Browse entries in the PDBbind-CN Database
HEADER 1JQ8_COMPLEX COMPND 1JQ8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU LEU GLU PHE GLY LYS MET ILE LEU GLU GLU THR SEQRES 2 A 121 GLY LYS LEU ALA ILE PRO SER TYR SER SER TYR GLY CYS SEQRES 3 A 121 TYR CYS GLY TRP GLY GLY LYS GLY THR PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS PHE VAL HIS ASP CYS CYS TYR GLY SEQRES 5 A 121 ASN LEU PRO ASP CYS ASN PRO LYS SER ASP ARG TYR LYS SEQRES 6 A 121 TYR LYS ARG VAL ASN GLY ALA ILE VAL CYS GLU LYS GLY SEQRES 7 A 121 THR SER CYS GLU ASN ARG ILE CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 ALA ALA ILE CYS PHE ARG GLN ASN LEU ASN THR TYR SER SEQRES 9 A 121 LYS LYS TYR MET LEU TYR PRO ASP PHE LEU CYS LYS GLY SEQRES 10 A 121 GLU LEU LYS CYS HET LEU A 266 83 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 ATOM 1 N SER A 1 16.890 12.554 41.973 1.00 29.44 N ATOM 2 CA SER A 1 17.326 13.803 41.285 1.00 31.69 C ATOM 3 C SER A 1 16.171 14.797 41.284 1.00 32.37 C ATOM 4 O SER A 1 15.116 14.539 41.871 1.00 30.87 O ATOM 5 CB SER A 1 17.733 13.496 39.842 1.00 33.74 C ATOM 6 OG SER A 1 16.603 13.097 39.072 1.00 37.25 O ATOM 7 HA SER A 1 18.182 14.224 41.811 1.00 0.00 H ATOM 8 HB2 SER A 1 18.469 12.692 39.841 1.00 0.00 H ATOM 9 HB3 SER A 1 18.172 14.389 39.397 1.00 0.00 H ATOM 10 HG SER A 1 16.203 12.284 39.471 1.00 0.00 H ATOM 11 HN3 SER A 1 16.077 12.147 41.468 1.00 0.00 H ATOM 12 HN2 SER A 1 16.616 12.776 42.951 1.00 0.00 H ATOM 13 HN1 SER A 1 17.674 11.870 41.977 1.00 0.00 H ATOM 14 N LEU A 2 16.389 15.936 40.633 1.00 32.22 N ATOM 15 CA LEU A 2 15.393 16.992 40.546 1.00 35.04 C ATOM 16 C LEU A 2 14.064 16.465 40.014 1.00 35.43 C ATOM 17 O LEU A 2 12.999 17.008 40.323 1.00 33.44 O ATOM 18 CB LEU A 2 15.912 18.124 39.647 1.00 39.04 C ATOM 19 CG LEU A 2 17.030 19.029 40.191 1.00 42.64 C ATOM 20 CD1 LEU A 2 18.179 18.193 40.721 1.00 45.46 C ATOM 21 CD2 LEU A 2 17.508 19.980 39.105 1.00 44.15 C ATOM 22 HA LEU A 2 15.219 17.377 41.551 1.00 0.00 H ATOM 23 HB2 LEU A 2 16.284 17.665 38.731 1.00 0.00 H ATOM 24 HB3 LEU A 2 15.063 18.765 39.411 1.00 0.00 H ATOM 25 HG LEU A 2 16.634 19.620 41.017 1.00 0.00 H ATOM 26 HD21 LEU A 2 17.891 19.404 38.263 1.00 0.00 H ATOM 27 HD22 LEU A 2 16.675 20.600 38.774 1.00 0.00 H ATOM 28 HD23 LEU A 2 18.299 20.615 39.503 1.00 0.00 H ATOM 29 HD11 LEU A 2 17.819 17.551 41.525 1.00 0.00 H ATOM 30 HD12 LEU A 2 18.581 17.578 39.916 1.00 0.00 H ATOM 31 HD13 LEU A 2 18.960 18.851 41.102 1.00 0.00 H ATOM 32 H LEU A 2 17.308 16.077 40.168 1.00 0.00 H ATOM 33 N LEU A 3 14.139 15.401 39.215 1.00 36.56 N ATOM 34 CA LEU A 3 12.965 14.761 38.623 1.00 36.54 C ATOM 35 C LEU A 3 12.011 14.176 39.680 1.00 35.08 C ATOM 36 O LEU A 3 10.817 14.473 39.661 1.00 32.60 O ATOM 37 CB LEU A 3 13.430 13.676 37.640 1.00 39.71 C ATOM 38 CG LEU A 3 12.438 12.625 37.131 1.00 42.81 C ATOM 39 CD1 LEU A 3 11.151 13.280 36.669 1.00 44.27 C ATOM 40 CD2 LEU A 3 13.085 11.846 35.994 1.00 44.81 C ATOM 41 HA LEU A 3 12.394 15.523 38.092 1.00 0.00 H ATOM 42 HB2 LEU A 3 13.819 14.192 36.762 1.00 0.00 H ATOM 43 HB3 LEU A 3 14.239 13.134 38.129 1.00 0.00 H ATOM 44 HG LEU A 3 12.186 11.942 37.942 1.00 0.00 H ATOM 45 HD21 LEU A 3 13.343 12.531 35.187 1.00 0.00 H ATOM 46 HD22 LEU A 3 13.988 11.356 36.359 1.00 0.00 H ATOM 47 HD23 LEU A 3 12.386 11.095 35.625 1.00 0.00 H ATOM 48 HD11 LEU A 3 10.699 13.817 37.503 1.00 0.00 H ATOM 49 HD12 LEU A 3 11.370 13.978 35.861 1.00 0.00 H ATOM 50 HD13 LEU A 3 10.463 12.514 36.312 1.00 0.00 H ATOM 51 H LEU A 3 15.078 15.007 39.002 1.00 0.00 H ATOM 52 N GLU A 4 12.531 13.354 40.593 1.00 32.65 N ATOM 53 CA GLU A 4 11.704 12.757 41.649 1.00 31.98 C ATOM 54 C GLU A 4 11.211 13.796 42.660 1.00 32.62 C ATOM 55 O GLU A 4 10.036 13.802 43.042 1.00 31.81 O ATOM 56 CB GLU A 4 12.486 11.680 42.413 1.00 35.35 C ATOM 57 CG GLU A 4 12.798 10.400 41.633 1.00 38.46 C ATOM 58 CD GLU A 4 13.776 10.620 40.496 1.00 41.61 C ATOM 59 OE1 GLU A 4 14.893 11.121 40.748 1.00 43.07 O ATOM 60 OE2 GLU A 4 13.431 10.287 39.345 1.00 45.60 O ATOM 61 HA GLU A 4 10.843 12.317 41.146 1.00 0.00 H ATOM 62 HB2 GLU A 4 13.433 12.117 42.731 1.00 0.00 H ATOM 63 HB3 GLU A 4 11.902 11.403 43.291 1.00 0.00 H ATOM 64 HG2 GLU A 4 13.224 9.669 42.321 1.00 0.00 H ATOM 65 HG3 GLU A 4 11.868 10.010 41.220 1.00 0.00 H ATOM 66 H GLU A 4 13.546 13.131 40.556 1.00 0.00 H ATOM 67 N PHE A 5 12.127 14.657 43.100 1.00 30.13 N ATOM 68 CA PHE A 5 11.821 15.706 44.071 1.00 27.99 C ATOM 69 C PHE A 5 10.707 16.606 43.553 1.00 27.65 C ATOM 70 O PHE A 5 9.797 16.986 44.296 1.00 26.63 O ATOM 71 CB PHE A 5 13.085 16.532 44.355 1.00 27.02 C ATOM 72 CG PHE A 5 12.912 17.590 45.422 1.00 24.05 C ATOM 73 CD1 PHE A 5 11.965 17.451 46.426 1.00 23.74 C ATOM 74 CD2 PHE A 5 13.741 18.705 45.437 1.00 23.95 C ATOM 75 CE1 PHE A 5 11.845 18.409 47.432 1.00 25.87 C ATOM 76 CE2 PHE A 5 13.634 19.674 46.435 1.00 24.62 C ATOM 77 CZ PHE A 5 12.686 19.528 47.435 1.00 25.49 C ATOM 78 HA PHE A 5 11.481 15.242 44.997 1.00 0.00 H ATOM 79 HB2 PHE A 5 13.873 15.851 44.674 1.00 0.00 H ATOM 80 HB3 PHE A 5 13.385 17.025 43.431 1.00 0.00 H ATOM 81 HD2 PHE A 5 14.490 18.825 44.654 1.00 0.00 H ATOM 82 HE2 PHE A 5 14.293 20.542 46.428 1.00 0.00 H ATOM 83 HZ PHE A 5 12.596 20.280 48.219 1.00 0.00 H ATOM 84 HE1 PHE A 5 11.097 18.287 48.215 1.00 0.00 H ATOM 85 HD1 PHE A 5 11.307 16.582 46.429 1.00 0.00 H ATOM 86 H PHE A 5 13.099 14.580 42.738 1.00 0.00 H ATOM 87 N GLY A 6 10.773 16.939 42.271 1.00 27.34 N ATOM 88 CA GLY A 6 9.747 17.781 41.691 1.00 27.96 C ATOM 89 C GLY A 6 8.380 17.128 41.671 1.00 29.68 C ATOM 90 O GLY A 6 7.353 17.799 41.822 1.00 29.73 O ATOM 91 HA3 GLY A 6 10.032 18.019 40.666 1.00 0.00 H ATOM 92 HA2 GLY A 6 9.683 18.701 42.273 1.00 0.00 H ATOM 93 H GLY A 6 11.560 16.596 41.683 1.00 0.00 H ATOM 94 N LYS A 7 8.365 15.816 41.465 1.00 29.79 N ATOM 95 CA LYS A 7 7.124 15.049 41.437 1.00 32.64 C ATOM 96 C LYS A 7 6.512 15.096 42.832 1.00 32.10 C ATOM 97 O LYS A 7 5.303 15.270 42.987 1.00 32.33 O ATOM 98 CB LYS A 7 7.420 13.601 41.033 1.00 33.51 C ATOM 99 CG LYS A 7 6.227 12.658 41.047 1.00 39.37 C ATOM 100 CD LYS A 7 6.679 11.232 40.726 1.00 43.35 C ATOM 101 CE LYS A 7 5.517 10.243 40.703 1.00 45.84 C ATOM 102 NZ LYS A 7 5.995 8.833 40.555 1.00 49.26 N ATOM 103 HA LYS A 7 6.429 15.470 40.711 1.00 0.00 H ATOM 104 HB2 LYS A 7 7.828 13.611 40.022 1.00 0.00 H ATOM 105 HB3 LYS A 7 8.168 13.207 41.721 1.00 0.00 H ATOM 106 HG2 LYS A 7 5.764 12.676 42.034 1.00 0.00 H ATOM 107 HG3 LYS A 7 5.502 12.983 40.301 1.00 0.00 H ATOM 108 HD2 LYS A 7 7.161 11.229 39.748 1.00 0.00 H ATOM 109 HD3 LYS A 7 7.395 10.913 41.483 1.00 0.00 H ATOM 110 HE2 LYS A 7 4.863 10.485 39.865 1.00 0.00 H ATOM 111 HE3 LYS A 7 4.959 10.331 41.635 1.00 0.00 H ATOM 112 HZ1 LYS A 7 6.524 8.739 39.664 1.00 0.00 H ATOM 113 HZ2 LYS A 7 6.615 8.593 41.355 1.00 0.00 H ATOM 114 HZ3 LYS A 7 5.177 8.190 40.543 1.00 0.00 H ATOM 115 H LYS A 7 9.267 15.319 41.319 1.00 0.00 H ATOM 116 N MET A 8 7.363 14.937 43.845 1.00 32.30 N ATOM 117 CA MET A 8 6.934 14.974 45.238 1.00 30.47 C ATOM 118 C MET A 8 6.348 16.335 45.568 1.00 30.15 C ATOM 119 O MET A 8 5.305 16.437 46.216 1.00 30.92 O ATOM 120 CB MET A 8 8.118 14.725 46.176 1.00 33.52 C ATOM 121 CG MET A 8 8.379 13.279 46.543 1.00 34.07 C ATOM 122 SD MET A 8 9.702 13.183 47.786 1.00 34.77 S ATOM 123 CE MET A 8 10.657 11.835 47.137 1.00 36.41 C ATOM 124 HA MET A 8 6.184 14.195 45.376 1.00 0.00 H ATOM 125 HB2 MET A 8 9.014 15.114 45.693 1.00 0.00 H ATOM 126 HB3 MET A 8 7.935 15.276 47.098 1.00 0.00 H ATOM 127 HG2 MET A 8 8.680 12.729 45.652 1.00 0.00 H ATOM 128 HG3 MET A 8 7.468 12.839 46.950 1.00 0.00 H ATOM 129 HE1 MET A 8 10.035 10.941 47.087 1.00 0.00 H ATOM 130 HE2 MET A 8 11.010 12.090 46.138 1.00 0.00 H ATOM 131 HE3 MET A 8 11.511 11.649 47.789 1.00 0.00 H ATOM 132 H MET A 8 8.369 14.781 43.634 1.00 0.00 H ATOM 133 N ILE A 9 7.039 17.384 45.138 1.00 28.61 N ATOM 134 CA ILE A 9 6.584 18.739 45.408 1.00 28.74 C ATOM 135 C ILE A 9 5.195 18.961 44.814 1.00 29.86 C ATOM 136 O ILE A 9 4.316 19.528 45.466 1.00 31.22 O ATOM 137 CB ILE A 9 7.581 19.782 44.842 1.00 26.75 C ATOM 138 CG1 ILE A 9 8.931 19.645 45.562 1.00 27.26 C ATOM 139 CG2 ILE A 9 7.031 21.189 45.023 1.00 26.36 C ATOM 140 CD1 ILE A 9 10.019 20.563 45.045 1.00 24.08 C ATOM 141 HA ILE A 9 6.531 18.869 46.489 1.00 0.00 H ATOM 142 HB ILE A 9 7.722 19.600 43.777 1.00 0.00 H ATOM 143 HG12 ILE A 9 8.776 19.863 46.619 1.00 0.00 H ATOM 144 HG13 ILE A 9 9.273 18.616 45.450 1.00 0.00 H ATOM 145 HD11 ILE A 9 10.200 20.352 43.991 1.00 0.00 H ATOM 146 HD12 ILE A 9 9.703 21.600 45.160 1.00 0.00 H ATOM 147 HD13 ILE A 9 10.934 20.395 45.613 1.00 0.00 H ATOM 148 HG21 ILE A 9 6.083 21.278 44.493 1.00 0.00 H ATOM 149 HG22 ILE A 9 6.876 21.383 46.084 1.00 0.00 H ATOM 150 HG23 ILE A 9 7.742 21.910 44.621 1.00 0.00 H ATOM 151 H ILE A 9 7.917 17.235 44.601 1.00 0.00 H ATOM 152 N LEU A 10 4.989 18.512 43.581 1.00 30.27 N ATOM 153 CA LEU A 10 3.687 18.680 42.952 1.00 31.54 C ATOM 154 C LEU A 10 2.622 17.901 43.723 1.00 32.43 C ATOM 155 O LEU A 10 1.558 18.432 44.032 1.00 31.95 O ATOM 156 CB LEU A 10 3.728 18.203 41.497 1.00 32.98 C ATOM 157 CG LEU A 10 2.384 18.268 40.764 1.00 34.64 C ATOM 158 CD1 LEU A 10 1.854 19.694 40.783 1.00 36.33 C ATOM 159 CD2 LEU A 10 2.555 17.782 39.338 1.00 36.73 C ATOM 160 HA LEU A 10 3.433 19.740 42.967 1.00 0.00 H ATOM 161 HB2 LEU A 10 4.441 18.825 40.955 1.00 0.00 H ATOM 162 HB3 LEU A 10 4.070 17.168 41.488 1.00 0.00 H ATOM 163 HG LEU A 10 1.664 17.624 41.269 1.00 0.00 H ATOM 164 HD21 LEU A 10 3.278 18.415 38.824 1.00 0.00 H ATOM 165 HD22 LEU A 10 2.913 16.752 39.347 1.00 0.00 H ATOM 166 HD23 LEU A 10 1.596 17.830 38.822 1.00 0.00 H ATOM 167 HD11 LEU A 10 1.718 20.016 41.815 1.00 0.00 H ATOM 168 HD12 LEU A 10 2.568 20.352 40.287 1.00 0.00 H ATOM 169 HD13 LEU A 10 0.898 19.732 40.260 1.00 0.00 H ATOM 170 H LEU A 10 5.759 18.040 43.065 1.00 0.00 H ATOM 171 N GLU A 11 2.916 16.646 44.011 1.00 33.76 N ATOM 172 CA GLU A 11 2.037 15.770 44.769 1.00 37.36 C ATOM 173 C GLU A 11 1.580 16.364 46.136 1.00 37.37 C ATOM 174 O GLU A 11 0.422 16.277 46.502 1.00 39.77 O ATOM 175 CB GLU A 11 2.775 14.455 45.021 1.00 39.04 C ATOM 176 CG GLU A 11 2.415 13.369 44.011 1.00 45.02 C ATOM 177 CD GLU A 11 3.437 12.249 43.844 1.00 47.43 C ATOM 178 OE1 GLU A 11 4.124 11.890 44.829 1.00 47.48 O ATOM 179 OE2 GLU A 11 3.549 11.715 42.712 1.00 52.09 O ATOM 180 HA GLU A 11 1.133 15.630 44.176 1.00 0.00 H ATOM 181 HB2 GLU A 11 3.847 14.641 44.964 1.00 0.00 H ATOM 182 HB3 GLU A 11 2.522 14.099 46.020 1.00 0.00 H ATOM 183 HG2 GLU A 11 1.474 12.918 44.326 1.00 0.00 H ATOM 184 HG3 GLU A 11 2.281 13.846 43.040 1.00 0.00 H ATOM 185 H GLU A 11 3.824 16.264 43.678 1.00 0.00 H ATOM 186 N GLU A 12 2.541 16.944 46.846 1.00 36.01 N ATOM 187 CA GLU A 12 2.303 17.491 48.177 1.00 33.55 C ATOM 188 C GLU A 12 1.762 18.918 48.224 1.00 34.29 C ATOM 189 O GLU A 12 1.055 19.283 49.162 1.00 31.05 O ATOM 190 CB GLU A 12 3.601 17.452 48.992 1.00 35.16 C ATOM 191 CG GLU A 12 4.155 16.065 49.273 1.00 35.48 C ATOM 192 CD GLU A 12 3.230 15.235 50.148 1.00 37.30 C ATOM 193 OE1 GLU A 12 2.701 15.785 51.140 1.00 36.28 O ATOM 194 OE2 GLU A 12 3.044 14.035 49.849 1.00 36.85 O ATOM 195 HA GLU A 12 1.522 16.855 48.594 1.00 0.00 H ATOM 196 HB2 GLU A 12 4.359 18.012 48.444 1.00 0.00 H ATOM 197 HB3 GLU A 12 3.412 17.939 49.949 1.00 0.00 H ATOM 198 HG2 GLU A 12 4.298 15.547 48.325 1.00 0.00 H ATOM 199 HG3 GLU A 12 5.115 16.168 49.778 1.00 0.00 H ATOM 200 H GLU A 12 3.496 17.010 46.439 1.00 0.00 H ATOM 201 N THR A 13 2.104 19.734 47.231 1.00 33.23 N ATOM 202 CA THR A 13 1.668 21.130 47.234 1.00 32.61 C ATOM 203 C THR A 13 0.675 21.510 46.142 1.00 34.00 C ATOM 204 O THR A 13 -0.014 22.525 46.253 1.00 32.89 O ATOM 205 CB THR A 13 2.874 22.088 47.097 1.00 30.83 C ATOM 206 OG1 THR A 13 3.408 21.994 45.768 1.00 29.07 O ATOM 207 CG2 THR A 13 3.962 21.728 48.102 1.00 29.55 C ATOM 208 HA THR A 13 1.161 21.232 48.194 1.00 0.00 H ATOM 209 HB THR A 13 2.536 23.106 47.294 1.00 0.00 H ATOM 210 HG1 THR A 13 3.702 21.064 45.597 1.00 0.00 H ATOM 211 HG23 THR A 13 3.559 21.799 49.112 1.00 0.00 H ATOM 212 HG21 THR A 13 4.304 20.710 47.916 1.00 0.00 H ATOM 213 HG22 THR A 13 4.798 22.419 47.994 1.00 0.00 H ATOM 214 H THR A 13 2.686 19.377 46.447 1.00 0.00 H ATOM 215 N GLY A 14 0.608 20.705 45.088 1.00 36.16 N ATOM 216 CA GLY A 14 -0.287 21.024 43.992 1.00 37.88 C ATOM 217 C GLY A 14 0.326 22.114 43.129 1.00 38.73 C ATOM 218 O GLY A 14 -0.326 22.652 42.237 1.00 38.10 O ATOM 219 HA3 GLY A 14 -1.240 21.371 44.392 1.00 0.00 H ATOM 220 HA2 GLY A 14 -0.451 20.132 43.387 1.00 0.00 H ATOM 221 H GLY A 14 1.196 19.848 45.048 1.00 0.00 H ATOM 222 N LYS A 16 1.581 22.452 43.411 1.00 37.30 N ATOM 223 CA LYS A 16 2.309 23.469 42.653 1.00 36.75 C ATOM 224 C LYS A 16 3.459 22.805 41.901 1.00 36.43 C ATOM 225 O LYS A 16 4.027 21.825 42.375 1.00 35.10 O ATOM 226 CB LYS A 16 2.906 24.531 43.585 1.00 37.47 C ATOM 227 CG LYS A 16 1.917 25.392 44.356 1.00 39.18 C ATOM 228 CD LYS A 16 2.680 26.355 45.258 1.00 41.96 C ATOM 229 CE LYS A 16 1.761 27.307 46.008 1.00 42.58 C ATOM 230 NZ LYS A 16 1.087 28.272 45.096 1.00 44.04 N ATOM 231 HA LYS A 16 1.609 23.944 41.966 1.00 0.00 H ATOM 232 HB2 LYS A 16 3.535 24.018 44.312 1.00 0.00 H ATOM 233 HB3 LYS A 16 3.521 25.196 42.979 1.00 0.00 H ATOM 234 HG2 LYS A 16 1.304 25.958 43.655 1.00 0.00 H ATOM 235 HG3 LYS A 16 1.276 24.754 44.964 1.00 0.00 H ATOM 236 HD2 LYS A 16 3.251 25.776 45.984 1.00 0.00 H ATOM 237 HD3 LYS A 16 3.364 26.941 44.644 1.00 0.00 H ATOM 238 HE2 LYS A 16 2.351 27.864 46.736 1.00 0.00 H ATOM 239 HE3 LYS A 16 1.000 26.725 46.528 1.00 0.00 H ATOM 240 HZ1 LYS A 16 1.805 28.838 44.600 1.00 0.00 H ATOM 241 HZ2 LYS A 16 0.515 27.750 44.402 1.00 0.00 H ATOM 242 HZ3 LYS A 16 0.471 28.900 45.651 1.00 0.00 H ATOM 243 H LYS A 16 2.063 21.975 44.200 1.00 0.00 H ATOM 244 N LEU A 17 3.797 23.332 40.727 1.00 36.08 N ATOM 245 CA LEU A 17 4.916 22.798 39.953 1.00 35.76 C ATOM 246 C LEU A 17 6.168 23.349 40.633 1.00 34.52 C ATOM 247 O LEU A 17 6.270 24.556 40.842 1.00 33.90 O ATOM 248 CB LEU A 17 4.845 23.289 38.503 1.00 37.83 C ATOM 249 CG LEU A 17 3.807 22.670 37.556 1.00 38.25 C ATOM 250 CD1 LEU A 17 4.160 21.212 37.299 1.00 38.77 C ATOM 251 CD2 LEU A 17 2.415 22.792 38.147 1.00 39.45 C ATOM 252 HA LEU A 17 4.908 21.708 39.923 1.00 0.00 H ATOM 253 HB2 LEU A 17 4.647 24.360 38.538 1.00 0.00 H ATOM 254 HB3 LEU A 17 5.825 23.116 38.059 1.00 0.00 H ATOM 255 HG LEU A 17 3.818 23.207 36.608 1.00 0.00 H ATOM 256 HD21 LEU A 17 2.381 22.270 39.103 1.00 0.00 H ATOM 257 HD22 LEU A 17 2.177 23.845 38.298 1.00 0.00 H ATOM 258 HD23 LEU A 17 1.691 22.348 37.463 1.00 0.00 H ATOM 259 HD11 LEU A 17 5.149 21.154 36.844 1.00 0.00 H ATOM 260 HD12 LEU A 17 4.161 20.668 38.243 1.00 0.00 H ATOM 261 HD13 LEU A 17 3.422 20.774 36.627 1.00 0.00 H ATOM 262 H LEU A 17 3.256 24.138 40.354 1.00 0.00 H ATOM 263 N ALA A 18 7.110 22.480 40.992 1.00 32.78 N ATOM 264 CA ALA A 18 8.315 22.939 41.672 1.00 32.13 C ATOM 265 C ALA