Browse entries in the PDBbind-CN Database
HEADER 4MRD_COMPLEX COMPND 4MRD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 149 GLN ILE ASP LEU ASN VAL THR CYS ARG TYR ALA GLY VAL SEQRES 2 A 149 PHE HIS VAL GLU LYS ASN GLY ARG TYR SER ILE SER ARG SEQRES 3 A 149 THR GLU ALA ALA ASP LEU CYS GLN ALA PHE ASN SER THR SEQRES 4 A 149 LEU PRO THR MET ASP GLN MET LYS LEU ALA LEU SER LYS SEQRES 5 A 149 GLY PHE GLU THR CYS ARG TYR GLY PHE ILE GLU GLY ASN SEQRES 6 A 149 VAL VAL ILE PRO ARG ILE HIS PRO ASN ALA ILE CYS ALA SEQRES 7 A 149 ALA ASN HIS THR GLY VAL TYR ILE LEU VAL THR SER ASN SEQRES 8 A 149 THR SER HIS TYR ASP THR TYR CYS PHE ASN ALA SER ALA SEQRES 9 A 149 PRO PRO GLU GLU ASP CYS THR SER VAL THR ASP LEU PRO SEQRES 10 A 149 ASN SER PHE ASP GLY PRO VAL THR ILE THR ILE VAL ASN SEQRES 11 A 149 ARG ASP GLY THR ARG TYR SER LYS LYS GLY GLU TYR ARG SEQRES 12 A 149 THR HIS GLN GLU ASP ILE HET BDP A 160 94 SSBOND 1 CYS A 81 CYS A 101 SSBOND 2 CYS A 57 CYS A 123 SSBOND 3 CYS A 32 CYS A 134 ATOM 1 N GLN A 25 15.890 11.780 3.771 1.00 19.96 N ATOM 2 CA GLN A 25 15.683 10.838 2.627 1.00 20.21 C ATOM 3 C GLN A 25 14.738 9.697 3.022 1.00 19.61 C ATOM 4 O GLN A 25 14.940 9.046 4.049 1.00 19.71 O ATOM 5 CB GLN A 25 17.019 10.272 2.160 1.00 20.61 C ATOM 6 CG GLN A 25 17.025 9.721 0.736 1.00 23.68 C ATOM 7 CD GLN A 25 17.862 10.565 -0.242 1.00 28.01 C ATOM 8 OE1 GLN A 25 18.455 11.597 0.131 1.00 29.37 O ATOM 9 NE2 GLN A 25 17.922 10.115 -1.509 1.00 28.85 N ATOM 10 HE22 GLN A 25 17.412 9.249 -1.778 1.00 0.00 H ATOM 11 HE21 GLN A 25 18.478 10.633 -2.219 1.00 0.00 H ATOM 12 HN3 GLN A 25 16.305 11.264 4.573 1.00 0.00 H ATOM 13 HN2 GLN A 25 14.975 12.186 4.054 1.00 0.00 H ATOM 14 HN1 GLN A 25 16.533 12.543 3.478 1.00 0.00 H ATOM 15 N ILE A 26 13.702 9.457 2.213 1.00 18.98 N ATOM 16 CA ILE A 26 12.725 8.383 2.508 1.00 17.83 C ATOM 17 C ILE A 26 12.537 7.429 1.327 1.00 17.71 C ATOM 18 O ILE A 26 12.061 7.821 0.242 1.00 17.82 O ATOM 19 CB ILE A 26 11.356 8.932 3.012 1.00 17.44 C ATOM 20 CG1 ILE A 26 11.521 9.624 4.370 1.00 17.08 C ATOM 21 CG2 ILE A 26 10.337 7.815 3.151 1.00 17.41 C ATOM 22 CD1 ILE A 26 10.297 10.406 4.818 1.00 16.47 C ATOM 23 H ILE A 26 13.579 10.036 1.358 1.00 0.00 H ATOM 24 N ASP A 27 12.924 6.176 1.561 1.00 17.10 N ATOM 25 CA ASP A 27 12.744 5.088 0.610 1.00 16.55 C ATOM 26 C ASP A 27 11.442 4.330 0.908 1.00 15.47 C ATOM 27 O ASP A 27 11.261 3.826 2.021 1.00 15.35 O ATOM 28 CB ASP A 27 13.948 4.137 0.674 1.00 17.13 C ATOM 29 CG ASP A 27 15.194 4.708 -0.005 1.00 19.10 C ATOM 30 OD1 ASP A 27 15.606 5.860 0.309 1.00 21.69 O ATOM 31 OD2 ASP A 27 15.763 3.995 -0.857 1.00 19.82 O ATOM 32 H ASP A 27 13.379 5.963 2.472 1.00 0.00 H ATOM 33 N LEU A 28 10.542 4.276 -0.083 1.00 14.23 N ATOM 34 CA LEU A 28 9.245 3.570 0.018 1.00 12.85 C ATOM 35 C LEU A 28 9.211 2.386 -0.931 1.00 12.22 C ATOM 36 O LEU A 28 9.034 2.558 -2.133 1.00 11.96 O ATOM 37 CB LEU A 28 8.060 4.500 -0.297 1.00 12.48 C ATOM 38 CG LEU A 28 7.899 5.852 0.420 1.00 11.50 C ATOM 39 CD1 LEU A 28 6.888 6.724 -0.307 1.00 9.92 C ATOM 40 CD2 LEU A 28 7.479 5.671 1.853 1.00 11.18 C ATOM 41 H LEU A 28 10.768 4.759 -0.976 1.00 0.00 H ATOM 42 N ASN A 29 9.393 1.187 -0.387 1.00 11.93 N ATOM 43 CA ASN A 29 9.387 -0.036 -1.189 1.00 11.51 C ATOM 44 C ASN A 29 7.984 -0.569 -1.387 1.00 11.21 C ATOM 45 O ASN A 29 7.229 -0.755 -0.418 1.00 10.68 O ATOM 46 CB ASN A 29 10.283 -1.103 -0.576 1.00 11.84 C ATOM 47 CG ASN A 29 11.744 -0.691 -0.544 1.00 13.26 C ATOM 48 OD1 ASN A 29 12.553 -1.205 -1.307 1.00 14.45 O ATOM 49 ND2 ASN A 29 12.084 0.247 0.334 1.00 15.37 N ATOM 50 HD22 ASN A 29 11.364 0.656 0.963 1.00 0.00 H ATOM 51 HD21 ASN A 29 13.070 0.572 0.392 1.00 0.00 H ATOM 52 H ASN A 29 9.544 1.116 0.640 1.00 0.00 H ATOM 53 N VAL A 30 7.640 -0.800 -2.653 1.00 10.65 N ATOM 54 CA VAL A 30 6.286 -1.187 -3.010 1.00 10.36 C ATOM 55 C VAL A 30 6.260 -2.539 -3.686 1.00 10.23 C ATOM 56 O VAL A 30 7.198 -2.905 -4.388 1.00 10.19 O ATOM 57 CB VAL A 30 5.567 -0.124 -3.905 1.00 10.59 C ATOM 58 CG1 VAL A 30 5.617 1.252 -3.237 1.00 9.77 C ATOM 59 CG2 VAL A 30 6.156 -0.079 -5.320 1.00 9.52 C ATOM 60 H VAL A 30 8.355 -0.701 -3.401 1.00 0.00 H ATOM 61 N THR A 31 5.177 -3.274 -3.459 1.00 9.92 N ATOM 62 CA THR A 31 4.960 -4.527 -4.136 1.00 9.75 C ATOM 63 C THR A 31 4.087 -4.277 -5.337 1.00 9.66 C ATOM 64 O THR A 31 3.707 -3.141 -5.633 1.00 9.39 O ATOM 65 CB THR A 31 4.233 -5.547 -3.246 1.00 9.93 C ATOM 66 OG1 THR A 31 2.853 -5.161 -3.088 1.00 10.77 O ATOM 67 CG2 THR A 31 4.930 -5.681 -1.889 1.00 9.06 C ATOM 68 HG1 THR A 31 2.416 -5.131 -3.976 1.00 0.00 H ATOM 69 H THR A 31 4.469 -2.937 -2.776 1.00 0.00 H ATOM 70 N CYS A 32 3.787 -5.367 -6.033 1.00 9.76 N ATOM 71 CA CYS A 32 2.819 -5.378 -7.098 1.00 9.56 C ATOM 72 C CYS A 32 1.467 -5.127 -6.473 1.00 9.07 C ATOM 73 O CYS A 32 1.258 -5.422 -5.293 1.00 9.01 O ATOM 74 CB CYS A 32 2.830 -6.746 -7.745 1.00 9.66 C ATOM 75 SG CYS A 32 4.430 -7.173 -8.449 1.00 12.44 S ATOM 76 H CYS A 32 4.275 -6.255 -5.798 1.00 0.00 H ATOM 77 N ARG A 33 0.558 -4.557 -7.253 1.00 8.34 N ATOM 78 CA ARG A 33 -0.796 -4.362 -6.797 1.00 7.44 C ATOM 79 C ARG A 33 -1.604 -5.607 -7.112 1.00 7.39 C ATOM 80 O ARG A 33 -1.406 -6.245 -8.156 1.00 7.57 O ATOM 81 CB ARG A 33 -1.401 -3.131 -7.462 1.00 7.43 C ATOM 82 CG ARG A 33 -1.236 -1.807 -6.672 1.00 6.90 C ATOM 83 CD ARG A 33 0.114 -1.107 -6.864 1.00 6.93 C ATOM 84 NE ARG A 33 0.554 -1.105 -8.262 1.00 7.75 N ATOM 85 CZ ARG A 33 1.774 -1.433 -8.676 1.00 7.89 C ATOM 86 NH1 ARG A 33 2.721 -1.760 -7.807 1.00 9.38 N ATOM 87 NH2 ARG A 33 2.051 -1.418 -9.967 1.00 8.11 N ATOM 88 HE ARG A 33 -0.140 -0.826 -8.984 1.00 0.00 H ATOM 89 HH12 ARG A 33 3.671 -2.015 -8.145 1.00 0.00 H ATOM 90 HH11 ARG A 33 2.513 -1.762 -6.788 1.00 0.00 H ATOM 91 HH22 ARG A 33 3.003 -1.674 -10.297 1.00 0.00 H ATOM 92 HH21 ARG A 33 1.317 -1.151 -10.653 1.00 0.00 H ATOM 93 H ARG A 33 0.826 -4.246 -8.208 1.00 0.00 H ATOM 94 N TYR A 34 -2.484 -5.979 -6.194 1.00 7.00 N ATOM 95 CA TYR A 34 -3.408 -7.102 -6.405 1.00 7.22 C ATOM 96 C TYR A 34 -4.799 -6.601 -6.098 1.00 7.06 C ATOM 97 O TYR A 34 -5.081 -6.186 -4.971 1.00 7.00 O ATOM 98 CB TYR A 34 -3.079 -8.297 -5.498 1.00 7.29 C ATOM 99 CG TYR A 34 -1.724 -8.914 -5.776 1.00 7.98 C ATOM 100 CD1 TYR A 34 -1.615 -10.077 -6.542 1.00 7.55 C ATOM 101 CD2 TYR A 34 -0.555 -8.325 -5.278 1.00 7.33 C ATOM 102 CE1 TYR A 34 -0.381 -10.647 -6.799 1.00 9.86 C ATOM 103 CE2 TYR A 34 0.683 -8.872 -5.531 1.00 9.44 C ATOM 104 CZ TYR A 34 0.766 -10.034 -6.293 1.00 11.45 C ATOM 105 OH TYR A 34 1.989 -10.580 -6.546 1.00 11.36 O ATOM 106 HH TYR A 34 1.878 -11.396 -7.096 1.00 0.00 H ATOM 107 H TYR A 34 -2.522 -5.459 -5.294 1.00 0.00 H ATOM 108 N ALA A 35 -5.670 -6.628 -7.103 1.00 6.98 N ATOM 109 CA ALA A 35 -6.985 -6.018 -6.977 1.00 6.43 C ATOM 110 C ALA A 35 -6.848 -4.601 -6.385 1.00 6.10 C ATOM 111 O ALA A 35 -7.706 -4.137 -5.619 1.00 6.49 O ATOM 112 CB ALA A 35 -7.897 -6.898 -6.134 1.00 5.77 C ATOM 113 H ALA A 35 -5.406 -7.093 -7.995 1.00 0.00 H ATOM 114 N GLY A 36 -5.764 -3.921 -6.742 1.00 5.38 N ATOM 115 CA GLY A 36 -5.545 -2.565 -6.280 1.00 5.08 C ATOM 116 C GLY A 36 -4.849 -2.442 -4.945 1.00 5.13 C ATOM 117 O GLY A 36 -4.550 -1.329 -4.519 1.00 6.15 O ATOM 118 H GLY A 36 -5.061 -4.369 -7.363 1.00 0.00 H ATOM 119 N VAL A 37 -4.582 -3.567 -4.277 1.00 4.91 N ATOM 120 CA VAL A 37 -3.980 -3.559 -2.933 1.00 4.34 C ATOM 121 C VAL A 37 -2.460 -3.796 -2.997 1.00 4.61 C ATOM 122 O VAL A 37 -2.021 -4.720 -3.670 1.00 4.68 O ATOM 123 CB VAL A 37 -4.669 -4.592 -1.976 1.00 4.46 C ATOM 124 CG1 VAL A 37 -3.946 -4.662 -0.636 1.00 2.75 C ATOM 125 CG2 VAL A 37 -6.182 -4.274 -1.774 1.00 2.81 C ATOM 126 H VAL A 37 -4.807 -4.480 -4.721 1.00 0.00 H ATOM 127 N PHE A 38 -1.665 -2.961 -2.321 1.00 4.53 N ATOM 128 CA PHE A 38 -0.204 -3.155 -2.276 1.00 4.72 C ATOM 129 C PHE A 38 0.412 -2.933 -0.900 1.00 4.85 C ATOM 130 O PHE A 38 -0.228 -2.348 -0.014 1.00 5.04 O ATOM 131 CB PHE A 38 0.539 -2.330 -3.346 1.00 4.82 C ATOM 132 CG PHE A 38 0.322 -0.828 -3.267 1.00 5.88 C ATOM 133 CD1 PHE A 38 1.379 0.020 -2.982 1.00 6.05 C ATOM 134 CD2 PHE A 38 -0.931 -0.253 -3.531 1.00 7.82 C ATOM 135 CE1 PHE A 38 1.197 1.433 -2.941 1.00 6.22 C ATOM 136 CE2 PHE A 38 -1.113 1.145 -3.467 1.00 7.94 C ATOM 137 CZ PHE A 38 -0.037 1.982 -3.181 1.00 6.33 C ATOM 138 H PHE A 38 -2.086 -2.156 -1.815 1.00 0.00 H ATOM 139 N HIS A 39 1.644 -3.412 -0.732 1.00 4.63 N ATOM 140 CA HIS A 39 2.399 -3.272 0.516 1.00 4.98 C ATOM 141 C HIS A 39 3.428 -2.150 0.343 1.00 5.84 C ATOM 142 O HIS A 39 4.085 -2.037 -0.692 1.00 5.69 O ATOM 143 CB HIS A 39 3.068 -4.619 0.867 1.00 4.62 C ATOM 144 CG HIS A 39 4.071 -4.568 1.991 1.00 3.41 C ATOM 145 ND1 HIS A 39 5.434 -4.586 1.775 1.00 2.75 N ATOM 146 CD2 HIS A 39 3.912 -4.574 3.337 1.00 2.14 C ATOM 147 CE1 HIS A 39 6.069 -4.567 2.935 1.00 2.00 C ATOM 148 NE2 HIS A 39 5.168 -4.546 3.898 1.00 2.00 N ATOM 149 H HIS A 39 2.092 -3.911 -1.527 1.00 0.00 H ATOM 150 N VAL A 40 3.548 -1.310 1.357 1.00 7.12 N ATOM 151 CA VAL A 40 4.560 -0.283 1.381 1.00 8.40 C ATOM 152 C VAL A 40 5.446 -0.511 2.607 1.00 10.05 C ATOM 153 O VAL A 40 4.947 -0.595 3.734 1.00 10.63 O ATOM 154 CB VAL A 40 3.933 1.104 1.453 1.00 7.93 