Browse entries in the PDBbind-CN Database
HEADER 6MO7_COMPLEX COMPND 6MO7_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 JWA A 223 52 ATOM 1 N ARG A 74 44.116 -5.928 55.242 1.00 50.03 N ATOM 2 CA ARG A 74 44.498 -5.325 53.964 1.00 49.55 C ATOM 3 C ARG A 74 44.815 -3.832 54.070 1.00 48.44 C ATOM 4 O ARG A 74 44.255 -3.119 54.906 1.00 40.00 O ATOM 5 CB ARG A 74 43.382 -5.489 52.923 1.00 43.33 C ATOM 6 CG ARG A 74 43.090 -6.913 52.487 1.00 50.67 C ATOM 7 CD ARG A 74 42.291 -6.915 51.191 1.00 37.69 C ATOM 8 NE ARG A 74 41.083 -6.093 51.277 1.00 38.57 N ATOM 9 CZ ARG A 74 40.328 -5.763 50.230 1.00 48.36 C ATOM 10 NH1 ARG A 74 40.656 -6.183 49.012 1.00 47.77 N ATOM 11 NH2 ARG A 74 39.247 -5.009 50.394 1.00 43.61 N ATOM 12 HE ARG A 74 40.796 -5.745 52.214 1.00 0.00 H ATOM 13 HH12 ARG A 74 40.065 -5.924 48.196 1.00 0.00 H ATOM 14 HH11 ARG A 74 41.503 -6.770 48.875 1.00 0.00 H ATOM 15 HH22 ARG A 74 38.661 -4.754 49.573 1.00 0.00 H ATOM 16 HH21 ARG A 74 38.986 -4.673 51.343 1.00 0.00 H ATOM 17 HN3 ARG A 74 43.267 -5.452 55.608 1.00 0.00 H ATOM 18 HN2 ARG A 74 44.896 -5.820 55.922 1.00 0.00 H ATOM 19 HN1 ARG A 74 43.915 -6.939 55.101 1.00 0.00 H ATOM 20 N VAL A 75 45.710 -3.368 53.204 1.00 40.61 N ATOM 21 CA VAL A 75 45.842 -1.947 52.930 1.00 34.69 C ATOM 22 C VAL A 75 45.035 -1.634 51.672 1.00 39.64 C ATOM 23 O VAL A 75 45.260 -2.238 50.626 1.00 43.50 O ATOM 24 CB VAL A 75 47.315 -1.546 52.711 1.00 44.40 C ATOM 25 CG1 VAL A 75 47.404 -0.120 52.166 1.00 43.12 C ATOM 26 CG2 VAL A 75 48.114 -1.694 54.007 1.00 44.11 C ATOM 27 H VAL A 75 46.332 -4.039 52.710 1.00 0.00 H ATOM 28 N THR A 76 44.070 -0.721 51.770 1.00 26.10 N ATOM 29 CA THR A 76 43.323 -0.301 50.590 1.00 29.09 C ATOM 30 C THR A 76 43.403 1.212 50.441 1.00 35.02 C ATOM 31 O THR A 76 43.720 1.917 51.399 1.00 29.55 O ATOM 32 CB THR A 76 41.828 -0.714 50.645 1.00 33.79 C ATOM 33 OG1 THR A 76 41.142 0.075 51.632 1.00 31.20 O ATOM 34 CG2 THR A 76 41.681 -2.202 50.974 1.00 37.89 C ATOM 35 HG1 THR A 76 40.189 -0.193 51.663 1.00 0.00 H ATOM 36 H THR A 76 43.847 -0.304 52.696 1.00 0.00 H ATOM 37 N ASN A 77 43.107 1.706 49.243 1.00 28.02 N ATOM 38 CA ASN A 77 43.037 3.142 49.019 1.00 24.97 C ATOM 39 C ASN A 77 42.075 3.803 50.011 1.00 33.75 C ATOM 40 O ASN A 77 42.341 4.881 50.541 1.00 28.08 O ATOM 41 CB ASN A 77 42.621 3.459 47.576 1.00 29.82 C ATOM 42 CG ASN A 77 41.325 2.761 47.155 1.00 31.87 C ATOM 43 OD1 ASN A 77 40.922 1.757 47.740 1.00 27.72 O ATOM 44 ND2 ASN A 77 40.683 3.288 46.120 1.00 28.34 N ATOM 45 HD22 ASN A 77 41.058 4.138 45.653 1.00 0.00 H ATOM 46 HD21 ASN A 77 39.805 2.851 45.775 1.00 0.00 H ATOM 47 H ASN A 77 42.922 1.055 48.453 1.00 0.00 H ATOM 48 N GLN A 78 40.959 3.139 50.265 1.00 31.04 N ATOM 49 CA GLN A 78 39.940 3.696 51.140 1.00 34.41 C ATOM 50 C GLN A 78 40.395 3.726 52.600 1.00 26.76 C ATOM 51 O GLN A 78 40.165 4.709 53.300 1.00 30.90 O ATOM 52 CB GLN A 78 38.626 2.922 50.995 1.00 28.91 C ATOM 53 CG GLN A 78 37.883 3.151 49.680 1.00 29.01 C ATOM 54 CD GLN A 78 36.523 2.481 49.691 1.00 30.94 C ATOM 55 OE1 GLN A 78 36.318 1.500 50.402 1.00 26.48 O ATOM 56 NE2 GLN A 78 35.581 3.018 48.920 1.00 35.69 N ATOM 57 HE22 GLN A 78 35.800 3.849 48.334 1.00 0.00 H ATOM 58 HE21 GLN A 78 34.626 2.607 48.903 1.00 0.00 H ATOM 59 H GLN A 78 40.809 2.205 49.833 1.00 0.00 H ATOM 60 N LEU A 79 41.027 2.653 53.067 1.00 26.16 N ATOM 61 CA LEU A 79 41.537 2.629 54.439 1.00 24.89 C ATOM 62 C LEU A 79 42.656 3.658 54.644 1.00 32.64 C ATOM 63 O LEU A 79 42.787 4.242 55.724 1.00 26.13 O ATOM 64 CB LEU A 79 41.983 1.216 54.848 1.00 25.84 C ATOM 65 CG LEU A 79 40.814 0.258 55.122 1.00 27.08 C ATOM 66 CD1 LEU A 79 41.208 -1.229 54.998 1.00 28.19 C ATOM 67 CD2 LEU A 79 40.206 0.546 56.495 1.00 27.77 C ATOM 68 H LEU A 79 41.160 1.824 52.453 1.00 0.00 H ATOM 69 N GLN A 80 43.461 3.891 53.612 1.00 28.12 N ATOM 70 CA GLN A 80 44.501 4.908 53.717 1.00 30.59 C ATOM 71 C GLN A 80 43.841 6.267 53.900 1.00 27.14 C ATOM 72 O GLN A 80 44.289 7.077 54.707 1.00 26.33 O ATOM 73 CB GLN A 80 45.409 4.916 52.481 1.00 27.81 C ATOM 74 CG GLN A 80 46.342 3.704 52.378 1.00 27.12 C ATOM 75 CD GLN A 80 47.234 3.780 51.147 1.00 32.25 C ATOM 76 OE1 GLN A 80 46.858 4.378 50.135 1.00 33.38 O ATOM 77 NE2 GLN A 80 48.421 3.186 51.231 1.00 34.26 N ATOM 78 HE22 GLN A 80 48.695 2.693 52.105 1.00 0.00 H ATOM 79 HE21 GLN A 80 49.075 3.214 50.423 1.00 0.00 H ATOM 80 H GLN A 80 43.349 3.349 52.731 1.00 0.00 H ATOM 81 N TYR A 81 42.765 6.499 53.150 1.00 27.68 N ATOM 82 CA TYR A 81 41.986 7.731 53.257 1.00 22.07 C ATOM 83 C TYR A 81 41.370 7.899 54.659 1.00 31.29 C ATOM 84 O TYR A 81 41.481 8.964 55.282 1.00 25.45 O ATOM 85 CB TYR A 81 40.891 7.759 52.183 1.00 20.91 C ATOM 86 CG TYR A 81 40.030 9.007 52.217 1.00 25.05 C ATOM 87 CD1 TYR A 81 40.376 10.123 51.482 1.00 25.59 C ATOM 88 CD2 TYR A 81 38.870 9.066 52.993 1.00 24.45 C ATOM 89 CE1 TYR A 81 39.592 11.272 51.504 1.00 29.92 C ATOM 90 CE2 TYR A 81 38.084 10.206 53.025 1.00 25.37 C ATOM 91 CZ TYR A 81 38.454 11.309 52.276 1.00 31.86 C ATOM 92 OH TYR A 81 37.687 12.451 52.288 1.00 26.34 O ATOM 93 HH TYR A 81 36.777 12.239 51.961 1.00 0.00 H ATOM 94 H TYR A 81 42.468 5.777 52.463 1.00 0.00 H ATOM 95 N LEU A 82 40.728 6.848 55.163 1.00 28.07 N ATOM 96 CA LEU A 82 40.123 6.921 56.500 1.00 23.87 C ATOM 97 C LEU A 82 41.170 7.229 57.557 1.00 28.39 C ATOM 98 O LEU A 82 40.888 7.911 58.540 1.00 25.96 O ATOM 99 CB LEU A 82 39.405 5.623 56.853 1.00 24.99 C ATOM 100 CG LEU A 82 38.151 5.371 56.023 1.00 28.85 C ATOM 101 CD1 LEU A 82 37.676 3.948 56.195 1.00 25.20 C ATOM 102 CD2 LEU A 82 37.068 6.363 56.418 1.00 34.11 C ATOM 103 H LEU A 82 40.654 5.971 54.608 1.00 0.00 H ATOM 104 N HIS A 83 42.384 6.737 57.342 1.00 25.11 N ATOM 105 CA HIS A 83 43.474 6.945 58.291 1.00 26.91 C ATOM 106 C HIS A 83 44.075 8.351 58.181 1.00 27.28 C ATOM 107 O HIS A 83 44.162 9.074 59.174 1.00 29.03 O ATOM 108 CB HIS A 83 44.553 5.891 58.055 1.00 27.04 C ATOM 109 CG HIS A 83 45.667 5.913 59.055 1.00 37.97 C ATOM 110 ND1 HIS A 83 45.649 6.703 60.185 1.00 38.43 N ATOM 111 CD2 HIS A 83 46.838 5.230 59.096 1.00 43.36 C ATOM 112 CE1 HIS A 83 46.760 6.512 60.873 1.00 33.52 C ATOM 113 NE2 HIS A 83 47.498 5.620 60.236 1.00 52.91 N ATOM 114 H HIS A 83 42.563 6.190 56.476 1.00 0.00 H ATOM 115 N LYS A 84 44.477 8.732 56.968 1.00 27.69 N ATOM 116 CA LYS A 84 45.213 9.982 56.746 1.00 28.29 C ATOM 117 C LYS A 84 44.335 11.219 56.602 1.00 28.27 C ATOM 118 O LYS A 84 44.814 12.343 56.768 1.00 26.07 O ATOM 119 CB LYS A 84 46.129 9.848 55.523 1.00 25.45 C ATOM 120 CG LYS A 84 47.262 8.860 55.717 1.00 34.73 C ATOM 121 CD LYS A 84 48.109 9.246 56.933 1.00 56.13 C ATOM 122 CE LYS A 84 49.326 8.344 57.091 1.00 58.95 C ATOM 123 NZ LYS A 84 48.955 6.935 57.402 1.00 64.05 N ATOM 124 HZ1 LYS A 84 48.418 6.908 58.292 1.00 0.00 H ATOM 125 HZ2 LYS A 84 48.371 6.553 56.631 1.00 0.00 H ATOM 126 HZ3 LYS A 84 49.819 6.364 57.499 1.00 0.00 H ATOM 127 H LYS A 84 44.262 8.123 56.153 1.00 0.00 H ATOM 128 N VAL A 85 43.058 11.037 56.277 1.00 20.62 N ATOM 129 CA VAL A 85 42.171 12.188 56.179 1.00 28.80 C ATOM 130 C VAL A 85 41.143 12.223 57.308 1.00 32.41 C ATOM 131 O VAL A 85 41.041 13.212 58.036 1.00 23.88 O ATOM 132 CB VAL A 85 41.467 12.279 54.799 1.00 26.80 C ATOM 133 CG1 VAL A 85 40.475 13.430 54.776 1.00 29.32 C ATOM 134 CG2 VAL A 85 42.503 12.452 53.681 1.00 33.19 C ATOM 135 H VAL A 85 42.696 10.080 56.094 1.00 0.00 H ATOM 136 N VAL A 86 40.388 11.144 57.463 1.00 24.27 N ATOM 137 CA VAL A 86 39.294 11.147 58.427 1.00 27.63 C ATOM 138 C VAL A 86 39.794 11.111 59.874 1.00 27.32 C ATOM 139 O VAL A 86 39.492 12.016 60.646 1.00 27.18 O ATOM 140 CB VAL A 86 38.280 10.013 58.180 1.00 26.51 C ATOM 141 CG1 VAL A 86 37.190 10.055 59.244 1.00 32.08 C ATOM 142 CG2 VAL A 86 37.666 10.131 56.779 1.00 22.60 C ATOM 143 H VAL A 86 40.577 10.293 56.895 1.00 0.00 H ATOM 144 N MET A 87 40.548 10.075 60.237 1.00 22.62 N ATOM 145 CA MET A 87 41.068 9.961 61.601 1.00 23.93 C ATOM 146 C MET A 87 41.996 11.128 61.944 1.00 30.39 C ATOM 147 O MET A 87 41.972 11.655 63.059 1.00 27.93 O ATOM 148 CB MET A 87 41.798 8.642 61.820 1.00 25.99 C ATOM 149 CG MET A 87 42.388 8.517 63.232 1.00 26.70 C ATOM 150 SD MET A 87 41.093 8.638 64.510 1.00 29.39 S ATOM 151 CE MET A 87 40.480 6.934 64.491 1.00 27.07 C ATOM 152 H MET A 87 40.771 9.335 59.541 1.00 0.00 H ATOM 153 N LYS A 88 42.812 11.532 60.980 1.00 24.90 N ATOM 154 CA LYS A 88 43.708 12.666 61.168 1.00 31.92 C ATOM 155 C LYS A 88 42.927 13.892 61.644 1.00 28.02 C ATOM 156 O LYS A 88 43.307 14.515 62.630 1.00 31.63 O ATOM 157 CB LYS A 88 44.467 12.974 59.865 1.00 29.16 C ATOM 158 CG LYS A 88 45.356 14.210 59.933 1.00 40.22 C ATOM 159 CD LYS A 88 46.806 13.864 59.619 1.00 56.00 C ATOM 160 CE LYS A 88 47.370 12.886 60.647 1.00 48.70 C ATOM 161 NZ LYS A 88 48.783 12.492 60.360 1.00 76.28 N ATOM 162 HZ1 LYS A 88 48.832 12.035 59.427 1.00 0.00 H ATOM 163 HZ2 LYS A 88 49.386 13.340 60.364 1.00 0.00 H ATOM 164 HZ3 LYS A 88 49.112 11.828 61.090 1.00 0.00 H ATOM 165 H LYS A 88 42.813 11.029 60.070 1.00 0.00 H ATOM 166 N ALA A 89 41.839 14.225 60.945 1.00 26.09 N ATOM 167 CA ALA A 89 40.976 15.356 61.312 1.00 24.05 C ATOM 168 C ALA A 89 40.286 15.195 62.681 1.00 31.30 C ATOM 169 O ALA A 89 40.269 16.120 63.494 1.00 27.87 O ATOM 170 CB ALA A 89 39.941 15.614 60.221 1.00 27.84 C ATOM 171 H ALA A 89 41.593 13.661 60.107 1.00 0.00 H ATOM 172 N LEU A 90 39.729 14.016 62.943 1.00 21.77 N ATOM 173 CA LEU A 90 38.989 13.789 64.184 1.00 24.53 C ATOM 174 C LEU A 90 39.878 13.710 65.414 