A 18 8.975 24.091 40.926 1.00 32.95 C ATOM 266 O ALA A 18 9.450 25.049 41.537 1.00 31.34 O ATOM 267 CB ALA A 18 9.279 21.798 41.852 1.00 32.16 C ATOM 268 HA ALA A 18 8.024 23.311 42.654 1.00 0.00 H ATOM 269 HB1 ALA A 18 8.808 21.017 42.449 1.00 0.00 H ATOM 270 HB2 ALA A 18 9.551 21.397 40.876 1.00 0.00 H ATOM 271 HB3 ALA A 18 10.174 22.157 42.361 1.00 0.00 H ATOM 272 H ALA A 18 6.986 21.468 40.786 1.00 0.00 H ATOM 273 N ILE A 19 9.005 23.993 39.603 1.00 33.21 N ATOM 274 CA ILE A 19 9.549 25.049 38.763 1.00 37.40 C ATOM 275 C ILE A 19 8.287 25.564 38.084 1.00 40.17 C ATOM 276 O ILE A 19 7.542 24.778 37.493 1.00 42.93 O ATOM 277 CB ILE A 19 10.537 24.491 37.705 1.00 37.00 C ATOM 278 CG1 ILE A 19 11.712 23.801 38.405 1.00 37.95 C ATOM 279 CG2 ILE A 19 11.056 25.616 36.822 1.00 36.05 C ATOM 280 CD1 ILE A 19 12.665 23.061 37.482 1.00 38.34 C ATOM 281 HA ILE A 19 10.116 25.798 39.315 1.00 0.00 H ATOM 282 HB ILE A 19 10.011 23.767 37.082 1.00 0.00 H ATOM 283 HG12 ILE A 19 12.281 24.561 38.940 1.00 0.00 H ATOM 284 HG13 ILE A 19 11.307 23.084 39.119 1.00 0.00 H ATOM 285 HD11 ILE A 19 12.120 22.284 36.946 1.00 0.00 H ATOM 286 HD12 ILE A 19 13.095 23.763 36.768 1.00 0.00 H ATOM 287 HD13 ILE A 19 13.461 22.607 38.072 1.00 0.00 H ATOM 288 HG21 ILE A 19 10.218 26.092 36.312 1.00 0.00 H ATOM 289 HG22 ILE A 19 11.572 26.352 37.439 1.00 0.00 H ATOM 290 HG23 ILE A 19 11.748 25.208 36.085 1.00 0.00 H ATOM 291 H ILE A 19 8.628 23.135 39.153 1.00 0.00 H ATOM 292 N PRO A 20 8.024 26.884 38.145 1.00 41.20 N ATOM 293 CA PRO A 20 8.776 27.976 38.777 1.00 39.94 C ATOM 294 C PRO A 20 8.366 28.386 40.200 1.00 38.99 C ATOM 295 O PRO A 20 8.916 29.343 40.743 1.00 35.99 O ATOM 296 CB PRO A 20 8.550 29.119 37.802 1.00 41.67 C ATOM 297 CG PRO A 20 7.085 28.942 37.488 1.00 40.98 C ATOM 298 CD PRO A 20 6.934 27.431 37.310 1.00 41.01 C ATOM 299 HA PRO A 20 9.809 27.669 38.940 1.00 0.00 H ATOM 300 HD3 PRO A 20 5.961 27.090 37.664 1.00 0.00 H ATOM 301 HD2 PRO A 20 7.060 27.145 36.266 1.00 0.00 H ATOM 302 HG3 PRO A 20 6.816 29.470 36.573 1.00 0.00 H ATOM 303 HG2 PRO A 20 6.465 29.301 38.309 1.00 0.00 H ATOM 304 HB2 PRO A 20 8.747 30.086 38.265 1.00 0.00 H ATOM 305 HB3 PRO A 20 9.167 29.013 36.910 1.00 0.00 H ATOM 306 N SER A 21 7.416 27.677 40.805 1.00 36.59 N ATOM 307 CA SER A 21 6.950 28.033 42.149 1.00 36.12 C ATOM 308 C SER A 21 8.003 28.047 43.262 1.00 33.68 C ATOM 309 O SER A 21 8.010 28.953 44.097 1.00 32.27 O ATOM 310 CB SER A 21 5.795 27.113 42.569 1.00 37.77 C ATOM 311 OG SER A 21 4.654 27.318 41.753 1.00 40.15 O ATOM 312 HA SER A 21 6.635 29.071 42.045 1.00 0.00 H ATOM 313 HB2 SER A 21 5.533 27.322 43.606 1.00 0.00 H ATOM 314 HB3 SER A 21 6.116 26.075 42.478 1.00 0.00 H ATOM 315 HG SER A 21 4.356 28.258 41.835 1.00 0.00 H ATOM 316 H SER A 21 6.998 26.859 40.318 1.00 0.00 H ATOM 317 N TYR A 22 8.881 27.049 43.284 1.00 30.81 N ATOM 318 CA TYR A 22 9.910 26.959 44.322 1.00 30.17 C ATOM 319 C TYR A 22 11.347 27.003 43.803 1.00 31.55 C ATOM 320 O TYR A 22 12.270 26.615 44.523 1.00 34.08 O ATOM 321 CB TYR A 22 9.733 25.658 45.109 1.00 27.43 C ATOM 322 CG TYR A 22 8.457 25.579 45.907 1.00 26.49 C ATOM 323 CD1 TYR A 22 8.362 26.174 47.167 1.00 23.45 C ATOM 324 CD2 TYR A 22 7.340 24.909 45.405 1.00 26.27 C ATOM 325 CE1 TYR A 22 7.188 26.104 47.907 1.00 23.04 C ATOM 326 CE2 TYR A 22 6.152 24.833 46.143 1.00 26.30 C ATOM 327 CZ TYR A 22 6.086 25.434 47.391 1.00 25.60 C ATOM 328 OH TYR A 22 4.913 25.381 48.119 1.00 27.29 O ATOM 329 HA TYR A 22 9.768 27.843 44.944 1.00 0.00 H ATOM 330 HB3 TYR A 22 10.572 25.559 45.798 1.00 0.00 H ATOM 331 HB2 TYR A 22 9.745 24.828 44.402 1.00 0.00 H ATOM 332 HD2 TYR A 22 7.393 24.438 44.424 1.00 0.00 H ATOM 333 HE2 TYR A 22 5.287 24.306 45.740 1.00 0.00 H ATOM 334 HE1 TYR A 22 7.132 26.573 48.889 1.00 0.00 H ATOM 335 HD1 TYR A 22 9.223 26.702 47.577 1.00 0.00 H ATOM 336 HH TYR A 22 5.038 25.856 48.979 1.00 0.00 H ATOM 337 H TYR A 22 8.836 26.316 42.548 1.00 0.00 H ATOM 338 N SER A 23 11.551 27.465 42.573 1.00 30.88 N ATOM 339 CA SER A 23 12.900 27.493 42.012 1.00 30.69 C ATOM 340 C SER A 23 13.638 28.831 42.100 1.00 30.54 C ATOM 341 O SER A 23 14.825 28.904 41.789 1.00 32.29 O ATOM 342 CB SER A 23 12.871 26.993 40.559 1.00 30.26 C ATOM 343 OG SER A 23 11.923 27.706 39.779 1.00 31.74 O ATOM 344 HA SER A 23 13.480 26.825 42.648 1.00 0.00 H ATOM 345 HB2 SER A 23 12.609 25.935 40.554 1.00 0.00 H ATOM 346 HB3 SER A 23 13.860 27.123 40.120 1.00 0.00 H ATOM 347 HG SER A 23 12.158 28.668 39.774 1.00 0.00 H ATOM 348 H SER A 23 10.748 27.808 42.008 1.00 0.00 H ATOM 349 N SER A 24 12.951 29.882 42.531 1.00 30.96 N ATOM 350 CA SER A 24 13.581 31.198 42.660 1.00 31.81 C ATOM 351 C SER A 24 13.035 31.852 43.916 1.00 30.38 C ATOM 352 O SER A 24 13.026 33.079 44.041 1.00 31.55 O ATOM 353 CB SER A 24 13.235 32.071 41.454 1.00 32.31 C ATOM 354 OG SER A 24 11.845 32.366 41.442 1.00 36.08 O ATOM 355 HA SER A 24 14.664 31.088 42.713 1.00 0.00 H ATOM 356 HB2 SER A 24 13.498 31.541 40.539 1.00 0.00 H ATOM 357 HB3 SER A 24 13.800 33.001 41.509 1.00 0.00 H ATOM 358 HG SER A 24 11.330 31.522 41.389 1.00 0.00 H ATOM 359 H SER A 24 11.948 29.769 42.781 1.00 0.00 H ATOM 360 N TYR A 25 12.584 31.014 44.844 1.00 27.77 N ATOM 361 CA TYR A 25 11.982 31.475 46.082 1.00 27.26 C ATOM 362 C TYR A 25 12.952 31.782 47.221 1.00 27.04 C ATOM 363 O TYR A 25 13.784 30.955 47.603 1.00 25.33 O ATOM 364 CB TYR A 25 10.947 30.446 46.541 1.00 26.12 C ATOM 365 CG TYR A 25 10.000 30.955 47.600 1.00 27.22 C ATOM 366 CD1 TYR A 25 10.403 31.094 48.929 1.00 26.14 C ATOM 367 CD2 TYR A 25 8.690 31.300 47.271 1.00 26.55 C ATOM 368 CE1 TYR A 25 9.515 31.564 49.909 1.00 24.43 C ATOM 369 CE2 TYR A 25 7.800 31.767 48.237 1.00 26.84 C ATOM 370 CZ TYR A 25 8.215 31.895 49.550 1.00 26.75 C ATOM 371 OH TYR A 25 7.316 32.336 50.497 1.00 26.56 O ATOM 372 HA TYR A 25 11.527 32.437 45.847 1.00 0.00 H ATOM 373 HB3 TYR A 25 11.477 29.582 46.942 1.00 0.00 H ATOM 374 HB2 TYR A 25 10.360 30.140 45.675 1.00 0.00 H ATOM 375 HD2 TYR A 25 8.355 31.203 46.238 1.00 0.00 H ATOM 376 HE2 TYR A 25 6.780 32.031 47.958 1.00 0.00 H ATOM 377 HE1 TYR A 25 9.843 31.668 50.943 1.00 0.00 H ATOM 378 HD1 TYR A 25 11.423 30.833 49.210 1.00 0.00 H ATOM 379 HH TYR A 25 7.761 32.374 51.380 1.00 0.00 H ATOM 380 H TYR A 25 12.665 29.991 44.677 1.00 0.00 H ATOM 381 N GLY A 26 12.827 32.988 47.761 1.00 26.32 N ATOM 382 CA GLY A 26 13.672 33.399 48.864 1.00 26.95 C ATOM 383 C GLY A 26 15.161 33.285 48.604 1.00 26.51 C ATOM 384 O GLY A 26 15.628 33.371 47.467 1.00 23.80 O ATOM 385 HA3 GLY A 26 13.430 32.778 49.726 1.00 0.00 H ATOM 386 HA2 GLY A 26 13.447 34.440 49.094 1.00 0.00 H ATOM 387 H GLY A 26 12.114 33.646 47.388 1.00 0.00 H ATOM 388 N CYS A 27 15.906 33.085 49.683 1.00 27.29 N ATOM 389 CA CYS A 27 17.357 32.978 49.620 1.00 28.17 C ATOM 390 C CYS A 27 17.886 31.568 49.398 1.00 27.87 C ATOM 391 O CYS A 27 18.996 31.390 48.880 1.00 28.51 O ATOM 392 CB CYS A 27 17.971 33.521 50.917 1.00 27.65 C ATOM 393 SG CYS A 27 17.770 35.308 51.175 1.00 26.82 S ATOM 394 HA CYS A 27 17.649 33.564 48.748 1.00 0.00 H ATOM 395 HB2 CYS A 27 19.038 33.299 50.905 1.00 0.00 H ATOM 396 HB3 CYS A 27 17.503 33.004 51.755 1.00 0.00 H ATOM 397 H CYS A 27 15.437 33.002 50.607 1.00 0.00 H ATOM 398 N TYR A 28 17.102 30.562 49.777 1.00 27.01 N ATOM 399 CA TYR A 28 17.576 29.185 49.658 1.00 27.26 C ATOM 400 C TYR A 28 16.880 28.240 48.693 1.00 27.19 C ATOM 401 O TYR A 28 17.382 27.145 48.455 1.00 25.56 O ATOM 402 CB TYR A 28 17.616 28.536 51.047 1.00 28.59 C ATOM 403 CG TYR A 28 18.636 29.166 51.967 1.00 29.63 C ATOM 404 CD1 TYR A 28 18.326 30.304 52.709 1.00 28.43 C ATOM 405 CD2 TYR A 28 19.933 28.658 52.046 1.00 30.18 C ATOM 406 CE1 TYR A 28 19.284 30.926 53.504 1.00 28.13 C ATOM 407 CE2 TYR A 28 20.896 29.270 52.837 1.00 33.07 C ATOM 408 CZ TYR A 28 20.564 30.405 53.562 1.00 32.16 C ATOM 409 OH TYR A 28 21.516 31.009 54.346 1.00 33.50 O ATOM 410 HA TYR A 28 18.557 29.318 49.202 1.00 0.00 H ATOM 411 HB3 TYR A 28 17.860 27.480 50.930 1.00 0.00 H ATOM 412 HB2 TYR A 28 16.631 28.632 51.503 1.00 0.00 H ATOM 413 HD2 TYR A 28 20.195 27.766 51.477 1.00 0.00 H ATOM 414 HE2 TYR A 28 21.905 28.862 52.888 1.00 0.00 H ATOM 415 HE1 TYR A 28 19.028 31.817 54.077 1.00 0.00 H ATOM 416 HD1 TYR A 28 17.317 30.714 52.666 1.00 0.00 H ATOM 417 HH TYR A 28 21.121 31.799 54.793 1.00 0.00 H ATOM 418 H TYR A 28 16.154 30.755 50.157 1.00 0.00 H ATOM 419 N CYS A 29 15.736 28.643 48.146 1.00 28.75 N ATOM 420 CA CYS A 29 15.022 27.794 47.193 1.00 31.52 C ATOM 421 C CYS A 29 15.501 28.140 45.787 1.00 34.77 C ATOM 422 O CYS A 29 14.823 28.837 45.028 1.00 38.01 O ATOM 423 CB CYS A 29 13.510 28.005 47.287 1.00 27.23 C ATOM 424 SG CYS A 29 12.751 27.621 48.897 1.00 26.67 S ATOM 425 HA CYS A 29 15.228 26.749 47.424 1.00 0.00 H ATOM 426 HB2 CYS A 29 13.037 27.373 46.535 1.00 0.00 H ATOM 427 HB3 CYS A 29 13.304 29.051 47.062 1.00 0.00 H ATOM 428 H CYS A 29 15.345 29.573 48.399 1.00 0.00 H ATOM 429 N GLY A 30 16.686 27.648 45.459 1.00 37.43 N ATOM 430 CA GLY A 30 17.287 27.903 44.165 1.00 41.64 C ATOM 431 C GLY A 30 18.713 27.403 44.272 1.00 44.20 C ATOM 432 O GLY A 30 18.955 26.394 44.935 1.00 44.57 O ATOM 433 HA3 GLY A 30 17.273 28.970 43.942 1.00 0.00 H ATOM 434 HA2 GLY A 30 16.752 27.363 43.384 1.00 0.00 H ATOM 435 H GLY A 30 17.199 27.063 46.149 1.00 0.00 H ATOM 436 N TRP A 31 19.659 28.096 43.647 1.00 46.75 N ATOM 437 CA TRP A 31 21.054 27.675 43.714 1.00 50.61 C ATOM 438 C TRP A 31 21.792 28.414 44.826 1.00 51.76 C ATOM 439 O TRP A 31 22.777 27.912 45.370 1.00 53.29 O ATOM 440 CB TRP A 31 21.762 27.919 42.375 1.00 52.88 C ATOM 441 CG TRP A 31 21.081 27.283 41.191 1.00 56.99 C ATOM 442 CD1 TRP A 31 20.103 27.837 40.413 1.00 57.64 C ATOM 443 CD2 TRP A 31 21.319 25.969 40.656 1.00 59.02 C ATOM 444 NE1 TRP A 31 19.720 26.956 39.429 1.00 58.71 N ATOM 445 CE2 TRP A 31 20.448 25.802 39.554 1.00 59.39 C ATOM 446 CE3 TRP A 31 22.183 24.919 41.001 1.00 60.42 C ATOM 447 CZ2 TRP A 31 20.416 24.627 38.791 1.00 59.14 C ATOM 448 CZ3 TRP A 31 22.151 23.746 40.239 1.00 60.87 C ATOM 449 CH2 TRP A 31 21.271 23.614 39.148 1.00 60.04 C ATOM 450 HA TRP A 31 21.067 26.607 43.931 1.00 0.00 H ATOM 451 HB2 TRP A 31 21.810 28.995 42.205 1.00 0.00 H ATOM 452 HB3 TRP A 31 22.773 27.518 42.444 1.00 0.00 H ATOM 453 HE1 TRP A 31 18.994 27.137 38.706 1.00 0.00 H ATOM 454 HD1 TRP A 31 19.686 28.834 40.553 1.00 0.00 H ATOM 455 HZ2 TRP A 31 19.737 24.521 37.945 1.00 0.00 H ATOM 456 HH2 TRP A 31 21.268 22.687 38.574 1.00 0.00 H ATOM 457 HZ3 TRP A 31 22.817 22.922 40.494 1.00 0.00 H ATOM 458 HE3 TRP A 31 22.865 25.015 41.846 1.00 0.00 H ATOM 459 H TRP A 31 19.403 28.946 43.105 1.00 0.00 H ATOM 460 N GLY A 32 21.302 29.603 45.166 1.00 52.18 N ATOM 461 CA GLY A 32 21.927 30.399 46.209 1.00 51.45 C ATOM 462 C GLY A 32 22.175 29.650 47.507 1.00 50.63 C ATOM 463 O GLY A 32 21.606 28.583 47.747 1.00 50.13 O ATOM 464 HA3 GLY A 32 21.279 31.249 46.424 1.00 0.00 H ATOM 465 HA2 GLY A 32 22.885 30.760 45.835 1.00 0.00 H ATOM 466 H GLY A 32 20.459 29.968 44.678 1.00 0.00 H ATOM 467 N GLY A 33 23.026 30.214 48.357 1.00 49.04 N ATOM 468 CA GLY A 33 23.320 29.560 49.613 1.00 47.30 C ATOM 469 C GLY A 33 23.754 30.468 50.742 1.00 45.58 C ATOM 470 O GLY A 33 24.792 30.230 51.360 1.00 47.76 O ATOM 471 HA3 GLY A 33 24.119 28.840 49.436 1.00 0.00 H ATOM 472 HA2 GLY A 33 22.422 29.033 49.934 1.00 0.00 H ATOM 473 H GLY A 33 23.478 31.120 48.121 1.00 0.00 H ATOM 474 N LYS A 34 22.981 31.511 51.024 1.00 44.01 N ATOM 475 CA LYS A 34 23.342 32.398 52.121 1.00 41.85 C ATOM 476 C LYS A 34 22.276 33.377 52.575 1.00 39.18 C ATOM 477 O LYS A 34 21.268 33.586 51.901 1.00 37.98 O ATOM 478 CB LYS A 34 24.638 33.154 51.798 1.00 45.30 C ATOM 479 CG LYS A 34 24.790 33.601 50.363 1.00 48.70 C ATOM 480 CD LYS A 34 26.143 33.147 49.821 1.00 52.51 C ATOM 481 CE LYS A 34 26.304 33.469 48.342 1.00 55.71 C ATOM 482 NZ LYS A 34 27.512 32.816 47.750 1.00 55.36 N ATOM 483 HA LYS A 34 23.477 31.724 52.967 1.00 0.00 H ATOM 484 HB2 LYS A 34 24.677 34.040 52.432 1.00 0.00 H ATOM 485 HB3 LYS A 34 25.477 32.500 52.037 1.00 0.00 H ATOM 486 HG2 LYS A 34 23.993 33.164 49.761 1.00 0.00 H ATOM 487 HG3 LYS A 34 24.726 34.688 50.313 1.00 0.00 H ATOM 488 HD2 LYS A 34 26.932 33.651 50.379 1.00 0.00 H ATOM 489 HD3 LYS A 34 26.234 32.069 49.958 1.00 0.00 H ATOM 490 HE2 LYS A 34 26.396 34.549 48.225 1.00 0.00 H ATOM 491 HE3 LYS A 34 25.420 33.121 47.808 1.00 0.00 H ATOM 492 HZ1 LYS A 34 28.363 33.147 48.248 1.00 0.00 H ATOM 493 HZ2 LYS A 34 27.431 31.784 47.850 1.00 0.00 H ATOM 494 HZ3 LYS A 34 27.580 33.064 46.742 1.00 0.00 H ATOM 495 H LYS A 34 22.123 31.693 50.465 1.00 0.00 H ATOM 496 N GLY A 35 22.515 33.962 53.745 1.00 35.31 N ATOM 497 CA GLY A 35 21.596 34.923 54.311 1.00 34.94 C ATOM 498 C GLY A 35 20.582 34.251 55.207 1.00 34.68 C ATOM 499 O GLY A 35 20.558 33.028 55.325 1.00 32.23 O ATOM 500 HA3 GLY A 35 21.073 35.433 53.502 1.00 0.00 H ATOM 501 HA2 GLY A 35 22.159 35.652 54.895 1.00 0.00 H ATOM 502 H GLY A 35 23.383 33.722 54.265 1.00 0.00 H ATOM 503 N THR A 36 19.739 35.054 55.838 1.00 34.26 N ATOM 504 CA THR A 36 18.709 34.525 56.717 1.00 36.38 C ATOM 505 C THR A 36 17.486 34.121 55.893 1.00 35.37 C ATOM 506 O THR A 36 16.963 34.916 55.111 1.00 34.65 O ATOM 507 CB THR A 36 18.293 35.579 57.764 1.00 36.71 C ATOM 508 OG1 THR A 36 19.417 35.887 58.599 1.00 38.98 O ATOM 509 CG2 THR A 36 17.150 35.063 58.622 1.00 37.73 C ATOM 510 HA THR A 36 19.111 33.654 57.234 1.00 0.00 H ATOM 511 HB THR A 36 17.958 36.476 57.244 1.00 0.00 H ATOM 512 HG1 THR A 36 19.720 35.064 59.059 1.00 0.00 H ATOM 513 HG23 THR A 36 16.296 34.829 57.986 1.00 0.00 H ATOM 514 HG21 THR A 36 17.470 34.163 59.148 1.00 0.00 H ATOM 515 HG22 THR A 36 16.867 35.827 59.346 1.00 0.00 H ATOM 516 H THR A 36 19.815 36.082 55.702 1.00 0.00 H ATOM 517 N PRO A 37 17.031 32.867 56.033 1.00 33.64 N ATOM 518 CA PRO A 37 15.856 32.438 55.268 1.00 34.11 C ATOM 519 C PRO A 37 14.730 33.460 55.480 1.00 32.67 C ATOM 520 O PRO A 37 14.540 33.954 56.589 1.00 32.34 O ATOM 521 CB PRO A 37 15.544 31.070 55.867 1.00 33.11 C ATOM 522 CG PRO A 37 16.922 30.545 56.200 1.00 33.03 C ATOM 523 CD PRO A 37 17.584 31.755 56.828 1.00 34.18 C ATOM 524 HA PRO A 37 15.996 32.375 54.189 1.00 0.00 H ATOM 525 HD3 PRO A 37 17.315 31.850 57.880 1.00 0.00 H ATOM 526 HD2 PRO A 37 18.669 31.704 56.734 1.00 0.00 H ATOM 527 HG3 PRO A 37 17.451 30.226 55.302 1.00 0.00 H ATOM 528 HG2 PRO A 37 16.869 29.714 56.903 1.00 0.00 H ATOM 529 HB2 PRO A 37 14.929 31.161 56.762 1.00 0.00 H ATOM 530 HB3 PRO A 37 15.040 30.428 55.145 1.00 0.00 H ATOM 531 N LYS A 38 13.997 33.775 54.419 1.00 31.52 N ATOM 532 CA LYS A 38 12.929 34.765 54.485 1.00 30.44 C ATOM 533 C LYS A 38 11.694 34.370 55.293 1.00 31.05 C ATOM 534 O LYS A 38 11.105 35.205 55.979 1.00 31.77 O ATOM 535 CB LYS A 38 12.508 35.152 53.070 1.00 31.57 C ATOM 536 CG LYS A 38 13.653 35.641 52.189 1.00 34.53 C ATOM 537 CD LYS A 38 14.433 36.780 52.832 1.00 35.58 C ATOM 538 CE LYS A 38 13.555 38.000 53.078 1.00 