C ATOM 155 CG1 VAL A 40 4.992 2.153 1.223 1.00 8.31 C ATOM 156 CG2 VAL A 40 2.825 1.247 0.439 1.00 7.13 C ATOM 157 H VAL A 40 2.893 -1.392 2.161 1.00 0.00 H ATOM 158 N GLU A 41 6.752 -0.647 2.388 1.00 12.07 N ATOM 159 CA GLU A 41 7.737 -0.618 3.484 1.00 13.42 C ATOM 160 C GLU A 41 8.467 0.711 3.459 1.00 13.69 C ATOM 161 O GLU A 41 9.056 1.071 2.443 1.00 13.51 O ATOM 162 CB GLU A 41 8.761 -1.740 3.340 1.00 13.61 C ATOM 163 CG GLU A 41 9.795 -1.732 4.462 1.00 17.13 C ATOM 164 CD GLU A 41 11.183 -2.183 4.007 1.00 22.33 C ATOM 165 OE1 GLU A 41 11.721 -1.625 3.000 1.00 22.97 O ATOM 166 OE2 GLU A 41 11.737 -3.091 4.677 1.00 23.56 O ATOM 167 H GLU A 41 7.088 -0.778 1.412 1.00 0.00 H ATOM 168 N LYS A 42 8.447 1.427 4.572 1.00 15.14 N ATOM 169 CA LYS A 42 9.146 2.709 4.661 1.00 17.05 C ATOM 170 C LYS A 42 10.487 2.530 5.373 1.00 18.53 C ATOM 171 O LYS A 42 10.523 2.216 6.570 1.00 18.97 O ATOM 172 CB LYS A 42 8.275 3.750 5.370 1.00 17.21 C ATOM 173 CG LYS A 42 8.842 5.145 5.403 1.00 17.11 C ATOM 174 CD LYS A 42 8.538 5.775 6.736 1.00 17.66 C ATOM 175 CE LYS A 42 9.441 6.963 7.016 1.00 17.60 C ATOM 176 NZ LYS A 42 9.116 7.476 8.370 1.00 18.27 N ATOM 177 HZ1 LYS A 42 8.118 7.768 8.399 1.00 0.00 H ATOM 178 HZ2 LYS A 42 9.280 6.726 9.072 1.00 0.00 H ATOM 179 HZ3 LYS A 42 9.723 8.292 8.585 1.00 0.00 H ATOM 180 H LYS A 42 7.925 1.072 5.398 1.00 0.00 H ATOM 181 N ASN A 43 11.583 2.714 4.626 1.00 19.89 N ATOM 182 CA ASN A 43 12.950 2.491 5.132 1.00 21.14 C ATOM 183 C ASN A 43 13.077 1.180 5.882 1.00 21.98 C ATOM 184 O ASN A 43 12.893 0.093 5.329 1.00 22.65 O ATOM 185 CB ASN A 43 13.384 3.626 6.076 1.00 21.21 C ATOM 186 CG ASN A 43 13.511 4.950 5.380 1.00 20.80 C ATOM 187 OD1 ASN A 43 13.869 5.013 4.199 1.00 20.01 O ATOM 188 ND2 ASN A 43 13.230 6.023 6.109 1.00 19.15 N ATOM 189 HD22 ASN A 43 12.933 5.915 7.100 1.00 0.00 H ATOM 190 HD21 ASN A 43 13.307 6.971 5.689 1.00 0.00 H ATOM 191 H ASN A 43 11.464 3.029 3.642 1.00 0.00 H ATOM 192 N GLY A 44 13.380 1.310 7.168 1.00 22.69 N ATOM 193 CA GLY A 44 13.449 0.178 8.071 1.00 22.88 C ATOM 194 C GLY A 44 12.094 -0.486 8.178 1.00 22.74 C ATOM 195 O GLY A 44 11.050 0.173 8.186 1.00 22.91 O ATOM 196 H GLY A 44 13.575 2.261 7.542 1.00 0.00 H ATOM 197 N ARG A 45 12.127 -1.804 8.253 1.00 22.37 N ATOM 198 CA ARG A 45 10.937 -2.608 8.346 1.00 22.56 C ATOM 199 C ARG A 45 10.226 -2.258 9.644 1.00 21.71 C ATOM 200 O ARG A 45 10.857 -2.176 10.694 1.00 22.35 O ATOM 201 CB ARG A 45 11.356 -4.089 8.225 1.00 23.20 C ATOM 202 CG ARG A 45 10.609 -5.125 9.037 1.00 25.63 C ATOM 203 CD ARG A 45 11.227 -6.521 8.830 1.00 28.63 C ATOM 204 NE ARG A 45 10.603 -7.496 9.723 1.00 31.08 N ATOM 205 CZ ARG A 45 11.135 -7.905 10.873 1.00 33.38 C ATOM 206 NH1 ARG A 45 10.478 -8.783 11.636 1.00 34.11 N ATOM 207 NH2 ARG A 45 12.327 -7.446 11.259 1.00 32.66 N ATOM 208 HE ARG A 45 9.685 -7.896 9.442 1.00 0.00 H ATOM 209 HH12 ARG A 45 10.892 -9.103 12.535 1.00 0.00 H ATOM 210 HH11 ARG A 45 9.552 -9.146 11.331 1.00 0.00 H ATOM 211 HH22 ARG A 45 12.741 -7.766 12.157 1.00 0.00 H ATOM 212 HH21 ARG A 45 12.842 -6.768 10.661 1.00 0.00 H ATOM 213 H ARG A 45 13.051 -2.281 8.245 1.00 0.00 H ATOM 214 N TYR A 46 8.924 -2.006 9.557 1.00 20.68 N ATOM 215 CA TYR A 46 8.089 -1.689 10.729 1.00 19.63 C ATOM 216 C TYR A 46 8.473 -0.348 11.381 1.00 19.11 C ATOM 217 O TYR A 46 8.846 -0.294 12.559 1.00 19.39 O ATOM 218 CB TYR A 46 8.085 -2.820 11.792 1.00 19.04 C ATOM 219 CG TYR A 46 7.668 -4.213 11.324 1.00 18.24 C ATOM 220 CD1 TYR A 46 6.782 -4.394 10.263 1.00 17.34 C ATOM 221 CD2 TYR A 46 8.129 -5.354 11.987 1.00 17.79 C ATOM 222 CE1 TYR A 46 6.406 -5.673 9.847 1.00 16.87 C ATOM 223 CE2 TYR A 46 7.754 -6.633 11.581 1.00 16.97 C ATOM 224 CZ TYR A 46 6.895 -6.782 10.510 1.00 17.99 C ATOM 225 OH TYR A 46 6.519 -8.042 10.095 1.00 19.51 O ATOM 226 HH TYR A 46 6.059 -8.509 10.837 1.00 0.00 H ATOM 227 H TYR A 46 8.474 -2.034 8.620 1.00 0.00 H ATOM 228 N SER A 47 8.369 0.738 10.628 1.00 17.72 N ATOM 229 CA SER A 47 8.648 2.030 11.215 1.00 16.63 C ATOM 230 C SER A 47 7.544 3.042 10.964 1.00 16.03 C ATOM 231 O SER A 47 7.784 4.247 11.043 1.00 16.22 O ATOM 232 CB SER A 47 9.991 2.557 10.713 1.00 16.45 C ATOM 233 OG SER A 47 9.987 2.660 9.315 1.00 16.04 O ATOM 234 HG SER A 47 9.823 1.767 8.920 1.00 0.00 H ATOM 235 H SER A 47 8.091 0.662 9.629 1.00 0.00 H ATOM 236 N ILE A 48 6.337 2.567 10.681 1.00 15.00 N ATOM 237 CA ILE A 48 5.234 3.468 10.332 1.00 14.51 C ATOM 238 C ILE A 48 4.149 3.434 11.403 1.00 13.98 C ATOM 239 O ILE A 48 3.796 2.368 11.902 1.00 14.14 O ATOM 240 CB ILE A 48 4.632 3.125 8.926 1.00 14.68 C ATOM 241 CG1 ILE A 48 5.734 2.925 7.878 1.00 15.20 C ATOM 242 CG2 ILE A 48 3.714 4.214 8.425 1.00 14.51 C ATOM 243 CD1 ILE A 48 5.266 2.174 6.630 1.00 14.42 C ATOM 244 H ILE A 48 6.171 1.541 10.707 1.00 0.00 H ATOM 245 N SER A 49 3.619 4.601 11.760 1.00 13.73 N ATOM 246 CA SER A 49 2.444 4.670 12.648 1.00 13.35 C ATOM 247 C SER A 49 1.152 4.620 11.845 1.00 13.65 C ATOM 248 O SER A 49 1.175 4.741 10.612 1.00 13.63 O ATOM 249 CB SER A 49 2.467 5.931 13.511 1.00 13.07 C ATOM 250 OG SER A 49 2.402 7.095 12.707 1.00 12.01 O ATOM 251 HG SER A 49 2.418 7.897 13.287 1.00 0.00 H ATOM 252 H SER A 49 4.042 5.482 11.405 1.00 0.00 H ATOM 253 N ARG A 50 0.032 4.431 12.555 1.00 13.84 N ATOM 254 CA ARG A 50 -1.303 4.422 11.967 1.00 13.46 C ATOM 255 C ARG A 50 -1.549 5.723 11.195 1.00 13.00 C ATOM 256 O ARG A 50 -1.998 5.706 10.044 1.00 12.62 O ATOM 257 CB ARG A 50 -2.350 4.251 13.068 1.00 13.97 C ATOM 258 CG ARG A 50 -3.789 4.640 12.675 1.00 17.20 C ATOM 259 CD ARG A 50 -4.530 3.538 11.906 1.00 22.32 C ATOM 260 NE ARG A 50 -4.818 2.396 12.774 1.00 25.31 N ATOM 261 CZ ARG A 50 -5.225 1.200 12.351 1.00 27.30 C ATOM 262 NH1 ARG A 50 -5.401 0.965 11.053 1.00 26.30 N ATOM 263 NH2 ARG A 50 -5.450 0.228 13.241 1.00 28.63 N ATOM 264 HE ARG A 50 -4.696 2.528 13.798 1.00 0.00 H ATOM 265 HH12 ARG A 50 -5.719 0.028 10.733 1.00 0.00 H ATOM 266 HH11 ARG A 50 -5.221 1.718 10.359 1.00 0.00 H ATOM 267 HH22 ARG A 50 -5.768 -0.708 12.919 1.00 0.00 H ATOM 268 HH21 ARG A 50 -5.307 0.408 14.255 1.00 0.00 H ATOM 269 H ARG A 50 0.119 4.283 13.581 1.00 0.00 H ATOM 270 N THR A 51 -1.235 6.850 11.828 1.00 12.08 N ATOM 271 CA THR A 51 -1.503 8.127 11.204 1.00 11.34 C ATOM 272 C THR A 51 -0.565 8.361 10.021 1.00 10.98 C ATOM 273 O THR A 51 -0.961 8.963 9.024 1.00 11.26 O ATOM 274 CB THR A 51 -1.439 9.296 12.205 1.00 11.45 C ATOM 275 OG1 THR A 51 -0.158 9.314 12.857 1.00 10.61 O ATOM 276 CG2 THR A 51 -2.549 9.175 13.227 1.00 11.18 C ATOM 277 HG1 THR A 51 0.555 9.425 12.179 1.00 0.00 H ATOM 278 H THR A 51 -0.797 6.813 12.771 1.00 0.00 H ATOM 279 N GLU A 52 0.670 7.883 10.106 1.00 10.25 N ATOM 280 CA GLU A 52 1.550 7.999 8.947 1.00 9.48 C ATOM 281 C GLU A 52 1.054 7.130 7.781 1.00 9.41 C ATOM 282 O GLU A 52 0.956 7.602 6.641 1.00 9.49 O ATOM 283 CB GLU A 52 2.998 7.703 9.282 1.00 8.65 C ATOM 284 CG GLU A 52 3.910 7.990 8.109 1.00 8.14 C ATOM 285 CD GLU A 52 5.357 8.070 8.506 1.00 8.10 C ATOM 286 OE1 GLU A 52 5.646 8.006 9.713 1.00 9.38 O ATOM 287 OE2 GLU A 52 6.213 8.198 7.617 1.00 8.32 O ATOM 288 H GLU A 52 1.005 7.434 10.982 1.00 0.00 H ATOM 289 N ALA A 53 0.709 5.882 8.083 1.00 8.97 N ATOM 290 CA ALA A 53 0.121 4.981 7.094 1.00 8.94 C ATOM 291 C ALA A 53 -0.969 5.661 6.261 1.00 8.80 C ATOM 292 O ALA A 53 -0.941 5.595 5.038 1.00 8.97 O ATOM 293 CB ALA A 53 -0.423 3.728 7.771 1.00 8.99 C ATOM 294 H ALA A 53 0.862 5.537 9.052 1.00 0.00 H ATOM 295 N ALA A 54 -1.914 6.317 6.929 1.00 8.69 N ATOM 296 CA ALA A 54 -3.036 6.961 6.260 1.00 8.89 C ATOM 297 C ALA A 54 -2.527 8.063 5.354 1.00 9.14 C ATOM 298 O ALA A 54 -2.936 8.129 4.191 1.00 9.39 O ATOM 299 CB ALA A 54 -4.043 7.515 7.273 1.00 8.91 C ATOM 300 H ALA A 54 -1.849 6.372 7.966 1.00 0.00 H ATOM 301 N ASP A 55 -1.620 8.899 5.880 1.00 8.97 N ATOM 302 CA ASP A 55 -0.958 9.961 5.102 1.00 8.66 C ATOM 303 C ASP A 55 -0.222 9.467 3.873 1.00 8.15 C ATOM 304 O ASP A 55 -0.301 10.074 2.806 1.00 8.12 O ATOM 305 CB ASP A 55 -0.004 10.753 5.987 1.00 8.42 C ATOM 306 CG ASP A 55 -0.741 11.636 6.936 1.00 10.77 C ATOM 307 OD1 ASP A 55 -1.988 11.635 6.825 1.00 12.19 O ATOM 308 OD2 ASP A 55 -0.109 12.308 7.796 1.00 13.83 O ATOM 309 H ASP A 55 -1.372 8.793 6.884 1.00 0.00 H ATOM 310 N LEU A 56 0.502 8.370 4.050 1.00 7.95 N ATOM 311 CA LEU A 56 1.286 7.746 3.006 1.00 7.79 C ATOM 312 C LEU A 56 0.399 7.252 1.870 1.00 8.02 C ATOM 313 O LEU A 56 0.629 7.580 0.704 1.00 8.10 O ATOM 314 CB LEU A 56 2.096 6.594 3.616 1.00 7.80 C ATOM 315 CG LEU A 56 3.131 5.849 2.770 1.00 7.36 C ATOM 316 CD1 LEU A 56 4.086 6.800 2.116 1.00 6.10 C ATOM 317 CD2 LEU A 56 3.862 4.859 3.626 1.00 6.46 C ATOM 318 H LEU A 56 0.507 7.933 4.994 1.00 0.00 H ATOM 319 N CYS A 57 -0.623 6.474 2.213 1.00 8.18 N ATOM 320 CA CYS A 57 -1.563 5.955 1.224 1.00 8.62 C ATOM 321 C CYS A 57 -2.142 7.105 0.432 1.00 9.41 C ATOM 322 O CYS A 57 -2.256 7.035 -0.807 1.00 9.34 O ATOM 323 CB CYS A 57 -2.694 5.164 1.898 1.00 8.38 C ATOM 324 SG CYS A 57 -2.159 3.560 2.590 1.00 6.82 S ATOM 325 H CYS A 57 -0.757 6.228 3.215 1.00 0.00 H ATOM 326 N GLN A 58 -2.491 8.160 1.166 1.00 9.72 N ATOM 327 CA GLN A 58 -3.033 9.381 0.603 