 C ATOM 625 CG ASN A 133 61.603 -2.559 10.701 1.00 52.82 C ATOM 626 OD1 ASN A 133 61.823 -1.625 11.473 1.00 60.19 O ATOM 627 ND2 ASN A 133 60.412 -2.765 10.143 1.00 53.86 N ATOM 628 HD22 ASN A 133 60.272 -3.568 9.496 1.00 0.00 H ATOM 629 HD21 ASN A 133 59.621 -2.123 10.354 1.00 0.00 H ATOM 630 H ASN A 133 63.169 -1.183 8.263 1.00 0.00 H ATOM 631 N TYR A 134 65.531 -3.657 7.969 1.00 36.99 N ATOM 632 CA TYR A 134 66.538 -4.569 7.442 1.00 31.66 C ATOM 633 C TYR A 134 67.733 -4.732 8.386 1.00 33.88 C ATOM 634 O TYR A 134 68.273 -5.835 8.543 1.00 34.46 O ATOM 635 CB TYR A 134 67.010 -4.069 6.068 1.00 37.02 C ATOM 636 CG TYR A 134 68.130 -4.886 5.463 1.00 35.36 C ATOM 637 CD1 TYR A 134 67.856 -6.038 4.733 1.00 47.37 C ATOM 638 CD2 TYR A 134 69.459 -4.511 5.624 1.00 34.08 C ATOM 639 CE1 TYR A 134 68.872 -6.793 4.183 1.00 50.54 C ATOM 640 CE2 TYR A 134 70.485 -5.262 5.074 1.00 40.24 C ATOM 641 CZ TYR A 134 70.184 -6.401 4.355 1.00 43.44 C ATOM 642 OH TYR A 134 71.194 -7.160 3.804 1.00 45.70 O ATOM 643 HH TYR A 134 71.712 -6.606 3.167 1.00 0.00 H ATOM 644 H TYR A 134 65.409 -2.729 7.515 1.00 0.00 H ATOM 645 N TYR A 135 68.144 -3.638 9.021 1.00 28.74 N ATOM 646 CA TYR A 135 69.362 -3.644 9.822 1.00 27.91 C ATOM 647 C TYR A 135 69.175 -4.256 11.208 1.00 39.70 C ATOM 648 O TYR A 135 68.137 -4.074 11.840 1.00 37.19 O ATOM 649 CB TYR A 135 69.906 -2.226 9.982 1.00 26.63 C ATOM 650 CG TYR A 135 70.324 -1.575 8.692 1.00 31.48 C ATOM 651 CD1 TYR A 135 71.372 -2.094 7.939 1.00 30.79 C ATOM 652 CD2 TYR A 135 69.697 -0.418 8.241 1.00 30.77 C ATOM 653 CE1 TYR A 135 71.767 -1.489 6.758 1.00 30.72 C ATOM 654 CE2 TYR A 135 70.090 0.197 7.066 1.00 26.15 C ATOM 655 CZ TYR A 135 71.128 -0.343 6.333 1.00 28.73 C ATOM 656 OH TYR A 135 71.517 0.261 5.165 1.00 24.96 O ATOM 657 HH TYR A 135 72.267 -0.247 4.766 1.00 0.00 H ATOM 658 H TYR A 135 67.587 -2.763 8.945 1.00 0.00 H ATOM 659 N TRP A 136 70.205 -4.951 11.686 1.00 34.10 N ATOM 660 CA TRP A 136 70.174 -5.574 13.010 1.00 38.42 C ATOM 661 C TRP A 136 71.000 -4.784 14.033 1.00 52.27 C ATOM 662 O TRP A 136 70.857 -4.974 15.239 1.00 44.72 O ATOM 663 CB TRP A 136 70.664 -7.025 12.925 1.00 45.20 C ATOM 664 CG TRP A 136 70.365 -7.847 14.150 1.00 71.55 C ATOM 665 CD1 TRP A 136 69.242 -8.591 14.387 1.00 71.56 C ATOM 666 CD2 TRP A 136 71.205 -8.013 15.302 1.00 75.01 C ATOM 667 NE1 TRP A 136 69.330 -9.206 15.615 1.00 72.94 N ATOM 668 CE2 TRP A 136 70.524 -8.868 16.196 1.00 75.15 C ATOM 669 CE3 TRP A 136 72.465 -7.522 15.664 1.00 70.63 C ATOM 670 CZ2 TRP A 136 71.062 -9.242 17.429 1.00 72.95 C ATOM 671 CZ3 TRP A 136 72.997 -7.894 16.890 1.00 68.91 C ATOM 672 CH2 TRP A 136 72.296 -8.746 17.757 1.00 65.38 C ATOM 673 HE1 TRP A 136 68.608 -9.826 16.034 1.00 0.00 H ATOM 674 H TRP A 136 71.058 -5.054 11.100 1.00 0.00 H ATOM 675 N ALA A 137 71.866 -3.900 13.548 1.00 36.60 N ATOM 676 CA ALA A 137 72.684 -3.065 14.422 1.00 34.05 C ATOM 677 C ALA A 137 72.988 -1.738 13.736 1.00 33.25 C ATOM 678 O ALA A 137 73.075 -1.680 12.515 1.00 31.44 O ATOM 679 CB ALA A 137 73.975 -3.778 14.783 1.00 38.84 C ATOM 680 H ALA A 137 71.963 -3.801 12.517 1.00 0.00 H ATOM 681 N ALA A 138 73.164 -0.681 14.522 1.00 38.27 N ATOM 682 CA ALA A 138 73.443 0.636 13.953 1.00 38.68 C ATOM 683 C ALA A 138 74.719 0.621 13.114 1.00 33.24 C ATOM 684 O ALA A 138 74.763 1.212 12.030 1.00 27.71 O ATOM 685 CB ALA A 138 73.527 1.692 15.041 1.00 36.00 C ATOM 686 H ALA A 138 73.102 -0.792 15.554 1.00 0.00 H ATOM 687 N SER A 139 75.742 -0.076 13.597 1.00 29.43 N ATOM 688 CA SER A 139 77.007 -0.157 12.869 1.00 31.04 C ATOM 689 C SER A 139 76.828 -0.685 11.440 1.00 33.09 C ATOM 690 O SER A 139 77.573 -0.308 10.540 1.00 27.81 O ATOM 691 CB SER A 139 78.033 -1.004 13.637 1.00 32.11 C ATOM 692 OG SER A 139 77.571 -2.333 13.813 1.00 38.22 O ATOM 693 HG SER A 139 78.251 -2.854 14.310 1.00 0.00 H ATOM 694 H SER A 139 75.641 -0.571 14.506 1.00 0.00 H ATOM 695 N GLU A 140 75.838 -1.547 11.227 1.00 28.56 N ATOM 696 CA GLU A 140 75.586 -2.088 9.900 1.00 31.00 C ATOM 697 C GLU A 140 75.132 -1.007 8.912 1.00 23.29 C ATOM 698 O GLU A 140 75.569 -0.962 7.757 1.00 27.69 O ATOM 699 CB GLU A 140 74.532 -3.194 9.964 1.00 35.56 C ATOM 700 CG GLU A 140 75.007 -4.464 10.633 1.00 46.03 C ATOM 701 CD GLU A 140 73.894 -5.478 10.817 1.00 49.51 C ATOM 702 OE1 GLU A 140 72.793 -5.264 10.253 1.00 35.09 O ATOM 703 OE2 GLU A 140 74.130 -6.488 11.523 1.00 46.91 O ATOM 704 H GLU A 140 75.234 -1.839 12.022 1.00 0.00 H ATOM 705 N CYS A 141 74.221 -0.163 9.369 1.00 22.74 N ATOM 706 CA CYS A 141 73.721 0.949 8.575 1.00 23.06 C ATOM 707 C CYS A 141 74.848 1.951 8.346 1.00 20.08 C ATOM 708 O CYS A 141 75.036 2.462 7.233 1.00 21.30 O ATOM 709 CB CYS A 141 72.557 1.617 9.316 1.00 26.86 C ATOM 710 SG CYS A 141 72.001 3.184 8.606 1.00 25.17 S ATOM 711 H CYS A 141 73.849 -0.299 10.331 1.00 0.00 H ATOM 712 N MET A 142 75.617 2.215 9.396 1.00 20.26 N ATOM 713 CA MET A 142 76.756 3.125 9.278 1.00 21.36 C ATOM 714 C MET A 142 77.757 2.655 8.231 1.00 21.36 C ATOM 715 O MET A 142 78.316 3.471 7.482 1.00 19.10 O ATOM 716 CB MET A 142 