38.03 C ATOM 539 NZ LYS A 38 14.322 39.129 53.683 1.00 38.36 N ATOM 540 HA LYS A 38 13.361 35.605 55.030 1.00 0.00 H ATOM 541 HB2 LYS A 38 12.060 34.279 52.595 1.00 0.00 H ATOM 542 HB3 LYS A 38 11.766 35.947 53.139 1.00 0.00 H ATOM 543 HG2 LYS A 38 14.334 34.810 52.005 1.00 0.00 H ATOM 544 HG3 LYS A 38 13.242 35.989 51.241 1.00 0.00 H ATOM 545 HD2 LYS A 38 14.836 36.438 53.785 1.00 0.00 H ATOM 546 HD3 LYS A 38 15.253 37.063 52.172 1.00 0.00 H ATOM 547 HE2 LYS A 38 12.747 37.721 53.754 1.00 0.00 H ATOM 548 HE3 LYS A 38 13.135 38.329 52.127 1.00 0.00 H ATOM 549 HZ1 LYS A 38 14.721 38.826 54.595 1.00 0.00 H ATOM 550 HZ2 LYS A 38 15.092 39.407 53.041 1.00 0.00 H ATOM 551 HZ3 LYS A 38 13.686 39.938 53.833 1.00 0.00 H ATOM 552 H LYS A 38 14.190 33.301 53.514 1.00 0.00 H ATOM 553 N ASP A 39 11.290 33.108 55.202 1.00 29.05 N ATOM 554 CA ASP A 39 10.120 32.628 55.932 1.00 27.78 C ATOM 555 C ASP A 39 10.193 31.121 56.135 1.00 26.46 C ATOM 556 O ASP A 39 11.245 30.521 55.922 1.00 24.60 O ATOM 557 CB ASP A 39 8.830 32.999 55.186 1.00 26.26 C ATOM 558 CG ASP A 39 8.800 32.479 53.758 1.00 28.55 C ATOM 559 OD1 ASP A 39 9.729 31.747 53.355 1.00 26.54 O ATOM 560 OD2 ASP A 39 7.835 32.804 53.035 1.00 27.60 O ATOM 561 HA ASP A 39 10.109 33.109 56.910 1.00 0.00 H ATOM 562 HB2 ASP A 39 7.982 32.579 55.727 1.00 0.00 H ATOM 563 HB3 ASP A 39 8.742 34.085 55.162 1.00 0.00 H ATOM 564 H ASP A 39 11.819 32.447 54.597 1.00 0.00 H ATOM 565 N ALA A 40 9.078 30.514 56.539 1.00 26.84 N ATOM 566 CA ALA A 40 9.024 29.073 56.779 1.00 26.03 C ATOM 567 C ALA A 40 9.336 28.243 55.538 1.00 26.10 C ATOM 568 O ALA A 40 10.044 27.240 55.621 1.00 27.43 O ATOM 569 CB ALA A 40 7.656 28.682 57.329 1.00 25.51 C ATOM 570 HA ALA A 40 9.801 28.853 57.511 1.00 0.00 H ATOM 571 HB1 ALA A 40 7.479 29.208 58.267 1.00 0.00 H ATOM 572 HB2 ALA A 40 6.885 28.954 56.608 1.00 0.00 H ATOM 573 HB3 ALA A 40 7.630 27.606 57.503 1.00 0.00 H ATOM 574 H ALA A 40 8.220 31.083 56.688 1.00 0.00 H ATOM 575 N THR A 41 8.795 28.648 54.394 1.00 23.89 N ATOM 576 CA THR A 41 9.037 27.927 53.149 1.00 23.96 C ATOM 577 C THR A 41 10.522 27.983 52.811 1.00 24.54 C ATOM 578 O THR A 41 11.124 26.975 52.426 1.00 23.56 O ATOM 579 CB THR A 41 8.223 28.536 51.984 1.00 22.91 C ATOM 580 OG1 THR A 41 6.829 28.283 52.196 1.00 22.72 O ATOM 581 CG2 THR A 41 8.647 27.927 50.661 1.00 22.70 C ATOM 582 HA THR A 41 8.722 26.893 53.285 1.00 0.00 H ATOM 583 HB THR A 41 8.408 29.610 51.952 1.00 0.00 H ATOM 584 HG1 THR A 41 6.546 28.696 53.050 1.00 0.00 H ATOM 585 HG23 THR A 41 9.708 28.118 50.498 1.00 0.00 H ATOM 586 HG21 THR A 41 8.470 26.852 50.684 1.00 0.00 H ATOM 587 HG22 THR A 41 8.067 28.375 49.854 1.00 0.00 H ATOM 588 H THR A 41 8.189 29.493 54.386 1.00 0.00 H ATOM 589 N ASP A 42 11.111 29.165 52.974 1.00 24.03 N ATOM 590 CA ASP A 42 12.527 29.362 52.691 1.00 24.05 C ATOM 591 C ASP A 42 13.383 28.512 53.638 1.00 23.58 C ATOM 592 O ASP A 42 14.428 27.995 53.243 1.00 23.21 O ATOM 593 CB ASP A 42 12.882 30.845 52.826 1.00 23.68 C ATOM 594 CG ASP A 42 14.148 31.215 52.078 1.00 24.40 C ATOM 595 OD1 ASP A 42 14.594 30.418 51.223 1.00 24.10 O ATOM 596 OD2 ASP A 42 14.693 32.313 52.333 1.00 24.46 O ATOM 597 HA ASP A 42 12.733 29.045 51.669 1.00 0.00 H ATOM 598 HB2 ASP A 42 12.057 31.438 52.431 1.00 0.00 H ATOM 599 HB3 ASP A 42 13.021 31.076 53.882 1.00 0.00 H ATOM 600 H ASP A 42 10.546 29.970 53.312 1.00 0.00 H ATOM 601 N ARG A 43 12.943 28.366 54.885 1.00 24.80 N ATOM 602 CA ARG A 43 13.683 27.546 55.836 1.00 24.97 C ATOM 603 C ARG A 43 13.609 26.088 55.395 1.00 23.62 C ATOM 604 O ARG A 43 14.529 25.311 55.654 1.00 25.46 O ATOM 605 CB ARG A 43 13.132 27.705 57.261 1.00 25.52 C ATOM 606 CG ARG A 43 13.574 29.004 57.944 1.00 29.95 C ATOM 607 CD ARG A 43 13.306 28.986 59.448 1.00 28.95 C ATOM 608 NE ARG A 43 11.881 28.938 59.758 1.00 32.07 N ATOM 609 CZ ARG A 43 11.064 29.989 59.736 1.00 32.85 C ATOM 610 NH1 ARG A 43 11.526 31.194 59.418 1.00 31.68 N ATOM 611 NH2 ARG A 43 9.777 29.833 60.030 1.00 31.96 N ATOM 612 HA ARG A 43 14.722 27.875 55.852 1.00 0.00 H ATOM 613 HB2 ARG A 43 12.043 27.692 57.214 1.00 0.00 H ATOM 614 HB3 ARG A 43 13.478 26.864 57.861 1.00 0.00 H ATOM 615 HG2 ARG A 43 14.643 29.141 57.779 1.00 0.00 H ATOM 616 HG3 ARG A 43 13.029 29.837 57.500 1.00 0.00 H ATOM 617 HD2 ARG A 43 13.731 29.887 59.890 1.00 0.00 H ATOM 618 HD3 ARG A 43 13.788 28.109 59.879 1.00 0.00 H ATOM 619 HE ARG A 43 11.474 28.016 60.015 1.00 0.00 H ATOM 620 HH12 ARG A 43 10.882 32.010 59.403 1.00 0.00 H ATOM 621 HH11 ARG A 43 12.531 31.320 59.184 1.00 0.00 H ATOM 622 HH22 ARG A 43 9.137 30.652 60.014 1.00 0.00 H ATOM 623 HH21 ARG A 43 9.410 28.892 60.276 1.00 0.00 H ATOM 624 H ARG A 43 12.066 28.840 55.183 1.00 0.00 H ATOM 625 N CYS A 44 12.519 25.710 54.730 1.00 22.58 N ATOM 626 CA CYS A 44 12.389 24.334 54.244 1.00 22.78 C ATOM 627 C CYS A 44 13.548 24.045 53.289 1.00 21.66 C ATOM 628 O CYS A 44 14.170 22.969 53.328 1.00 16.91 O ATOM 629 CB CYS A 44 11.081 24.130 53.478 1.00 23.80 C ATOM 630 SG CYS A 44 9.508 24.186 54.397 1.00 24.88 S ATOM 631 HA CYS A 44 12.398 23.665 55.105 1.00 0.00 H ATOM 632 HB2 CYS A 44 11.138 23.152 53.000 1.00 0.00 H ATOM 633 HB3 CYS A 44 11.033 24.905 52.713 1.00 0.00 H ATOM 634 H CYS A 44 11.756 26.395 54.555 1.00 0.00 H ATOM 635 N CYS A 45 13.829 25.009 52.415 1.00 20.54 N ATOM 636 CA CYS A 45 14.918 24.839 51.464 1.00 22.73 C ATOM 637 C CYS A 45 16.258 24.841 52.188 1.00 23.20 C ATOM 638 O CYS A 45 17.163 24.082 51.830 1.00 22.13 O ATOM 639 CB CYS A 45 14.855 25.921 50.366 1.00 23.23 C ATOM 640 SG CYS A 45 13.371 25.727 49.304 1.00 24.72 S ATOM 641 HA CYS A 45 14.811 23.872 50.972 1.00 0.00 H ATOM 642 HB2 CYS A 45 15.747 25.845 49.744 1.00 0.00 H ATOM 643 HB3 CYS A 45 14.825 26.903 50.839 1.00 0.00 H ATOM 644 H CYS A 45 13.269 25.886 52.412 1.00 0.00 H ATOM 645 N PHE A 46 16.379 25.666 53.228 1.00 23.75 N ATOM 646 CA PHE A 46 17.626 25.715 53.996 1.00 24.68 C ATOM 647 C PHE A 46 17.929 24.325 54.551 1.00 22.29 C ATOM 648 O PHE A 46 19.031 23.800 54.385 1.00 21.40 O ATOM 649 CB PHE A 46 17.517 26.696 55.164 1.00 25.52 C ATOM 650 CG PHE A 46 18.752 26.750 56.013 1.00 27.86 C ATOM 651 CD1 PHE A 46 19.878 27.447 55.583 1.00 29.66 C ATOM 652 CD2 PHE A 46 18.810 26.059 57.221 1.00 29.44 C ATOM 653 CE1 PHE A 46 21.053 27.455 56.345 1.00 31.14 C ATOM 654 CE2 PHE A 46 19.977 26.058 57.990 1.00 32.02 C ATOM 655 CZ PHE A 46 21.101 26.758 57.548 1.00 30.79 C ATOM 656 HA PHE A 46 18.423 26.048 53.332 1.00 0.00 H ATOM 657 HB2 PHE A 46 17.329 27.692 54.763 1.00 0.00 H ATOM 658 HB3 PHE A 46 16.679 26.395 55.792 1.00 0.00 H ATOM 659 HD2 PHE A 46 17.934 25.512 57.571 1.00 0.00 H ATOM 660 HE2 PHE A 46 20.009 25.512 58.933 1.00 0.00 H ATOM 661 HZ PHE A 46 22.014 26.758 58.144 1.00 0.00 H ATOM 662 HE1 PHE A 46 21.927 28.005 55.997 1.00 0.00 H ATOM 663 HD1 PHE A 46 19.845 27.994 54.641 1.00 0.00 H ATOM 664 H PHE A 46 15.583 26.279 53.496 1.00 0.00 H ATOM 665 N VAL A 47 16.942 23.744 55.226 1.00 22.89 N ATOM 666 CA VAL A 47 17.076 22.409 55.807 1.00 22.46 C ATOM 667 C VAL A 47 17.383 21.383 54.722 1.00 23.40 C ATOM 668 O VAL A 47 18.155 20.443 54.938 1.00 23.96 O ATOM 669 CB VAL A 47 15.782 21.996 56.536 1.00 22.53 C ATOM 670 CG1 VAL A 47 15.877 20.553 56.995 1.00 23.76 C ATOM 671 CG2 VAL A 47 15.534 22.934 57.724 1.00 25.42 C ATOM 672 HA VAL A 47 17.897 22.440 56.523 1.00 0.00 H ATOM 673 HB VAL A 47 14.940 22.077 55.849 1.00 0.00 H ATOM 674 HG11 VAL A 47 16.021 19.906 56.129 1.00 0.00 H ATOM 675 HG12 VAL A 47 16.721 20.445 57.676 1.00 0.00 H ATOM 676 HG13 VAL A 47 14.956 20.275 57.508 1.00 0.00 H ATOM 677 HG21 VAL A 47 16.374 22.872 58.416 1.00 0.00 H ATOM 678 HG22 VAL A 47 15.434 23.957 57.363 1.00 0.00 H ATOM 679 HG23 VAL A 47 14.618 22.637 58.235 1.00 0.00 H ATOM 680 H VAL A 47 16.045 24.256 55.345 1.00 0.00 H ATOM 681 N HIS A 48 16.776 21.559 53.551 1.00 23.48 N ATOM 682 CA HIS A 48 17.012 20.636 52.448 1.00 23.34 C ATOM 683 C HIS A 48 18.472 20.711 52.005 1.00 24.71 C ATOM 684 O HIS A 48 19.089 19.684 51.721 1.00 25.74 O ATOM 685 CB HIS A 48 16.078 20.950 51.275 1.00 23.60 C ATOM 686 CG HIS A 48 16.058 19.887 50.217 1.00 26.04 C ATOM 687 ND1 HIS A 48 16.635 20.058 48.977 1.00 25.28 N ATOM 688 CD2 HIS A 48 15.539 18.635 50.220 1.00 24.79 C ATOM 689 CE1 HIS A 48 16.474 18.958 48.263 1.00 26.44 C ATOM 690 NE2 HIS A 48 15.812 18.078 48.993 1.00 25.41 N ATOM 691 HA HIS A 48 16.802 19.622 52.789 1.00 0.00 H ATOM 692 HB2 HIS A 48 15.066 21.069 51.663 1.00 0.00 H ATOM 693 HB3 HIS A 48 16.402 21.885 50.818 1.00 0.00 H ATOM 694 HD2 HIS A 48 15.005 18.158 51.042 1.00 0.00 H ATOM 695 HE1 HIS A 48 16.828 18.803 47.244 1.00 0.00 H ATOM 696 H HIS A 48 16.128 22.362 53.422 1.00 0.00 H ATOM 697 N ASP A 49 19.031 21.918 51.955 1.00 26.05 N ATOM 698 CA ASP A 49 20.434 22.074 51.566 1.00 26.34 C ATOM 699 C ASP A 49 21.321 21.381 52.596 1.00 26.63 C ATOM 700 O ASP A 49 22.280 20.690 52.249 1.00 25.84 O ATOM 701 CB ASP A 49 20.834 23.552 51.482 1.00 29.30 C ATOM 702 CG ASP A 49 20.133 24.292 50.351 1.00 34.60 C ATOM 703 OD1 ASP A 49 19.882 23.686 49.289 1.00 34.58 O ATOM 704 OD2 ASP A 49 19.850 25.495 50.522 1.00 38.11 O ATOM 705 HA ASP A 49 20.563 21.626 50.581 1.00 0.00 H ATOM 706 HB2 ASP A 49 20.579 24.036 52.425 1.00 0.00 H ATOM 707 HB3 ASP A 49 21.911 23.613 51.323 1.00 0.00 H ATOM 708 H ASP A 49 18.466 22.758 52.194 1.00 0.00 H ATOM 709 N CYS A 50 20.999 21.569 53.871 1.00 27.67 N ATOM 710 CA CYS A 50 21.772 20.940 54.936 1.00 26.63 C ATOM 711 C CYS A 50 21.741 19.413 54.855 1.00 25.99 C ATOM 712 O CYS A 50 22.745 18.752 55.136 1.00 24.46 O ATOM 713 CB CYS A 50 21.255 21.381 56.302 1.00 25.77 C ATOM 714 SG CYS A 50 21.517 23.141 56.667 1.00 31.58 S ATOM 715 HA CYS A 50 22.805 21.263 54.806 1.00 0.00 H ATOM 716 HB2 CYS A 50 21.765 20.794 57.066 1.00 0.00 H ATOM 717 HB3 CYS A 50 20.185 21.179 56.344 1.00 0.00 H ATOM 718 H CYS A 50 20.186 22.172 54.113 1.00 0.00 H ATOM 719 N CYS A 51 20.585 18.858 54.488 1.00 25.02 N ATOM 720 CA CYS A 51 20.423 17.410 54.366 1.00 24.04 C ATOM 721 C CYS A 51 21.325 16.904 53.223 1.00 26.75 C ATOM 722 O CYS A 51 22.145 16.005 53.425 1.00 27.99 O ATOM 723 CB CYS A 51 18.948 17.087 54.099 1.00 24.33 C ATOM 724 SG CYS A 51 18.369 15.385 54.444 1.00 24.12 S ATOM 725 HA CYS A 51 20.718 16.910 55.288 1.00 0.00 H ATOM 726 HB2 CYS A 51 18.757 17.288 53.045 1.00 0.00 H ATOM 727 HB3 CYS A 51 18.351 17.764 54.711 1.00 0.00 H ATOM 728 H CYS A 51 19.773 19.475 54.282 1.00 0.00 H ATOM 729 N TYR A 52 21.176 17.485 52.033 1.00 26.68 N ATOM 730 CA TYR A 52 22.002 17.124 50.871 1.00 27.05 C ATOM 731 C TYR A 52 23.468 17.370 51.193 1.00 27.82 C ATOM 732 O TYR A 52 24.351 16.668 50.703 1.00 30.28 O ATOM 733 CB TYR A 52 21.652 18.001 49.666 1.00 29.06 C ATOM 734 CG TYR A 52 20.545 17.500 48.767 1.00 28.65 C ATOM 735 CD1 TYR A 52 19.624 16.550 49.205 1.00 28.90 C ATOM 736 CD2 TYR A 52 20.407 18.005 47.475 1.00 28.34 C ATOM 737 CE1 TYR A 52 18.594 16.114 48.374 1.00 27.57 C ATOM 738 CE2 TYR A 52 19.382 17.578 46.640 1.00 28.40 C ATOM 739 CZ TYR A 52 18.481 16.634 47.095 1.00 28.49 C ATOM 740 OH TYR A 52 17.469 16.214 46.269 1.00 27.68 O ATOM 741 HA TYR A 52 21.816 16.075 50.641 1.00 0.00 H ATOM 742 HB3 TYR A 52 22.551 18.104 49.059 1.00 0.00 H ATOM 743 HB2 TYR A 52 21.355 18.980 50.043 1.00 0.00 H ATOM 744 HD2 TYR A 52 21.117 18.749 47.113 1.00 0.00 H ATOM 745 HE2 TYR A 52 19.289 17.985 45.633 1.00 0.00 H ATOM 746 HE1 TYR A 52 17.882 15.369 48.728 1.00 0.00 H ATOM 747 HD1 TYR A 52 19.711 16.142 50.212 1.00 0.00 H ATOM 748 HH TYR A 52 16.916 15.542 46.742 1.00 0.00 H ATOM 749 H TYR A 52 20.449 18.220 51.922 1.00 0.00 H ATOM 750 N GLY A 53 23.719 18.394 52.000 1.00 29.13 N ATOM 751 CA GLY A 53 25.078 18.739 52.373 1.00 31.60 C ATOM 752 C GLY A 53 25.716 17.705 53.278 1.00 32.75 C ATOM 753 O GLY A 53 26.929 17.703 53.480 1.00 33.39 O ATOM 754 HA3 GLY A 53 25.065 19.697 52.893 1.00 0.00 H ATOM 755 HA2 GLY A 53 25.677 18.827 51.467 1.00 0.00 H ATOM 756 H GLY A 53 22.928 18.958 52.371 1.00 0.00 H ATOM 757 N ASN A 54 24.896 16.820 53.825 1.00 32.54 N ATOM 758 CA ASN A 54 25.401 15.789 54.710 1.00 33.39 C ATOM 759 C ASN A 54 25.396 14.429 54.028 1.00 32.47 C ATOM 760 O ASN A 54 25.437 13.389 54.685 1.00 33.04 O ATOM 761 CB ASN A 54 24.591 15.776 56.007 1.00 33.80 C ATOM 762 CG ASN A 54 25.138 16.758 57.040 1.00 36.93 C ATOM 763 OD1 ASN A 54 26.112 16.457 57.736 1.00 35.64 O ATOM 764 ND2 ASN A 54 24.526 17.943 57.129 1.00 33.20 N ATOM 765 HA ASN A 54 26.438 16.014 54.958 1.00 0.00 H ATOM 766 HB2 ASN A 54 23.559 16.044 55.779 1.00 0.00 H ATOM 767 HB3 ASN A 54 24.619 14.771 56.428 1.00 0.00 H ATOM 768 HD22 ASN A 54 23.708 18.153 56.522 1.00 0.00 H ATOM 769 HD21 ASN A 54 24.868 18.655 57.805 1.00 0.00 H ATOM 770 H ASN A 54 23.878 16.865 53.617 1.00 0.00 H ATOM 771 N LEU A 55 25.353 14.459 52.697 1.00 31.17 N ATOM 772 CA LEU A 55 25.394 13.257 51.871 1.00 31.76 C ATOM 773 C LEU A 55 26.617 13.378 50.948 1.00 35.61 C ATOM 774 O LEU A 55 26.495 13.276 49.719 1.00 34.25 O ATOM 775 CB LEU A 55 24.117 13.133 51.027 1.00 29.68 C ATOM 776 CG LEU A 55 22.776 13.058 51.766 1.00 29.92 C ATOM 777 CD1 LEU A 55 21.671 12.773 50.761 1.00 28.44 C ATOM 778 CD2 LEU A 55 22.814 11.961 52.829 1.00 26.36 C ATOM 779 HA LEU A 55 25.463 12.370 52.501 1.00 0.00 H ATOM 780 HB2 LEU A 55 24.077 14.000 50.368 1.00 0.00 H ATOM 781 HB3 LEU A 55 24.210 12.227 50.428 1.00 0.00 H ATOM 782 HG LEU A 55 22.584 14.009 52.263 1.00 0.00 H ATOM 783 HD21 LEU A 55 23.011 11.001 52.352 1.00 0.00 H ATOM 784 HD22 LEU A 55 23.604 12.180 53.547 1.00 0.00 H ATOM 785 HD23 LEU A 55 21.854 11.922 53.344 1.00 0.00 H ATOM 786 HD11 LEU A 55 21.639 13.573 50.021 1.00 0.00 H ATOM 787 HD12 LEU A 55 21.870 11.824 50.263 1.00 0.00 H ATOM 788 HD13 LEU A 55 20.714 12.718 51.281 1.00 0.00 H ATOM 789 H LEU A 55 25.287 15.383 52.224 1.00 0.00 H ATOM 790 N PRO A 56 27.817 13.594 51.534 1.00 38.50 N ATOM 791 CA PRO A 56 29.079 13.740 50.794 1.00 39.63 C ATOM 792 C PRO A 56 29.396 12.567 49.874 1.00 39.67 C ATOM 793 O PRO A 56 29.948 12.743 48.786 1.00 40.34 O ATOM 794 CB PRO A 56 30.124 13.873 51.906 1.00 38.80 C ATOM 795 CG PRO A 56 29.352 14.429 53.046 1.00 40.57 C ATOM 796 CD PRO A 56 28.081 13.636 52.982 1.00 37.84 C ATOM 797 HA PRO A 56 29.044 14.591 50.113 1.00 0.00 H ATOM 798 HD3 PRO A 56 28.218 12.634 53.389 1.00 0.00 H ATOM 799 HD2 PRO A 56 27.274 14.137 53.517 1.00 0.00 H ATOM 800 HG3 PRO A 56 29.161 15.494 52.913 1.00 0.00 H ATOM 801 HG2 PRO A 56 29.871 14.269 53.991 1.00 0.00 H ATOM 802 HB2 PRO A 56 30.548 12.902 52.160 1.00 0.00 H ATOM 803 HB3 PRO A 56 30.924 14.551 51.610 1.00 0.00 H ATOM 804 N ASP A 59 29.053 11.369 50.322 1.00 39.61 N ATOM 805 CA ASP A 59 29.323 10.177 49.543 1.00 40.71 C ATOM 806 C ASP A 59 28.331 9.971 48.403 1.00 40.62 C ATOM 807 O ASP A 59 28.416 8.975 47.688 1.00 40.24 O ATOM 808 CB ASP A 59 29.330 8.947 50.462 1.00 41.19 C ATOM 809 CG ASP A 59 28.011 8.747 51.191 1.00 42.82 C ATOM 810 OD1 ASP A 59 27.550 9.690 51.863 1.00 43.35 O ATOM 811 OD2 ASP A 59 27.434 