1.00 10.44 C ATOM 328 C GLN A 58 -2.104 9.982 -0.458 1.00 10.31 C ATOM 329 O GLN A 58 -2.573 10.441 -1.504 1.00 10.62 O ATOM 330 CB GLN A 58 -3.311 10.369 1.723 1.00 10.67 C ATOM 331 CG GLN A 58 -4.704 10.905 1.699 1.00 14.26 C ATOM 332 CD GLN A 58 -4.742 12.320 1.181 1.00 19.67 C ATOM 333 OE1 GLN A 58 -5.190 12.568 0.044 1.00 21.69 O ATOM 334 NE2 GLN A 58 -4.263 13.274 2.009 1.00 18.43 N ATOM 335 HE22 GLN A 58 -3.900 13.013 2.948 1.00 0.00 H ATOM 336 HE21 GLN A 58 -4.257 14.269 1.707 1.00 0.00 H ATOM 337 H GLN A 58 -2.368 8.105 2.197 1.00 0.00 H ATOM 338 N ALA A 59 -0.792 9.923 -0.216 1.00 9.79 N ATOM 339 CA ALA A 59 0.195 10.370 -1.192 1.00 9.72 C ATOM 340 C ALA A 59 0.192 9.539 -2.469 1.00 10.15 C ATOM 341 O ALA A 59 0.577 10.030 -3.522 1.00 10.72 O ATOM 342 CB ALA A 59 1.566 10.373 -0.580 1.00 9.94 C ATOM 343 H ALA A 59 -0.464 9.547 0.696 1.00 0.00 H ATOM 344 N PHE A 60 -0.225 8.279 -2.370 1.00 10.35 N ATOM 345 CA PHE A 60 -0.414 7.409 -3.524 1.00 10.34 C ATOM 346 C PHE A 60 -1.831 7.490 -4.131 1.00 10.82 C ATOM 347 O PHE A 60 -2.205 6.634 -4.932 1.00 10.67 O ATOM 348 CB PHE A 60 -0.184 5.953 -3.105 1.00 10.42 C ATOM 349 CG PHE A 60 1.260 5.571 -2.949 1.00 10.14 C ATOM 350 CD1 PHE A 60 2.076 5.397 -4.062 1.00 8.95 C ATOM 351 CD2 PHE A 60 1.789 5.337 -1.681 1.00 9.83 C ATOM 352 CE1 PHE A 60 3.402 5.013 -3.912 1.00 9.73 C ATOM 353 CE2 PHE A 60 3.111 4.965 -1.520 1.00 10.07 C ATOM 354 CZ PHE A 60 3.924 4.798 -2.640 1.00 10.07 C ATOM 355 H PHE A 60 -0.426 7.897 -1.424 1.00 0.00 H ATOM 356 N ASN A 61 -2.631 8.489 -3.745 1.00 11.14 N ATOM 357 CA ASN A 61 -4.046 8.534 -4.147 1.00 11.46 C ATOM 358 C ASN A 61 -4.805 7.262 -3.807 1.00 10.60 C ATOM 359 O ASN A 61 -5.701 6.851 -4.539 1.00 10.31 O ATOM 360 CB ASN A 61 -4.182 8.828 -5.642 1.00 12.18 C ATOM 361 CG ASN A 61 -4.348 10.288 -5.916 1.00 15.20 C ATOM 362 OD1 ASN A 61 -4.138 10.746 -7.044 1.00 18.86 O ATOM 363 ND2 ASN A 61 -4.713 11.054 -4.873 1.00 16.61 N ATOM 364 HD22 ASN A 61 -4.878 10.621 -3.942 1.00 0.00 H ATOM 365 HD21 ASN A 61 -4.830 12.080 -4.997 1.00 0.00 H ATOM 366 H ASN A 61 -2.246 9.249 -3.149 1.00 0.00 H ATOM 367 N SER A 62 -4.416 6.650 -2.691 1.00 10.05 N ATOM 368 CA SER A 62 -4.954 5.383 -2.227 1.00 9.01 C ATOM 369 C SER A 62 -5.554 5.582 -0.859 1.00 8.89 C ATOM 370 O SER A 62 -5.493 6.679 -0.304 1.00 9.37 O ATOM 371 CB SER A 62 -3.850 4.347 -2.144 1.00 8.43 C ATOM 372 OG SER A 62 -3.302 4.109 -3.424 1.00 8.71 O ATOM 373 HG SER A 62 -2.928 4.952 -3.783 1.00 0.00 H ATOM 374 H SER A 62 -3.681 7.108 -2.115 1.00 0.00 H ATOM 375 N THR A 63 -6.131 4.522 -0.316 1.00 8.13 N ATOM 376 CA THR A 63 -6.630 4.535 1.046 1.00 7.92 C ATOM 377 C THR A 63 -6.090 3.291 1.775 1.00 8.02 C ATOM 378 O THR A 63 -5.575 2.363 1.146 1.00 8.25 O ATOM 379 CB THR A 63 -8.186 4.566 1.067 1.00 8.14 C ATOM 380 OG1 THR A 63 -8.715 3.408 0.390 1.00 7.28 O ATOM 381 CG2 THR A 63 -8.723 5.851 0.386 1.00 7.52 C ATOM 382 HG1 THR A 63 -8.403 3.405 -0.549 1.00 0.00 H ATOM 383 H THR A 63 -6.229 3.655 -0.882 1.00 0.00 H ATOM 384 N LEU A 64 -6.157 3.289 3.098 1.00 7.93 N ATOM 385 CA LEU A 64 -5.927 2.074 3.863 1.00 7.94 C ATOM 386 C LEU A 64 -7.056 1.104 3.437 1.00 8.15 C ATOM 387 O LEU A 64 -8.224 1.528 3.358 1.00 8.24 O ATOM 388 CB LEU A 64 -6.026 2.388 5.362 1.00 7.74 C ATOM 389 CG LEU A 64 -4.844 2.712 6.268 1.00 7.27 C ATOM 390 CD1 LEU A 64 -3.568 3.043 5.504 1.00 7.88 C ATOM 391 CD2 LEU A 64 -5.225 3.861 7.193 1.00 6.99 C ATOM 392 H LEU A 64 -6.378 4.173 3.599 1.00 0.00 H ATOM 393 N PRO A 65 -6.716 -0.171 3.120 1.00 7.86 N ATOM 394 CA PRO A 65 -7.719 -1.118 2.622 1.00 7.80 C ATOM 395 C PRO A 65 -8.772 -1.469 3.663 1.00 7.72 C ATOM 396 O PRO A 65 -8.485 -1.444 4.854 1.00 8.25 O ATOM 397 CB PRO A 65 -6.886 -2.368 2.285 1.00 7.72 C ATOM 398 CG PRO A 65 -5.512 -1.863 2.056 1.00 7.80 C ATOM 399 CD PRO A 65 -5.353 -0.733 3.026 1.00 7.99 C ATOM 400 N THR A 66 -9.988 -1.775 3.223 1.00 7.66 N ATOM 401 CA THR A 66 -10.949 -2.424 4.102 1.00 7.71 C ATOM 402 C THR A 66 -10.587 -3.912 4.123 1.00 7.65 C ATOM 403 O THR A 66 -9.886 -4.383 3.239 1.00 7.89 O ATOM 404 CB THR A 66 -12.405 -2.253 3.603 1.00 8.15 C ATOM 405 OG1 THR A 66 -12.600 -3.053 2.429 1.00 8.85 O ATOM 406 CG2 THR A 66 -12.736 -0.764 3.309 1.00 7.08 C ATOM 407 HG1 THR A 66 -11.970 -2.760 1.723 1.00 0.00 H ATOM 408 H THR A 66 -10.255 -1.549 2.244 1.00 0.00 H ATOM 409 N MET A 67 -11.055 -4.653 5.121 1.00 7.89 N ATOM 410 CA MET A 67 -10.839 -6.115 5.177 1.00 7.92 C ATOM 411 C MET A 67 -11.267 -6.857 3.910 1.00 8.00 C ATOM 412 O MET A 67 -10.573 -7.776 3.454 1.00 7.66 O ATOM 413 CB MET A 67 -11.570 -6.718 6.374 1.00 7.76 C ATOM 414 CG MET A 67 -11.310 -8.198 6.552 1.00 8.59 C ATOM 415 SD MET A 67 -9.551 -8.596 6.697 1.00 10.12 S ATOM 416 CE MET A 67 -9.250 -8.165 8.420 1.00 7.20 C ATOM 417 H MET A 67 -11.589 -4.192 5.885 1.00 0.00 H ATOM 418 N ASP A 68 -12.416 -6.451 3.365 1.00 8.64 N ATOM 419 CA ASP A 68 -13.002 -7.070 2.168 1.00 9.34 C ATOM 420 C ASP A 68 -12.134 -6.900 0.928 1.00 9.14 C ATOM 421 O ASP A 68 -11.933 -7.861 0.163 1.00 9.23 O ATOM 422 CB ASP A 68 -14.455 -6.616 1.933 1.00 9.75 C ATOM 423 CG ASP A 68 -15.460 -7.381 2.815 1.00 11.65 C ATOM 424 OD1 ASP A 68 -15.125 -8.472 3.350 1.00 14.07 O ATOM 425 OD2 ASP A 68 -16.596 -6.900 2.971 1.00 12.73 O ATOM 426 H ASP A 68 -12.921 -5.658 3.809 1.00 0.00 H ATOM 427 N GLN A 69 -11.581 -5.706 0.752 1.00 8.58 N ATOM 428 CA GLN A 69 -10.620 -5.511 -0.329 1.00 8.41 C ATOM 429 C GLN A 69 -9.367 -6.347 -0.090 1.00 8.55 C ATOM 430 O GLN A 69 -8.773 -6.886 -1.034 1.00 8.72 O ATOM 431 CB GLN A 69 -10.253 -4.044 -0.495 1.00 7.94 C ATOM 432 CG GLN A 69 -11.439 -3.158 -0.756 1.00 7.20 C ATOM 433 CD GLN A 69 -11.149 -1.707 -0.401 1.00 7.02 C ATOM 434 OE1 GLN A 69 -10.355 -1.411 0.515 1.00 6.96 O ATOM 435 NE2 GLN A 69 -11.783 -0.796 -1.124 1.00 2.27 N ATOM 436 HE22 GLN A 69 -12.436 -1.092 -1.877 1.00 0.00 H ATOM 437 HE21 GLN A 69 -11.628 0.215 -0.938 1.00 0.00 H ATOM 438 H GLN A 69 -11.831 -4.915 1.380 1.00 0.00 H ATOM 439 N MET A 70 -8.958 -6.462 1.165 1.00 8.54 N ATOM 440 CA MET A 70 -7.756 -7.225 1.463 1.00 9.09 C ATOM 441 C MET A 70 -8.007 -8.732 1.208 1.00 8.92 C ATOM 442 O MET A 70 -7.163 -9.427 0.638 1.00 8.60 O ATOM 443 CB MET A 70 -7.255 -6.911 2.870 1.00 8.70 C ATOM 444 CG MET A 70 -6.112 -7.770 3.339 1.00 11.07 C ATOM 445 SD MET A 70 -4.560 -7.586 2.417 1.00 15.82 S ATOM 446 CE MET A 70 -4.216 -5.865 2.777 1.00 14.81 C ATOM 447 H MET A 70 -9.494 -6.009 1.933 1.00 0.00 H ATOM 448 N LYS A 71 -9.190 -9.208 1.581 1.00 8.99 N ATOM 449 CA LYS A 71 -9.603 -10.576 1.246 1.00 9.10 C ATOM 450 C LYS A 71 -9.601 -10.839 -0.258 1.00 8.83 C ATOM 451 O LYS A 71 -9.181 -11.908 -0.704 1.00 8.65 O ATOM 452 CB LYS A 71 -10.963 -10.927 1.872 1.00 8.68 C ATOM 453 CG LYS A 71 -10.821 -11.339 3.329 1.00 8.77 C ATOM 454 CD LYS A 71 -12.159 -11.600 3.995 1.00 9.78 C ATOM 455 CE LYS A 71 -11.954 -12.121 5.421 1.00 9.94 C ATOM 456 NZ LYS A 71 -13.259 -12.453 6.056 1.00 10.06 N ATOM 457 HZ1 LYS A 71 -13.852 -11.600 6.093 1.00 0.00 H ATOM 458 HZ2 LYS A 71 -13.739 -13.187 5.496 1.00 0.00 H ATOM 459 HZ3 LYS A 71 -13.094 -12.804 7.021 1.00 0.00 H ATOM 460 H LYS A 71 -9.837 -8.599 2.121 1.00 0.00 H ATOM 461 N LEU A 72 -10.052 -9.860 -1.034 1.00 8.80 N ATOM 462 CA LEU A 72 -10.054 -10.008 -2.486 1.00 9.07 C ATOM 463 C LEU A 72 -8.634 -10.044 -3.041 1.00 8.84 C ATOM 464 O LEU A 72 -8.321 -10.876 -3.894 1.00 8.85 O ATOM 465 CB LEU A 72 -10.879 -8.915 -3.196 1.00 8.95 C ATOM 466 CG LEU A 72 -11.183 -9.343 -4.653 1.00 10.34 C ATOM 467 CD1 LEU A 72 -12.253 -10.465 -4.710 1.00 8.06 C ATOM 468 CD2 LEU A 72 -11.555 -8.172 -5.557 1.00 10.47 C ATOM 469 H LEU A 72 -10.406 -8.982 -0.604 1.00 0.00 H ATOM 470 N ALA A 73 -7.793 -9.124 -2.561 1.00 8.89 N ATOM 471 CA ALA A 73 -6.394 -9.050 -2.966 1.00 8.64 C ATOM 472 C ALA A 73 -5.757 -10.427 -2.786 1.00 8.85 C ATOM 473 O ALA A 73 -5.133 -10.968 -3.715 1.00 8.84 O ATOM 474 CB ALA A 73 -5.660 -7.980 -2.164 1.00 7.54 C ATOM 475 H ALA A 73 -8.150 -8.433 -1.871 1.00 0.00 H ATOM 476 N LEU A 74 -5.968 -10.996 -1.598 1.00 8.83 N ATOM 477 CA LEU A 74 -5.434 -12.301 -1.217 1.00 9.03 C ATOM 478 C LEU A 74 -5.828 -13.397 -2.194 1.00 9.12 C ATOM 479 O LEU A 74 -4.981 -14.194 -2.606 1.00 9.74 O ATOM 480 CB LEU A 74 -5.860 -12.659 0.223 1.00 8.74 C ATOM 481 CG LEU A 74 -5.683 -14.096 0.729 1.00 9.08 C ATOM 482 CD1 LEU A 74 -4.250 -14.389 1.159 1.00 7.99 C ATOM 483 CD2 LEU A 74 -6.641 -14.349 1.888 1.00 10.14 C ATOM 484 H LEU A 74 -6.546 -10.481 -0.903 1.00 0.00 H ATOM 485 N SER A 75 -7.101 -13.421 -2.589 1.00 9.26 N ATOM 486 CA SER A 75 -7.623 -14.503 -3.432 1.00 9.25 C ATOM 487 C SER A 75 -7.067 -14.465 -4.856 1.00 9.40 C ATOM 488 O SER A 75 -7.152 -15.471 -5.578 1.00 9.80 O ATOM 489 CB SER A 75 -9.162 -14.562 -3.422 1.00 9.01 C ATOM 490 OG SER A 75 -9.716 -13.578 -4.278 1.00 9.29 O ATOM 491 HG SER A 75 -9.431 -12.680 -3.974 1.00 0.00 H ATOM 492 H SER A 75 -7.739 -12.655 -2.293 1.00 0.00 H ATOM 493 N LYS A 76 -6.493 -13.319 -5.241 1.00 9.19 N ATOM 494 CA LYS A 76 -5.839 -13.140 -6.555 1.00 8.81 C ATOM 495 C LYS A 76 -4.329 -13.380 -6.478 1.00 8.87 C ATOM 496 O LYS A 76 -3.616 -13.247 -7.485 1.00 8.67 O ATOM 