77.444 3.311 10.628 1.00 19.07 C ATOM 717 CG MET A 142 76.597 4.077 11.618 1.00 22.88 C ATOM 718 SD MET A 142 77.180 3.889 13.310 1.00 25.94 S ATOM 719 CE MET A 142 78.765 4.725 13.241 1.00 26.68 C ATOM 720 H MET A 142 75.407 1.770 10.312 1.00 0.00 H ATOM 721 N GLN A 143 77.972 1.343 8.161 1.00 21.88 N ATOM 722 CA GLN A 143 78.885 0.798 7.157 1.00 22.20 C ATOM 723 C GLN A 143 78.354 1.002 5.745 1.00 20.19 C ATOM 724 O GLN A 143 79.141 1.201 4.828 1.00 20.55 O ATOM 725 CB GLN A 143 79.190 -0.693 7.404 1.00 23.81 C ATOM 726 CG GLN A 143 79.796 -0.984 8.770 1.00 23.94 C ATOM 727 CD GLN A 143 81.191 -0.411 8.952 1.00 29.65 C ATOM 728 OE1 GLN A 143 81.788 0.122 8.012 1.00 30.23 O ATOM 729 NE2 GLN A 143 81.727 -0.530 10.174 1.00 28.31 N ATOM 730 HE22 GLN A 143 81.187 -0.987 10.936 1.00 0.00 H ATOM 731 HE21 GLN A 143 82.683 -0.166 10.360 1.00 0.00 H ATOM 732 H GLN A 143 77.489 0.703 8.823 1.00 0.00 H ATOM 733 N ASP A 144 77.032 0.953 5.555 1.00 16.51 N ATOM 734 CA ASP A 144 76.474 1.221 4.223 1.00 19.24 C ATOM 735 C ASP A 144 76.684 2.680 3.814 1.00 19.88 C ATOM 736 O ASP A 144 77.039 2.952 2.668 1.00 16.66 O ATOM 737 CB ASP A 144 74.990 0.880 4.131 1.00 22.58 C ATOM 738 CG ASP A 144 74.729 -0.613 3.993 1.00 28.38 C ATOM 739 OD1 ASP A 144 75.663 -1.390 3.678 1.00 23.79 O ATOM 740 OD2 ASP A 144 73.565 -1.006 4.184 1.00 26.53 O ATOM 741 H ASP A 144 76.400 0.726 6.349 1.00 0.00 H ATOM 742 N PHE A 145 76.437 3.615 4.733 1.00 18.48 N ATOM 743 CA PHE A 145 76.761 5.018 4.455 1.00 19.91 C ATOM 744 C PHE A 145 78.233 5.116 4.071 1.00 18.07 C ATOM 745 O PHE A 145 78.608 5.761 3.087 1.00 16.56 O ATOM 746 CB PHE A 145 76.504 5.906 5.678 1.00 16.33 C ATOM 747 CG PHE A 145 75.098 6.423 5.774 1.00 19.55 C ATOM 748 CD1 PHE A 145 74.636 7.388 4.882 1.00 24.16 C ATOM 749 CD2 PHE A 145 74.237 5.952 6.762 1.00 23.49 C ATOM 750 CE1 PHE A 145 73.337 7.877 4.974 1.00 24.85 C ATOM 751 CE2 PHE A 145 72.939 6.442 6.864 1.00 23.62 C ATOM 752 CZ PHE A 145 72.493 7.407 5.967 1.00 26.33 C ATOM 753 H PHE A 145 76.015 3.349 5.646 1.00 0.00 H ATOM 754 N ASN A 146 79.078 4.492 4.875 1.00 15.97 N ATOM 755 CA ASN A 146 80.505 4.540 4.611 1.00 18.66 C ATOM 756 C ASN A 146 80.852 3.997 3.230 1.00 18.69 C ATOM 757 O ASN A 146 81.605 4.617 2.486 1.00 18.39 O ATOM 758 CB ASN A 146 81.287 3.796 5.694 1.00 18.94 C ATOM 759 CG ASN A 146 82.780 3.933 5.504 1.00 23.24 C ATOM 760 OD1 ASN A 146 83.350 4.998 5.751 1.00 25.24 O ATOM 761 ND2 ASN A 146 83.418 2.870 5.045 1.00 26.37 N ATOM 762 HD22 ASN A 146 82.894 1.993 4.851 1.00 0.00 H ATOM 763 HD21 ASN A 146 84.444 2.911 4.878 1.00 0.00 H ATOM 764 H ASN A 146 78.720 3.966 5.698 1.00 0.00 H ATOM 765 N THR A 147 80.315 2.832 2.887 1.00 16.34 N ATOM 766 CA THR A 147 80.557 2.253 1.564 1.00 16.50 C ATOM 767 C THR A 147 80.148 3.192 0.412 1.00 19.62 C ATOM 768 O THR A 147 80.877 3.358 -0.570 1.00 15.75 O ATOM 769 CB THR A 147 79.840 0.896 1.436 1.00 20.37 C ATOM 770 OG1 THR A 147 80.401 -0.008 2.402 1.00 19.84 O ATOM 771 CG2 THR A 147 79.977 0.321 0.020 1.00 20.18 C ATOM 772 HG1 THR A 147 81.369 -0.118 2.226 1.00 0.00 H ATOM 773 H THR A 147 79.714 2.324 3.567 1.00 0.00 H ATOM 774 N MET A 148 78.988 3.815 0.546 1.00 15.54 N ATOM 775 CA MET A 148 78.518 4.747 -0.461 1.00 13.65 C ATOM 776 C MET A 148 79.542 5.863 -0.703 1.00 12.87 C ATOM 777 O MET A 148 79.870 6.162 -1.852 1.00 16.09 O ATOM 778 CB MET A 148 77.176 5.354 -0.044 1.00 15.29 C ATOM 779 CG MET A 148 76.668 6.429 -0.998 1.00 17.62 C ATOM 780 SD MET A 148 75.142 7.180 -0.402 1.00 18.68 S ATOM 781 CE MET A 148 75.731 8.098 1.016 1.00 23.42 C ATOM 782 H MET A 148 78.404 3.633 1.387 1.00 0.00 H ATOM 783 N PHE A 149 80.048 6.464 0.370 1.00 16.06 N ATOM 784 CA PHE A 149 80.991 7.579 0.224 1.00 17.00 C ATOM 785 C PHE A 149 82.323 7.056 -0.293 1.00 14.55 C ATOM 786 O PHE A 149 82.912 7.632 -1.180 1.00 17.56 O ATOM 787 CB PHE A 149 81.177 8.296 1.563 1.00 17.98 C ATOM 788 CG PHE A 149 79.960 9.063 2.002 1.00 18.82 C ATOM 789 CD1 PHE A 149 79.372 9.991 1.151 1.00 19.27 C ATOM 790 CD2 PHE A 149 79.389 8.839 3.245 1.00 18.50 C ATOM 791 CE1 PHE A 149 78.243 10.709 1.545 1.00 22.24 C ATOM 792 CE2 PHE A 149 78.263 9.553 3.645 1.00 18.70 C ATOM 793 CZ PHE A 149 77.694 10.486 2.793 1.00 22.28 C ATOM 794 H PHE A 149 79.773 6.141 1.320 1.00 0.00 H ATOM 795 N THR A 150 82.788 5.954 0.279 1.00 14.67 N ATOM 796 CA THR A 150 84.061 5.388 -0.143 1.00 13.74 C ATOM 797 C THR A 150 84.062 4.997 -1.631 1.00 15.99 C ATOM 798 O THR A 150 85.022 5.291 -2.339 1.00 15.65 O ATOM 799 CB THR A 150 84.481 4.213 0.768 1.00 17.07 C ATOM 800 OG1 THR A 150 84.717 4.719 2.086 1.00 18.04 O ATOM 801 CG2 THR A 150 85.767 3.556 0.246 1.00 13.65 C ATOM 802 HG1 THR A 150 83.888 5.135 2.432 1.00 0.00 H ATOM 803 H THR A 150 82.241 5.492 1.033 1.00 0.00 H ATOM 804 N ASN A 151 82.996 4.358 -2.110 1.00 14.51 N ATOM 805 CA ASN A 151 82.897 4.039 -3.538 1.00 16.05 C ATOM 806 C ASN A 151 83.139 5.280 -4.385 1.00 17.79 C ATOM 807 O ASN A 151 83.823 5.245 -5.409 1.00 16.67 O ATOM 808 CB ASN A 151 81.523 3.462 -3.895 1.00 16.89 C ATOM 809 CG ASN A 151 81.282 