7.643 51.102 1.00 43.68 O ATOM 812 HA ASP A 59 30.303 10.311 49.085 1.00 0.00 H ATOM 813 HB2 ASP A 59 29.532 8.062 49.858 1.00 0.00 H ATOM 814 HB3 ASP A 59 30.122 9.069 51.201 1.00 0.00 H ATOM 815 H ASP A 59 28.583 11.282 51.246 1.00 0.00 H ATOM 816 N CYS A 61 27.417 10.920 48.208 1.00 39.51 N ATOM 817 CA CYS A 61 26.402 10.783 47.163 1.00 38.95 C ATOM 818 C CYS A 61 26.329 11.885 46.113 1.00 39.16 C ATOM 819 O CYS A 61 27.115 12.828 46.112 1.00 39.43 O ATOM 820 CB CYS A 61 25.020 10.656 47.800 1.00 37.10 C ATOM 821 SG CYS A 61 24.896 9.439 49.141 1.00 37.09 S ATOM 822 HA CYS A 61 26.718 9.890 46.624 1.00 0.00 H ATOM 823 HB2 CYS A 61 24.314 10.372 47.020 1.00 0.00 H ATOM 824 HB3 CYS A 61 24.743 11.631 48.202 1.00 0.00 H ATOM 825 H CYS A 61 27.425 11.770 48.807 1.00 0.00 H ATOM 826 N ASN A 67 25.349 11.736 45.224 1.00 42.64 N ATOM 827 CA ASN A 67 25.071 12.676 44.142 1.00 45.37 C ATOM 828 C ASN A 67 23.570 12.980 44.143 1.00 45.85 C ATOM 829 O ASN A 67 22.824 12.502 43.292 1.00 45.62 O ATOM 830 CB ASN A 67 25.474 12.070 42.794 1.00 48.28 C ATOM 831 CG ASN A 67 26.956 12.194 42.520 1.00 49.30 C ATOM 832 OD1 ASN A 67 27.462 13.290 42.280 1.00 51.25 O ATOM 833 ND2 ASN A 67 27.663 11.072 42.560 1.00 51.00 N ATOM 834 HA ASN A 67 25.644 13.591 44.292 1.00 0.00 H ATOM 835 HB2 ASN A 67 25.206 11.014 42.792 1.00 0.00 H ATOM 836 HB3 ASN A 67 24.928 12.584 42.003 1.00 0.00 H ATOM 837 HD22 ASN A 67 27.192 10.168 42.767 1.00 0.00 H ATOM 838 HD21 ASN A 67 28.688 11.097 42.384 1.00 0.00 H ATOM 839 H ASN A 67 24.742 10.895 45.306 1.00 0.00 H ATOM 840 N PRO A 68 23.115 13.787 45.108 1.00 47.83 N ATOM 841 CA PRO A 68 21.712 14.182 45.270 1.00 49.48 C ATOM 842 C PRO A 68 20.949 14.560 43.998 1.00 51.69 C ATOM 843 O PRO A 68 19.967 13.911 43.636 1.00 52.50 O ATOM 844 CB PRO A 68 21.803 15.349 46.245 1.00 48.29 C ATOM 845 CG PRO A 68 22.940 14.959 47.115 1.00 48.95 C ATOM 846 CD PRO A 68 23.960 14.454 46.115 1.00 47.53 C ATOM 847 HA PRO A 68 21.121 13.333 45.614 1.00 0.00 H ATOM 848 HD3 PRO A 68 24.522 15.278 45.675 1.00 0.00 H ATOM 849 HD2 PRO A 68 24.652 13.750 46.578 1.00 0.00 H ATOM 850 HG3 PRO A 68 22.651 14.174 47.814 1.00 0.00 H ATOM 851 HG2 PRO A 68 23.323 15.815 47.671 1.00 0.00 H ATOM 852 HB2 PRO A 68 22.010 16.283 45.722 1.00 0.00 H ATOM 853 HB3 PRO A 68 20.884 15.452 46.822 1.00 0.00 H ATOM 854 N LYS A 69 21.409 15.608 43.323 1.00 53.78 N ATOM 855 CA LYS A 69 20.749 16.107 42.122 1.00 55.79 C ATOM 856 C LYS A 69 20.704 15.211 40.892 1.00 56.52 C ATOM 857 O LYS A 69 19.904 15.457 39.988 1.00 58.00 O ATOM 858 CB LYS A 69 21.352 17.454 41.717 1.00 57.73 C ATOM 859 CG LYS A 69 21.157 18.567 42.738 1.00 59.70 C ATOM 860 CD LYS A 69 22.395 18.783 43.597 1.00 62.05 C ATOM 861 CE LYS A 69 23.537 19.413 42.800 1.00 62.55 C ATOM 862 NZ LYS A 69 24.032 18.527 41.708 1.00 63.72 N ATOM 863 HA LYS A 69 19.708 16.171 42.439 1.00 0.00 H ATOM 864 HB2 LYS A 69 22.422 17.316 41.564 1.00 0.00 H ATOM 865 HB3 LYS A 69 20.890 17.766 40.780 1.00 0.00 H ATOM 866 HG2 LYS A 69 20.930 19.493 42.209 1.00 0.00 H ATOM 867 HG3 LYS A 69 20.321 18.306 43.386 1.00 0.00 H ATOM 868 HD2 LYS A 69 22.138 19.442 44.427 1.00 0.00 H ATOM 869 HD3 LYS A 69 22.726 17.821 43.988 1.00 0.00 H ATOM 870 HE2 LYS A 69 24.362 19.624 43.480 1.00 0.00 H ATOM 871 HE3 LYS A 69 23.183 20.345 42.360 1.00 0.00 H ATOM 872 HZ1 LYS A 69 24.381 17.637 42.117 1.00 0.00 H ATOM 873 HZ2 LYS A 69 23.254 18.325 41.047 1.00 0.00 H ATOM 874 HZ3 LYS A 69 24.805 19.003 41.201 1.00 0.00 H ATOM 875 H LYS A 69 22.267 16.088 43.662 1.00 0.00 H ATOM 876 N SER A 70 21.537 14.178 40.834 1.00 56.41 N ATOM 877 CA SER A 70 21.531 13.319 39.653 1.00 54.69 C ATOM 878 C SER A 70 21.109 11.871 39.878 1.00 53.70 C ATOM 879 O SER A 70 20.522 11.255 38.991 1.00 54.75 O ATOM 880 CB SER A 70 22.906 13.340 38.984 1.00 54.89 C ATOM 881 OG SER A 70 23.885 12.750 39.817 1.00 54.79 O ATOM 882 HA SER A 70 20.759 13.747 39.014 1.00 0.00 H ATOM 883 HB2 SER A 70 23.187 14.373 38.780 1.00 0.00 H ATOM 884 HB3 SER A 70 22.855 12.786 38.046 1.00 0.00 H ATOM 885 HG SER A 70 24.764 12.776 39.361 1.00 0.00 H ATOM 886 H SER A 70 22.187 13.983 41.622 1.00 0.00 H ATOM 887 N ASP A 71 21.402 11.326 41.053 1.00 51.54 N ATOM 888 CA ASP A 71 21.056 9.941 41.346 1.00 50.39 C ATOM 889 C ASP A 71 19.544 9.708 41.384 1.00 50.81 C ATOM 890 O ASP A 71 18.833 10.277 42.216 1.00 50.12 O ATOM 891 CB ASP A 71 21.688 9.515 42.674 1.00 49.57 C ATOM 892 CG ASP A 71 21.704 8.012 42.856 1.00 48.88 C ATOM 893 OD1 ASP A 71 21.314 7.294 41.912 1.00 48.51 O ATOM 894 OD2 ASP A 71 22.113 7.546 43.941 1.00 47.92 O ATOM 895 HA ASP A 71 21.453 9.331 40.535 1.00 0.00 H ATOM 896 HB2 ASP A 71 22.714 9.882 42.706 1.00 0.00 H ATOM 897 HB3 ASP A 71 21.119 9.960 43.490 1.00 0.00 H ATOM 898 H ASP A 71 21.886 11.897 41.775 1.00 0.00 H ATOM 899 N ARG A 72 19.068 8.862 40.473 1.00 49.92 N ATOM 900 CA ARG A 72 17.650 8.530 40.373 1.00 49.44 C ATOM 901 C ARG A 72 17.266 7.505 41.433 1.00 47.44 C ATOM 902 O ARG A 72 17.987 6.537 41.672 1.00 46.69 O ATOM 903 CB ARG A 72 17.331 7.953 38.984 1.00 51.23 C ATOM 904 CG ARG A 72 17.775 8.814 37.809 1.00 53.62 C ATOM 905 CD ARG A 72 16.921 10.062 37.661 1.00 56.12 C ATOM 906 NE ARG A 72 15.519 9.748 37.395 1.00 57.86 N ATOM 907 CZ ARG A 72 15.089 9.043 36.351 1.00 58.65 C ATOM 908 NH1 ARG A 72 15.955 8.569 35.466 1.00 58.94 N ATOM 909 NH2 ARG A 72 13.791 8.817 36.189 1.00 57.89 N ATOM 910 HA ARG A 72 17.079 9.445 40.528 1.00 0.00 H ATOM 911 HB2 ARG A 72 17.824 6.985 38.899 1.00 0.00 H ATOM 912 HB3 ARG A 72 16.252 7.817 38.914 1.00 0.00 H ATOM 913 HG2 ARG A 72 18.812 9.113 37.964 1.00 0.00 H ATOM 914 HG3 ARG A 72 17.701 8.226 36.894 1.00 0.00 H ATOM 915 HD2 ARG A 72 17.310 10.657 36.835 1.00 0.00 H ATOM 916 HD3 ARG A 72 16.982 10.640 38.583 1.00 0.00 H ATOM 917 HE ARG A 72 14.808 10.100 38.068 1.00 0.00 H ATOM 918 HH12 ARG A 72 15.617 8.018 34.651 1.00 0.00 H ATOM 919 HH11 ARG A 72 16.972 8.748 35.587 1.00 0.00 H ATOM 920 HH22 ARG A 72 13.457 8.266 35.373 1.00 0.00 H ATOM 921 HH21 ARG A 72 13.108 9.191 36.878 1.00 0.00 H ATOM 922 H ARG A 72 19.733 8.420 39.806 1.00 0.00 H ATOM 923 N TYR A 73 16.128 7.729 42.074 1.00 45.92 N ATOM 924 CA TYR A 73 15.641 6.817 43.090 1.00 44.30 C ATOM 925 C TYR A 73 14.170 6.580 42.822 1.00 45.00 C ATOM 926 O TYR A 73 13.569 7.242 41.975 1.00 44.66 O ATOM 927 CB TYR A 73 15.854 7.395 44.502 1.00 43.11 C ATOM 928 CG TYR A 73 15.110 8.685 44.806 1.00 39.29 C ATOM 929 CD1 TYR A 73 13.743 8.683 45.083 1.00 38.51 C ATOM 930 CD2 TYR A 73 15.781 9.906 44.816 1.00 39.08 C ATOM 931 CE1 TYR A 73 13.061 9.870 45.363 1.00 37.20 C ATOM 932 CE2 TYR A 73 15.112 11.096 45.092 1.00 36.78 C ATOM 933 CZ TYR A 73 13.756 11.071 45.365 1.00 36.78 C ATOM 934 OH TYR A 73 13.098 12.248 45.640 1.00 31.78 O ATOM 935 HA TYR A 73 16.192 5.878 43.047 1.00 0.00 H ATOM 936 HB3 TYR A 73 16.920 7.585 44.629 1.00 0.00 H ATOM 937 HB2 TYR A 73 15.532 6.644 45.223 1.00 0.00 H ATOM 938 HD2 TYR A 73 16.850 9.930 44.604 1.00 0.00 H ATOM 939 HE2 TYR A 73 15.654 12.042 45.093 1.00 0.00 H ATOM 940 HE1 TYR A 73 11.993 9.853 45.578 1.00 0.00 H ATOM 941 HD1 TYR A 73 13.197 7.739 45.081 1.00 0.00 H ATOM 942 HH TYR A 73 13.500 12.671 46.440 1.00 0.00 H ATOM 943 H TYR A 73 15.572 8.577 41.843 1.00 0.00 H ATOM 944 N LYS A 74 13.596 5.630 43.546 1.00 45.13 N ATOM 945 CA LYS A 74 12.193 5.299 43.380 1.00 46.95 C ATOM 946 C LYS A 74 11.462 5.401 44.716 1.00 46.44 C ATOM 947 O LYS A 74 12.075 5.307 45.778 1.00 47.54 O ATOM 948 CB LYS A 74 12.067 3.892 42.789 1.00 47.95 C ATOM 949 CG LYS A 74 10.649 3.464 42.476 1.00 51.70 C ATOM 950 CD LYS A 74 10.656 2.178 41.662 1.00 54.47 C ATOM 951 CE LYS A 74 11.426 2.354 40.357 1.00 55.73 C ATOM 952 NZ LYS A 74 10.763 3.310 39.439 1.00 56.72 N ATOM 953 HA LYS A 74 11.732 6.009 42.693 1.00 0.00 H ATOM 954 HB2 LYS A 74 12.644 3.858 41.865 1.00 0.00 H ATOM 955 HB3 LYS A 74 12.486 3.184 43.504 1.00 0.00 H ATOM 956 HG2 LYS A 74 10.109 3.298 43.408 1.00 0.00 H ATOM 957 HG3 LYS A 74 10.153 4.249 41.905 1.00 0.00 H ATOM 958 HD2 LYS A 74 11.126 1.388 42.248 1.00 0.00 H ATOM 959 HD3 LYS A 74 9.628 1.896 41.433 1.00 0.00 H ATOM 960 HE2 LYS A 74 11.502 1.386 39.861 1.00 0.00 H ATOM 961 HE3 LYS A 74 12.426 2.723 40.586 1.00 0.00 H ATOM 962 HZ1 LYS A 74 9.810 2.963 39.208 1.00 0.00 H ATOM 963 HZ2 LYS A 74 10.692 4.239 39.900 1.00 0.00 H ATOM 964 HZ3 LYS A 74 11.323 3.396 38.567 1.00 0.00 H ATOM 965 H LYS A 74 14.162 5.111 44.247 1.00 0.00 H ATOM 966 N TYR A 75 10.152 5.615 44.653 1.00 46.15 N ATOM 967 CA TYR A 75 9.334 5.748 45.850 1.00 45.12 C ATOM 968 C TYR A 75 7.870 5.573 45.466 1.00 47.08 C ATOM 969 O TYR A 75 7.530 5.582 44.287 1.00 46.59 O ATOM 970 CB TYR A 75 9.553 7.133 46.469 1.00 43.26 C ATOM 971 CG TYR A 75 8.820 8.257 45.763 1.00 40.30 C ATOM 972 CD1 TYR A 75 7.524 8.609 46.137 1.00 37.98 C ATOM 973 CD2 TYR A 75 9.418 8.961 44.720 1.00 39.37 C ATOM 974 CE1 TYR A 75 6.842 9.631 45.494 1.00 38.46 C ATOM 975 CE2 TYR A 75 8.744 9.989 44.067 1.00 39.83 C ATOM 976 CZ TYR A 75 7.456 10.318 44.463 1.00 38.38 C ATOM 977 OH TYR A 75 6.786 11.344 43.841 1.00 40.15 O ATOM 978 HA TYR A 75 9.613 4.988 46.580 1.00 0.00 H ATOM 979 HB3 TYR A 75 10.620 7.353 46.444 1.00 0.00 H ATOM 980 HB2 TYR A 75 9.214 7.102 47.504 1.00 0.00 H ATOM 981 HD2 TYR A 75 10.431 8.702 44.410 1.00 0.00 H ATOM 982 HE2 TYR A 75 9.224 10.531 43.252 1.00 0.00 H ATOM 983 HE1 TYR A 75 5.828 9.891 45.799 1.00 0.00 H ATOM 984 HD1 TYR A 75 7.037 8.071 46.950 1.00 0.00 H ATOM 985 HH TYR A 75 5.887 11.442 44.245 1.00 0.00 H ATOM 986 H TYR A 75 9.697 5.690 43.721 1.00 0.00 H ATOM 987 N LYS A 76 7.002 5.405 46.458 1.00 50.30 N ATOM 988 CA LYS A 76 5.579 5.253 46.180 1.00 54.71 C ATOM 989 C LYS A 76 4.717 5.737 47.337 1.00 56.66 C ATOM 990 O LYS A 76 5.204 5.902 48.458 1.00 56.28 O ATOM 991 CB LYS A 76 5.237 3.795 45.861 1.00 57.48 C ATOM 992 CG LYS A 76 3.799 3.610 45.364 1.00 61.12 C ATOM 993 CD LYS A 76 3.530 4.496 44.149 1.00 63.08 C ATOM 994 CE LYS A 76 2.045 4.600 43.841 1.00 64.59 C ATOM 995 NZ LYS A 76 1.767 5.659 42.826 1.00 66.72 N ATOM 996 HA LYS A 76 5.361 5.873 45.311 1.00 0.00 H ATOM 997 HB2 LYS A 76 5.920 3.439 45.089 1.00 0.00 H ATOM 998 HB3 LYS A 76 5.371 3.201 46.765 1.00 0.00 H ATOM 999 HG2 LYS A 76 3.647 2.567 45.087 1.00 0.00 H ATOM 1000 HG3 LYS A 76 3.107 3.877 46.162 1.00 0.00 H ATOM 1001 HD2 LYS A 76 3.920 5.494 44.347 1.00 0.00 H ATOM 1002 HD3 LYS A 76 4.041 4.073 43.284 1.00 0.00 H ATOM 1003 HE2 LYS A 76 1.509 4.840 44.759 1.00 0.00 H ATOM 1004 HE3 LYS A 76 1.695 3.642 43.458 1.00 0.00 H ATOM 1005 HZ1 LYS A 76 2.093 6.578 43.187 1.00 0.00 H ATOM 1006 HZ2 LYS A 76 2.271 5.433 41.945 1.00 0.00 H ATOM 1007 HZ3 LYS A 76 0.744 5.701 42.641 1.00 0.00 H ATOM 1008 H LYS A 76 7.341 5.382 47.441 1.00 0.00 H ATOM 1009 N ARG A 77 3.436 5.973 47.062 1.00 58.18 N ATOM 1010 CA ARG A 77 2.529 6.447 48.093 1.00 60.18 C ATOM 1011 C ARG A 77 1.698 5.302 48.647 1.00 61.46 C ATOM 1012 O ARG A 77 1.151 4.496 47.897 1.00 61.89 O ATOM 1013 CB ARG A 77 1.625 7.542 47.528 1.00 60.95 C ATOM 1014 CG ARG A 77 0.892 8.354 48.580 1.00 62.17 C ATOM 1015 CD ARG A 77 0.237 9.555 47.938 1.00 62.85 C ATOM 1016 NE ARG A 77 1.214 10.439 47.311 1.00 63.33 N ATOM 1017 CZ ARG A 77 2.090 11.175 47.988 1.00 64.36 C ATOM 1018 NH1 ARG A 77 2.948 11.956 47.345 1.00 63.01 N ATOM 1019 NH2 ARG A 77 2.102 11.133 49.314 1.00 63.95 N ATOM 1020 HA ARG A 77 3.117 6.863 48.911 1.00 0.00 H ATOM 1021 HB2 ARG A 77 2.240 8.222 46.939 1.00 0.00 H ATOM 1022 HB3 ARG A 77 0.884 7.073 46.881 1.00 0.00 H ATOM 1023 HG2 ARG A 77 0.129 7.733 49.049 1.00 0.00 H ATOM 1024 HG3 ARG A 77 1.601 8.690 49.337 1.00 0.00 H ATOM 1025 HD2 ARG A 77 -0.303 10.113 48.703 1.00 0.00 H ATOM 1026 HD3 ARG A 77 -0.465 9.210 47.178 1.00 0.00 H ATOM 1027 HE ARG A 77 1.226 10.497 46.273 1.00 0.00 H ATOM 1028 HH12 ARG A 77 3.631 12.529 47.880 1.00 0.00 H ATOM 1029 HH11 ARG A 77 2.938 11.995 46.306 1.00 0.00 H ATOM 1030 HH22 ARG A 77 2.786 11.708 49.846 1.00 0.00 H ATOM 1031 HH21 ARG A 77 1.427 10.525 49.821 1.00 0.00 H ATOM 1032 H ARG A 77 3.080 5.816 46.097 1.00 0.00 H ATOM 1033 N VAL A 78 1.613 5.251 49.972 1.00 63.29 N ATOM 1034 CA VAL A 78 0.877 4.217 50.688 1.00 64.50 C ATOM 1035 C VAL A 78 -0.017 4.878 51.737 1.00 65.34 C ATOM 1036 O VAL A 78 0.467 5.335 52.772 1.00 65.36 O ATOM 1037 CB VAL A 78 1.860 3.250 51.390 1.00 64.97 C ATOM 1038 CG1 VAL A 78 1.109 2.301 52.294 1.00 65.25 C ATOM 1039 CG2 VAL A 78 2.662 2.484 50.347 1.00 65.05 C ATOM 1040 HA VAL A 78 0.270 3.652 49.980 1.00 0.00 H ATOM 1041 HB VAL A 78 2.550 3.827 52.006 1.00 0.00 H ATOM 1042 HG11 VAL A 78 0.570 2.872 53.050 1.00 0.00 H ATOM 1043 HG12 VAL A 78 0.401 1.721 51.702 1.00 0.00 H ATOM 1044 HG13 VAL A 78 1.816 1.628 52.780 1.00 0.00 H ATOM 1045 HG21 VAL A 78 1.982 1.912 49.715 1.00 0.00 H ATOM 1046 HG22 VAL A 78 3.224 3.188 49.734 1.00 0.00 H ATOM 1047 HG23 VAL A 78 3.352 1.805 50.848 1.00 0.00 H ATOM 1048 H VAL A 78 2.096 5.986 50.526 1.00 0.00 H ATOM 1049 N ASN A 79 -1.319 4.918 51.464 1.00 66.17 N ATOM 1050 CA ASN A 79 -2.284 5.539 52.370 1.00 66.05 C ATOM 1051 C ASN A 79 -2.162 7.060 52.321 1.00 64.36 C ATOM 1052 O ASN A 79 -2.497 7.759 53.280 1.00 64.82 O ATOM 1053 CB ASN A 79 -2.114 5.034 53.798 1.00 66.92 C ATOM 1054 CG ASN A 79 -2.981 3.839 54.014 1.00 69.01 C ATOM 1055 OD1 ASN A 79 -3.442 3.219 53.060 1.00 69.60 O ATOM 1056 ND2 ASN A 79 -3.203 3.481 55.278 1.00 69.38 N ATOM 1057 HA ASN A 79 -3.282 5.257 52.036 1.00 0.00 H ATOM 1058 HB2 ASN A 79 -1.072 4.761 53.965 1.00 0.00 H ATOM 1059 HB3 ASN A 79 -2.399 5.820 54.497 1.00 0.00 H ATOM 1060 HD22 ASN A 79 -2.792 4.036 56.056 1.00 0.00 H ATOM 1061 HD21 ASN A 79 -3.787 2.646 55.487 1.00 0.00 H ATOM 1062 H ASN A 79 -1.661 4.494 50.578 1.00 0.00 H ATOM 1063 N GLY A 80 -1.674 7.565 51.194 1.00 62.88 N ATOM 1064 CA GLY A 80 -1.524 8.998 51.030 1.00 60.49 C ATOM 1065 C GLY A 80 -0.194 9.567 51.485 1.00 58.40 C ATOM 1066 O GLY A 80 0.073 10.751 51.280 1.00 59.84 O ATOM 1067 HA3 GLY A 80 -2.313 9.487 51.601 1.00 0.00 H ATOM 1068 HA2 GLY A 80 -1.646 9.231 49.972 1.00 0.00 H ATOM 1069 H GLY A 80 -1.397 6.927 50.421 1.00 0.00 H ATOM 1070 N ALA A 81 0.645 8.737 52.101 1.00 54.69 N ATOM 1071 CA ALA A 81 1.945 9.196 52.578 1.00 50.18 C ATOM 1072 C ALA A 81 3.089 8.643 51.738 1.00 48.84 C ATOM 1073 O ALA A 81 3.121 7.450 51.415 1.00 49.11 O ATOM 1074 CB ALA A 81 2.137 8.805 54.040 1.00 49.84 C ATOM 1075 HA ALA A 81 1.962 10.282 52.485 1.00 0.00 H ATOM 1076 HB1 ALA A 81 1.353 9.263 54.643 1.00 0.00 H ATOM 1077 HB2 ALA A 81 2.084 7.720 54.135 1.00 0.00 H ATOM 1078 HB3 ALA A 81 3.111 9.154 54.383 1.00 0.00 H ATOM 1079 H ALA A 81 0.369 7.745 52.245 1.00 0.00 H ATOM 1080 N ILE A 82 4.025 9.522 51.390 1.00 45.30 N ATOM 1081 CA ILE A 82 5.192 9.153 50.594 1.00 42.81 C ATOM 1082 C ILE A 82 5.962 8.034 51.280 1.00 42.03 C ATOM 1083 O ILE A 82 6.169 8.072 52.490 1.00 42.77 O ATOM 1084 CB ILE A 82 6.157 10.349 50.428 1.00 41.82 C ATOM 1085 CG1 ILE A 82 5.453 11.496 49.706 1.00 39.67 C ATOM 1086 CG2 ILE A 82 7.409 9.914 49.679 1.00 