497 CB LYS A 76 -6.046 -11.726 -7.087 1.00 8.39 C ATOM 498 CG LYS A 76 -7.396 -11.140 -6.868 1.00 8.27 C ATOM 499 CD LYS A 76 -8.293 -11.402 -8.038 1.00 8.42 C ATOM 500 CE LYS A 76 -9.400 -10.367 -8.133 1.00 7.46 C ATOM 501 NZ LYS A 76 -10.411 -10.777 -9.132 1.00 5.75 N ATOM 502 HZ1 LYS A 76 -9.958 -10.873 -10.063 1.00 0.00 H ATOM 503 HZ2 LYS A 76 -10.824 -11.689 -8.851 1.00 0.00 H ATOM 504 HZ3 LYS A 76 -11.159 -10.056 -9.182 1.00 0.00 H ATOM 505 H LYS A 76 -6.508 -12.514 -4.583 1.00 0.00 H ATOM 506 N GLY A 77 -3.830 -13.706 -5.288 1.00 8.78 N ATOM 507 CA GLY A 77 -2.437 -14.130 -5.169 1.00 8.97 C ATOM 508 C GLY A 77 -1.555 -13.279 -4.283 1.00 9.16 C ATOM 509 O GLY A 77 -0.351 -13.516 -4.209 1.00 9.37 O ATOM 510 H GLY A 77 -4.433 -13.659 -4.442 1.00 0.00 H ATOM 511 N PHE A 78 -2.163 -12.314 -3.594 1.00 8.79 N ATOM 512 CA PHE A 78 -1.458 -11.433 -2.689 1.00 8.51 C ATOM 513 C PHE A 78 -1.089 -12.096 -1.368 1.00 8.51 C ATOM 514 O PHE A 78 -1.950 -12.499 -0.588 1.00 8.13 O ATOM 515 CB PHE A 78 -2.296 -10.182 -2.411 1.00 8.21 C ATOM 516 CG PHE A 78 -1.545 -9.090 -1.699 1.00 7.42 C ATOM 517 CD1 PHE A 78 -0.266 -8.725 -2.104 1.00 6.93 C ATOM 518 CD2 PHE A 78 -2.130 -8.413 -0.637 1.00 6.44 C ATOM 519 CE1 PHE A 78 0.418 -7.694 -1.467 1.00 7.89 C ATOM 520 CE2 PHE A 78 -1.465 -7.388 0.008 1.00 7.33 C ATOM 521 CZ PHE A 78 -0.185 -7.021 -0.405 1.00 8.04 C ATOM 522 H PHE A 78 -3.189 -12.189 -3.712 1.00 0.00 H ATOM 523 N GLU A 79 0.211 -12.191 -1.126 1.00 9.01 N ATOM 524 CA GLU A 79 0.729 -12.550 0.183 1.00 9.35 C ATOM 525 C GLU A 79 2.038 -11.788 0.432 1.00 9.53 C ATOM 526 O GLU A 79 2.788 -11.502 -0.501 1.00 9.27 O ATOM 527 CB GLU A 79 0.891 -14.070 0.322 1.00 9.27 C ATOM 528 CG GLU A 79 2.200 -14.638 -0.187 1.00 10.15 C ATOM 529 CD GLU A 79 2.311 -16.156 -0.015 1.00 12.84 C ATOM 530 OE1 GLU A 79 1.765 -16.720 0.973 1.00 11.76 O ATOM 531 OE2 GLU A 79 2.964 -16.780 -0.883 1.00 13.37 O ATOM 532 H GLU A 79 0.882 -12.002 -1.898 1.00 0.00 H ATOM 533 N THR A 80 2.269 -11.417 1.689 1.00 10.20 N ATOM 534 CA THR A 80 3.543 -10.839 2.131 1.00 10.80 C ATOM 535 C THR A 80 3.984 -11.537 3.418 1.00 11.89 C ATOM 536 O THR A 80 3.244 -12.338 3.997 1.00 12.18 O ATOM 537 CB THR A 80 3.424 -9.338 2.432 1.00 10.60 C ATOM 538 OG1 THR A 80 2.636 -9.155 3.620 1.00 9.50 O ATOM 539 CG2 THR A 80 2.820 -8.572 1.244 1.00 9.79 C ATOM 540 HG1 THR A 80 2.557 -8.188 3.817 1.00 0.00 H ATOM 541 H THR A 80 1.511 -11.543 2.390 1.00 0.00 H ATOM 542 N CYS A 81 5.189 -11.234 3.870 1.00 13.03 N ATOM 543 CA CYS A 81 5.679 -11.796 5.112 1.00 14.25 C ATOM 544 C CYS A 81 5.947 -10.641 6.055 1.00 14.01 C ATOM 545 O CYS A 81 6.950 -10.628 6.785 1.00 14.38 O ATOM 546 CB CYS A 81 6.945 -12.625 4.873 1.00 14.69 C ATOM 547 SG CYS A 81 7.503 -13.554 6.350 1.00 19.27 S ATOM 548 H CYS A 81 5.793 -10.584 3.327 1.00 0.00 H ATOM 549 N ARG A 82 5.040 -9.663 6.023 1.00 13.77 N ATOM 550 CA ARG A 82 5.170 -8.432 6.807 1.00 13.03 C ATOM 551 C ARG A 82 3.803 -7.991 7.307 1.00 12.72 C ATOM 552 O ARG A 82 2.844 -7.966 6.536 1.00 12.86 O ATOM 553 CB ARG A 82 5.832 -7.326 5.964 1.00 12.76 C ATOM 554 CG ARG A 82 7.336 -7.523 5.717 1.00 12.52 C ATOM 555 CD ARG A 82 8.212 -6.688 6.666 1.00 13.86 C ATOM 556 NE ARG A 82 9.629 -6.738 6.291 1.00 16.56 N ATOM 557 CZ ARG A 82 10.277 -5.862 5.501 1.00 18.43 C ATOM 558 NH1 ARG A 82 9.654 -4.811 4.983 1.00 19.04 N ATOM 559 NH2 ARG A 82 11.578 -6.026 5.237 1.00 16.52 N ATOM 560 HE ARG A 82 10.188 -7.528 6.673 1.00 0.00 H ATOM 561 HH12 ARG A 82 10.173 -4.146 4.375 1.00 0.00 H ATOM 562 HH11 ARG A 82 8.646 -4.652 5.185 1.00 0.00 H ATOM 563 HH22 ARG A 82 12.074 -5.346 4.626 1.00 0.00 H ATOM 564 HH21 ARG A 82 12.093 -6.833 5.643 1.00 0.00 H ATOM 565 H ARG A 82 4.204 -9.779 5.415 1.00 0.00 H ATOM 566 N TYR A 83 3.716 -7.661 8.599 1.00 12.52 N ATOM 567 CA TYR A 83 2.517 -7.055 9.185 1.00 12.42 C ATOM 568 C TYR A 83 2.330 -5.621 8.727 1.00 11.95 C ATOM 569 O TYR A 83 3.294 -4.873 8.581 1.00 11.85 O ATOM 570 CB TYR A 83 2.615 -7.041 10.704 1.00 13.20 C ATOM 571 CG TYR A 83 2.505 -8.402 11.340 1.00 15.72 C ATOM 572 CD1 TYR A 83 1.256 -9.004 11.533 1.00 17.64 C ATOM 573 CD2 TYR A 83 3.646 -9.089 11.752 1.00 16.57 C ATOM 574 CE1 TYR A 83 1.151 -10.253 12.119 1.00 19.53 C ATOM 575 CE2 TYR A 83 3.551 -10.341 12.343 1.00 18.84 C ATOM 576 CZ TYR A 83 2.308 -10.922 12.515 1.00 19.51 C ATOM 577 OH TYR A 83 2.216 -12.165 13.094 1.00 20.55 O ATOM 578 HH TYR A 83 2.718 -12.820 12.548 1.00 0.00 H ATOM 579 H TYR A 83 4.534 -7.842 9.215 1.00 0.00 H ATOM 580 N GLY A 84 1.084 -5.212 8.536 1.00 11.60 N ATOM 581 CA GLY A 84 0.820 -3.852 8.078 1.00 10.81 C ATOM 582 C GLY A 84 -0.603 -3.390 8.289 1.00 10.10 C ATOM 583 O GLY A 84 -1.532 -4.205 8.358 1.00 9.82 O ATOM 584 H GLY A 84 0.292 -5.862 8.713 1.00 0.00 H ATOM 585 N PHE A 85 -0.762 -2.072 8.380 1.00 9.13 N ATOM 586 CA PHE A 85 -2.061 -1.467 8.620 1.00 8.69 C ATOM 587 C PHE A 85 -3.033 -1.703 7.491 1.00 8.57 C ATOM 588 O PHE A 85 -2.675 -1.633 6.310 1.00 8.09 O ATOM 589 CB PHE A 85 -1.925 0.038 8.860 1.00 8.20 C ATOM 590 CG PHE A 85 -1.087 0.379 10.049 1.00 7.70 C ATOM 591 CD1 PHE A 85 -1.603 0.270 11.339 1.00 7.44 C ATOM 592 CD2 PHE A 85 0.230 0.788 9.890 1.00 6.90 C ATOM 593 CE1 PHE A 85 -0.812 0.592 12.458 1.00 6.03 C ATOM 594 CE2 PHE A 85 1.016 1.106 10.998 1.00 6.44 C ATOM 595 CZ PHE A 85 0.496 1.001 12.281 1.00 5.11 C ATOM 596 H PHE A 85 0.069 -1.456 8.276 1.00 0.00 H ATOM 597 N ILE A 86 -4.263 -2.020 7.879 1.00 8.76 N ATOM 598 CA ILE A 86 -5.426 -1.753 7.043 1.00 8.88 C ATOM 599 C ILE A 86 -6.335 -0.807 7.826 1.00 9.50 C ATOM 600 O ILE A 86 -5.982 -0.374 8.929 1.00 9.80 O ATOM 601 CB ILE A 86 -6.191 -3.028 6.654 1.00 8.78 C ATOM 602 CG1 ILE A 86 -6.597 -3.827 7.896 1.00 8.14 C ATOM 603 CG2 ILE A 86 -5.377 -3.854 5.677 1.00 7.67 C ATOM 604 CD1 ILE A 86 -7.859 -4.596 7.714 1.00 6.96 C ATOM 605 H ILE A 86 -4.400 -2.472 8.806 1.00 0.00 H ATOM 606 N GLU A 87 -7.487 -0.471 7.253 1.00 9.98 N ATOM 607 CA GLU A 87 -8.541 0.209 8.003 1.00 10.46 C ATOM 608 C GLU A 87 -8.959 -0.670 9.214 1.00 10.42 C ATOM 609 O GLU A 87 -9.515 -1.779 9.058 1.00 10.52 O ATOM 610 CB GLU A 87 -9.727 0.508 7.079 1.00 10.26 C ATOM 611 CG GLU A 87 -10.697 1.540 7.616 1.00 12.87 C ATOM 612 CD GLU A 87 -10.007 2.814 8.140 1.00 15.49 C ATOM 613 OE1 GLU A 87 -9.300 3.499 7.362 1.00 15.25 O ATOM 614 OE2 GLU A 87 -10.190 3.135 9.337 1.00 16.91 O ATOM 615 H GLU A 87 -7.641 -0.697 6.250 1.00 0.00 H ATOM 616 N GLY A 88 -8.637 -0.195 10.414 1.00 9.95 N ATOM 617 CA GLY A 88 -9.081 -0.844 11.652 1.00 9.35 C ATOM 618 C GLY A 88 -8.134 -1.826 12.333 1.00 9.02 C ATOM 619 O GLY A 88 -8.125 -1.929 13.559 1.00 8.84 O ATOM 620 H GLY A 88 -8.052 0.663 10.476 1.00 0.00 H ATOM 621 N ASN A 89 -7.323 -2.535 11.552 1.00 8.61 N ATOM 622 CA ASN A 89 -6.496 -3.618 12.090 1.00 7.96 C ATOM 623 C ASN A 89 -5.130 -3.693 11.456 1.00 7.82 C ATOM 624 O ASN A 89 -4.850 -3.007 10.471 1.00 7.51 O ATOM 625 CB ASN A 89 -7.177 -4.984 11.907 1.00 7.88 C ATOM 626 CG ASN A 89 -8.356 -5.163 12.803 1.00 7.50 C ATOM 627 OD1 ASN A 89 -9.477 -4.804 12.439 1.00 7.26 O ATOM 628 ND2 ASN A 89 -8.126 -5.739 13.989 1.00 6.44 N ATOM 629 HD22 ASN A 89 -7.161 -6.024 14.250 1.00 0.00 H ATOM 630 HD21 ASN A 89 -8.913 -5.901 14.650 1.00 0.00 H ATOM 631 H ASN A 89 -7.275 -2.315 10.537 1.00 0.00 H ATOM 632 N VAL A 90 -4.292 -4.546 12.039 1.00 7.85 N ATOM 633 CA VAL A 90 -2.962 -4.832 11.532 1.00 8.09 C ATOM 634 C VAL A 90 -2.974 -6.278 11.113 1.00 8.36 C ATOM 635 O VAL A 90 -3.301 -7.157 11.905 1.00 9.11 O ATOM 636 CB VAL A 90 -1.889 -4.633 12.613 1.00 7.87 C ATOM 637 CG1 VAL A 90 -0.569 -5.237 12.171 1.00 7.09 C ATOM 638 CG2 VAL A 90 -1.741 -3.146 12.936 1.00 8.39 C ATOM 639 H VAL A 90 -4.606 -5.033 12.903 1.00 0.00 H ATOM 640 N VAL A 91 -2.598 -6.532 9.872 1.00 8.43 N ATOM 641 CA VAL A 91 -2.832 -7.832 9.268 1.00 8.00 C ATOM 642 C VAL A 91 -1.661 -8.266 8.395 1.00 8.36 C ATOM 643 O VAL A 91 -0.797 -7.455 8.041 1.00 8.96 O ATOM 644 CB VAL A 91 -4.093 -7.777 8.410 1.00 8.04 C ATOM 645 CG1 VAL A 91 -5.349 -7.455 9.292 1.00 8.25 C ATOM 646 CG2 VAL A 91 -3.922 -6.754 7.303 1.00 5.77 C ATOM 647 H VAL A 91 -2.127 -5.788 9.318 1.00 0.00 H ATOM 648 N ILE A 92 -1.624 -9.552 8.063 1.00 7.99 N ATOM 649 CA ILE A 92 -0.663 -10.071 7.105 1.00 7.61 C ATOM 650 C ILE A 92 -1.406 -11.090 6.258 1.00 7.62 C ATOM 651 O ILE A 92 -2.038 -11.998 6.801 1.00 7.90 O ATOM 652 CB ILE A 92 0.590 -10.658 7.796 1.00 7.44 C ATOM 653 CG1 ILE A 92 1.489 -11.354 6.785 1.00 7.73 C ATOM 654 CG2 ILE A 92 0.208 -11.592 8.931 1.00 8.05 C ATOM 655 CD1 ILE A 92 2.699 -11.988 7.392 1.00 7.52 C ATOM 656 H ILE A 92 -2.303 -10.206 8.502 1.00 0.00 H ATOM 657 N PRO A 93 -1.387 -10.910 4.924 1.00 7.57 N ATOM 658 CA PRO A 93 -2.092 -11.852 4.064 1.00 7.42 C ATOM 659 C PRO A 93 -1.218 -13.072 3.744 1.00 7.64 C ATOM 660 O PRO A 93 -0.091 -12.919 3.249 1.00 8.20 O ATOM 661 CB PRO A 93 -2.364 -11.020 2.804 1.00 7.13 C ATOM 662 CG PRO A 93 -1.223 -10.078 2.729 1.00 6.86 C ATOM 663 CD PRO A 93 -0.765 -9.820 4.148 1.00 7.24 C ATOM 664 N ARG A 94 -1.729 -14.269 4.022 1.00 7.38 N ATOM 665 CA ARG A 94 -0.989 -15.501 3.754 1.00 7.15 C ATOM 666 C ARG A 94 -1.757 -16.503 2.875 1.00 