Browse entries in the PDBbind-CN Database
HEADER 1EVH_COMPLEX COMPND 1EVH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 SER GLU GLN SER ILE CYS GLN ALA ARG ALA ALA VAL MET SEQRES 2 A 111 VAL TYR ASP ASP ALA ASN LYS LYS TRP VAL PRO ALA GLY SEQRES 3 A 111 GLY SER THR GLY PHE SER ARG VAL HIS ILE TYR HIS HIS SEQRES 4 A 111 THR GLY ASN ASN THR PHE ARG VAL VAL GLY ARG LYS ILE SEQRES 5 A 111 GLN ASP HIS GLN VAL VAL ILE ASN CYS ALA ILE PRO LYS SEQRES 6 A 111 GLY LEU LYS TYR ASN GLN ALA THR GLN THR PHE HIS GLN SEQRES 7 A 111 TRP ARG ASP ALA ARG GLN VAL TYR GLY LEU ASN PHE GLY SEQRES 8 A 111 SER LYS GLU ASP ALA ASN VAL PHE ALA SER ALA MET MET SEQRES 9 A 111 HIS ALA LEU GLU VAL LEU ASN HET ACE A 139 83 ATOM 1 N SER A 2 24.411 -10.990 5.708 1.00 38.41 N ATOM 2 CA SER A 2 24.904 -10.336 6.954 1.00 37.10 C ATOM 3 C SER A 2 24.580 -8.841 6.947 1.00 35.93 C ATOM 4 O SER A 2 23.416 -8.458 6.843 1.00 36.26 O ATOM 5 CB SER A 2 26.416 -10.545 7.094 1.00 37.94 C ATOM 6 OG SER A 2 27.111 -10.047 5.963 1.00 38.28 O ATOM 7 HA SER A 2 24.399 -10.793 7.805 1.00 0.00 H ATOM 8 HB2 SER A 2 26.620 -11.611 7.195 1.00 0.00 H ATOM 9 HB3 SER A 2 26.766 -10.023 7.985 1.00 0.00 H ATOM 10 HG SER A 2 28.082 -10.196 6.082 1.00 0.00 H ATOM 11 HN3 SER A 2 24.868 -10.551 4.883 1.00 0.00 H ATOM 12 HN2 SER A 2 23.380 -10.870 5.639 1.00 0.00 H ATOM 13 HN1 SER A 2 24.642 -12.004 5.735 1.00 0.00 H ATOM 14 N GLU A 3 25.612 -8.009 7.059 1.00 33.97 N ATOM 15 CA GLU A 3 25.454 -6.555 7.072 1.00 32.94 C ATOM 16 C GLU A 3 25.468 -5.957 5.669 1.00 30.74 C ATOM 17 O GLU A 3 26.477 -6.032 4.965 1.00 31.26 O ATOM 18 CB GLU A 3 26.578 -5.916 7.893 1.00 34.94 C ATOM 19 CG GLU A 3 26.441 -6.104 9.390 1.00 38.18 C ATOM 20 CD GLU A 3 25.366 -5.221 9.984 1.00 39.78 C ATOM 21 OE1 GLU A 3 24.218 -5.274 9.497 1.00 41.21 O ATOM 22 OE2 GLU A 3 25.669 -4.473 10.938 1.00 40.74 O ATOM 23 HA GLU A 3 24.483 -6.344 7.520 1.00 0.00 H ATOM 24 HB2 GLU A 3 27.524 -6.357 7.578 1.00 0.00 H ATOM 25 HB3 GLU A 3 26.589 -4.847 7.683 1.00 0.00 H ATOM 26 HG2 GLU A 3 26.190 -7.146 9.591 1.00 0.00 H ATOM 27 HG3 GLU A 3 27.393 -5.863 9.862 1.00 0.00 H ATOM 28 H GLU A 3 26.569 -8.408 7.141 1.00 0.00 H ATOM 29 N GLN A 4 24.354 -5.345 5.280 1.00 27.19 N ATOM 30 CA GLN A 4 24.222 -4.726 3.971 1.00 25.08 C ATOM 31 C GLN A 4 24.160 -3.209 4.096 1.00 23.49 C ATOM 32 O GLN A 4 23.366 -2.686 4.868 1.00 22.38 O ATOM 33 CB GLN A 4 22.949 -5.229 3.286 1.00 24.77 C ATOM 34 CG GLN A 4 23.055 -6.662 2.785 1.00 25.04 C ATOM 35 CD GLN A 4 23.985 -6.771 1.600 1.00 25.48 C ATOM 36 OE1 GLN A 4 23.706 -6.226 0.531 1.00 25.67 O ATOM 37 NE2 GLN A 4 25.101 -7.464 1.781 1.00 25.95 N ATOM 38 HA GLN A 4 25.094 -4.995 3.375 1.00 0.00 H ATOM 39 HB2 GLN A 4 22.127 -5.173 4.000 1.00 0.00 H ATOM 40 HB3 GLN A 4 22.735 -4.581 2.436 1.00 0.00 H ATOM 41 HG2 GLN A 4 23.433 -7.291 3.591 1.00 0.00 H ATOM 42 HG3 GLN A 4 22.064 -7.008 2.490 1.00 0.00 H ATOM 43 HE22 GLN A 4 25.294 -7.907 2.702 1.00 0.00 H ATOM 44 HE21 GLN A 4 25.783 -7.564 1.002 1.00 0.00 H ATOM 45 H GLN A 4 23.548 -5.308 5.936 1.00 0.00 H ATOM 46 N SER A 5 25.000 -2.505 3.347 1.00 22.41 N ATOM 47 CA SER A 5 24.979 -1.050 3.394 1.00 20.52 C ATOM 48 C SER A 5 23.907 -0.575 2.428 1.00 20.87 C ATOM 49 O SER A 5 23.924 -0.935 1.248 1.00 20.47 O ATOM 50 CB SER A 5 26.331 -0.468 2.987 1.00 21.63 C ATOM 51 OG SER A 5 26.240 0.941 2.901 1.00 18.57 O ATOM 52 HA SER A 5 24.768 -0.718 4.410 1.00 0.00 H ATOM 53 HB2 SER A 5 26.622 -0.872 2.017 1.00 0.00 H ATOM 54 HB3 SER A 5 27.080 -0.738 3.731 1.00 0.00 H ATOM 55 HG SER A 5 27.119 1.312 2.637 1.00 0.00 H ATOM 56 H SER A 5 25.675 -2.994 2.725 1.00 0.00 H ATOM 57 N ILE A 6 22.967 0.227 2.917 1.00 19.48 N ATOM 58 CA ILE A 6 21.896 0.714 2.057 1.00 20.65 C ATOM 59 C ILE A 6 22.039 2.193 1.730 1.00 20.68 C ATOM 60 O ILE A 6 21.203 2.773 1.042 1.00 20.71 O ATOM 61 CB ILE A 6 20.515 0.466 2.689 1.00 22.10 C ATOM 62 CG1 ILE A 6 20.399 1.212 4.019 1.00 22.56 C ATOM 63 CG2 ILE A 6 20.317 -1.031 2.901 1.00 22.76 C ATOM 64 CD1 ILE A 6 19.025 1.117 4.664 1.00 23.43 C ATOM 65 HA ILE A 6 21.977 0.150 1.128 1.00 0.00 H ATOM 66 HB ILE A 6 19.740 0.839 2.019 1.00 0.00 H ATOM 67 HG12 ILE A 6 21.132 0.796 4.710 1.00 0.00 H ATOM 68 HG13 ILE A 6 20.623 2.264 3.843 1.00 0.00 H ATOM 69 HD11 ILE A 6 18.279 1.540 3.991 1.00 0.00 H ATOM 70 HD12 ILE A 6 18.788 0.071 4.859 1.00 0.00 H ATOM 71 HD13 ILE A 6 19.026 1.672 5.602 1.00 0.00 H ATOM 72 HG21 ILE A 6 20.376 -1.544 1.941 1.00 0.00 H ATOM 73 HG22 ILE A 6 21.095 -1.409 3.564 1.00 0.00 H ATOM 74 HG23 ILE A 6 19.339 -1.207 3.349 1.00 0.00 H ATOM 75 H ILE A 6 22.996 0.508 3.918 1.00 0.00 H ATOM 76 N CYS A 7 23.110 2.797 2.224 1.00 20.76 N ATOM 77 CA CYS A 7 23.357 4.203 1.972 1.00 21.07 C ATOM 78 C CYS A 7 24.758 4.597 2.413 1.00 20.77 C ATOM 79 O CYS A 7 25.266 4.101 3.424 1.00 20.38 O ATOM 80 CB CYS A 7 22.309 5.038 2.705 1.00 23.99 C ATOM 81 SG CYS A 7 22.681 6.792 2.811 1.00 32.28 S ATOM 82 HA CYS A 7 23.283 4.389 0.901 1.00 0.00 H ATOM 83 HB2 CYS A 7 22.214 4.649 3.719 1.00 0.00 H ATOM 84 HB3 CYS A 7 21.359 4.924 2.183 1.00 0.00 H ATOM 85 HG CYS A 7 21.667 7.435 3.491 1.00 0.00 H ATOM 86 H CYS A 7 23.784 2.254 2.801 1.00 0.00 H ATOM 87 N GLN A 8 25.386 5.475 1.637 1.00 19.98 N ATOM 88 CA GLN A 8 26.722 5.964 1.943 1.00 20.04 C ATOM 89 C GLN A 8 26.696 7.481 1.764 1.00 20.57 C ATOM 90 O GLN A 8 26.404 7.976 0.673 1.00 22.02 O ATOM 91 CB GLN A 8 27.759 5.352 0.992 1.00 20.49 C ATOM 92 CG GLN A 8 27.735 3.818 0.891 1.00 20.01 C ATOM 93 CD GLN A 8 26.650 3.288 -0.044 1.00 20.26 C ATOM 94 OE1 GLN A 8 26.522 3.737 -1.190 1.00 20.26 O ATOM 95 NE2 GLN A 8 25.877 2.315 0.433 1.00 20.51 N ATOM 96 HA GLN A 8 27.000 5.687 2.960 1.00 0.00 H ATOM 97 HB2 GLN A 8 27.583 5.758 -0.004 1.00 0.00 H ATOM 98 HB3 GLN A 8 28.749 5.651 1.336 1.00 0.00 H ATOM 99 HG2 GLN A 8 28.704 3.481 0.523 1.00 0.00 H ATOM 100 HG3 GLN A 8 27.564 3.409 1.887 1.00 0.00 H ATOM 101 HE22 GLN A 8 26.018 1.967 1.403 1.00 0.00 H ATOM 102 HE21 GLN A 8 25.132 1.903 -0.164 1.00 0.00 H ATOM 103 H GLN A 8 24.906 5.824 0.783 1.00 0.00 H ATOM 104 N ALA A 9 26.981 8.215 2.832 1.00 19.49 N ATOM 105 CA ALA A 9 26.983 9.675 2.772 1.00 18.87 C ATOM 106 C ALA A 9 28.189 10.233 3.513 1.00 18.48 C ATOM 107 O ALA A 9 28.738 9.587 4.403 1.00 19.69 O ATOM 108 CB ALA A 9 25.705 10.225 3.391 1.00 17.96 C ATOM 109 HA ALA A 9 27.037 9.978 1.726 1.00 0.00 H ATOM 110 HB1 ALA A 9 24.844 9.845 2.842 1.00 0.00 H ATOM 111 HB2 ALA A 9 25.642 9.909 4.432 1.00 0.00 H ATOM 112 HB3 ALA A 9 25.718 11.314 3.341 1.00 0.00 H ATOM 113 H ALA A 9 27.208 7.742 3.730 1.00 0.00 H ATOM 114 N ARG A 10 28.596 11.442 3.142 1.00 17.84 N ATOM 115 CA ARG A 10 29.728 12.086 3.791 1.00 17.66 C ATOM 116 C ARG A 10 29.211 13.123 4.776 1.00 17.20 C ATOM 117 O ARG A 10 28.448 14.017 4.411 1.00 16.96 O ATOM 118 CB ARG A 10 30.623 12.753 2.747 1.00 17.74 C ATOM 119 CG ARG A 10 31.697 13.647 3.330 1.00 22.15 C ATOM 120 CD ARG A 10 32.684 14.063 2.252 1.00 23.55 C ATOM 121 NE ARG A 10 33.547 15.148 2.708 1.00 27.19 N ATOM 122 CZ ARG A 10 33.272 16.438 2.538 1.00 27.20 C ATOM 123 NH1 ARG A 10 32.161 16.804 1.916 1.00 28.31 N ATOM 124 NH2 ARG A 10 34.102 17.359 3.002 1.00 28.24 N ATOM 125 HA ARG A 10 30.317 11.339 4.323 1.00 0.00 H ATOM 126 HB2 ARG A 10 31.109 11.971 2.163 1.00 0.00 H ATOM 127 HB3 ARG A 10 29.994 13.356 2.092 1.00 0.00 H ATOM 128 HG2 ARG A 10 31.232 14.537 3.754 1.00 0.00 H ATOM 129 HG3 ARG A 10 32.228 13.107 4.114 1.00 0.00 H ATOM 130 HD2 ARG A 10 32.131 14.395 1.374 1.00 0.00 H ATOM 131 HD3 ARG A 10 33.302 13.205 1.987 1.00 0.00 H ATOM 132 HE ARG A 10 34.431 14.897 3.196 1.00 0.00 H ATOM 133 HH12 ARG A 10 31.947 17.813 1.784 1.00 0.00 H ATOM 134 HH11 ARG A 10 31.502 16.082 1.560 1.00 0.00 H ATOM 135 HH22 ARG A 10 33.887 18.368 2.869 1.00 0.00 H ATOM 136 HH21 ARG A 10 34.970 17.074 3.500 1.00 0.00 H ATOM 137 H ARG A 10 28.097 11.936 2.375 1.00 0.00 H ATOM 138 N ALA A 11 29.628 13.002 6.028 1.00 16.73 N ATOM 139 CA ALA A 11 29.180 13.935 7.053 1.00 16.96 C ATOM 140 C ALA A 11 30.142 13.954 8.228 1.00 16.72 C ATOM 141 O ALA A 11 30.870 12.991 8.463 1.00 17.07 O ATOM 142 CB ALA A 11 27.786 13.545 7.538 1.00 16.82 C ATOM 143 HA ALA A 11 29.149 14.933 6.615 1.00 0.00 H ATOM 144 HB1 ALA A 11 27.090 13.571 6.699 1.00 0.00 H ATOM 145 HB2 ALA A 11 27.816 12.539 7.956 1.00 0.00 H ATOM 146 HB3 ALA A 11 27.459 14.248 8.304 1.00 0.00 H ATOM 147 H ALA A 11 30.281 12.234 6.281 1.00 0.00 H ATOM 148 N ALA A 12 30.147 15.066 8.951 1.00 16.41 N ATOM 149 CA ALA A 12 30.985 15.201 10.130 1.00 16.92 C ATOM 150 C ALA A 12 30.068 14.774 11.263 1.00 17.61 C ATOM 151 O ALA A 12 29.041 15.402 11.498 1.00 17.91 O ATOM 152 CB ALA A 12 31.419 16.651 10.314 1.00 17.19 C ATOM 153 HA ALA A 12 31.900 14.612 10.074 1.00 0.00 H ATOM 154 HB1 ALA A 12 31.983 16.974 9.439 1.00 0.00 H ATOM 155 HB2 ALA A 12 30.537 17.281 10.432 1.00 0.00 H ATOM 156 HB3 ALA A 12 32.046 16.731 11.202 1.00 0.00 H ATOM 157 H ALA A 12 29.537 15.859 8.667 1.00 0.00 H ATOM 158 N VAL A 13 30.426 13.699 11.953 1.00 17.06 N ATOM 159 CA VAL A 13 29.598 13.207 13.049 1.00 18.11 C ATOM 160 C VAL A 13 29.903 13.989 14.320 1.00 18.62 C ATOM 161 O VAL A 13 31.065 14.174 14.686 1.00 17.56 O ATOM 162 CB VAL A 13 29.838 11.700 13.283 1.00 17.74 C ATOM 163 CG1 VAL A 13 28.875 11.168 14.335 1.00 19.74 C ATOM 164 CG2 VAL A 13 29.645 10.948 11.972 1.00 20.34 C ATOM 165 HA VAL A 13 28.551 13.349 12.783 1.00 0.00 H ATOM 166 HB VAL A 13 30.857 11.552 13.640 1.00 0.00 H ATOM 167 HG11 VAL A 13 29.030 11.703 15.272 1.00 0.00 H ATOM 168 HG12 VAL A 13 27.850 11.317 13.996 1.00 0.00 H ATOM 169 HG13 VAL A 13 29.057 10.104 14.488 1.00 0.00 H ATOM 170 HG21 VAL A 13 28.628 11.104 11.611 1.00 0.00 H ATOM 171 HG22 VAL A 13 30.355 11.320 11.233 1.00 0.00 H ATOM 172 HG23 VAL A 13 29.814 9.884 12.137 1.00 0.00 H ATOM 173 H VAL A 13 31.306 13.202 11.710 1.00 0.00 H ATOM 174 N MET A 14 28.849 14.444 14.990 1.00 18.31 N ATOM 175 CA MET A 14 29.000 15.225 16.209 1.00 20.18 C ATOM 176 C MET A 14 28.127 14.667 17.327 1.00 19.31 C ATOM 177 O MET A 14 27.174 13.923 17.082 1.00 17.96 O ATOM 178 CB MET A 14 28.565 16.669 15.951 1.00 21.76 C ATOM 179 CG MET A 14 29.019 17.244 14.629 1.00 28.43 C ATOM 180 SD MET A 14 30.766 17.638 14.639 1.00 32.22 S ATOM 181 CE MET A 14 30.725 19.296 15.339 1.00 33.75 C ATOM 182 HA MET A 14 30.048 15.180 16.506 1.00 0.00 H ATOM 183 HB2 MET A 14 27.476 16.705 15.980 1.00 0.00 H ATOM 184 HB3 MET A 14 28.969 17.292 16.748 1.00 0.00 H ATOM 185 HG2 MET A 14 28.453 18.153 14.427 1.00 0.00 H ATOM 186 HG3 MET A 14 28.826 16.515 13.842 1.00 0.00 H ATOM 187 HE1 MET A 14 30.132 19.946 14.696 1.00 0.00 H ATOM 188 HE2 MET A 14 30.277 19.259 16.332 1.00 0.00 H ATOM 189 HE3 MET A 14 31.741 19.684 15.411 1.00 0.00 H ATOM 190 H MET A 14 27.894 14.237 14.635 1.00 0.00 H ATOM 191 N VAL A 15 28.467 15.034 18.555 1.00 17.98 N ATOM 192 CA VAL A 15 27.684 14.641 19.718 1.00 19.82 C ATOM 193 C VAL A 15 27.512 15.927 20.515 1.00 20.54 C ATOM 194 O VAL A 15 28.400 16.788 20.516 1.00 19.31 O ATOM 195 CB VAL A 15 28.391 13.552 20.568 1.00 21.33 C ATOM 196 CG1 VAL A 15 28.429 12.243 19.796 1.00 22.12 C ATOM 197 CG2 VAL A 15 29.789 13.987 20.936 1.00 22.88 C ATOM 198 HA VAL A 15 26.734 14.195 19.424 1.00 0.00 H ATOM 199 HB VAL A 15 27.828 13.406 21.490 1.00 0.00 H ATOM 200 HG11 VAL A 15 27.411 11.924 19.574 1.00 0.00 H ATOM 201 HG12 VAL A 15 28.977 12.388 18.865 1.00 0.00 H ATOM 202 HG13 VAL A 15 28.926 11.482 20.398 1.00 0.00 H ATOM 203 HG21 VAL A 15 30.367 14.156 20.027 1.00 0.00 H ATOM 204 HG22 VAL A 15 29.741 14.910 21.514 1.00 0.00 H ATOM 205 HG23 VAL A 15 30.265 13.208 21.532 1.00 0.00 H ATOM 206 H VAL A 15 29.316 15.619 18.691 1.00 0.00 H ATOM 207 N TYR A 16 26.369 16.076 21.173 1.00 21.81 N ATOM 208 CA TYR A 16 26.112 17.294 21.930 1.00 23.38 C ATOM 209 C TYR A 16 26.655 17.247 23.348 1.00 25.05 C ATOM 210 O TYR A 16 26.410 16.295 24.088 1.00 24.18 O ATOM 211 CB TYR A 16 24.613 17.584 21.982 1.00 22.89 C ATOM 212 CG TYR A 16 24.281 18.989 22.439 1.00 24.28 C ATOM 213 CD1 TYR A 16 24.654 20.095 21.678 1.00 24.95 C ATOM 214 CD2 TYR A 16 23.571 19.211 23.618 1.00 25.78 C ATOM 215 CE1 TYR A 16 24.327 21.388 22.075 1.00 26.14 C ATOM 216 CE2 TYR A 16 23.239 20.502 24.026 1.00 26.79 C ATOM 217 CZ TYR A 16 23.620 21.584 23.248 1.00 26.53 C ATOM 218 OH TYR A 16 23.287 22.859 23.645 1.00 27.63 O ATOM 219 HA TYR A 16 26.638 18.090 21.403 1.00 0.00 H ATOM 220 HB3 TYR A 16 24.149 16.879 22.672 1.00 0.00 H ATOM 221 HB2 TYR A 16 24.199 17.440 20.984 1.00 0.00 H ATOM 222 HD2 TYR A 16 23.271 18.361 24.231 1.00 0.00 H ATOM 223 HE2 TYR A 16 22.684 20.659 24.951 1.00 0.00 H ATOM 224 HE1 TYR A 16 24.626 22.241 21.466 1.00 0.00 H ATOM 225 HD1 TYR A 16 25.213 19.945 20.754 1.00 0.00 H ATOM 226 HH TYR A 16 23.631 23.510 22.983 1.00 0.00 H ATOM 227 H TYR A 16 25.654 15.321 21.148 1.00 0.00 H ATOM 228 N ASP A 17 27.397 18.289 23.707 1.00 26.66 N ATOM 229 CA ASP A 17 27.978 18.428 25.035 1.00 29.03 C ATOM 230 C ASP A 17 26.948 19.226 25.830 1.00 30.79 C ATOM 231 O ASP A 17 26.897 20.454 25.742 1.00 31.15 O ATOM 232 CB ASP A 17 29.299 19.200 24.952 1.00 29.93 C ATOM 233 CG ASP A 17 29.986 19.328 26.297 1.00 31.28 C ATOM 234 OD1 ASP A 17 29.282 19.308 27.327 1.00 32.19 O ATOM 235 OD2 ASP A 17 31.228 19.467 26.325 1.00 33.40 O ATOM 236 HA ASP A 17 28.197 17.465 25.496 1.00 0.00 H ATOM 237 HB2 ASP A 17 29.967 18.677 24.267 1.00 0.00 H ATOM 238 HB3 ASP A 17 29.096 20.199 24.567 1.00 0.00 H ATOM 239 H ASP A 17 27.571 19.039 23.008 