38.61 C ATOM 1087 CD1 ILE A 82 6.328 12.701 49.522 1.00 40.76 C ATOM 1088 HA ILE A 82 4.828 8.833 49.618 1.00 0.00 H ATOM 1089 HB ILE A 82 6.459 10.704 51.413 1.00 0.00 H ATOM 1090 HG12 ILE A 82 5.135 11.145 48.724 1.00 0.00 H ATOM 1091 HG13 ILE A 82 4.578 11.788 50.288 1.00 0.00 H ATOM 1092 HD11 ILE A 82 6.646 13.070 50.497 1.00 0.00 H ATOM 1093 HD12 ILE A 82 7.203 12.427 48.933 1.00 0.00 H ATOM 1094 HD13 ILE A 82 5.768 13.479 49.003 1.00 0.00 H ATOM 1095 HG21 ILE A 82 7.911 9.125 50.240 1.00 0.00 H ATOM 1096 HG22 ILE A 82 7.130 9.540 48.694 1.00 0.00 H ATOM 1097 HG23 ILE A 82 8.080 10.766 49.569 1.00 0.00 H ATOM 1098 H ILE A 82 3.921 10.510 51.697 1.00 0.00 H ATOM 1099 N VAL A 83 6.388 7.043 50.506 1.00 42.58 N ATOM 1100 CA VAL A 83 7.153 5.931 51.055 1.00 43.37 C ATOM 1101 C VAL A 83 8.366 5.676 50.181 1.00 44.15 C ATOM 1102 O VAL A 83 8.234 5.224 49.045 1.00 45.13 O ATOM 1103 CB VAL A 83 6.337 4.626 51.102 1.00 43.15 C ATOM 1104 CG1 VAL A 83 7.165 3.531 51.763 1.00 43.43 C ATOM 1105 CG2 VAL A 83 5.044 4.841 51.851 1.00 42.11 C ATOM 1106 HA VAL A 83 7.434 6.209 52.071 1.00 0.00 H ATOM 1107 HB VAL A 83 6.092 4.319 50.085 1.00 0.00 H ATOM 1108 HG11 VAL A 83 8.077 3.369 51.188 1.00 0.00 H ATOM 1109 HG12 VAL A 83 7.423 3.835 52.777 1.00 0.00 H ATOM 1110 HG13 VAL A 83 6.585 2.608 51.795 1.00 0.00 H ATOM 1111 HG21 VAL A 83 5.264 5.160 52.870 1.00 0.00 H ATOM 1112 HG22 VAL A 83 4.457 5.609 51.348 1.00 0.00 H ATOM 1113 HG23 VAL A 83 4.480 3.909 51.875 1.00 0.00 H ATOM 1114 H VAL A 83 6.172 7.061 49.489 1.00 0.00 H ATOM 1115 N CYS A 84 9.550 5.963 50.706 1.00 44.90 N ATOM 1116 CA CYS A 84 10.766 5.741 49.942 1.00 46.12 C ATOM 1117 C CYS A 84 10.999 4.241 49.778 1.00 49.87 C ATOM 1118 O CYS A 84 11.015 3.502 50.761 1.00 49.03 O ATOM 1119 CB CYS A 84 11.964 6.389 50.642 1.00 41.15 C ATOM 1120 SG CYS A 84 11.934 8.211 50.619 1.00 34.24 S ATOM 1121 HA CYS A 84 10.656 6.198 48.958 1.00 0.00 H ATOM 1122 HB2 CYS A 84 12.875 6.054 50.146 1.00 0.00 H ATOM 1123 HB3 CYS A 84 11.975 6.058 51.681 1.00 0.00 H ATOM 1124 H CYS A 84 9.608 6.349 51.670 1.00 0.00 H ATOM 1125 N GLU A 85 11.158 3.799 48.531 1.00 54.26 N ATOM 1126 CA GLU A 85 11.402 2.388 48.245 1.00 58.66 C ATOM 1127 C GLU A 85 12.766 2.061 48.829 1.00 59.77 C ATOM 1128 O GLU A 85 13.327 2.853 49.586 1.00 60.90 O ATOM 1129 CB GLU A 85 11.426 2.130 46.733 1.00 60.43 C ATOM 1130 CG GLU A 85 10.212 2.644 45.971 1.00 64.37 C ATOM 1131 CD GLU A 85 8.928 1.917 46.321 1.00 66.14 C ATOM 1132 OE1 GLU A 85 8.565 1.876 47.516 1.00 67.89 O ATOM 1133 OE2 GLU A 85 8.274 1.393 45.396 1.00 66.23 O ATOM 1134 HA GLU A 85 10.612 1.771 48.674 1.00 0.00 H ATOM 1135 HB2 GLU A 85 12.313 2.613 46.322 1.00 0.00 H ATOM 1136 HB3 GLU A 85 11.494 1.054 46.575 1.00 0.00 H ATOM 1137 HG2 GLU A 85 10.083 3.702 46.199 1.00 0.00 H ATOM 1138 HG3 GLU A 85 10.397 2.524 44.904 1.00 0.00 H ATOM 1139 H GLU A 85 11.107 4.475 47.743 1.00 0.00 H ATOM 1140 N LYS A 86 13.310 0.903 48.479 1.00 59.94 N ATOM 1141 CA LYS A 86 14.616 0.540 48.996 1.00 59.24 C ATOM 1142 C LYS A 86 15.619 0.388 47.864 1.00 58.19 C ATOM 1143 O LYS A 86 15.584 -0.578 47.101 1.00 59.00 O ATOM 1144 CB LYS A 86 14.534 -0.752 49.810 1.00 59.82 C ATOM 1145 CG LYS A 86 15.505 -0.786 50.983 1.00 60.21 C ATOM 1146 CD LYS A 86 15.187 0.320 51.989 1.00 60.57 C ATOM 1147 CE LYS A 86 16.207 0.376 53.123 1.00 60.66 C ATOM 1148 NZ LYS A 86 15.942 1.500 54.071 1.00 59.71 N ATOM 1149 HA LYS A 86 14.955 1.341 49.652 1.00 0.00 H ATOM 1150 HB2 LYS A 86 13.520 -0.854 50.196 1.00 0.00 H ATOM 1151 HB3 LYS A 86 14.757 -1.591 49.151 1.00 0.00 H ATOM 1152 HG2 LYS A 86 15.430 -1.753 51.480 1.00 0.00 H ATOM 1153 HG3 LYS A 86 16.520 -0.648 50.610 1.00 0.00 H ATOM 1154 HD2 LYS A 86 15.186 1.278 51.469 1.00 0.00 H ATOM 1155 HD3 LYS A 86 14.200 0.137 52.413 1.00 0.00 H ATOM 1156 HE2 LYS A 86 17.201 0.506 52.695 1.00 0.00 H ATOM 1157 HE3 LYS A 86 16.170 -0.564 53.674 1.00 0.00 H ATOM 1158 HZ1 LYS A 86 15.983 2.403 53.556 1.00 0.00 H ATOM 1159 HZ2 LYS A 86 14.998 1.382 54.492 1.00 0.00 H ATOM 1160 HZ3 LYS A 86 16.661 1.495 54.822 1.00 0.00 H ATOM 1161 H LYS A 86 12.804 0.259 47.838 1.00 0.00 H ATOM 1162 N GLY A 88 16.500 1.372 47.750 1.00 55.18 N ATOM 1163 CA GLY A 88 17.521 1.343 46.724 1.00 51.46 C ATOM 1164 C GLY A 88 18.855 1.301 47.428 1.00 48.90 C ATOM 1165 O GLY A 88 18.980 0.670 48.479 1.00 48.78 O ATOM 1166 HA3 GLY A 88 17.453 2.236 46.103 1.00 0.00 H ATOM 1167 HA2 GLY A 88 17.399 0.458 46.100 1.00 0.00 H ATOM 1168 H GLY A 88 16.457 2.177 48.407 1.00 0.00 H ATOM 1169 N THR A 89 19.854 1.966 46.864 1.00 46.91 N ATOM 1170 CA THR A 89 21.166 1.997 47.491 1.00 46.31 C ATOM 1171 C THR A 89 21.058 2.916 48.700 1.00 45.24 C ATOM 1172 O THR A 89 20.059 3.621 48.860 1.00 45.47 O ATOM 1173 CB THR A 89 22.237 2.550 46.532 1.00 46.45 C ATOM 1174 OG1 THR A 89 21.913 3.900 46.169 1.00 45.36 O ATOM 1175 CG2 THR A 89 22.305 1.694 45.275 1.00 47.98 C ATOM 1176 HA THR A 89 21.464 0.986 47.770 1.00 0.00 H ATOM 1177 HB THR A 89 23.204 2.529 47.035 1.00 0.00 H ATOM 1178 HG1 THR A 89 22.604 4.250 45.553 1.00 0.00 H ATOM 1179 HG23 THR A 89 22.551 0.668 45.549 1.00 0.00 H ATOM 1180 HG21 THR A 89 21.339 1.715 44.770 1.00 0.00 H ATOM 1181 HG22 THR A 89 23.073 2.088 44.610 1.00 0.00 H ATOM 1182 H THR A 89 19.698 2.469 45.967 1.00 0.00 H ATOM 1183 N SER A 90 22.073 2.897 49.555 1.00 42.85 N ATOM 1184 CA SER A 90 22.078 3.749 50.735 1.00 40.76 C ATOM 1185 C SER A 90 21.809 5.189 50.312 1.00 39.14 C ATOM 1186 O SER A 90 20.953 5.866 50.880 1.00 38.05 O ATOM 1187 CB SER A 90 23.432 3.668 51.442 1.00 40.59 C ATOM 1188 OG SER A 90 23.498 4.579 52.524 1.00 39.78 O ATOM 1189 HA SER A 90 21.303 3.413 51.423 1.00 0.00 H ATOM 1190 HB2 SER A 90 24.221 3.905 50.728 1.00 0.00 H ATOM 1191 HB3 SER A 90 23.577 2.656 51.819 1.00 0.00 H ATOM 1192 HG SER A 90 24.383 4.505 52.962 1.00 0.00 H ATOM 1193 H SER A 90 22.878 2.263 49.379 1.00 0.00 H ATOM 1194 N CYS A 91 22.543 5.643 49.302 1.00 36.64 N ATOM 1195 CA CYS A 91 22.396 7.003 48.800 1.00 37.78 C ATOM 1196 C CYS A 91 20.984 7.305 48.307 1.00 37.21 C ATOM 1197 O CYS A 91 20.443 8.380 48.571 1.00 36.11 O ATOM 1198 CB CYS A 91 23.389 7.263 47.662 1.00 36.65 C ATOM 1199 SG CYS A 91 25.089 7.649 48.190 1.00 39.27 S ATOM 1200 HA CYS A 91 22.602 7.664 49.642 1.00 0.00 H ATOM 1201 HB2 CYS A 91 23.018 8.104 47.076 1.00 0.00 H ATOM 1202 HB3 CYS A 91 23.424 6.372 47.035 1.00 0.00 H ATOM 1203 H CYS A 91 23.240 5.012 48.858 1.00 0.00 H ATOM 1204 N GLU A 92 20.395 6.358 47.582 1.00 37.01 N ATOM 1205 CA GLU A 92 19.057 6.545 47.043 1.00 36.92 C ATOM 1206 C GLU A 92 18.005 6.732 48.128 1.00 36.94 C ATOM 1207 O GLU A 92 17.109 7.570 47.991 1.00 36.59 O ATOM 1208 CB GLU A 92 18.697 5.367 46.134 1.00 38.39 C ATOM 1209 CG GLU A 92 19.223 5.535 44.714 1.00 39.38 C ATOM 1210 CD GLU A 92 19.373 4.221 43.970 1.00 42.05 C ATOM 1211 OE1 GLU A 92 18.481 3.356 44.091 1.00 42.28 O ATOM 1212 OE2 GLU A 92 20.383 4.062 43.253 1.00 41.71 O ATOM 1213 HA GLU A 92 19.064 7.467 46.461 1.00 0.00 H ATOM 1214 HB2 GLU A 92 19.122 4.457 46.558 1.00 0.00 H ATOM 1215 HB3 GLU A 92 17.612 5.276 46.095 1.00 0.00 H ATOM 1216 HG2 GLU A 92 18.530 6.169 44.161 1.00 0.00 H ATOM 1217 HG3 GLU A 92 20.198 6.020 44.761 1.00 0.00 H ATOM 1218 H GLU A 92 20.900 5.468 47.397 1.00 0.00 H ATOM 1219 N ASN A 93 18.114 5.962 49.206 1.00 34.79 N ATOM 1220 CA ASN A 93 17.161 6.073 50.303 1.00 35.37 C ATOM 1221 C ASN A 93 17.356 7.348 51.106 1.00 32.24 C ATOM 1222 O ASN A 93 16.389 7.934 51.570 1.00 32.64 O ATOM 1223 CB ASN A 93 17.263 4.870 51.242 1.00 37.79 C ATOM 1224 CG ASN A 93 16.541 3.656 50.707 1.00 43.21 C ATOM 1225 OD1 ASN A 93 16.990 3.016 49.752 1.00 43.88 O ATOM 1226 ND2 ASN A 93 15.402 3.336 51.313 1.00 46.11 N ATOM 1227 HA ASN A 93 16.171 6.100 49.848 1.00 0.00 H ATOM 1228 HB2 ASN A 93 18.315 4.620 51.377 1.00 0.00 H ATOM 1229 HB3 ASN A 93 16.828 5.140 52.205 1.00 0.00 H ATOM 1230 HD22 ASN A 93 15.062 3.905 52.115 1.00 0.00 H ATOM 1231 HD21 ASN A 93 14.851 2.517 50.985 1.00 0.00 H ATOM 1232 H ASN A 93 18.889 5.272 49.267 1.00 0.00 H ATOM 1233 N ARG A 94 18.605 7.770 51.275 1.00 29.93 N ATOM 1234 CA ARG A 94 18.892 8.984 52.029 1.00 30.25 C ATOM 1235 C ARG A 94 18.494 10.228 51.240 1.00 28.86 C ATOM 1236 O ARG A 94 17.974 11.197 51.809 1.00 25.99 O ATOM 1237 CB ARG A 94 20.377 9.039 52.405 1.00 30.10 C ATOM 1238 CG ARG A 94 20.758 8.141 53.583 1.00 29.63 C ATOM 1239 CD ARG A 94 22.258 8.196 53.833 1.00 30.83 C ATOM 1240 NE ARG A 94 22.986 7.463 52.799 1.00 31.03 N ATOM 1241 CZ ARG A 94 24.278 7.612 52.529 1.00 31.40 C ATOM 1242 NH1 ARG A 94 25.011 8.483 53.211 1.00 31.94 N ATOM 1243 NH2 ARG A 94 24.842 6.871 51.583 1.00 31.14 N ATOM 1244 HA ARG A 94 18.300 8.963 52.944 1.00 0.00 H ATOM 1245 HB2 ARG A 94 20.961 8.732 51.538 1.00 0.00 H ATOM 1246 HB3 ARG A 94 20.627 10.068 52.664 1.00 0.00 H ATOM 1247 HG2 ARG A 94 20.233 8.479 54.476 1.00 0.00 H ATOM 1248 HG3 ARG A 94 20.469 7.114 53.360 1.00 0.00 H ATOM 1249 HD2 ARG A 94 22.475 7.753 54.805 1.00 0.00 H ATOM 1250 HD3 ARG A 94 22.583 9.236 53.829 1.00 0.00 H ATOM 1251 HE ARG A 94 22.453 6.773 52.232 1.00 0.00 H ATOM 1252 HH12 ARG A 94 26.022 8.594 52.994 1.00 0.00 H ATOM 1253 HH11 ARG A 94 24.574 9.054 53.962 1.00 0.00 H ATOM 1254 HH22 ARG A 94 25.853 6.984 51.368 1.00 0.00 H ATOM 1255 HH21 ARG A 94 24.273 6.178 51.057 1.00 0.00 H ATOM 1256 H ARG A 94 19.390 7.226 50.863 1.00 0.00 H ATOM 1257 N ILE A 95 18.737 10.201 49.931 1.00 27.74 N ATOM 1258 CA ILE A 95 18.371 11.324 49.073 1.00 27.83 C ATOM 1259 C ILE A 95 16.845 11.424 49.036 1.00 27.84 C ATOM 1260 O ILE A 95 16.285 12.518 49.140 1.00 27.72 O ATOM 1261 CB ILE A 95 18.912 11.145 47.631 1.00 28.80 C ATOM 1262 CG1 ILE A 95 20.438 11.247 47.632 1.00 28.81 C ATOM 1263 CG2 ILE A 95 18.320 12.217 46.708 1.00 26.99 C ATOM 1264 CD1 ILE A 95 21.077 10.882 46.290 1.00 31.48 C ATOM 1265 HA ILE A 95 18.813 12.234 49.480 1.00 0.00 H ATOM 1266 HB ILE A 95 18.619 10.161 47.264 1.00 0.00 H ATOM 1267 HG12 ILE A 95 20.715 12.272 47.879 1.00 0.00 H ATOM 1268 HG13 ILE A 95 20.828 10.573 48.395 1.00 0.00 H ATOM 1269 HD11 ILE A 95 20.819 9.855 46.034 1.00 0.00 H ATOM 1270 HD12 ILE A 95 20.706 11.555 45.517 1.00 0.00 H ATOM 1271 HD13 ILE A 95 22.160 10.978 46.367 1.00 0.00 H ATOM 1272 HG21 ILE A 95 17.234 12.125 46.697 1.00 0.00 H ATOM 1273 HG22 ILE A 95 18.599 13.205 47.075 1.00 0.00 H ATOM 1274 HG23 ILE A 95 18.708 12.080 45.699 1.00 0.00 H ATOM 1275 H ILE A 95 19.195 9.366 49.513 1.00 0.00 H ATOM 1276 N CYS A 96 16.176 10.279 48.903 1.00 29.35 N ATOM 1277 CA CYS A 96 14.714 10.250 48.869 1.00 28.17 C ATOM 1278 C CYS A 96 14.129 10.829 50.154 1.00 28.14 C ATOM 1279 O CYS A 96 13.140 11.570 50.115 1.00 28.08 O ATOM 1280 CB CYS A 96 14.199 8.817 48.677 1.00 30.50 C ATOM 1281 SG CYS A 96 12.377 8.668 48.694 1.00 30.99 S ATOM 1282 HA CYS A 96 14.394 10.860 48.024 1.00 0.00 H ATOM 1283 HB2 CYS A 96 14.601 8.199 49.480 1.00 0.00 H ATOM 1284 HB3 CYS A 96 14.564 8.448 47.718 1.00 0.00 H ATOM 1285 H CYS A 96 16.705 9.387 48.822 1.00 0.00 H ATOM 1286 N GLU A 97 14.739 10.494 51.292 1.00 27.12 N ATOM 1287 CA GLU A 97 14.270 10.996 52.579 1.00 25.73 C ATOM 1288 C GLU A 97 14.450 12.509 52.679 1.00 24.50 C ATOM 1289 O GLU A 97 13.570 13.216 53.179 1.00 24.21 O ATOM 1290 CB GLU A 97 15.013 10.309 53.731 1.00 26.69 C ATOM 1291 CG GLU A 97 14.713 8.823 53.902 1.00 28.13 C ATOM 1292 CD GLU A 97 13.254 8.536 54.213 1.00 30.62 C ATOM 1293 OE1 GLU A 97 12.567 9.417 54.775 1.00 30.01 O ATOM 1294 OE2 GLU A 97 12.794 7.415 53.910 1.00 33.55 O ATOM 1295 HA GLU A 97 13.207 10.767 52.654 1.00 0.00 H ATOM 1296 HB2 GLU A 97 16.083 10.419 53.556 1.00 0.00 H ATOM 1297 HB3 GLU A 97 14.743 10.817 54.657 1.00 0.00 H ATOM 1298 HG2 GLU A 97 14.978 8.308 52.979 1.00 0.00 H ATOM 1299 HG3 GLU A 97 15.323 8.438 54.719 1.00 0.00 H ATOM 1300 H GLU A 97 15.565 9.863 51.261 1.00 0.00 H ATOM 1301 N CYS A 98 15.592 13.014 52.228 1.00 23.79 N ATOM 1302 CA CYS A 98 15.818 14.457 52.265 1.00 23.50 C ATOM 1303 C CYS A 98 14.719 15.167 51.466 1.00 22.44 C ATOM 1304 O CYS A 98 14.172 16.175 51.913 1.00 23.20 O ATOM 1305 CB CYS A 98 17.184 14.820 51.670 1.00 24.17 C ATOM 1306 SG CYS A 98 18.666 14.438 52.677 1.00 22.67 S ATOM 1307 HA CYS A 98 15.797 14.778 53.307 1.00 0.00 H ATOM 1308 HB2 CYS A 98 17.184 15.893 51.480 1.00 0.00 H ATOM 1309 HB3 CYS A 98 17.283 14.285 50.725 1.00 0.00 H ATOM 1310 H CYS A 98 16.326 12.382 51.848 1.00 0.00 H ATOM 1311 N ASP A 99 14.401 14.638 50.286 1.00 20.71 N ATOM 1312 CA ASP A 99 13.360 15.217 49.431 1.00 22.85 C ATOM 1313 C ASP A 99 11.968 15.136 50.072 1.00 21.70 C ATOM 1314 O ASP A 99 11.197 16.095 50.035 1.00 23.65 O ATOM 1315 CB ASP A 99 13.339 14.517 48.056 1.00 19.47 C ATOM 1316 CG ASP A 99 14.562 14.853 47.204 1.00 23.60 C ATOM 1317 OD1 ASP A 99 15.394 15.685 47.628 1.00 25.13 O ATOM 1318 OD2 ASP A 99 14.697 14.288 46.102 1.00 24.08 O ATOM 1319 HA ASP A 99 13.606 16.271 49.303 1.00 0.00 H ATOM 1320 HB2 ASP A 99 13.309 13.439 48.214 1.00 0.00 H ATOM 1321 HB3 ASP A 99 12.443 14.829 47.519 1.00 0.00 H ATOM 1322 H ASP A 99 14.906 13.789 49.961 1.00 0.00 H ATOM 1323 N LYS A 100 11.652 13.984 50.656 1.00 24.94 N ATOM 1324 CA LYS A 100 10.365 13.772 51.313 1.00 24.53 C ATOM 1325 C LYS A 100 10.145 14.815 52.419 1.00 25.92 C ATOM 1326 O LYS A 100 9.079 15.438 52.511 1.00 26.48 O ATOM 1327 CB LYS A 100 10.319 12.361 51.906 1.00 25.12 C ATOM 1328 CG LYS A 100 9.112 12.081 52.785 1.00 27.28 C ATOM 1329 CD LYS A 100 9.145 10.648 53.312 1.00 28.71 C ATOM 1330 CE LYS A 100 8.067 10.419 54.371 1.00 30.73 C ATOM 1331 NZ LYS A 100 7.984 8.988 54.805 1.00 31.20 N ATOM 1332 HA LYS A 100 9.570 13.881 50.575 1.00 0.00 H ATOM 1333 HB2 LYS A 100 10.313 11.646 51.083 1.00 0.00 H ATOM 1334 HB3 LYS A 100 11.217 12.215 52.506 1.00 0.00 H ATOM 1335 HG2 LYS A 100 9.115 12.772 53.628 1.00 0.00 H ATOM 1336 HG3 LYS A 100 8.203 12.226 52.201 1.00 0.00 H ATOM 1337 HD2 LYS A 100 8.979 9.961 52.482 1.00 0.00 H ATOM 1338 HD3 LYS A 100 10.123 10.454 53.753 1.00 0.00 H ATOM 1339 HE2 LYS A 100 7.103 10.716 53.959 1.00 0.00 H ATOM 1340 HE3 LYS A 100 8.294 11.036 55.241 1.00 0.00 H ATOM 1341 HZ1 LYS A 100 7.759 8.390 53.984 1.00 0.00 H ATOM 1342 HZ2 LYS A 100 8.897 8.696 55.208 1.00 0.00 H ATOM 1343 HZ3 LYS A 100 7.238 8.887 55.523 1.00 0.00 H ATOM 1344 H LYS A 100 12.344 13.208 50.645 1.00 0.00 H ATOM 1345 N ALA A 101 11.162 15.007 53.251 1.00 23.83 N ATOM 1346 CA ALA A 101 11.083 15.969 54.334 1.00 21.68 C ATOM 1347 C ALA A 101 10.816 17.380 53.814 1.00 23.25 C ATOM 1348 O ALA A 101 10.051 18.133 54.417 1.00 24.38 O ATOM 1349 CB ALA A 101 12.374 15.944 55.143 1.00 22.97 C ATOM 1350 HA ALA A 101 10.247 15.688 54.974 1.00 0.00 H ATOM 1351 HB1 ALA A 101 12.523 14.947 55.557 1.00 0.00 H ATOM 1352 HB2 ALA A 101 13.212 16.199 54.495 1.00 0.00 H ATOM 1353 HB3 ALA A 101 12.307 16.669 55.954 1.00 0.00 H ATOM 1354 H ALA A 101 12.034 14.456 53.123 1.00 0.00 H ATOM 1355 N ALA A 102 11.443 17.749 52.701 1.00 22.25 N ATOM 1356 CA ALA A 102 11.244 19.087 52.146 1.00 23.19 C ATOM 1357 C ALA A 