7.37 C ATOM 667 O ARG A 94 -2.854 -16.906 3.196 1.00 6.69 O ATOM 668 CB ARG A 94 -0.557 -16.158 5.080 1.00 7.14 C ATOM 669 CG ARG A 94 0.393 -15.323 5.961 1.00 5.89 C ATOM 670 CD ARG A 94 1.746 -15.084 5.318 1.00 4.89 C ATOM 671 NE ARG A 94 2.336 -16.325 4.799 1.00 8.30 N ATOM 672 CZ ARG A 94 3.310 -16.381 3.885 1.00 9.05 C ATOM 673 NH1 ARG A 94 3.820 -15.257 3.366 1.00 9.62 N ATOM 674 NH2 ARG A 94 3.767 -17.557 3.475 1.00 6.60 N ATOM 675 HE ARG A 94 1.970 -17.225 5.169 1.00 0.00 H ATOM 676 HH12 ARG A 94 4.578 -15.309 2.655 1.00 0.00 H ATOM 677 HH11 ARG A 94 3.459 -14.332 3.673 1.00 0.00 H ATOM 678 HH22 ARG A 94 4.525 -17.601 2.764 1.00 0.00 H ATOM 679 HH21 ARG A 94 3.368 -18.435 3.865 1.00 0.00 H ATOM 680 H ARG A 94 -2.679 -14.330 4.441 1.00 0.00 H ATOM 681 N ILE A 95 -1.150 -16.896 1.762 1.00 8.79 N ATOM 682 CA ILE A 95 -1.652 -17.981 0.918 1.00 9.95 C ATOM 683 C ILE A 95 -0.993 -19.312 1.321 1.00 10.99 C ATOM 684 O ILE A 95 -1.670 -20.262 1.701 1.00 10.88 O ATOM 685 CB ILE A 95 -1.386 -17.682 -0.561 1.00 9.94 C ATOM 686 CG1 ILE A 95 -2.235 -16.484 -1.012 1.00 9.34 C ATOM 687 CG2 ILE A 95 -1.628 -18.920 -1.432 1.00 9.46 C ATOM 688 CD1 ILE A 95 -1.836 -15.931 -2.372 1.00 8.33 C ATOM 689 H ILE A 95 -0.276 -16.410 1.476 1.00 0.00 H ATOM 690 N HIS A 96 0.333 -19.337 1.277 1.00 12.65 N ATOM 691 CA HIS A 96 1.130 -20.530 1.538 1.00 14.20 C ATOM 692 C HIS A 96 1.621 -20.551 2.996 1.00 15.23 C ATOM 693 O HIS A 96 2.239 -19.585 3.448 1.00 15.98 O ATOM 694 CB HIS A 96 2.310 -20.576 0.555 1.00 13.91 C ATOM 695 CG HIS A 96 1.904 -20.557 -0.893 1.00 14.94 C ATOM 696 ND1 HIS A 96 2.037 -19.439 -1.694 1.00 17.55 N ATOM 697 CD2 HIS A 96 1.380 -21.522 -1.688 1.00 16.58 C ATOM 698 CE1 HIS A 96 1.611 -19.717 -2.918 1.00 18.21 C ATOM 699 NE2 HIS A 96 1.201 -20.974 -2.940 1.00 17.04 N ATOM 700 H HIS A 96 0.832 -18.455 1.043 1.00 0.00 H ATOM 701 N PRO A 97 1.340 -21.638 3.748 1.00 16.06 N ATOM 702 CA PRO A 97 1.803 -21.695 5.150 1.00 16.77 C ATOM 703 C PRO A 97 3.321 -21.550 5.261 1.00 17.47 C ATOM 704 O PRO A 97 4.053 -22.075 4.421 1.00 17.64 O ATOM 705 CB PRO A 97 1.381 -23.100 5.611 1.00 16.61 C ATOM 706 CG PRO A 97 0.287 -23.495 4.705 1.00 15.85 C ATOM 707 CD PRO A 97 0.569 -22.839 3.376 1.00 15.95 C ATOM 708 N ASN A 98 3.775 -20.839 6.292 1.00 18.39 N ATOM 709 CA ASN A 98 5.198 -20.524 6.517 1.00 18.48 C ATOM 710 C ASN A 98 5.396 -20.295 8.010 1.00 19.18 C ATOM 711 O ASN A 98 4.571 -19.657 8.660 1.00 18.97 O ATOM 712 CB ASN A 98 5.584 -19.281 5.720 1.00 18.01 C ATOM 713 CG ASN A 98 7.081 -18.981 5.745 1.00 17.53 C ATOM 714 OD1 ASN A 98 7.737 -18.994 6.799 1.00 16.58 O ATOM 715 ND2 ASN A 98 7.617 -18.655 4.576 1.00 15.37 N ATOM 716 HD22 ASN A 98 7.031 -18.657 3.717 1.00 0.00 H ATOM 717 HD21 ASN A 98 8.623 -18.397 4.519 1.00 0.00 H ATOM 718 H ASN A 98 3.082 -20.484 6.982 1.00 0.00 H ATOM 719 N ALA A 99 6.476 -20.837 8.558 1.00 20.31 N ATOM 720 CA ALA A 99 6.691 -20.827 10.007 1.00 21.54 C ATOM 721 C ALA A 99 7.037 -19.423 10.560 1.00 22.35 C ATOM 722 O ALA A 99 6.587 -19.033 11.658 1.00 22.51 O ATOM 723 CB ALA A 99 7.757 -21.868 10.387 1.00 21.38 C ATOM 724 H ALA A 99 7.188 -21.280 7.943 1.00 0.00 H ATOM 725 N ILE A 100 7.814 -18.666 9.780 1.00 22.95 N ATOM 726 CA ILE A 100 8.187 -17.283 10.126 1.00 23.11 C ATOM 727 C ILE A 100 7.235 -16.190 9.560 1.00 23.23 C ATOM 728 O ILE A 100 7.451 -14.997 9.808 1.00 23.64 O ATOM 729 CB ILE A 100 9.647 -16.983 9.700 1.00 23.17 C ATOM 730 CG1 ILE A 100 9.819 -17.176 8.179 1.00 23.67 C ATOM 731 CG2 ILE A 100 10.598 -17.875 10.480 1.00 23.39 C ATOM 732 CD1 ILE A 100 11.169 -16.736 7.603 1.00 23.65 C ATOM 733 H ILE A 100 8.171 -19.070 8.891 1.00 0.00 H ATOM 734 N CYS A 101 6.201 -16.569 8.803 1.00 22.37 N ATOM 735 CA CYS A 101 5.210 -15.582 8.383 1.00 21.90 C ATOM 736 C CYS A 101 3.829 -15.937 8.907 1.00 21.94 C ATOM 737 O CYS A 101 3.055 -16.626 8.237 1.00 22.30 O ATOM 738 CB CYS A 101 5.161 -15.418 6.871 1.00 21.52 C ATOM 739 SG CYS A 101 6.737 -15.411 6.035 1.00 21.78 S ATOM 740 H CYS A 101 6.102 -17.563 8.514 1.00 0.00 H ATOM 741 N ALA A 102 3.525 -15.459 10.110 1.00 21.61 N ATOM 742 CA ALA A 102 2.211 -15.635 10.742 1.00 21.26 C ATOM 743 C ALA A 102 2.003 -17.019 11.363 1.00 21.01 C ATOM 744 O ALA A 102 0.870 -17.384 11.713 1.00 21.16 O ATOM 745 CB ALA A 102 1.071 -15.274 9.763 1.00 21.21 C ATOM 746 H ALA A 102 4.256 -14.933 10.631 1.00 0.00 H ATOM 747 N ALA A 103 3.102 -17.770 11.510 1.00 20.78 N ATOM 748 CA ALA A 103 3.111 -19.113 12.130 1.00 20.04 C ATOM 749 C ALA A 103 2.168 -20.086 11.425 1.00 19.57 C ATOM 750 O ALA A 103 1.306 -20.703 12.067 1.00 19.55 O ATOM 751 CB ALA A 103 2.786 -19.037 13.646 1.00 19.86 C ATOM 752 H ALA A 103 4.005 -17.385 11.167 1.00 0.00 H ATOM 753 N ASN A 104 2.327 -20.196 10.106 1.00 18.76 N ATOM 754 CA ASN A 104 1.574 -21.155 9.289 1.00 18.47 C ATOM 755 C ASN A 104 0.070 -20.902 9.172 1.00 18.11 C ATOM 756 O ASN A 104 -0.656 -21.757 8.651 1.00 18.37 O ATOM 757 CB ASN A 104 1.790 -22.588 9.781 1.00 18.20 C ATOM 758 CG ASN A 104 3.223 -23.042 9.641 1.00 18.69 C ATOM 759 OD1 ASN A 104 3.826 -22.965 8.555 1.00 17.16 O ATOM 760 ND2 ASN A 104 3.778 -23.544 10.742 1.00 18.17 N ATOM 761 HD22 ASN A 104 3.232 -23.587 11.626 1.00 0.00 H ATOM 762 HD21 ASN A 104 4.757 -23.893 10.718 1.00 0.00 H ATOM 763 H ASN A 104 3.015 -19.575 9.635 1.00 0.00 H ATOM 764 N HIS A 105 -0.409 -19.763 9.659 1.00 17.22 N ATOM 765 CA HIS A 105 -1.789 -19.404 9.392 1.00 16.78 C ATOM 766 C HIS A 105 -1.927 -19.035 7.904 1.00 16.16 C ATOM 767 O HIS A 105 -0.937 -18.700 7.227 1.00 15.98 O ATOM 768 CB HIS A 105 -2.260 -18.263 10.295 1.00 17.01 C ATOM 769 CG HIS A 105 -2.444 -18.658 11.726 1.00 17.77 C ATOM 770 ND1 HIS A 105 -1.398 -18.705 12.628 1.00 19.06 N ATOM 771 CD2 HIS A 105 -3.553 -19.011 12.417 1.00 18.45 C ATOM 772 CE1 HIS A 105 -1.854 -19.080 13.810 1.00 18.60 C ATOM 773 NE2 HIS A 105 -3.159 -19.266 13.710 1.00 19.51 N ATOM 774 H HIS A 105 0.198 -19.136 10.225 1.00 0.00 H ATOM 775 N THR A 106 -3.152 -19.137 7.398 1.00 15.14 N ATOM 776 CA THR A 106 -3.467 -18.766 6.024 1.00 13.98 C ATOM 777 C THR A 106 -4.711 -17.901 6.074 1.00 13.64 C ATOM 778 O THR A 106 -5.475 -17.970 7.033 1.00 13.53 O ATOM 779 CB THR A 106 -3.688 -20.015 5.096 1.00 14.33 C ATOM 780 OG1 THR A 106 -4.743 -20.849 5.612 1.00 12.25 O ATOM 781 CG2 THR A 106 -2.367 -20.842 4.906 1.00 13.35 C ATOM 782 HG1 THR A 106 -5.583 -20.327 5.655 1.00 0.00 H ATOM 783 H THR A 106 -3.916 -19.496 8.006 1.00 0.00 H ATOM 784 N GLY A 107 -4.908 -17.087 5.040 1.00 13.26 N ATOM 785 CA GLY A 107 -5.991 -16.114 5.002 1.00 12.25 C ATOM 786 C GLY A 107 -5.446 -14.753 5.388 1.00 12.17 C ATOM 787 O GLY A 107 -4.220 -14.562 5.459 1.00 11.63 O ATOM 788 H GLY A 107 -4.263 -17.148 4.227 1.00 0.00 H ATOM 789 N VAL A 108 -6.349 -13.803 5.635 1.00 11.87 N ATOM 790 CA VAL A 108 -5.936 -12.500 6.144 1.00 11.12 C ATOM 791 C VAL A 108 -5.848 -12.600 7.658 1.00 11.33 C ATOM 792 O VAL A 108 -6.867 -12.523 8.338 1.00 10.87 O ATOM 793 CB VAL A 108 -6.890 -11.357 5.737 1.00 10.79 C ATOM 794 CG1 VAL A 108 -6.370 -10.030 6.285 1.00 10.54 C ATOM 795 CG2 VAL A 108 -7.003 -11.270 4.237 1.00 9.03 C ATOM 796 H VAL A 108 -7.357 -13.993 5.463 1.00 0.00 H ATOM 797 N TYR A 109 -4.627 -12.790 8.170 1.00 11.69 N ATOM 798 CA TYR A 109 -4.422 -12.991 9.600 1.00 12.14 C ATOM 799 C TYR A 109 -4.330 -11.658 10.317 1.00 11.83 C ATOM 800 O TYR A 109 -3.525 -10.775 9.964 1.00 11.71 O ATOM 801 CB TYR A 109 -3.183 -13.856 9.913 1.00 13.00 C ATOM 802 CG TYR A 109 -2.940 -14.006 11.422 1.00 15.89 C ATOM 803 CD1 TYR A 109 -3.777 -14.799 12.212 1.00 19.36 C ATOM 804 CD2 TYR A 109 -1.906 -13.322 12.056 1.00 18.39 C ATOM 805 CE1 TYR A 109 -3.582 -14.910 13.599 1.00 21.19 C ATOM 806 CE2 TYR A 109 -1.701 -13.426 13.443 1.00 20.44 C ATOM 807 CZ TYR A 109 -2.545 -14.223 14.206 1.00 21.93 C ATOM 808 OH TYR A 109 -2.341 -14.343 15.572 1.00 23.69 O ATOM 809 HH TYR A 109 -1.441 -14.720 15.738 1.00 0.00 H ATOM 810 H TYR A 109 -3.805 -12.795 7.534 1.00 0.00 H ATOM 811 N ILE A 110 -5.159 -11.525 11.335 1.00 11.15 N ATOM 812 CA ILE A 110 -5.205 -10.320 12.120 1.00 11.24 C ATOM 813 C ILE A 110 -4.209 -10.387 13.290 1.00 11.76 C ATOM 814 O ILE A 110 -4.218 -11.352 14.079 1.00 12.11 O ATOM 815 CB ILE A 110 -6.629 -10.070 12.611 1.00 10.68 C ATOM 816 CG1 ILE A 110 -7.572 -9.976 11.399 1.00 10.16 C ATOM 817 CG2 ILE A 110 -6.679 -8.806 13.454 1.00 10.81 C ATOM 818 CD1 ILE A 110 -9.071 -9.995 11.745 1.00 10.10 C ATOM 819 H ILE A 110 -5.795 -12.311 11.576 1.00 0.00 H ATOM 820 N LEU A 111 -3.336 -9.385 13.396 1.00 11.71 N ATOM 821 CA LEU A 111 -2.490 -9.280 14.587 1.00 12.35 C ATOM 822 C LEU A 111 -3.359 -9.018 15.842 1.00 12.63 C ATOM 823 O LEU A 111 -4.197 -8.095 15.857 1.00 12.90 O ATOM 824 CB LEU A 111 -1.401 -8.216 14.409 1.00 12.30 C ATOM 825 CG LEU A 111 -0.501 -7.921 15.614 1.00 12.34 C ATOM 826 CD1 LEU A 111 0.807 -8.682 15.555 1.00 10.93 C ATOM 827 CD2 LEU A 111 -0.242 -6.414 15.682 1.00 11.73 C ATOM 828 H LEU A 111 -3.256 -8.680 12.635 1.00 0.00 H ATOM 829 N VAL A 112 -3.161 -9.840 16.878 1.00 12.48 N ATOM 830 CA VAL A 112 -3.987 -9.780 18.085 1.00 11.82 C ATOM 831 C VAL A 112 -3.284 -9.092 19.263 1.00 12.05 