1.00 21.05 C ATOM 175 O LEU A 90 39.546 14.243 66.469 1.00 24.69 O ATOM 176 CB LEU A 90 38.150 12.511 64.088 1.00 24.09 C ATOM 177 CG LEU A 90 37.065 12.454 63.011 1.00 33.79 C ATOM 178 CD1 LEU A 90 36.242 11.187 63.193 1.00 29.95 C ATOM 179 CD2 LEU A 90 36.174 13.647 63.076 1.00 28.64 C ATOM 180 H LEU A 90 39.821 13.243 62.254 1.00 0.00 H ATOM 181 N TRP A 91 41.012 13.038 65.287 1.00 19.54 N ATOM 182 CA TRP A 91 41.892 12.806 66.430 1.00 22.29 C ATOM 183 C TRP A 91 42.342 14.114 67.085 1.00 24.70 C ATOM 184 O TRP A 91 42.442 14.204 68.305 1.00 26.41 O ATOM 185 CB TRP A 91 43.126 12.002 66.004 1.00 26.36 C ATOM 186 CG TRP A 91 44.002 11.582 67.161 1.00 26.88 C ATOM 187 CD1 TRP A 91 45.190 12.147 67.545 1.00 31.52 C ATOM 188 CD2 TRP A 91 43.743 10.521 68.093 1.00 26.61 C ATOM 189 NE1 TRP A 91 45.686 11.494 68.652 1.00 31.01 N ATOM 190 CE2 TRP A 91 44.820 10.493 69.006 1.00 26.08 C ATOM 191 CE3 TRP A 91 42.714 9.581 68.232 1.00 24.71 C ATOM 192 CZ2 TRP A 91 44.897 9.559 70.047 1.00 24.64 C ATOM 193 CZ3 TRP A 91 42.789 8.660 69.266 1.00 22.05 C ATOM 194 CH2 TRP A 91 43.876 8.653 70.157 1.00 27.38 C ATOM 195 HE1 TRP A 91 46.575 11.724 69.140 1.00 0.00 H ATOM 196 H TRP A 91 41.282 12.667 64.354 1.00 0.00 H ATOM 197 N LYS A 92 42.617 15.126 66.274 1.00 27.64 N ATOM 198 CA LYS A 92 43.188 16.362 66.806 1.00 27.21 C ATOM 199 C LYS A 92 42.137 17.428 67.093 1.00 32.21 C ATOM 200 O LYS A 92 42.481 18.543 67.489 1.00 28.39 O ATOM 201 CB LYS A 92 44.243 16.929 65.847 1.00 33.20 C ATOM 202 CG LYS A 92 43.679 17.354 64.493 1.00 36.06 C ATOM 203 CD LYS A 92 44.786 17.927 63.606 1.00 53.28 C ATOM 204 CE LYS A 92 44.280 18.274 62.213 1.00 53.05 C ATOM 205 NZ LYS A 92 43.247 19.354 62.222 1.00 57.36 N ATOM 206 HZ1 LYS A 92 42.431 19.047 62.789 1.00 0.00 H ATOM 207 HZ2 LYS A 92 43.653 20.217 62.636 1.00 0.00 H ATOM 208 HZ3 LYS A 92 42.941 19.547 61.247 1.00 0.00 H ATOM 209 H LYS A 92 42.426 15.040 65.255 1.00 0.00 H ATOM 210 N HIS A 93 40.864 17.090 66.888 1.00 23.00 N ATOM 211 CA HIS A 93 39.760 18.029 67.117 1.00 22.00 C ATOM 212 C HIS A 93 39.651 18.371 68.604 1.00 16.79 C ATOM 213 O HIS A 93 39.895 17.528 69.464 1.00 21.11 O ATOM 214 CB HIS A 93 38.445 17.405 66.627 1.00 24.63 C ATOM 215 CG HIS A 93 37.314 18.381 66.495 1.00 21.86 C ATOM 216 ND1 HIS A 93 36.561 18.801 67.571 1.00 18.58 N ATOM 217 CD2 HIS A 93 36.791 18.993 65.408 1.00 22.20 C ATOM 218 CE1 HIS A 93 35.635 19.647 67.153 1.00 20.62 C ATOM 219 NE2 HIS A 93 35.752 19.778 65.844 1.00 27.41 N ATOM 220 H HIS A 93 40.646 16.129 66.555 1.00 0.00 H ATOM 221 N GLN A 94 39.281 19.612 68.907 1.00 20.25 N ATOM 222 CA GLN A 94 39.196 20.051 70.298 1.00 21.69 C ATOM 223 C GLN A 94 38.160 19.264 71.116 1.00 22.38 C ATOM 224 O GLN A 94 38.207 19.256 72.349 1.00 21.81 O ATOM 225 CB GLN A 94 38.878 21.537 70.365 1.00 19.95 C ATOM 226 CG GLN A 94 37.576 21.902 69.685 1.00 21.84 C ATOM 227 CD GLN A 94 36.891 23.076 70.354 1.00 36.78 C ATOM 228 OE1 GLN A 94 37.133 23.357 71.528 1.00 34.43 O ATOM 229 NE2 GLN A 94 36.029 23.769 69.610 1.00 32.04 N ATOM 230 HE22 GLN A 94 35.857 23.494 68.622 1.00 0.00 H ATOM 231 HE21 GLN A 94 35.529 24.585 70.018 1.00 0.00 H ATOM 232 H GLN A 94 39.049 20.279 68.144 1.00 0.00 H ATOM 233 N PHE A 95 37.234 18.599 70.432 1.00 20.14 N ATOM 234 CA PHE A 95 36.210 17.808 71.111 1.00 19.48 C ATOM 235 C PHE A 95 36.561 16.326 71.139 1.00 22.54 C ATOM 236 O PHE A 95 35.806 15.528 71.674 1.00 19.83 O ATOM 237 CB PHE A 95 34.843 17.962 70.442 1.00 23.58 C ATOM 238 CG PHE A 95 34.200 19.315 70.628 1.00 23.52 C ATOM 239 CD1 PHE A 95 34.657 20.207 71.587 1.00 26.33 C ATOM 240 CD2 PHE A 95 33.107 19.678 69.843 1.00 20.74 C ATOM 241 CE1 PHE A 95 34.040 21.447 71.745 1.00 34.55 C ATOM 242 CE2 PHE A 95 32.493 20.916 69.992 1.00 26.10 C ATOM 243 CZ PHE A 95 32.956 21.796 70.946 1.00 25.37 C ATOM 244 H PHE A 95 37.239 18.643 69.393 1.00 0.00 H ATOM 245 N ALA A 96 37.711 15.959 70.582 1.00 20.70 N ATOM 246 CA ALA A 96 38.096 14.548 70.475 1.00 25.13 C ATOM 247 C ALA A 96 38.435 13.872 71.806 1.00 25.23 C ATOM 248 O ALA A 96 38.241 12.655 71.955 1.00 18.55 O ATOM 249 CB ALA A 96 39.267 14.392 69.485 1.00 23.81 C ATOM 250 H ALA A 96 38.353 16.690 70.213 1.00 0.00 H ATOM 251 N TRP A 97 38.920 14.650 72.780 1.00 22.41 N ATOM 252 CA TRP A 97 39.545 14.063 73.973 1.00 26.41 C ATOM 253 C TRP A 97 38.744 12.985 74.747 1.00 21.61 C ATOM 254 O TRP A 97 39.313 11.970 75.156 1.00 23.70 O ATOM 255 CB TRP A 97 40.159 15.147 74.895 1.00 28.69 C ATOM 256 CG TRP A 97 39.176 16.043 75.574 1.00 26.82 C ATOM 257 CD1 TRP A 97 38.728 17.259 75.140 1.00 29.86 C ATOM 258 CD2 TRP A 97 38.517 15.791 76.820 1.00 25.45 C ATOM 259 NE1 TRP A 97 37.822 17.774 76.040 1.00 30.36 N ATOM 260 CE2 TRP A 97 37.675 16.889 77.078 1.00 32.63 C ATOM 261 CE3 TRP A 97 38.551 14.737 77.737 1.00 29.54 C ATOM 262 CZ2 TRP A 97 36.883 16.967 78.223 1.00 37.38 C ATOM 263 CZ3 TRP A 97 37.760 14.815 78.871 1.00 29.92 C ATOM 264 CH2 TRP A 97 36.942 15.920 79.105 1.00 30.80 C ATOM 265 HE1 TRP A 97 37.329 18.685 75.948 1.00 0.00 H ATOM 266 H TRP A 97 38.854 15.684 72.692 1.00 0.00 H ATOM 267 N PRO A 98 37.422 13.170 74.918 1.00 19.39 N ATOM 268 CA PRO A 98 36.651 12.107 75.594 1.00 20.76 C ATOM 269 C PRO A 98 36.529 10.821 74.781 1.00 20.21 C ATOM 270 O PRO A 98 36.145 9.800 75.341 1.00 21.03 O ATOM 271 CB PRO A 98 35.252 12.712 75.736 1.00 23.80 C ATOM 272 CG PRO A 98 35.446 14.203 75.568 1.00 23.04 C ATOM 273 CD PRO A 98 36.595 14.349 74.619 1.00 22.52 C ATOM 274 N PHE A 99 36.817 10.890 73.482 1.00 21.13 N ATOM 275 CA PHE A 99 36.628 9.764 72.571 1.00 17.54 C ATOM 276 C PHE A 99 37.928 9.033 72.206 1.00 24.58 C ATOM 277 O PHE A 99 37.899 8.035 71.462 1.00 23.20 O ATOM 278 CB PHE A 99 35.939 10.235 71.275 1.00 20.48 C ATOM 279 CG PHE A 99 34.607 10.910 71.503 1.00 22.79 C ATOM 280 CD1 PHE A 99 33.425 10.188 71.430 1.00 24.75 C ATOM 281 CD2 PHE A 99 34.542 12.269 71.791 1.00 17.98 C ATOM 282 CE1 PHE A 99 32.202 10.814 71.659 1.00 18.93 C ATOM 283 CE2 PHE A 99 33.325 12.901 72.016 1.00 21.61 C ATOM 284 CZ PHE A 99 32.156 12.172 71.951 1.00 20.33 C ATOM 285 H PHE A 99 37.192 11.782 73.101 1.00 0.00 H ATOM 286 N ARG A 100 39.059 9.511 72.719 1.00 20.85 N ATOM 287 CA ARG A 100 40.368 8.943 72.344 1.00 22.17 C ATOM 288 C ARG A 100 40.717 7.636 73.053 1.00 28.34 C ATOM 289 O ARG A 100 41.728 7.011 72.743 1.00 23.07 O ATOM 290 CB ARG A 100 41.494 9.951 72.598 1.00 22.46 C ATOM 291 CG ARG A 100 41.454 11.164 71.677 1.00 25.01 C ATOM 292 CD ARG A 100 42.625 12.092 72.000 1.00 29.15 C ATOM 293 NE ARG A 100 42.633 13.277 71.153 1.00 31.23 N ATOM 294 CZ ARG A 100 42.983 14.484 71.581 1.00 33.74 C ATOM 295 NH1 ARG A 100 43.351 14.651 72.846 1.00 36.91 N ATOM 296 NH2 ARG A 100 42.968 15.519 70.748 1.00 32.00 N ATOM 297 HE ARG A 100 42.349 13.172 70.158 1.00 0.00 H ATOM 298 HH12 ARG A 100 43.626 15.594 73.187 1.00 0.00 H ATOM 299 HH11 ARG A 100 43.364 13.839 73.495 1.00 0.00 H ATOM 300 HH22 ARG A 100 43.243 16.463 71.087 1.00 0.00 H ATOM 301 HH21 ARG A 100 42.681 15.385 69.757 1.00 0.00 H ATOM 302 H ARG A 100 39.019 10.299 73.396 1.00 0.00 H ATOM 303 N GLN A 101 39.900 7.243 74.018 1.00 25.85 N ATOM 304 CA GLN A 101 40.135 6.012 74.767 1.00 25.24 C ATOM 305 C GLN A 101 38.793 5.457 75.214 1.00 20.58 C ATOM 306 O GLN A 101 37.794 6.182 75.212 1.00 22.32 O ATOM 307 CB GLN A 101 41.033 6.261 75.985 1.00 25.66 C ATOM 308 CG GLN A 101 40.476 7.250 76.986 1.00 31.06 C ATOM 309 CD GLN A 101 40.453 8.676 76.450 1.00 46.38 C ATOM 310 OE1 GLN A 101 41.447 9.156 75.895 1.00 38.65 O ATOM 311 NE2 GLN A 101 39.316 9.359 76.611 1.00 27.03 N ATOM 312 HE22 GLN A 101 38.504 8.914 77.085 1.00 0.00 H ATOM 313 HE21 GLN A 101 39.243 10.336 76.263 1.00 0.00 H ATOM 314 H GLN A 101 39.070 7.826 74.248 1.00 0.00 H ATOM 315 N PRO A 102 38.764 4.171 75.591 1.00 23.16 N ATOM 316 CA PRO A 102 37.497 3.544 75.983 1.00 22.43 C ATOM 317 C PRO A 102 36.821 4.310 77.115 1.00 24.02 C ATOM 318 O PRO A 102 37.490 4.865 77.981 1.00 23.02 O ATOM 319 CB PRO A 102 37.922 2.148 76.460 1.00 24.72 C ATOM 320 CG PRO A 102 39.205 1.863 75.703 1.00 26.52 C ATOM 321 CD PRO A 102 39.886 3.213 75.573 1.00 21.43 C ATOM 322 N VAL A 103 35.495 4.346 77.095 1.00 18.23 N ATOM 323 CA VAL A 103 34.739 4.880 78.223 1.00 21.04 C ATOM 324 C VAL A 103 35.121 4.057 79.446 1.00 21.16 C ATOM 325 O VAL A 103 34.970 2.843 79.449 1.00 20.76 O ATOM 326 CB VAL A 103 33.221 4.753 77.987 1.00 25.95 C ATOM 327 CG1 VAL A 103 32.445 5.245 79.213 1.00 24.96 C ATOM 328 CG2 VAL A 103 32.807 5.528 76.725 1.00 17.58 C ATOM 329 H VAL A 103 34.986 3.988 76.262 1.00 0.00 H ATOM 330 N ASP A 104 35.634 4.721 80.470 1.00 24.21 N ATOM 331 CA ASP A 104 36.018 4.039 81.707 1.00 23.96 C ATOM 332 C ASP A 104 34.876 4.154 82.728 1.00 20.19 C ATOM 333 O ASP A 104 34.762 5.161 83.410 1.00 29.27 O ATOM 334 CB ASP A 104 37.291 4.688 82.262 1.00 24.37 C ATOM 335 CG ASP A 104 37.784 4.020 83.542 1.00 34.05 C ATOM 336 OD1 ASP A 104 36.976 3.354 84.224 1.00 27.33 O ATOM 337 OD2 ASP A 104 38.980 4.176 83.869 1.00 26.84 O ATOM 338 H ASP A 104 35.767 5.750 80.394 1.00 0.00 H ATOM 339 N ALA A 105 34.042 3.120 82.826 1.00 19.27 N ATOM 340 CA ALA A 105 32.830 3.167 83.657 1.00 20.43 C ATOM 341 C ALA A 105 33.107 3.324 85.153 1.00 31.54 C ATOM 342 O ALA A 105 32.280 3.868 85.906 1.00 29.96 O ATOM 343 CB ALA A 105 31.971 1.922 83.409 1.00 23.94 C ATOM 344 H ALA A 105 34.255 2.250 82.297 1.00 0.00 H ATOM 345 N VAL A 106 34.260 2.835 85.589 1.00 26.94 N ATOM 346 CA VAL A 106 34.663 3.003 86.983 1.00 25.72 C