102 9.857 19.251 51.534 1.00 21.95 C ATOM 1358 O ALA A 102 9.186 20.251 51.779 1.00 22.02 O ATOM 1359 CB ALA A 102 12.326 19.402 51.093 1.00 20.63 C ATOM 1360 HA ALA A 102 11.328 19.794 52.971 1.00 0.00 H ATOM 1361 HB1 ALA A 102 13.310 19.354 51.560 1.00 0.00 H ATOM 1362 HB2 ALA A 102 12.269 18.671 50.286 1.00 0.00 H ATOM 1363 HB3 ALA A 102 12.161 20.402 50.692 1.00 0.00 H ATOM 1364 H ALA A 102 12.080 17.081 52.222 1.00 0.00 H ATOM 1365 N ALA A 103 9.445 18.267 50.733 1.00 24.27 N ATOM 1366 CA ALA A 103 8.140 18.284 50.062 1.00 24.04 C ATOM 1367 C ALA A 103 7.024 18.472 51.072 1.00 24.24 C ATOM 1368 O ALA A 103 6.109 19.272 50.863 1.00 23.75 O ATOM 1369 CB ALA A 103 7.928 16.990 49.298 1.00 24.34 C ATOM 1370 HA ALA A 103 8.124 19.120 49.362 1.00 0.00 H ATOM 1371 HB1 ALA A 103 8.713 16.878 48.550 1.00 0.00 H ATOM 1372 HB2 ALA A 103 7.963 16.150 49.992 1.00 0.00 H ATOM 1373 HB3 ALA A 103 6.956 17.016 48.805 1.00 0.00 H ATOM 1374 H ALA A 103 10.075 17.454 50.578 1.00 0.00 H ATOM 1375 N ILE A 104 7.109 17.729 52.169 1.00 23.41 N ATOM 1376 CA ILE A 104 6.122 17.819 53.236 1.00 24.90 C ATOM 1377 C ILE A 104 6.233 19.154 53.981 1.00 25.09 C ATOM 1378 O ILE A 104 5.228 19.730 54.410 1.00 24.90 O ATOM 1379 CB ILE A 104 6.295 16.636 54.211 1.00 27.39 C ATOM 1380 CG1 ILE A 104 5.879 15.347 53.491 1.00 27.75 C ATOM 1381 CG2 ILE A 104 5.482 16.874 55.491 1.00 29.05 C ATOM 1382 CD1 ILE A 104 6.263 14.056 54.191 1.00 30.13 C ATOM 1383 HA ILE A 104 5.128 17.770 52.792 1.00 0.00 H ATOM 1384 HB ILE A 104 7.337 16.543 54.516 1.00 0.00 H ATOM 1385 HG12 ILE A 104 4.795 15.359 53.379 1.00 0.00 H ATOM 1386 HG13 ILE A 104 6.345 15.347 52.506 1.00 0.00 H ATOM 1387 HD11 ILE A 104 7.347 14.012 54.301 1.00 0.00 H ATOM 1388 HD12 ILE A 104 5.795 14.025 55.175 1.00 0.00 H ATOM 1389 HD13 ILE A 104 5.922 13.207 53.598 1.00 0.00 H ATOM 1390 HG21 ILE A 104 5.828 17.787 55.975 1.00 0.00 H ATOM 1391 HG22 ILE A 104 4.427 16.974 55.236 1.00 0.00 H ATOM 1392 HG23 ILE A 104 5.616 16.030 56.167 1.00 0.00 H ATOM 1393 H ILE A 104 7.903 17.064 52.269 1.00 0.00 H ATOM 1394 N CYS A 105 7.455 19.654 54.125 1.00 24.46 N ATOM 1395 CA CYS A 105 7.673 20.928 54.793 1.00 23.34 C ATOM 1396 C CYS A 105 6.973 22.023 53.986 1.00 23.60 C ATOM 1397 O CYS A 105 6.322 22.902 54.552 1.00 25.02 O ATOM 1398 CB CYS A 105 9.173 21.212 54.884 1.00 23.56 C ATOM 1399 SG CYS A 105 9.684 22.714 55.787 1.00 25.78 S ATOM 1400 HA CYS A 105 7.266 20.900 55.804 1.00 0.00 H ATOM 1401 HB2 CYS A 105 9.554 21.296 53.866 1.00 0.00 H ATOM 1402 HB3 CYS A 105 9.639 20.359 55.376 1.00 0.00 H ATOM 1403 H CYS A 105 8.270 19.126 53.754 1.00 0.00 H ATOM 1404 N PHE A 106 7.102 21.958 52.663 1.00 24.00 N ATOM 1405 CA PHE A 106 6.485 22.943 51.777 1.00 25.54 C ATOM 1406 C PHE A 106 4.963 22.967 51.940 1.00 27.93 C ATOM 1407 O PHE A 106 4.353 24.039 51.969 1.00 27.96 O ATOM 1408 CB PHE A 106 6.808 22.644 50.303 1.00 26.05 C ATOM 1409 CG PHE A 106 8.259 22.866 49.914 1.00 27.00 C ATOM 1410 CD1 PHE A 106 9.020 23.877 50.501 1.00 25.26 C ATOM 1411 CD2 PHE A 106 8.838 22.097 48.905 1.00 26.76 C ATOM 1412 CE1 PHE A 106 10.328 24.117 50.086 1.00 23.99 C ATOM 1413 CE2 PHE A 106 10.146 22.331 48.482 1.00 23.74 C ATOM 1414 CZ PHE A 106 10.892 23.341 49.072 1.00 23.96 C ATOM 1415 HA PHE A 106 6.897 23.913 52.056 1.00 0.00 H ATOM 1416 HB2 PHE A 106 6.559 21.601 50.105 1.00 0.00 H ATOM 1417 HB3 PHE A 106 6.187 23.289 49.681 1.00 0.00 H ATOM 1418 HD2 PHE A 106 8.259 21.300 48.439 1.00 0.00 H ATOM 1419 HE2 PHE A 106 10.581 21.722 47.690 1.00 0.00 H ATOM 1420 HZ PHE A 106 11.915 23.528 48.745 1.00 0.00 H ATOM 1421 HE1 PHE A 106 10.911 24.911 50.553 1.00 0.00 H ATOM 1422 HD1 PHE A 106 8.586 24.486 51.294 1.00 0.00 H ATOM 1423 H PHE A 106 7.658 21.184 52.247 1.00 0.00 H ATOM 1424 N ARG A 107 4.359 21.784 52.028 1.00 27.99 N ATOM 1425 CA ARG A 107 2.913 21.662 52.180 1.00 30.19 C ATOM 1426 C ARG A 107 2.438 22.178 53.531 1.00 31.54 C ATOM 1427 O ARG A 107 1.419 22.870 53.622 1.00 32.25 O ATOM 1428 CB ARG A 107 2.470 20.203 52.027 1.00 32.69 C ATOM 1429 CG ARG A 107 1.032 19.966 52.510 1.00 39.75 C ATOM 1430 CD ARG A 107 0.479 18.593 52.150 1.00 40.59 C ATOM 1431 NE ARG A 107 1.190 17.497 52.796 1.00 45.27 N ATOM 1432 CZ ARG A 107 1.317 17.347 54.112 1.00 46.90 C ATOM 1433 NH1 ARG A 107 0.783 18.230 54.950 1.00 49.64 N ATOM 1434 NH2 ARG A 107 1.972 16.300 54.595 1.00 46.30 N ATOM 1435 HA ARG A 107 2.465 22.271 51.394 1.00 0.00 H ATOM 1436 HB2 ARG A 107 2.534 19.927 50.974 1.00 0.00 H ATOM 1437 HB3 ARG A 107 3.142 19.572 52.608 1.00 0.00 H ATOM 1438 HG2 ARG A 107 1.012 20.071 53.595 1.00 0.00 H ATOM 1439 HG3 ARG A 107 0.390 20.724 52.061 1.00 0.00 H ATOM 1440 HD2 ARG A 107 0.551 18.463 51.070 1.00 0.00 H ATOM 1441 HD3 ARG A 107 -0.568 18.552 52.451 1.00 0.00 H ATOM 1442 HE ARG A 107 1.630 16.780 52.184 1.00 0.00 H ATOM 1443 HH12 ARG A 107 0.889 18.102 55.977 1.00 0.00 H ATOM 1444 HH11 ARG A 107 0.259 19.048 54.579 1.00 0.00 H ATOM 1445 HH22 ARG A 107 2.073 16.179 55.623 1.00 0.00 H ATOM 1446 HH21 ARG A 107 2.384 15.600 53.946 1.00 0.00 H ATOM 1447 H ARG A 107 4.936 20.920 51.987 1.00 0.00 H ATOM 1448 N GLN A 108 3.180 21.839 54.582 1.00 31.24 N ATOM 1449 CA GLN A 108 2.823 22.262 55.927 1.00 30.69 C ATOM 1450 C GLN A 108 2.818 23.776 56.058 1.00 29.85 C ATOM 1451 O GLN A 108 2.114 24.324 56.907 1.00 26.68 O ATOM 1452 CB GLN A 108 3.805 21.682 56.945 1.00 32.66 C ATOM 1453 CG GLN A 108 3.903 20.169 56.933 1.00 35.14 C ATOM 1454 CD GLN A 108 4.856 19.651 57.989 1.00 37.30 C ATOM 1455 OE1 GLN A 108 5.957 20.183 58.164 1.00 37.38 O ATOM 1456 NE2 GLN A 108 4.444 18.598 58.695 1.00 36.80 N ATOM 1457 HA GLN A 108 1.817 21.891 56.123 1.00 0.00 H ATOM 1458 HB2 GLN A 108 4.794 22.089 56.735 1.00 0.00 H ATOM 1459 HB3 GLN A 108 3.489 21.995 57.940 1.00 0.00 H ATOM 1460 HG2 GLN A 108 2.913 19.751 57.117 1.00 0.00 H ATOM 1461 HG3 GLN A 108 4.255 19.847 55.953 1.00 0.00 H ATOM 1462 HE22 GLN A 108 3.508 18.183 58.512 1.00 0.00 H ATOM 1463 HE21 GLN A 108 5.059 18.191 59.429 1.00 0.00 H ATOM 1464 H GLN A 108 4.032 21.260 54.439 1.00 0.00 H ATOM 1465 N ASN A 109 3.611 24.443 55.219 1.00 29.16 N ATOM 1466 CA ASN A 109 3.721 25.898 55.258 1.00 29.37 C ATOM 1467 C ASN A 109 3.169 26.635 54.037 1.00 29.19 C ATOM 1468 O ASN A 109 3.519 27.790 53.800 1.00 29.52 O ATOM 1469 CB ASN A 109 5.184 26.290 55.481 1.00 28.21 C ATOM 1470 CG ASN A 109 5.727 25.763 56.797 1.00 29.52 C ATOM 1471 OD1 ASN A 109 5.342 26.230 57.866 1.00 29.52 O ATOM 1472 ND2 ASN A 109 6.614 24.778 56.725 1.00 28.55 N ATOM 1473 HA ASN A 109 3.087 26.214 56.087 1.00 0.00 H ATOM 1474 HB2 ASN A 109 5.784 25.885 54.666 1.00 0.00 H ATOM 1475 HB3 ASN A 109 5.260 27.377 55.480 1.00 0.00 H ATOM 1476 HD22 ASN A 109 6.912 24.413 55.798 1.00 0.00 H ATOM 1477 HD21 ASN A 109 7.011 24.371 57.596 1.00 0.00 H ATOM 1478 H ASN A 109 4.166 23.912 54.518 1.00 0.00 H ATOM 1479 N LEU A 110 2.312 25.981 53.261 1.00 31.80 N ATOM 1480 CA LEU A 110 1.714 26.636 52.095 1.00 33.77 C ATOM 1481 C LEU A 110 0.986 27.851 52.626 1.00 35.02 C ATOM 1482 O LEU A 110 0.818 28.866 51.950 1.00 34.29 O ATOM 1483 CB LEU A 110 0.706 25.712 51.412 1.00 36.39 C ATOM 1484 CG LEU A 110 1.237 24.851 50.264 1.00 38.49 C ATOM 1485 CD1 LEU A 110 0.129 23.967 49.744 1.00 37.94 C ATOM 1486 CD2 LEU A 110 1.769 25.752 49.152 1.00 40.20 C ATOM 1487 HA LEU A 110 2.479 26.896 51.364 1.00 0.00 H ATOM 1488 HB2 LEU A 110 0.304 25.041 52.171 1.00 0.00 H ATOM 1489 HB3 LEU A 110 -0.098 26.333 51.016 1.00 0.00 H ATOM 1490 HG LEU A 110 2.051 24.221 50.622 1.00 0.00 H ATOM 1491 HD21 LEU A 110 0.964 26.389 48.786 1.00 0.00 H ATOM 1492 HD22 LEU A 110 2.575 26.372 49.543 1.00 0.00 H ATOM 1493 HD23 LEU A 110 2.146 25.136 48.336 1.00 0.00 H ATOM 1494 HD11 LEU A 110 -0.227 23.323 50.548 1.00 0.00 H ATOM 1495 HD12 LEU A 110 -0.691 24.588 49.384 1.00 0.00 H ATOM 1496 HD13 LEU A 110 0.508 23.354 48.926 1.00 0.00 H ATOM 1497 H LEU A 110 2.063 24.996 53.483 1.00 0.00 H ATOM 1498 N ASN A 111 0.561 27.699 53.869 1.00 35.66 N ATOM 1499 CA ASN A 111 -0.164 28.685 54.641 1.00 37.31 C ATOM 1500 C ASN A 111 0.488 30.063 54.610 1.00 35.73 C ATOM 1501 O ASN A 111 -0.197 31.088 54.604 1.00 32.41 O ATOM 1502 CB ASN A 111 -0.218 28.179 56.080 1.00 43.58 C ATOM 1503 CG ASN A 111 -1.571 28.330 56.701 1.00 47.02 C ATOM 1504 OD1 ASN A 111 -1.849 27.724 57.737 1.00 50.63 O ATOM 1505 ND2 ASN A 111 -2.427 29.140 56.086 1.00 49.88 N ATOM 1506 HA ASN A 111 -1.157 28.806 54.209 1.00 0.00 H ATOM 1507 HB2 ASN A 111 0.053 27.123 56.088 1.00 0.00 H ATOM 1508 HB3 ASN A 111 0.502 28.742 56.674 1.00 0.00 H ATOM 1509 HD22 ASN A 111 -2.144 29.629 55.213 1.00 0.00 H ATOM 1510 HD21 ASN A 111 -3.379 29.284 56.478 1.00 0.00 H ATOM 1511 H ASN A 111 0.766 26.791 54.333 1.00 0.00 H ATOM 1512 N THR A 112 1.815 30.086 54.598 1.00 34.42 N ATOM 1513 CA THR A 112 2.547 31.349 54.602 1.00 32.34 C ATOM 1514 C THR A 112 3.391 31.612 53.363 1.00 32.11 C ATOM 1515 O THR A 112 4.261 32.477 53.379 1.00 29.80 O ATOM 1516 CB THR A 112 3.465 31.438 55.823 1.00 32.06 C ATOM 1517 OG1 THR A 112 4.265 30.251 55.895 1.00 30.66 O ATOM 1518 CG2 THR A 112 2.646 31.578 57.098 1.00 30.41 C ATOM 1519 HA THR A 112 1.765 32.108 54.625 1.00 0.00 H ATOM 1520 HB THR A 112 4.105 32.315 55.724 1.00 0.00 H ATOM 1521 HG1 THR A 112 4.810 30.172 55.073 1.00 0.00 H ATOM 1522 HG23 THR A 112 2.039 32.481 57.041 1.00 0.00 H ATOM 1523 HG21 THR A 112 1.998 30.709 57.209 1.00 0.00 H ATOM 1524 HG22 THR A 112 3.317 31.644 57.954 1.00 0.00 H ATOM 1525 H THR A 112 2.342 29.189 54.586 1.00 0.00 H ATOM 1526 N TYR A 113 3.146 30.861 52.298 1.00 32.21 N ATOM 1527 CA TYR A 113 3.882 31.058 51.058 1.00 34.33 C ATOM 1528 C TYR A 113 3.525 32.461 50.526 1.00 35.21 C ATOM 1529 O TYR A 113 2.349 32.798 50.389 1.00 34.25 O ATOM 1530 CB TYR A 113 3.494 29.949 50.070 1.00 34.74 C ATOM 1531 CG TYR A 113 4.126 30.050 48.701 1.00 34.28 C ATOM 1532 CD1 TYR A 113 3.704 31.018 47.790 1.00 33.19 C ATOM 1533 CD2 TYR A 113 5.134 29.164 48.307 1.00 32.64 C ATOM 1534 CE1 TYR A 113 4.266 31.105 46.521 1.00 32.40 C ATOM 1535 CE2 TYR A 113 5.705 29.244 47.034 1.00 30.88 C ATOM 1536 CZ TYR A 113 5.262 30.219 46.151 1.00 30.25 C ATOM 1537 OH TYR A 113 5.808 30.320 44.897 1.00 29.80 O ATOM 1538 HA TYR A 113 4.960 31.002 51.207 1.00 0.00 H ATOM 1539 HB3 TYR A 113 2.412 29.974 49.944 1.00 0.00 H ATOM 1540 HB2 TYR A 113 3.785 28.993 50.506 1.00 0.00 H ATOM 1541 HD2 TYR A 113 5.479 28.400 49.003 1.00 0.00 H ATOM 1542 HE2 TYR A 113 6.490 28.548 46.738 1.00 0.00 H ATOM 1543 HE1 TYR A 113 3.923 31.867 45.821 1.00 0.00 H ATOM 1544 HD1 TYR A 113 2.920 31.719 48.078 1.00 0.00 H ATOM 1545 HH TYR A 113 6.779 30.495 44.974 1.00 0.00 H ATOM 1546 H TYR A 113 2.417 30.121 52.350 1.00 0.00 H ATOM 1547 N SER A 114 4.542 33.282 50.265 1.00 34.94 N ATOM 1548 CA SER A 114 4.328 34.645 49.775 1.00 36.73 C ATOM 1549 C SER A 114 4.863 34.855 48.367 1.00 35.68 C ATOM 1550 O SER A 114 6.021 34.552 48.071 1.00 33.93 O ATOM 1551 CB SER A 114 4.992 35.660 50.705 1.00 38.59 C ATOM 1552 OG SER A 114 4.404 35.634 51.987 1.00 46.53 O ATOM 1553 HA SER A 114 3.248 34.794 49.755 1.00 0.00 H ATOM 1554 HB2 SER A 114 4.880 36.658 50.282 1.00 0.00 H ATOM 1555 HB3 SER A 114 6.052 35.422 50.794 1.00 0.00 H ATOM 1556 HG SER A 114 4.507 34.730 52.378 1.00 0.00 H ATOM 1557 H SER A 114 5.515 32.945 50.414 1.00 0.00 H ATOM 1558 N LYS A 115 4.015 35.391 47.501 1.00 35.64 N ATOM 1559 CA LYS A 115 4.408 35.636 46.125 1.00 36.77 C ATOM 1560 C LYS A 115 5.574 36.616 46.036 1.00 35.29 C ATOM 1561 O LYS A 115 6.394 36.531 45.124 1.00 34.80 O ATOM 1562 CB LYS A 115 3.212 36.173 45.335 1.00 41.63 C ATOM 1563 CG LYS A 115 2.039 35.201 45.266 1.00 46.65 C ATOM 1564 CD LYS A 115 0.846 35.804 44.529 1.00 51.19 C ATOM 1565 CE LYS A 115 -0.254 34.767 44.329 1.00 54.21 C ATOM 1566 NZ LYS A 115 -1.386 35.272 43.497 1.00 55.59 N ATOM 1567 HA LYS A 115 4.738 34.690 45.697 1.00 0.00 H ATOM 1568 HB2 LYS A 115 2.870 37.093 45.810 1.00 0.00 H ATOM 1569 HB3 LYS A 115 3.540 36.390 44.318 1.00 0.00 H ATOM 1570 HG2 LYS A 115 2.358 34.299 44.743 1.00 0.00 H ATOM 1571 HG3 LYS A 115 1.734 34.943 46.280 1.00 0.00 H ATOM 1572 HD2 LYS A 115 0.450 36.636 45.111 1.00 0.00 H ATOM 1573 HD3 LYS A 115 1.175 36.168 43.555 1.00 0.00 H ATOM 1574 HE2 LYS A 115 -0.642 34.479 45.306 1.00 0.00 H ATOM 1575 HE3 LYS A 115 0.176 33.894 43.838 1.00 0.00 H ATOM 1576 HZ1 LYS A 115 -1.812 36.101 43.959 1.00 0.00 H ATOM 1577 HZ2 LYS A 115 -1.031 35.542 42.558 1.00 0.00 H ATOM 1578 HZ3 LYS A 115 -2.101 34.524 43.396 1.00 0.00 H ATOM 1579 H LYS A 115 3.054 35.640 47.812 1.00 0.00 H ATOM 1580 N LYS A 116 5.655 37.532 46.995 1.00 34.11 N ATOM 1581 CA LYS A 116 6.710 38.545 46.991 1.00 35.36 C ATOM 1582 C LYS A 116 8.125 37.997 47.104 1.00 33.77 C ATOM 1583 O LYS A 116 9.088 38.721 46.855 1.00 33.71 O ATOM 1584 CB LYS A 116 6.476 39.576 48.102 1.00 36.69 C ATOM 1585 CG LYS A 116 6.581 39.033 49.518 1.00 40.71 C ATOM 1586 CD LYS A 116 6.580 40.177 50.526 1.00 44.48 C ATOM 1587 CE LYS A 116 6.749 39.675 51.944 1.00 45.22 C ATOM 1588 NZ LYS A 116 5.632 38.775 52.342 1.00 49.54 N ATOM 1589 HA LYS A 116 6.641 39.012 46.008 1.00 0.00 H ATOM 1590 HB2 LYS A 116 7.215 40.369 47.988 1.00 0.00 H ATOM 1591 HB3 LYS A 116 5.477 39.991 47.973 1.00 0.00 H ATOM 1592 HG2 LYS A 116 5.732 38.378 49.716 1.00 0.00 H ATOM 1593 HG3 LYS A 116 7.507 38.466 49.618 1.00 0.00 H ATOM 1594 HD2 LYS A 116 7.400 40.856 50.291 1.00 0.00 H ATOM 1595 HD3 LYS A 116 5.634 40.713 50.451 1.00 0.00 H ATOM 1596 HE2 LYS A 116 6.775 40.529 52.621 1.00 0.00 H ATOM 1597 HE3 LYS A 116 7.688 39.127 52.016 1.00 0.00 H ATOM 1598 HZ1 LYS A 116 4.732 39.293 52.281 1.00 0.00 H ATOM 1599 HZ2 LYS A 116 5.605 37.955 51.703 1.00 0.00 H ATOM 1600 HZ3 LYS A 116 5.781 38.451 53.319 1.00 0.00 H ATOM 1601 H LYS A 116 4.954 37.529 47.764 1.00 0.00 H ATOM 1602 N TYR A 117 8.255 36.727 47.475 1.00 33.44 N ATOM 1603 CA TYR A 117 9.574 36.114 47.602 1.00 30.74 C ATOM 1604 C TYR A 117 9.963 35.333 46.354 1.00 29.55 C ATOM 1605 O TYR A 117 11.047 34.749 46.283 1.00 26.44 O ATOM 1606 CB TYR A 117 9.628 35.216 48.842 1.00 32.38 C ATOM 1607 CG TYR A 117 9.564 35.998 50.141 1.00 31.54 C ATOM 1608 CD1 TYR A 117 10.370 37.123 50.334 1.00 33.50 C ATOM 1609 CD2 TYR A 117 8.717 35.610 51.177 1.00 31.63 C ATOM 1610 CE1 TYR A 117 10.335 37.844 51.524 1.00 35.92 C ATOM 1611 CE2 TYR A 117 8.674 36.325 52.381 1.00 34.96 C ATOM 1612 CZ TYR A 117 9.487 37.441 52.543 1.00 35.25 C ATOM 1613 OH TYR A 117 9.469 38.152 53.720 1.00 37.23 O ATOM 1614 HA TYR A 117 10.300 36.919 47.717 1.00 0.00 H ATOM 1615 HB3 TYR A 117 10.560 34.650 48.822 1.00 0.00 H ATOM 1616 HB2 TYR A 117 8.785 34.526 48.809 1.00 0.00 H ATOM 1617 HD2 TYR A 117 8.078 34.736 51.049 1.00 0.00 H ATOM 1618 HE2 TYR A 117 8.008 36.009 53.184 1.00 0.00 H ATOM 1619 HE1 TYR A 117 10.971 38.720 51.653 1.00 0.00 H ATOM 1620 HD1 TYR A 117 11.040 37.443 49.536 1.00 0.00 H ATOM 1621 HH TYR A 117 8.556 38.500 53.880 1.00 0.00 H ATOM 1622 H TYR A 117 7.405 36.162 47.678 1.00 0.00 H ATOM 1623 N MET A 118 9.071 