1.00 0.00 H ATOM 240 N ASP A 18 26.125 18.509 26.587 1.00 32.02 N ATOM 241 CA ASP A 18 25.055 19.090 27.391 1.00 34.74 C ATOM 242 C ASP A 18 25.500 20.240 28.298 1.00 34.86 C ATOM 243 O ASP A 18 24.867 21.292 28.325 1.00 35.14 O ATOM 244 CB ASP A 18 24.408 17.984 28.234 1.00 37.10 C ATOM 245 CG ASP A 18 22.966 18.289 28.606 1.00 39.44 C ATOM 246 OD1 ASP A 18 22.709 19.358 29.198 1.00 41.60 O ATOM 247 OD2 ASP A 18 22.087 17.447 28.312 1.00 41.87 O ATOM 248 HA ASP A 18 24.342 19.526 26.691 1.00 0.00 H ATOM 249 HB2 ASP A 18 24.431 17.054 27.665 1.00 0.00 H ATOM 250 HB3 ASP A 18 24.985 17.862 29.150 1.00 0.00 H ATOM 251 H ASP A 18 26.250 17.477 26.608 1.00 0.00 H ATOM 252 N ALA A 19 26.592 20.037 29.030 1.00 35.15 N ATOM 253 CA ALA A 19 27.105 21.050 29.954 1.00 35.40 C ATOM 254 C ALA A 19 27.556 22.348 29.292 1.00 35.36 C ATOM 255 O ALA A 19 27.113 23.431 29.677 1.00 35.88 O ATOM 256 CB ALA A 19 28.250 20.473 30.768 1.00 35.24 C ATOM 257 HA ALA A 19 26.262 21.316 30.592 1.00 0.00 H ATOM 258 HB1 ALA A 19 27.893 19.614 31.336 1.00 0.00 H ATOM 259 HB2 ALA A 19 29.049 20.159 30.097 1.00 0.00 H ATOM 260 HB3 ALA A 19 28.626 21.233 31.453 1.00 0.00 H ATOM 261 H ALA A 19 27.096 19.132 28.943 1.00 0.00 H ATOM 262 N ASN A 20 28.439 22.236 28.304 1.00 34.93 N ATOM 263 CA ASN A 20 28.959 23.409 27.604 1.00 34.41 C ATOM 264 C ASN A 20 28.043 23.912 26.491 1.00 33.79 C ATOM 265 O ASN A 20 28.356 24.897 25.821 1.00 33.30 O ATOM 266 CB ASN A 20 30.341 23.099 27.024 1.00 35.16 C ATOM 267 CG ASN A 20 31.374 22.827 28.099 1.00 36.81 C ATOM 268 OD1 ASN A 20 31.688 23.701 28.914 1.00 36.84 O ATOM 269 ND2 ASN A 20 31.909 21.610 28.112 1.00 36.77 N ATOM 270 HA ASN A 20 29.021 24.205 28.346 1.00 0.00 H ATOM 271 HB2 ASN A 20 30.263 22.220 26.384 1.00 0.00 H ATOM 272 HB3 ASN A 20 30.670 23.952 26.430 1.00 0.00 H ATOM 273 HD22 ASN A 20 31.615 20.905 27.406 1.00 0.00 H ATOM 274 HD21 ASN A 20 32.622 21.363 28.828 1.00 0.00 H ATOM 275 H ASN A 20 28.768 21.290 28.022 1.00 0.00 H ATOM 276 N LYS A 21 26.915 23.234 26.302 1.00 32.81 N ATOM 277 CA LYS A 21 25.946 23.606 25.275 1.00 32.05 C ATOM 278 C LYS A 21 26.626 23.798 23.924 1.00 31.10 C ATOM 279 O LYS A 21 26.385 24.784 23.221 1.00 29.52 O ATOM 280 CB LYS A 21 25.217 24.891 25.680 1.00 33.33 C ATOM 281 CG LYS A 21 24.406 24.763 26.960 1.00 35.16 C ATOM 282 CD LYS A 21 23.298 23.734 26.820 1.00 36.36 C ATOM 283 CE LYS A 21 22.462 23.647 28.087 1.00 37.79 C ATOM 284 NZ LYS A 21 23.276 23.226 29.264 1.00 38.51 N ATOM 285 HA LYS A 21 25.223 22.796 25.182 1.00 0.00 H ATOM 286 HB2 LYS A 21 25.959 25.677 25.821 1.00 0.00 H ATOM 287 HB3 LYS A 21 24.541 25.172 24.872 1.00 0.00 H ATOM 288 HG2 LYS A 21 25.069 24.461 27.770 1.00 0.00 H ATOM 289 HG3 LYS A 21 23.963 25.730 27.196 1.00 0.00 H ATOM 290 HD2 LYS A 21 22.654 24.017 25.988 1.00 0.00 H ATOM 291 HD3 LYS A 21 23.742 22.759 26.619 1.00 0.00 H ATOM 292 HE2 LYS A 21 21.663 22.921 27.933 1.00 0.00 H ATOM 293 HE3 LYS A 21 22.028 24.626 28.291 1.00 0.00 H ATOM 294 HZ1 LYS A 21 23.689 22.289 29.081 1.00 0.00 H ATOM 295 HZ2 LYS A 21 24.037 23.917 29.423 1.00 0.00 H ATOM 296 HZ3 LYS A 21 22.667 23.180 30.106 1.00 0.00 H ATOM 297 H LYS A 21 26.716 22.411 26.906 1.00 0.00 H ATOM 298 N LYS A 22 27.474 22.839 23.568 1.00 29.34 N ATOM 299 CA LYS A 22 28.209 22.875 22.311 1.00 28.84 C ATOM 300 C LYS A 22 28.237 21.488 21.691 1.00 27.04 C ATOM 301 O LYS A 22 28.123 20.491 22.391 1.00 26.40 O ATOM 302 CB LYS A 22 29.657 23.308 22.554 1.00 30.10 C ATOM 303 CG LYS A 22 29.874 24.788 22.814 1.00 32.57 C ATOM 304 CD LYS A 22 31.336 25.044 23.181 1.00 34.16 C ATOM 305 CE LYS A 22 31.719 26.516 23.038 1.00 34.68 C ATOM 306 NZ LYS A 22 31.750 26.948 21.610 1.00 36.04 N ATOM 307 HA LYS A 22 27.712 23.583 21.648 1.00 0.00 H ATOM 308 HB2 LYS A 22 30.029 22.759 23.419 1.00 0.00 H ATOM 309 HB3 LYS A 22 30.239 23.035 21.674 1.00 0.00 H ATOM 310 HG2 LYS A 22 29.622 25.353 21.917 1.00 0.00 H ATOM 311 HG3 LYS A 22 29.234 25.108 23.636 1.00 0.00 H ATOM 312 HD2 LYS A 22 31.497 24.738 24.215 1.00 0.00 H ATOM 313 HD3 LYS A 22 31.972 24.450 22.524 1.00 0.00 H ATOM 314 HE2 LYS A 22 32.707 26.667 23.473 1.00 0.00 H ATOM 315 HE3 LYS A 22 30.990 27.124 23.574 1.00 0.00 H ATOM 316 HZ1 LYS A 22 32.448 26.378 21.092 1.00 0.00 H ATOM 317 HZ2 LYS A 22 30.809 26.814 21.188 1.00 0.00 H ATOM 318 HZ3 LYS A 22 32.014 27.953 21.559 1.00 0.00 H ATOM 319 H LYS A 22 27.618 22.034 24.210 1.00 0.00 H ATOM 320 N TRP A 23 28.381 21.434 20.373 1.00 25.90 N ATOM 321 CA TRP A 23 28.490 20.154 19.689 1.00 24.84 C ATOM 322 C TRP A 23 29.983 19.870 19.632 1.00 24.72 C ATOM 323 O TRP A 23 30.790 20.797 19.501 1.00 25.02 O ATOM 324 CB TRP A 23 27.925 20.237 18.270 1.00 23.78 C ATOM 325 CG TRP A 23 26.441 20.290 18.217 1.00 22.43 C ATOM 326 CD1 TRP A 23 25.653 21.408 18.241 1.00 22.64 C ATOM 327 CD2 TRP A 23 25.548 19.171 18.166 1.00 21.17 C ATOM 328 NE1 TRP A 23 24.328 21.052 18.206 1.00 22.49 N ATOM 329 CE2 TRP A 23 24.233 19.686 18.160 1.00 20.97 C ATOM 330 CE3 TRP A 23 25.731 17.782 18.126 1.00 20.18 C ATOM 331 CZ2 TRP A 23 23.103 18.860 18.116 1.00 20.69 C ATOM 332 CZ3 TRP A 23 24.607 16.958 18.085 1.00 18.71 C ATOM 333 CH2 TRP A 23 23.310 17.502 18.079 1.00 19.18 C ATOM 334 HA TRP A 23 27.929 19.375 20.206 1.00 0.00 H ATOM 335 HB2 TRP A 23 28.318 21.136 17.795 1.00 0.00 H ATOM 336 HB3 TRP A 23 28.258 19.360 17.716 1.00 0.00 H ATOM 337 HE1 TRP A 23 23.525 21.713 18.213 1.00 0.00 H ATOM 338 HD1 TRP A 23 26.023 22.432 18.282 1.00 0.00 H ATOM 339 HZ2 TRP A 23 22.097 19.279 18.111 1.00 0.00 H ATOM 340 HH2 TRP A 23 22.451 16.832 18.044 1.00 0.00 H ATOM 341 HZ3 TRP A 23 24.735 15.876 18.057 1.00 0.00 H ATOM 342 HE3 TRP A 23 26.733 17.354 18.127 1.00 0.00 H ATOM 343 H TRP A 23 28.416 22.316 19.823 1.00 0.00 H ATOM 344 N VAL A 24 30.358 18.603 19.746 1.00 23.74 N ATOM 345 CA VAL A 24 31.762 18.231 19.703 1.00 24.38 C ATOM 346 C VAL A 24 31.946 17.069 18.733 1.00 24.49 C ATOM 347 O VAL A 24 31.031 16.273 18.533 1.00 23.32 O ATOM 348 CB VAL A 24 32.277 17.838 21.109 1.00 25.66 C ATOM 349 CG1 VAL A 24 32.099 19.013 22.071 1.00 25.61 C ATOM 350 CG2 VAL A 24 31.527 16.640 21.631 1.00 25.72 C ATOM 351 HA VAL A 24 32.341 19.089 19.362 1.00 0.00 H ATOM 352 HB VAL A 24 33.334 17.584 21.034 1.00 0.00 H ATOM 353 HG11 VAL A 24 32.665 19.870 21.705 1.00 0.00 H ATOM 354 HG12 VAL A 24 31.042 19.274 22.133 1.00 0.00 H ATOM 355 HG13 VAL A 24 32.463 18.731 23.059 1.00 0.00 H ATOM 356 HG21 VAL A 24 30.465 16.878 21.696 1.00 0.00 H ATOM 357 HG22 VAL A 24 31.671 15.799 20.953 1.00 0.00 H ATOM 358 HG23 VAL A 24 31.904 16.380 22.620 1.00 0.00 H ATOM 359 H VAL A 24 29.636 17.864 19.868 1.00 0.00 H ATOM 360 N PRO A 25 33.126 16.971 18.098 1.00 24.62 N ATOM 361 CA PRO A 25 33.388 15.885 17.146 1.00 23.98 C ATOM 362 C PRO A 25 33.254 14.507 17.779 1.00 23.76 C ATOM 363 O PRO A 25 33.842 14.239 18.825 1.00 22.71 O ATOM 364 CB PRO A 25 34.818 16.168 16.689 1.00 24.93 C ATOM 365 CG PRO A 25 34.902 17.656 16.768 1.00 25.86 C ATOM 366 CD PRO A 25 34.242 17.935 18.102 1.00 24.97 C ATOM 367 HA PRO A 25 32.670 15.864 16.326 1.00 0.00 H ATOM 368 HD3 PRO A 25 34.926 17.747 18.930 1.00 0.00 H ATOM 369 HD2 PRO A 25 33.879 18.961 18.158 1.00 0.00 H ATOM 370 HG3 PRO A 25 34.358 18.128 15.950 1.00 0.00 H ATOM 371 HG2 PRO A 25 35.938 17.996 16.759 1.00 0.00 H ATOM 372 HB2 PRO A 25 35.543 15.698 17.353 1.00 0.00 H ATOM 373 HB3 PRO A 25 34.981 15.819 15.669 1.00 0.00 H ATOM 374 N ALA A 26 32.482 13.630 17.142 1.00 23.23 N ATOM 375 CA ALA A 26 32.304 12.281 17.663 1.00 22.98 C ATOM 376 C ALA A 26 33.648 11.559 17.649 1.00 23.89 C ATOM 377 O ALA A 26 34.406 11.652 16.678 1.00 23.27 O ATOM 378 CB ALA A 26 31.292 11.520 16.821 1.00 22.54 C ATOM 379 HA ALA A 26 31.929 12.334 18.685 1.00 0.00 H ATOM 380 HB1 ALA A 26 30.335 12.041 16.846 1.00 0.00 H ATOM 381 HB2 ALA A 26 31.648 11.461 15.792 1.00 0.00 H ATOM 382 HB3 ALA A 26 31.170 10.514 17.223 1.00 0.00 H ATOM 383 H ALA A 26 32.001 13.910 16.264 1.00 0.00 H ATOM 384 N GLY A 27 33.942 10.844 18.730 1.00 24.99 N ATOM 385 CA GLY A 27 35.199 10.126 18.814 1.00 26.50 C ATOM 386 C GLY A 27 36.363 11.080 19.013 1.00 27.71 C ATOM 387 O GLY A 27 37.520 10.662 19.000 1.00 28.09 O ATOM 388 HA3 GLY A 27 35.351 9.566 17.891 1.00 0.00 H ATOM 389 HA2 GLY A 27 35.158 9.434 19.655 1.00 0.00 H ATOM 390 H GLY A 27 33.267 10.799 19.520 1.00 0.00 H ATOM 391 N GLY A 28 36.045 12.361 19.201 1.00 28.16 N ATOM 392 CA GLY A 28 37.063 13.378 19.404 1.00 28.66 C ATOM 393 C GLY A 28 37.973 13.567 18.206 1.00 28.85 C ATOM 394 O GLY A 28 39.045 14.167 18.316 1.00 29.71 O ATOM 395 HA3 GLY A 28 37.673 13.090 20.260 1.00 0.00 H ATOM 396 HA2 GLY A 28 36.568 14.326 19.615 1.00 0.00 H ATOM 397 H GLY A 28 35.043 12.640 19.202 1.00 0.00 H ATOM 398 N SER A 29 37.539 13.061 17.056 1.00 28.72 N ATOM 399 CA SER A 29 38.311 13.151 15.824 1.00 28.24 C ATOM 400 C SER A 29 37.630 14.087 14.829 1.00 27.67 C ATOM 401 O SER A 29 36.683 13.694 14.147 1.00 28.35 O ATOM 402 CB SER A 29 38.455 11.754 15.208 1.00 28.67 C ATOM 403 OG SER A 29 39.302 11.765 14.074 1.00 30.14 O ATOM 404 HA SER A 29 39.297 13.553 16.056 1.00 0.00 H ATOM 405 HB2 SER A 29 37.470 11.396 14.909 1.00 0.00 H ATOM 406 HB3 SER A 29 38.874 11.080 15.955 1.00 0.00 H ATOM 407 HG SER A 29 39.370 10.849 13.705 1.00 0.00 H ATOM 408 H SER A 29 36.615 12.584 17.035 1.00 0.00 H ATOM 409 N THR A 30 38.121 15.319 14.740 1.00 26.63 N ATOM 410 CA THR A 30 37.548 16.309 13.831 1.00 26.27 C ATOM 411 C THR A 30 37.721 15.923 12.362 1.00 24.44 C ATOM 412 O THR A 30 38.740 15.354 11.973 1.00 24.06 O ATOM 413 CB THR A 30 38.175 17.701 14.079 1.00 27.58 C ATOM 414 OG1 THR A 30 37.864 18.122 15.415 1.00 30.87 O ATOM 415 CG2 THR A 30 37.626 18.725 13.107 1.00 27.87 C ATOM 416 HA THR A 30 36.479 16.344 14.040 1.00 0.00 H ATOM 417 HB THR A 30 39.253 17.625 13.938 1.00 0.00 H ATOM 418 HG1 THR A 30 38.263 19.013 15.580 1.00 0.00 H ATOM 419 HG23 THR A 30 37.856 18.416 12.087 1.00 0.00 H ATOM 420 HG21 THR A 30 36.546 18.799 13.231 1.00 0.00 H ATOM 421 HG22 THR A 30 38.083 19.694 13.306 1.00 0.00 H ATOM 422 H THR A 30 38.933 15.585 15.332 1.00 0.00 H ATOM 423 N GLY A 31 36.713 16.230 11.551 1.00 23.45 N ATOM 424 CA GLY A 31 36.780 15.903 10.138 1.00 22.31 C ATOM 425 C GLY A 31 35.591 15.083 9.682 1.00 21.26 C ATOM 426 O GLY A 31 34.807 14.596 10.500 1.00 21.44 O ATOM 427 HA3 GLY A 31 37.691 15.334 9.952 1.00 0.00 H ATOM 428 HA2 GLY A 31 36.808 16.829 9.564 1.00 0.00 H ATOM 429 H GLY A 31 35.871 16.708 11.931 1.00 0.00 H ATOM 430 N PHE A 32 35.455 14.924 8.372 1.00 19.93 N ATOM 431 CA PHE A 32 34.345 14.164 7.824 1.00 18.53 C ATOM 432 C PHE A 32 34.536 12.661 7.872 1.00 18.42 C ATOM 433 O PHE A 32 35.660 12.154 7.864 1.00 17.30 O ATOM 434 CB PHE A 32 34.070 14.582 6.380 1.00 19.59 C ATOM 435 CG PHE A 32 33.515 15.964 6.258 1.00 21.75 C ATOM 436 CD1 PHE A 32 34.361 17.066 6.213 1.00 23.19 C ATOM 437 CD2 PHE A 32 32.138 16.169 6.232 1.00 23.02 C ATOM 438 CE1 PHE A 32 33.841 18.356 6.144 1.00 24.33 C ATOM 439 CE2 PHE A 32 31.606 17.456 6.166 1.00 23.55 C ATOM 440 CZ PHE A 32 32.459 18.552 6.122 1.00 24.12 C ATOM 441 HA PHE A 32 33.495 14.397 8.465 1.00 0.00 H ATOM 442 HB2 PHE A 32 35.005 14.534 5.822 1.00 0.00 H ATOM 443 HB3 PHE A 32 33.354 13.883 5.948 1.00 0.00 H ATOM 444 HD2 PHE A 32 31.466 15.311 6.264 1.00 0.00 H ATOM 445 HE2 PHE A 32 30.526 17.602 6.149 1.00 0.00 H ATOM 446 HZ PHE A 32 32.050 19.561 6.070 1.00 0.00 H ATOM 447 HE1 PHE A 32 34.513 19.213 6.107 1.00 0.00 H ATOM 448 HD1 PHE A 32 35.441 16.919 6.232 1.00 0.00 H ATOM 449 H PHE A 32 36.153 15.349 7.729 1.00 0.00 H ATOM 450 N SER A 33 33.407 11.965 7.908 1.00 17.82 N ATOM 451 CA SER A 33 33.369 10.508 7.931 1.00 17.27 C ATOM 452 C SER A 33 32.481 10.027 6.796 1.00 18.01 C ATOM 453 O SER A 33 31.671 10.787 6.261 1.00 17.31 O ATOM 454 CB SER A 33 32.766 10.002 9.242 1.00 17.57 C ATOM 455 OG SER A 33 33.615 10.235 10.344 1.00 17.48 O ATOM 456 HA SER A 33 34.387 10.132 7.830 1.00 0.00 H ATOM 457 HB2 SER A 33 32.588 8.930 9.156 1.00 0.00 H ATOM 458 HB3 SER A 33 31.819 10.514 9.414 1.00 0.00 H ATOM 459 HG SER A 33 33.777 11.207 10.435 1.00 0.00 H ATOM 460 H SER A 33 32.506 12.484 7.920 1.00 0.00 H ATOM 461 N ARG A 34 32.671 8.769 6.418 1.00 18.76 N ATOM 462 CA ARG A 34 31.846 8.132 5.409 1.00 19.68 C ATOM 463 C ARG A 34 30.844 7.430 6.317 1.00 19.73 C ATOM 464 O ARG A 34 31.218 6.560 7.106 1.00 19.25 O ATOM 465 CB ARG A 34 32.662 7.114 4.605 1.00 22.04 C ATOM 466 CG ARG A 34 31.869 6.374 3.543 1.00 25.32 C ATOM 467 CD ARG A 34 31.081 7.324 2.655 1.00 28.84 C ATOM 468 NE ARG A 34 31.922 8.302 1.968 1.00 30.34 N ATOM 469 CZ ARG A 34 31.457 9.206 1.108 1.00 31.54 C ATOM 470 NH1 ARG A 34 30.158 9.259 0.830 1.00 31.89 N ATOM 471 NH2 ARG A 34 32.288 10.054 0.518 1.00 32.53 N ATOM 472 HA ARG A 34 31.415 8.799 4.663 1.00 0.00 H ATOM 473 HB2 ARG A 34 33.479 7.643 4.114 1.00 0.00 H ATOM 474 HB3 ARG A 34 33.071 6.380 5.299 1.00 0.00 H ATOM 475 HG2 ARG A 34 32.559 5.803 2.922 1.00 0.00 H ATOM 476 HG3 ARG A 34 31.174 5.692 4.033 1.00 0.00 H ATOM 477 HD2 ARG A 34 30.361 7.860 3.274 1.00 0.00 H ATOM 478 HD3 ARG A 34 30.549 6.737 1.906 1.00 0.00 H ATOM 479 HE ARG A 34 32.944 8.291 2.162 1.00 0.00 H ATOM 480 HH12 ARG A 34 29.799 9.966 0.158 1.00 0.00 H ATOM 481 HH11 ARG A 34 29.501 8.593 1.285 1.00 0.00 H ATOM 482 HH22 ARG A 34 31.922 10.759 -0.153 1.00 0.00 H ATOM 483 HH21 ARG A 34 33.306 10.014 0.726 1.00 0.00 H ATOM 484 H ARG A 34 33.437 8.222 6.860 1.00 0.00 H ATOM 485 N VAL A 35 29.585 7.847 6.240 