ATOM 347 C VAL A 106 35.036 4.460 87.227 1.00 26.10 C ATOM 348 O VAL A 106 34.496 5.106 88.121 1.00 24.63 O ATOM 349 CB VAL A 106 35.835 2.072 87.351 1.00 26.99 C ATOM 350 CG1 VAL A 106 36.223 2.260 88.820 1.00 32.93 C ATOM 351 CG2 VAL A 106 35.458 0.628 87.089 1.00 31.96 C ATOM 352 H VAL A 106 34.884 2.326 84.931 1.00 0.00 H ATOM 353 N LYS A 107 35.929 4.999 86.402 1.00 21.07 N ATOM 354 CA LYS A 107 36.328 6.392 86.540 1.00 24.29 C ATOM 355 C LYS A 107 35.143 7.345 86.503 1.00 26.69 C ATOM 356 O LYS A 107 35.102 8.330 87.249 1.00 25.98 O ATOM 357 CB LYS A 107 37.329 6.803 85.446 1.00 24.93 C ATOM 358 CG LYS A 107 37.744 8.268 85.558 1.00 29.64 C ATOM 359 CD LYS A 107 38.955 8.605 84.702 1.00 27.55 C ATOM 360 CE LYS A 107 38.623 8.633 83.224 1.00 36.43 C ATOM 361 NZ LYS A 107 39.840 8.988 82.421 1.00 40.29 N ATOM 362 HZ1 LYS A 107 40.183 9.927 82.710 1.00 0.00 H ATOM 363 HZ2 LYS A 107 40.583 8.280 82.588 1.00 0.00 H ATOM 364 HZ3 LYS A 107 39.595 9.003 81.410 1.00 0.00 H ATOM 365 H LYS A 107 36.348 4.418 85.648 1.00 0.00 H ATOM 366 N LEU A 108 34.192 7.070 85.616 1.00 26.99 N ATOM 367 CA LEU A 108 33.095 8.009 85.382 1.00 24.96 C ATOM 368 C LEU A 108 31.884 7.780 86.299 1.00 29.41 C ATOM 369 O LEU A 108 30.937 8.573 86.300 1.00 36.17 O ATOM 370 CB LEU A 108 32.688 8.001 83.901 1.00 20.03 C ATOM 371 CG LEU A 108 33.790 8.415 82.917 1.00 26.12 C ATOM 372 CD1 LEU A 108 33.359 8.225 81.452 1.00 21.63 C ATOM 373 CD2 LEU A 108 34.256 9.849 83.153 1.00 30.47 C ATOM 374 H LEU A 108 34.228 6.178 85.083 1.00 0.00 H ATOM 375 N GLY A 109 31.930 6.714 87.092 1.00 25.84 N ATOM 376 CA GLY A 109 30.853 6.391 88.013 1.00 34.05 C ATOM 377 C GLY A 109 29.589 5.917 87.318 1.00 37.53 C ATOM 378 O GLY A 109 28.491 6.356 87.663 1.00 31.76 O ATOM 379 H GLY A 109 32.762 6.092 87.052 1.00 0.00 H ATOM 380 N LEU A 110 29.745 5.013 86.349 1.00 30.01 N ATOM 381 CA LEU A 110 28.633 4.563 85.507 1.00 30.40 C ATOM 382 C LEU A 110 28.510 3.044 85.523 1.00 31.51 C ATOM 383 O LEU A 110 28.881 2.373 84.561 1.00 29.14 O ATOM 384 CB LEU A 110 28.831 5.040 84.069 1.00 31.76 C ATOM 385 CG LEU A 110 29.150 6.516 83.848 1.00 27.51 C ATOM 386 CD1 LEU A 110 29.486 6.778 82.376 1.00 31.46 C ATOM 387 CD2 LEU A 110 27.999 7.407 84.303 1.00 39.48 C ATOM 388 H LEU A 110 30.691 4.613 86.185 1.00 0.00 H ATOM 389 N PRO A 111 27.986 2.492 86.624 1.00 32.12 N ATOM 390 CA PRO A 111 27.984 1.040 86.817 1.00 32.08 C ATOM 391 C PRO A 111 27.037 0.322 85.861 1.00 35.23 C ATOM 392 O PRO A 111 27.129 -0.897 85.730 1.00 33.87 O ATOM 393 CB PRO A 111 27.520 0.880 88.275 1.00 33.38 C ATOM 394 CG PRO A 111 26.714 2.078 88.545 1.00 33.43 C ATOM 395 CD PRO A 111 27.353 3.202 87.750 1.00 34.07 C ATOM 396 N ASP A 112 26.157 1.066 85.191 1.00 27.07 N ATOM 397 CA ASP A 112 25.244 0.459 84.229 1.00 33.98 C ATOM 398 C ASP A 112 25.750 0.589 82.797 1.00 32.76 C ATOM 399 O ASP A 112 25.122 0.070 81.873 1.00 27.56 O ATOM 400 CB ASP A 112 23.847 1.081 84.332 1.00 31.33 C ATOM 401 CG ASP A 112 23.812 2.518 83.857 1.00 39.72 C ATOM 402 OD1 ASP A 112 24.874 3.176 83.850 1.00 35.27 O ATOM 403 OD2 ASP A 112 22.716 2.999 83.497 1.00 48.19 O ATOM 404 H ASP A 112 26.121 2.092 85.356 1.00 0.00 H ATOM 405 N TYR A 113 26.869 1.286 82.601 1.00 28.89 N ATOM 406 CA TYR A 113 27.374 1.487 81.242 1.00 27.91 C ATOM 407 C TYR A 113 27.477 0.190 80.449 1.00 24.75 C ATOM 408 O TYR A 113 26.943 0.083 79.349 1.00 22.82 O ATOM 409 CB TYR A 113 28.728 2.217 81.204 1.00 23.06 C ATOM 410 CG TYR A 113 29.120 2.536 79.772 1.00 21.45 C ATOM 411 CD1 TYR A 113 28.578 3.633 79.117 1.00 19.73 C ATOM 412 CD2 TYR A 113 29.989 1.713 79.061 1.00 19.14 C ATOM 413 CE1 TYR A 113 28.898 3.925 77.793 1.00 16.59 C ATOM 414 CE2 TYR A 113 30.319 1.998 77.731 1.00 20.31 C ATOM 415 CZ TYR A 113 29.777 3.115 77.108 1.00 22.77 C ATOM 416 OH TYR A 113 30.095 3.417 75.791 1.00 21.02 O ATOM 417 HH TYR A 113 29.619 4.241 75.519 1.00 0.00 H ATOM 418 H TYR A 113 27.382 1.686 83.412 1.00 0.00 H ATOM 419 N HIS A 114 28.161 -0.806 80.995 1.00 25.55 N ATOM 420 CA HIS A 114 28.399 -2.029 80.230 1.00 22.41 C ATOM 421 C HIS A 114 27.193 -2.951 80.156 1.00 27.85 C ATOM 422 O HIS A 114 27.178 -3.887 79.374 1.00 26.75 O ATOM 423 CB HIS A 114 29.638 -2.768 80.746 1.00 28.61 C ATOM 424 CG HIS A 114 30.908 -2.022 80.481 1.00 27.65 C ATOM 425 ND1 HIS A 114 31.471 -1.943 79.225 1.00 26.73 N ATOM 426 CD2 HIS A 114 31.692 -1.277 81.295 1.00 26.23 C ATOM 427 CE1 HIS A 114 32.565 -1.206 79.281 1.00 24.01 C ATOM 428 NE2 HIS A 114 32.717 -0.783 80.525 1.00 32.05 N ATOM 429 H HIS A 114 28.527 -0.718 81.964 1.00 0.00 H ATOM 430 N LYS A 115 26.170 -2.663 80.945 1.00 27.16 N ATOM 431 CA LYS A 115 24.919 -3.400 80.826 1.00 22.54 C ATOM 432 C LYS A 115 24.111 -2.856 79.659 1.00 35.24 C ATOM 433 O LYS A 115 23.354 -3.583 79.023 1.00 35.86 O ATOM 434 CB LYS A 115 24.129 -3.298 82.126 1.00 28.90 C ATOM 435 CG LYS A 115 24.984 -3.734 83.314 1.00 41.70 C ATOM 436 CD LYS A 115 24.175 -4.042 84.542 1.00 39.22 C ATOM 437 CE LYS A 115 25.083 -4.594 85.635 1.00 36.98 C ATOM 438 NZ LYS A 115 24.274 -5.137 86.751 1.00 51.85 N ATOM 439 HZ1 LYS A 115 23.684 -4.380 87.150 1.00 0.00 H ATOM 440 HZ2 LYS A 115 23.665 -5.902 86.396 1.00 0.00 H ATOM 441 HZ3 LYS A 115 24.907 -5.509 87.487 1.00 0.00 H ATOM 442 H LYS A 115 26.260 -1.907 81.653 1.00 0.00 H ATOM 443 N ILE A 116 24.286 -1.572 79.365 1.00 20.50 N ATOM 444 CA ILE A 116 23.543 -0.965 78.269 1.00 17.16 C ATOM 445 C ILE A 116 24.309 -1.046 76.944 1.00 24.85 C ATOM 446 O ILE A 116 23.738 -1.375 75.906 1.00 23.48 O ATOM 447 CB ILE A 116 23.181 0.501 78.619 1.00 24.02 C ATOM 448 CG1 ILE A 116 22.162 0.519 79.765 1.00 28.38 C ATOM 449 CG2 ILE A 116 22.659 1.249 77.380 1.00 25.18 C ATOM 450 CD1 ILE A 116 21.981 1.862 80.408 1.00 33.62 C ATOM 451 H ILE A 116 24.955 -0.999 79.919 1.00 0.00 H ATOM 452 N ILE A 117 25.605 -0.754 76.985 1.00 21.23 N ATOM 453 CA ILE A 117 26.405 -0.728 75.763 1.00 22.24 C ATOM 454 C ILE A 117 27.193 -2.018 75.655 1.00 23.29 C ATOM 455 O ILE A 117 28.120 -2.260 76.430 1.00 24.20 O ATOM 456 CB ILE A 117 27.378 0.463 75.734 1.00 20.22 C ATOM 457 CG1 ILE A 117 26.586 1.766 75.788 1.00 18.28 C ATOM 458 CG2 ILE A 117 28.229 0.409 74.463 1.00 17.97 C ATOM 459 CD1 ILE A 117 25.586 1.889 74.636 1.00 18.07 C ATOM 460 H ILE A 117 26.055 -0.541 77.898 1.00 0.00 H ATOM 461 N LYS A 118 26.826 -2.838 74.679 1.00 20.87 N ATOM 462 CA LYS A 118 27.387 -4.189 74.586 1.00 30.55 C ATOM 463 C LYS A 118 28.661 -4.252 73.751 1.00 25.18 C ATOM 464 O LYS A 118 29.439 -5.201 73.853 1.00 26.25 O ATOM 465 CB LYS A 118 26.338 -5.148 74.018 1.00 31.71 C ATOM 466 CG LYS A 118 25.222 -5.422 75.002 1.00 32.59 C ATOM 467 CD LYS A 118 25.831 -5.474 76.401 1.00 33.77 C ATOM 468 CE LYS A 118 24.955 -6.169 77.416 1.00 36.88 C ATOM 469 NZ LYS A 118 25.662 -6.184 78.727 1.00 41.97 N ATOM 470 HZ1 LYS A 118 26.562 -6.695 78.628 1.00 0.00 H ATOM 471 HZ2 LYS A 118 25.848 -5.207 79.030 1.00 0.00 H ATOM 472 HZ3 LYS A 118 25.067 -6.661 79.435 1.00 0.00 H ATOM 473 H LYS A 118 26.133 -2.519 73.972 1.00 0.00 H ATOM 474 N GLN A 119 28.860 -3.245 72.908 1.00 26.99 N ATOM 475 CA GLN A 119 30.049 -3.203 72.072 1.00 18.80 C ATOM 476 C GLN A 119 30.700 -1.826 72.127 1.00 17.92 C ATOM 477 O GLN A 119 30.492 -1.004 71.235 1.00 21.04 O ATOM 478 CB GLN A 119 29.708 -3.564 70.620 1.00 27.04 C ATOM 479 CG GLN A 119 30.949 -3.607 69.756 1.00 35.08 C ATOM 480 CD GLN A 119 30.668 -3.739 68.266 1.00 49.74 C ATOM 481 OE1 GLN A 119 29.533 -3.999 67.833 1.00 41.39 O ATOM 482 NE2 GLN A 119 31.712 -3.552 67.472 1.00 28.02 N ATOM 483 HE22 GLN A 119 32.644 -3.336 67.880 1.00 0.00 H ATOM 484 HE21 GLN A 119 31.600 -3.621 66.440 1.00 0.00 H ATOM 485 H GLN A 119 28.159 -2.479 72.845 1.00 0.00 H ATOM 486 N PRO A 120 31.491 -1.575 73.175 1.00 17.81 N ATOM 487 CA PRO A 120 32.156 -0.279 73.340 1.00 20.90 C ATOM 488 C PRO A 120 33.123 -0.055 72.184 1.00 22.86 C ATOM 489 O PRO A 120 33.681 -1.023 71.646 1.00 16.92 O ATOM 490 CB PRO A 120 32.938 -0.442 74.659 1.00 19.06 C ATOM 491 CG PRO A 120 32.308 -1.655 75.358 1.00 26.00 C ATOM 492 CD PRO A 120 31.845 -2.535 74.241 1.00 21.08 C ATOM 493 N MET A 121 33.326 1.201 71.810 1.00 17.24 N ATOM 494 CA MET A 121 34.252 1.532 70.733 1.00 15.25 C ATOM 495 C MET A 121 34.767 2.938 70.988 1.00 21.70 C ATOM 496 O MET A 121 34.089 3.755 71.609 1.00 17.92 O ATOM 497 CB MET A 121 33.547 1.455 69.370 1.00 16.77 C ATOM 498 CG MET A 121 34.481 1.568 68.131 1.00 16.95 C ATOM 499 SD MET A 121 36.027 0.609 68.182 1.00 22.97 S ATOM 500 CE MET A 121 35.362 -1.061 68.311 1.00 20.57 C ATOM 501 H MET A 121 32.814 1.966 72.295 1.00 0.00 H ATOM 502 N ASP A 122 35.973 3.216 70.523 1.00 21.61 N ATOM 503 CA ASP A 122 36.576 4.517 70.754 1.00 17.82 C ATOM 504 C ASP A 122 37.612 4.775 69.675 1.00 21.87 C ATOM 505 O ASP A 122 38.048 3.848 69.004 1.00 23.52 O ATOM 506 CB ASP A 122 37.247 4.534 72.132 1.00 21.10 C ATOM 507 CG ASP A 122 38.439 3.602 72.202 1.00 26.92 C ATOM 508 OD1 ASP A 122 38.228 2.389 72.410 1.00 22.66 O ATOM 509 OD2 ASP A 122 39.582 4.078 72.035 1.00 22.12 O ATOM 510 H ASP A 122 36.496 2.495 69.986 1.00 0.00 H ATOM 511 N MET A 123 38.018 6.028 69.504 1.00 19.84 N ATOM 512 CA MET A 123 38.933 6.360 68.408 1.00 21.67 C ATOM 513 C MET A 123 40.358 5.827 68.593 1.00 19.65 C ATOM 514 O MET A 123 41.077 5.655 67.616 1.00 20.46 O ATOM 515 CB MET A 123 38.951 7.871 68.143 1.00 18.06 C ATOM 516 CG MET A 123 37.596 8.420 67.694 1.00 19.21 C ATOM 517 SD MET A 123 37.715 10.016 66.846 1.00 21.39 S ATOM 518 CE MET A 123 38.778 10.923 