35.319 45.369 1.00 28.31 N ATOM 1624 CA MET A 118 9.351 34.646 44.108 1.00 29.47 C ATOM 1625 C MET A 118 10.312 35.543 43.318 1.00 28.81 C ATOM 1626 O MET A 118 10.279 36.769 43.461 1.00 29.29 O ATOM 1627 CB MET A 118 8.057 34.439 43.315 1.00 28.56 C ATOM 1628 CG MET A 118 7.050 33.519 43.990 1.00 31.40 C ATOM 1629 SD MET A 118 5.628 33.189 42.920 1.00 35.25 S ATOM 1630 CE MET A 118 6.405 32.250 41.630 1.00 29.22 C ATOM 1631 HA MET A 118 9.792 33.666 44.288 1.00 0.00 H ATOM 1632 HB2 MET A 118 7.587 35.411 43.168 1.00 0.00 H ATOM 1633 HB3 MET A 118 8.315 34.011 42.346 1.00 0.00 H ATOM 1634 HG2 MET A 118 6.700 33.990 44.909 1.00 0.00 H ATOM 1635 HG3 MET A 118 7.539 32.575 44.231 1.00 0.00 H ATOM 1636 HE1 MET A 118 7.179 32.855 41.158 1.00 0.00 H ATOM 1637 HE2 MET A 118 6.853 31.352 42.055 1.00 0.00 H ATOM 1638 HE3 MET A 118 5.659 31.969 40.887 1.00 0.00 H ATOM 1639 H MET A 118 8.157 35.797 45.501 1.00 0.00 H ATOM 1640 N LEU A 119 11.166 34.933 42.500 1.00 29.26 N ATOM 1641 CA LEU A 119 12.137 35.671 41.693 1.00 29.61 C ATOM 1642 C LEU A 119 12.981 36.590 42.580 1.00 29.11 C ATOM 1643 O LEU A 119 13.368 37.681 42.172 1.00 28.41 O ATOM 1644 CB LEU A 119 11.413 36.491 40.611 1.00 32.94 C ATOM 1645 CG LEU A 119 10.583 35.704 39.578 1.00 35.88 C ATOM 1646 CD1 LEU A 119 9.784 36.656 38.707 1.00 36.74 C ATOM 1647 CD2 LEU A 119 11.494 34.851 38.722 1.00 35.71 C ATOM 1648 HA LEU A 119 12.800 34.956 41.206 1.00 0.00 H ATOM 1649 HB2 LEU A 119 10.739 37.182 41.117 1.00 0.00 H ATOM 1650 HB3 LEU A 119 12.169 37.056 40.065 1.00 0.00 H ATOM 1651 HG LEU A 119 9.888 35.054 40.109 1.00 0.00 H ATOM 1652 HD21 LEU A 119 12.204 35.492 38.199 1.00 0.00 H ATOM 1653 HD22 LEU A 119 12.035 34.150 39.357 1.00 0.00 H ATOM 1654 HD23 LEU A 119 10.897 34.300 37.996 1.00 0.00 H ATOM 1655 HD11 LEU A 119 9.111 37.241 39.333 1.00 0.00 H ATOM 1656 HD12 LEU A 119 10.466 37.324 38.181 1.00 0.00 H ATOM 1657 HD13 LEU A 119 9.204 36.084 37.983 1.00 0.00 H ATOM 1658 H LEU A 119 11.142 33.895 42.432 1.00 0.00 H ATOM 1659 N TYR A 120 13.278 36.121 43.789 1.00 29.45 N ATOM 1660 CA TYR A 120 14.050 36.885 44.770 1.00 29.43 C ATOM 1661 C TYR A 120 15.510 37.107 44.356 1.00 31.15 C ATOM 1662 O TYR A 120 16.235 36.152 44.071 1.00 31.50 O ATOM 1663 CB TYR A 120 14.012 36.168 46.125 1.00 27.55 C ATOM 1664 CG TYR A 120 14.290 37.071 47.298 1.00 29.02 C ATOM 1665 CD1 TYR A 120 13.320 37.962 47.760 1.00 28.44 C ATOM 1666 CD2 TYR A 120 15.526 37.053 47.938 1.00 27.72 C ATOM 1667 CE1 TYR A 120 13.572 38.812 48.830 1.00 29.58 C ATOM 1668 CE2 TYR A 120 15.793 37.902 49.010 1.00 27.86 C ATOM 1669 CZ TYR A 120 14.814 38.777 49.449 1.00 29.22 C ATOM 1670 OH TYR A 120 15.074 39.628 50.495 1.00 28.86 O ATOM 1671 HA TYR A 120 13.585 37.868 44.836 1.00 0.00 H ATOM 1672 HB3 TYR A 120 14.760 35.375 46.116 1.00 0.00 H ATOM 1673 HB2 TYR A 120 13.022 35.730 46.255 1.00 0.00 H ATOM 1674 HD2 TYR A 120 16.297 36.364 47.595 1.00 0.00 H ATOM 1675 HE2 TYR A 120 16.766 37.877 49.500 1.00 0.00 H ATOM 1676 HE1 TYR A 120 12.802 39.500 49.180 1.00 0.00 H ATOM 1677 HD1 TYR A 120 12.346 37.992 47.272 1.00 0.00 H ATOM 1678 HH TYR A 120 15.302 39.099 51.300 1.00 0.00 H ATOM 1679 H TYR A 120 12.947 35.170 44.048 1.00 0.00 H ATOM 1680 N PRO A 121 15.959 38.376 44.322 1.00 31.22 N ATOM 1681 CA PRO A 121 17.331 38.747 43.947 1.00 32.16 C ATOM 1682 C PRO A 121 18.340 38.204 44.961 1.00 33.79 C ATOM 1683 O PRO A 121 18.233 38.480 46.153 1.00 30.98 O ATOM 1684 CB PRO A 121 17.293 40.275 43.951 1.00 31.77 C ATOM 1685 CG PRO A 121 15.852 40.598 43.707 1.00 31.36 C ATOM 1686 CD PRO A 121 15.140 39.579 44.545 1.00 31.69 C ATOM 1687 HA PRO A 121 17.643 38.337 42.986 1.00 0.00 H ATOM 1688 HD3 PRO A 121 15.133 39.865 45.597 1.00 0.00 H ATOM 1689 HD2 PRO A 121 14.116 39.430 44.204 1.00 0.00 H ATOM 1690 HG3 PRO A 121 15.597 40.488 42.653 1.00 0.00 H ATOM 1691 HG2 PRO A 121 15.615 41.611 44.033 1.00 0.00 H ATOM 1692 HB2 PRO A 121 17.622 40.669 44.912 1.00 0.00 H ATOM 1693 HB3 PRO A 121 17.922 40.681 43.159 1.00 0.00 H ATOM 1694 N ASP A 122 19.327 37.452 44.484 1.00 35.98 N ATOM 1695 CA ASP A 122 20.324 36.862 45.370 1.00 38.83 C ATOM 1696 C ASP A 122 21.166 37.884 46.129 1.00 37.41 C ATOM 1697 O ASP A 122 21.625 37.603 47.236 1.00 34.40 O ATOM 1698 CB ASP A 122 21.249 35.926 44.584 1.00 44.39 C ATOM 1699 CG ASP A 122 22.580 36.570 44.247 1.00 50.84 C ATOM 1700 OD1 ASP A 122 22.612 37.491 43.399 1.00 55.10 O ATOM 1701 OD2 ASP A 122 23.597 36.158 44.843 1.00 54.10 O ATOM 1702 HA ASP A 122 19.758 36.306 46.117 1.00 0.00 H ATOM 1703 HB2 ASP A 122 21.434 35.034 45.182 1.00 0.00 H ATOM 1704 HB3 ASP A 122 20.753 35.643 43.656 1.00 0.00 H ATOM 1705 H ASP A 122 19.389 37.281 43.460 1.00 0.00 H ATOM 1706 N PHE A 124 21.369 39.067 45.552 1.00 36.27 N ATOM 1707 CA PHE A 124 22.181 40.068 46.237 1.00 34.56 C ATOM 1708 C PHE A 124 21.538 40.514 47.543 1.00 33.41 C ATOM 1709 O PHE A 124 22.218 41.036 48.421 1.00 33.09 O ATOM 1710 CB PHE A 124 22.475 41.284 45.335 1.00 34.88 C ATOM 1711 CG PHE A 124 21.340 42.271 45.219 1.00 33.41 C ATOM 1712 CD1 PHE A 124 20.362 42.124 44.236 1.00 32.08 C ATOM 1713 CD2 PHE A 124 21.264 43.361 46.080 1.00 31.13 C ATOM 1714 CE1 PHE A 124 19.324 43.051 44.112 1.00 32.76 C ATOM 1715 CE2 PHE A 124 20.233 44.295 45.968 1.00 32.09 C ATOM 1716 CZ PHE A 124 19.259 44.144 44.982 1.00 31.58 C ATOM 1717 HA PHE A 124 23.132 39.591 46.474 1.00 0.00 H ATOM 1718 HB2 PHE A 124 23.340 41.807 45.741 1.00 0.00 H ATOM 1719 HB3 PHE A 124 22.710 40.917 44.336 1.00 0.00 H ATOM 1720 HD2 PHE A 124 22.021 43.488 46.854 1.00 0.00 H ATOM 1721 HE2 PHE A 124 20.189 45.143 46.652 1.00 0.00 H ATOM 1722 HZ PHE A 124 18.453 44.872 44.890 1.00 0.00 H ATOM 1723 HE1 PHE A 124 18.566 42.923 43.339 1.00 0.00 H ATOM 1724 HD1 PHE A 124 20.408 41.274 43.555 1.00 0.00 H ATOM 1725 H PHE A 124 20.953 39.276 44.622 1.00 0.00 H ATOM 1726 N LEU A 125 20.234 40.291 47.684 1.00 31.13 N ATOM 1727 CA LEU A 125 19.538 40.669 48.912 1.00 31.79 C ATOM 1728 C LEU A 125 19.792 39.648 50.020 1.00 32.99 C ATOM 1729 O LEU A 125 19.279 39.788 51.126 1.00 33.20 O ATOM 1730 CB LEU A 125 18.026 40.797 48.666 1.00 29.32 C ATOM 1731 CG LEU A 125 17.568 41.916 47.724 1.00 27.30 C ATOM 1732 CD1 LEU A 125 16.053 41.899 47.632 1.00 25.22 C ATOM 1733 CD2 LEU A 125 18.064 43.272 48.245 1.00 27.02 C ATOM 1734 HA LEU A 125 19.929 41.636 49.228 1.00 0.00 H ATOM 1735 HB2 LEU A 125 17.679 39.852 48.248 1.00 0.00 H ATOM 1736 HB3 LEU A 125 17.548 40.963 49.631 1.00 0.00 H ATOM 1737 HG LEU A 125 17.987 41.758 46.730 1.00 0.00 H ATOM 1738 HD21 LEU A 125 17.656 43.449 49.240 1.00 0.00 H ATOM 1739 HD22 LEU A 125 19.153 43.265 48.294 1.00 0.00 H ATOM 1740 HD23 LEU A 125 17.734 44.062 47.570 1.00 0.00 H ATOM 1741 HD11 LEU A 125 15.725 40.935 47.244 1.00 0.00 H ATOM 1742 HD12 LEU A 125 15.628 42.057 48.623 1.00 0.00 H ATOM 1743 HD13 LEU A 125 15.722 42.693 46.963 1.00 0.00 H ATOM 1744 H LEU A 125 19.703 39.842 46.910 1.00 0.00 H ATOM 1745 N CYS A 126 20.579 38.618 49.711 1.00 34.36 N ATOM 1746 CA CYS A 126 20.911 37.579 50.687 1.00 36.72 C ATOM 1747 C CYS A 126 22.417 37.551 50.947 1.00 39.13 C ATOM 1748 O CYS A 126 23.202 37.199 50.063 1.00 38.02 O ATOM 1749 CB CYS A 126 20.488 36.200 50.180 1.00 34.83 C ATOM 1750 SG CYS A 126 18.772 36.082 49.595 1.00 29.83 S ATOM 1751 HA CYS A 126 20.376 37.813 51.607 1.00 0.00 H ATOM 1752 HB2 CYS A 126 20.616 35.487 50.995 1.00 0.00 H ATOM 1753 HB3 CYS A 126 21.145 35.928 49.354 1.00 0.00 H ATOM 1754 H CYS A 126 20.968 38.550 48.749 1.00 0.00 H ATOM 1755 N LYS A 127 22.810 37.910 52.165 1.00 43.39 N ATOM 1756 CA LYS A 127 24.219 37.915 52.541 1.00 47.41 C ATOM 1757 C LYS A 127 24.439 37.353 53.941 1.00 48.15 C ATOM 1758 O LYS A 127 23.606 37.525 54.837 1.00 47.99 O ATOM 1759 CB LYS A 127 24.790 39.336 52.442 1.00 49.23 C ATOM 1760 CG LYS A 127 24.812 39.877 51.018 1.00 53.41 C ATOM 1761 CD LYS A 127 25.507 38.893 50.081 1.00 56.27 C ATOM 1762 CE LYS A 127 25.251 39.227 48.619 1.00 59.14 C ATOM 1763 NZ LYS A 127 25.691 38.122 47.716 1.00 60.26 N ATOM 1764 HA LYS A 127 24.746 37.266 51.842 1.00 0.00 H ATOM 1765 HB2 LYS A 127 24.179 39.999 53.055 1.00 0.00 H ATOM 1766 HB3 LYS A 127 25.810 39.327 52.825 1.00 0.00 H ATOM 1767 HG2 LYS A 127 23.788 40.034 50.678 1.00 0.00 H ATOM 1768 HG3 LYS A 127 25.348 40.826 51.003 1.00 0.00 H ATOM 1769 HD2 LYS A 127 26.580 38.926 50.268 1.00 0.00 H ATOM 1770 HD3 LYS A 127 25.135 37.889 50.284 1.00 0.00 H ATOM 1771 HE2 LYS A 127 25.799 40.133 48.362 1.00 0.00 H ATOM 1772 HE3 LYS A 127 24.184 39.397 48.476 1.00 0.00 H ATOM 1773 HZ1 LYS A 127 26.710 37.958 47.842 1.00 0.00 H ATOM 1774 HZ2 LYS A 127 25.168 37.255 47.951 1.00 0.00 H ATOM 1775 HZ3 LYS A 127 25.500 38.386 46.728 1.00 0.00 H ATOM 1776 H LYS A 127 22.096 38.194 52.866 1.00 0.00 H ATOM 1777 N GLY A 128 25.570 36.678 54.118 1.00 49.60 N ATOM 1778 CA GLY A 128 25.889 36.088 55.405 1.00 52.16 C ATOM 1779 C GLY A 128 25.745 34.579 55.372 1.00 54.60 C ATOM 1780 O GLY A 128 24.792 34.047 54.802 1.00 52.33 O ATOM 1781 HA3 GLY A 128 25.213 36.493 56.158 1.00 0.00 H ATOM 1782 HA2 GLY A 128 26.916 36.341 55.667 1.00 0.00 H ATOM 1783 H GLY A 128 26.234 36.571 53.325 1.00 0.00 H ATOM 1784 N GLU A 129 26.697 33.877 55.974 1.00 57.41 N ATOM 1785 CA GLU A 129 26.639 32.426 55.998 1.00 60.31 C ATOM 1786 C GLU A 129 25.887 31.973 57.238 1.00 60.49 C ATOM 1787 O GLU A 129 26.149 32.446 58.346 1.00 61.14 O ATOM 1788 CB GLU A 129 28.050 31.832 55.989 1.00 63.44 C ATOM 1789 CG GLU A 129 28.092 30.310 55.895 1.00 67.86 C ATOM 1790 CD GLU A 129 27.360 29.771 54.676 1.00 70.69 C ATOM 1791 OE1 GLU A 129 27.616 30.264 53.556 1.00 72.50 O ATOM 1792 OE2 GLU A 129 26.535 28.845 54.837 1.00 71.95 O ATOM 1793 HA GLU A 129 26.116 32.075 55.108 1.00 0.00 H ATOM 1794 HB2 GLU A 129 28.587 32.242 55.134 1.00 0.00 H ATOM 1795 HB3 GLU A 129 28.552 32.131 56.909 1.00 0.00 H ATOM 1796 HG2 GLU A 129 29.134 29.993 55.844 1.00 0.00 H ATOM 1797 HG3 GLU A 129 27.631 29.893 56.790 1.00 0.00 H ATOM 1798 H GLU A 129 27.490 34.370 56.432 1.00 0.00 H ATOM 1799 N LEU A 130 24.931 31.072 57.033 1.00 59.69 N ATOM 1800 CA LEU A 130 24.129 30.521 58.113 1.00 58.23 C ATOM 1801 C LEU A 130 24.473 29.041 58.198 1.00 58.10 C ATOM 1802 O LEU A 130 23.952 28.228 57.436 1.00 58.35 O ATOM 1803 CB LEU A 130 22.642 30.696 57.811 1.00 57.93 C ATOM 1804 CG LEU A 130 21.687 30.099 58.844 1.00 58.84 C ATOM 1805 CD1 LEU A 130 21.978 30.695 60.208 1.00 59.32 C ATOM 1806 CD2 LEU A 130 20.250 30.370 58.435 1.00 59.56 C ATOM 1807 HA LEU A 130 24.337 31.030 59.054 1.00 0.00 H ATOM 1808 HB2 LEU A 130 22.437 31.764 57.741 1.00 0.00 H ATOM 1809 HB3 LEU A 130 22.436 30.224 56.850 1.00 0.00 H ATOM 1810 HG LEU A 130 21.832 29.020 58.896 1.00 0.00 H ATOM 1811 HD21 LEU A 130 20.088 31.446 58.374 1.00 0.00 H ATOM 1812 HD22 LEU A 130 20.059 29.916 57.463 1.00 0.00 H ATOM 1813 HD23 LEU A 130 19.576 29.941 59.176 1.00 0.00 H ATOM 1814 HD11 LEU A 130 23.006 30.469 60.490 1.00 0.00 H ATOM 1815 HD12 LEU A 130 21.840 31.776 60.168 1.00 0.00 H ATOM 1816 HD13 LEU A 130 21.296 30.268 60.943 1.00 0.00 H ATOM 1817 H LEU A 130 24.750 30.749 56.061 1.00 0.00 H ATOM 1818 N LYS A 131 25.362 28.703 59.125 1.00 56.84 N ATOM 1819 CA LYS A 131 25.818 27.330 59.308 1.00 55.16 C ATOM 1820 C LYS A 131 24.731 26.313 59.664 1.00 52.23 C ATOM 1821 O LYS A 131 23.821 26.595 60.451 1.00 50.00 O ATOM 1822 CB LYS A 131 26.936 27.310 60.357 1.00 57.67 C ATOM 1823 CG LYS A 131 28.277 27.787 59.807 1.00 61.18 C ATOM 1824 CD LYS A 131 29.205 28.294 60.903 1.00 62.69 C ATOM 1825 CE LYS A 131 28.877 29.732 61.297 1.00 64.01 C ATOM 1826 NZ LYS A 131 29.111 30.702 60.181 1.00 63.62 N ATOM 1827 HA LYS A 131 26.180 27.005 58.333 1.00 0.00 H ATOM 1828 HB2 LYS A 131 26.649 27.959 61.184 1.00 0.00 H ATOM 1829 HB3 LYS A 131 27.053 26.289 60.721 1.00 0.00 H ATOM 1830 HG2 LYS A 131 28.761 26.956 59.294 1.00 0.00 H ATOM 1831 HG3 LYS A 131 28.098 28.595 59.098 1.00 0.00 H ATOM 1832 HD2 LYS A 131 29.100 27.654 61.779 1.00 0.00 H ATOM 1833 HD3 LYS A 131 30.233 28.251 60.544 1.00 0.00 H ATOM 1834 HE2 LYS A 131 29.504 30.014 62.143 1.00 0.00 H ATOM 1835 HE3 LYS A 131 27.829 29.783 61.591 1.00 0.00 H ATOM 1836 HZ1 LYS A 131 30.111 30.668 59.898 1.00 0.00 H ATOM 1837 HZ2 LYS A 131 28.511 30.447 59.371 1.00 0.00 H ATOM 1838 HZ3 LYS A 131 28.873 31.662 60.502 1.00 0.00 H ATOM 1839 H LYS A 131 25.747 29.445 59.743 1.00 0.00 H ATOM 1840 N CYS A 133 24.843 25.128 59.065 1.00 47.57 N ATOM 1841 CA CYS A 133 23.898 24.034 59.287 1.00 44.93 C ATOM 1842 C CYS A 133 24.043 23.414 60.670 1.00 45.67 C ATOM 1843 O CYS A 133 23.027 23.324 61.395 1.00 46.77 O ATOM 1844 CB CYS A 133 24.098 22.941 58.239 1.00 39.00 C ATOM 1845 SG CYS A 133 23.533 23.360 56.563 1.00 32.67 S ATOM 1846 HA CYS A 133 22.899 24.463 59.206 1.00 0.00 H ATOM 1847 OXT CYS A 133 25.177 23.010 61.001 1.00 48.84 O ATOM 1848 HB2 CYS A 133 23.553 22.056 58.567 1.00 0.00 H ATOM 1849 HB3 CYS A 133 25.163 22.713 58.189 1.00 0.00 H ATOM 1850 H CYS A 133 25.637 24.974 58.411 1.00 0.00 H TER 1851 CYS A 133 HETATM 1852 O HOH 1 15.027 18.097 53.717 1.00 22.80 O HETATM 1853 O HOH 2 5.191 26.307 50.716 1.00 22.87 O HETATM 1854 O HOH 3 6.409 30.268 54.016 1.00 27.22 O HETATM 1855 O HOH 4 13.323 20.385 54.373 1.00 23.62 O HETATM 1856 O HOH 5 -3.102 2.485 50.452 1.00 56.96 O HETATM 1857 O HOH 6 12.496 12.294 55.548 1.00 27.00 O HETATM 1858 O HOH 7 16.970 14.240 44.415 1.00 26.71 O HETATM 1859 O HOH 8 10.300 18.229 57.092 1.00 40.50 O HETATM 1860 O HOH 9 24.792 15.415 42.616 1.00 48.67 O HETATM 1861 O HOH 10 12.366 29.815 38.205 1.00 34.31 O HETATM 1862 O HOH 11 18.757 30.136 46.191 1.00 39.55 O HETATM 1863 O HOH 12 8.444 35.356 57.649 1.00 72.65 O HETATM 1864 O HOH 13 -1.771 24.847 45.881 1.00 47.68 O HETATM 1865 O HOH 14 15.751 33.569 42.987 1.00 43.94 O HETATM 1866 O HOH 15 22.856 26.468 51.319 1.00 49.06 O HETATM 1867 O HOH 16 28.228 15.101 57.159 1.00 32.94 O HETATM 1868 O HOH 17 20.694 34.414 60.584 1.00 49.35 O HETATM 1869 O HOH 18 21.140 33.133 48.996 1.00 41.93 O HETATM 1870 O HOH 19 3.120 29.600 43.262 1.00 40.48 O HETATM 1871 O HOH 20 10.216 9.072 56.319 1.00 32.78 O HETATM 1872 O HOH 21 9.767 31.307 43.208 1.00 42.70 O HETATM 1873 O HOH 22 23.806 21.060 50.013 1.00 46.22 O HETATM 1874 O HOH 23 14.141 32.410 58.788 1.00 40.73 O HETATM 1875 O HOH 24 3.524 12.035 52.836 1.00 60.79 O HETATM 1876 O HOH 25 11.238 38.814 45.119 1.00 47.50 O HETATM 1877 O HOH 26 18.150 41.996 52.568 1.00 39.73 O HETATM 1878 O HOH 27 9.900 6.655 53.556 1.00 38.70 O HETATM 1879 O HOH 28 5.269 34.744 57.160 1.00 62.59 O HETATM 1880 O HOH 29 1.556 17.363 59.162 1.00 54.26 O HETATM 1881 O HOH 30 22.793 42.542 50.713 1.00 54.56 O HETATM 1882 O HOH 31 2.874 38.317 48.523 1.00 40.30 O HETATM 1883 O HOH 32 25.379 30.797 46.998 1.00 53.62 O HETATM 1884 O HOH 33 24.693 3.800 48.292 1.00 40.42 O HETATM 1885 O HOH 34 16.310 30.280 40.099 1.00 48.45 O HETATM 1886 O HOH 35 7.458 37.693 55.682 1.00 56.29 O HETATM 1887 O HOH 36 12.642 7.312 38.276 1.00 99.79 O HETATM 1888 O HOH 37 