2.067 -3.307 1.00 18.01 C ATOM 810 OD1 ASN A 151 82.208 1.389 -2.839 1.00 17.50 O ATOM 811 ND2 ASN A 151 80.023 1.631 -3.340 1.00 18.16 N ATOM 812 HD22 ASN A 151 79.275 2.232 -3.742 1.00 0.00 H ATOM 813 HD21 ASN A 151 79.789 0.690 -2.964 1.00 0.00 H ATOM 814 H ASN A 151 82.227 4.083 -1.466 1.00 0.00 H ATOM 815 N CYS A 152 82.536 6.383 -3.958 1.00 13.80 N ATOM 816 CA CYS A 152 82.620 7.634 -4.703 1.00 15.81 C ATOM 817 C CYS A 152 84.068 8.127 -4.773 1.00 13.98 C ATOM 818 O CYS A 152 84.561 8.511 -5.853 1.00 16.07 O ATOM 819 CB CYS A 152 81.702 8.678 -4.057 1.00 15.86 C ATOM 820 SG CYS A 152 81.631 10.273 -4.928 1.00 19.37 S ATOM 821 H CYS A 152 81.992 6.354 -3.072 1.00 0.00 H ATOM 822 N TYR A 153 84.764 8.098 -3.641 1.00 13.78 N ATOM 823 CA TYR A 153 86.150 8.584 -3.588 1.00 14.39 C ATOM 824 C TYR A 153 87.083 7.691 -4.397 1.00 17.89 C ATOM 825 O TYR A 153 88.024 8.163 -5.024 1.00 17.27 O ATOM 826 CB TYR A 153 86.658 8.649 -2.147 1.00 15.41 C ATOM 827 CG TYR A 153 85.824 9.508 -1.232 1.00 16.87 C ATOM 828 CD1 TYR A 153 85.335 10.756 -1.655 1.00 17.99 C ATOM 829 CD2 TYR A 153 85.505 9.072 0.041 1.00 16.96 C ATOM 830 CE1 TYR A 153 84.562 11.532 -0.815 1.00 18.01 C ATOM 831 CE2 TYR A 153 84.738 9.848 0.893 1.00 19.45 C ATOM 832 CZ TYR A 153 84.273 11.082 0.457 1.00 20.20 C ATOM 833 OH TYR A 153 83.492 11.852 1.304 1.00 18.81 O ATOM 834 HH TYR A 153 84.004 12.059 2.126 1.00 0.00 H ATOM 835 H TYR A 153 84.320 7.725 -2.778 1.00 0.00 H ATOM 836 N ILE A 154 86.815 6.390 -4.381 1.00 16.73 N ATOM 837 CA ILE A 154 87.665 5.441 -5.093 1.00 15.17 C ATOM 838 C ILE A 154 87.467 5.539 -6.605 1.00 17.47 C ATOM 839 O ILE A 154 88.428 5.506 -7.369 1.00 18.02 O ATOM 840 CB ILE A 154 87.383 3.988 -4.615 1.00 18.53 C ATOM 841 CG1 ILE A 154 87.922 3.800 -3.191 1.00 16.31 C ATOM 842 CG2 ILE A 154 87.998 2.972 -5.597 1.00 19.31 C ATOM 843 CD1 ILE A 154 87.657 2.397 -2.578 1.00 20.85 C ATOM 844 H ILE A 154 85.988 6.043 -3.854 1.00 0.00 H ATOM 845 N TYR A 155 86.216 5.653 -7.044 1.00 15.95 N ATOM 846 CA TYR A 155 85.950 5.594 -8.480 1.00 15.46 C ATOM 847 C TYR A 155 86.318 6.879 -9.220 1.00 19.87 C ATOM 848 O TYR A 155 86.895 6.850 -10.315 1.00 19.03 O ATOM 849 CB TYR A 155 84.488 5.234 -8.768 1.00 17.54 C ATOM 850 CG TYR A 155 84.249 5.224 -10.254 1.00 18.13 C ATOM 851 CD1 TYR A 155 84.719 4.174 -11.034 1.00 22.42 C ATOM 852 CD2 TYR A 155 83.616 6.289 -10.887 1.00 19.58 C ATOM 853 CE1 TYR A 155 84.551 4.169 -12.404 1.00 23.92 C ATOM 854 CE2 TYR A 155 83.441 6.293 -12.276 1.00 20.53 C ATOM 855 CZ TYR A 155 83.914 5.224 -13.018 1.00 24.33 C ATOM 856 OH TYR A 155 83.748 5.212 -14.386 1.00 26.50 O ATOM 857 HH TYR A 155 84.141 4.383 -14.758 1.00 0.00 H ATOM 858 H TYR A 155 85.434 5.783 -6.371 1.00 0.00 H ATOM 859 N ASN A 156 85.990 8.015 -8.613 1.00 18.73 N ATOM 860 CA ASN A 156 86.062 9.284 -9.325 1.00 23.26 C ATOM 861 C ASN A 156 87.435 9.946 -9.278 1.00 23.60 C ATOM 862 O ASN A 156 88.278 9.599 -8.443 1.00 20.87 O ATOM 863 CB ASN A 156 84.985 10.227 -8.790 1.00 17.63 C ATOM 864 CG ASN A 156 83.586 9.759 -9.141 1.00 18.39 C ATOM 865 OD1 ASN A 156 83.126 9.946 -10.270 1.00 20.62 O ATOM 866 ND2 ASN A 156 82.893 9.150 -8.174 1.00 15.87 N ATOM 867 HD22 ASN A 156 83.320 9.013 -7.236 1.00 0.00 H ATOM 868 HD21 ASN A 156 81.927 8.813 -8.360 1.00 0.00 H ATOM 869 H ASN A 156 85.679 7.998 -7.621 1.00 0.00 H ATOM 870 N LYS A 157 87.656 10.893 -10.184 1.00 27.38 N ATOM 871 CA LYS A 157 88.898 11.659 -10.200 1.00 25.48 C ATOM 872 C LYS A 157 88.906 12.633 -9.025 1.00 23.33 C ATOM 873 O LYS A 157 87.845 13.096 -8.591 1.00 25.69 O ATOM 874 CB LYS A 157 89.035 12.438 -11.512 1.00 28.41 C ATOM 875 CG LYS A 157 88.877 11.591 -12.767 1.00 29.19 C ATOM 876 CD LYS A 157 88.995 12.448 -14.013 1.00 45.25 C ATOM 877 CE LYS A 157 88.748 11.632 -15.274 1.00 47.59 C ATOM 878 NZ LYS A 157 87.308 11.272 -15.449 1.00 55.90 N ATOM 879 HZ1 LYS A 157 86.991 10.708 -14.635 1.00 0.00 H ATOM 880 HZ2 LYS A 157 86.740 12.141 -15.512 1.00 0.00 H ATOM 881 HZ3 LYS A 157 87.194 10.717 -16.321 1.00 0.00 H ATOM 882 H LYS A 157 86.927 11.093 -10.898 1.00 0.00 H ATOM 883 N PRO A 158 90.101 12.935 -8.491 1.00 23.58 N ATOM 884 CA PRO A 158 90.236 13.847 -7.351 1.00 22.70 C ATOM 885 C PRO A 158 89.548 15.192 -7.584 1.00 24.93 C ATOM 886 O PRO A 158 89.033 15.792 -6.635 1.00 27.05 O ATOM 887 CB PRO A 158 91.756 14.041 -7.238 1.00 25.24 C ATOM 888 CG PRO A 158 92.334 12.759 -7.791 1.00 25.11 C ATOM 889 CD PRO A 158 91.371 12.251 -8.822 1.00 24.44 C ATOM 890 N THR A 159 89.531 15.640 -8.835 1.00 23.92 N ATOM 891 CA THR A 159 88.964 16.942 -9.197 1.00 34.90 C ATOM 892 C THR A 159 87.457 16.950 -9.509 1.00 30.88 C ATOM 893 O THR A 159 86.879 18.010 -9.760 1.00 31.81 O ATOM 894 CB THR A 159 89.711 17.540 -10.414 1.00 29.08 C ATOM 895 OG1 THR A 159 89.788 16.559 -11.455 1.00 38.71 O ATOM 896 CG2 THR A 159 91.121 17.961 -10.024 1.00 44.79 C ATOM 897 HG1 THR A 159 90.278 15.765 -11.123 1.00 0.00 H ATOM 898 H THR A 159 89.935 15.044 -9.585 1.00 0.00 H ATOM 899 N ASP A 160 86.813 15.787 -9.503 1.00 23.44 N ATOM 900 CA ASP A 160 