C ATOM 832 O VAL A 112 -3.816 -8.100 19.801 1.00 12.69 O ATOM 833 CB VAL A 112 -4.515 -11.180 18.505 1.00 11.68 C ATOM 834 CG1 VAL A 112 -5.236 -11.094 19.855 1.00 10.77 C ATOM 835 CG2 VAL A 112 -5.442 -11.765 17.436 1.00 10.16 C ATOM 836 H VAL A 112 -2.397 -10.543 16.825 1.00 0.00 H ATOM 837 N THR A 113 -2.118 -9.607 19.670 1.00 11.15 N ATOM 838 CA THR A 113 -1.396 -9.039 20.809 1.00 11.08 C ATOM 839 C THR A 113 -0.018 -8.487 20.422 1.00 10.80 C ATOM 840 O THR A 113 0.814 -9.204 19.871 1.00 11.52 O ATOM 841 CB THR A 113 -1.275 -10.052 21.982 1.00 11.23 C ATOM 842 OG1 THR A 113 -2.534 -10.710 22.186 1.00 12.77 O ATOM 843 CG2 THR A 113 -0.887 -9.356 23.283 1.00 11.26 C ATOM 844 HG1 THR A 113 -2.451 -11.354 22.934 1.00 0.00 H ATOM 845 H THR A 113 -1.718 -10.425 19.168 1.00 0.00 H ATOM 846 N SER A 114 0.208 -7.202 20.691 1.00 10.21 N ATOM 847 CA SER A 114 1.520 -6.575 20.488 1.00 9.68 C ATOM 848 C SER A 114 1.643 -5.414 21.472 1.00 9.66 C ATOM 849 O SER A 114 0.630 -4.807 21.846 1.00 9.72 O ATOM 850 CB SER A 114 1.725 -6.109 19.026 1.00 9.85 C ATOM 851 OG SER A 114 2.944 -5.374 18.823 1.00 8.07 O ATOM 852 HG SER A 114 3.013 -5.107 17.872 1.00 0.00 H ATOM 853 H SER A 114 -0.573 -6.622 21.058 1.00 0.00 H ATOM 854 N ASN A 115 2.874 -5.152 21.913 1.00 9.51 N ATOM 855 CA ASN A 115 3.203 -4.036 22.805 1.00 9.70 C ATOM 856 C ASN A 115 3.259 -2.727 22.036 1.00 9.59 C ATOM 857 O ASN A 115 2.938 -1.670 22.572 1.00 9.63 O ATOM 858 CB ASN A 115 4.591 -4.251 23.429 1.00 9.83 C ATOM 859 CG ASN A 115 4.568 -5.155 24.648 1.00 10.26 C ATOM 860 OD1 ASN A 115 3.507 -5.527 25.154 1.00 12.18 O ATOM 861 ND2 ASN A 115 5.749 -5.512 25.130 1.00 9.59 N ATOM 862 HD22 ASN A 115 6.620 -5.176 24.673 1.00 0.00 H ATOM 863 HD21 ASN A 115 5.805 -6.129 25.966 1.00 0.00 H ATOM 864 H ASN A 115 3.647 -5.777 21.606 1.00 0.00 H ATOM 865 N THR A 116 3.647 -2.833 20.765 1.00 9.36 N ATOM 866 CA THR A 116 4.157 -1.716 19.981 1.00 9.06 C ATOM 867 C THR A 116 3.213 -1.291 18.858 1.00 8.58 C ATOM 868 O THR A 116 2.310 -2.038 18.491 1.00 8.34 O ATOM 869 CB THR A 116 5.468 -2.122 19.326 1.00 9.35 C ATOM 870 OG1 THR A 116 5.218 -3.298 18.546 1.00 10.84 O ATOM 871 CG2 THR A 116 6.553 -2.408 20.369 1.00 8.06 C ATOM 872 HG1 THR A 116 4.889 -4.021 19.137 1.00 0.00 H ATOM 873 H THR A 116 3.582 -3.765 20.308 1.00 0.00 H ATOM 874 N SER A 117 3.483 -0.111 18.287 1.00 8.19 N ATOM 875 CA SER A 117 2.548 0.604 17.414 1.00 8.01 C ATOM 876 C SER A 117 3.000 0.747 15.971 1.00 7.87 C ATOM 877 O SER A 117 2.212 1.136 15.111 1.00 8.39 O ATOM 878 CB SER A 117 2.240 2.001 17.982 1.00 8.03 C ATOM 879 OG SER A 117 3.409 2.790 18.098 1.00 8.53 O ATOM 880 HG SER A 117 3.821 2.901 17.205 1.00 0.00 H ATOM 881 H SER A 117 4.409 0.323 18.474 1.00 0.00 H ATOM 882 N HIS A 118 4.258 0.431 15.697 1.00 7.73 N ATOM 883 CA HIS A 118 4.809 0.641 14.364 1.00 7.22 C ATOM 884 C HIS A 118 4.864 -0.660 13.499 1.00 7.10 C ATOM 885 O HIS A 118 5.323 -1.717 13.958 1.00 7.44 O ATOM 886 CB HIS A 118 6.175 1.319 14.490 1.00 6.79 C ATOM 887 CG HIS A 118 6.109 2.805 14.720 1.00 7.17 C ATOM 888 ND1 HIS A 118 5.139 3.408 15.498 1.00 7.33 N ATOM 889 CD2 HIS A 118 6.928 3.806 14.304 1.00 6.23 C ATOM 890 CE1 HIS A 118 5.342 4.715 15.523 1.00 6.28 C ATOM 891 NE2 HIS A 118 6.420 4.983 14.804 1.00 6.04 N ATOM 892 H HIS A 118 4.860 0.028 16.443 1.00 0.00 H ATOM 893 N TYR A 119 4.366 -0.575 12.263 1.00 6.32 N ATOM 894 CA TYR A 119 4.391 -1.697 11.303 1.00 5.82 C ATOM 895 C TYR A 119 4.615 -1.135 9.913 1.00 5.63 C ATOM 896 O TYR A 119 4.932 0.047 9.767 1.00 5.46 O ATOM 897 CB TYR A 119 3.081 -2.530 11.362 1.00 5.60 C ATOM 898 CG TYR A 119 2.724 -2.969 12.771 1.00 4.87 C ATOM 899 CD1 TYR A 119 3.325 -4.088 13.345 1.00 3.13 C ATOM 900 CD2 TYR A 119 1.835 -2.224 13.552 1.00 5.68 C ATOM 901 CE1 TYR A 119 3.032 -4.478 14.653 1.00 3.29 C ATOM 902 CE2 TYR A 119 1.538 -2.602 14.882 1.00 5.47 C ATOM 903 CZ TYR A 119 2.139 -3.737 15.415 1.00 3.71 C ATOM 904 OH TYR A 119 1.863 -4.126 16.701 1.00 3.78 O ATOM 905 HH TYR A 119 2.123 -3.404 17.326 1.00 0.00 H ATOM 906 H TYR A 119 3.940 0.325 11.962 1.00 0.00 H ATOM 907 N ASP A 120 4.460 -1.972 8.888 1.00 5.45 N ATOM 908 CA ASP A 120 4.394 -1.465 7.523 1.00 4.81 C ATOM 909 C ASP A 120 2.970 -0.997 7.236 1.00 5.13 C ATOM 910 O ASP A 120 2.130 -0.916 8.150 1.00 5.13 O ATOM 911 CB ASP A 120 4.823 -2.530 6.525 1.00 4.60 C ATOM 912 CG ASP A 120 6.287 -2.917 6.661 1.00 5.50 C ATOM 913 OD1 ASP A 120 7.135 -2.095 7.079 1.00 5.66 O ATOM 914 OD2 ASP A 120 6.600 -4.069 6.316 1.00 7.52 O ATOM 915 H ASP A 120 4.386 -2.994 9.063 1.00 0.00 H ATOM 916 N THR A 121 2.682 -0.657 5.982 1.00 5.34 N ATOM 917 CA THR A 121 1.302 -0.366 5.629 1.00 5.60 C ATOM 918 C THR A 121 0.896 -1.067 4.337 1.00 6.25 C ATOM 919 O THR A 121 1.769 -1.407 3.511 1.00 6.96 O ATOM 920 CB THR A 121 1.011 1.159 5.579 1.00 5.37 C ATOM 921 OG1 THR A 121 -0.394 1.382 5.767 1.00 5.62 O ATOM 922 CG2 THR A 121 1.467 1.779 4.261 1.00 4.84 C ATOM 923 HG1 THR A 121 -0.899 0.925 5.048 1.00 0.00 H ATOM 924 H THR A 121 3.433 -0.600 5.265 1.00 0.00 H ATOM 925 N TYR A 122 -0.410 -1.327 4.206 1.00 6.00 N ATOM 926 CA TYR A 122 -1.035 -1.641 2.923 1.00 6.03 C ATOM 927 C TYR A 122 -1.807 -0.418 2.475 1.00 6.20 C ATOM 928 O TYR A 122 -2.333 0.323 3.309 1.00 5.97 O ATOM 929 CB TYR A 122 -1.991 -2.845 3.031 1.00 5.55 C ATOM 930 CG TYR A 122 -1.269 -4.066 3.461 1.00 5.65 C ATOM 931 CD1 TYR A 122 -0.658 -4.907 2.525 1.00 5.98 C ATOM 932 CD2 TYR A 122 -1.134 -4.367 4.812 1.00 5.62 C ATOM 933 CE1 TYR A 122 0.061 -6.028 2.933 1.00 5.04 C ATOM 934 CE2 TYR A 122 -0.437 -5.488 5.223 1.00 6.12 C ATOM 935 CZ TYR A 122 0.165 -6.304 4.280 1.00 5.31 C ATOM 936 OH TYR A 122 0.876 -7.389 4.700 1.00 7.85 O ATOM 937 HH TYR A 122 1.241 -7.867 3.914 1.00 0.00 H ATOM 938 H TYR A 122 -1.008 -1.305 5.057 1.00 0.00 H ATOM 939 N CYS A 123 -1.874 -0.228 1.161 1.00 6.09 N ATOM 940 CA CYS A 123 -2.641 0.854 0.563 1.00 6.46 C ATOM 941 C CYS A 123 -3.531 0.303 -0.551 1.00 6.38 C ATOM 942 O CYS A 123 -3.189 -0.711 -1.179 1.00 6.56 O ATOM 943 CB CYS A 123 -1.697 1.952 0.019 1.00 6.73 C ATOM 944 SG CYS A 123 -0.767 2.876 1.286 1.00 6.12 S ATOM 945 H CYS A 123 -1.357 -0.879 0.535 1.00 0.00 H ATOM 946 N PHE A 124 -4.654 0.973 -0.805 1.00 6.09 N ATOM 947 CA PHE A 124 -5.564 0.544 -1.868 1.00 6.53 C ATOM 948 C PHE A 124 -5.800 1.593 -2.947 1.00 7.15 C ATOM 949 O PHE A 124 -6.284 2.684 -2.663 1.00 7.20 O ATOM 950 CB PHE A 124 -6.903 0.083 -1.280 1.00 6.23 C ATOM 951 CG PHE A 124 -7.984 -0.122 -2.305 1.00 5.05 C ATOM 952 CD1 PHE A 124 -7.900 -1.161 -3.234 1.00 3.93 C ATOM 953 CD2 PHE A 124 -9.089 0.719 -2.342 1.00 4.64 C ATOM 954 CE1 PHE A 124 -8.886 -1.361 -4.174 1.00 2.00 C ATOM 955 CE2 PHE A 124 -10.099 0.525 -3.289 1.00 3.95 C ATOM 956 CZ PHE A 124 -9.992 -0.519 -4.204 1.00 3.44 C ATOM 957 H PHE A 124 -4.888 1.814 -0.239 1.00 0.00 H ATOM 958 N ASN A 125 -5.470 1.245 -4.189 1.00 8.14 N ATOM 959 CA ASN A 125 -5.715 2.119 -5.343 1.00 9.22 C ATOM 960 C ASN A 125 -6.854 1.565 -6.204 1.00 9.61 C ATOM 961 O ASN A 125 -6.720 0.515 -6.842 1.00 10.20 O ATOM 962 CB ASN A 125 -4.440 2.273 -6.171 1.00 9.24 C ATOM 963 CG ASN A 125 -4.578 3.298 -7.286 1.00 10.35 C ATOM 964 OD1 ASN A 125 -5.434 4.179 -7.251 1.00 12.05 O ATOM 965 ND2 ASN A 125 -3.718 3.189 -8.282 1.00 11.07 N ATOM 966 HD22 ASN A 125 -3.008 2.429 -8.275 1.00 0.00 H ATOM 967 HD21 ASN A 125 -3.751 3.863 -9.073 1.00 0.00 H ATOM 968 H ASN A 125 -5.022 0.320 -4.348 1.00 0.00 H ATOM 969 N ALA A 126 -7.973 2.276 -6.214 1.00 9.85 N ATOM 970 CA ALA A 126 -9.180 1.823 -6.888 1.00 10.15 C ATOM 971 C ALA A 126 -9.026 1.826 -8.409 1.00 10.78 C ATOM 972 O ALA A 126 -9.767 1.133 -9.111 1.00 11.13 O ATOM 973 CB ALA A 126 -10.362 2.669 -6.463 1.00 9.67 C ATOM 974 H ALA A 126 -7.988 3.192 -5.722 1.00 0.00 H ATOM 975 N SER A 127 -8.053 2.590 -8.905 1.00 10.93 N ATOM 976 CA SER A 127 -7.840 2.765 -10.345 1.00 11.21 C ATOM 977 C SER A 127 -6.920 1.722 -10.933 1.00 11.20 C ATOM 978 O SER A 127 -6.626 1.754 -12.130 1.00 11.86 O ATOM 979 CB SER A 127 -7.239 4.139 -10.623 1.00 11.25 C ATOM 980 OG SER A 127 -8.148 5.149 -10.224 1.00 12.73 O ATOM 981 HG SER A 127 -7.753 6.038 -10.407 1.00 0.00 H ATOM 982 H SER A 127 -7.419 3.082 -8.244 1.00 0.00 H ATOM 983 N ALA A 128 -6.442 0.808 -10.103 1.00 10.84 N ATOM 984 CA ALA A 128 -5.475 -0.166 -10.570 1.00 10.68 C ATOM 985 C ALA A 128 -6.190 -1.228 -11.401 1.00 10.58 C ATOM 986 O ALA A 128 -7.411 -1.308 -11.367 1.00 10.67 O ATOM 987 CB ALA A 128 -4.735 -0.783 -9.390 1.00 10.77 C ATOM 988 H ALA A 128 -6.761 0.789 -9.113 1.00 0.00 H ATOM 989 N PRO A 129 -5.436 -2.034 -12.176 1.00 10.81 N ATOM 990 CA PRO A 129 -6.086 -3.174 -12.830 1.00 10.40 C ATOM 991 C PRO A 129 -6.677 -4.122 -11.777 1.00 10.24 C ATOM 992 O PRO A 129 -6.311 -4.010 -10.609 1.00 9.82 O ATOM 993 CB PRO A 129 -4.934 -3.831 -13.599 1.00 10.59 C ATOM 994 CG PRO A 129 -3.975 -2.675 -13.853 1.00 10.47 C ATOM 995 CD PRO A 129 -4.010 -1.930 -12.558 1.00 10.45 C ATOM 996 N PRO A 130 -7.616 -5.014 -12.180 1.00 10.39 N ATOM 997 CA PRO A 130 -8.310 -5.840 -11.212 1.00 10.44 C ATOM 998 C PRO A 130 -7.484 -6.998 -10.654 1.00 11.39 C ATOM 999 O PRO A 130 -7.819 -7.529 -9.592 