1.00 17.88 N ATOM 486 CA VAL A 35 28.555 7.285 7.092 1.00 18.35 C ATOM 487 C VAL A 35 27.586 6.374 6.346 1.00 19.08 C ATOM 488 O VAL A 35 26.964 6.765 5.352 1.00 19.09 O ATOM 489 CB VAL A 35 27.767 8.412 7.797 1.00 18.04 C ATOM 490 CG1 VAL A 35 26.823 7.827 8.834 1.00 20.22 C ATOM 491 CG2 VAL A 35 28.741 9.383 8.461 1.00 19.88 C ATOM 492 HA VAL A 35 29.071 6.669 7.828 1.00 0.00 H ATOM 493 HB VAL A 35 27.176 8.949 7.055 1.00 0.00 H ATOM 494 HG11 VAL A 35 26.120 7.153 8.344 1.00 0.00 H ATOM 495 HG12 VAL A 35 27.399 7.276 9.578 1.00 0.00 H ATOM 496 HG13 VAL A 35 26.276 8.634 9.321 1.00 0.00 H ATOM 497 HG21 VAL A 35 29.342 8.847 9.196 1.00 0.00 H ATOM 498 HG22 VAL A 35 29.393 9.817 7.703 1.00 0.00 H ATOM 499 HG23 VAL A 35 28.181 10.176 8.957 1.00 0.00 H ATOM 500 H VAL A 35 29.334 8.590 5.557 1.00 0.00 H ATOM 501 N HIS A 36 27.455 5.153 6.847 1.00 18.80 N ATOM 502 CA HIS A 36 26.569 4.169 6.242 1.00 18.78 C ATOM 503 C HIS A 36 25.418 3.841 7.171 1.00 19.02 C ATOM 504 O HIS A 36 25.513 4.016 8.377 1.00 18.76 O ATOM 505 CB HIS A 36 27.286 2.832 6.020 1.00 20.39 C ATOM 506 CG HIS A 36 28.423 2.878 5.053 1.00 20.70 C ATOM 507 ND1 HIS A 36 29.591 3.567 5.301 1.00 22.81 N ATOM 508 CD2 HIS A 36 28.596 2.258 3.863 1.00 20.86 C ATOM 509 CE1 HIS A 36 30.436 3.365 4.305 1.00 22.51 C ATOM 510 NE2 HIS A 36 29.856 2.575 3.419 1.00 22.36 N ATOM 511 HA HIS A 36 26.233 4.607 5.302 1.00 0.00 H ATOM 512 HB2 HIS A 36 27.672 2.492 6.981 1.00 0.00 H ATOM 513 HB3 HIS A 36 26.555 2.114 5.649 1.00 0.00 H ATOM 514 HD2 HIS A 36 27.871 1.625 3.352 1.00 0.00 H ATOM 515 HE1 HIS A 36 31.441 3.780 4.228 1.00 0.00 H ATOM 516 H HIS A 36 27.999 4.892 7.694 1.00 0.00 H ATOM 517 N ILE A 37 24.325 3.373 6.587 1.00 18.46 N ATOM 518 CA ILE A 37 23.216 2.872 7.380 1.00 19.58 C ATOM 519 C ILE A 37 23.306 1.403 6.977 1.00 18.79 C ATOM 520 O ILE A 37 23.240 1.089 5.785 1.00 18.47 O ATOM 521 CB ILE A 37 21.850 3.448 6.949 1.00 20.62 C ATOM 522 CG1 ILE A 37 21.754 4.919 7.366 1.00 21.50 C ATOM 523 CG2 ILE A 37 20.721 2.643 7.603 1.00 21.30 C ATOM 524 CD1 ILE A 37 20.427 5.581 7.011 1.00 22.25 C ATOM 525 HA ILE A 37 23.277 3.111 8.442 1.00 0.00 H ATOM 526 HB ILE A 37 21.755 3.379 5.865 1.00 0.00 H ATOM 527 HG12 ILE A 37 21.889 4.978 8.446 1.00 0.00 H ATOM 528 HG13 ILE A 37 22.554 5.469 6.871 1.00 0.00 H ATOM 529 HD11 ILE A 37 20.281 5.543 5.932 1.00 0.00 H ATOM 530 HD12 ILE A 37 19.614 5.052 7.508 1.00 0.00 H ATOM 531 HD13 ILE A 37 20.441 6.620 7.340 1.00 0.00 H ATOM 532 HG21 ILE A 37 20.790 1.601 7.289 1.00 0.00 H ATOM 533 HG22 ILE A 37 20.814 2.704 8.687 1.00 0.00 H ATOM 534 HG23 ILE A 37 19.759 3.053 7.296 1.00 0.00 H ATOM 535 H ILE A 37 24.260 3.364 5.549 1.00 0.00 H ATOM 536 N TYR A 38 23.521 0.516 7.946 1.00 19.63 N ATOM 537 CA TYR A 38 23.624 -0.911 7.653 1.00 19.73 C ATOM 538 C TYR A 38 22.368 -1.664 8.048 1.00 21.00 C ATOM 539 O TYR A 38 21.794 -1.427 9.110 1.00 20.91 O ATOM 540 CB TYR A 38 24.809 -1.548 8.389 1.00 20.75 C ATOM 541 CG TYR A 38 26.152 -1.280 7.766 1.00 22.56 C ATOM 542 CD1 TYR A 38 26.593 -2.024 6.668 1.00 23.12 C ATOM 543 CD2 TYR A 38 26.989 -0.288 8.272 1.00 23.26 C ATOM 544 CE1 TYR A 38 27.838 -1.782 6.093 1.00 24.26 C ATOM 545 CE2 TYR A 38 28.233 -0.038 7.705 1.00 24.77 C ATOM 546 CZ TYR A 38 28.652 -0.788 6.619 1.00 24.75 C ATOM 547 OH TYR A 38 29.893 -0.558 6.069 1.00 26.37 O ATOM 548 HA TYR A 38 23.768 -0.986 6.575 1.00 0.00 H ATOM 549 HB3 TYR A 38 24.654 -2.627 8.413 1.00 0.00 H ATOM 550 HB2 TYR A 38 24.824 -1.162 9.408 1.00 0.00 H ATOM 551 HD2 TYR A 38 26.662 0.303 9.128 1.00 0.00 H ATOM 552 HE2 TYR A 38 28.875 0.743 8.112 1.00 0.00 H ATOM 553 HE1 TYR A 38 28.171 -2.368 5.237 1.00 0.00 H ATOM 554 HD1 TYR A 38 25.953 -2.805 6.256 1.00 0.00 H ATOM 555 HH TYR A 38 30.034 -1.174 5.307 1.00 0.00 H ATOM 556 H TYR A 38 23.617 0.845 8.928 1.00 0.00 H ATOM 557 N HIS A 39 21.954 -2.586 7.193 1.00 21.68 N ATOM 558 CA HIS A 39 20.773 -3.389 7.469 1.00 23.70 C ATOM 559 C HIS A 39 21.236 -4.812 7.717 1.00 24.83 C ATOM 560 O HIS A 39 21.828 -5.433 6.833 1.00 24.81 O ATOM 561 CB HIS A 39 19.818 -3.365 6.277 1.00 24.48 C ATOM 562 CG HIS A 39 18.554 -4.137 6.500 1.00 25.94 C ATOM 563 ND1 HIS A 39 17.693 -4.465 5.475 1.00 28.04 N ATOM 564 CD2 HIS A 39 17.996 -4.629 7.631 1.00 26.43 C ATOM 565 CE1 HIS A 39 16.659 -5.126 5.965 1.00 26.69 C ATOM 566 NE2 HIS A 39 16.818 -5.239 7.271 1.00 27.25 N ATOM 567 HA HIS A 39 20.245 -2.991 8.335 1.00 0.00 H ATOM 568 HB2 HIS A 39 19.555 -2.328 6.067 1.00 0.00 H ATOM 569 HB3 HIS A 39 20.333 -3.789 5.415 1.00 0.00 H ATOM 570 HD2 HIS A 39 18.405 -4.555 8.639 1.00 0.00 H ATOM 571 HE1 HIS A 39 15.818 -5.512 5.389 1.00 0.00 H ATOM 572 H HIS A 39 22.482 -2.739 6.310 1.00 0.00 H ATOM 573 N HIS A 40 20.993 -5.324 8.920 1.00 26.26 N ATOM 574 CA HIS A 40 21.387 -6.692 9.225 1.00 28.67 C ATOM 575 C HIS A 40 20.232 -7.554 8.756 1.00 29.66 C ATOM 576 O HIS A 40 19.257 -7.743 9.478 1.00 29.63 O ATOM 577 CB HIS A 40 21.605 -6.899 10.725 1.00 28.93 C ATOM 578 CG HIS A 40 22.256 -8.208 11.058 1.00 29.87 C ATOM 579 ND1 HIS A 40 21.811 -9.410 10.550 1.00 30.88 N ATOM 580 CD2 HIS A 40 23.326 -8.501 11.834 1.00 31.28 C ATOM 581 CE1 HIS A 40 22.580 -10.387 10.997 1.00 31.56 C ATOM 582 NE2 HIS A 40 23.507 -9.862 11.778 1.00 32.18 N ATOM 583 HA HIS A 40 22.329 -6.941 8.737 1.00 0.00 H ATOM 584 HB2 HIS A 40 22.238 -6.094 11.097 1.00 0.00 H ATOM 585 HB3 HIS A 40 20.637 -6.858 11.224 1.00 0.00 H ATOM 586 HD2 HIS A 40 23.931 -7.790 12.398 1.00 0.00 H ATOM 587 HE1 HIS A 40 22.469 -11.445 10.762 1.00 0.00 H ATOM 588 H HIS A 40 20.521 -4.746 9.644 1.00 0.00 H ATOM 589 N THR A 41 20.348 -8.052 7.531 1.00 31.69 N ATOM 590 CA THR A 41 19.316 -8.873 6.912 1.00 33.84 C ATOM 591 C THR A 41 18.725 -9.943 7.830 1.00 34.49 C ATOM 592 O THR A 41 17.508 -10.012 8.014 1.00 35.05 O ATOM 593 CB THR A 41 19.863 -9.558 5.646 1.00 34.73 C ATOM 594 OG1 THR A 41 20.811 -10.565 6.018 1.00 36.70 O ATOM 595 CG2 THR A 41 20.559 -8.539 4.757 1.00 35.19 C ATOM 596 HA THR A 41 18.510 -8.181 6.670 1.00 0.00 H ATOM 597 HB THR A 41 19.030 -10.007 5.104 1.00 0.00 H ATOM 598 HG1 THR A 41 21.558 -10.146 6.515 1.00 0.00 H ATOM 599 HG23 THR A 41 19.847 -7.766 4.466 1.00 0.00 H ATOM 600 HG21 THR A 41 21.386 -8.086 5.304 1.00 0.00 H ATOM 601 HG22 THR A 41 20.941 -9.037 3.866 1.00 0.00 H ATOM 602 H THR A 41 21.212 -7.847 6.990 1.00 0.00 H ATOM 603 N GLY A 42 19.586 -10.770 8.409 1.00 34.92 N ATOM 604 CA GLY A 42 19.111 -11.832 9.278 1.00 36.07 C ATOM 605 C GLY A 42 18.290 -11.397 10.478 1.00 36.22 C ATOM 606 O GLY A 42 17.266 -12.008 10.788 1.00 36.70 O ATOM 607 HA3 GLY A 42 19.981 -12.374 9.648 1.00 0.00 H ATOM 608 HA2 GLY A 42 18.495 -12.503 8.679 1.00 0.00 H ATOM 609 H GLY A 42 20.606 -10.657 8.240 1.00 0.00 H ATOM 610 N ASN A 43 18.731 -10.335 11.144 1.00 35.82 N ATOM 611 CA ASN A 43 18.066 -9.822 12.341 1.00 35.37 C ATOM 612 C ASN A 43 17.029 -8.747 12.007 1.00 34.36 C ATOM 613 O ASN A 43 16.174 -8.413 12.829 1.00 34.02 O ATOM 614 CB ASN A 43 19.128 -9.241 13.281 1.00 36.42 C ATOM 615 CG ASN A 43 18.736 -9.334 14.740 1.00 37.93 C ATOM 616 OD1 ASN A 43 18.519 -10.424 15.267 1.00 39.52 O ATOM 617 ND2 ASN A 43 18.649 -8.188 15.406 1.00 38.46 N ATOM 618 HA ASN A 43 17.536 -10.646 12.819 1.00 0.00 H ATOM 619 HB2 ASN A 43 20.059 -9.788 13.135 1.00 0.00 H ATOM 620 HB3 ASN A 43 19.281 -8.192 13.028 1.00 0.00 H ATOM 621 HD22 ASN A 43 18.841 -7.289 14.921 1.00 0.00 H ATOM 622 HD21 ASN A 43 18.389 -8.190 16.413 1.00 0.00 H ATOM 623 H ASN A 43 19.584 -9.849 10.800 1.00 0.00 H ATOM 624 N ASN A 44 17.119 -8.217 10.793 1.00 32.94 N ATOM 625 CA ASN A 44 16.228 -7.166 10.313 1.00 30.66 C ATOM 626 C ASN A 44 16.311 -5.939 11.221 1.00 28.77 C ATOM 627 O ASN A 44 15.299 -5.349 11.596 1.00 27.94 O ATOM 628 CB ASN A 44 14.790 -7.673 10.234 1.00 31.95 C ATOM 629 CG ASN A 44 13.913 -6.785 9.380 1.00 33.03 C ATOM 630 OD1 ASN A 44 14.271 -6.448 8.247 1.00 33.19 O ATOM 631 ND2 ASN A 44 12.758 -6.400 9.912 1.00 33.74 N ATOM 632 HA ASN A 44 16.546 -6.879 9.311 1.00 0.00 H ATOM 633 HB2 ASN A 44 14.795 -8.676 9.807 1.00 0.00 H ATOM 634 HB3 ASN A 44 14.376 -7.710 11.241 1.00 0.00 H ATOM 635 HD22 ASN A 44 12.498 -6.709 10.871 1.00 0.00 H ATOM 636 HD21 ASN A 44 12.114 -5.790 9.370 1.00 0.00 H ATOM 637 H ASN A 44 17.860 -8.568 10.153 1.00 0.00 H ATOM 638 N THR A 45 17.538 -5.574 11.574 1.00 25.99 N ATOM 639 CA THR A 45 17.800 -4.416 12.421 1.00 23.67 C ATOM 640 C THR A 45 18.711 -3.467 11.640 1.00 22.10 C ATOM 641 O THR A 45 19.329 -3.878 10.662 1.00 21.07 O ATOM 642 CB THR A 45 18.493 -4.834 13.726 1.00 24.59 C ATOM 643 OG1 THR A 45 19.632 -5.648 13.426 1.00 26.04 O ATOM 644 CG2 THR A 45 17.531 -5.622 14.607 1.00 25.55 C ATOM 645 HA THR A 45 16.859 -3.932 12.683 1.00 0.00 H ATOM 646 HB THR A 45 18.810 -3.936 14.257 1.00 0.00 H ATOM 647 HG1 THR A 45 20.076 -5.916 14.269 1.00 0.00 H ATOM 648 HG23 THR A 45 16.663 -5.005 14.837 1.00 0.00 H ATOM 649 HG21 THR A 45 17.210 -6.520 14.080 1.00 0.00 H ATOM 650 HG22 THR A 45 18.034 -5.903 15.532 1.00 0.00 H ATOM 651 H THR A 45 18.344 -6.136 11.233 1.00 0.00 H ATOM 652 N PHE A 46 18.787 -2.208 12.068 1.00 19.99 N ATOM 653 CA PHE A 46 19.616 -1.215 11.386 1.00 18.99 C ATOM 654 C PHE A 46 20.517 -0.465 12.352 1.00 18.57 C ATOM 655 O PHE A 46 20.216 -0.348 13.539 1.00 18.53 O ATOM 656 CB PHE A 46 18.753 -0.164 10.669 1.00 18.83 C ATOM 657 CG PHE A 46 17.816 -0.728 9.640 1.00 20.15 C ATOM 658 CD1 PHE A 46 16.642 -1.361 10.025 1.00 20.10 C ATOM 659 CD2 PHE A 46 18.106 -0.619 8.283 1.00 20.49 C ATOM 660 CE1 PHE A 46 15.764 -1.879 9.069 1.00 21.27 C ATOM 661 CE2 PHE A 46 17.236 -1.132 7.320 1.00 20.84 C ATOM 662 CZ PHE A 46 16.063 -1.763 7.716 1.00 20.87 C ATOM 663 HA PHE A 46 20.218 -1.776 10.671 1.00 0.00 H ATOM 664 HB2 PHE A 46 18.161 0.360 11.419 1.00 0.00 H ATOM 665 HB3 PHE A 46 19.418 0.543 10.174 1.00 0.00 H ATOM 666 HD2 PHE A 46 19.026 -0.126 7.968 1.00 0.00 H ATOM 667 HE2 PHE A 46 17.476 -1.038 6.261 1.00 0.00 H ATOM 668 HZ PHE A 46 15.380 -2.166 6.968 1.00 0.00 H ATOM 669 HE1 PHE A 46 14.845 -2.374 9.384 1.00 0.00 H ATOM 670 HD1 PHE A 46 16.402 -1.455 11.084 1.00 0.00 H ATOM 671 H PHE A 46 18.243 -1.924 12.908 1.00 0.00 H ATOM 672 N ARG A 47 21.623 0.052 11.831 1.00 18.45 N ATOM 673 CA ARG A 47 22.524 0.846 12.646 1.00 18.58 C ATOM 674 C ARG A 47 23.272 1.822 11.763 1.00 17.55 C ATOM 675 O ARG A 47 23.433 1.588 10.569 1.00 17.51 O ATOM 676 CB ARG A 47 23.516 -0.032 13.417 1.00 20.82 C ATOM 677 CG ARG A 47 24.426 -0.877 12.566 1.00 24.41 C ATOM 678 CD ARG A 47 25.479 -1.563 13.433 1.00 26.50 C ATOM 679 NE ARG A 47 26.224 -2.562 12.677 1.00 28.38 N ATOM 680 CZ ARG A 47 27.430 -3.007 13.008 1.00 29.10 C ATOM 681 NH1 ARG A 47 28.041 -2.540 14.089 1.00 29.13 N ATOM 682 NH2 ARG A 47 28.027 -3.919 12.253 1.00 30.69 N ATOM 683 HA ARG A 47 21.929 1.389 13.380 1.00 0.00 H ATOM 684 HB2 ARG A 47 24.138 0.621 14.030 1.00 0.00 H ATOM 685 HB3 ARG A 47 22.944 -0.698 14.063 1.00 0.00 H ATOM 686 HG2 ARG A 47 23.836 -1.634 12.051 1.00 0.00 H ATOM 687 HG3 ARG A 47 24.922 -0.243 11.831 1.00 0.00 H ATOM 688 HD2 ARG A 47 24.984 -2.050 14.273 1.00 0.00 H ATOM 689 HD3 ARG A 47 26.174 -0.812 13.808 1.00 0.00 H ATOM 690 HE ARG A 47 25.781 -2.952 11.821 1.00 0.00 H ATOM 691 HH12 ARG A 47 28.986 -2.891 14.345 1.00 0.00 H ATOM 692 HH11 ARG A 47 27.575 -1.823 14.681 1.00 0.00 H ATOM 693 HH22 ARG A 47 28.972 -4.269 12.510 1.00 0.00 H ATOM 694 HH21 ARG A 47 27.550 -4.284 11.404 1.00 0.00 H ATOM 695 H ARG A 47 21.846 -0.114 10.829 1.00 0.00 H ATOM 696 N VAL A 48 23.694 2.930 12.356 1.00 17.06 N ATOM 697 CA VAL A 48 24.453 3.945 11.642 1.00 17.21 C ATOM 698 C VAL A 48 25.918 3.737 12.014 1.00 16.10 C ATOM 699 O VAL A 48 26.259 3.654 13.197 1.00 16.87 O ATOM 700 CB VAL A 48 24.033 5.372 12.068 1.00 17.82 C ATOM 701 CG1 VAL A 48 24.831 6.407 11.278 1.00 19.02 C ATOM 702 CG2 VAL A 48 22.540 5.567 11.850 1.00 19.84 C ATOM 703 HA VAL A 48 24.276 3.851 10.571 1.00 0.00 H ATOM 704 HB VAL A 48 24.245 5.504 13.129 1.00 0.00 H ATOM 705 HG11 VAL A 48 25.895 6.271 11.474 1.00 0.00 H ATOM 706 HG12 VAL A 48 24.637 6.278 10.213 1.00 0.00 H ATOM 707 HG13 VAL A 48 24.529 7.408 11.585 1.00 0.00 H ATOM 708 HG21 VAL A 48 22.307 5.426 10.795 1.00 0.00 H ATOM 709 HG22 VAL A 48 21.989 4.839 12.446 1.00 0.00 H ATOM 710 HG23 VAL A 48 22.258 6.575 12.154 1.00 0.00 H ATOM 711 H VAL A 48 23.476 3.078 13.362 1.00 0.00 H ATOM 712 N VAL A 49 26.781 3.646 11.009 1.00 16.84 N ATOM 713 CA VAL A 49 28.204 3.459 11.260 1.00 17.40 C ATOM 714 C VAL A 49 28.992 4.467 10.452 1.00 17.69 C ATOM 715 O VAL A 49 28.755 4.642 9.254 1.00 17.53 O ATOM 716 CB VAL A 49 28.668 2.045 10.873 1.00 18.09 C ATOM 717 CG1 VAL A 49 30.175 1.923 11.059 1.00 18.93 C ATOM 718 CG2 VAL A 49 27.953 1.028 11.729 1.00 19.15 C ATOM 719 HA VAL A 49 28.376 3.598 12.327 1.00 0.00 H ATOM 720 HB VAL A 49 28.430 1.861 9.825 1.00 0.00 H ATOM 721 HG11 VAL A 49 30.678 2.653 10.425 1.00 0.00 H ATOM 722 HG12 VAL A 49 30.427 2.111 12.103 1.00 0.00 H ATOM 723 HG13 VAL A 49 30.494 0.918 10.782 1.00 0.00 H ATOM 724 HG21 VAL A 49 28.183 1.212 12.778 1.00 0.00 H ATOM 725 HG22 VAL A 49 26.878 1.114 11.571 1.00 0.00 H ATOM 726 HG23 VAL A 49 28.283 0.026 11.453 1.00 0.00 H ATOM 727 H VAL A 49 26.437 3.709 10.030 1.00 0.00 H ATOM 728 N GLY A 50 29.917 5.143 11.118 1.00 16.96 N ATOM 729 CA GLY A 50 30.718 6.138 10.440 1.00 18.28 C ATOM 730 C GLY A 50 32.190 5.973 10.743 1.00 18.40 C ATOM 731 O GLY A 50 32.580 5.696 11.877 1.00 18.35 O ATOM 732 HA3 GLY A 50 30.399 7.129 10.764 1.00 0.00 H ATOM 733 HA2 