85.402 15.727 -9.880 1.00 21.38 C ATOM 901 C ASP A 160 84.532 16.399 -8.830 1.00 17.18 C ATOM 902 O ASP A 160 84.750 16.211 -7.638 1.00 19.80 O ATOM 903 CB ASP A 160 84.943 14.272 -10.069 1.00 21.88 C ATOM 904 CG ASP A 160 85.512 13.636 -11.317 1.00 31.31 C ATOM 905 OD1 ASP A 160 85.849 14.374 -12.274 1.00 31.01 O ATOM 906 OD2 ASP A 160 85.605 12.393 -11.348 1.00 27.80 O ATOM 907 H ASP A 160 87.314 14.918 -9.229 1.00 0.00 H ATOM 908 N ASP A 161 83.536 17.166 -9.275 1.00 22.37 N ATOM 909 CA ASP A 161 82.599 17.807 -8.350 1.00 20.62 C ATOM 910 C ASP A 161 81.904 16.821 -7.418 1.00 19.86 C ATOM 911 O ASP A 161 81.583 17.170 -6.280 1.00 18.88 O ATOM 912 CB ASP A 161 81.533 18.599 -9.109 1.00 22.11 C ATOM 913 CG ASP A 161 82.096 19.848 -9.785 1.00 25.77 C ATOM 914 OD1 ASP A 161 83.266 20.194 -9.529 1.00 30.14 O ATOM 915 OD2 ASP A 161 81.353 20.468 -10.575 1.00 35.95 O ATOM 916 H ASP A 161 83.423 17.312 -10.298 1.00 0.00 H ATOM 917 N ILE A 162 81.662 15.597 -7.893 1.00 19.14 N ATOM 918 CA ILE A 162 80.931 14.633 -7.077 1.00 17.16 C ATOM 919 C ILE A 162 81.696 14.345 -5.780 1.00 16.16 C ATOM 920 O ILE A 162 81.095 14.081 -4.729 1.00 16.67 O ATOM 921 CB ILE A 162 80.619 13.330 -7.853 1.00 18.37 C ATOM 922 CG1 ILE A 162 79.605 12.481 -7.082 1.00 18.98 C ATOM 923 CG2 ILE A 162 81.908 12.558 -8.154 1.00 19.33 C ATOM 924 CD1 ILE A 162 78.191 13.057 -7.088 1.00 22.33 C ATOM 925 H ILE A 162 81.994 15.331 -8.842 1.00 0.00 H ATOM 926 N VAL A 163 83.027 14.409 -5.847 1.00 15.36 N ATOM 927 CA VAL A 163 83.836 14.181 -4.656 1.00 15.91 C ATOM 928 C VAL A 163 83.566 15.257 -3.596 1.00 17.18 C ATOM 929 O VAL A 163 83.457 14.957 -2.408 1.00 18.27 O ATOM 930 CB VAL A 163 85.343 14.067 -5.000 1.00 18.77 C ATOM 931 CG1 VAL A 163 86.190 14.081 -3.749 1.00 21.71 C ATOM 932 CG2 VAL A 163 85.599 12.785 -5.819 1.00 20.02 C ATOM 933 H VAL A 163 83.490 14.623 -6.754 1.00 0.00 H ATOM 934 N LEU A 164 83.460 16.507 -4.033 1.00 18.14 N ATOM 935 CA LEU A 164 83.155 17.607 -3.124 1.00 19.89 C ATOM 936 C LEU A 164 81.777 17.438 -2.496 1.00 16.77 C ATOM 937 O LEU A 164 81.594 17.689 -1.303 1.00 19.04 O ATOM 938 CB LEU A 164 83.227 18.951 -3.857 1.00 19.82 C ATOM 939 CG LEU A 164 82.793 20.174 -3.046 1.00 23.71 C ATOM 940 CD1 LEU A 164 83.638 20.331 -1.791 1.00 31.60 C ATOM 941 CD2 LEU A 164 82.854 21.440 -3.899 1.00 23.87 C ATOM 942 H LEU A 164 83.597 16.706 -5.045 1.00 0.00 H ATOM 943 N MET A 165 80.810 17.014 -3.304 1.00 17.74 N ATOM 944 CA MET A 165 79.461 16.774 -2.817 1.00 15.61 C ATOM 945 C MET A 165 79.460 15.652 -1.771 1.00 17.88 C ATOM 946 O MET A 165 78.874 15.798 -0.690 1.00 16.70 O ATOM 947 CB MET A 165 78.522 16.465 -3.983 1.00 18.73 C ATOM 948 CG MET A 165 78.488 17.613 -5.006 1.00 21.96 C ATOM 949 SD MET A 165 77.664 17.209 -6.552 1.00 20.40 S ATOM 950 CE MET A 165 75.958 17.466 -6.090 1.00 20.27 C ATOM 951 H MET A 165 81.024 16.850 -4.309 1.00 0.00 H ATOM 952 N ALA A 166 80.128 14.544 -2.086 1.00 15.63 N ATOM 953 CA ALA A 166 80.297 13.457 -1.112 1.00 16.21 C ATOM 954 C ALA A 166 80.934 13.903 0.209 1.00 17.46 C ATOM 955 O ALA A 166 80.440 13.562 1.271 1.00 17.68 O ATOM 956 CB ALA A 166 81.082 12.252 -1.716 1.00 14.95 C ATOM 957 H ALA A 166 80.537 14.446 -3.037 1.00 0.00 H ATOM 958 N GLN A 167 82.028 14.657 0.134 1.00 19.13 N ATOM 959 CA GLN A 167 82.696 15.141 1.337 1.00 20.84 C ATOM 960 C GLN A 167 81.741 15.964 2.196 1.00 21.12 C ATOM 961 O GLN A 167 81.700 15.815 3.421 1.00 20.65 O ATOM 962 CB GLN A 167 83.926 15.980 0.973 1.00 19.86 C ATOM 963 CG GLN A 167 84.990 15.222 0.199 1.00 19.66 C ATOM 964 CD GLN A 167 86.175 16.097 -0.168 1.00 27.59 C ATOM 965 OE1 GLN A 167 86.119 16.876 -1.124 1.00 20.91 O ATOM 966 NE2 GLN A 167 87.255 15.975 0.594 1.00 26.83 N ATOM 967 HE22 GLN A 167 87.257 15.305 1.390 1.00 0.00 H ATOM 968 HE21 GLN A 167 88.099 16.549 0.395 1.00 0.00 H ATOM 969 H GLN A 167 82.414 14.906 -0.799 1.00 0.00 H ATOM 970 N THR A 168 80.973 16.835 1.547 1.00 18.78 N ATOM 971 CA THR A 168 80.012 17.683 2.259 1.00 18.93 C ATOM 972 C THR A 168 78.975 16.859 3.030 1.00 21.66 C ATOM 973 O THR A 168 78.686 17.130 4.204 1.00 19.76 O ATOM 974 CB THR A 168 79.317 18.671 1.287 1.00 20.81 C ATOM 975 OG1 THR A 168 80.320 19.471 0.652 1.00 22.92 O ATOM 976 CG2 THR A 168 78.373 19.588 2.042 1.00 18.38 C ATOM 977 HG1 THR A 168 80.940 18.884 0.150 1.00 0.00 H ATOM 978 H THR A 168 81.056 16.916 0.513 1.00 0.00 H ATOM 979 N LEU A 169 78.428 15.841 2.372 1.00 17.90 N ATOM 980 CA LEU A 169 77.417 14.991 2.983 1.00 16.69 C ATOM 981 C LEU A 169 78.024 14.140 4.089 1.00 17.17 C ATOM 982 O LEU A 169 77.416 13.929 5.141 1.00 18.17 O ATOM 983 CB LEU A 169 76.787 14.086 1.931 1.00 14.78 C ATOM 984 CG LEU A 169 75.995 14.815 0.836 1.00 22.15 C ATOM 985 CD1 LEU A 169 75.687 13.870 -0.305 1.00 20.41 C ATOM 986 CD2 LEU A 169 74.711 15.382 1.424 1.00 25.85 C ATOM 987 H LEU A 169 78.730 15.647 1.396 1.00 0.00 H ATOM 988 N GLU A 170 79.229 13.642 3.847 1.00 17.44 N ATOM 989 CA GLU A 170 79.880 12.800 4.842 1.00 15.74 C ATOM 990 C GLU A 170 80.253 13.580 6.108 1.00 19.96 C ATOM 991 O GLU A 170 80.206 