67.969 1.00 20.52 C ATOM 519 H MET A 123 37.686 6.774 70.148 1.00 0.00 H ATOM 520 N GLY A 124 40.763 5.591 69.837 1.00 21.45 N ATOM 521 CA GLY A 124 42.074 5.022 70.109 1.00 26.27 C ATOM 522 C GLY A 124 42.151 3.617 69.551 1.00 31.33 C ATOM 523 O GLY A 124 43.130 3.235 68.916 1.00 27.19 O ATOM 524 H GLY A 124 40.131 5.817 70.631 1.00 0.00 H ATOM 525 N THR A 125 41.088 2.851 69.779 1.00 24.98 N ATOM 526 CA THR A 125 40.953 1.529 69.189 1.00 28.29 C ATOM 527 C THR A 125 40.901 1.555 67.652 1.00 28.15 C ATOM 528 O THR A 125 41.568 0.766 66.983 1.00 23.82 O ATOM 529 CB THR A 125 39.710 0.838 69.751 1.00 28.12 C ATOM 530 OG1 THR A 125 39.901 0.634 71.155 1.00 23.67 O ATOM 531 CG2 THR A 125 39.469 -0.501 69.062 1.00 30.67 C ATOM 532 HG1 THR A 125 40.033 1.509 71.599 1.00 0.00 H ATOM 533 H THR A 125 40.332 3.208 70.397 1.00 0.00 H ATOM 534 N ILE A 126 40.105 2.455 67.086 1.00 20.17 N ATOM 535 CA ILE A 126 40.041 2.573 65.633 1.00 26.07 C ATOM 536 C ILE A 126 41.419 2.967 65.061 1.00 26.53 C ATOM 537 O ILE A 126 41.860 2.421 64.044 1.00 25.01 O ATOM 538 CB ILE A 126 38.951 3.586 65.207 1.00 18.52 C ATOM 539 CG1 ILE A 126 37.588 3.134 65.751 1.00 20.57 C ATOM 540 CG2 ILE A 126 38.906 3.752 63.681 1.00 20.45 C ATOM 541 CD1 ILE A 126 36.477 4.158 65.549 1.00 20.58 C ATOM 542 H ILE A 126 39.524 3.079 67.682 1.00 0.00 H ATOM 543 N LYS A 127 42.101 3.896 65.726 1.00 24.86 N ATOM 544 CA LYS A 127 43.397 4.385 65.235 1.00 23.67 C ATOM 545 C LYS A 127 44.412 3.251 65.229 1.00 31.66 C ATOM 546 O LYS A 127 45.110 3.019 64.242 1.00 29.07 O ATOM 547 CB LYS A 127 43.904 5.535 66.103 1.00 27.66 C ATOM 548 CG LYS A 127 45.256 6.088 65.677 1.00 29.10 C ATOM 549 CD LYS A 127 45.576 7.372 66.424 1.00 36.62 C ATOM 550 CE LYS A 127 46.325 7.085 67.713 1.00 55.88 C ATOM 551 NZ LYS A 127 47.671 6.474 67.463 1.00 54.07 N ATOM 552 HZ1 LYS A 127 47.553 5.577 66.951 1.00 0.00 H ATOM 553 HZ2 LYS A 127 48.246 7.127 66.893 1.00 0.00 H ATOM 554 HZ3 LYS A 127 48.144 6.296 68.372 1.00 0.00 H ATOM 555 H LYS A 127 41.710 4.283 66.609 1.00 0.00 H ATOM 556 N ARG A 128 44.473 2.536 66.343 1.00 28.51 N ATOM 557 CA ARG A 128 45.352 1.385 66.464 1.00 31.42 C ATOM 558 C ARG A 128 45.049 0.342 65.390 1.00 34.56 C ATOM 559 O ARG A 128 45.968 -0.208 64.783 1.00 35.45 O ATOM 560 CB ARG A 128 45.245 0.782 67.870 1.00 33.19 C ATOM 561 CG ARG A 128 46.461 -0.013 68.307 1.00 49.88 C ATOM 562 CD ARG A 128 46.459 -0.249 69.821 1.00 67.68 C ATOM 563 NE ARG A 128 45.243 -0.921 70.277 1.00 66.57 N ATOM 564 CZ ARG A 128 44.266 -0.329 70.959 1.00 62.62 C ATOM 565 NH1 ARG A 128 44.357 0.959 71.279 1.00 55.17 N ATOM 566 NH2 ARG A 128 43.196 -1.026 71.324 1.00 55.50 N ATOM 567 HE ARG A 128 45.134 -1.931 70.053 1.00 0.00 H ATOM 568 HH12 ARG A 128 43.591 1.418 71.812 1.00 0.00 H ATOM 569 HH11 ARG A 128 45.194 1.507 70.996 1.00 0.00 H ATOM 570 HH22 ARG A 128 42.432 -0.564 71.857 1.00 0.00 H ATOM 571 HH21 ARG A 128 43.122 -2.033 71.077 1.00 0.00 H ATOM 572 H ARG A 128 43.877 2.805 67.151 1.00 0.00 H ATOM 573 N ARG A 129 43.767 0.080 65.138 1.00 26.68 N ATOM 574 CA ARG A 129 43.386 -0.860 64.085 1.00 27.68 C ATOM 575 C ARG A 129 43.815 -0.397 62.686 1.00 29.66 C ATOM 576 O ARG A 129 44.276 -1.200 61.873 1.00 31.38 O ATOM 577 CB ARG A 129 41.880 -1.147 64.121 1.00 31.42 C ATOM 578 CG ARG A 129 41.459 -1.987 65.335 1.00 29.36 C ATOM 579 CD ARG A 129 39.944 -2.040 65.505 1.00 27.45 C ATOM 580 NE ARG A 129 39.576 -2.939 66.603 1.00 28.33 N ATOM 581 CZ ARG A 129 38.360 -3.447 66.788 1.00 30.17 C ATOM 582 NH1 ARG A 129 37.368 -3.152 65.957 1.00 22.44 N ATOM 583 NH2 ARG A 129 38.137 -4.271 67.805 1.00 35.54 N ATOM 584 HE ARG A 129 40.317 -3.198 67.285 1.00 0.00 H ATOM 585 HH12 ARG A 129 36.422 -3.555 66.112 1.00 0.00 H ATOM 586 HH11 ARG A 129 37.537 -2.517 65.150 1.00 0.00 H ATOM 587 HH22 ARG A 129 37.188 -4.670 67.953 1.00 0.00 H ATOM 588 HH21 ARG A 129 38.911 -4.518 68.454 1.00 0.00 H ATOM 589 H ARG A 129 43.028 0.550 65.698 1.00 0.00 H ATOM 590 N LEU A 130 43.642 0.888 62.391 1.00 27.15 N ATOM 591 CA LEU A 130 44.137 1.420 61.128 1.00 30.08 C ATOM 592 C LEU A 130 45.667 1.258 61.048 1.00 35.35 C ATOM 593 O LEU A 130 46.193 0.765 60.054 1.00 36.66 O ATOM 594 CB LEU A 130 43.719 2.885 60.942 1.00 28.83 C ATOM 595 CG LEU A 130 42.234 3.160 60.666 1.00 29.06 C ATOM 596 CD1 LEU A 130 41.859 4.575 61.091 1.00 25.86 C ATOM 597 CD2 LEU A 130 41.884 2.921 59.198 1.00 29.06 C ATOM 598 H LEU A 130 43.153 1.514 63.062 1.00 0.00 H ATOM 599 N GLU A 131 46.374 1.654 62.104 1.00 30.83 N ATOM 600 CA GLU A 131 47.838 1.572 62.111 1.00 32.75 C ATOM 601 C GLU A 131 48.369 0.148 61.927 1.00 43.74 C ATOM 602 O GLU A 131 49.418 -0.057 61.313 1.00 42.40 O ATOM 603 CB GLU A 131 48.406 2.163 63.397 1.00 36.53 C ATOM 604 CG GLU A 131 48.160 3.651 63.559 1.00 36.77 C ATOM 605 CD GLU A 131 48.533 4.154 64.945 1.00 35.83 C ATOM 606 OE1 GLU A 131 48.726 3.320 65.859 1.00 41.40 O ATOM 607 OE2 GLU A 131 48.632 5.385 65.122 1.00 35.58 O ATOM 608 H GLU A 131 45.879 2.028 62.939 1.00 0.00 H ATOM 609 N ASN A 132 47.646 -0.832 62.458 1.00 35.34 N ATOM 610 CA ASN A 132 48.090 -2.226 62.418 1.00 37.25 C ATOM 611 C ASN A 132 47.488 -3.033 61.274 1.00 37.89 C ATOM 612 O ASN A 132 47.617 -4.261 61.237 1.00 42.40 O ATOM 613 CB ASN A 132 47.772 -2.929 63.738 1.00 40.38 C ATOM 614 CG ASN A 132 48.504 -2.323 64.922 1.00 50.62 C ATOM 615 OD1 ASN A 132 49.587 -1.756 64.781 1.00 53.10 O ATOM 616 ND2 ASN A 132 47.913 -2.455 66.106 1.00 51.45 N ATOM 617 HD22 ASN A 132 46.997 -2.942 66.179 1.00 0.00 H ATOM 618 HD21 ASN A 132 48.367 -2.071 66.959 1.00 0.00 H ATOM 619 H ASN A 132 46.740 -0.602 62.914 1.00 0.00 H ATOM 620 N ASN A 133 46.812 -2.346 60.359 1.00 30.93 N ATOM 621 CA ASN A 133 46.188 -2.984 59.201 1.00 36.62 C ATOM 622 C ASN A 133 45.209 -4.088 59.585 1.00 44.99 C ATOM 623 O ASN A 133 45.197 -5.165 58.985 1.00 39.93 O ATOM 624 CB ASN A 133 47.259 -3.515 58.238 1.00 43.05 C ATOM 625 CG ASN A 133 48.105 -2.403 57.640 1.00 38.83 C ATOM 626 OD1 ASN A 133 47.582 -1.369 57.226 1.00 38.68 O ATOM 627 ND2 ASN A 133 49.418 -2.609 57.600 1.00 45.48 N ATOM 628 HD22 ASN A 133 49.816 -3.499 57.962 1.00 0.00 H ATOM 629 HD21 ASN A 133 50.047 -1.880 57.207 1.00 0.00 H ATOM 630 H ASN A 133 46.724 -1.316 60.471 1.00 0.00 H ATOM 631 N TYR A 134 44.382 -3.803 60.585 1.00 35.94 N ATOM 632 CA TYR A 134 43.425 -4.774 61.110 1.00 32.54 C ATOM 633 C TYR A 134 42.223 -4.935 60.187 1.00 32.54 C ATOM 634 O TYR A 134 41.669 -6.031 60.044 1.00 32.76 O ATOM 635 CB TYR A 134 42.992 -4.340 62.518 1.00 36.65 C ATOM 636 CG TYR A 134 41.777 -5.050 63.081 1.00 39.52 C ATOM 637 CD1 TYR A 134 40.508 -4.533 62.891 1.00 27.43 C ATOM 638 CD2 TYR A 134 41.903 -6.224 63.823 1.00 50.53 C ATOM 639 CE1 TYR A 134 39.389 -5.160 63.409 1.00 36.47 C ATOM 640 CE2 TYR A 134 40.783 -6.864 64.348 1.00 49.27 C ATOM 641 CZ TYR A 134 39.526 -6.321 64.134 1.00 40.66 C ATOM 642 OH TYR A 134 38.395 -6.928 64.640 1.00 51.24 O ATOM 643 HH TYR A 134 37.597 -6.400 64.387 1.00 0.00 H ATOM 644 H TYR A 134 44.417 -2.854 61.009 1.00 0.00 H ATOM 645 N TYR A 135 41.831 -3.846 59.539 1.00 27.94 N ATOM 646 CA TYR A 135 40.644 -3.854 58.709 1.00 26.26 C ATOM 647 C TYR A 135 40.886 -4.440 57.326 1.00 39.30 C ATOM 648 O TYR A 135 41.940 -4.222 56.729 1.00 34.95 O ATOM 649 CB TYR A 135 40.124 -2.437 58.535 1.00 23.42 C ATOM 650 CG TYR A 135 39.653 -1.775 59.803 1.00 27.25 C ATOM 651 CD1 TYR A 135 38.534 -2.246 60.484 1.00 31.50 C ATOM 652 CD2 TYR A 135 40.297 -0.648 60.297 1.00 27.43 C ATOM 653 CE1 TYR A 135 38.083 -1.620 61.649 1.00 30.27 C ATOM 654 CE2 TYR A 135 39.852 -0.009 61.455 1.00 26.93 C ATOM 655 CZ TYR A 135 38.747 -0.501 62.122 1.00 24.89 C ATOM 656 OH TYR A 135 38.312 0.131 63.265 1.00 23.33 O ATOM 657 HH TYR A 135 37.517 -0.341 63.619 1.00 0.00 H ATOM 658 H TYR A 135 42.386 -2.971 59.628 1.00 0.00 H ATOM 659 N TRP A 136 39.882 -5.151 56.815 1.00 32.43 N ATOM 660 CA TRP A 136 39.923 -5.711 55.470 1.00 39.66 C ATOM 661 C TRP A 136 39.279 -4.762 54.460 1.00 39.73 C ATOM 662 O TRP A 136 39.651 -4.746 53.283 1.00 37.12 O ATOM 663 CB TRP A 136 39.227 -7.078 55.439 1.00 40.46 C ATOM 664 CG TRP A 136 39.455 -7.849 54.156 1.00 47.22 C ATOM 665 CD1 TRP A 136 40.517 -8.665 53.863 1.00 56.77 C ATOM 666 CD2 TRP A 136 38.603 -7.873 53.003 1.00 45.73 C ATOM 667 NE1 TRP A 136 40.375 -9.193 52.600 1.00 45.53 N ATOM 668 CE2 TRP A 136 39.209 -8.723 52.052 1.00 43.75 C ATOM 669 CE3 TRP A 136 37.384 -7.265 52.685 1.00 47.24 C ATOM 670 CZ2 TRP A 136 38.637 -8.977 50.803 1.00 56.37 C ATOM 671 CZ3 TRP A 136 36.819 -7.516 51.442 1.00 61.27 C ATOM 672 CH2 TRP A 136 37.447 -8.365 50.516 1.00 56.56 C ATOM 673 HE1 TRP A 136 41.043 -9.842 52.137 1.00 0.00 H ATOM 674 H TRP A 136 39.036 -5.313 57.398 1.00 0.00 H ATOM 675 N ALA A 137 38.318 -3.964 54.923 1.00 29.16 N ATOM 676 CA ALA A 137 37.599 -3.041 54.053 1.00 31.52 C ATOM 677 C ALA A 137 37.281 -1.737 54.787 1.00 26.47 C ATOM 678 O ALA A 137 37.111 -1.737 55.999 1.00 29.38 O ATOM 679 CB ALA A 137 36.314 -3.682 53.561 1.00 35.28 C ATOM 680 H ALA A 137 38.074 -4.000 55.933 1.00 0.00 H ATOM 681 N ALA A 138 37.173 -0.640 54.047 1.00 29.54 N ATOM 682 CA ALA A 138 36.836 0.653 54.642 1.00 29.80 C ATOM 683 C ALA A 138 35.510 0.605 55.401 1.00 35.84 C ATOM 684 O ALA A 138 35.354 1.251 56.435 1.00 24.01 O ATOM 685 CB ALA A 138 36.785 1.728 53.578 1.00 33.47 C ATOM 686 H ALA A 138 37.332 -0.701 53.021 1.00 0.00 H ATOM 687 N SER A 139 34.544 -0.150 54.891 1.00 29.22 N ATOM 688 CA SER A 139 33.235 -0.169 55.531 1.00 26.49 C ATOM 689 C SER A 