GLY A 50 30.565 6.042 9.365 1.00 0.00 H ATOM 734 H GLY A 50 30.067 4.958 12.130 1.00 0.00 H ATOM 735 N ARG A 51 33.003 6.147 9.710 1.00 18.83 N ATOM 736 CA ARG A 51 34.446 6.049 9.824 1.00 18.53 C ATOM 737 C ARG A 51 35.042 7.283 9.185 1.00 18.25 C ATOM 738 O ARG A 51 34.581 7.732 8.132 1.00 18.01 O ATOM 739 CB ARG A 51 34.968 4.817 9.087 1.00 19.16 C ATOM 740 CG ARG A 51 34.827 3.510 9.821 1.00 20.58 C ATOM 741 CD ARG A 51 35.268 2.371 8.911 1.00 22.23 C ATOM 742 NE ARG A 51 35.152 1.067 9.555 1.00 24.24 N ATOM 743 CZ ARG A 51 36.049 0.563 10.396 1.00 25.38 C ATOM 744 NH1 ARG A 51 37.140 1.255 10.700 1.00 25.91 N ATOM 745 NH2 ARG A 51 35.852 -0.633 10.936 1.00 26.18 N ATOM 746 HA ARG A 51 34.722 5.967 10.875 1.00 0.00 H ATOM 747 HB2 ARG A 51 34.424 4.734 8.146 1.00 0.00 H ATOM 748 HB3 ARG A 51 36.027 4.973 8.881 1.00 0.00 H ATOM 749 HG2 ARG A 51 35.451 3.525 10.715 1.00 0.00 H ATOM 750 HG3 ARG A 51 33.786 3.364 10.109 1.00 0.00 H ATOM 751 HD2 ARG A 51 36.309 2.531 8.629 1.00 0.00 H ATOM 752 HD3 ARG A 51 34.645 2.376 8.016 1.00 0.00 H ATOM 753 HE ARG A 51 34.311 0.494 9.342 1.00 0.00 H ATOM 754 HH12 ARG A 51 37.841 0.859 11.358 1.00 0.00 H ATOM 755 HH11 ARG A 51 37.294 2.194 10.280 1.00 0.00 H ATOM 756 HH22 ARG A 51 36.553 -1.028 11.594 1.00 0.00 H ATOM 757 HH21 ARG A 51 34.996 -1.175 10.701 1.00 0.00 H ATOM 758 H ARG A 51 32.589 6.362 8.780 1.00 0.00 H ATOM 759 N LYS A 52 36.062 7.835 9.831 1.00 17.55 N ATOM 760 CA LYS A 52 36.735 9.013 9.317 1.00 18.68 C ATOM 761 C LYS A 52 37.222 8.729 7.899 1.00 18.73 C ATOM 762 O LYS A 52 37.761 7.659 7.614 1.00 16.94 O ATOM 763 CB LYS A 52 37.913 9.373 10.219 1.00 19.11 C ATOM 764 CG LYS A 52 37.524 9.700 11.656 1.00 19.87 C ATOM 765 CD LYS A 52 36.651 10.951 11.746 1.00 21.42 C ATOM 766 CE LYS A 52 37.297 12.137 11.052 1.00 21.97 C ATOM 767 NZ LYS A 52 38.644 12.479 11.606 1.00 24.01 N ATOM 768 HA LYS A 52 36.043 9.855 9.300 1.00 0.00 H ATOM 769 HB2 LYS A 52 38.602 8.528 10.235 1.00 0.00 H ATOM 770 HB3 LYS A 52 38.415 10.242 9.795 1.00 0.00 H ATOM 771 HG2 LYS A 52 36.973 8.856 12.072 1.00 0.00 H ATOM 772 HG3 LYS A 52 38.431 9.862 12.238 1.00 0.00 H ATOM 773 HD2 LYS A 52 35.690 10.746 11.275 1.00 0.00 H ATOM 774 HD3 LYS A 52 36.494 11.198 12.796 1.00 0.00 H ATOM 775 HE2 LYS A 52 36.645 13.003 11.165 1.00 0.00 H ATOM 776 HE3 LYS A 52 37.406 11.902 9.993 1.00 0.00 H ATOM 777 HZ1 LYS A 52 38.553 12.715 12.615 1.00 0.00 H ATOM 778 HZ2 LYS A 52 39.280 11.664 11.495 1.00 0.00 H ATOM 779 HZ3 LYS A 52 39.032 13.295 11.092 1.00 0.00 H ATOM 780 H LYS A 52 36.386 7.414 10.725 1.00 0.00 H ATOM 781 N ILE A 53 37.020 9.687 7.006 1.00 20.19 N ATOM 782 CA ILE A 53 37.435 9.513 5.622 1.00 22.66 C ATOM 783 C ILE A 53 38.952 9.385 5.497 1.00 24.34 C ATOM 784 O ILE A 53 39.451 8.595 4.695 1.00 23.91 O ATOM 785 CB ILE A 53 36.905 10.685 4.750 1.00 22.87 C ATOM 786 CG1 ILE A 53 35.388 10.541 4.597 1.00 23.79 C ATOM 787 CG2 ILE A 53 37.571 10.687 3.376 1.00 23.58 C ATOM 788 CD1 ILE A 53 34.721 11.650 3.800 1.00 24.86 C ATOM 789 HA ILE A 53 37.002 8.581 5.259 1.00 0.00 H ATOM 790 HB ILE A 53 37.143 11.630 5.239 1.00 0.00 H ATOM 791 HG12 ILE A 53 35.185 9.594 4.097 1.00 0.00 H ATOM 792 HG13 ILE A 53 34.946 10.526 5.593 1.00 0.00 H ATOM 793 HD11 ILE A 53 34.899 12.606 4.291 1.00 0.00 H ATOM 794 HD12 ILE A 53 35.139 11.674 2.793 1.00 0.00 H ATOM 795 HD13 ILE A 53 33.649 11.462 3.745 1.00 0.00 H ATOM 796 HG21 ILE A 53 38.649 10.799 3.496 1.00 0.00 H ATOM 797 HG22 ILE A 53 37.356 9.747 2.868 1.00 0.00 H ATOM 798 HG23 ILE A 53 37.182 11.517 2.786 1.00 0.00 H ATOM 799 H ILE A 53 36.560 10.573 7.297 1.00 0.00 H ATOM 800 N GLN A 54 39.683 10.134 6.314 1.00 26.10 N ATOM 801 CA GLN A 54 41.139 10.095 6.255 1.00 29.42 C ATOM 802 C GLN A 54 41.830 8.889 6.886 1.00 29.32 C ATOM 803 O GLN A 54 42.598 8.203 6.211 1.00 30.18 O ATOM 804 CB GLN A 54 41.729 11.377 6.841 1.00 31.34 C ATOM 805 CG GLN A 54 41.854 12.501 5.828 1.00 36.12 C ATOM 806 CD GLN A 54 42.697 13.648 6.344 1.00 38.57 C ATOM 807 OE1 GLN A 54 43.859 13.465 6.715 1.00 40.55 O ATOM 808 NE2 GLN A 54 42.116 14.841 6.374 1.00 39.98 N ATOM 809 HA GLN A 54 41.343 9.999 5.189 1.00 0.00 H ATOM 810 HB2 GLN A 54 41.086 11.714 7.654 1.00 0.00 H ATOM 811 HB3 GLN A 54 42.721 11.153 7.234 1.00 0.00 H ATOM 812 HG2 GLN A 54 42.314 12.107 4.922 1.00 0.00 H ATOM 813 HG3 GLN A 54 40.857 12.875 5.594 1.00 0.00 H ATOM 814 HE22 GLN A 54 41.133 14.949 6.051 1.00 0.00 H ATOM 815 HE21 GLN A 54 42.643 15.668 6.720 1.00 0.00 H ATOM 816 H GLN A 54 39.212 10.755 7.003 1.00 0.00 H ATOM 817 N ASP A 55 41.578 8.627 8.166 1.00 29.29 N ATOM 818 CA ASP A 55 42.232 7.500 8.826 1.00 29.02 C ATOM 819 C ASP A 55 41.322 6.312 9.151 1.00 27.92 C ATOM 820 O ASP A 55 41.728 5.387 9.844 1.00 27.42 O ATOM 821 CB ASP A 55 42.948 7.976 10.095 1.00 30.36 C ATOM 822 CG ASP A 55 41.990 8.395 11.187 1.00 31.68 C ATOM 823 OD1 ASP A 55 40.765 8.261 10.995 1.00 32.28 O ATOM 824 OD2 ASP A 55 42.467 8.856 12.245 1.00 33.50 O ATOM 825 HA ASP A 55 42.946 7.120 8.095 1.00 0.00 H ATOM 826 HB2 ASP A 55 43.570 7.163 10.470 1.00 0.00 H ATOM 827 HB3 ASP A 55 43.580 8.827 9.840 1.00 0.00 H ATOM 828 H ASP A 55 40.914 9.226 8.697 1.00 0.00 H ATOM 829 N HIS A 56 40.091 6.350 8.650 1.00 27.18 N ATOM 830 CA HIS A 56 39.127 5.266 8.837 1.00 27.27 C ATOM 831 C HIS A 56 38.717 4.882 10.257 1.00 25.98 C ATOM 832 O HIS A 56 38.105 3.830 10.467 1.00 25.73 O ATOM 833 CB HIS A 56 39.611 4.013 8.102 1.00 29.25 C ATOM 834 CG HIS A 56 39.610 4.158 6.613 1.00 33.29 C ATOM 835 ND1 HIS A 56 40.488 4.985 5.945 1.00 33.69 N ATOM 836 CD2 HIS A 56 38.809 3.615 5.666 1.00 33.75 C ATOM 837 CE1 HIS A 56 40.227 4.945 4.651 1.00 35.07 C ATOM 838 NE2 HIS A 56 39.212 4.122 4.455 1.00 35.34 N ATOM 839 HA HIS A 56 38.214 5.691 8.421 1.00 0.00 H ATOM 840 HB2 HIS A 56 40.628 3.793 8.427 1.00 0.00 H ATOM 841 HB3 HIS A 56 38.958 3.182 8.369 1.00 0.00 H ATOM 842 HD2 HIS A 56 37.997 2.908 5.833 1.00 0.00 H ATOM 843 HE1 HIS A 56 40.759 5.497 3.876 1.00 0.00 H ATOM 844 H HIS A 56 39.801 7.185 8.102 1.00 0.00 H ATOM 845 N GLN A 57 39.046 5.720 11.228 1.00 24.61 N ATOM 846 CA GLN A 57 38.664 5.451 12.610 1.00 24.35 C ATOM 847 C GLN A 57 37.138 5.444 12.743 1.00 23.12 C ATOM 848 O GLN A 57 36.462 6.318 12.196 1.00 21.34 O ATOM 849 CB GLN A 57 39.243 6.530 13.526 1.00 26.69 C ATOM 850 CG GLN A 57 38.450 6.733 14.801 1.00 29.90 C ATOM 851 CD GLN A 57 39.272 6.483 16.041 1.00 32.90 C ATOM 852 OE1 GLN A 57 39.951 5.457 16.159 1.00 34.11 O ATOM 853 NE2 GLN A 57 39.213 7.418 16.981 1.00 34.09 N ATOM 854 HA GLN A 57 39.056 4.476 12.898 1.00 0.00 H ATOM 855 HB2 GLN A 57 40.260 6.245 13.794 1.00 0.00 H ATOM 856 HB3 GLN A 57 39.263 7.472 12.979 1.00 0.00 H ATOM 857 HG2 GLN A 57 38.084 7.759 14.825 1.00 0.00 H ATOM 858 HG3 GLN A 57 37.603 6.047 14.799 1.00 0.00 H ATOM 859 HE22 GLN A 57 38.627 8.265 16.836 1.00 0.00 H ATOM 860 HE21 GLN A 57 39.753 7.304 17.863 1.00 0.00 H ATOM 861 H GLN A 57 39.584 6.581 11.002 1.00 0.00 H ATOM 862 N VAL A 58 36.594 4.463 13.460 1.00 21.67 N ATOM 863 CA VAL A 58 35.146 4.413 13.666 1.00 20.87 C ATOM 864 C VAL A 58 34.789 5.507 14.671 1.00 20.52 C ATOM 865 O VAL A 58 35.390 5.578 15.742 1.00 21.44 O ATOM 866 CB VAL A 58 34.695 3.057 14.255 1.00 21.47 C ATOM 867 CG1 VAL A 58 33.188 3.062 14.476 1.00 21.66 C ATOM 868 CG2 VAL A 58 35.081 1.928 13.320 1.00 20.64 C ATOM 869 HA VAL A 58 34.650 4.549 12.705 1.00 0.00 H ATOM 870 HB VAL A 58 35.193 2.904 15.213 1.00 0.00 H ATOM 871 HG11 VAL A 58 32.927 3.861 15.170 1.00 0.00 H ATOM 872 HG12 VAL A 58 32.683 3.227 13.524 1.00 0.00 H ATOM 873 HG13 VAL A 58 32.880 2.102 14.891 1.00 0.00 H ATOM 874 HG21 VAL A 58 34.599 2.077 12.354 1.00 0.00 H ATOM 875 HG22 VAL A 58 36.163 1.920 13.190 1.00 0.00 H ATOM 876 HG23 VAL A 58 34.758 0.978 13.746 1.00 0.00 H ATOM 877 H VAL A 58 37.201 3.728 13.876 1.00 0.00 H ATOM 878 N VAL A 59 33.822 6.356 14.331 1.00 19.26 N ATOM 879 CA VAL A 59 33.416 7.424 15.234 1.00 19.75 C ATOM 880 C VAL A 59 32.002 7.236 15.770 1.00 20.43 C ATOM 881 O VAL A 59 31.652 7.788 16.817 1.00 21.14 O ATOM 882 CB VAL A 59 33.525 8.805 14.562 1.00 20.00 C ATOM 883 CG1 VAL A 59 34.985 9.112 14.272 1.00 21.37 C ATOM 884 CG2 VAL A 59 32.705 8.840 13.293 1.00 18.99 C ATOM 885 HA VAL A 59 34.107 7.376 16.076 1.00 0.00 H ATOM 886 HB VAL A 59 33.131 9.566 15.235 1.00 0.00 H ATOM 887 HG11 VAL A 59 35.547 9.116 15.206 1.00 0.00 H ATOM 888 HG12 VAL A 59 35.390 8.350 13.606 1.00 0.00 H ATOM 889 HG13 VAL A 59 35.062 10.090 13.796 1.00 0.00 H ATOM 890 HG21 VAL A 59 33.072 8.079 12.604 1.00 0.00 H ATOM 891 HG22 VAL A 59 31.660 8.642 13.532 1.00 0.00 H ATOM 892 HG23 VAL A 59 32.794 9.823 12.832 1.00 0.00 H ATOM 893 H VAL A 59 33.351 6.255 13.409 1.00 0.00 H ATOM 894 N ILE A 60 31.190 6.467 15.049 1.00 20.01 N ATOM 895 CA ILE A 60 29.829 6.195 15.491 1.00 19.92 C ATOM 896 C ILE A 60 29.404 4.789 15.081 1.00 18.74 C ATOM 897 O ILE A 60 29.750 4.304 14.002 1.00 17.16 O ATOM 898 CB ILE A 60 28.819 7.227 14.927 1.00 19.67 C ATOM 899 CG1 ILE A 60 27.431 6.957 15.516 1.00 20.67 C ATOM 900 CG2 ILE A 60 28.787 7.158 13.405 1.00 20.40 C ATOM 901 CD1 ILE A 60 26.418 8.078 15.300 1.00 21.07 C ATOM 902 HA ILE A 60 29.824 6.276 16.578 1.00 0.00 H ATOM 903 HB ILE A 60 29.131 8.232 15.211 1.00 0.00 H ATOM 904 HG12 ILE A 60 27.037 6.050 15.057 1.00 0.00 H ATOM 905 HG13 ILE A 60 27.542 6.801 16.589 1.00 0.00 H ATOM 906 HD11 ILE A 60 26.786 8.993 15.765 1.00 0.00 H ATOM 907 HD12 ILE A 60 26.281 8.241 14.231 1.00 0.00 H ATOM 908 HD13 ILE A 60 25.466 7.798 15.751 1.00 0.00 H ATOM 909 HG21 ILE A 60 29.779 7.379 13.012 1.00 0.00 H ATOM 910 HG22 ILE A 60 28.486 6.158 13.094 1.00 0.00 H ATOM 911 HG23 ILE A 60 28.073 7.889 13.024 1.00 0.00 H ATOM 912 H ILE A 60 31.532 6.054 14.158 1.00 0.00 H ATOM 913 N ASN A 61 28.673 4.135 15.971 1.00 19.39 N ATOM 914 CA ASN A 61 28.181 2.786 15.744 1.00 21.40 C ATOM 915 C ASN A 61 26.963 2.646 16.647 1.00 22.91 C ATOM 916 O ASN A 61 27.038 2.053 17.724 1.00 22.93 O ATOM 917 CB ASN A 61 29.262 1.764 16.118 1.00 23.13 C ATOM 918 CG ASN A 61 28.753 0.332 16.074 1.00 24.58 C ATOM 919 OD1 ASN A 61 27.885 -0.004 15.273 1.00 24.86 O ATOM 920 ND2 ASN A 61 29.307 -0.523 16.928 1.00 26.64 N ATOM 921 HA ASN A 61 27.925 2.607 14.700 1.00 0.00 H ATOM 922 HB2 ASN A 61 30.092 1.861 15.418 1.00 0.00 H ATOM 923 HB3 ASN A 61 29.612 1.979 17.127 1.00 0.00 H ATOM 924 HD22 ASN A 61 30.039 -0.196 17.590 1.00 0.00 H ATOM 925 HD21 ASN A 61 29.008 -1.519 16.934 1.00 0.00 H ATOM 926 H ASN A 61 28.441 4.606 16.869 1.00 0.00 H ATOM 927 N CYS A 62 25.840 3.203 16.206 1.00 23.24 N ATOM 928 CA CYS A 62 24.627 3.169 17.015 1.00 25.59 C ATOM 929 C CYS A 62 23.431 2.550 16.321 1.00 23.93 C ATOM 930 O CYS A 62 23.208 2.752 15.128 1.00 22.99 O ATOM 931 CB CYS A 62 24.259 4.581 17.453 1.00 28.06 C ATOM 932 SG CYS A 62 23.882 5.664 16.077 1.00 36.01 S ATOM 933 HA CYS A 62 24.861 2.532 17.868 1.00 0.00 H ATOM 934 HB2 CYS A 62 25.097 5.003 18.008 1.00 0.00 H ATOM 935 HB3 CYS A 62 23.385 4.527 18.103 1.00 0.00 H ATOM 936 HG CYS A 62 22.814 5.152 15.370 1.00 0.00 H ATOM 937 H CYS A 62 25.826 3.667 15.276 1.00 0.00 H ATOM 938 N ALA A 63 22.652 1.807 17.096 1.00 23.77 N ATOM 939 CA ALA A 63 21.465 1.158 16.578 1.00 23.40 C ATOM 940 C ALA A 63 20.395 2.191 16.238 1.00 23.68 C ATOM 941 O ALA A 63 20.413 3.314 16.745 1.00 23.71 O ATOM 942 CB ALA A 63 20.927 0.179 17.608 1.00 25.38 C ATOM 943 HA ALA A 63 21.729 0.620 15.668 1.00 0.00 H ATOM 944 HB1 ALA A 63 21.686 -0.573 17.824 1.00 0.00 H ATOM 945 HB2 ALA A 63 20.676 0.717 18.522 1.00 0.00 H ATOM 946 HB3 ALA A 63 20.034 -0.307 17.214 1.00 0.00 H ATOM 947 H ALA A 63 22.899 1.688 18.099 1.00 0.00 H ATOM 948 N ILE A 64 19.488 1.808 15.348 1.00 22.40 N ATOM 949 CA ILE A 64 18.374 2.660 14.959 1.00 23.18 C ATOM 950 C ILE A 64 17.159 1.887 15.453 1.00 23.82 C ATOM 951 O ILE A 64 16.742 0.900 14.841 1.00 23.86 O ATOM 952 CB ILE A 64 18.289 2.832 13.437 1.00 22.79 C ATOM 953 CG1 ILE A 64 19.554 3.519 12.923 1.00 21.67 C ATOM 954 CG2 ILE A 64 17.061 3.667 13.072 1.00 22.39 C ATOM 955 CD1 ILE A 64 19.669 3.517 11.415 1.00 23.86 C ATOM 956 HA ILE A 64 18.464 3.666 15.369 1.00 0.00 H ATOM 957 HB ILE A 64 18.200 1.850 12.973 1.00 0.00 H ATOM 958 HG12 ILE A 64 19.550 4.553 13.268 1.00 0.00 H ATOM 959 HG13 ILE A 64 20.420 3.002 13.336 1.00 0.00 H ATOM 960 HD11 ILE A 64 19.685 2.488 11.054 1.00 0.00 H ATOM 961 HD12 ILE A 64 18.814 4.040 10.986 1.00 0.00 H ATOM 962 HD13 ILE A 64 20.590 4.021 11.121 1.00 0.00 H ATOM 963 HG21 ILE A 64 16.162 3.163 13.427 1.00 0.00 H ATOM 964 HG22 ILE A 64 17.138 4.648 13.540 1.00 0.00 H ATOM 965 HG23 ILE A 64 17.011 3.783 11.989 1.00 0.00 H ATOM 966 H ILE A 64 19.576 0.867 14.914 1.00 0.00 H ATOM 967 N PRO A 65 16.594 2.307 16.590 1.00 23.98 N ATOM 968 CA PRO A 65 15.428 1.632 17.156 1.00 24.28 C ATOM 969 C PRO A 65 14.119 2.012 16.481 1.00 24.10 C ATOM 970 O PRO A 65 14.005 3.070 15.859 1.00 22.41 O ATOM 971 CB PRO A 65 15.462 2.073 18.612 1.00 25.13 C ATOM 972 CG PRO A 65 15.905 3.497 18.484 1.00 25.14 C ATOM 973 CD PRO A 65 17.036 3.408 17.469 1.00 24.91 C ATOM 974 HA PRO A 65 15.472 0.551 17.020 1.00 0.00 H ATOM 975 HD3 PRO A 65 17.140 4.339 16.912 1.00 0.00 H ATOM 976 HD2 PRO A 65 17.982 3.169 17.954 1.00 0.00 H ATOM 977 HG3 PRO A 65 16.263 3.885 19.438 1.00 0.00 H ATOM 978 HG2 PRO A 65 15.096 4.129 18.117 1.00 0.00 H ATOM 979 HB2 PRO A 65 14.477 2.002 19.073 1.00 0.00 H ATOM 980 HB3 PRO A 65 16.175 1.485 19.190 1.00 0.00 H ATOM 981 N LYS A 66 13.129 1.136 16.611 1.00 24.47 N ATOM 