13.041 7.212 1.00 18.88 O ATOM 992 CB GLU A 170 81.099 12.090 4.261 1.00 16.77 C ATOM 993 CG GLU A 170 81.636 11.041 5.217 1.00 18.63 C ATOM 994 CD GLU A 170 82.542 10.032 4.564 1.00 27.29 C ATOM 995 OE1 GLU A 170 83.376 10.442 3.747 1.00 24.07 O ATOM 996 OE2 GLU A 170 82.419 8.827 4.890 1.00 32.33 O ATOM 997 H GLU A 170 79.709 13.852 2.948 1.00 0.00 H ATOM 998 N LYS A 171 80.613 14.852 5.941 1.00 19.73 N ATOM 999 CA LYS A 171 80.879 15.711 7.085 1.00 21.92 C ATOM 1000 C LYS A 171 79.639 15.773 7.965 1.00 20.72 C ATOM 1001 O LYS A 171 79.729 15.673 9.187 1.00 20.06 O ATOM 1002 CB LYS A 171 81.244 17.130 6.628 1.00 24.35 C ATOM 1003 CG LYS A 171 81.369 18.129 7.780 1.00 38.06 C ATOM 1004 CD LYS A 171 81.892 19.480 7.286 1.00 35.41 C ATOM 1005 CE LYS A 171 82.276 20.411 8.436 1.00 51.81 C ATOM 1006 NZ LYS A 171 81.134 21.240 8.931 1.00 61.41 N ATOM 1007 HZ1 LYS A 171 80.774 21.831 8.155 1.00 0.00 H ATOM 1008 HZ2 LYS A 171 80.376 20.615 9.272 1.00 0.00 H ATOM 1009 HZ3 LYS A 171 81.460 21.848 9.709 1.00 0.00 H ATOM 1010 H LYS A 171 80.705 15.236 4.979 1.00 0.00 H ATOM 1011 N ILE A 172 78.477 15.953 7.338 1.00 18.54 N ATOM 1012 CA ILE A 172 77.222 15.997 8.082 1.00 20.49 C ATOM 1013 C ILE A 172 76.930 14.639 8.725 1.00 18.46 C ATOM 1014 O ILE A 172 76.510 14.550 9.886 1.00 19.66 O ATOM 1015 CB ILE A 172 76.037 16.431 7.176 1.00 20.58 C ATOM 1016 CG1 ILE A 172 76.249 17.868 6.689 1.00 25.90 C ATOM 1017 CG2 ILE A 172 74.723 16.300 7.931 1.00 23.31 C ATOM 1018 CD1 ILE A 172 75.402 18.230 5.469 1.00 26.43 C ATOM 1019 H ILE A 172 78.464 16.064 6.304 1.00 0.00 H ATOM 1020 N PHE A 173 77.161 13.575 7.967 1.00 19.96 N ATOM 1021 CA PHE A 173 77.011 12.232 8.500 1.00 20.43 C ATOM 1022 C PHE A 173 77.811 12.076 9.803 1.00 19.26 C ATOM 1023 O PHE A 173 77.277 11.621 10.823 1.00 21.05 O ATOM 1024 CB PHE A 173 77.435 11.202 7.442 1.00 17.73 C ATOM 1025 CG PHE A 173 77.574 9.801 7.967 1.00 18.82 C ATOM 1026 CD1 PHE A 173 76.452 9.019 8.214 1.00 19.88 C ATOM 1027 CD2 PHE A 173 78.834 9.253 8.180 1.00 22.18 C ATOM 1028 CE1 PHE A 173 76.582 7.720 8.683 1.00 22.95 C ATOM 1029 CE2 PHE A 173 78.970 7.952 8.647 1.00 23.54 C ATOM 1030 CZ PHE A 173 77.837 7.184 8.900 1.00 20.69 C ATOM 1031 H PHE A 173 77.454 13.704 6.977 1.00 0.00 H ATOM 1032 N LEU A 174 79.087 12.460 9.785 1.00 14.32 N ATOM 1033 CA LEU A 174 79.918 12.277 10.978 1.00 18.94 C ATOM 1034 C LEU A 174 79.475 13.170 12.130 1.00 22.66 C ATOM 1035 O LEU A 174 79.504 12.754 13.293 1.00 20.66 O ATOM 1036 CB LEU A 174 81.395 12.509 10.656 1.00 20.10 C ATOM 1037 CG LEU A 174 81.973 11.449 9.717 1.00 22.98 C ATOM 1038 CD1 LEU A 174 83.327 11.872 9.191 1.00 26.78 C ATOM 1039 CD2 LEU A 174 82.080 10.108 10.443 1.00 24.98 C ATOM 1040 H LEU A 174 79.491 12.888 8.928 1.00 0.00 H ATOM 1041 N GLN A 175 79.077 14.400 11.809 1.00 21.84 N ATOM 1042 CA GLN A 175 78.650 15.322 12.840 1.00 22.89 C ATOM 1043 C GLN A 175 77.429 14.760 13.542 1.00 25.22 C ATOM 1044 O GLN A 175 77.344 14.809 14.770 1.00 24.21 O ATOM 1045 CB GLN A 175 78.364 16.708 12.259 1.00 23.69 C ATOM 1046 CG GLN A 175 79.613 17.484 11.925 1.00 32.72 C ATOM 1047 CD GLN A 175 79.317 18.770 11.166 1.00 43.47 C ATOM 1048 OE1 GLN A 175 80.102 19.718 11.199 1.00 49.34 O ATOM 1049 NE2 GLN A 175 78.183 18.802 10.473 1.00 36.44 N ATOM 1050 HE22 GLN A 175 77.550 17.977 10.474 1.00 0.00 H ATOM 1051 HE21 GLN A 175 77.929 19.652 9.930 1.00 0.00 H ATOM 1052 H GLN A 175 79.073 14.699 10.813 1.00 0.00 H ATOM 1053 N LYS A 176 76.492 14.212 12.774 1.00 22.30 N ATOM 1054 CA LYS A 176 75.286 13.649 13.377 1.00 24.23 C ATOM 1055 C LYS A 176 75.588 12.355 14.143 1.00 28.58 C ATOM 1056 O LYS A 176 75.038 12.115 15.217 1.00 24.13 O ATOM 1057 CB LYS A 176 74.188 13.428 12.333 1.00 22.25 C ATOM 1058 CG LYS A 176 73.767 14.682 11.594 1.00 33.37 C ATOM 1059 CD LYS A 176 73.182 15.733 12.537 1.00 35.84 C ATOM 1060 CE LYS A 176 72.647 16.924 11.747 1.00 36.81 C ATOM 1061 NZ LYS A 176 71.972 17.925 12.622 1.00 51.96 N ATOM 1062 HZ1 LYS A 176 71.171 17.474 13.109 1.00 0.00 H ATOM 1063 HZ2 LYS A 176 72.650 18.282 13.325 1.00 0.00 H ATOM 1064 HZ3 LYS A 176 71.626 18.715 12.040 1.00 0.00 H ATOM 1065 H LYS A 176 76.618 14.184 11.742 1.00 0.00 H ATOM 1066 N VAL A 177 76.476 11.528 13.602 1.00 20.41 N ATOM 1067 CA VAL A 177 76.811 10.263 14.245 1.00 22.09 C ATOM 1068 C VAL A 177 77.523 10.456 15.592 1.00 24.19 C ATOM 1069 O VAL A 177 77.404 9.619 16.490 1.00 25.85 O ATOM 1070 CB VAL A 177 77.656 9.365 13.309 1.00 24.86 C ATOM 1071 CG1 VAL A 177 78.577 8.454 14.112 1.00 29.06 C ATOM 1072 CG2 VAL A 177 76.751 8.561 12.378 1.00 27.38 C ATOM 1073 H VAL A 177 76.939 11.787 12.707 1.00 0.00 H ATOM 1074 N ALA A 178 78.249 11.561 15.738 1.00 27.90 N ATOM 1075 CA ALA A 178 78.927 11.863 17.002 1.00 24.20 C ATOM 1076 C ALA A 178 77.932 12.036 18.149 1.00 27.70 C ATOM 1077 O ALA A 178 78.306 11.943 19.323 1.00 28.34 O ATOM 1078 CB ALA A 178 79.795 13.108 16.868 1.00 24.02 C ATOM 1079 H ALA A 178 78.337 12.223 14.941 1.00 0.00 H ATOM 1080 N SER A 179 76.671 12.286 17.812 1.00 21.37 N ATOM 1081 CA SER A 179 75.632 