139 33.341 -0.678 56.982 1.00 27.26 C ATOM 690 O SER A 139 32.572 -0.259 57.844 1.00 28.03 O ATOM 691 CB SER A 139 32.229 -0.975 54.708 1.00 30.70 C ATOM 692 OG SER A 139 32.674 -2.317 54.566 1.00 30.69 O ATOM 693 HG SER A 139 32.015 -2.827 54.032 1.00 0.00 H ATOM 694 H SER A 139 34.720 -0.723 54.041 1.00 0.00 H ATOM 695 N GLU A 140 34.319 -1.535 57.265 1.00 27.37 N ATOM 696 CA GLU A 140 34.473 -2.087 58.613 1.00 26.22 C ATOM 697 C GLU A 140 34.915 -0.992 59.586 1.00 27.36 C ATOM 698 O GLU A 140 34.404 -0.877 60.701 1.00 23.62 O ATOM 699 CB GLU A 140 35.485 -3.241 58.631 1.00 31.04 C ATOM 700 CG GLU A 140 35.069 -4.429 57.766 1.00 32.94 C ATOM 701 CD GLU A 140 36.190 -5.432 57.538 1.00 39.48 C ATOM 702 OE1 GLU A 140 37.317 -5.208 58.034 1.00 27.95 O ATOM 703 OE2 GLU A 140 35.933 -6.456 56.861 1.00 43.18 O ATOM 704 H GLU A 140 34.984 -1.817 56.517 1.00 0.00 H ATOM 705 N CYS A 141 35.872 -0.191 59.145 1.00 20.77 N ATOM 706 CA CYS A 141 36.331 0.959 59.913 1.00 23.85 C ATOM 707 C CYS A 141 35.199 1.957 60.117 1.00 21.81 C ATOM 708 O CYS A 141 35.009 2.497 61.212 1.00 21.88 O ATOM 709 CB CYS A 141 37.483 1.634 59.181 1.00 21.85 C ATOM 710 SG CYS A 141 38.035 3.183 59.957 1.00 24.91 S ATOM 711 H CYS A 141 36.310 -0.388 58.222 1.00 0.00 H ATOM 712 N MET A 142 34.445 2.202 59.055 1.00 21.60 N ATOM 713 CA MET A 142 33.308 3.111 59.127 1.00 25.03 C ATOM 714 C MET A 142 32.268 2.637 60.136 1.00 24.41 C ATOM 715 O MET A 142 31.661 3.442 60.839 1.00 18.59 O ATOM 716 CB MET A 142 32.675 3.266 57.743 1.00 22.51 C ATOM 717 CG MET A 142 33.521 4.083 56.786 1.00 17.18 C ATOM 718 SD MET A 142 32.991 3.886 55.060 1.00 26.91 S ATOM 719 CE MET A 142 31.318 4.550 55.123 1.00 17.68 C ATOM 720 H MET A 142 34.669 1.736 58.152 1.00 0.00 H ATOM 721 N GLN A 143 32.056 1.329 60.206 1.00 20.40 N ATOM 722 CA GLN A 143 31.094 0.798 61.163 1.00 27.79 C ATOM 723 C GLN A 143 31.569 1.015 62.603 1.00 22.91 C ATOM 724 O GLN A 143 30.744 1.247 63.485 1.00 22.29 O ATOM 725 CB GLN A 143 30.791 -0.685 60.901 1.00 21.44 C ATOM 726 CG GLN A 143 30.182 -0.961 59.538 1.00 21.26 C ATOM 727 CD GLN A 143 28.761 -0.428 59.384 1.00 30.88 C ATOM 728 OE1 GLN A 143 28.186 0.135 60.320 1.00 29.16 O ATOM 729 NE2 GLN A 143 28.182 -0.616 58.194 1.00 26.61 N ATOM 730 HE22 GLN A 143 28.703 -1.096 57.432 1.00 0.00 H ATOM 731 HE21 GLN A 143 27.211 -0.283 58.030 1.00 0.00 H ATOM 732 H GLN A 143 32.576 0.683 59.578 1.00 0.00 H ATOM 733 N ASP A 144 32.881 0.944 62.844 1.00 19.87 N ATOM 734 CA ASP A 144 33.409 1.192 64.191 1.00 21.15 C ATOM 735 C ASP A 144 33.202 2.652 64.586 1.00 17.48 C ATOM 736 O ASP A 144 32.813 2.937 65.720 1.00 20.10 O ATOM 737 CB ASP A 144 34.897 0.843 64.325 1.00 18.21 C ATOM 738 CG ASP A 144 35.154 -0.648 64.423 1.00 27.11 C ATOM 739 OD1 ASP A 144 34.206 -1.429 64.642 1.00 23.59 O ATOM 740 OD2 ASP A 144 36.327 -1.035 64.276 1.00 24.56 O ATOM 741 H ASP A 144 33.535 0.711 62.070 1.00 0.00 H ATOM 742 N PHE A 145 33.466 3.576 63.668 1.00 20.54 N ATOM 743 CA PHE A 145 33.175 4.980 63.949 1.00 19.06 C ATOM 744 C PHE A 145 31.691 5.116 64.308 1.00 18.94 C ATOM 745 O PHE A 145 31.327 5.764 65.286 1.00 17.97 O ATOM 746 CB PHE A 145 33.470 5.867 62.737 1.00 17.85 C ATOM 747 CG PHE A 145 34.869 6.406 62.699 1.00 18.57 C ATOM 748 CD1 PHE A 145 35.275 7.375 63.603 1.00 24.50 C ATOM 749 CD2 PHE A 145 35.778 5.950 61.748 1.00 22.24 C ATOM 750 CE1 PHE A 145 36.573 7.889 63.564 1.00 25.31 C ATOM 751 CE2 PHE A 145 37.081 6.460 61.702 1.00 20.98 C ATOM 752 CZ PHE A 145 37.472 7.435 62.612 1.00 24.52 C ATOM 753 H PHE A 145 33.878 3.301 62.754 1.00 0.00 H ATOM 754 N ASN A 146 30.835 4.519 63.492 1.00 18.55 N ATOM 755 CA ASN A 146 29.401 4.604 63.719 1.00 20.64 C ATOM 756 C ASN A 146 28.989 4.051 65.089 1.00 18.23 C ATOM 757 O ASN A 146 28.210 4.657 65.824 1.00 20.62 O ATOM 758 CB ASN A 146 28.654 3.841 62.619 1.00 20.42 C ATOM 759 CG ASN A 146 27.170 4.031 62.714 1.00 20.09 C ATOM 760 OD1 ASN A 146 26.660 5.132 62.466 1.00 22.27 O ATOM 761 ND2 ASN A 146 26.456 2.971 63.090 1.00 21.54 N ATOM 762 HD22 ASN A 146 26.931 2.067 63.287 1.00 0.00 H ATOM 763 HD21 ASN A 146 25.423 3.047 63.186 1.00 0.00 H ATOM 764 H ASN A 146 31.194 3.982 62.677 1.00 0.00 H ATOM 765 N THR A 147 29.496 2.875 65.417 1.00 15.71 N ATOM 766 CA THR A 147 29.228 2.281 66.725 1.00 18.89 C ATOM 767 C THR A 147 29.617 3.206 67.882 1.00 21.23 C ATOM 768 O THR A 147 28.858 3.374 68.844 1.00 15.75 O ATOM 769 CB THR A 147 29.973 0.937 66.848 1.00 19.91 C ATOM 770 OG1 THR A 147 29.430 0.042 65.877 1.00 22.31 O ATOM 771 CG2 THR A 147 29.816 0.354 68.232 1.00 19.49 C ATOM 772 HG1 THR A 147 28.464 -0.085 66.051 1.00 0.00 H ATOM 773 H THR A 147 30.094 2.366 64.735 1.00 0.00 H ATOM 774 N MET A 148 30.796 3.814 67.789 1.00 18.54 N ATOM 775 CA MET A 148 31.231 4.722 68.845 1.00 16.30 C ATOM 776 C MET A 148 30.211 5.866 69.023 1.00 17.20 C ATOM 777 O MET A 148 29.809 6.174 70.135 1.00 18.94 O ATOM 778 CB MET A 148 32.613 5.318 68.531 1.00 17.39 C ATOM 779 CG MET A 148 33.101 6.323 69.602 1.00 17.14 C ATOM 780 SD MET A 148 34.619 7.099 68.999 1.00 19.97 S ATOM 781 CE MET A 148 33.973 8.213 67.758 1.00 25.28 C ATOM 782 H MET A 148 31.407 3.643 66.965 1.00 0.00 H ATOM 783 N PHE A 149 29.822 6.516 67.927 1.00 20.18 N ATOM 784 CA PHE A 149 28.859 7.616 68.032 1.00 17.45 C ATOM 785 C PHE A 149 27.503 7.112 68.521 1.00 16.15 C ATOM 786 O PHE A 149 26.874 7.713 69.385 1.00 17.22 O ATOM 787 CB PHE A 149 28.699 8.324 66.677 1.00 16.64 C ATOM 788 CG PHE A 149 29.943 9.075 66.242 1.00 20.99 C ATOM 789 CD1 PHE A 149 30.555 9.971 67.106 1.00 21.29 C ATOM 790 CD2 PHE A 149 30.518 8.850 64.991 1.00 22.33 C ATOM 791 CE1 PHE A 149 31.716 10.662 66.728 1.00 22.23 C ATOM 792 CE2 PHE A 149 31.679 9.540 64.601 1.00 15.93 C ATOM 793 CZ PHE A 149 32.278 10.443 65.481 1.00 19.50 C ATOM 794 H PHE A 149 30.201 6.243 66.998 1.00 0.00 H ATOM 795 N THR A 150 27.043 6.014 67.942 1.00 15.44 N ATOM 796 CA THR A 150 25.741 5.484 68.313 1.00 17.85 C ATOM 797 C THR A 150 25.690 5.078 69.798 1.00 18.46 C ATOM 798 O THR A 150 24.722 5.385 70.488 1.00 19.66 O ATOM 799 CB THR A 150 25.326 4.336 67.370 1.00 20.08 C ATOM 800 OG1 THR A 150 25.075 4.884 66.070 1.00 17.61 O ATOM 801 CG2 THR A 150 24.060 3.643 67.871 1.00 17.35 C ATOM 802 HG1 THR A 150 25.898 5.319 65.732 1.00 0.00 H ATOM 803 H THR A 150 27.614 5.530 67.220 1.00 0.00 H ATOM 804 N ASN A 151 26.726 4.404 70.298 1.00 14.58 N ATOM 805 CA ASN A 151 26.772 4.082 71.730 1.00 20.84 C ATOM 806 C ASN A 151 26.564 5.334 72.573 1.00 20.26 C ATOM 807 O ASN A 151 25.867 5.329 73.588 1.00 17.64 O ATOM 808 CB ASN A 151 28.118 3.492 72.135 1.00 14.70 C ATOM 809 CG ASN A 151 28.357 2.085 71.571 1.00 19.06 C ATOM 810 OD1 ASN A 151 27.437 1.420 71.084 1.00 20.18 O ATOM 811 ND2 ASN A 151 29.604 1.626 71.660 1.00 19.36 N ATOM 812 HD22 ASN A 151 30.348 2.220 72.078 1.00 0.00 H ATOM 813 HD21 ASN A 151 29.834 0.673 71.312 1.00 0.00 H ATOM 814 H ASN A 151 27.502 4.106 69.673 1.00 0.00 H ATOM 815 N CYS A 152 27.211 6.410 72.152 1.00 15.66 N ATOM 816 CA CYS A 152 27.179 7.653 72.908 1.00 15.74 C ATOM 817 C CYS A 152 25.748 8.209 72.962 1.00 18.96 C ATOM 818 O CYS A 152 25.266 8.575 74.043 1.00 18.33 O ATOM 819 CB CYS A 152 28.163 8.662 72.284 1.00 15.01 C ATOM 820 SG CYS A 152 28.251 10.270 73.140 1.00 19.02 S ATOM 821 H CYS A 152 27.752 6.366 71.265 1.00 0.00 H ATOM 822 N TYR A 153 25.067 8.252 71.811 1.00 15.32 N ATOM 823 CA TYR A 153 23.685 8.756 71.754 1.00 14.91 C ATOM 824 C TYR A 153 22.715 7.884 72.536 1.00 17.07 C ATOM 825 O TYR A 153 21.771 8.386 73.137 1.00 18.89 O ATOM 826 CB TYR A 153 23.182 8.843 70.315 1.00 15.78 C ATOM 827 CG TYR A 153 24.071 9.638 69.393 1.00 17.63 C ATOM 828 CD1 TYR A 153 24.613 10.843 69.804 1.00 16.66 C ATOM 829 CD2 TYR A 153 24.366 9.177 68.103 1.00 16.73 C ATOM 830 CE1 TYR A 153 25.430 11.581 68.970 1.00 17.98 C ATOM 831 CE2 TYR A 153 25.203 9.909 67.253 1.00 16.92 C ATOM 832 CZ TYR A 153 25.721 11.118 67.699 1.00 17.76 C ATOM 833 OH TYR A 153 26.546 11.873 66.890 1.00 19.68 O ATOM 834 HH TYR A 153 26.061 12.118 66.063 1.00 0.00 H ATOM 835 H TYR A 153 25.524 7.922 70.937 1.00 0.00 H ATOM 836 N ILE A 154 22.945 6.575 72.505 1.00 17.68 N ATOM 837 CA ILE A 154 22.067 5.619 73.184 1.00 14.05 C ATOM 838 C ILE A 154 22.221 5.705 74.696 1.00 18.96 C ATOM 839 O ILE A 154 21.225 5.776 75.429 1.00 19.91 O ATOM 840 CB ILE A 154 22.329 4.171 72.687 1.00 19.04 C ATOM 841 CG1 ILE A 154 21.778 3.987 71.271 1.00 18.14 C ATOM 842 CG2 ILE A 154 21.703 3.151 73.632 1.00 20.77 C ATOM 843 CD1 ILE A 154 22.049 2.540 70.691 1.00 16.64 C ATOM 844 H ILE A 154 23.772 6.220 71.984 1.00 0.00 H ATOM 845 N TYR A 155 23.465 5.723 75.173 1.00 16.95 N ATOM 846 CA TYR A 155 23.699 5.708 76.606 1.00 19.53 C ATOM 847 C TYR A 155 23.352 7.009 77.341 1.00 21.80 C ATOM 848 O TYR A 155 22.754 6.978 78.424 1.00 18.08 O ATOM 849 CB TYR A 155 25.143 5.310 76.947 1.00 18.18 C ATOM 850 CG TYR A 155 25.324 5.280 78.443 1.00 20.43 C ATOM 851 CD1 TYR A 155 24.826 4.222 79.198 1.00 23.12 C ATOM 852 CD2 TYR A 155 25.940 6.335 79.109 1.00 19.10 C ATOM 853 CE1 TYR A 155 24.953 4.202 80.568 1.00 21.80 C ATOM 854 CE2 TYR A 155 26.067 6.327 80.486 1.00 25.65 C ATOM 855 CZ TYR A 155 25.573 5.261 81.205 1.00 29.34 C ATOM 856 OH TYR A 155 25.702 5.251 82.573 1.00 28.90 O ATOM 857 HH TYR A 155 25.299 4.423 82.935 1.00 0.00 H ATOM 858 H TYR A 155 24.271 5.748 74.517 1.00 0.00 H ATOM 859 N ASN A 156 23.738 8.147 76.768 1.00 18.40 N ATOM 860 CA ASN A 156 23.704 9.411 77.503 1.00 24.11 C ATOM 861 C ASN A 156 