982 CA LYS A 66 11.817 1.394 16.047 1.00 24.60 C ATOM 983 C LYS A 66 11.301 2.650 16.745 1.00 24.18 C ATOM 984 O LYS A 66 11.543 2.838 17.934 1.00 24.22 O ATOM 985 CB LYS A 66 10.889 0.208 16.340 1.00 26.54 C ATOM 986 CG LYS A 66 9.548 0.254 15.627 1.00 28.84 C ATOM 987 CD LYS A 66 8.740 -1.022 15.876 1.00 30.93 C ATOM 988 CE LYS A 66 7.892 -0.919 17.127 1.00 32.11 C ATOM 989 NZ LYS A 66 6.844 0.135 16.980 1.00 32.69 N ATOM 990 HA LYS A 66 11.857 1.528 14.966 1.00 0.00 H ATOM 991 HB2 LYS A 66 11.402 -0.706 16.039 1.00 0.00 H ATOM 992 HB3 LYS A 66 10.701 0.182 17.413 1.00 0.00 H ATOM 993 HG2 LYS A 66 8.981 1.110 15.992 1.00 0.00 H ATOM 994 HG3 LYS A 66 9.719 0.363 14.556 1.00 0.00 H ATOM 995 HD2 LYS A 66 8.087 -1.199 15.021 1.00 0.00 H ATOM 996 HD3 LYS A 66 9.429 -1.860 15.985 1.00 0.00 H ATOM 997 HE2 LYS A 66 8.533 -0.669 17.972 1.00 0.00 H ATOM 998 HE3 LYS A 66 7.409 -1.879 17.310 1.00 0.00 H ATOM 999 HZ1 LYS A 66 7.300 1.054 16.810 1.00 0.00 H ATOM 1000 HZ2 LYS A 66 6.227 -0.101 16.177 1.00 0.00 H ATOM 1001 HZ3 LYS A 66 6.278 0.184 17.851 1.00 0.00 H ATOM 1002 H LYS A 66 13.297 0.249 17.127 1.00 0.00 H ATOM 1003 N GLY A 67 10.613 3.515 16.006 1.00 23.62 N ATOM 1004 CA GLY A 67 10.071 4.726 16.597 1.00 23.32 C ATOM 1005 C GLY A 67 11.036 5.896 16.682 1.00 23.13 C ATOM 1006 O GLY A 67 10.655 6.989 17.101 1.00 22.31 O ATOM 1007 HA3 GLY A 67 9.740 4.488 17.608 1.00 0.00 H ATOM 1008 HA2 GLY A 67 9.215 5.038 15.999 1.00 0.00 H ATOM 1009 H GLY A 67 10.461 3.323 14.995 1.00 0.00 H ATOM 1010 N LEU A 68 12.283 5.678 16.284 1.00 23.11 N ATOM 1011 CA LEU A 68 13.288 6.736 16.333 1.00 22.42 C ATOM 1012 C LEU A 68 12.792 8.012 15.659 1.00 21.85 C ATOM 1013 O LEU A 68 12.238 7.972 14.559 1.00 21.66 O ATOM 1014 CB LEU A 68 14.585 6.260 15.665 1.00 23.89 C ATOM 1015 CG LEU A 68 15.796 7.203 15.655 1.00 24.75 C ATOM 1016 CD1 LEU A 68 15.663 8.221 14.545 1.00 26.42 C ATOM 1017 CD2 LEU A 68 15.929 7.877 17.007 1.00 26.11 C ATOM 1018 HA LEU A 68 13.482 6.965 17.381 1.00 0.00 H ATOM 1019 HB2 LEU A 68 14.893 5.347 16.175 1.00 0.00 H ATOM 1020 HB3 LEU A 68 14.347 6.032 14.626 1.00 0.00 H ATOM 1021 HG LEU A 68 16.701 6.626 15.467 1.00 0.00 H ATOM 1022 HD21 LEU A 68 15.026 8.450 17.216 1.00 0.00 H ATOM 1023 HD22 LEU A 68 16.067 7.119 17.778 1.00 0.00 H ATOM 1024 HD23 LEU A 68 16.790 8.545 16.995 1.00 0.00 H ATOM 1025 HD11 LEU A 68 15.606 7.706 13.586 1.00 0.00 H ATOM 1026 HD12 LEU A 68 14.757 8.808 14.698 1.00 0.00 H ATOM 1027 HD13 LEU A 68 16.530 8.881 14.553 1.00 0.00 H ATOM 1028 H LEU A 68 12.549 4.737 15.931 1.00 0.00 H ATOM 1029 N LYS A 69 12.980 9.141 16.334 1.00 21.59 N ATOM 1030 CA LYS A 69 12.574 10.429 15.793 1.00 22.88 C ATOM 1031 C LYS A 69 13.813 11.090 15.195 1.00 23.15 C ATOM 1032 O LYS A 69 14.720 11.513 15.919 1.00 23.01 O ATOM 1033 CB LYS A 69 11.985 11.314 16.893 1.00 25.06 C ATOM 1034 CG LYS A 69 11.244 12.526 16.352 1.00 28.85 C ATOM 1035 CD LYS A 69 10.177 13.009 17.330 1.00 30.66 C ATOM 1036 CE LYS A 69 9.214 11.884 17.717 1.00 32.13 C ATOM 1037 NZ LYS A 69 8.530 11.253 16.545 1.00 32.59 N ATOM 1038 HA LYS A 69 11.806 10.292 15.032 1.00 0.00 H ATOM 1039 HB2 LYS A 69 11.290 10.717 17.483 1.00 0.00 H ATOM 1040 HB3 LYS A 69 12.797 11.661 17.532 1.00 0.00 H ATOM 1041 HG2 LYS A 69 11.958 13.331 16.180 1.00 0.00 H ATOM 1042 HG3 LYS A 69 10.766 12.258 15.409 1.00 0.00 H ATOM 1043 HD2 LYS A 69 10.665 13.382 18.230 1.00 0.00 H ATOM 1044 HD3 LYS A 69 9.610 13.816 16.865 1.00 0.00 H ATOM 1045 HE2 LYS A 69 8.453 12.294 18.381 1.00 0.00 H ATOM 1046 HE3 LYS A 69 9.777 11.114 18.244 1.00 0.00 H ATOM 1047 HZ1 LYS A 69 7.979 11.974 16.037 1.00 0.00 H ATOM 1048 HZ2 LYS A 69 9.243 10.847 15.906 1.00 0.00 H ATOM 1049 HZ3 LYS A 69 7.894 10.501 16.880 1.00 0.00 H ATOM 1050 H LYS A 69 13.428 9.103 17.272 1.00 0.00 H ATOM 1051 N TYR A 70 13.843 11.154 13.869 1.00 22.50 N ATOM 1052 CA TYR A 70 14.957 11.739 13.124 1.00 22.88 C ATOM 1053 C TYR A 70 14.617 13.186 12.787 1.00 23.27 C ATOM 1054 O TYR A 70 13.666 13.451 12.057 1.00 23.50 O ATOM 1055 CB TYR A 70 15.175 10.945 11.836 1.00 23.72 C ATOM 1056 CG TYR A 70 16.408 11.335 11.048 1.00 24.21 C ATOM 1057 CD1 TYR A 70 17.681 10.950 11.470 1.00 25.48 C ATOM 1058 CD2 TYR A 70 16.298 12.060 9.862 1.00 24.91 C ATOM 1059 CE1 TYR A 70 18.819 11.272 10.724 1.00 25.38 C ATOM 1060 CE2 TYR A 70 17.429 12.392 9.110 1.00 25.32 C ATOM 1061 CZ TYR A 70 18.685 11.992 9.548 1.00 25.35 C ATOM 1062 OH TYR A 70 19.803 12.320 8.810 1.00 26.31 O ATOM 1063 HA TYR A 70 15.867 11.707 13.723 1.00 0.00 H ATOM 1064 HB3 TYR A 70 14.304 11.090 11.197 1.00 0.00 H ATOM 1065 HB2 TYR A 70 15.260 9.890 12.098 1.00 0.00 H ATOM 1066 HD2 TYR A 70 15.313 12.373 9.515 1.00 0.00 H ATOM 1067 HE2 TYR A 70 17.326 12.961 8.186 1.00 0.00 H ATOM 1068 HE1 TYR A 70 19.805 10.958 11.066 1.00 0.00 H ATOM 1069 HD1 TYR A 70 17.790 10.388 12.398 1.00 0.00 H ATOM 1070 HH TYR A 70 19.873 13.305 8.740 1.00 0.00 H ATOM 1071 H TYR A 70 13.037 10.770 13.336 1.00 0.00 H ATOM 1072 N ASN A 71 15.407 14.116 13.309 1.00 23.49 N ATOM 1073 CA ASN A 71 15.166 15.536 13.088 1.00 24.09 C ATOM 1074 C ASN A 71 16.101 16.178 12.059 1.00 24.37 C ATOM 1075 O ASN A 71 17.321 16.127 12.191 1.00 22.34 O ATOM 1076 CB ASN A 71 15.268 16.270 14.432 1.00 25.62 C ATOM 1077 CG ASN A 71 15.049 17.763 14.306 1.00 27.75 C ATOM 1078 OD1 ASN A 71 15.998 18.543 14.307 1.00 30.56 O ATOM 1079 ND2 ASN A 71 13.794 18.167 14.190 1.00 28.12 N ATOM 1080 HA ASN A 71 14.165 15.628 12.666 1.00 0.00 H ATOM 1081 HB2 ASN A 71 14.516 15.864 15.108 1.00 0.00 H ATOM 1082 HB3 ASN A 71 16.261 16.098 14.848 1.00 0.00 H ATOM 1083 HD22 ASN A 71 13.021 17.471 14.194 1.00 0.00 H ATOM 1084 HD21 ASN A 71 13.581 19.180 14.095 1.00 0.00 H ATOM 1085 H ASN A 71 16.218 13.824 13.890 1.00 0.00 H ATOM 1086 N GLN A 72 15.515 16.785 11.031 1.00 25.24 N ATOM 1087 CA GLN A 72 16.301 17.446 9.998 1.00 27.42 C ATOM 1088 C GLN A 72 16.348 18.938 10.304 1.00 28.45 C ATOM 1089 O GLN A 72 15.711 19.749 9.623 1.00 29.30 O ATOM 1090 CB GLN A 72 15.684 17.202 8.622 1.00 28.36 C ATOM 1091 CG GLN A 72 15.647 15.733 8.225 1.00 30.03 C ATOM 1092 CD GLN A 72 15.075 15.504 6.840 1.00 30.47 C ATOM 1093 OE1 GLN A 72 15.588 16.023 5.849 1.00 32.13 O ATOM 1094 NE2 GLN A 72 14.007 14.721 6.765 1.00 31.15 N ATOM 1095 HA GLN A 72 17.313 17.041 9.988 1.00 0.00 H ATOM 1096 HB2 GLN A 72 14.663 17.584 8.629 1.00 0.00 H ATOM 1097 HB3 GLN A 72 16.269 17.746 7.880 1.00 0.00 H ATOM 1098 HG2 GLN A 72 16.664 15.341 8.249 1.00 0.00 H ATOM 1099 HG3 GLN A 72 15.034 15.194 8.947 1.00 0.00 H ATOM 1100 HE22 GLN A 72 13.607 14.303 7.629 1.00 0.00 H ATOM 1101 HE21 GLN A 72 13.570 14.525 5.842 1.00 0.00 H ATOM 1102 H GLN A 72 14.477 16.788 10.963 1.00 0.00 H ATOM 1103 N ALA A 73 17.107 19.280 11.342 1.00 29.27 N ATOM 1104 CA ALA A 73 17.269 20.657 11.806 1.00 29.84 C ATOM 1105 C ALA A 73 17.458 21.643 10.660 1.00 30.40 C ATOM 1106 O ALA A 73 16.790 22.675 10.603 1.00 30.57 O ATOM 1107 CB ALA A 73 18.446 20.742 12.769 1.00 29.62 C ATOM 1108 HA ALA A 73 16.348 20.937 12.318 1.00 0.00 H ATOM 1109 HB1 ALA A 73 18.262 20.092 13.624 1.00 0.00 H ATOM 1110 HB2 ALA A 73 19.355 20.424 12.259 1.00 0.00 H ATOM 1111 HB3 ALA A 73 18.561 21.771 13.111 1.00 0.00 H ATOM 1112 H ALA A 73 17.612 18.527 11.851 1.00 0.00 H ATOM 1113 N THR A 74 18.384 21.335 9.760 1.00 30.42 N ATOM 1114 CA THR A 74 18.629 22.191 8.608 1.00 30.09 C ATOM 1115 C THR A 74 18.832 21.309 7.390 1.00 29.66 C ATOM 1116 O THR A 74 18.741 20.086 7.481 1.00 28.59 O ATOM 1117 CB THR A 74 19.882 23.076 8.788 1.00 30.48 C ATOM 1118 OG1 THR A 74 21.061 22.263 8.730 1.00 32.19 O ATOM 1119 CG2 THR A 74 19.833 23.813 10.122 1.00 31.52 C ATOM 1120 HA THR A 74 17.769 22.851 8.492 1.00 0.00 H ATOM 1121 HB THR A 74 19.905 23.812 7.984 1.00 0.00 H ATOM 1122 HG1 THR A 74 21.861 22.835 8.846 1.00 0.00 H ATOM 1123 HG23 THR A 74 18.935 24.430 10.162 1.00 0.00 H ATOM 1124 HG21 THR A 74 19.814 23.088 10.936 1.00 0.00 H ATOM 1125 HG22 THR A 74 20.715 24.446 10.218 1.00 0.00 H ATOM 1126 H THR A 74 18.944 20.467 9.880 1.00 0.00 H ATOM 1127 N GLN A 75 19.106 21.928 6.249 1.00 29.20 N ATOM 1128 CA GLN A 75 19.317 21.173 5.026 1.00 29.95 C ATOM 1129 C GLN A 75 20.605 20.361 5.076 1.00 28.73 C ATOM 1130 O GLN A 75 20.759 19.402 4.327 1.00 29.90 O ATOM 1131 CB GLN A 75 19.336 22.112 3.818 1.00 31.14 C ATOM 1132 CG GLN A 75 17.945 22.528 3.346 1.00 34.41 C ATOM 1133 CD GLN A 75 17.988 23.574 2.248 1.00 35.94 C ATOM 1134 OE1 GLN A 75 18.224 24.753 2.510 1.00 38.49 O ATOM 1135 NE2 GLN A 75 17.770 23.145 1.009 1.00 37.45 N ATOM 1136 HA GLN A 75 18.487 20.474 4.927 1.00 0.00 H ATOM 1137 HB2 GLN A 75 19.892 23.010 4.088 1.00 0.00 H ATOM 1138 HB3 GLN A 75 19.842 21.606 2.996 1.00 0.00 H ATOM 1139 HG2 GLN A 75 17.426 21.647 2.968 1.00 0.00 H ATOM 1140 HG3 GLN A 75 17.396 22.935 4.195 1.00 0.00 H ATOM 1141 HE22 GLN A 75 17.574 22.139 0.834 1.00 0.00 H ATOM 1142 HE21 GLN A 75 17.795 23.816 0.215 1.00 0.00 H ATOM 1143 H GLN A 75 19.170 22.966 6.230 1.00 0.00 H ATOM 1144 N THR A 76 21.522 20.738 5.964 1.00 27.33 N ATOM 1145 CA THR A 76 22.790 20.025 6.085 1.00 26.64 C ATOM 1146 C THR A 76 23.090 19.467 7.476 1.00 25.28 C ATOM 1147 O THR A 76 24.135 18.850 7.681 1.00 24.48 O ATOM 1148 CB THR A 76 23.981 20.907 5.651 1.00 27.71 C ATOM 1149 OG1 THR A 76 23.908 22.173 6.317 1.00 29.12 O ATOM 1150 CG2 THR A 76 23.965 21.119 4.146 1.00 29.01 C ATOM 1151 HA THR A 76 22.669 19.173 5.415 1.00 0.00 H ATOM 1152 HB THR A 76 24.909 20.403 5.923 1.00 0.00 H ATOM 1153 HG1 THR A 76 24.672 22.736 6.037 1.00 0.00 H ATOM 1154 HG23 THR A 76 24.021 20.153 3.644 1.00 0.00 H ATOM 1155 HG21 THR A 76 23.043 21.625 3.861 1.00 0.00 H ATOM 1156 HG22 THR A 76 24.820 21.730 3.857 1.00 0.00 H ATOM 1157 H THR A 76 21.332 21.553 6.581 1.00 0.00 H ATOM 1158 N PHE A 77 22.193 19.680 8.433 1.00 23.23 N ATOM 1159 CA PHE A 77 22.419 19.143 9.773 1.00 22.53 C ATOM 1160 C PHE A 77 21.209 18.371 10.282 1.00 21.62 C ATOM 1161 O PHE A 77 20.126 18.930 10.447 1.00 22.10 O ATOM 1162 CB PHE A 77 22.755 20.256 10.768 1.00 22.22 C ATOM 1163 CG PHE A 77 23.218 19.746 12.101 1.00 21.01 C ATOM 1164 CD1 PHE A 77 24.536 19.348 12.288 1.00 22.41 C ATOM 1165 CD2 PHE A 77 22.326 19.622 13.161 1.00 21.14 C ATOM 1166 CE1 PHE A 77 24.961 18.832 13.509 1.00 22.63 C ATOM 1167 CE2 PHE A 77 22.742 19.106 14.385 1.00 21.75 C ATOM 1168 CZ PHE A 77 24.060 18.710 14.559 1.00 21.50 C ATOM 1169 HA PHE A 77 23.266 18.461 9.695 1.00 0.00 H ATOM 1170 HB2 PHE A 77 23.545 20.874 10.341 1.00 0.00 H ATOM 1171 HB3 PHE A 77 21.863 20.863 10.921 1.00 0.00 H ATOM 1172 HD2 PHE A 77 21.289 19.932 13.032 1.00 0.00 H ATOM 1173 HE2 PHE A 77 22.032 19.013 15.207 1.00 0.00 H ATOM 1174 HZ PHE A 77 24.387 18.305 15.516 1.00 0.00 H ATOM 1175 HE1 PHE A 77 25.998 18.524 13.641 1.00 0.00 H ATOM 1176 HD1 PHE A 77 25.247 19.441 11.467 1.00 0.00 H ATOM 1177 H PHE A 77 21.333 20.227 8.229 1.00 0.00 H ATOM 1178 N HIS A 78 21.402 17.082 10.534 1.00 20.72 N ATOM 1179 CA HIS A 78 20.333 16.230 11.037 1.00 20.12 C ATOM 1180 C HIS A 78 20.763 15.679 12.392 1.00 19.14 C ATOM 1181 O HIS A 78 21.955 15.567 12.668 1.00 18.14 O ATOM 1182 CB HIS A 78 20.075 15.075 10.064 1.00 20.42 C ATOM 1183 CG HIS A 78 19.614 15.516 8.705 1.00 22.80 C ATOM 1184 ND1 HIS A 78 19.377 14.631 7.677 1.00 22.57 N ATOM 1185 CD2 HIS A 78 19.336 16.747 8.211 1.00 23.17 C ATOM 1186 CE1 HIS A 78 18.972 15.295 6.609 1.00 23.84 C ATOM 1187 NE2 HIS A 78 18.939 16.581 6.906 1.00 23.63 N ATOM 1188 HA HIS A 78 19.413 16.806 11.137 1.00 0.00 H ATOM 1189 HB2 HIS A 78 21.001 14.511 9.947 1.00 0.00 H ATOM 1190 HB3 HIS A 78 19.310 14.429 10.493 1.00 0.00 H ATOM 1191 HD2 HIS A 78 19.413 17.692 8.748 1.00 0.00 H ATOM 1192 HE1 HIS A 78 18.710 14.856 5.646 1.00 0.00 H ATOM 1193 H HIS A 78 22.342 16.669 10.368 1.00 0.00 H ATOM 1194 N GLN A 79 19.801 15.335 13.237 1.00 19.02 N ATOM 1195 CA GLN A 79 20.140 14.807 14.548 1.00 19.92 C ATOM 1196 C GLN A 79 19.090 13.837 15.059 1.00 19.24 C ATOM 1197 O GLN A 79 17.971 13.778 14.551 1.00 18.53 O ATOM 1198 CB GLN A 79 20.311 15.958 15.552 1.00 21.50 C ATOM 1199 CG GLN A 79 19.066 16.811 15.754 1.00 24.74 C ATOM 1200 CD GLN A 79 19.331 18.037 16.609 1.00 26.61 C ATOM 1201 OE1 GLN A 79 19.965 17.951 17.661 1.00 28.19 O ATOM 1202 NE2 GLN A 79 18.838 19.183 16.165 1.00 28.58 N ATOM 1203 HA GLN A 79 21.078 14.261 14.447 1.00 0.00 H ATOM 1204 HB2 GLN A 79 20.591 15.531 16.515 1.00 0.00 H ATOM 1205 HB3 GLN A 79 21.113 16.605 15.195 1.00 0.00 H ATOM 1206 HG2 GLN A 79 18.704 17.137 14.779 1.00 0.00 H ATOM 1207 HG3 GLN A 79 18.302 16.204 16.240 1.00 0.00 H ATOM 1208 HE22 GLN A 79 18.308 19.209 15.270 1.00 0.00 H ATOM 1209 HE21 GLN A 79 18.980 20.057 16.711 1.00 0.00 H ATOM 1210 H GLN A 79 18.804 15.443 12.962 1.00 0.00 H ATOM 1211 N TRP A 80 19.486 13.052 16.049 1.00 19.35 N ATOM 1212 CA TRP A 80 18.596 12.092 16.682 1.00 20.27 C ATOM 1213 C TRP A 80 19.206 11.796 18.048 1.00 20.67 C ATOM 1214 O TRP A 80 20.328 12.208 18.340 1.00 20.00 O ATOM 1215 CB TRP A 80 18.484 10.820 15.841 1.00 20.32 C ATOM 1216 CG TRP A 80 19.702 9.951 15.848 1.00 21.02 C ATOM 1217 CD1 TRP A 80 19.990 8.951 16.732 1.00 21.31 C ATOM 1218 CD2 TRP A 80 20.796 9.999 14.924 1.00 22.18 C ATOM 1219 NE1 TRP A 80 21.193 8.368 16.414 1.00 22.07 N ATOM 1220 CE2 TRP A 80 21.712 8.993 15.309 1.00 21.91 C ATOM 1221 CE3 TRP A 80 21.092 10.793 13.806 1.00 23.27 C ATOM 1222 CZ2 TRP A 80 22.904 8.757 14.616 1.00 22.70 C ATOM 1223 CZ3 TRP A 80 22.277 10.562 13.116 1.00 22.56 C ATOM 1224 CH2 TRP A 80 23.170 