8.120 18.997 58.986 1.00 44.94 O HETATM 1889 O HOH 38 16.161 31.755 45.559 1.00 40.82 O HETATM 1890 O HOH 39 15.448 3.617 44.831 1.00 52.94 O HETATM 1891 O HOH 40 15.095 4.544 54.902 1.00 45.27 O HETATM 1892 O HOH 41 24.585 10.486 55.362 1.00 35.32 O HETATM 1893 O HOH 42 20.667 7.122 38.756 1.00 78.18 O HETATM 1894 O HOH 43 29.453 30.986 46.215 1.00 82.41 O HETATM 1895 O HOH 44 10.210 31.183 39.581 1.00 39.10 O HETATM 1896 O HOH 45 25.787 27.589 52.432 1.00 66.51 O HETATM 1897 O HOH 46 8.771 38.960 43.050 1.00 58.40 O HETATM 1898 O HOH 47 18.084 34.760 45.952 1.00 40.16 O HETATM 1899 O HOH 48 26.048 39.882 44.882 1.00 55.53 O HETATM 1900 O HOH 49 0.053 30.400 46.790 1.00 52.87 O HETATM 1901 O HOH 50 18.236 37.554 54.578 1.00 44.43 O HETATM 1902 O HOH 51 6.239 9.523 56.958 1.00 53.33 O HETATM 1903 O HOH 52 8.476 6.609 41.728 1.00 65.85 O HETATM 1904 O HOH 53 28.560 36.975 51.758 1.00 83.56 O HETATM 1905 O HOH 54 18.871 30.104 42.018 1.00 43.68 O HETATM 1906 O HOH 55 29.441 18.219 52.318 1.00 54.04 O HETATM 1907 O HOH 56 2.386 25.638 39.853 1.00 57.17 O HETATM 1908 O HOH 57 6.031 34.405 54.065 1.00 31.67 O HETATM 1909 O HOH 58 0.405 33.372 48.002 1.00 68.12 O HETATM 1910 O HOH 59 8.507 41.305 45.411 1.00 53.03 O HETATM 1911 O HOH 60 27.364 15.363 47.336 1.00 40.19 O HETATM 1912 O HOH 61 -2.234 15.380 49.713 1.00 60.59 O HETATM 1913 O HOH 62 -5.707 3.406 56.364 1.00 73.05 O HETATM 1914 O HOH 63 14.436 0.548 44.088 1.00 65.14 O HETATM 1915 O HOH 64 16.750 39.263 52.494 1.00 56.49 O HETATM 1916 O HOH 65 20.869 39.003 53.578 1.00 42.59 O HETATM 1917 O HOH 66 6.675 38.189 40.857 1.00 49.09 O HETATM 1918 O HOH 67 4.008 11.535 55.974 1.00 54.76 O HETATM 1919 O HOH 68 10.142 6.559 58.155 1.00 44.65 O HETATM 1920 O HOH 69 3.925 28.467 57.614 1.00 31.02 O HETATM 1921 O HOH 70 15.770 16.823 56.231 1.00 28.43 O HETATM 1922 O HOH 71 12.320 20.381 57.095 1.00 32.23 O HETATM 1923 O HOH 72 30.606 16.691 54.852 1.00 56.36 O HETATM 1924 O HOH 73 12.340 23.465 57.783 1.00 41.58 O HETATM 1925 O HOH 74 26.390 4.988 45.970 1.00 62.54 O HETATM 1926 O HOH 75 23.185 9.048 57.424 1.00 45.93 O HETATM 1927 O HOH 76 33.182 14.935 55.299 1.00 46.96 O HETATM 1928 O HOH 77 13.378 24.594 60.279 1.00 35.11 O HETATM 1929 O HOH 78 20.988 7.235 57.557 1.00 41.77 O HETATM 1930 O HOH 79 23.580 5.161 44.374 1.00 51.02 O HETATM 1931 O HOH 80 4.093 5.575 54.585 1.00 77.61 O HETATM 1932 O HOH 81 6.810 31.936 57.636 1.00 36.90 O HETATM 1933 O HOH 82 26.258 17.623 49.081 1.00 67.39 O HETATM 1934 O HOH 83 -2.287 37.483 45.462 1.00 75.91 O HETATM 1935 O HOH 84 22.942 45.330 49.067 1.00 39.85 O HETATM 1936 O HOH 85 20.740 39.167 42.866 1.00 51.32 O HETATM 1937 O HOH 86 30.924 33.981 52.595 1.00 70.66 O HETATM 1938 O HOH 87 11.331 40.196 41.326 1.00 67.80 O HETATM 1939 O HOH 88 -0.934 34.055 56.701 1.00 59.74 O HETATM 1940 O HOH 89 17.224 28.110 59.608 1.00 48.66 O HETATM 1941 O HOH 90 19.981 4.639 53.465 1.00 33.19 O HETATM 1942 O HOH 91 8.927 4.742 55.700 1.00 61.24 O HETATM 1943 O HOH 92 -1.336 18.294 49.497 1.00 51.62 O HETATM 1944 O HOH 93 28.365 31.870 51.458 1.00 66.74 O HETATM 1945 O HOH 94 23.438 35.966 58.233 1.00 76.05 O HETATM 1946 O HOH 95 2.691 40.211 45.990 1.00 54.00 O HETATM 1947 O HOH 96 18.400 10.410 34.761 1.00 70.80 O HETATM 1948 O HOH 97 14.896 5.088 47.542 1.00 55.50 O HETATM 1949 O HOH 98 3.474 37.594 41.804 1.00 54.44 O HETATM 1950 O HOH 99 25.882 30.908 61.780 1.00 45.68 O HETATM 1951 O HOH 100 20.189 26.283 47.512 1.00 42.64 O HETATM 1952 O HOH 101 0.868 14.935 40.400 1.00 67.25 O HETATM 1953 O HOH 102 23.229 32.330 63.445 1.00 70.71 O HETATM 1954 O HOH 103 6.987 19.740 39.981 1.00 32.86 O HETATM 1955 O HOH 104 3.923 13.500 38.453 1.00 76.89 O HETATM 1956 O HOH 105 -2.647 19.966 40.494 1.00 68.90 O HETATM 1957 O HOH 106 24.551 0.460 48.721 1.00 54.98 O HETATM 1958 O HOH 107 27.649 10.393 38.961 1.00 78.55 O HETATM 1959 O HOH 108 13.046 21.354 61.161 1.00 64.39 O HETATM 1960 O HOH 109 27.164 11.081 54.093 1.00 50.85 O HETATM 1961 O HOH 110 30.434 16.313 46.803 1.00 81.95 O HETATM 1962 O HOH 111 -3.659 18.561 43.487 1.00 60.61 O HETATM 1963 O HOH 112 17.297 17.336 43.685 1.00 60.47 O HETATM 1964 O HOH 113 24.130 29.790 54.324 1.00 40.38 O HETATM 1965 O HOH 114 16.453 30.881 60.474 1.00 48.15 O HETATM 1966 O HOH 115 14.038 31.538 62.865 1.00 53.06 O HETATM 1967 O HOH 116 9.021 33.212 60.389 1.00 80.94 O HETATM 1968 O HOH 117 6.758 29.112 61.630 1.00 47.86 O HETATM 1969 O HOH 118 16.465 25.216 60.081 1.00 55.28 O HETATM 1970 O HOH 119 0.787 39.425 43.187 1.00 56.53 O HETATM 1971 O HOH 120 16.980 39.489 57.291 1.00 58.87 O HETATM 1972 O HOH 121 4.444 8.249 42.868 1.00 73.06 O HETATM 1973 O HOH 122 14.408 41.892 54.275 1.00 58.37 O HETATM 1974 O HOH 123 18.214 44.246 58.119 1.00 84.79 O HETATM 1975 O HOH 124 26.973 3.859 54.103 1.00 67.96 O HETATM 1976 O HOH 125 30.853 5.845 44.313 1.00 67.90 O HETATM 1977 O HOH 126 25.375 7.003 57.778 1.00 79.69 O HETATM 1978 O HOH 127 27.816 15.647 43.646 1.00 65.83 O HETATM 1979 O HOH 128 15.208 3.539 39.449 1.00 75.79 O HETATM 1980 O HOH 129 4.952 30.555 59.660 1.00 57.77 O HETATM 1981 O HOH 130 0.019 22.713 58.172 1.00 98.00 O HETATM 1982 O HOH 131 18.568 32.629 61.792 1.00 61.47 O HETATM 1983 O HOH 132 6.530 3.282 42.335 1.00 65.63 O HETATM 1984 O HOH 133 -2.133 27.488 47.931 1.00 76.76 O HETATM 1985 O HOH 134 17.198 42.299 55.758 1.00 76.91 O HETATM 1986 O HOH 135 24.280 9.049 44.997 1.00 41.28 O HETATM 1987 O HOH 136 -2.321 17.398 52.825 1.00 55.45 O HETATM 1988 O HOH 137 22.359 25.262 54.038 1.00 47.28 O HETATM 1989 O HOH 138 20.923 26.889 61.491 1.00 85.50 O HETATM 1990 O HOH 139 14.158 3.816 57.941 1.00 49.72 O HETATM 1991 O HOH 140 -0.209 36.388 48.552 1.00 64.67 O HETATM 1992 O HOH 141 -0.943 16.941 42.960 1.00 48.78 O HETATM 1993 O HOH 142 24.689 45.374 46.406 1.00 45.64 O HETATM 1994 O HOH 143 20.324 20.664 45.003 1.00 80.54 O HETATM 1995 O HOH 144 17.204 21.038 45.626 1.00 59.27 O HETATM 1996 N LEU A 145 9.906 15.770 37.393 1.00 0.24 N HETATM 1997 CA LEU A 145 9.023 16.960 37.495 1.00 0.07 C HETATM 1998 C LEU A 145 9.854 18.180 37.893 1.00 0.23 C HETATM 1999 O LEU A 145 11.010 18.054 38.307 1.00 -0.39 O HETATM 2000 N LEU A 145 9.260 19.360 37.756 1.00 -0.26 N HETATM 2001 CA LEU A 145 9.928 20.605 38.112 1.00 0.13 C HETATM 2002 C LEU A 145 10.479 20.435 39.525 1.00 0.20 C HETATM 2003 O LEU A 145 9.869 19.744 40.324 1.00 -0.39 O HETATM 2004 N LEU A 145 11.616 21.059 39.834 1.00 -0.26 N HETATM 2005 CA LEU A 145 12.235 20.954 41.167 1.00 0.13 C HETATM 2006 C LEU A 145 12.711 22.329 41.656 1.00 0.20 C HETATM 2007 O LEU A 145 12.662 23.302 40.907 1.00 -0.39 O HETATM 2008 N LEU A 145 13.144 22.415 42.903 1.00 -0.26 N HETATM 2009 CA LEU A 145 13.703 23.652 43.393 1.00 0.14 C HETATM 2010 C LEU A 145 15.197 23.563 43.069 1.00 0.21 C HETATM 2011 O LEU A 145 15.972 22.980 43.817 1.00 -0.39 O HETATM 2012 N LEU A 145 15.534 24.124 41.931 1.00 -0.27 N HETATM 2013 CA LEU A 145 16.896 24.124 41.397 1.00 0.12 C HETATM 2014 C LEU A 145 17.959 24.472 42.423 1.00 0.06 C HETATM 2015 OXT LEU A 145 19.219 24.074 42.011 1.00 -0.57 O HETATM 2016 O LEU A 145 17.667 24.632 43.605 1.00 -0.57 O HETATM 2017 CB LEU A 145 16.578 24.759 40.037 1.00 0.08 C HETATM 2018 OG LEU A 145 17.916 25.170 39.835 1.00 -0.39 O HETATM 2019 H43 LEU A 145 18.483 24.408 39.833 1.00 0.21 H HETATM 2020 H41 LEU A 145 15.868 25.597 40.101 1.00 0.06 H HETATM 2021 H42 LEU A 145 16.225 24.035 39.288 1.00 0.06 H HETATM 2022 H40 LEU A 145 17.161 23.084 41.154 1.00 0.07 H HETATM 2023 H39 LEU A 145 14.819 24.577 41.399 1.00 0.19 H HETATM 2024 CB LEU A 145 13.365 23.897 44.882 1.00 0.02 C HETATM 2025 CG LEU A 145 14.486 23.737 45.920 1.00 -0.05 C HETATM 2026 CD2 LEU A 145 14.371 22.748 46.899 1.00 -0.07 C HETATM 2027 CE2 LEU A 145 15.365 22.549 47.841 1.00 -0.04 C HETATM 2028 CZ LEU A 145 16.493 23.337 47.818 1.00 0.08 C HETATM 2029 CE1 LEU A 145 16.639 24.336 46.869 1.00 -0.04 C HETATM 2030 CD1 LEU A 145 15.631 24.533 45.923 1.00 -0.07 C HETATM 2031 H34 LEU A 145 15.740 25.315 45.181 1.00 0.05 H HETATM 2032 H36 LEU A 145 17.527 24.958 46.861 1.00 0.05 H HETATM 2033 OH LEU A 145 17.486 23.135 48.754 1.00 -0.34 O HETATM 2034 H38 LEU A 145 18.298 22.919 48.311 1.00 0.25 H HETATM 2035 H37 LEU A 145 15.256 21.776 48.593 1.00 0.05 H HETATM 2036 H35 LEU A 145 13.485 22.123 46.922 1.00 0.05 H HETATM 2037 H32 LEU A 145 12.566 23.192 45.155 1.00 0.05 H HETATM 2038 H33 LEU A 145 12.989 24.927 44.965 1.00 0.05 H HETATM 2039 H31 LEU A 145 13.274 24.490 42.824 1.00 0.08 H HETATM 2040 H30 LEU A 145 13.084 21.621 43.508 1.00 0.19 H HETATM 2041 CB LEU A 145 13.494 20.080 41.131 1.00 -0.00 C HETATM 2042 CG1 LEU A 145 13.933 19.728 42.557 1.00 -0.05 C HETATM 2043 CD1 LEU A 145 15.409 19.482 42.738 1.00 -0.06 C HETATM 2044 H27 LEU A 145 15.614 19.239 43.791 1.00 0.02 H HETATM 2045 H28 LEU A 145 15.969 20.386 42.455 1.00 0.02 H HETATM 2046 H29 LEU A 145 15.722 18.642 42.100 1.00 0.02 H HETATM 2047 H22 LEU A 145 13.398 18.817 42.862 1.00 0.03 H HETATM 2048 H23 LEU A 145 13.645 20.560 43.216 1.00 0.03 H HETATM 2049 CG2 LEU A 145 14.604 20.846 40.416 1.00 -0.06 C HETATM 2050 H24 LEU A 145 14.279 21.094 39.395 1.00 0.02 H HETATM 2051 H25 LEU A 145 15.510 20.223 40.372 1.00 0.02 H HETATM 2052 H26 LEU A 145 14.823 21.773 40.966 1.00 0.02 H HETATM 2053 H21 LEU A 145 13.278 19.152 40.581 1.00 0.03 H HETATM 2054 H20 LEU A 145 11.502 20.533 41.871 1.00 0.08 H HETATM 2055 H19 LEU A 145 12.065 21.618 39.136 1.00 0.19 H HETATM 2056 CB LEU A 145 8.930 21.739 38.072 1.00 -0.02 C HETATM 2057 H16 LEU A 145 9.433 22.680 38.341 1.00 0.03 H HETATM 2058 H17 LEU A 145 8.119 21.539 38.788 1.00 0.03 H HETATM 2059 H18 LEU A 145 8.511 21.823 37.058 1.00 0.03 H HETATM 2060 H15 LEU A 145 10.749 20.811 37.409 1.00 0.08 H HETATM 2061 H14 LEU A 145 8.327 19.395 37.398 1.00 0.19 H HETATM 2062 CB LEU A 145 7.939 16.710 38.548 1.00 0.01 C HETATM 2063 CG LEU A 145 6.512 17.250 38.384 1.00 -0.04 C HETATM 2064 CD2 LEU A 145 5.588 16.087 38.071 1.00 -0.06 C HETATM 2065 H11 LEU A 145 5.653 15.340 38.876 1.00 0.02 H HETATM 2066 H12 LEU A 145 5.888 15.626 37.118 1.00 0.02 H HETATM 2067 H13 LEU A 145 4.553 16.452 37.992 1.00 0.02 H HETATM 2068 CD1 LEU A 145 6.439 18.296 37.283 1.00 -0.06 C HETATM 2069 H8 LEU A 145 5.405 18.661 37.192 1.00 0.02 H HETATM 2070 H9 LEU A 145 6.755 17.847 36.330 1.00 0.02 H HETATM 2071 H10 LEU A 145 7.104 19.136 37.531 1.00 0.02 H HETATM 2072 H7 LEU A 145 6.197 17.715 39.330 1.00 0.03 H HETATM 2073 H5 LEU A 145 8.321 17.129 39.490 1.00 0.03 H HETATM 2074 H6 LEU A 145 7.847 15.618 38.643 1.00 0.03 H HETATM 2075 H4 LEU A 145 8.548 17.145 36.520 1.00 0.11 H HETATM 2076 H1 LEU A 145 9.357 14.966 37.131 1.00 0.20 H HETATM 2077 H2 LEU A 145 10.346 15.600 38.284 1.00 0.20 H HETATM 2078 H3 LEU A 145 10.614 15.936 36.695 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 393 392 1750 CONECT 424 423 640 CONECT 630 629 1399 CONECT 640 424 639 CONECT 714 713 1845 CONECT 724 723 1306 CONECT 821 820 1199 CONECT 1120 1119 1281 CONECT 1199 821 1198 CONECT 1281 1120 1280 CONECT 1306 724 1305 CONECT 1399 630 1398 CONECT 1750 393 1749 CONECT 1845 714 1844 CONECT 1996 1997 2076 2077 2078 CONECT 1997 1996 1998 2062 2075 CONECT 1998 1997 1999 2000 CONECT 1999 1998 CONECT 2000 1998 2001 2061 CONECT 2001 2000 2002 2056 2060 CONECT 2002 2001 2003 2004 CONECT 2003 2002 CONECT 2004 2002 2005 2055 CONECT 2005 2004 2006 2041 2054 CONECT 2006 2005 2007 2008 CONECT 2007 2006 CONECT 2008 2006 2009 2040 CONECT 2009 2008 2010 2024 2039 CONECT 2010 2009 2011 2012 CONECT 2011 2010 CONECT 2012 2010 2013 2023 CONECT 2013 2012 2014 2017 2022 CONECT 2014 2013 2015 2016 CONECT 2015 2014 CONECT 2016 2014 CONECT 2017 2013 2018 2020 2021 CONECT 2018 2017 2019 CONECT 2019 2018 CONECT 2020 2017 CONECT 2021 2017 CONECT 2022 2013 CONECT 2023 2012 CONECT 2024 2009 2025 2037 2038 CONECT 2025 2024 2026 2030 CONECT 2026 2025 2027 2036 CONECT 2027 2026 2028 2035 CONECT 2028 2027 2029 2033 CONECT 2029 2028 2030 2032 CONECT 2030 2025 2029 2031 CONECT 2031 2030 CONECT 2032 2029 CONECT 2033 2028 2034 CONECT 2034 2033 CONECT 2035 2027 CONECT 2036 2026 CONECT 2037 2024 CONECT 2038 2024 CONECT 2039 2009 CONECT 2040 2008 CONECT 2041 2005 2042 2049 2053 CONECT 2042 2041 2043 2047 2048 CONECT 2043 2042 2044 2045 2046 CONECT 2044 2043 CONECT 2045 2043 CONECT 2046 2043 CONECT 2047 2042 CONECT 2048 2042 CONECT 2049 2041 2050 2051 2052 CONECT 2050 2049 CONECT 2051 2049 CONECT 2052 2049 CONECT 2053 2041 CONECT 2054 2005 CONECT 2055 2004 CONECT 2056 2001 2057 2058 2059 CONECT 2057 2056 CONECT 2058 2056 CONECT 2059 2056 CONECT 2060 2001 CONECT 2061 2000 CONECT 2062 1997 2063 2073 2074 CONECT 2063 2062 2064 2068 2072 CONECT 2064 2063 2065 2066 2067 CONECT 2065 2064 CONECT 2066 2064 CONECT 2067 2064 CONECT 2068 2063 2069 2070 2071 CONECT 2069 2068 CONECT 2070 2068 CONECT 2071 2068 CONECT 2072 2063 CONECT 2073 2062 CONECT 2074 2062 CONECT 2075 1997 CONECT 2076 1996 CONECT 2077 1996 CONECT 2078 1996 MASTER 0 0 0 0 0 0 0 0 2077 1 101 10 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 1jq8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1fv0
RCSB PDB
PDBbind
121aa, >1FV0_1|Chains... *
1jq9
RCSB PDB
PDBbind
121aa, >1JQ9_1|Chains... at 100%
1kpm
RCSB PDB
PDBbind
121aa, >1KPM_1|Chains... at 100%
1q7a
RCSB PDB
PDBbind
121aa, >1Q7A_1|Chain... at 100%
1sv3
RCSB PDB
PDBbind
121aa, >1SV3_1|Chain... at 100%
2arm
RCSB PDB
PDBbind
121aa, >2ARM_1|Chain... at 100%
2b17
RCSB PDB
PDBbind
121aa, >2B17_1|Chain... at 100%
3h1x
RCSB PDB
PDBbind
121aa, >3H1X_1|Chain... at 100%
4qem
RCSB PDB
PDBbind
121aa, >4QEM_1|Chain... at 100%
4qer
RCSB PDB
PDBbind
121aa, >4QER_1|Chain... at 100%
4qf7
RCSB PDB
PDBbind
121aa, >4QF7_1|Chain... at 100%
4qf8
RCSB PDB
PDBbind
121aa, >4QF8_1|Chain... at 100%
4qgd
RCSB PDB
PDBbind
121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
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3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
1jq8
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
phospholipase a2
Ligand Name
5-mer
EC.Number
E.C.3.1.1.4
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Ki=1.01uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Acta Crystallogr., Sect.D v58 pp. 1813-9, 2002
Ligand Properties
Formula
C
2
7
H
4
4
N
5
O
8
Molecular Weight
566.667
Exact Mass
566.319
No. of atoms
84
No. of bonds
84
Polar Surface Area
221.8
LOGP Value
-0.30 (
Computed with XLOGP3
)
0.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 1
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])C)C
InChI String
InChI=1S/C27H43N5O8/c1-6-15(4)22(32-23(35)16(5)29-24(36)19(28)11-14(2)3)26(38)30-20(12-17-7-9-18(34)10-8-17)25(37)31-21(13-33)27(39)40/h7-10,14-16,19-22,33-34H,6,11-13,28H2,1-5H3,(H,29,36)(H,30,38)(H,31,37)(H,32,35)(H,39,40)/p+1/t15-,16-,19-,20-,21-,22-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P59071
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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