1.00 11.90 O ATOM 1000 CB PRO A 130 -9.509 -6.367 -12.002 1.00 10.39 C ATOM 1001 CG PRO A 130 -9.088 -6.346 -13.419 1.00 10.44 C ATOM 1002 CD PRO A 130 -8.180 -5.171 -13.540 1.00 10.32 C ATOM 1003 N GLU A 131 -6.427 -7.395 -11.352 1.00 12.15 N ATOM 1004 CA GLU A 131 -5.630 -8.545 -10.924 1.00 13.20 C ATOM 1005 C GLU A 131 -4.241 -8.121 -10.438 1.00 13.31 C ATOM 1006 O GLU A 131 -4.110 -7.146 -9.683 1.00 13.45 O ATOM 1007 CB GLU A 131 -5.540 -9.583 -12.057 1.00 13.82 C ATOM 1008 CG GLU A 131 -6.882 -10.218 -12.443 1.00 15.53 C ATOM 1009 CD GLU A 131 -7.419 -11.176 -11.379 1.00 18.24 C ATOM 1010 OE1 GLU A 131 -6.599 -11.803 -10.651 1.00 18.05 O ATOM 1011 OE2 GLU A 131 -8.666 -11.325 -11.292 1.00 18.53 O ATOM 1012 H GLU A 131 -6.161 -6.881 -12.216 1.00 0.00 H ATOM 1013 N GLU A 132 -3.211 -8.850 -10.868 1.00 13.26 N ATOM 1014 CA GLU A 132 -1.841 -8.534 -10.496 1.00 13.29 C ATOM 1015 C GLU A 132 -1.338 -7.454 -11.427 1.00 12.62 C ATOM 1016 O GLU A 132 -1.369 -7.636 -12.629 1.00 12.50 O ATOM 1017 CB GLU A 132 -0.943 -9.774 -10.564 1.00 13.35 C ATOM 1018 CG GLU A 132 0.454 -9.555 -10.001 1.00 15.83 C ATOM 1019 CD GLU A 132 1.383 -10.766 -10.195 1.00 20.73 C ATOM 1020 OE1 GLU A 132 1.899 -11.284 -9.166 1.00 20.35 O ATOM 1021 OE2 GLU A 132 1.604 -11.182 -11.368 1.00 19.90 O ATOM 1022 H GLU A 132 -3.392 -9.667 -11.486 1.00 0.00 H ATOM 1023 N ASP A 133 -0.941 -6.312 -10.868 1.00 12.39 N ATOM 1024 CA ASP A 133 -0.250 -5.267 -11.623 1.00 12.19 C ATOM 1025 C ASP A 133 1.142 -5.155 -11.044 1.00 12.13 C ATOM 1026 O ASP A 133 1.332 -4.552 -9.987 1.00 12.10 O ATOM 1027 CB ASP A 133 -0.979 -3.917 -11.538 1.00 12.09 C ATOM 1028 CG ASP A 133 -0.273 -2.785 -12.341 1.00 13.02 C ATOM 1029 OD1 ASP A 133 0.692 -3.034 -13.108 1.00 12.90 O ATOM 1030 OD2 ASP A 133 -0.703 -1.620 -12.208 1.00 13.33 O ATOM 1031 H ASP A 133 -1.129 -6.158 -9.857 1.00 0.00 H ATOM 1032 N CYS A 134 2.097 -5.765 -11.745 1.00 12.27 N ATOM 1033 CA CYS A 134 3.496 -5.814 -11.343 1.00 12.29 C ATOM 1034 C CYS A 134 4.308 -4.824 -12.137 1.00 12.24 C ATOM 1035 O CYS A 134 5.529 -4.775 -11.991 1.00 12.60 O ATOM 1036 CB CYS A 134 4.090 -7.219 -11.508 1.00 12.44 C ATOM 1037 SG CYS A 134 3.899 -8.333 -10.055 1.00 14.09 S ATOM 1038 H CYS A 134 1.827 -6.234 -12.633 1.00 0.00 H ATOM 1039 N THR A 135 3.642 -4.016 -12.961 1.00 12.07 N ATOM 1040 CA THR A 135 4.318 -2.883 -13.606 1.00 12.08 C ATOM 1041 C THR A 135 4.870 -1.916 -12.536 1.00 12.88 C ATOM 1042 O THR A 135 4.507 -2.005 -11.352 1.00 13.03 O ATOM 1043 CB THR A 135 3.425 -2.157 -14.680 1.00 12.17 C ATOM 1044 OG1 THR A 135 2.460 -1.308 -14.047 1.00 10.35 O ATOM 1045 CG2 THR A 135 2.733 -3.179 -15.618 1.00 10.84 C ATOM 1046 HG1 THR A 135 1.877 -1.853 -13.461 1.00 0.00 H ATOM 1047 H THR A 135 2.634 -4.189 -13.149 1.00 0.00 H ATOM 1048 N SER A 136 5.771 -1.014 -12.919 1.00 13.70 N ATOM 1049 CA SER A 136 6.424 -0.185 -11.904 1.00 14.30 C ATOM 1050 C SER A 136 5.632 1.067 -11.562 1.00 14.61 C ATOM 1051 O SER A 136 5.077 1.710 -12.440 1.00 14.69 O ATOM 1052 CB SER A 136 7.895 0.102 -12.243 1.00 14.05 C ATOM 1053 OG SER A 136 8.071 0.692 -13.509 1.00 14.39 O ATOM 1054 HG SER A 136 9.035 0.851 -13.667 1.00 0.00 H ATOM 1055 H SER A 136 6.008 -0.900 -13.925 1.00 0.00 H ATOM 1056 N VAL A 137 5.549 1.366 -10.268 1.00 15.37 N ATOM 1057 CA VAL A 137 4.993 2.638 -9.771 1.00 16.14 C ATOM 1058 C VAL A 137 6.017 3.773 -9.989 1.00 16.51 C ATOM 1059 O VAL A 137 7.153 3.702 -9.476 1.00 16.34 O ATOM 1060 CB VAL A 137 4.586 2.556 -8.250 1.00 16.08 C ATOM 1061 CG1 VAL A 137 3.805 3.788 -7.811 1.00 15.49 C ATOM 1062 CG2 VAL A 137 3.752 1.305 -7.975 1.00 16.76 C ATOM 1063 H VAL A 137 5.892 0.670 -9.575 1.00 0.00 H ATOM 1064 N THR A 138 5.614 4.805 -10.740 1.00 16.71 N ATOM 1065 CA THR A 138 6.526 5.890 -11.098 1.00 17.44 C ATOM 1066 C THR A 138 6.154 7.311 -10.613 1.00 18.02 C ATOM 1067 O THR A 138 6.653 8.291 -11.167 1.00 18.47 O ATOM 1068 CB THR A 138 6.825 5.911 -12.632 1.00 17.50 C ATOM 1069 OG1 THR A 138 5.608 6.057 -13.364 1.00 16.68 O ATOM 1070 CG2 THR A 138 7.547 4.636 -13.078 1.00 18.24 C ATOM 1071 HG1 THR A 138 5.807 6.069 -14.334 1.00 0.00 H ATOM 1072 H THR A 138 4.630 4.836 -11.076 1.00 0.00 H ATOM 1073 N ASP A 139 5.299 7.426 -9.592 1.00 18.33 N ATOM 1074 CA ASP A 139 4.953 8.733 -8.982 1.00 18.57 C ATOM 1075 C ASP A 139 4.185 8.589 -7.670 1.00 17.91 C ATOM 1076 O ASP A 139 3.416 7.645 -7.482 1.00 18.25 O ATOM 1077 CB ASP A 139 4.171 9.662 -9.949 1.00 19.24 C ATOM 1078 CG ASP A 139 3.987 11.141 -9.394 1.00 21.17 C ATOM 1079 OD1 ASP A 139 4.747 11.622 -8.492 1.00 19.13 O ATOM 1080 OD2 ASP A 139 3.058 11.827 -9.900 1.00 22.54 O ATOM 1081 H ASP A 139 4.859 6.565 -9.210 1.00 0.00 H ATOM 1082 N LEU A 140 4.432 9.542 -6.775 1.00 16.93 N ATOM 1083 CA LEU A 140 3.704 9.719 -5.542 1.00 15.87 C ATOM 1084 C LEU A 140 2.769 10.887 -5.818 1.00 15.94 C ATOM 1085 O LEU A 140 3.063 12.026 -5.442 1.00 15.51 O ATOM 1086 CB LEU A 140 4.692 10.075 -4.451 1.00 15.27 C ATOM 1087 CG LEU A 140 4.280 9.833 -3.012 1.00 15.14 C ATOM 1088 CD1 LEU A 140 3.972 8.369 -2.745 1.00 13.42 C ATOM 1089 CD2 LEU A 140 5.386 10.314 -2.115 1.00 15.43 C ATOM 1090 H LEU A 140 5.205 10.207 -6.979 1.00 0.00 H ATOM 1091 N PRO A 141 1.633 10.608 -6.493 1.00 15.96 N ATOM 1092 CA PRO A 141 0.910 11.674 -7.215 1.00 16.03 C ATOM 1093 C PRO A 141 0.383 12.802 -6.322 1.00 16.09 C ATOM 1094 O PRO A 141 0.205 13.942 -6.781 1.00 15.51 O ATOM 1095 CB PRO A 141 -0.251 10.925 -7.890 1.00 15.93 C ATOM 1096 CG PRO A 141 -0.421 9.678 -7.106 1.00 15.52 C ATOM 1097 CD PRO A 141 0.910 9.322 -6.529 1.00 15.51 C ATOM 1098 N ASN A 142 0.154 12.472 -5.056 1.00 15.93 N ATOM 1099 CA ASN A 142 -0.577 13.336 -4.165 1.00 16.11 C ATOM 1100 C ASN A 142 0.269 13.840 -2.992 1.00 16.12 C ATOM 1101 O ASN A 142 -0.271 14.305 -1.986 1.00 16.30 O ATOM 1102 CB ASN A 142 -1.812 12.589 -3.672 1.00 16.49 C ATOM 1103 CG ASN A 142 -2.996 13.507 -3.420 1.00 18.29 C ATOM 1104 OD1 ASN A 142 -3.320 14.361 -4.253 1.00 19.73 O ATOM 1105 ND2 ASN A 142 -3.657 13.332 -2.263 1.00 17.23 N ATOM 1106 HD22 ASN A 142 -3.347 12.600 -1.593 1.00 0.00 H ATOM 1107 HD21 ASN A 142 -4.479 13.929 -2.038 1.00 0.00 H ATOM 1108 H ASN A 142 0.513 11.564 -4.698 1.00 0.00 H ATOM 1109 N SER A 143 1.594 13.729 -3.110 1.00 15.92 N ATOM 1110 CA SER A 143 2.495 14.292 -2.111 1.00 15.99 C ATOM 1111 C SER A 143 2.520 15.820 -2.252 1.00 16.22 C ATOM 1112 O SER A 143 2.245 16.360 -3.333 1.00 16.14 O ATOM 1113 CB SER A 143 3.902 13.723 -2.273 1.00 16.07 C ATOM 1114 OG SER A 143 4.569 14.286 -3.392 1.00 15.55 O ATOM 1115 HG SER A 143 4.055 14.088 -4.215 1.00 0.00 H ATOM 1116 H SER A 143 1.992 13.231 -3.931 1.00 0.00 H ATOM 1117 N PHE A 144 2.840 16.512 -1.166 1.00 16.25 N ATOM 1118 CA PHE A 144 2.823 17.971 -1.174 1.00 16.61 C ATOM 1119 C PHE A 144 4.198 18.600 -0.954 1.00 16.67 C ATOM 1120 O PHE A 144 5.177 17.889 -0.720 1.00 17.15 O ATOM 1121 CB PHE A 144 1.769 18.536 -0.208 1.00 16.83 C ATOM 1122 CG PHE A 144 1.790 17.934 1.178 1.00 18.07 C ATOM 1123 CD1 PHE A 144 2.651 18.436 2.166 1.00 19.47 C ATOM 1124 CD2 PHE A 144 0.917 16.900 1.509 1.00 17.80 C ATOM 1125 CE1 PHE A 144 2.657 17.901 3.458 1.00 18.70 C ATOM 1126 CE2 PHE A 144 0.918 16.355 2.776 1.00 19.00 C ATOM 1127 CZ PHE A 144 1.792 16.862 3.765 1.00 19.76 C ATOM 1128 H PHE A 144 3.107 16.007 -0.297 1.00 0.00 H ATOM 1129 N ASP A 145 4.269 19.926 -1.069 1.00 16.48 N ATOM 1130 CA ASP A 145 5.514 20.659 -0.868 1.00 16.20 C ATOM 1131 C ASP A 145 6.208 20.266 0.445 1.00 15.97 C ATOM 1132 O ASP A 145 5.575 20.211 1.523 1.00 15.85 O ATOM 1133 CB ASP A 145 5.278 22.176 -0.923 1.00 16.07 C ATOM 1134 CG ASP A 145 6.590 22.981 -1.035 1.00 16.89 C ATOM 1135 OD1 ASP A 145 7.158 23.070 -2.162 1.00 15.51 O ATOM 1136 OD2 ASP A 145 7.041 23.530 0.005 1.00 16.29 O ATOM 1137 H ASP A 145 3.407 20.456 -1.310 1.00 0.00 H ATOM 1138 N GLY A 146 7.504 19.977 0.335 1.00 15.49 N ATOM 1139 CA GLY A 146 8.328 19.667 1.493 1.00 15.21 C ATOM 1140 C GLY A 146 9.772 19.444 1.107 1.00 14.97 C ATOM 1141 O GLY A 146 10.093 19.498 -0.075 1.00 14.67 O ATOM 1142 H GLY A 146 7.940 19.973 -0.609 1.00 0.00 H ATOM 1143 N PRO A 147 10.651 19.170 2.105 1.00 15.10 N ATOM 1144 CA PRO A 147 12.107 19.133 1.875 1.00 14.61 C ATOM 1145 C PRO A 147 12.702 17.734 1.657 1.00 14.23 C ATOM 1146 O PRO A 147 13.881 17.625 1.305 1.00 14.64 O ATOM 1147 CB PRO A 147 12.670 19.724 3.182 1.00 14.70 C ATOM 1148 CG PRO A 147 11.547 19.485 4.264 1.00 14.48 C ATOM 1149 CD PRO A 147 10.325 18.953 3.538 1.00 14.81 C ATOM 1150 N VAL A 148 11.905 16.688 1.885 1.00 13.50 N ATOM 1151 CA VAL A 148 12.383 15.305 1.862 1.00 12.56 C ATOM 1152 C VAL A 148 12.567 14.813 0.424 1.00 12.46 C ATOM 1153 O VAL A 148 11.719 15.091 -0.451 1.00 12.11 O ATOM 1154 CB VAL A 148 11.406 14.339 2.604 1.00 12.82 C ATOM 1155 CG1 VAL A 148 12.094 13.000 2.925 1.00 12.67 C ATOM 1156 CG2 VAL A 148 10.843 14.973 3.870 1.00 11.77 C ATOM 1157 H VAL A 148 10.900 16.863 2.088 1.00 0.00 H ATOM 1158 N THR A 149 13.681 14.105 0.180 1.00 12.04 N ATOM 1159 CA THR A 149 13.850 13.334 -1.057 1.00 11.53 C ATOM 1160 C THR A 149 13.092 12.043 -0.818 1.00 11.30 C ATOM 1161 O THR A 149 13.490 11.233 0.037 1.00 11.55 O ATOM 