9.549 13.525 1.00 23.37 C ATOM 1225 HA TRP A 80 17.584 12.486 16.779 1.00 0.00 H ATOM 1226 HB2 TRP A 80 17.648 10.234 16.222 1.00 0.00 H ATOM 1227 HB3 TRP A 80 18.282 11.112 14.810 1.00 0.00 H ATOM 1228 HE1 TRP A 80 21.638 7.581 16.928 1.00 0.00 H ATOM 1229 HD1 TRP A 80 19.357 8.657 17.569 1.00 0.00 H ATOM 1230 HZ2 TRP A 80 23.595 7.975 14.929 1.00 0.00 H ATOM 1231 HH2 TRP A 80 24.091 9.391 12.963 1.00 0.00 H ATOM 1232 HZ3 TRP A 80 22.520 11.173 12.246 1.00 0.00 H ATOM 1233 HE3 TRP A 80 20.406 11.576 13.484 1.00 0.00 H ATOM 1234 H TRP A 80 20.467 13.125 16.385 1.00 0.00 H ATOM 1235 N ARG A 81 18.476 11.093 18.896 1.00 21.87 N ATOM 1236 CA ARG A 81 19.024 10.816 20.204 1.00 24.99 C ATOM 1237 C ARG A 81 18.635 9.479 20.785 1.00 25.14 C ATOM 1238 O ARG A 81 17.786 8.769 20.248 1.00 24.42 O ATOM 1239 CB ARG A 81 18.607 11.922 21.176 1.00 27.41 C ATOM 1240 CG ARG A 81 17.153 12.366 21.031 1.00 30.78 C ATOM 1241 CD ARG A 81 16.796 13.408 22.083 1.00 33.29 C ATOM 1242 NE ARG A 81 15.660 14.250 21.704 1.00 35.10 N ATOM 1243 CZ ARG A 81 14.422 13.813 21.484 1.00 35.23 C ATOM 1244 NH1 ARG A 81 14.134 12.524 21.601 1.00 35.58 N ATOM 1245 NH2 ARG A 81 13.469 14.674 21.156 1.00 34.43 N ATOM 1246 HA ARG A 81 20.105 10.782 20.067 1.00 0.00 H ATOM 1247 HB2 ARG A 81 18.754 11.558 22.193 1.00 0.00 H ATOM 1248 HB3 ARG A 81 19.248 12.787 21.005 1.00 0.00 H ATOM 1249 HG2 ARG A 81 17.008 12.795 20.040 1.00 0.00 H ATOM 1250 HG3 ARG A 81 16.501 11.500 21.150 1.00 0.00 H ATOM 1251 HD2 ARG A 81 17.663 14.049 22.244 1.00 0.00 H ATOM 1252 HD3 ARG A 81 16.550 12.892 23.011 1.00 0.00 H ATOM 1253 HE ARG A 81 15.834 15.270 21.598 1.00 0.00 H ATOM 1254 HH12 ARG A 81 13.164 12.190 21.428 1.00 0.00 H ATOM 1255 HH11 ARG A 81 14.878 11.847 21.866 1.00 0.00 H ATOM 1256 HH22 ARG A 81 12.500 14.337 20.983 1.00 0.00 H ATOM 1257 HH21 ARG A 81 13.690 15.687 21.071 1.00 0.00 H ATOM 1258 H ARG A 81 17.532 10.748 18.629 1.00 0.00 H ATOM 1259 N ASP A 82 19.316 9.128 21.868 1.00 25.73 N ATOM 1260 CA ASP A 82 19.013 7.916 22.605 1.00 26.77 C ATOM 1261 C ASP A 82 19.008 8.370 24.058 1.00 25.72 C ATOM 1262 O ASP A 82 19.145 9.561 24.336 1.00 24.81 O ATOM 1263 CB ASP A 82 20.041 6.799 22.365 1.00 28.31 C ATOM 1264 CG ASP A 82 21.458 7.207 22.693 1.00 29.45 C ATOM 1265 OD1 ASP A 82 21.659 8.083 23.557 1.00 31.39 O ATOM 1266 OD2 ASP A 82 22.383 6.623 22.093 1.00 32.76 O ATOM 1267 HA ASP A 82 18.067 7.476 22.291 1.00 0.00 H ATOM 1268 HB2 ASP A 82 19.775 5.944 22.987 1.00 0.00 H ATOM 1269 HB3 ASP A 82 19.999 6.510 21.315 1.00 0.00 H ATOM 1270 H ASP A 82 20.090 9.740 22.198 1.00 0.00 H ATOM 1271 N ALA A 83 18.845 7.435 24.982 1.00 25.80 N ATOM 1272 CA ALA A 83 18.792 7.779 26.394 1.00 25.45 C ATOM 1273 C ALA A 83 20.054 8.445 26.935 1.00 25.57 C ATOM 1274 O ALA A 83 19.995 9.172 27.929 1.00 25.75 O ATOM 1275 CB ALA A 83 18.478 6.530 27.212 1.00 26.44 C ATOM 1276 HA ALA A 83 18.001 8.523 26.491 1.00 0.00 H ATOM 1277 HB1 ALA A 83 17.515 6.126 26.900 1.00 0.00 H ATOM 1278 HB2 ALA A 83 19.257 5.785 27.048 1.00 0.00 H ATOM 1279 HB3 ALA A 83 18.439 6.790 28.270 1.00 0.00 H ATOM 1280 H ALA A 83 18.754 6.440 24.693 1.00 0.00 H ATOM 1281 N ARG A 84 21.185 8.222 26.272 1.00 25.24 N ATOM 1282 CA ARG A 84 22.453 8.764 26.748 1.00 25.73 C ATOM 1283 C ARG A 84 22.967 10.041 26.093 1.00 25.51 C ATOM 1284 O ARG A 84 23.567 10.887 26.761 1.00 25.25 O ATOM 1285 CB ARG A 84 23.524 7.675 26.648 1.00 27.49 C ATOM 1286 CG ARG A 84 24.893 8.068 27.180 1.00 30.78 C ATOM 1287 CD ARG A 84 25.834 6.868 27.126 1.00 33.43 C ATOM 1288 NE ARG A 84 27.147 7.137 27.707 1.00 36.01 N ATOM 1289 CZ ARG A 84 28.046 7.971 27.192 1.00 37.58 C ATOM 1290 NH1 ARG A 84 27.786 8.633 26.072 1.00 38.53 N ATOM 1291 NH2 ARG A 84 29.217 8.138 27.798 1.00 37.97 N ATOM 1292 HA ARG A 84 22.244 9.070 27.773 1.00 0.00 H ATOM 1293 HB2 ARG A 84 23.178 6.808 27.211 1.00 0.00 H ATOM 1294 HB3 ARG A 84 23.634 7.404 25.598 1.00 0.00 H ATOM 1295 HG2 ARG A 84 25.300 8.875 26.571 1.00 0.00 H ATOM 1296 HG3 ARG A 84 24.797 8.406 28.212 1.00 0.00 H ATOM 1297 HD2 ARG A 84 25.969 6.580 26.083 1.00 0.00 H ATOM 1298 HD3 ARG A 84 25.376 6.044 27.672 1.00 0.00 H ATOM 1299 HE ARG A 84 27.397 6.641 28.586 1.00 0.00 H ATOM 1300 HH12 ARG A 84 28.494 9.283 25.676 1.00 0.00 H ATOM 1301 HH11 ARG A 84 26.874 8.502 25.590 1.00 0.00 H ATOM 1302 HH22 ARG A 84 29.922 8.790 27.397 1.00 0.00 H ATOM 1303 HH21 ARG A 84 29.429 7.617 28.673 1.00 0.00 H ATOM 1304 H ARG A 84 21.165 7.653 25.402 1.00 0.00 H ATOM 1305 N GLN A 85 22.749 10.197 24.794 1.00 24.47 N ATOM 1306 CA GLN A 85 23.252 11.395 24.131 1.00 24.25 C ATOM 1307 C GLN A 85 22.503 11.759 22.860 1.00 22.38 C ATOM 1308 O GLN A 85 21.663 11.001 22.377 1.00 20.86 O ATOM 1309 CB GLN A 85 24.736 11.207 23.812 1.00 27.75 C ATOM 1310 CG GLN A 85 25.004 10.036 22.877 1.00 31.20 C ATOM 1311 CD GLN A 85 26.229 9.233 23.274 1.00 33.63 C ATOM 1312 OE1 GLN A 85 27.329 9.772 23.406 1.00 36.24 O ATOM 1313 NE2 GLN A 85 26.042 7.929 23.465 1.00 36.33 N ATOM 1314 HA GLN A 85 23.097 12.222 24.824 1.00 0.00 H ATOM 1315 HB2 GLN A 85 25.108 12.118 23.343 1.00 0.00 H ATOM 1316 HB3 GLN A 85 25.272 11.035 24.745 1.00 0.00 H ATOM 1317 HG2 GLN A 85 24.136 9.376 22.888 1.00 0.00 H ATOM 1318 HG3 GLN A 85 25.153 10.422 21.869 1.00 0.00 H ATOM 1319 HE22 GLN A 85 25.095 7.516 23.342 1.00 0.00 H ATOM 1320 HE21 GLN A 85 26.842 7.323 23.737 1.00 0.00 H ATOM 1321 H GLN A 85 22.227 9.476 24.256 1.00 0.00 H ATOM 1322 N VAL A 86 22.820 12.935 22.329 1.00 20.28 N ATOM 1323 CA VAL A 86 22.208 13.418 21.103 1.00 20.43 C ATOM 1324 C VAL A 86 23.286 13.360 20.028 1.00 20.05 C ATOM 1325 O VAL A 86 24.390 13.880 20.219 1.00 20.25 O ATOM 1326 CB VAL A 86 21.724 14.881 21.251 1.00 19.85 C ATOM 1327 CG1 VAL A 86 21.101 15.355 19.947 1.00 20.93 C ATOM 1328 CG2 VAL A 86 20.716 14.988 22.386 1.00 22.31 C ATOM 1329 HA VAL A 86 21.340 12.807 20.854 1.00 0.00 H ATOM 1330 HB VAL A 86 22.579 15.515 21.484 1.00 0.00 H ATOM 1331 HG11 VAL A 86 21.843 15.300 19.150 1.00 0.00 H ATOM 1332 HG12 VAL A 86 20.252 14.718 19.699 1.00 0.00 H ATOM 1333 HG13 VAL A 86 20.763 16.385 20.060 1.00 0.00 H ATOM 1334 HG21 VAL A 86 19.860 14.348 22.172 1.00 0.00 H ATOM 1335 HG22 VAL A 86 21.185 14.670 23.317 1.00 0.00 H ATOM 1336 HG23 VAL A 86 20.384 16.022 22.479 1.00 0.00 H ATOM 1337 H VAL A 86 23.528 13.528 22.806 1.00 0.00 H ATOM 1338 N TYR A 87 22.976 12.704 18.914 1.00 19.60 N ATOM 1339 CA TYR A 87 23.921 12.585 17.814 1.00 20.19 C ATOM 1340 C TYR A 87 23.546 13.578 16.733 1.00 18.90 C ATOM 1341 O TYR A 87 22.370 13.879 16.545 1.00 18.62 O ATOM 1342 CB TYR A 87 23.888 11.179 17.217 1.00 22.22 C ATOM 1343 CG TYR A 87 24.075 10.085 18.231 1.00 25.14 C ATOM 1344 CD1 TYR A 87 22.991 9.585 18.953 1.00 26.46 C ATOM 1345 CD2 TYR A 87 25.340 9.580 18.503 1.00 26.52 C ATOM 1346 CE1 TYR A 87 23.166 8.609 19.926 1.00 28.65 C ATOM 1347 CE2 TYR A 87 25.528 8.601 19.477 1.00 29.50 C ATOM 1348 CZ TYR A 87 24.437 8.123 20.184 1.00 30.10 C ATOM 1349 OH TYR A 87 24.620 7.165 21.156 1.00 32.78 O ATOM 1350 HA TYR A 87 24.923 12.785 18.194 1.00 0.00 H ATOM 1351 HB3 TYR A 87 24.684 11.101 16.476 1.00 0.00 H ATOM 1352 HB2 TYR A 87 22.924 11.035 16.729 1.00 0.00 H ATOM 1353 HD2 TYR A 87 26.199 9.955 17.946 1.00 0.00 H ATOM 1354 HE2 TYR A 87 26.526 8.214 19.681 1.00 0.00 H ATOM 1355 HE1 TYR A 87 22.309 8.229 20.482 1.00 0.00 H ATOM 1356 HD1 TYR A 87 21.990 9.966 18.750 1.00 0.00 H ATOM 1357 HH TYR A 87 23.746 6.936 21.561 1.00 0.00 H ATOM 1358 H TYR A 87 22.037 12.266 18.827 1.00 0.00 H ATOM 1359 N GLY A 88 24.551 14.074 16.025 1.00 17.36 N ATOM 1360 CA GLY A 88 24.303 15.020 14.959 1.00 18.24 C ATOM 1361 C GLY A 88 25.197 14.725 13.774 1.00 17.72 C ATOM 1362 O GLY A 88 26.322 14.246 13.938 1.00 17.47 O ATOM 1363 HA3 GLY A 88 24.505 16.029 15.319 1.00 0.00 H ATOM 1364 HA2 GLY A 88 23.260 14.948 14.650 1.00 0.00 H ATOM 1365 H GLY A 88 25.526 13.781 16.238 1.00 0.00 H ATOM 1366 N LEU A 89 24.685 14.983 12.578 1.00 16.73 N ATOM 1367 CA LEU A 89 25.448 14.772 11.360 1.00 17.90 C ATOM 1368 C LEU A 89 25.471 16.076 10.572 1.00 17.55 C ATOM 1369 O LEU A 89 24.422 16.600 10.196 1.00 15.72 O ATOM 1370 CB LEU A 89 24.816 13.668 10.511 1.00 18.95 C ATOM 1371 CG LEU A 89 24.843 12.245 11.078 1.00 20.65 C ATOM 1372 CD1 LEU A 89 24.143 11.299 10.112 1.00 20.75 C ATOM 1373 CD2 LEU A 89 26.274 11.799 11.294 1.00 20.63 C ATOM 1374 HA LEU A 89 26.462 14.465 11.617 1.00 0.00 H ATOM 1375 HB2 LEU A 89 23.772 13.936 10.348 1.00 0.00 H ATOM 1376 HB3 LEU A 89 25.339 13.650 9.555 1.00 0.00 H ATOM 1377 HG LEU A 89 24.323 12.231 12.036 1.00 0.00 H ATOM 1378 HD21 LEU A 89 26.806 11.816 10.343 1.00 0.00 H ATOM 1379 HD22 LEU A 89 26.762 12.474 11.997 1.00 0.00 H ATOM 1380 HD23 LEU A 89 26.281 10.786 11.697 1.00 0.00 H ATOM 1381 HD11 LEU A 89 23.109 11.618 9.979 1.00 0.00 H ATOM 1382 HD12 LEU A 89 24.657 11.317 9.151 1.00 0.00 H ATOM 1383 HD13 LEU A 89 24.163 10.287 10.517 1.00 0.00 H ATOM 1384 H LEU A 89 23.713 15.346 12.510 1.00 0.00 H ATOM 1385 N ASN A 90 26.666 16.617 10.363 1.00 18.72 N ATOM 1386 CA ASN A 90 26.815 17.843 9.591 1.00 21.09 C ATOM 1387 C ASN A 90 27.298 17.375 8.224 1.00 20.46 C ATOM 1388 O ASN A 90 28.489 17.148 8.022 1.00 21.13 O ATOM 1389 CB ASN A 90 27.847 18.767 10.239 1.00 24.48 C ATOM 1390 CG ASN A 90 27.803 20.168 9.667 1.00 29.51 C ATOM 1391 OD1 ASN A 90 28.078 20.376 8.483 1.00 32.28 O ATOM 1392 ND2 ASN A 90 27.443 21.137 10.502 1.00 32.14 N ATOM 1393 HA ASN A 90 25.887 18.411 9.532 1.00 0.00 H ATOM 1394 HB2 ASN A 90 27.648 18.819 11.310 1.00 0.00 H ATOM 1395 HB3 ASN A 90 28.841 18.352 10.075 1.00 0.00 H ATOM 1396 HD22 ASN A 90 27.220 20.913 11.493 1.00 0.00 H ATOM 1397 HD21 ASN A 90 27.384 22.119 10.165 1.00 0.00 H ATOM 1398 H ASN A 90 27.511 16.157 10.758 1.00 0.00 H ATOM 1399 N PHE A 91 26.362 17.221 7.289 1.00 20.43 N ATOM 1400 CA PHE A 91 26.693 16.716 5.960 1.00 20.04 C ATOM 1401 C PHE A 91 27.573 17.607 5.102 1.00 21.03 C ATOM 1402 O PHE A 91 27.484 18.834 5.158 1.00 19.46 O ATOM 1403 CB PHE A 91 25.416 16.372 5.195 1.00 19.65 C ATOM 1404 CG PHE A 91 24.599 15.299 5.848 1.00 19.11 C ATOM 1405 CD1 PHE A 91 23.657 15.620 6.821 1.00 18.95 C ATOM 1406 CD2 PHE A 91 24.791 13.963 5.513 1.00 19.59 C ATOM 1407 CE1 PHE A 91 22.913 14.624 7.455 1.00 19.65 C ATOM 1408 CE2 PHE A 91 24.052 12.956 6.140 1.00 19.82 C ATOM 1409 CZ PHE A 91 23.112 13.290 7.113 1.00 20.06 C ATOM 1410 HA PHE A 91 27.297 15.830 6.155 1.00 0.00 H ATOM 1411 HB2 PHE A 91 24.806 17.272 5.119 1.00 0.00 H ATOM 1412 HB3 PHE A 91 25.692 16.036 4.196 1.00 0.00 H ATOM 1413 HD2 PHE A 91 25.526 13.698 4.753 1.00 0.00 H ATOM 1414 HE2 PHE A 91 24.210 11.912 5.869 1.00 0.00 H ATOM 1415 HZ PHE A 91 22.534 12.508 7.605 1.00 0.00 H ATOM 1416 HE1 PHE A 91 22.179 14.890 8.215 1.00 0.00 H ATOM 1417 HD1 PHE A 91 23.498 16.664 7.092 1.00 0.00 H ATOM 1418 H PHE A 91 25.376 17.465 7.510 1.00 0.00 H ATOM 1419 N GLY A 92 28.415 16.959 4.300 1.00 22.49 N ATOM 1420 CA GLY A 92 29.324 17.666 3.415 1.00 24.13 C ATOM 1421 C GLY A 92 28.603 18.452 2.337 1.00 25.31 C ATOM 1422 O GLY A 92 29.173 19.377 1.750 1.00 25.84 O ATOM 1423 HA3 GLY A 92 29.980 16.939 2.936 1.00 0.00 H ATOM 1424 HA2 GLY A 92 29.922 18.357 4.009 1.00 0.00 H ATOM 1425 H GLY A 92 28.422 15.919 4.307 1.00 0.00 H ATOM 1426 N SER A 93 27.353 18.086 2.075 1.00 25.09 N ATOM 1427 CA SER A 93 26.550 18.772 1.069 1.00 26.17 C ATOM 1428 C SER A 93 25.067 18.481 1.278 1.00 25.99 C ATOM 1429 O SER A 93 24.701 17.551 1.997 1.00 23.89 O ATOM 1430 CB SER A 93 26.954 18.325 -0.336 1.00 27.51 C ATOM 1431 OG SER A 93 26.518 17.005 -0.600 1.00 28.25 O ATOM 1432 HA SER A 93 26.727 19.843 1.173 1.00 0.00 H ATOM 1433 HB2 SER A 93 28.040 18.365 -0.423 1.00 0.00 H ATOM 1434 HB3 SER A 93 26.507 19.000 -1.066 1.00 0.00 H ATOM 1435 HG SER A 93 26.925 16.387 0.057 1.00 0.00 H ATOM 1436 H SER A 93 26.937 17.291 2.600 1.00 0.00 H ATOM 1437 N LYS A 94 24.217 19.277 0.640 1.00 26.02 N ATOM 1438 CA LYS A 94 22.777 19.088 0.758 1.00 26.26 C ATOM 1439 C LYS A 94 22.391 17.749 0.140 1.00 25.73 C ATOM 1440 O LYS A 94 21.465 17.081 0.606 1.00 25.25 O ATOM 1441 CB LYS A 94 22.035 20.233 0.054 1.00 27.93 C ATOM 1442 CG LYS A 94 22.353 21.609 0.627 1.00 30.77 C ATOM 1443 CD LYS A 94 21.830 22.736 -0.263 1.00 32.88 C ATOM 1444 CE LYS A 94 22.280 24.099 0.258 1.00 34.99 C ATOM 1445 NZ LYS A 94 21.920 25.224 -0.663 1.00 36.69 N ATOM 1446 HA LYS A 94 22.496 19.091 1.811 1.00 0.00 H ATOM 1447 HB2 LYS A 94 22.311 20.226 -1.000 1.00 0.00 H ATOM 1448 HB3 LYS A 94 20.963 20.059 0.149 1.00 0.00 H ATOM 1449 HG2 LYS A 94 21.893 21.695 1.611 1.00 0.00 H ATOM 1450 HG3 LYS A 94 23.434 21.709 0.723 1.00 0.00 H ATOM 1451 HD2 LYS A 94 22.211 22.597 -1.275 1.00 0.00 H ATOM 1452 HD3 LYS A 94 20.741 22.702 -0.278 1.00 0.00 H ATOM 1453 HE2 LYS A 94 23.363 24.084 0.382 1.00 0.00 H ATOM 1454 HE3 LYS A 94 21.807 24.276 1.224 1.00 0.00 H ATOM 1455 HZ1 LYS A 94 22.373 25.072 -1.587 1.00 0.00 H ATOM 1456 HZ2 LYS A 94 20.887 25.256 -0.783 1.00 0.00 H ATOM 1457 HZ3 LYS A 94 22.251 26.122 -0.257 1.00 0.00 H ATOM 1458 H LYS A 94 24.585 20.048 0.047 1.00 0.00 H ATOM 1459 N GLU A 95 23.109 17.355 -0.908 1.00 25.43 N ATOM 1460 CA GLU A 95 22.837 16.089 -1.581 1.00 26.18 C ATOM 1461 C GLU A 95 23.113 14.911 -0.654 1.00 25.06 C ATOM 1462 O GLU A 95 22.366 13.931 -0.644 1.00 24.70 O ATOM 1463 CB GLU A 95 23.697 15.966 -2.839 1.00 29.29 C ATOM 1464 CG GLU A 95 23.610 14.611 -3.513 1.00 33.66 C ATOM 1465 CD GLU A 95 24.626 14.458 -4.624 1.00 36.09 C ATOM 1466 OE1 GLU A 95 25.831 