12.457 18.834 1.00 27.60 C ATOM 1082 C SER A 179 74.591 11.332 18.885 1.00 29.07 C ATOM 1083 O SER A 179 73.565 11.468 19.549 1.00 26.76 O ATOM 1084 CB SER A 179 74.945 13.819 18.675 1.00 28.11 C ATOM 1085 OG SER A 179 75.868 14.864 18.926 1.00 36.76 O ATOM 1086 HG SER A 179 75.413 15.737 18.820 1.00 0.00 H ATOM 1087 H SER A 179 76.416 12.362 16.807 1.00 0.00 H ATOM 1088 N MET A 180 74.850 10.227 18.190 1.00 29.06 N ATOM 1089 CA MET A 180 73.948 9.069 18.209 1.00 23.02 C ATOM 1090 C MET A 180 73.947 8.396 19.589 1.00 22.92 C ATOM 1091 O MET A 180 74.978 8.358 20.255 1.00 27.96 O ATOM 1092 CB MET A 180 74.392 8.050 17.150 1.00 27.97 C ATOM 1093 CG MET A 180 73.618 6.728 17.135 1.00 29.28 C ATOM 1094 SD MET A 180 74.162 5.599 15.805 1.00 30.73 S ATOM 1095 CE MET A 180 75.925 5.606 16.120 1.00 32.12 C ATOM 1096 H MET A 180 75.717 10.183 17.617 1.00 0.00 H ATOM 1097 N PRO A 181 72.789 7.864 20.018 1.00 31.47 N ATOM 1098 CA PRO A 181 72.716 7.144 21.300 1.00 35.38 C ATOM 1099 C PRO A 181 73.753 6.029 21.346 1.00 36.98 C ATOM 1100 O PRO A 181 73.971 5.366 20.331 1.00 32.39 O ATOM 1101 CB PRO A 181 71.305 6.554 21.288 1.00 35.18 C ATOM 1102 CG PRO A 181 70.518 7.495 20.440 1.00 34.78 C ATOM 1103 CD PRO A 181 71.473 7.950 19.361 1.00 30.79 C ATOM 1104 N GLN A 182 74.372 5.822 22.506 1.00 35.84 N ATOM 1105 CA GLN A 182 75.570 4.987 22.597 1.00 50.22 C ATOM 1106 C GLN A 182 75.277 3.500 22.740 1.00 56.78 C ATOM 1107 O GLN A 182 76.020 2.668 22.218 1.00 56.25 O ATOM 1108 CB GLN A 182 76.462 5.441 23.755 1.00 47.73 C ATOM 1109 CG GLN A 182 76.131 4.793 25.088 1.00 62.07 C ATOM 1110 CD GLN A 182 77.283 4.871 26.070 1.00 57.53 C ATOM 1111 OE1 GLN A 182 77.187 5.532 27.104 1.00 65.64 O ATOM 1112 NE2 GLN A 182 78.382 4.196 25.748 1.00 48.64 N ATOM 1113 HE22 GLN A 182 78.417 3.651 24.863 1.00 0.00 H ATOM 1114 HE21 GLN A 182 79.207 4.213 26.381 1.00 0.00 H ATOM 1115 H GLN A 182 73.995 6.264 23.368 1.00 0.00 H ATOM 1116 N GLU A 183 74.203 3.171 23.451 1.00 59.95 N ATOM 1117 CA GLU A 183 73.833 1.780 23.682 1.00 69.31 C ATOM 1118 C GLU A 183 72.630 1.380 22.843 1.00 64.06 C ATOM 1119 O GLU A 183 71.593 2.047 22.867 1.00 60.50 O ATOM 1120 CB GLU A 183 73.547 1.523 25.165 1.00 68.01 C ATOM 1121 CG GLU A 183 74.722 0.930 25.931 1.00 74.67 C ATOM 1122 CD GLU A 183 74.282 -0.063 26.991 1.00 89.33 C ATOM 1123 OE1 GLU A 183 73.777 0.376 28.047 1.00 84.49 O ATOM 1124 OE2 GLU A 183 74.436 -1.284 26.763 1.00 85.61 O ATOM 1125 H GLU A 183 73.611 3.926 23.853 1.00 0.00 H ATOM 1126 N GLU A 184 72.772 0.284 22.106 1.00 57.09 N ATOM 1127 CA GLU A 184 71.700 -0.184 21.238 1.00 63.46 C ATOM 1128 C GLU A 184 70.512 -0.704 22.055 1.00 71.42 C ATOM 1129 O GLU A 184 70.442 -1.885 22.400 1.00 73.11 O ATOM 1130 CB GLU A 184 72.218 -1.243 20.256 1.00 58.94 C ATOM 1131 CG GLU A 184 71.271 -1.525 19.095 1.00 64.79 C ATOM 1132 CD GLU A 184 71.934 -1.411 17.723 1.00 60.67 C ATOM 1133 OE1 GLU A 184 73.170 -1.218 17.651 1.00 43.42 O ATOM 1134 OE2 GLU A 184 71.206 -1.513 16.710 1.00 58.98 O ATOM 1135 H GLU A 184 73.664 -0.249 22.149 1.00 0.00 H ATOM 1136 N GLN A 185 69.591 0.201 22.371 1.00 71.70 N ATOM 1137 CA GLN A 185 68.375 -0.142 23.096 1.00 58.35 C ATOM 1138 C GLN A 185 67.338 -0.681 22.125 1.00 66.58 C ATOM 1139 O GLN A 185 66.534 0.082 21.585 1.00 58.09 O ATOM 1140 CB GLN A 185 67.805 1.093 23.798 1.00 63.85 C ATOM 1141 CG GLN A 185 68.811 1.864 24.636 1.00 67.06 C ATOM 1142 CD GLN A 185 68.736 1.523 26.113 1.00 75.10 C ATOM 1143 OE1 GLN A 185 67.648 1.377 26.677 1.00 72.71 O ATOM 1144 NE2 GLN A 185 69.896 1.396 26.750 1.00 74.62 N ATOM 1145 HE22 GLN A 185 70.790 1.528 26.234 1.00 0.00 H ATOM 1146 HE21 GLN A 185 69.910 1.165 27.764 1.00 0.00 H ATOM 1147 H GLN A 185 69.744 1.191 22.090 1.00 0.00 H ATOM 1148 N GLU A 186 67.362 -1.992 21.896 1.00 68.68 N ATOM 1149 CA GLU A 186 66.359 -2.629 21.051 1.00 67.96 C ATOM 1150 C GLU A 186 64.974 -2.383 21.644 1.00 73.26 C ATOM 1151 O GLU A 186 64.797 -2.421 22.863 1.00 76.53 O ATOM 1152 CB GLU A 186 66.639 -4.128 20.908 1.00 68.00 C ATOM 1153 CG GLU A 186 65.486 -5.024 21.333 1.00 81.84 C ATOM 1154 CD GLU A 186 65.094 -6.026 20.259 1.00 92.58 C ATOM 1155 OE1 GLU A 186 65.600 -7.170 20.295 1.00 90.36 O ATOM 1156 OE2 GLU A 186 64.276 -5.668 19.381 1.00 80.90 O ATOM 1157 H GLU A 186 68.109 -2.572 22.327 1.00 0.00 H ATOM 1158 N LEU A 187 63.998 -2.119 20.781 1.00 74.53 N ATOM 1159 CA LEU A 187 62.662 -1.739 21.230 1.00 71.58 C ATOM 1160 C LEU A 187 61.608 -2.730 20.742 1.00 78.48 C ATOM 1161 O LEU A 187 61.748 -3.327 19.673 1.00 78.70 O ATOM 1162 CB LEU A 187 62.325 -0.330 20.735 1.00 68.56 C ATOM 1163 CG LEU A 187 63.538 0.581 20.501 1.00 71.80 C ATOM 1164 CD1 LEU A 187 63.402 1.350 19.186 1.00 59.89 C ATOM 1165 CD2 LEU A 187 63.784 1.524 21.685 1.00 62.19 C ATOM 1166 H LEU A 187 64.191 -2.185 19.761 1.00 0.00 H TER 1167 LEU A 187 HETATM 1168 O HOH 1 76.433 0.649 21.292 1.00 50.39 O HETATM 1169 O HOH 2 72.784 -5.468 7.908 1.00 37.48 O HETATM 1170 O HOH 3 61.942 7.085 5.152 1.00 42.79 O HETATM 1171 O HOH 4 73.346 -6.196 3.440 1.00 42.57 O HETATM 1172 