22.345 10.097 77.420 1.00 22.15 C ATOM 862 O ASN A 156 21.521 9.749 76.590 1.00 18.31 O ATOM 863 CB ASN A 156 24.820 10.343 77.012 1.00 18.23 C ATOM 864 CG ASN A 156 26.215 9.795 77.328 1.00 20.73 C ATOM 865 OD1 ASN A 156 26.679 9.866 78.464 1.00 20.75 O ATOM 866 ND2 ASN A 156 26.875 9.221 76.323 1.00 19.16 N ATOM 867 HD22 ASN A 156 26.448 9.181 75.376 1.00 0.00 H ATOM 868 HD21 ASN A 156 27.818 8.813 76.486 1.00 0.00 H ATOM 869 H ASN A 156 24.069 8.137 75.782 1.00 0.00 H ATOM 870 N LYS A 157 22.109 11.061 78.298 1.00 23.14 N ATOM 871 CA LYS A 157 20.861 11.820 78.255 1.00 30.88 C ATOM 872 C LYS A 157 20.875 12.781 77.071 1.00 24.86 C ATOM 873 O LYS A 157 21.934 13.245 76.650 1.00 26.76 O ATOM 874 CB LYS A 157 20.659 12.602 79.555 1.00 29.33 C ATOM 875 CG LYS A 157 20.623 11.734 80.795 1.00 40.67 C ATOM 876 CD LYS A 157 20.831 12.561 82.047 1.00 53.16 C ATOM 877 CE LYS A 157 21.049 11.669 83.260 1.00 63.65 C ATOM 878 NZ LYS A 157 21.413 12.471 84.460 1.00 67.53 N ATOM 879 HZ1 LYS A 157 22.291 12.996 84.271 1.00 0.00 H ATOM 880 HZ2 LYS A 157 20.646 13.141 84.674 1.00 0.00 H ATOM 881 HZ3 LYS A 157 21.555 11.835 85.270 1.00 0.00 H ATOM 882 H LYS A 157 22.819 11.280 79.025 1.00 0.00 H ATOM 883 N PRO A 158 19.690 13.096 76.537 1.00 21.76 N ATOM 884 CA PRO A 158 19.569 14.045 75.428 1.00 26.87 C ATOM 885 C PRO A 158 20.301 15.372 75.712 1.00 24.17 C ATOM 886 O PRO A 158 20.838 15.971 74.790 1.00 28.17 O ATOM 887 CB PRO A 158 18.057 14.271 75.322 1.00 29.32 C ATOM 888 CG PRO A 158 17.447 13.016 75.902 1.00 30.20 C ATOM 889 CD PRO A 158 18.384 12.583 76.997 1.00 27.35 C ATOM 890 N THR A 159 20.347 15.797 76.970 1.00 28.44 N ATOM 891 CA THR A 159 20.922 17.102 77.299 1.00 40.51 C ATOM 892 C THR A 159 22.413 17.078 77.671 1.00 43.31 C ATOM 893 O THR A 159 23.010 18.128 77.907 1.00 38.53 O ATOM 894 CB THR A 159 20.126 17.798 78.429 1.00 33.65 C ATOM 895 OG1 THR A 159 20.075 16.940 79.572 1.00 42.68 O ATOM 896 CG2 THR A 159 18.711 18.109 77.966 1.00 48.98 C ATOM 897 HG1 THR A 159 19.566 17.385 80.295 1.00 0.00 H ATOM 898 H THR A 159 19.970 15.195 77.730 1.00 0.00 H ATOM 899 N ASP A 160 23.019 15.894 77.721 1.00 28.21 N ATOM 900 CA ASP A 160 24.437 15.800 78.081 1.00 26.94 C ATOM 901 C ASP A 160 25.323 16.435 77.021 1.00 19.71 C ATOM 902 O ASP A 160 25.168 16.154 75.831 1.00 25.77 O ATOM 903 CB ASP A 160 24.842 14.343 78.283 1.00 23.83 C ATOM 904 CG ASP A 160 24.291 13.760 79.561 1.00 36.00 C ATOM 905 OD1 ASP A 160 24.038 14.540 80.508 1.00 38.99 O ATOM 906 OD2 ASP A 160 24.132 12.516 79.622 1.00 33.91 O ATOM 907 H ASP A 160 22.483 15.030 77.503 1.00 0.00 H ATOM 908 N ASP A 161 26.259 17.287 77.440 1.00 22.90 N ATOM 909 CA ASP A 161 27.166 17.933 76.485 1.00 17.19 C ATOM 910 C ASP A 161 27.905 16.936 75.595 1.00 16.45 C ATOM 911 O ASP A 161 28.229 17.254 74.460 1.00 21.09 O ATOM 912 CB ASP A 161 28.198 18.801 77.197 1.00 23.23 C ATOM 913 CG ASP A 161 27.576 20.013 77.856 1.00 26.07 C ATOM 914 OD1 ASP A 161 26.406 20.323 77.538 1.00 27.80 O ATOM 915 OD2 ASP A 161 28.258 20.641 78.683 1.00 35.29 O ATOM 916 H ASP A 161 26.347 17.496 78.455 1.00 0.00 H ATOM 917 N ILE A 162 28.217 15.758 76.133 1.00 19.83 N ATOM 918 CA ILE A 162 28.935 14.753 75.351 1.00 18.63 C ATOM 919 C ILE A 162 28.227 14.463 74.027 1.00 23.68 C ATOM 920 O ILE A 162 28.869 14.215 73.005 1.00 20.65 O ATOM 921 CB ILE A 162 29.172 13.436 76.153 1.00 18.73 C ATOM 922 CG1 ILE A 162 30.186 12.550 75.425 1.00 16.96 C ATOM 923 CG2 ILE A 162 27.861 12.698 76.447 1.00 16.37 C ATOM 924 CD1 ILE A 162 31.624 13.154 75.429 1.00 17.27 C ATOM 925 H ILE A 162 27.948 15.552 77.116 1.00 0.00 H ATOM 926 N VAL A 163 26.900 14.504 74.046 1.00 17.11 N ATOM 927 CA VAL A 163 26.117 14.239 72.837 1.00 19.06 C ATOM 928 C VAL A 163 26.366 15.292 71.762 1.00 18.30 C ATOM 929 O VAL A 163 26.472 14.974 70.573 1.00 20.62 O ATOM 930 CB VAL A 163 24.606 14.094 73.165 1.00 21.04 C ATOM 931 CG1 VAL A 163 23.749 14.249 71.897 1.00 21.07 C ATOM 932 CG2 VAL A 163 24.361 12.750 73.840 1.00 17.62 C ATOM 933 H VAL A 163 26.408 14.728 74.935 1.00 0.00 H ATOM 934 N LEU A 164 26.472 16.549 72.180 1.00 20.07 N ATOM 935 CA LEU A 164 26.815 17.626 71.253 1.00 20.99 C ATOM 936 C LEU A 164 28.213 17.447 70.664 1.00 18.47 C ATOM 937 O LEU A 164 28.441 17.689 69.478 1.00 21.00 O ATOM 938 CB LEU A 164 26.744 18.981 71.957 1.00 23.43 C ATOM 939 CG LEU A 164 26.981 20.171 71.033 1.00 21.47 C ATOM 940 CD1 LEU A 164 25.860 20.262 69.999 1.00 30.65 C ATOM 941 CD2 LEU A 164 27.067 21.457 71.841 1.00 32.76 C ATOM 942 H LEU A 164 26.308 16.770 73.183 1.00 0.00 H ATOM 943 N MET A 165 29.159 17.048 71.505 1.00 19.84 N ATOM 944 CA MET A 165 30.521 16.833 71.047 1.00 19.50 C ATOM 945 C MET A 165 30.578 15.681 70.040 1.00 19.60 C ATOM 946 O MET A 165 31.275 15.769 69.021 1.00 19.67 O ATOM 947 CB MET A 165 31.463 16.597 72.236 1.00 20.49 C ATOM 948 CG MET A 165 31.498 17.782 73.227 1.00 18.05 C ATOM 949 SD MET A 165 32.329 17.359 74.752 1.00 22.64 S ATOM 950 CE MET A 165 34.043 17.516 74.256 1.00 18.37 C ATOM 951 H MET A 165 28.922 16.887 72.505 1.00 0.00 H ATOM 952 N ALA A 166 29.832 14.609 70.311 1.00 16.69 N ATOM 953 CA ALA A 166 29.784 13.487 69.378 1.00 16.77 C ATOM 954 C ALA A 166 29.207 13.930 68.053 1.00 18.08 C ATOM 955 O ALA A 166 29.735 13.597 66.994 1.00 21.50 O ATOM 956 CB ALA A 166 28.961 12.326 69.945 1.00 15.80 C ATOM 957 H ALA A 166 29.281 14.572 71.192 1.00 0.00 H ATOM 958 N GLN A 167 28.116 14.690 68.113 1.00 18.40 N ATOM 959 CA GLN A 167 27.452 15.175 66.903 1.00 17.47 C ATOM 960 C GLN A 167 28.403 15.991 66.033 1.00 21.85 C ATOM 961 O GLN A 167 28.432 15.833 64.805 1.00 18.85 O ATOM 962 CB GLN A 167 26.221 16.024 67.259 1.00 21.76 C ATOM 963 CG GLN A 167 25.043 15.239 67.854 1.00 19.41 C ATOM 964 CD GLN A 167 23.862 16.130 68.236 1.00 26.42 C ATOM 965 OE1 GLN A 167 23.974 17.000 69.104 1.00 25.67 O ATOM 966 NE2 GLN A 167 22.723 15.911 67.587 1.00 28.57 N ATOM 967 HE22 GLN A 167 22.672 15.167 66.862 1.00 0.00 H ATOM 968 HE21 GLN A 167 21.882 16.484 67.804 1.00 0.00 H ATOM 969 H GLN A 167 27.726 14.945 69.043 1.00 0.00 H ATOM 970 N THR A 168 29.168 16.873 66.673 1.00 21.67 N ATOM 971 CA THR A 168 30.114 17.740 65.968 1.00 18.49 C ATOM 972 C THR A 168 31.174 16.925 65.248 1.00 21.00 C ATOM 973 O THR A 168 31.521 17.203 64.094 1.00 20.78 O ATOM 974 CB THR A 168 30.822 18.685 66.951 1.00 21.84 C ATOM 975 OG1 THR A 168 29.843 19.508 67.578 1.00 24.52 O ATOM 976 CG2 THR A 168 31.847 19.572 66.227 1.00 25.35 C ATOM 977 HG1 THR A 168 29.197 18.938 68.065 1.00 0.00 H ATOM 978 H THR A 168 29.091 16.949 67.707 1.00 0.00 H ATOM 979 N LEU A 169 31.702 15.920 65.935 1.00 16.15 N ATOM 980 CA LEU A 169 32.702 15.044 65.327 1.00 21.17 C ATOM 981 C LEU A 169 32.079 14.214 64.209 1.00 19.48 C ATOM 982 O LEU A 169 32.697 14.007 63.165 1.00 19.69 O ATOM 983 CB LEU A 169 33.317 14.107 66.367 1.00 16.73 C ATOM 984 CG LEU A 169 34.061 14.747 67.553 1.00 19.59 C ATOM 985 CD1 LEU A 169 34.415 13.674 68.578 1.00 22.09 C ATOM 986 CD2 LEU A 169 35.308 15.472 67.089 1.00 22.97 C ATOM 987 H LEU A 169 31.401 15.754 66.917 1.00 0.00 H ATOM 988 N GLU A 170 30.864 13.716 64.426 1.00 19.35 N ATOM 989 CA GLU A 170 30.276 12.817 63.428 1.00 18.09 C ATOM 990 C GLU A 170 29.918 13.579 62.152 1.00 21.27 C ATOM 991 O GLU A 170 30.025 13.050 61.051 1.00 19.60 O ATOM 992 CB GLU A 170 29.071 12.058 63.983 1.00 19.19 C ATOM 993 CG GLU A 170 28.644 10.927 63.051 1.00 23.35 C ATOM 994 CD GLU A 170 27.608 10.006 63.661 1.00 27.43 C ATOM 995 OE1 GLU A 170 26.801 10.471 64.492 1.00 19.88 O ATOM 996 OE2 GLU A 170 27.605 8.814 63.295 1.00 26.60 O ATOM 997 H GLU A 170 30.340 13.961 65.290 1.00 0.00 H ATOM 998 N LYS A 171 29.517 14.839 62.295 1.00 19.37 N ATOM 999 CA LYS A 171 29.308 15.669 61.111 1.00 21.20 C ATOM 1000 C LYS A 171 30.572 15.701 60.242 1.00 18.81 C ATOM 1001 O LYS A 171 30.497 15.548 59.027 1.00 21.94 O ATOM 1002 CB LYS A 171 28.885 17.088 61.498 1.00 23.59 C ATOM 1003 CG LYS A 171 28.920 18.058 60.323 1.00 31.97 C ATOM 1004 CD LYS A 171 28.351 19.430 60.710 1.00 33.82 C ATOM 1005 CE LYS A 171 28.204 20.330 59.486 1.00 55.21 C ATOM 1006 NZ LYS A 171 27.231 21.444 59.724 1.00 57.53 N ATOM 1007 HZ1 LYS A 171 26.297 21.045 59.949 1.00 0.00 H ATOM 1008 HZ2 LYS A 171 27.561 22.027 60.519 1.00 0.00 H ATOM 1009 HZ3 LYS A 171 27.161 22.031 58.868 1.00 0.00 H ATOM 1010 H LYS A 171 29.353 15.231 63.244 1.00 0.00 H ATOM 1011 N ILE A 172 31.730 15.893 60.864 1.00 19.63 N ATOM 1012 CA ILE A 172 32.991 15.890 60.118 1.00 23.52 C ATOM 1013 C ILE A 172 33.294 14.518 59.519 1.00 24.36 C ATOM 1014 O ILE A 172 33.776 14.413 58.393 1.00 22.90 O ATOM 1015 CB ILE A 172 34.182 16.304 61.002 1.00 22.43 C ATOM 1016 CG1 ILE A 172 34.057 17.768 61.430 1.00 24.14 C ATOM 1017 CG2 ILE A 172 35.490 16.079 60.259 1.00 25.26 C ATOM 1018 CD1 ILE A 172 35.000 18.135 62.555 1.00 30.11 C ATOM 1019 H ILE A 172 31.742 16.047 61.892 1.00 0.00 H ATOM 1020 N PHE A 173 33.045 13.466 60.294 1.00 20.32 N ATOM 1021 CA PHE A 173 33.165 12.105 59.780 1.00 18.83 C ATOM 1022 C PHE A 173 32.384 11.947 58.469 1.00 24.08 C ATOM 1023 O PHE A 173 32.924 11.473 57.464 1.00 23.67 O ATOM 1024 CB PHE A 173 32.670 11.109 60.839 1.00 17.08 C ATOM 1025 CG PHE A 173 32.518 9.694 60.346 1.00 18.90 C ATOM 1026 CD1 PHE A 173 33.633 8.904 60.087 1.00 19.28 C ATOM 1027 CD2 PHE A 173 31.254 9.141 60.180 1.00 22.76 C ATOM 1028 CE1 PHE A 173 33.495 7.591 59.663 1.00 18.02 C ATOM 1029 CE2 PHE A 173 31.103 7.830 59.758 1.00 26.91 C ATOM 1030 CZ PHE A 173 32.224 7.054 59.495 