14.669 -4.357 1.00 38.12 O ATOM 1467 OE2 GLU A 95 24.224 14.125 -5.762 1.00 38.34 O ATOM 1468 HA GLU A 95 21.783 16.073 -1.860 1.00 0.00 H ATOM 1469 HB2 GLU A 95 23.374 16.725 -3.551 1.00 0.00 H ATOM 1470 HB3 GLU A 95 24.736 16.146 -2.564 1.00 0.00 H ATOM 1471 HG2 GLU A 95 23.786 13.836 -2.767 1.00 0.00 H ATOM 1472 HG3 GLU A 95 22.611 14.491 -3.932 1.00 0.00 H ATOM 1473 H GLU A 95 23.880 17.961 -1.255 1.00 0.00 H ATOM 1474 N ASP A 96 24.194 15.001 0.116 1.00 23.83 N ATOM 1475 CA ASP A 96 24.538 13.938 1.056 1.00 22.93 C ATOM 1476 C ASP A 96 23.424 13.836 2.101 1.00 21.79 C ATOM 1477 O ASP A 96 22.982 12.742 2.458 1.00 20.61 O ATOM 1478 CB ASP A 96 25.871 14.246 1.759 1.00 25.04 C ATOM 1479 CG ASP A 96 27.094 13.923 0.897 1.00 26.67 C ATOM 1480 OD1 ASP A 96 27.481 12.740 0.814 1.00 27.38 O ATOM 1481 OD2 ASP A 96 27.674 14.857 0.302 1.00 28.79 O ATOM 1482 HA ASP A 96 24.644 12.998 0.515 1.00 0.00 H ATOM 1483 HB2 ASP A 96 25.894 15.306 2.010 1.00 0.00 H ATOM 1484 HB3 ASP A 96 25.925 13.656 2.674 1.00 0.00 H ATOM 1485 H ASP A 96 24.803 15.841 0.047 1.00 0.00 H ATOM 1486 N ALA A 97 22.962 14.984 2.585 1.00 20.15 N ATOM 1487 CA ALA A 97 21.918 15.008 3.602 1.00 20.64 C ATOM 1488 C ALA A 97 20.608 14.406 3.117 1.00 20.93 C ATOM 1489 O ALA A 97 19.977 13.611 3.814 1.00 19.91 O ATOM 1490 CB ALA A 97 21.681 16.437 4.069 1.00 20.10 C ATOM 1491 HA ALA A 97 22.269 14.393 4.431 1.00 0.00 H ATOM 1492 HB1 ALA A 97 22.603 16.838 4.490 1.00 0.00 H ATOM 1493 HB2 ALA A 97 21.372 17.048 3.221 1.00 0.00 H ATOM 1494 HB3 ALA A 97 20.899 16.445 4.829 1.00 0.00 H ATOM 1495 H ALA A 97 23.352 15.881 2.232 1.00 0.00 H ATOM 1496 N ASN A 98 20.192 14.793 1.919 1.00 21.14 N ATOM 1497 CA ASN A 98 18.938 14.294 1.383 1.00 22.66 C ATOM 1498 C ASN A 98 18.927 12.788 1.164 1.00 23.38 C ATOM 1499 O ASN A 98 17.938 12.123 1.467 1.00 23.52 O ATOM 1500 CB ASN A 98 18.601 15.026 0.087 1.00 24.07 C ATOM 1501 CG ASN A 98 18.345 16.505 0.315 1.00 24.76 C ATOM 1502 OD1 ASN A 98 17.847 16.897 1.371 1.00 25.97 O ATOM 1503 ND2 ASN A 98 18.673 17.329 -0.673 1.00 26.83 N ATOM 1504 HA ASN A 98 18.173 14.494 2.134 1.00 0.00 H ATOM 1505 HB2 ASN A 98 19.435 14.916 -0.606 1.00 0.00 H ATOM 1506 HB3 ASN A 98 17.708 14.578 -0.348 1.00 0.00 H ATOM 1507 HD22 ASN A 98 19.091 16.952 -1.547 1.00 0.00 H ATOM 1508 HD21 ASN A 98 18.512 18.351 -0.573 1.00 0.00 H ATOM 1509 H ASN A 98 20.766 15.457 1.361 1.00 0.00 H ATOM 1510 N VAL A 99 20.020 12.245 0.645 1.00 23.56 N ATOM 1511 CA VAL A 99 20.082 10.809 0.406 1.00 23.90 C ATOM 1512 C VAL A 99 20.107 10.037 1.721 1.00 22.67 C ATOM 1513 O VAL A 99 19.472 8.992 1.849 1.00 23.30 O ATOM 1514 CB VAL A 99 21.318 10.431 -0.442 1.00 24.66 C ATOM 1515 CG1 VAL A 99 21.269 11.165 -1.770 1.00 25.96 C ATOM 1516 CG2 VAL A 99 22.600 10.767 0.306 1.00 26.19 C ATOM 1517 HA VAL A 99 19.184 10.536 -0.149 1.00 0.00 H ATOM 1518 HB VAL A 99 21.306 9.357 -0.629 1.00 0.00 H ATOM 1519 HG11 VAL A 99 20.362 10.884 -2.306 1.00 0.00 H ATOM 1520 HG12 VAL A 99 21.268 12.240 -1.590 1.00 0.00 H ATOM 1521 HG13 VAL A 99 22.142 10.896 -2.365 1.00 0.00 H ATOM 1522 HG21 VAL A 99 22.627 11.836 0.516 1.00 0.00 H ATOM 1523 HG22 VAL A 99 22.629 10.211 1.243 1.00 0.00 H ATOM 1524 HG23 VAL A 99 23.459 10.494 -0.307 1.00 0.00 H ATOM 1525 H VAL A 99 20.835 12.846 0.408 1.00 0.00 H ATOM 1526 N PHE A 100 20.832 10.551 2.706 1.00 21.17 N ATOM 1527 CA PHE A 100 20.900 9.868 3.990 1.00 19.92 C ATOM 1528 C PHE A 100 19.525 9.891 4.650 1.00 19.94 C ATOM 1529 O PHE A 100 19.085 8.892 5.220 1.00 19.61 O ATOM 1530 CB PHE A 100 21.917 10.534 4.912 1.00 20.22 C ATOM 1531 CG PHE A 100 22.180 9.761 6.165 1.00 18.79 C ATOM 1532 CD1 PHE A 100 23.183 8.793 6.208 1.00 19.90 C ATOM 1533 CD2 PHE A 100 21.417 9.985 7.303 1.00 18.94 C ATOM 1534 CE1 PHE A 100 23.419 8.065 7.376 1.00 18.51 C ATOM 1535 CE2 PHE A 100 21.645 9.263 8.469 1.00 19.25 C ATOM 1536 CZ PHE A 100 22.654 8.299 8.501 1.00 19.84 C ATOM 1537 HA PHE A 100 21.215 8.839 3.817 1.00 0.00 H ATOM 1538 HB2 PHE A 100 22.856 10.643 4.369 1.00 0.00 H ATOM 1539 HB3 PHE A 100 21.541 11.520 5.186 1.00 0.00 H ATOM 1540 HD2 PHE A 100 20.628 10.737 7.282 1.00 0.00 H ATOM 1541 HE2 PHE A 100 21.038 9.449 9.355 1.00 0.00 H ATOM 1542 HZ PHE A 100 22.838 7.732 9.413 1.00 0.00 H ATOM 1543 HE1 PHE A 100 24.207 7.312 7.399 1.00 0.00 H ATOM 1544 HD1 PHE A 100 23.788 8.603 5.322 1.00 0.00 H ATOM 1545 H PHE A 100 21.351 11.441 2.561 1.00 0.00 H ATOM 1546 N ALA A 101 18.854 11.037 4.580 1.00 19.58 N ATOM 1547 CA ALA A 101 17.524 11.168 5.159 1.00 20.56 C ATOM 1548 C ALA A 101 16.598 10.137 4.514 1.00 20.52 C ATOM 1549 O ALA A 101 15.841 9.459 5.207 1.00 21.11 O ATOM 1550 CB ALA A 101 16.988 12.578 4.935 1.00 21.26 C ATOM 1551 HA ALA A 101 17.573 10.990 6.233 1.00 0.00 H ATOM 1552 HB1 ALA A 101 17.656 13.298 5.407 1.00 0.00 H ATOM 1553 HB2 ALA A 101 16.933 12.779 3.865 1.00 0.00 H ATOM 1554 HB3 ALA A 101 15.993 12.661 5.373 1.00 0.00 H ATOM 1555 H ALA A 101 19.287 11.854 4.103 1.00 0.00 H ATOM 1556 N SER A 102 16.674 10.012 3.190 1.00 20.56 N ATOM 1557 CA SER A 102 15.843 9.054 2.457 1.00 21.58 C ATOM 1558 C SER A 102 16.065 7.624 2.923 1.00 21.37 C ATOM 1559 O SER A 102 15.111 6.862 3.092 1.00 21.98 O ATOM 1560 CB SER A 102 16.129 9.128 0.955 1.00 22.48 C ATOM 1561 OG SER A 102 15.571 10.294 0.378 1.00 27.96 O ATOM 1562 HA SER A 102 14.807 9.328 2.658 1.00 0.00 H ATOM 1563 HB2 SER A 102 15.700 8.252 0.469 1.00 0.00 H ATOM 1564 HB3 SER A 102 17.208 9.137 0.799 1.00 0.00 H ATOM 1565 HG SER A 102 15.960 11.094 0.812 1.00 0.00 H ATOM 1566 H SER A 102 17.341 10.611 2.663 1.00 0.00 H ATOM 1567 N ALA A 103 17.328 7.259 3.115 1.00 20.26 N ATOM 1568 CA ALA A 103 17.671 5.917 3.564 1.00 19.76 C ATOM 1569 C ALA A 103 17.157 5.707 4.985 1.00 18.97 C ATOM 1570 O ALA A 103 16.646 4.639 5.313 1.00 17.80 O ATOM 1571 CB ALA A 103 19.183 5.712 3.503 1.00 18.74 C ATOM 1572 HA ALA A 103 17.201 5.185 2.907 1.00 0.00 H ATOM 1573 HB1 ALA A 103 19.525 5.844 2.477 1.00 0.00 H ATOM 1574 HB2 ALA A 103 19.674 6.441 4.148 1.00 0.00 H ATOM 1575 HB3 ALA A 103 19.426 4.705 3.841 1.00 0.00 H ATOM 1576 H ALA A 103 18.088 7.947 2.941 1.00 0.00 H ATOM 1577 N MET A 104 17.285 6.727 5.830 1.00 18.69 N ATOM 1578 CA MET A 104 16.800 6.614 7.207 1.00 18.97 C ATOM 1579 C MET A 104 15.296 6.363 7.207 1.00 19.85 C ATOM 1580 O MET A 104 14.798 5.520 7.963 1.00 20.50 O ATOM 1581 CB MET A 104 17.094 7.888 8.005 1.00 18.70 C ATOM 1582 CG MET A 104 16.588 7.851 9.460 1.00 18.68 C ATOM 1583 SD MET A 104 17.318 6.527 10.486 1.00 17.91 S ATOM 1584 CE MET A 104 19.067 6.973 10.344 1.00 20.52 C ATOM 1585 HA MET A 104 17.320 5.779 7.677 1.00 0.00 H ATOM 1586 HB2 MET A 104 18.173 8.040 8.022 1.00 0.00 H ATOM 1587 HB3 MET A 104 16.618 8.727 7.498 1.00 0.00 H ATOM 1588 HG2 MET A 104 15.507 7.710 9.441 1.00 0.00 H ATOM 1589 HG3 MET A 104 16.820 8.809 9.925 1.00 0.00 H ATOM 1590 HE1 MET A 104 19.364 6.943 9.296 1.00 0.00 H ATOM 1591 HE2 MET A 104 19.217 7.979 10.737 1.00 0.00 H ATOM 1592 HE3 MET A 104 19.669 6.265 10.914 1.00 0.00 H ATOM 1593 H MET A 104 17.732 7.610 5.510 1.00 0.00 H ATOM 1594 N MET A 105 14.566 7.093 6.366 1.00 20.45 N ATOM 1595 CA MET A 105 13.123 6.913 6.308 1.00 21.33 C ATOM 1596 C MET A 105 12.792 5.510 5.810 1.00 22.45 C ATOM 1597 O MET A 105 11.784 4.923 6.208 1.00 21.91 O ATOM 1598 CB MET A 105 12.481 7.974 5.407 1.00 22.16 C ATOM 1599 CG MET A 105 12.596 9.398 5.958 1.00 22.74 C ATOM 1600 SD MET A 105 11.902 9.616 7.628 1.00 22.93 S ATOM 1601 CE MET A 105 13.392 9.827 8.576 1.00 23.71 C ATOM 1602 HA MET A 105 12.715 7.032 7.312 1.00 0.00 H ATOM 1603 HB2 MET A 105 12.969 7.941 4.433 1.00 0.00 H ATOM 1604 HB3 MET A 105 11.424 7.734 5.290 1.00 0.00 H ATOM 1605 HG2 MET A 105 12.070 10.070 5.280 1.00 0.00 H ATOM 1606 HG3 MET A 105 13.652 9.668 5.989 1.00 0.00 H ATOM 1607 HE1 MET A 105 14.016 8.939 8.472 1.00 0.00 H ATOM 1608 HE2 MET A 105 13.934 10.698 8.209 1.00 0.00 H ATOM 1609 HE3 MET A 105 13.136 9.972 9.625 1.00 0.00 H ATOM 1610 H MET A 105 15.027 7.792 5.750 1.00 0.00 H ATOM 1611 N HIS A 106 13.652 4.960 4.956 1.00 23.23 N ATOM 1612 CA HIS A 106 13.433 3.612 4.431 1.00 25.07 C ATOM 1613 C HIS A 106 13.632 2.603 5.556 1.00 24.37 C ATOM 1614 O HIS A 106 12.867 1.640 5.685 1.00 24.66 O ATOM 1615 CB HIS A 106 14.401 3.320 3.280 1.00 27.86 C ATOM 1616 CG HIS A 106 14.191 1.985 2.639 1.00 31.96 C ATOM 1617 ND1 HIS A 106 14.663 0.812 3.188 1.00 34.11 N ATOM 1618 CD2 HIS A 106 13.542 1.635 1.503 1.00 33.87 C ATOM 1619 CE1 HIS A 106 14.314 -0.204 2.418 1.00 34.92 C ATOM 1620 NE2 HIS A 106 13.633 0.268 1.389 1.00 35.06 N ATOM 1621 HA HIS A 106 12.416 3.535 4.046 1.00 0.00 H ATOM 1622 HB2 HIS A 106 14.274 4.091 2.520 1.00 0.00 H ATOM 1623 HB3 HIS A 106 15.419 3.359 3.668 1.00 0.00 H ATOM 1624 HD2 HIS A 106 13.041 2.310 0.809 1.00 0.00 H ATOM 1625 HE1 HIS A 106 14.548 -1.253 2.601 1.00 0.00 H ATOM 1626 H HIS A 106 14.492 5.496 4.658 1.00 0.00 H ATOM 1627 N ALA A 107 14.661 2.824 6.370 1.00 22.81 N ATOM 1628 CA ALA A 107 14.940 1.943 7.497 1.00 22.66 C ATOM 1629 C ALA A 107 13.784 2.017 8.489 1.00 22.27 C ATOM 1630 O ALA A 107 13.322 0.997 9.003 1.00 21.27 O ATOM 1631 CB ALA A 107 16.246 2.354 8.185 1.00 23.13 C ATOM 1632 HA ALA A 107 15.048 0.921 7.135 1.00 0.00 H ATOM 1633 HB1 ALA A 107 17.067 2.289 7.471 1.00 0.00 H ATOM 1634 HB2 ALA A 107 16.158 3.378 8.547 1.00 0.00 H ATOM 1635 HB3 ALA A 107 16.439 1.686 9.024 1.00 0.00 H ATOM 1636 H ALA A 107 15.279 3.643 6.198 1.00 0.00 H ATOM 1637 N LEU A 108 13.311 3.229 8.757 1.00 21.65 N ATOM 1638 CA LEU A 108 12.207 3.404 9.698 1.00 22.80 C ATOM 1639 C LEU A 108 10.918 2.765 9.202 1.00 22.72 C ATOM 1640 O LEU A 108 10.110 2.287 10.000 1.00 23.54 O ATOM 1641 CB LEU A 108 11.981 4.889 9.985 1.00 22.52 C ATOM 1642 CG LEU A 108 13.081 5.553 10.813 1.00 22.19 C ATOM 1643 CD1 LEU A 108 12.740 7.026 11.020 1.00 23.05 C ATOM 1644 CD2 LEU A 108 13.212 4.845 12.150 1.00 22.46 C ATOM 1645 HA LEU A 108 12.489 2.896 10.620 1.00 0.00 H ATOM 1646 HB2 LEU A 108 11.910 5.413 9.032 1.00 0.00 H ATOM 1647 HB3 LEU A 108 11.040 4.992 10.525 1.00 0.00 H ATOM 1648 HG LEU A 108 14.033 5.481 10.286 1.00 0.00 H ATOM 1649 HD21 LEU A 108 12.266 4.908 12.687 1.00 0.00 H ATOM 1650 HD22 LEU A 108 13.467 3.799 11.982 1.00 0.00 H ATOM 1651 HD23 LEU A 108 13.997 5.322 12.737 1.00 0.00 H ATOM 1652 HD11 LEU A 108 12.664 7.520 10.051 1.00 0.00 H ATOM 1653 HD12 LEU A 108 11.789 7.107 11.546 1.00 0.00 H ATOM 1654 HD13 LEU A 108 13.524 7.500 11.610 1.00 0.00 H ATOM 1655 H LEU A 108 13.730 4.060 8.293 1.00 0.00 H ATOM 1656 N GLU A 109 10.726 2.752 7.888 1.00 23.72 N ATOM 1657 CA GLU A 109 9.537 2.148 7.300 1.00 25.23 C ATOM 1658 C GLU A 109 9.549 0.646 7.573 1.00 24.89 C ATOM 1659 O GLU A 109 8.502 0.025 7.770 1.00 22.99 O ATOM 1660 CB GLU A 109 9.501 2.411 5.792 1.00 28.10 C ATOM 1661 CG GLU A 109 8.362 1.706 5.074 1.00 32.95 C ATOM 1662 CD GLU A 109 8.277 2.067 3.602 1.00 35.61 C ATOM 1663 OE1 GLU A 109 9.335 2.140 2.940 1.00 37.73 O ATOM 1664 OE2 GLU A 109 7.146 2.264 3.104 1.00 37.81 O ATOM 1665 HA GLU A 109 8.647 2.590 7.748 1.00 0.00 H ATOM 1666 HB2 GLU A 109 9.397 3.484 5.632 1.00 0.00 H ATOM 1667 HB3 GLU A 109 10.443 2.071 5.361 1.00 0.00 H ATOM 1668 HG2 GLU A 109 8.510 0.630 5.160 1.00 0.00 H ATOM 1669 HG3 GLU A 109 7.424 1.982 5.555 1.00 0.00 H ATOM 1670 H GLU A 109 11.439 3.182 7.265 1.00 0.00 H ATOM 1671 N VAL A 110 10.745 0.064 7.583 1.00 24.48 N ATOM 1672 CA VAL A 110 10.890 -1.359 7.853 1.00 25.07 C ATOM 1673 C VAL A 110 10.681 -1.636 9.339 1.00 25.89 C ATOM 1674 O VAL A 110 10.039 -2.619 9.715 1.00 26.40 O ATOM 1675 CB VAL A 110 12.288 -1.865 7.452 1.00 25.22 C ATOM 1676 CG1 VAL A 110 12.449 -3.321 7.861 1.00 24.88 C ATOM 1677 CG2 VAL A 110 12.489 -1.697 5.953 1.00 25.50 C ATOM 1678 HA VAL A 110 10.138 -1.882 7.262 1.00 0.00 H ATOM 1679 HB VAL A 110 13.047 -1.278 7.968 1.00 0.00 H ATOM 1680 HG11 VAL A 110 12.330 -3.409 8.941 1.00 0.00 H ATOM 1681 HG12 VAL A 110 11.691 -3.924 7.361 1.00 0.00 H ATOM 1682 HG13 VAL A 110 13.441 -3.670 7.573 1.00 0.00 H ATOM 1683 HG21 VAL A 110 11.731 -2.271 5.420 1.00 0.00 H ATOM 1684 HG22 VAL A 110 12.399 -0.643 5.692 1.00 0.00 H ATOM 1685 HG23 VAL A 110 13.480 -2.057 5.678 1.00 0.00 H ATOM 1686 H VAL A 110 11.593 0.636 7.394 1.00 0.00 H ATOM 1687 N LEU A 111 11.222 -0.762 10.181 1.00 25.81 N ATOM 1688 CA LEU A 111 11.108 -0.909 11.631 1.00 26.31 C ATOM 1689 C LEU A 111 9.725 -0.582 12.183 1.00 27.22 C ATOM 1690 O LEU A 111 9.217 -1.282 13.057 1.00 27.77 O ATOM 1691 CB LEU A 111 12.141 -0.022 12.325 1.00 25.80 C ATOM 1692 CG LEU A 111 13.598 -0.404 12.068 1.00 25.88 C ATOM 1693 CD1 LEU A 111 14.512 0.687 12.594 1.00 26.02 C ATOM 1694 CD2 LEU A 111 13.897 -1.749 12.734 1.00 25.24 C ATOM 1695 HA LEU A 111 11.288 -1.964 11.838 1.00 0.00 H ATOM 1696 HB2 LEU A 111 11.994 1.002 11.981 1.00 0.00 H ATOM 1697 HB3 LEU A 111 11.963 -0.072 13.399 1.00 0.00 H ATOM 1698 HG LEU A 111 13.774 -0.506 10.997 1.00 0.00 H ATOM 1699 HD21 LEU A 111 13.726 -1.668 13.807 1.00 0.00 H ATOM 1700 HD22 LEU A 111 13.241 -2.513 12.317 1.00 0.00 H ATOM 1701 HD23 LEU A 111 14.936 -2.021 12.550 1.00 0.00 H ATOM 1702 HD11 LEU A 111 14.288 1.624 12.084 1.00 0.00 H ATOM 1703 HD12 LEU A 111 14.353 0.807 13.666 1.00 0.00 H ATOM 1704 HD13 LEU A 111 15.550 0.410 12.409 1.00 0.00 H ATOM 1705 H LEU A 111 11.743 0.052 9.797 1.00 0.00 H ATOM 1706 N ASN A 112 9.121 0.485 11.674 1.00 28.07 N ATOM 1707 CA ASN A 112 7.807 0.915 12.131 1.00 29.58 C ATOM 1708 C ASN A 112 6.690 0.145 11.449 1.00 30.95 C ATOM 1709 O ASN