O HOH 5 68.516 19.363 8.062 1.00 53.28 O HETATM 1173 O HOH 6 87.732 4.617 -14.325 1.00 44.46 O HETATM 1174 O HOH 7 88.664 16.114 4.142 1.00 33.42 O HETATM 1175 O HOH 8 88.713 10.598 -6.138 1.00 30.73 O HETATM 1176 O HOH 9 75.665 18.668 10.939 1.00 49.97 O HETATM 1177 O HOH 10 69.937 18.799 5.203 1.00 37.52 O HETATM 1178 O HOH 11 65.962 5.714 -4.821 1.00 36.67 O HETATM 1179 O HOH 12 69.473 2.542 -17.329 1.00 30.86 O HETATM 1180 O HOH 13 79.331 -3.684 -8.932 1.00 27.15 O HETATM 1181 O HOH 14 82.191 -5.604 -0.436 1.00 42.01 O HETATM 1182 O HOH 15 85.699 19.806 -8.288 1.00 37.09 O HETATM 1183 O HOH 16 91.662 14.752 -11.325 1.00 43.10 O HETATM 1184 O HOH 17 89.897 16.302 -4.214 1.00 42.38 O HETATM 1185 O HOH 18 80.377 5.729 -6.502 1.00 18.79 O HETATM 1186 O HOH 19 84.083 21.944 -11.328 1.00 39.99 O HETATM 1187 O HOH 20 75.912 7.729 26.359 1.00 49.47 O HETATM 1188 O HOH 21 77.964 3.041 -5.309 1.00 18.29 O HETATM 1189 O HOH 22 65.045 0.863 10.936 1.00 43.74 O HETATM 1190 O HOH 23 82.724 -1.157 1.686 1.00 31.89 O HETATM 1191 O HOH 24 69.697 3.960 -10.631 1.00 29.46 O HETATM 1192 O HOH 25 87.576 16.404 -12.993 1.00 35.79 O HETATM 1193 O HOH 26 78.452 -1.729 3.153 1.00 30.04 O HETATM 1194 O HOH 27 74.423 7.097 -6.562 1.00 22.20 O HETATM 1195 O HOH 28 77.709 -6.409 -5.891 1.00 35.86 O HETATM 1196 O HOH 29 84.135 7.011 3.806 1.00 27.85 O HETATM 1197 O HOH 30 75.990 -3.042 6.049 1.00 33.39 O HETATM 1198 O HOH 31 69.844 20.503 -5.367 1.00 34.22 O HETATM 1199 O HOH 32 84.269 0.883 -1.095 1.00 30.82 O HETATM 1200 O HOH 33 88.465 -2.053 -7.024 1.00 37.93 O HETATM 1201 O HOH 34 78.693 5.824 -4.318 1.00 18.85 O HETATM 1202 O HOH 35 79.036 10.718 -16.766 1.00 40.22 O HETATM 1203 O HOH 36 64.684 14.398 4.415 1.00 38.44 O HETATM 1204 O HOH 37 73.662 1.270 -5.049 1.00 19.31 O HETATM 1205 O HOH 38 57.098 10.581 16.588 1.00 34.34 O HETATM 1206 O HOH 39 76.173 3.985 -21.945 1.00 47.05 O HETATM 1207 O HOH 40 90.313 7.732 -6.535 1.00 27.50 O HETATM 1208 O HOH 41 75.186 -3.819 2.413 1.00 28.36 O HETATM 1209 O HOH 42 75.120 1.061 -8.946 1.00 25.84 O HETATM 1210 O HOH 43 82.550 7.347 7.245 1.00 39.33 O HETATM 1211 O HOH 44 77.143 6.631 19.949 1.00 39.35 O HETATM 1212 O HOH 45 75.480 -3.679 -2.570 1.00 41.69 O HETATM 1213 O HOH 46 69.594 17.259 -3.726 1.00 22.56 O HETATM 1214 O HOH 47 68.086 12.103 -7.759 1.00 35.21 O HETATM 1215 O HOH 48 72.501 10.073 -20.158 1.00 31.09 O HETATM 1216 O HOH 49 82.072 0.339 5.236 1.00 26.49 O HETATM 1217 O HOH 50 74.543 0.452 -13.189 1.00 33.26 O HETATM 1218 O HOH 51 86.991 8.028 -12.865 1.00 40.97 O HETATM 1219 O HOH 52 86.874 17.492 -6.042 1.00 28.32 O HETATM 1220 O HOH 53 66.931 2.442 -4.612 1.00 48.65 O HETATM 1221 O HOH 54 68.126 15.846 11.046 1.00 33.48 O HETATM 1222 O HOH 55 82.153 12.156 -11.726 1.00 30.34 O HETATM 1223 O HOH 56 78.904 19.674 5.416 1.00 28.54 O HETATM 1224 O HOH 57 82.720 -1.378 -3.196 1.00 22.12 O HETATM 1225 O HOH 58 80.119 -0.950 -15.379 1.00 30.89 O HETATM 1226 O HOH 59 68.520 5.807 -14.096 1.00 45.90 O HETATM 1227 O HOH 60 72.586 7.139 -11.703 1.00 34.71 O HETATM 1228 O HOH 61 71.110 0.592 -16.174 1.00 39.50 O HETATM 1229 O HOH 62 88.302 4.793 -11.705 1.00 42.36 O HETATM 1230 O HOH 63 66.071 13.231 -6.501 1.00 41.13 O HETATM 1231 O HOH 64 64.421 14.984 12.927 1.00 41.46 O HETATM 1232 O HOH 65 72.742 8.088 -9.334 1.00 32.65 O HETATM 1233 O HOH 66 75.961 6.239 -4.608 1.00 25.25 O HETATM 1234 O HOH 67 83.229 17.449 -12.120 1.00 33.63 O HETATM 1235 O HOH 68 75.245 2.749 -6.580 1.00 19.28 O HETATM 1236 O HOH 69 69.556 25.200 -2.036 1.00 39.60 O HETATM 1237 O HOH 70 63.924 10.430 7.439 1.00 42.84 O HETATM 1238 O HOH 71 81.562 14.914 -10.781 1.00 21.57 O HETATM 1239 O HOH 72 80.226 -6.117 -10.356 1.00 34.49 O HETATM 1240 O HOH 73 74.142 -4.490 -0.811 1.00 42.51 O HETATM 1241 O HOH 74 66.706 -1.258 10.091 1.00 35.95 O HETATM 1242 O HOH 75 73.970 7.116 -21.868 1.00 47.19 O HETATM 1243 O HOH 76 70.945 21.826 1.617 1.00 23.35 O HETATM 1244 O HOH 77 85.105 10.206 -13.351 1.00 45.69 O HETATM 1245 O HOH 78 64.160 4.892 -0.936 1.00 43.62 O HETATM 1246 O HOH 79 68.064 12.075 -14.621 1.00 44.67 O HETATM 1247 O HOH 80 84.929 -2.230 -4.416 1.00 32.22 O HETATM 1248 O HOH 81 79.446 9.983 -20.295 1.00 52.48 O HETATM 1249 O HOH 82 74.502 -3.819 18.647 1.00 48.66 O HETATM 1250 O HOH 83 74.743 18.807 13.662 1.00 50.96 O HETATM 1251 O HOH 84 66.389 9.204 -13.951 1.00 47.85 O HETATM 1252 O HOH 85 73.994 -3.240 -4.399 1.00 48.04 O HETATM 1253 O HOH 86 76.540 0.109 19.109 1.00 47.46 O HETATM 1254 O HOH 87 63.763 2.859 11.429 1.00 52.69 O HETATM 1255 O HOH 88 90.176 5.940 -10.203 1.00 44.59 O HETATM 1256 O HOH 89 69.289 20.680 3.731 1.00 40.03 O HETATM 1257 O HOH 90 67.182 17.601 8.996 1.00 51.44 O HETATM 1258 O HOH 91 70.463 13.072 -13.623 1.00 49.51 O HETATM 1259 O HOH 92 69.738 20.339 -8.328 1.00 51.66 O HETATM 1260 O HOH 93 68.274 11.412 -17.152 1.00 32.44 O HETATM 1261 O HOH 94 68.320 23.900 -3.653 1.00 50.89 O HETATM 1262 O HOH 95 77.072 -5.058 -8.217 1.00 36.37 O HETATM 1263 O HOH 96 74.664 -3.717 -9.069 1.00 47.67 O HETATM 1264 O HOH 