1.00 20.19 C ATOM 1031 H PHE A 173 32.760 13.616 61.283 1.00 0.00 H ATOM 1032 N LEU A 174 31.117 12.355 58.468 1.00 18.25 N ATOM 1033 CA LEU A 174 30.275 12.175 57.287 1.00 23.95 C ATOM 1034 C LEU A 174 30.732 13.041 56.122 1.00 23.45 C ATOM 1035 O LEU A 174 30.753 12.588 54.973 1.00 22.96 O ATOM 1036 CB LEU A 174 28.807 12.458 57.612 1.00 22.93 C ATOM 1037 CG LEU A 174 28.175 11.480 58.602 1.00 25.69 C ATOM 1038 CD1 LEU A 174 26.810 11.995 59.053 1.00 29.22 C ATOM 1039 CD2 LEU A 174 28.056 10.067 57.976 1.00 24.54 C ATOM 1040 H LEU A 174 30.722 12.807 59.317 1.00 0.00 H ATOM 1041 N GLN A 175 31.084 14.290 56.416 1.00 23.34 N ATOM 1042 CA GLN A 175 31.614 15.176 55.388 1.00 22.91 C ATOM 1043 C GLN A 175 32.805 14.537 54.676 1.00 25.38 C ATOM 1044 O GLN A 175 32.872 14.541 53.447 1.00 23.95 O ATOM 1045 CB GLN A 175 31.992 16.549 55.971 1.00 24.48 C ATOM 1046 CG GLN A 175 30.778 17.415 56.301 1.00 36.18 C ATOM 1047 CD GLN A 175 31.144 18.746 56.961 1.00 44.84 C ATOM 1048 OE1 GLN A 175 30.457 19.753 56.779 1.00 57.13 O ATOM 1049 NE2 GLN A 175 32.226 18.746 57.739 1.00 36.68 N ATOM 1050 HE22 GLN A 175 32.776 17.873 57.864 1.00 0.00 H ATOM 1051 HE21 GLN A 175 32.520 19.619 58.221 1.00 0.00 H ATOM 1052 H GLN A 175 30.980 14.638 57.391 1.00 0.00 H ATOM 1053 N LYS A 176 33.733 13.970 55.440 1.00 21.84 N ATOM 1054 CA LYS A 176 34.937 13.408 54.837 1.00 24.96 C ATOM 1055 C LYS A 176 34.638 12.096 54.125 1.00 32.16 C ATOM 1056 O LYS A 176 35.215 11.801 53.079 1.00 28.68 O ATOM 1057 CB LYS A 176 36.055 13.204 55.864 1.00 29.19 C ATOM 1058 CG LYS A 176 36.487 14.464 56.602 1.00 35.55 C ATOM 1059 CD LYS A 176 37.156 15.486 55.699 1.00 37.05 C ATOM 1060 CE LYS A 176 37.714 16.659 56.530 1.00 46.35 C ATOM 1061 NZ LYS A 176 38.418 17.688 55.707 1.00 51.90 N ATOM 1062 HZ1 LYS A 176 39.219 17.246 55.213 1.00 0.00 H ATOM 1063 HZ2 LYS A 176 37.756 18.085 55.010 1.00 0.00 H ATOM 1064 HZ3 LYS A 176 38.767 18.446 56.327 1.00 0.00 H ATOM 1065 H LYS A 176 33.601 13.927 56.471 1.00 0.00 H ATOM 1066 N VAL A 177 33.741 11.301 54.694 1.00 23.00 N ATOM 1067 CA VAL A 177 33.346 10.055 54.044 1.00 24.97 C ATOM 1068 C VAL A 177 32.727 10.278 52.662 1.00 24.83 C ATOM 1069 O VAL A 177 32.900 9.456 51.765 1.00 26.22 O ATOM 1070 CB VAL A 177 32.397 9.238 54.940 1.00 23.22 C ATOM 1071 CG1 VAL A 177 31.624 8.220 54.123 1.00 33.02 C ATOM 1072 CG2 VAL A 177 33.200 8.572 56.031 1.00 24.41 C ATOM 1073 H VAL A 177 33.318 11.566 55.606 1.00 0.00 H ATOM 1074 N ALA A 178 32.014 11.387 52.484 1.00 24.99 N ATOM 1075 CA ALA A 178 31.387 11.678 51.194 1.00 25.06 C ATOM 1076 C ALA A 178 32.406 11.860 50.058 1.00 31.93 C ATOM 1077 O ALA A 178 32.042 11.798 48.877 1.00 27.38 O ATOM 1078 CB ALA A 178 30.494 12.904 51.299 1.00 27.71 C ATOM 1079 H ALA A 178 31.901 12.056 53.272 1.00 0.00 H ATOM 1080 N SER A 179 33.672 12.078 50.416 1.00 25.45 N ATOM 1081 CA SER A 179 34.732 12.316 49.427 1.00 28.64 C ATOM 1082 C SER A 179 35.753 11.188 49.371 1.00 29.61 C ATOM 1083 O SER A 179 36.809 11.324 48.767 1.00 28.08 O ATOM 1084 CB SER A 179 35.454 13.642 49.714 1.00 29.08 C ATOM 1085 OG SER A 179 34.572 14.739 49.535 1.00 37.35 O ATOM 1086 HG SER A 179 35.054 15.583 49.724 1.00 0.00 H ATOM 1087 H SER A 179 33.917 12.080 51.427 1.00 0.00 H ATOM 1088 N MET A 180 35.444 10.074 50.015 1.00 27.07 N ATOM 1089 CA MET A 180 36.334 8.923 50.003 1.00 26.50 C ATOM 1090 C MET A 180 36.367 8.318 48.587 1.00 28.14 C ATOM 1091 O MET A 180 35.354 8.334 47.889 1.00 31.68 O ATOM 1092 CB MET A 180 35.817 7.903 51.014 1.00 30.33 C ATOM 1093 CG MET A 180 36.542 6.584 51.043 1.00 33.00 C ATOM 1094 SD MET A 180 35.948 5.604 52.439 1.00 36.70 S ATOM 1095 CE MET A 180 34.205 5.534 52.061 1.00 28.99 C ATOM 1096 H MET A 180 34.548 10.020 50.540 1.00 0.00 H ATOM 1097 N PRO A 181 37.530 7.799 48.160 1.00 35.75 N ATOM 1098 CA PRO A 181 37.626 7.145 46.845 1.00 44.99 C ATOM 1099 C PRO A 181 36.543 6.075 46.699 1.00 46.01 C ATOM 1100 O PRO A 181 36.337 5.303 47.636 1.00 36.13 O ATOM 1101 CB PRO A 181 39.012 6.500 46.877 1.00 49.98 C ATOM 1102 CG PRO A 181 39.797 7.331 47.833 1.00 39.87 C ATOM 1103 CD PRO A 181 38.807 7.753 48.897 1.00 35.15 C ATOM 1104 N GLN A 182 35.867 6.023 45.552 1.00 52.56 N ATOM 1105 CA GLN A 182 34.624 5.250 45.442 1.00 44.81 C ATOM 1106 C GLN A 182 34.798 3.731 45.410 1.00 60.37 C ATOM 1107 O GLN A 182 34.015 3.000 46.027 1.00 48.06 O ATOM 1108 CB GLN A 182 33.788 5.703 44.240 1.00 53.78 C ATOM 1109 CG GLN A 182 34.116 4.998 42.928 1.00 69.29 C ATOM 1110 CD GLN A 182 33.046 5.214 41.865 1.00 78.53 C ATOM 1111 OE1 GLN A 182 32.962 6.287 41.256 1.00 63.30 O ATOM 1112 NE2 GLN A 182 32.215 4.195 41.644 1.00 66.54 N ATOM 1113 HE22 GLN A 182 32.323 3.310 42.180 1.00 0.00 H ATOM 1114 HE21 GLN A 182 31.459 4.285 40.936 1.00 0.00 H ATOM 1115 H GLN A 182 36.225 6.538 44.722 1.00 0.00 H ATOM 1116 N GLU A 183 35.804 3.255 44.681 1.00 65.34 N ATOM 1117 CA GLU A 183 36.025 1.816 44.556 1.00 50.08 C ATOM 1118 C GLU A 183 37.240 1.356 45.336 1.00 41.47 C ATOM 1119 O GLU A 183 38.349 1.855 45.139 1.00 36.22 O ATOM 1120 CB GLU A 183 36.153 1.392 43.093 1.00 50.85 C ATOM 1121 CG GLU A 183 34.823 1.277 42.371 1.00 56.12 C ATOM 1122 CD GLU A 183 34.938 0.529 41.057 1.00 87.45 C ATOM 1123 OE1 GLU A 183 36.071 0.148 40.686 1.00 87.56 O ATOM 1124 OE2 GLU A 183 33.896 0.318 40.400 1.00 86.54 O ATOM 1125 H GLU A 183 36.442 3.916 44.193 1.00 0.00 H ATOM 1126 N GLU A 184 37.023 0.376 46.203 1.00 31.29 N ATOM 1127 CA GLU A 184 38.086 -0.126 47.048 1.00 38.34 C ATOM 1128 C GLU A 184 39.031 -1.037 46.277 1.00 43.62 C ATOM 1129 O GLU A 184 38.603 -1.956 45.573 1.00 41.32 O ATOM 1130 CB GLU A 184 37.516 -0.860 48.257 1.00 35.62 C ATOM 1131 CG GLU A 184 38.545 -1.109 49.330 1.00 32.59 C ATOM 1132 CD GLU A 184 37.922 -1.255 50.704 1.00 37.84 C ATOM 1133 OE1 GLU A 184 36.901 -1.961 50.832 1.00 34.61 O ATOM 1134 OE2 GLU A 184 38.459 -0.667 51.660 1.00 30.94 O ATOM 1135 H GLU A 184 36.072 -0.039 46.277 1.00 0.00 H ATOM 1136 N GLN A 185 40.321 -0.773 46.435 1.00 45.12 N ATOM 1137 CA GLN A 185 41.370 -1.508 45.747 1.00 35.98 C ATOM 1138 C GLN A 185 42.473 -1.808 46.759 1.00 38.79 C ATOM 1139 O GLN A 185 42.887 -0.922 47.514 1.00 38.98 O ATOM 1140 CB GLN A 185 41.916 -0.659 44.598 1.00 40.59 C ATOM 1141 CG GLN A 185 40.819 0.031 43.768 1.00 57.65 C ATOM 1142 CD GLN A 185 41.344 1.165 42.892 1.00 67.01 C ATOM 1143 OE1 GLN A 185 42.468 1.106 42.382 1.00 66.70 O ATOM 1144 NE2 GLN A 185 40.527 2.210 42.718 1.00 48.06 N ATOM 1145 HE22 GLN A 185 39.589 2.217 43.167 1.00 0.00 H ATOM 1146 HE21 GLN A 185 40.830 3.015 42.134 1.00 0.00 H ATOM 1147 H GLN A 185 40.595 -0.005 47.081 1.00 0.00 H ATOM 1148 N GLU A 186 42.936 -3.055 46.800 1.00 36.11 N ATOM 1149 CA GLU A 186 44.031 -3.407 47.701 1.00 44.41 C ATOM 1150 C GLU A 186 45.376 -2.887 47.177 1.00 48.16 C ATOM 1151 O GLU A 186 45.632 -2.907 45.974 1.00 47.49 O ATOM 1152 CB GLU A 186 44.091 -4.920 47.925 1.00 48.31 C ATOM 1153 CG GLU A 186 45.230 -5.351 48.838 1.00 46.50 C ATOM 1154 CD GLU A 186 45.244 -6.846 49.089 1.00 51.30 C ATOM 1155 OE1 GLU A 186 44.366 -7.551 48.545 1.00 52.74 O ATOM 1156 OE2 GLU A 186 46.134 -7.314 49.833 1.00 56.55 O ATOM 1157 H GLU A 186 42.516 -3.783 46.187 1.00 0.00 H ATOM 1158 N LEU A 187 46.229 -2.417 48.082 1.00 45.04 N ATOM 1159 CA LEU A 187 47.560 -1.948 47.699 1.00 53.61 C ATOM 1160 C LEU A 187 48.656 -2.860 48.251 1.00 58.47 C ATOM 1161 O LEU A 187 48.671 -3.184 49.440 1.00 59.74 O ATOM 1162 CB LEU A 187 47.776 -0.505 48.164 1.00 40.81 C ATOM 1163 CG LEU A 187 46.727 0.479 47.625 1.00 57.26 C ATOM 1164 CD1 LEU A 187 46.652 1.740 48.466 1.00 33.53 C ATOM 1165 CD2 LEU A 187 46.977 0.816 46.152 1.00 60.32 C ATOM 1166 H LEU A 187 45.944 -2.382 49.082 1.00 0.00 H TER 1167 LEU A 187 HETATM 1168 O HOH 1 48.104 6.883 63.251 1.00 36.67 O HETATM 1169 O HOH 2 21.658 4.944 82.423 1.00 45.03 O HETATM 1170 O HOH 3 30.899 5.601 72.591 1.00 21.33 O HETATM 1171 O HOH 4 29.696 20.049 80.626 1.00 47.67 O HETATM 1172 O HOH 5 43.878 5.842 73.272 1.00 45.45 O HETATM 1173 O HOH 6 21.399 16.097 64.158 1.00 33.26 O HETATM 1174 O HOH 7 36.280 -4.038 49.494 1.00 43.97 O HETATM 1175 O HOH 8 21.042 10.882 74.355 1.00 35.83 O HETATM 1176 O HOH 9 34.873 -3.750 66.001 1.00 27.06 O HETATM 1177 O HOH 10 33.709 0.569 46.837 1.00 47.95 O HETATM 1178 O HOH 11 40.303 18.677 63.125 1.00 34.93 O HETATM 1179 O HOH 12 36.115 1.316 73.497 1.00 19.82 O HETATM 1180 O HOH 13 31.279 19.593 63.064 1.00 32.63 O HETATM 1181 O HOH 14 30.240 -3.554 77.318 1.00 26.78 O HETATM 1182 O HOH 15 34.286 -3.537 71.122 1.00 39.68 O HETATM 1183 O HOH 16 29.198 5.710 74.791 1.00 18.09 O HETATM 1184 O HOH 17 27.126 -1.146 66.476 1.00 32.65 O HETATM 1185 O HOH 18 25.035 22.215 78.849 1.00 37.38 O HETATM 1186 O HOH 19 31.740 7.647 50.153 1.00 35.12 O HETATM 1187 O HOH 20 43.862 20.663 66.570 1.00 46.44 O HETATM 1188 O HOH 21 36.919 23.307 74.214 1.00 38.85 O HETATM 1189 O HOH 22 44.997 -0.698 56.841 1.00 49.59 O HETATM 1190 O HOH 23 25.856 7.040 64.332 1.00 26.74 O HETATM 1191 O HOH 24 36.632 7.889 77.188 1.00 24.65 O HETATM 1192 O HOH 25 31.819 -6.403 74.334 1.00 31.85 O HETATM 1193 O HOH 26 39.835 2.798 86.042 1.00 28.42 O HETATM 1194 O HOH 27 26.233 15.124 63.365 1.00 40.11 O HETATM 1195 O HOH 28 31.469 -1.651 65.275 1.00 30.32 O HETATM 1196 O HOH 29 32.175 -3.903 52.407 1.00 46.38 O HETATM 1197 O HOH 30 45.635 14.025 63.964 1.00 35.07 O HETATM 1198 O HOH 31 31.719 3.097 73.623 1.00 18.48 O HETATM 1199 O HOH 32 34.840 0.531 81.635 1.00 30.34 O HETATM 1200 O HOH 33 45.371 