A 112 5.833 -0.402 12.172 1.00 33.02 O ATOM 1710 CB ASN A 112 7.635 2.411 11.875 1.00 27.92 C ATOM 1711 CG ASN A 112 8.605 3.252 12.677 1.00 27.73 C ATOM 1712 OD1 ASN A 112 8.902 4.388 12.316 1.00 27.48 O ATOM 1713 ND2 ASN A 112 9.095 2.702 13.782 1.00 26.97 N ATOM 1714 HA ASN A 112 7.745 0.712 13.200 1.00 0.00 H ATOM 1715 OXT ASN A 112 6.677 0.106 10.200 1.00 33.75 O ATOM 1716 HB2 ASN A 112 7.797 2.605 10.815 1.00 0.00 H ATOM 1717 HB3 ASN A 112 6.618 2.697 12.144 1.00 0.00 H ATOM 1718 HD22 ASN A 112 8.816 1.737 14.050 1.00 0.00 H ATOM 1719 HD21 ASN A 112 9.758 3.237 14.379 1.00 0.00 H ATOM 1720 H ASN A 112 9.600 1.029 10.928 1.00 0.00 H TER 1721 ASN A 112 HETATM 1722 O HOH 1 33.149 12.653 11.582 1.00 19.85 O HETATM 1723 O HOH 2 17.192 -1.702 14.515 1.00 20.69 O HETATM 1724 O HOH 3 36.331 15.049 3.430 1.00 23.05 O HETATM 1725 O HOH 4 34.215 12.700 14.179 1.00 25.65 O HETATM 1726 O HOH 5 10.159 6.593 13.683 1.00 24.15 O HETATM 1727 O HOH 6 15.607 10.770 18.357 1.00 22.03 O HETATM 1728 O HOH 7 28.392 5.318 18.697 1.00 30.82 O HETATM 1729 O HOH 8 38.479 12.504 7.737 1.00 24.10 O HETATM 1730 O HOH 9 33.179 15.473 13.339 1.00 28.53 O HETATM 1731 O HOH 10 34.760 11.162 -0.164 1.00 34.28 O HETATM 1732 O HOH 11 11.560 10.245 12.310 1.00 28.33 O HETATM 1733 O HOH 12 24.673 14.348 24.069 1.00 29.80 O HETATM 1734 O HOH 13 26.071 3.431 26.808 1.00 39.56 O HETATM 1735 O HOH 14 20.979 5.224 -0.340 1.00 29.26 O HETATM 1736 O HOH 15 38.277 2.056 14.416 1.00 29.26 O HETATM 1737 O HOH 16 40.592 15.586 20.088 1.00 27.72 O HETATM 1738 O HOH 17 17.965 3.145 0.636 1.00 41.05 O HETATM 1739 O HOH 18 33.124 19.834 2.078 1.00 32.79 O HETATM 1740 O HOH 19 18.925 7.051 -0.155 1.00 29.87 O HETATM 1741 O HOH 20 17.804 3.996 21.188 1.00 35.40 O HETATM 1742 O HOH 21 24.990 -0.770 17.842 1.00 38.20 O HETATM 1743 O HOH 22 34.441 17.575 12.867 1.00 39.32 O HETATM 1744 O HOH 23 30.264 9.065 20.263 1.00 42.88 O HETATM 1745 O HOH 24 32.078 10.541 21.021 1.00 36.18 O HETATM 1746 O HOH 25 31.020 11.345 24.353 1.00 42.66 O HETATM 1747 O HOH 26 40.855 2.743 15.841 1.00 31.83 O HETATM 1748 O HOH 27 24.571 24.413 19.369 1.00 36.34 O HETATM 1749 C ACE A 28 14.480 17.857 21.662 1.00 0.18 C HETATM 1750 O ACE A 28 15.035 16.800 21.985 1.00 -0.40 O HETATM 1751 CH3 ACE A 28 12.957 17.987 21.712 1.00 0.03 C HETATM 1752 H1 ACE A 28 12.664 18.997 21.389 1.00 0.05 H HETATM 1753 H2 ACE A 28 12.608 17.816 22.741 1.00 0.05 H HETATM 1754 H3 ACE A 28 12.503 17.242 21.042 1.00 0.05 H HETATM 1755 N ACE A 28 15.068 18.787 20.912 1.00 -0.26 N HETATM 1756 CA ACE A 28 16.451 18.656 20.461 1.00 0.14 C HETATM 1757 C ACE A 28 17.220 19.950 20.671 1.00 0.21 C HETATM 1758 O ACE A 28 16.631 21.033 20.728 1.00 -0.39 O HETATM 1759 N ACE A 28 18.552 19.857 20.794 1.00 -0.25 N HETATM 1760 CA ACE A 28 19.347 21.068 20.988 1.00 0.13 C HETATM 1761 CB ACE A 28 20.666 20.527 21.533 1.00 -0.01 C HETATM 1762 CG ACE A 28 20.802 19.233 20.798 1.00 -0.03 C HETATM 1763 CD ACE A 28 19.398 18.654 20.900 1.00 0.04 C HETATM 1764 H18 ACE A 28 19.247 18.144 21.863 1.00 0.05 H HETATM 1765 H19 ACE A 28 19.196 17.952 20.078 1.00 0.05 H HETATM 1766 H16 ACE A 28 21.540 18.576 21.281 1.00 0.03 H HETATM 1767 H17 ACE A 28 21.090 19.399 19.749 1.00 0.03 H HETATM 1768 H14 ACE A 28 20.613 20.365 22.620 1.00 0.03 H HETATM 1769 H15 ACE A 28 21.501 21.206 21.304 1.00 0.03 H HETATM 1770 C ACE A 28 19.516 21.762 19.642 1.00 0.21 C HETATM 1771 O ACE A 28 19.316 21.152 18.587 1.00 -0.39 O HETATM 1772 N ACE A 28 19.882 23.050 19.656 1.00 -0.25 N HETATM 1773 CA ACE A 28 20.065 23.777 18.399 1.00 0.13 C HETATM 1774 CB ACE A 28 20.274 25.214 18.867 1.00 -0.01 C HETATM 1775 CG ACE A 28 20.972 25.034 20.175 1.00 -0.03 C HETATM 1776 CD ACE A 28 20.178 23.914 20.812 1.00 0.04 C HETATM 1777 H25 ACE A 28 19.255 24.292 21.275 1.00 0.05 H HETATM 1778 H26 ACE A 28 20.774 23.381 21.567 1.00 0.05 H HETATM 1779 H23 ACE A 28 20.925 25.951 20.781 1.00 0.03 H HETATM 1780 H24 ACE A 28 22.023 24.744 20.029 1.00 0.03 H HETATM 1781 H21 ACE A 28 19.313 25.732 18.998 1.00 0.03 H HETATM 1782 H22 ACE A 28 20.899 25.775 18.157 1.00 0.03 H HETATM 1783 C ACE A 28 21.258 23.240 17.609 1.00 0.21 C HETATM 1784 O ACE A 28 22.209 22.713 18.187 1.00 -0.39 O HETATM 1785 N ACE A 28 21.211 23.349 16.273 1.00 -0.25 N HETATM 1786 CA ACE A 28 22.316 22.865 15.444 1.00 0.13 C HETATM 1787 CB ACE A 28 21.740 22.939 14.030 1.00 -0.01 C HETATM 1788 CG ACE A 28 20.789 24.089 14.115 1.00 -0.03 C HETATM 1789 CD ACE A 28 20.104 23.846 15.436 1.00 0.04 C HETATM 1790 H32 ACE A 28 19.308 23.093 15.340 1.00 0.05 H HETATM 1791 H33 ACE A 28 19.682 24.776 15.844 1.00 0.05 H HETATM 1792 H30 ACE A 28 20.068 24.072 13.284 1.00 0.03 H HETATM 1793 H31 ACE A 28 21.325 25.049 14.116 1.00 0.03 H HETATM 1794 H28 ACE A 28 21.214 22.009 13.768 1.00 0.03 H HETATM 1795 H29 ACE A 28 22.531 23.134 13.290 1.00 0.03 H HETATM 1796 C ACE A 28 23.560 23.737 15.631 1.00 0.21 C HETATM 1797 O ACE A 28 23.489 24.810 16.232 1.00 -0.39 O HETATM 1798 N ACE A 28 24.717 23.280 15.131 1.00 -0.26 N HETATM 1799 CA ACE A 28 25.989 24.005 15.237 1.00 0.10 C HETATM 1800 CB ACE A 28 26.946 23.139 14.424 1.00 -0.02 C HETATM 1801 CG ACE A 28 26.404 21.770 14.630 1.00 -0.03 C HETATM 1802 CD ACE A 28 24.920 21.982 14.465 1.00 0.04 C HETATM 1803 H39 ACE A 28 24.346 21.185 14.960 1.00 0.05 H HETATM 1804 H40 ACE A 28 24.639 22.030 13.402 1.00 0.05 H HETATM 1805 H37 ACE A 28 26.643 21.394 15.636 1.00 0.03 H HETATM 1806 H38 ACE A 28 26.793 21.070 13.875 1.00 0.03 H HETATM 1807 H35 ACE A 28 27.975 23.220 14.805 1.00 0.03 H HETATM 1808 H36 ACE A 28 26.926 23.417 13.360 1.00 0.03 H HETATM 1809 C ACE A 28 25.911 25.435 14.705 1.00 0.06 C HETATM 1810 O ACE A 28 26.325 26.356 15.441 1.00 -0.57 O HETATM 1811 O1 ACE A 28 25.444 25.678 13.560 1.00 -0.57 O HETATM 1812 H34 ACE A 28 26.313 24.046 16.288 1.00 0.07 H HETATM 1813 H27 ACE A 28 22.570 21.826 15.700 1.00 0.08 H HETATM 1814 H20 ACE A 28 19.164 23.703 17.773 1.00 0.08 H HETATM 1815 H13 ACE A 28 18.876 21.755 21.706 1.00 0.08 H HETATM 1816 CB ACE A 28 16.519 18.318 18.967 1.00 0.02 C HETATM 1817 CG ACE A 28 15.898 17.006 18.606 1.00 -0.04 C HETATM 1818 CD2 ACE A 28 16.685 15.867 18.473 1.00 -0.06 C HETATM 1819 CE2 ACE A 28 16.114 14.646 18.132 1.00 -0.07 C HETATM 1820 CZ ACE A 28 14.748 14.558 17.920 1.00 -0.07 C HETATM 1821 CE1 ACE A 28 13.953 15.691 18.052 1.00 -0.07 C HETATM 1822 CD1 ACE A 28 14.530 16.906 18.394 1.00 -0.06 C HETATM 1823 H8 ACE A 28 13.906 17.786 18.497 1.00 0.06 H HETATM 1824 H10 ACE A 28 12.883 15.625 17.888 1.00 0.06 H HETATM 1825 H12 ACE A 28 14.300 13.608 17.652 1.00 0.06 H HETATM 1826 H11 ACE A 28 16.737 13.764 18.032 1.00 0.06 H HETATM 1827 H9 ACE A 28 17.755 15.932 18.637 1.00 0.06 H HETATM 1828 H6 ACE A 28 17.577 18.293 18.667 1.00 0.05 H HETATM 1829 H7 ACE A 28 15.998 19.111 18.410 1.00 0.05 H HETATM 1830 H5 ACE A 28 16.931 17.851 21.037 1.00 0.08 H HETATM 1831 H4 ACE A 28 14.547 19.599 20.650 1.00 0.19 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1749 1750 1751 1755 CONECT 1750 1749 CONECT 1751 1749 1752 1753 1754 CONECT 1752 1751 CONECT 1753 1751 CONECT 1754 1751 CONECT 1755 1749 1756 1831 CONECT 1756 1755 1757 1816 1830 CONECT 1757 1756 1758 1759 CONECT 1758 1757 CONECT 1759 1757 1760 1763 CONECT 1760 1759 1761 1770 1815 CONECT 1761 1760 1762 1768 1769 CONECT 1762 1761 1763 1766 1767 CONECT 1763 1759 1762 1764 1765 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1762 CONECT 1767 1762 CONECT 1768 1761 CONECT 1769 1761 CONECT 1770 1760 1771 1772 CONECT 1771 1770 CONECT 1772 1770 1773 1776 CONECT 1773 1772 1774 1783 1814 CONECT 1774 1773 1775 1781 1782 CONECT 1775 1774 1776 1779 1780 CONECT 1776 1772 1775 1777 1778 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1775 CONECT 1780 1775 CONECT 1781 1774 CONECT 1782 1774 CONECT 1783 1773 1784 1785 CONECT 1784 1783 CONECT 1785 1783 1786 1789 CONECT 1786 1785 1787 1796 1813 CONECT 1787 1786 1788 1794 1795 CONECT 1788 1787 1789 1792 1793 CONECT 1789 1785 1788 1790 1791 CONECT 1790 1789 CONECT 1791 1789 CONECT 1792 1788 CONECT 1793 1788 CONECT 1794 1787 CONECT 1795 1787 CONECT 1796 1786 1797 1798 CONECT 1797 1796 CONECT 1798 1796 1799 1802 CONECT 1799 1798 1800 1809 1812 CONECT 1800 1799 1801 1807 1808 CONECT 1801 1800 1802 1805 1806 CONECT 1802 1798 1801 1803 1804 CONECT 1803 1802 CONECT 1804 1802 CONECT 1805 1801 CONECT 1806 1801 CONECT 1807 1800 CONECT 1808 1800 CONECT 1809 1799 1810 1811 CONECT 1810 1809 CONECT 1811 1809 CONECT 1812 1799 CONECT 1813 1786 CONECT 1814 1773 CONECT 1815 1760 CONECT 1816 1756 1817 1828 1829 CONECT 1817 1816 1818 1822 CONECT 1818 1817 1819 1827 CONECT 1819 1818 1820 1826 CONECT 1820 1819 1821 1825 CONECT 1821 1820 1822 1824 CONECT 1822 1817 1821 1823 CONECT 1823 1822 CONECT 1824 1821 CONECT 1825 1820 CONECT 1826 1819 CONECT 1827 1818 CONECT 1828 1816 CONECT 1829 1816 CONECT 1830 1756 CONECT 1831 1755 MASTER 0 0 0 0 0 0 0 0 1830 1 87 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1evh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4my6
RCSB PDB
PDBbind
113aa, >4MY6_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bm2
RCSB PDB
PDBbind
7-mer
1bzh
RCSB PDB
PDBbind
7-mer
1ekb
RCSB PDB
PDBbind
7-mer
1f8a
RCSB PDB
PDBbind
7-mer
1fhr
RCSB PDB
PDBbind
7-mer
1fkn
RCSB PDB
PDBbind
7-mer
1j4k
RCSB PDB
PDBbind
7-mer
1joj
RCSB PDB
PDBbind
7-mer
1m4h
RCSB PDB
PDBbind
7-mer
1n7t
RCSB PDB
PDBbind
7-mer
1nlt
RCSB PDB
PDBbind
7-mer
1oh4
RCSB PDB
PDBbind
7-mer
1okw
RCSB PDB
PDBbind
7-mer
1pip
RCSB PDB
PDBbind
7-mer
1py1
RCSB PDB
PDBbind
7-mer
1q5l
RCSB PDB
PDBbind
7-mer
1qsc
RCSB PDB
PDBbind
7-mer
1rzx
RCSB PDB
PDBbind
7-mer
1slg
RCSB PDB
PDBbind
7-mer
1sts
RCSB PDB
PDBbind
7-mer
1tze
RCSB PDB
PDBbind
7-mer
1umw
RCSB PDB
PDBbind
7-mer
1vwn
RCSB PDB
PDBbind
7-mer
2er6
RCSB PDB
PDBbind
7-mer
2joa
RCSB PDB
PDBbind
7-mer
2l7u
RCSB PDB
PDBbind
7-mer
2mip
RCSB PDB
PDBbind
7-mer
2nmb
RCSB PDB
PDBbind
7-mer
2pem
RCSB PDB
PDBbind
7-mer
2pv1
RCSB PDB
PDBbind
7-mer
2q3z
RCSB PDB
PDBbind
7-mer
2w6u
RCSB PDB
PDBbind
7-mer
2w78
RCSB PDB
PDBbind
7-mer
2xqq
RCSB PDB
PDBbind
7-mer
2zlf
RCSB PDB
PDBbind
7-mer
3dda
RCSB PDB
PDBbind
7-mer
3ddb
RCSB PDB
PDBbind
7-mer
3fvh
RCSB PDB
PDBbind
7-mer
3ifl
RCSB PDB
PDBbind
7-mer
3ifo
RCSB PDB
PDBbind
7-mer
3ifp
RCSB PDB
PDBbind
7-mer
3l81
RCSB PDB
PDBbind
7-mer
3nzi
RCSB PDB
PDBbind
7-mer
3ole
RCSB PDB
PDBbind
7-mer
3olg
RCSB PDB
PDBbind
7-mer
3oli
RCSB PDB
PDBbind
7-mer
3rq7
RCSB PDB
PDBbind
7-mer
3rul
RCSB PDB
PDBbind
7-mer
3rum
RCSB PDB
PDBbind
7-mer
3run
RCSB PDB
PDBbind
7-mer
3stj
RCSB PDB
PDBbind
7-mer
3t6r
RCSB PDB
PDBbind
7-mer
3upv
RCSB PDB
PDBbind
7-mer
3uqr
RCSB PDB
PDBbind
7-mer
3vb6
RCSB PDB
PDBbind
7-mer
3vfj
RCSB PDB
PDBbind
7-mer
3wdc
RCSB PDB
PDBbind
7-mer
3wdd
RCSB PDB
PDBbind
7-mer
3wde
RCSB PDB
PDBbind
7-mer
4aif
RCSB PDB
PDBbind
7-mer
4dfw
RCSB PDB
PDBbind
7-mer
4dvf
RCSB PDB
PDBbind
7-mer
4eqf
RCSB PDB
PDBbind
7-mer
4ezw
RCSB PDB
PDBbind
7-mer
4ezx
RCSB PDB
PDBbind
7-mer
4ezy
RCSB PDB
PDBbind
7-mer
4ezz
RCSB PDB
PDBbind
7-mer
4fbx
RCSB PDB
PDBbind
7-mer
4fgx
RCSB PDB
PDBbind
7-mer
4gne
RCSB PDB
PDBbind
7-mer
4gpl
RCSB PDB
PDBbind
7-mer
4igk
RCSB PDB
PDBbind
7-mer
4j73
RCSB PDB
PDBbind
7-mer
4lp9
RCSB PDB
PDBbind
7-mer
4mn3
RCSB PDB
PDBbind
7-mer
4o6w
RCSB PDB
PDBbind
7-mer
4onf
RCSB PDB
PDBbind
7-mer
4tky
RCSB PDB
PDBbind
7-mer
4u0g
RCSB PDB
PDBbind
7-mer
6iso
RCSB PDB
PDBbind
7-mer
4x3i
RCSB PDB
PDBbind
7-mer
4x3k
RCSB PDB
PDBbind
7-mer
4y32
RCSB PDB
PDBbind
7-mer
4y3b
RCSB PDB
PDBbind
7-mer
5cs2
RCSB PDB
PDBbind
7-mer
5hjd
RCSB PDB
PDBbind
7-mer
5j5x
RCSB PDB
PDBbind
7-mer
5lyn
RCSB PDB
PDBbind
7-mer
5m63
RCSB PDB
PDBbind
7-mer
5n7g
RCSB PDB
PDBbind
7-mer
5ovc
RCSB PDB
PDBbind
7-mer
5ovp
RCSB PDB
PDBbind
7-mer
5ovv
RCSB PDB
PDBbind
7-mer
5oyd
RCSB PDB
PDBbind
7-mer
5w38
RCSB PDB
PDBbind
7-mer
5wxg
RCSB PDB
PDBbind
7-mer
5wxh
RCSB PDB
PDBbind
7-mer
5xo2
RCSB PDB
PDBbind
7-mer
5xof
RCSB PDB
PDBbind
7-mer
5y20
RCSB PDB
PDBbind
7-mer
5yyf
RCSB PDB
PDBbind
7-mer
6b67
RCSB PDB
PDBbind
7-mer
6cen
RCSB PDB
PDBbind
7-mer
6do3
RCSB PDB
PDBbind
7-mer
6exj
RCSB PDB
PDBbind
7-mer
6mnf
RCSB PDB
PDBbind
7-mer
7kme
RCSB PDB
PDBbind
7-mer
8hvp
RCSB PDB
PDBbind
7-mer
6pka
RCSB PDB
PDBbind
7-mer
6p3w
RCSB PDB
PDBbind
7-mer
6oxl
RCSB PDB
PDBbind
7-mer
6om4
RCSB PDB
PDBbind
7-mer
6n3e
RCSB PDB
PDBbind
7-mer
6mqm
RCSB PDB
PDBbind
7-mer
6hld
RCSB PDB
PDBbind
7-mer
6gf3
RCSB PDB
PDBbind
7-mer
6frj
RCSB PDB
PDBbind
7-mer
6cn8
RCSB PDB
PDBbind
7-mer
5n7b
RCSB PDB
PDBbind
7-mer
6dn5
RCSB PDB
PDBbind
7-mer
Entry Information
PDB ID
1evh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
mena evh1 domain
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=602uM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
Cell v97 pp. 471-80, 1999
Ligand Properties
Formula
C
3
1
H
4
1
N
5
O
7
Molecular Weight
595.687
Exact Mass
595.301
No. of atoms
84
No. of bonds
88
Polar Surface Area
147.64
LOGP Value
2.21 (
Computed with XLOGP3
)
0.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 5
Canonical SMILES
CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1
InChI String
InChI=1S/C31H41N5O7/c1-20(37)32-22(19-21-9-3-2-4-10-21)27(38)33-15-5-11-23(33)28(39)34-16-6-12-24(34)29(40)35-17-7-13-25(35)30(41)36-18-8-14-26(36)31(42)43/h2-4,9-10,22-26H,5-8,11-19H2,1H3,(H,32,37)(H,42,43)/t22-,23-,24-,25-,26-/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):
Q03173
Entrez Gene ID
NCBI Entrez Gene ID:
13800
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com