97 72.721 -1.219 -5.660 1.00 30.90 O HETATM 1265 O HOH 98 70.450 1.287 -11.512 1.00 43.51 O HETATM 1266 O HOH 99 81.023 21.175 4.548 1.00 40.19 O HETATM 1267 O HOH 100 68.050 -10.118 2.625 1.00 44.57 O HETATM 1268 O HOH 101 63.824 5.597 -3.032 1.00 43.19 O HETATM 1269 O HOH 102 81.617 11.110 -16.352 1.00 48.10 O HETATM 1270 O HOH 103 73.761 -1.270 -8.715 1.00 34.52 O HETATM 1271 O HOH 104 77.831 -2.461 -16.405 1.00 42.31 O HETATM 1272 O HOH 105 93.898 15.005 -10.080 1.00 39.94 O HETATM 1273 O HOH 106 71.111 11.610 -18.176 1.00 36.73 O HETATM 1274 C01 JWD A 107 78.081 11.318 -10.443 1.00 -0.06 C HETATM 1275 C05 JWD A 107 77.219 12.180 -11.135 1.00 -0.03 C HETATM 1276 C04 JWD A 107 75.835 11.878 -11.231 1.00 0.00 C HETATM 1277 C03 JWD A 107 75.328 10.704 -10.635 1.00 0.03 C HETATM 1278 C02 JWD A 107 76.204 9.858 -9.955 1.00 -0.06 C HETATM 1279 C06 JWD A 107 77.574 10.165 -9.858 1.00 -0.05 C HETATM 1280 C07 JWD A 107 78.462 9.270 -9.153 1.00 0.02 C HETATM 1281 C08 JWD A 107 79.565 8.676 -9.722 1.00 0.15 C HETATM 1282 O09 JWD A 107 80.174 7.884 -8.800 1.00 -0.17 O HETATM 1283 N10 JWD A 107 79.473 7.953 -7.607 1.00 -0.17 N HETATM 1284 C11 JWD A 107 78.444 8.787 -7.828 1.00 0.02 C HETATM 1285 C12 JWD A 107 77.473 9.084 -6.753 1.00 -0.03 C HETATM 1286 H3 JWD A 107 77.757 8.538 -5.841 1.00 0.04 H HETATM 1287 H4 JWD A 107 76.468 8.770 -7.070 1.00 0.04 H HETATM 1288 H5 JWD A 107 77.472 10.165 -6.548 1.00 0.04 H HETATM 1289 C13 JWD A 107 80.184 8.727 -11.054 1.00 0.01 C HETATM 1290 H6 JWD A 107 81.073 8.080 -11.070 1.00 0.05 H HETATM 1291 H7 JWD A 107 80.479 9.762 -11.282 1.00 0.05 H HETATM 1292 H8 JWD A 107 79.463 8.377 -11.807 1.00 0.05 H HETATM 1293 H2 JWD A 107 75.825 8.953 -9.495 1.00 0.05 H HETATM 1294 N14 JWD A 107 74.027 10.364 -10.694 1.00 -0.31 N HETATM 1295 C15 JWD A 107 73.178 11.181 -11.362 1.00 0.00 C HETATM 1296 C16 JWD A 107 73.561 12.349 -11.983 1.00 -0.04 C HETATM 1297 C17 JWD A 107 74.902 12.698 -11.915 1.00 -0.04 C HETATM 1298 H11 JWD A 107 75.241 13.611 -12.392 1.00 0.08 H HETATM 1299 H10 JWD A 107 72.843 12.971 -12.505 1.00 0.07 H HETATM 1300 H9 JWD A 107 72.133 10.898 -11.411 1.00 0.08 H HETATM 1301 C18 JWD A 107 77.779 13.382 -11.725 1.00 0.03 C HETATM 1302 C19 JWD A 107 78.596 13.423 -12.834 1.00 0.15 C HETATM 1303 O20 JWD A 107 78.926 14.719 -13.095 1.00 -0.17 O HETATM 1304 N21 JWD A 107 78.331 15.552 -12.156 1.00 -0.17 N HETATM 1305 C22 JWD A 107 77.641 14.744 -11.340 1.00 0.03 C HETATM 1306 C23 JWD A 107 76.874 15.302 -10.198 1.00 -0.03 C HETATM 1307 H12 JWD A 107 76.978 16.397 -10.187 1.00 0.04 H HETATM 1308 H13 JWD A 107 77.263 14.887 -9.257 1.00 0.04 H HETATM 1309 H14 JWD A 107 75.812 15.036 -10.305 1.00 0.04 H HETATM 1310 C24 JWD A 107 79.153 12.406 -13.748 1.00 0.01 C HETATM 1311 H15 JWD A 107 79.769 12.900 -14.514 1.00 0.05 H HETATM 1312 H16 JWD A 107 78.331 11.860 -14.234 1.00 0.05 H HETATM 1313 H17 JWD A 107 79.774 11.700 -13.177 1.00 0.05 H HETATM 1314 H1 JWD A 107 79.137 11.550 -10.365 1.00 0.05 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1274 1275 1279 1314 CONECT 1275 1274 1276 1301 CONECT 1276 1275 1277 1297 CONECT 1277 1276 1278 1294 CONECT 1278 1277 1279 1293 CONECT 1279 1274 1278 1280 CONECT 1280 1279 1281 1284 CONECT 1281 1280 1282 1289 CONECT 1282 1281 1283 CONECT 1283 1282 1284 CONECT 1284 1280 1283 1285 CONECT 1285 1284 1286 1287 1288 CONECT 1286 1285 CONECT 1287 1285 CONECT 1288 1285 CONECT 1289 1281 1290 1291 1292 CONECT 1290 1289 CONECT 1291 1289 CONECT 1292 1289 CONECT 1293 1278 CONECT 1294 1277 1295 CONECT 1295 1294 1296 1300 CONECT 1296 1295 1297 1299 CONECT 1297 1276 1296 1298 CONECT 1298 1297 CONECT 1299 1296 CONECT 1300 1295 CONECT 1301 1275 1302 1305 CONECT 1302 1301 1303 1310 CONECT 1303 1302 1304 CONECT 1304 1303 1305 CONECT 1305 1301 1304 1306 CONECT 1306 1305 1307 1308 1309 CONECT 1307 1306 CONECT 1308 1306 CONECT 1309 1306 CONECT 1310 1302 1311 1312 1313 CONECT 1311 1310 CONECT 1312 1310 CONECT 1313 1310 CONECT 1314 1274 MASTER 0 0 0 0 0 0 0 0 1313 1 45 9 END
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Structure:
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Related entries of code: 6mo8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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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
6mo8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 2
Ligand Name
JWD
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=1430nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Bioorg. Med. Chem. Vol. 27: pp. 457-469
Ligand Properties
Formula
C
1
9
H
1
7
N
3
O
2
Molecular Weight
319.357
Exact Mass
319.132
No. of atoms
41
No. of bonds
44
Polar Surface Area
64.95
LOGP Value
3.94 (
Computed with XLOGP3
)
4.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
Cc1onc(c1c1cc2ncccc2c(c1)c1c(C)noc1C)C
InChI String
InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
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):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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