14.651 55.414 1.00 40.89 O HETATM 1201 O HOH 34 27.884 0.417 63.032 1.00 22.40 O HETATM 1202 O HOH 35 41.376 11.205 83.000 1.00 41.82 O HETATM 1203 O HOH 36 49.664 2.469 53.587 1.00 35.98 O HETATM 1204 O HOH 37 34.312 1.114 77.397 1.00 22.23 O HETATM 1205 O HOH 38 27.533 7.405 60.913 1.00 33.68 O HETATM 1206 O HOH 39 24.190 19.972 75.914 1.00 37.65 O HETATM 1207 O HOH 40 39.783 4.083 79.328 1.00 27.07 O HETATM 1208 O HOH 41 41.973 11.847 76.308 1.00 41.83 O HETATM 1209 O HOH 42 43.942 12.914 74.931 1.00 47.19 O HETATM 1210 O HOH 43 40.527 17.125 72.149 1.00 23.69 O HETATM 1211 O HOH 44 42.157 15.708 57.489 1.00 37.97 O HETATM 1212 O HOH 45 25.520 0.925 69.117 1.00 33.04 O HETATM 1213 O HOH 46 30.340 11.015 85.074 1.00 50.04 O HETATM 1214 O HOH 47 23.033 17.635 74.241 1.00 32.46 O HETATM 1215 O HOH 48 21.143 -2.057 75.068 1.00 37.69 O HETATM 1216 O HOH 49 26.972 -1.327 71.471 1.00 21.81 O HETATM 1217 O HOH 50 33.918 0.317 49.509 1.00 48.12 O HETATM 1218 O HOH 51 19.527 7.967 74.855 1.00 29.25 O HETATM 1219 O HOH 52 24.574 10.394 81.443 1.00 48.61 O HETATM 1220 O HOH 53 23.817 13.217 83.156 1.00 49.60 O HETATM 1221 O HOH 54 34.320 2.846 74.994 1.00 22.20 O HETATM 1222 O HOH 55 29.126 -0.937 83.673 1.00 33.49 O HETATM 1223 O HOH 56 35.770 -4.590 69.362 1.00 41.62 O HETATM 1224 O HOH 57 22.637 8.145 81.028 1.00 39.78 O HETATM 1225 O HOH 58 37.453 4.918 43.044 1.00 46.25 O HETATM 1226 O HOH 59 43.669 -1.464 42.027 1.00 51.25 O HETATM 1227 O HOH 60 22.436 20.379 79.585 1.00 40.31 O HETATM 1228 O HOH 61 38.290 15.183 51.653 1.00 48.14 O HETATM 1229 O HOH 62 36.584 10.303 88.742 1.00 45.29 O HETATM 1230 O HOH 63 35.034 18.303 57.237 1.00 48.51 O HETATM 1231 O HOH 64 36.810 -9.210 57.004 1.00 49.02 O HETATM 1232 O HOH 65 46.933 -7.439 58.544 1.00 49.00 O HETATM 1233 O HOH 66 40.799 6.293 82.923 1.00 40.15 O HETATM 1234 O HOH 67 40.388 20.336 73.948 1.00 39.39 O HETATM 1235 O HOH 68 39.447 21.590 66.761 1.00 27.42 O HETATM 1236 O HOH 69 26.516 17.818 80.322 1.00 32.44 O HETATM 1237 O HOH 70 38.306 0.820 84.939 1.00 36.78 O HETATM 1238 O HOH 71 43.151 -1.348 58.685 1.00 37.46 O HETATM 1239 O HOH 72 39.635 7.091 80.151 1.00 40.34 O HETATM 1240 O HOH 73 28.186 15.013 79.005 1.00 21.81 O HETATM 1241 O HOH 74 36.601 7.485 79.984 1.00 28.17 O HETATM 1242 O HOH 75 32.975 4.228 90.517 1.00 47.14 O HETATM 1243 O HOH 76 47.506 -5.199 51.701 1.00 41.05 O HETATM 1244 O HOH 77 45.709 4.570 69.607 1.00 41.04 O HETATM 1245 O HOH 78 24.662 -2.264 72.689 1.00 35.17 O HETATM 1246 O HOH 79 25.463 -7.280 81.527 1.00 35.98 O HETATM 1247 O HOH 80 50.123 0.648 66.523 1.00 50.77 O HETATM 1248 O HOH 81 34.319 -0.863 51.949 1.00 37.58 O HETATM 1249 O HOH 82 31.774 20.489 60.174 1.00 44.61 O HETATM 1250 O HOH 83 38.098 10.382 80.274 1.00 48.27 O HETATM 1251 O HOH 84 34.440 15.427 82.574 1.00 40.88 O HETATM 1252 O HOH 85 27.166 -5.788 68.891 1.00 44.53 O HETATM 1253 O HOH 86 29.426 -5.951 78.593 1.00 33.92 O HETATM 1254 O HOH 87 41.588 -4.013 68.819 1.00 46.15 O HETATM 1255 O HOH 88 22.902 -7.644 79.373 1.00 42.60 O HETATM 1256 O HOH 89 42.378 2.829 73.172 1.00 50.34 O HETATM 1257 O HOH 90 36.142 -2.880 72.793 1.00 44.08 O HETATM 1258 O HOH 91 43.285 17.375 59.377 1.00 41.95 O HETATM 1259 O HOH 92 40.949 20.730 64.694 1.00 36.06 O HETATM 1260 O HOH 93 26.517 -2.094 68.739 1.00 47.04 O HETATM 1261 O HOH 94 43.103 -8.561 57.764 1.00 44.59 O HETATM 1262 O HOH 95 25.466 0.771 65.950 1.00 30.97 O HETATM 1263 O HOH 96 29.495 21.184 63.776 1.00 37.82 O HETATM 1264 O HOH 97 32.539 -5.083 76.661 1.00 35.22 O HETATM 1265 O HOH 98 38.833 1.193 80.083 1.00 39.34 O HETATM 1266 O HOH 99 36.946 -1.225 74.470 1.00 29.84 O HETATM 1267 O HOH 100 16.213 15.233 78.483 1.00 46.37 O HETATM 1268 O HOH 101 42.230 3.992 78.303 1.00 41.53 O HETATM 1269 O HOH 102 46.464 5.496 71.648 1.00 50.33 O HETATM 1270 O HOH 103 35.708 -1.079 77.166 1.00 34.47 O HETATM 1271 O HOH 104 29.281 17.938 82.193 1.00 50.81 O HETATM 1272 O HOH 105 38.104 11.781 86.721 1.00 39.47 O HETATM 1273 O HOH 106 31.564 -2.002 84.847 1.00 44.23 O HETATM 1274 O HOH 107 44.644 -9.800 59.450 1.00 58.17 O HETATM 1275 O HOH 108 18.764 3.104 80.711 1.00 46.60 O HETATM 1276 C01 JWA A 109 31.820 11.063 78.956 1.00 -0.04 C HETATM 1277 C02 JWA A 109 32.381 10.080 78.141 1.00 -0.04 C HETATM 1278 C03 JWA A 109 33.760 9.853 78.165 1.00 -0.07 C HETATM 1279 C04 JWA A 109 34.570 10.626 79.001 1.00 -0.07 C HETATM 1280 C05 JWA A 109 34.025 11.618 79.838 1.00 -0.03 C HETATM 1281 C06 JWA A 109 32.630 11.827 79.804 1.00 0.10 C HETATM 1282 S08 JWA A 109 31.787 13.034 80.821 1.00 0.06 S HETATM 1283 O09 JWA A 109 32.159 12.734 82.188 1.00 -0.15 O HETATM 1284 O10 JWA A 109 30.388 13.018 80.429 1.00 -0.15 O HETATM 1285 N12 JWA A 109 32.465 14.498 80.311 1.00 -0.25 N HETATM 1286 C13 JWA A 109 31.932 15.190 79.123 1.00 0.04 C HETATM 1287 C14 JWA A 109 31.197 16.442 79.597 1.00 -0.03 C HETATM 1288 C15 JWA A 109 32.353 17.357 79.987 1.00 -0.05 C HETATM 1289 C16 JWA A 109 33.444 17.083 78.958 1.00 -0.05 C HETATM 1290 C17 JWA A 109 33.091 15.748 78.306 1.00 -0.03 C HETATM 1291 H15 JWA A 109 32.786 15.900 77.260 1.00 0.03 H HETATM 1292 H16 JWA A 109 33.951 15.063 78.342 1.00 0.03 H HETATM 1293 H13 JWA A 109 34.425 17.019 79.451 1.00 0.03 H HETATM 1294 H14 JWA A 109 33.465 17.882 78.203 1.00 0.03 H HETATM 1295 H11 JWA A 109 32.709 17.118 81.000 1.00 0.03 H HETATM 1296 H12 JWA A 109 32.041 18.411 79.947 1.00 0.03 H HETATM 1297 H9 JWA A 109 30.551 16.224 80.460 1.00 0.03 H HETATM 1298 H10 JWA A 109 30.594 16.882 78.789 1.00 0.03 H HETATM 1299 H8 JWA A 109 31.288 14.525 78.529 1.00 0.05 H HETATM 1300 H7 JWA A 109 33.230 14.896 80.817 1.00 0.17 H HETATM 1301 C11 JWA A 109 34.984 12.389 80.705 1.00 -0.03 C HETATM 1302 H4 JWA A 109 36.007 12.024 80.534 1.00 0.04 H HETATM 1303 H5 JWA A 109 34.716 12.249 81.763 1.00 0.04 H HETATM 1304 H6 JWA A 109 34.929 13.458 80.451 1.00 0.04 H HETATM 1305 H3 JWA A 109 35.641 10.458 79.005 1.00 0.05 H HETATM 1306 H2 JWA A 109 34.198 9.083 77.540 1.00 0.05 H HETATM 1307 C07 JWA A 109 31.506 9.312 77.286 1.00 0.02 C HETATM 1308 C18 JWA A 109 31.648 9.186 75.925 1.00 0.17 C HETATM 1309 O19 JWA A 109 30.639 8.398 75.452 1.00 -0.17 O HETATM 1310 N20 JWA A 109 29.820 8.003 76.520 1.00 -0.17 N HETATM 1311 C21 JWA A 109 30.351 8.560 77.612 1.00 0.02 C HETATM 1312 C22 JWA A 109 29.750 8.376 78.957 1.00 -0.03 C HETATM 1313 H17 JWA A 109 28.858 7.737 78.876 1.00 0.04 H HETATM 1314 H18 JWA A 109 29.463 9.355 79.367 1.00 0.04 H HETATM 1315 H19 JWA A 109 30.483 7.899 79.624 1.00 0.04 H HETATM 1316 C23 JWA A 109 32.636 9.684 74.936 1.00 0.11 C HETATM 1317 N24 JWA A 109 33.617 8.630 74.665 1.00 -0.27 N HETATM 1318 C25 JWA A 109 33.386 7.641 73.714 1.00 0.18 C HETATM 1319 O26 JWA A 109 32.373 7.554 73.031 1.00 -0.40 O HETATM 1320 C27 JWA A 109 34.507 6.644 73.552 1.00 0.03 C HETATM 1321 H23 JWA A 109 34.233 5.906 72.783 1.00 0.05 H HETATM 1322 H24 JWA A 109 34.681 6.129 74.508 1.00 0.05 H HETATM 1323 H25 JWA A 109 35.424 7.169 73.246 1.00 0.05 H HETATM 1324 H22 JWA A 109 34.476 8.621 75.177 1.00 0.19 H HETATM 1325 H20 JWA A 109 33.149 10.569 75.341 1.00 0.08 H HETATM 1326 H21 JWA A 109 32.119 9.955 74.003 1.00 0.08 H HETATM 1327 H1 JWA A 109 30.750 11.236 78.933 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1276 1277 1281 1327 CONECT 1277 1276 1278 1307 CONECT 1278 1277 1279 1306 CONECT 1279 1278 1280 1305 CONECT 1280 1279 1281 1301 CONECT 1281 1276 1280 1282 CONECT 1282 1281 1283 1284 1285 CONECT 1283 1282 CONECT 1284 1282 CONECT 1285 1282 1286 1300 CONECT 1286 1285 1287 1290 1299 CONECT 1287 1286 1288 1297 1298 CONECT 1288 1287 1289 1295 1296 CONECT 1289 1288 1290 1293 1294 CONECT 1290 1286 1289 1291 1292 CONECT 1291 1290 CONECT 1292 1290 CONECT 1293 1289 CONECT 1294 1289 CONECT 1295 1288 CONECT 1296 1288 CONECT 1297 1287 CONECT 1298 1287 CONECT 1299 1286 CONECT 1300 1285 CONECT 1301 1280 1302 1303 1304 CONECT 1302 1301 CONECT 1303 1301 CONECT 1304 1301 CONECT 1305 1279 CONECT 1306 1278 CONECT 1307 1277 1308 1311 CONECT 1308 1307 1309 1316 CONECT 1309 1308 1310 CONECT 1310 1309 1311 CONECT 1311 1307 1310 1312 CONECT 1312 1311 1313 1314 1315 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1312 CONECT 1316 1308 1317 1325 1326 CONECT 1317 1316 1318 1324 CONECT 1318 1317 1319 1320 CONECT 1319 1318 CONECT 1320 1318 1321 1322 1323 CONECT 1321 1320 CONECT 1322 1320 CONECT 1323 1320 CONECT 1324 1317 CONECT 1325 1316 CONECT 1326 1316 CONECT 1327 1276 MASTER 0 0 0 0 0 0 0 0 1326 1 56 9 END
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Related entries of code: 6mo7
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PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
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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
6mo7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 2
Ligand Name
JWA
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
IC50=9376nM
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
2
5
N
3
O
4
S
Molecular Weight
391.485
Exact Mass
391.157
No. of atoms
52
No. of bonds
54
Polar Surface Area
109.68
LOGP Value
2.14 (
Computed with XLOGP3
)
4.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
CC(=O)NCc1onc(c1c1ccc(c(c1)S(=O)(=O)NC1CCCC1)C)C
InChI String
InChI=1S/C19H25N3O4S/c1-12-8-9-15(19-13(2)21-26-17(19)11-20-14(3)23)10-18(12)27(24,25)22-16-6-4-5-7-16/h8-10,16,22H,4-7,11H2,1-3H3,(H,20,23)
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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