1162 CB THR A 149 15.336 13.000 -1.386 1.00 11.78 C ATOM 1163 OG1 THR A 149 16.087 14.206 -1.603 1.00 12.49 O ATOM 1164 CG2 THR A 149 15.447 12.121 -2.640 1.00 10.21 C ATOM 1165 HG1 THR A 149 17.027 13.975 -1.810 1.00 0.00 H ATOM 1166 H THR A 149 14.444 14.103 0.886 1.00 0.00 H ATOM 1167 N ILE A 150 11.978 11.876 -1.531 1.00 10.67 N ATOM 1168 CA ILE A 150 11.167 10.670 -1.393 1.00 10.02 C ATOM 1169 C ILE A 150 11.417 9.794 -2.606 1.00 9.62 C ATOM 1170 O ILE A 150 11.121 10.195 -3.720 1.00 9.88 O ATOM 1171 CB ILE A 150 9.642 10.970 -1.228 1.00 9.83 C ATOM 1172 CG1 ILE A 150 9.364 11.898 -0.053 1.00 8.65 C ATOM 1173 CG2 ILE A 150 8.860 9.695 -1.006 1.00 9.61 C ATOM 1174 CD1 ILE A 150 8.077 12.649 -0.211 1.00 6.29 C ATOM 1175 H ILE A 150 11.682 12.618 -2.197 1.00 0.00 H ATOM 1176 N THR A 151 11.964 8.602 -2.385 1.00 9.21 N ATOM 1177 CA THR A 151 12.247 7.675 -3.476 1.00 8.82 C ATOM 1178 C THR A 151 11.280 6.502 -3.391 1.00 9.26 C ATOM 1179 O THR A 151 11.180 5.858 -2.349 1.00 9.98 O ATOM 1180 CB THR A 151 13.711 7.134 -3.424 1.00 8.39 C ATOM 1181 OG1 THR A 151 14.642 8.220 -3.394 1.00 7.23 O ATOM 1182 CG2 THR A 151 14.023 6.263 -4.630 1.00 8.17 C ATOM 1183 HG1 THR A 151 14.530 8.772 -4.208 1.00 0.00 H ATOM 1184 H THR A 151 12.196 8.324 -1.410 1.00 0.00 H ATOM 1185 N ILE A 152 10.564 6.233 -4.480 1.00 9.31 N ATOM 1186 CA ILE A 152 9.746 5.024 -4.596 1.00 8.85 C ATOM 1187 C ILE A 152 10.604 3.937 -5.218 1.00 9.01 C ATOM 1188 O ILE A 152 11.225 4.138 -6.277 1.00 8.20 O ATOM 1189 CB ILE A 152 8.481 5.254 -5.444 1.00 9.13 C ATOM 1190 CG1 ILE A 152 7.465 6.104 -4.666 1.00 9.93 C ATOM 1191 CG2 ILE A 152 7.864 3.924 -5.879 1.00 7.24 C ATOM 1192 CD1 ILE A 152 6.508 6.901 -5.572 1.00 11.47 C ATOM 1193 H ILE A 152 10.586 6.903 -5.275 1.00 0.00 H ATOM 1194 N VAL A 153 10.639 2.789 -4.538 1.00 9.25 N ATOM 1195 CA VAL A 153 11.498 1.669 -4.930 1.00 9.12 C ATOM 1196 C VAL A 153 10.657 0.439 -5.306 1.00 9.69 C ATOM 1197 O VAL A 153 10.036 -0.177 -4.440 1.00 9.81 O ATOM 1198 CB VAL A 153 12.548 1.307 -3.805 1.00 8.84 C ATOM 1199 CG1 VAL A 153 13.481 0.201 -4.279 1.00 7.66 C ATOM 1200 CG2 VAL A 153 13.358 2.545 -3.363 1.00 7.47 C ATOM 1201 H VAL A 153 10.034 2.686 -3.699 1.00 0.00 H ATOM 1202 N ASN A 154 10.631 0.095 -6.592 1.00 10.22 N ATOM 1203 CA ASN A 154 10.003 -1.152 -7.041 1.00 11.22 C ATOM 1204 C ASN A 154 10.876 -2.374 -6.772 1.00 11.87 C ATOM 1205 O ASN A 154 12.081 -2.245 -6.563 1.00 11.83 O ATOM 1206 CB ASN A 154 9.611 -1.066 -8.524 1.00 11.21 C ATOM 1207 CG ASN A 154 8.610 0.053 -8.790 1.00 11.99 C ATOM 1208 OD1 ASN A 154 7.391 -0.125 -8.655 1.00 10.15 O ATOM 1209 ND2 ASN A 154 9.129 1.225 -9.157 1.00 12.16 N ATOM 1210 HD22 ASN A 154 10.159 1.329 -9.258 1.00 0.00 H ATOM 1211 HD21 ASN A 154 8.504 2.035 -9.342 1.00 0.00 H ATOM 1212 H ASN A 154 11.066 0.726 -7.295 1.00 0.00 H ATOM 1213 N ARG A 155 10.255 -3.557 -6.768 1.00 13.21 N ATOM 1214 CA ARG A 155 10.953 -4.829 -6.519 1.00 13.90 C ATOM 1215 C ARG A 155 11.985 -5.172 -7.616 1.00 13.76 C ATOM 1216 O ARG A 155 13.045 -5.761 -7.327 1.00 14.07 O ATOM 1217 CB ARG A 155 9.948 -5.969 -6.338 1.00 14.66 C ATOM 1218 CG ARG A 155 10.287 -6.872 -5.169 1.00 17.96 C ATOM 1219 CD ARG A 155 9.922 -8.338 -5.424 1.00 24.26 C ATOM 1220 NE ARG A 155 10.465 -9.187 -4.348 1.00 29.56 N ATOM 1221 CZ ARG A 155 10.029 -10.410 -4.029 1.00 31.82 C ATOM 1222 NH1 ARG A 155 9.017 -10.975 -4.694 1.00 33.34 N ATOM 1223 NH2 ARG A 155 10.604 -11.073 -3.031 1.00 31.70 N ATOM 1224 HE ARG A 155 11.254 -8.802 -3.790 1.00 0.00 H ATOM 1225 HH12 ARG A 155 8.690 -11.927 -4.433 1.00 0.00 H ATOM 1226 HH11 ARG A 155 8.556 -10.463 -5.473 1.00 0.00 H ATOM 1227 HH22 ARG A 155 10.269 -12.025 -2.778 1.00 0.00 H ATOM 1228 HH21 ARG A 155 11.389 -10.640 -2.503 1.00 0.00 H ATOM 1229 H ARG A 155 9.231 -3.580 -6.949 1.00 0.00 H ATOM 1230 N ASP A 156 11.688 -4.789 -8.862 1.00 12.99 N ATOM 1231 CA ASP A 156 12.639 -4.947 -9.953 1.00 12.56 C ATOM 1232 C ASP A 156 13.731 -3.849 -9.924 1.00 12.59 C ATOM 1233 O ASP A 156 14.525 -3.699 -10.870 1.00 12.35 O ATOM 1234 CB ASP A 156 11.911 -4.943 -11.292 1.00 12.35 C ATOM 1235 CG ASP A 156 11.351 -3.598 -11.630 1.00 12.22 C ATOM 1236 OD1 ASP A 156 11.664 -2.633 -10.899 1.00 12.49 O ATOM 1237 OD2 ASP A 156 10.599 -3.494 -12.624 1.00 12.01 O ATOM 1238 H ASP A 156 10.757 -4.369 -9.056 1.00 0.00 H ATOM 1239 N GLY A 157 13.755 -3.079 -8.842 1.00 12.35 N ATOM 1240 CA GLY A 157 14.799 -2.084 -8.628 1.00 12.23 C ATOM 1241 C GLY A 157 14.576 -0.717 -9.249 1.00 12.18 C ATOM 1242 O GLY A 157 15.337 0.201 -8.975 1.00 12.26 O ATOM 1243 H GLY A 157 13.008 -3.189 -8.127 1.00 0.00 H ATOM 1244 N THR A 158 13.543 -0.569 -10.075 1.00 12.54 N ATOM 1245 CA THR A 158 13.310 0.695 -10.791 1.00 12.89 C ATOM 1246 C THR A 158 12.798 1.767 -9.832 1.00 13.71 C ATOM 1247 O THR A 158 11.921 1.501 -9.005 1.00 13.31 O ATOM 1248 CB THR A 158 12.342 0.525 -11.989 1.00 12.54 C ATOM 1249 OG1 THR A 158 11.138 -0.102 -11.545 1.00 12.28 O ATOM 1250 CG2 THR A 158 12.964 -0.330 -13.078 1.00 11.62 C ATOM 1251 HG1 THR A 158 11.351 -0.991 -11.164 1.00 0.00 H ATOM 1252 H THR A 158 12.887 -1.363 -10.217 1.00 0.00 H ATOM 1253 N ARG A 159 13.356 2.972 -9.962 1.00 14.98 N ATOM 1254 CA ARG A 159 13.156 4.071 -9.002 1.00 16.33 C ATOM 1255 C ARG A 159 12.563 5.359 -9.566 1.00 17.23 C ATOM 1256 O ARG A 159 12.789 5.732 -10.720 1.00 16.99 O ATOM 1257 CB ARG A 159 14.477 4.423 -8.321 1.00 16.22 C ATOM 1258 CG ARG A 159 14.850 3.447 -7.246 1.00 17.04 C ATOM 1259 CD ARG A 159 16.362 3.402 -7.017 1.00 17.72 C ATOM 1260 NE ARG A 159 16.658 2.359 -6.041 1.00 17.04 N ATOM 1261 CZ ARG A 159 16.737 2.594 -4.742 1.00 16.97 C ATOM 1262 NH1 ARG A 159 16.598 3.839 -4.287 1.00 16.38 N ATOM 1263 NH2 ARG A 159 16.982 1.597 -3.906 1.00 16.74 N ATOM 1264 HE ARG A 159 16.814 1.389 -6.381 1.00 0.00 H ATOM 1265 HH12 ARG A 159 16.659 4.030 -3.266 1.00 0.00 H ATOM 1266 HH11 ARG A 159 16.428 4.620 -4.953 1.00 0.00 H ATOM 1267 HH22 ARG A 159 17.045 1.779 -2.884 1.00 0.00 H ATOM 1268 HH21 ARG A 159 17.112 0.632 -4.271 1.00 0.00 H ATOM 1269 H ARG A 159 13.966 3.145 -10.787 1.00 0.00 H ATOM 1270 N TYR A 160 11.811 6.045 -8.713 1.00 18.61 N ATOM 1271 CA TYR A 160 11.296 7.365 -9.023 1.00 19.48 C ATOM 1272 C TYR A 160 11.448 8.253 -7.783 1.00 19.23 C ATOM 1273 O TYR A 160 10.992 7.888 -6.705 1.00 19.22 O ATOM 1274 CB TYR A 160 9.842 7.287 -9.502 1.00 19.87 C ATOM 1275 CG TYR A 160 9.135 8.622 -9.388 1.00 23.32 C ATOM 1276 CD1 TYR A 160 9.195 9.562 -10.429 1.00 25.26 C ATOM 1277 CD2 TYR A 160 8.448 8.969 -8.215 1.00 25.15 C ATOM 1278 CE1 TYR A 160 8.566 10.804 -10.308 1.00 27.17 C ATOM 1279 CE2 TYR A 160 7.827 10.200 -8.081 1.00 27.61 C ATOM 1280 CZ TYR A 160 7.883 11.119 -9.133 1.00 28.99 C ATOM 1281 OH TYR A 160 7.269 12.353 -9.022 1.00 30.30 O ATOM 1282 HH TYR A 160 6.299 12.225 -8.873 1.00 0.00 H ATOM 1283 H TYR A 160 11.584 5.621 -7.791 1.00 0.00 H ATOM 1284 N SER A 161 12.092 9.410 -7.946 1.00 19.16 N ATOM 1285 CA SER A 161 12.357 10.324 -6.825 1.00 19.38 C ATOM 1286 C SER A 161 11.652 11.674 -6.923 1.00 18.94 C ATOM 1287 O SER A 161 11.414 12.181 -8.016 1.00 19.46 O ATOM 1288 CB SER A 161 13.857 10.565 -6.696 1.00 19.56 C ATOM 1289 OG SER A 161 14.497 9.417 -6.158 1.00 21.78 O ATOM 1290 HG SER A 161 14.123 9.221 -5.263 1.00 0.00 H ATOM 1291 H SER A 161 12.417 9.674 -8.898 1.00 0.00 H ATOM 1292 N LYS A 162 11.314 12.258 -5.779 1.00 18.11 N ATOM 1293 CA LYS A 162 10.843 13.635 -5.752 1.00 17.57 C ATOM 1294 C LYS A 162 11.043 14.246 -4.383 1.00 17.68 C ATOM 1295 O LYS A 162 11.018 13.557 -3.367 1.00 17.28 O ATOM 1296 CB LYS A 162 9.376 13.765 -6.197 1.00 17.38 C ATOM 1297 CG LYS A 162 8.338 13.369 -5.157 1.00 16.26 C ATOM 1298 CD LYS A 162 6.990 13.137 -5.804 1.00 16.55 C ATOM 1299 CE LYS A 162 6.266 14.432 -6.158 1.00 16.29 C ATOM 1300 NZ LYS A 162 4.974 14.177 -6.871 1.00 15.74 N ATOM 1301 HZ1 LYS A 162 5.162 13.659 -7.753 1.00 0.00 H ATOM 1302 HZ2 LYS A 162 4.349 13.611 -6.262 1.00 0.00 H ATOM 1303 HZ3 LYS A 162 4.516 15.084 -7.092 1.00 0.00 H ATOM 1304 H LYS A 162 11.387 11.724 -4.890 1.00 0.00 H ATOM 1305 N LYS A 163 11.265 15.555 -4.401 1.00 18.04 N ATOM 1306 CA LYS A 163 11.398 16.384 -3.216 1.00 18.24 C ATOM 1307 C LYS A 163 9.979 16.756 -2.819 1.00 17.69 C ATOM 1308 O LYS A 163 9.199 17.262 -3.637 1.00 17.28 O ATOM 1309 CB LYS A 163 12.243 17.641 -3.540 1.00 18.35 C ATOM 1310 CG LYS A 163 12.857 18.348 -2.318 1.00 20.45 C ATOM 1311 CD LYS A 163 13.622 19.666 -2.650 1.00 23.63 C ATOM 1312 CE LYS A 163 12.718 20.788 -3.256 1.00 25.03 C ATOM 1313 NZ LYS A 163 11.846 21.484 -2.245 1.00 24.25 N ATOM 1314 HZ1 LYS A 163 11.215 20.789 -1.796 1.00 0.00 H ATOM 1315 HZ2 LYS A 163 12.445 21.929 -1.520 1.00 0.00 H ATOM 1316 HZ3 LYS A 163 11.278 22.213 -2.722 1.00 0.00 H ATOM 1317 H LYS A 163 11.350 16.019 -5.328 1.00 0.00 H ATOM 1318 N GLY A 164 9.633 16.475 -1.572 1.00 17.44 N ATOM 1319 CA GLY A 164 8.317 16.818 -1.069 1.00 17.43 C ATOM 1320 C GLY A 164 8.099 16.320 0.344 1.00 17.84 C ATOM 1321 O GLY A 164 9.052 16.180 1.125 1.00 17.83 O ATOM 1322 H GLY A 164 10.314 16.002 -0.945 1.00 0.00 H ATOM 1323 N GLU A 165 6.834 16.044 0.658 1.00 17.56 N ATOM 1324 CA GLU A 165 6.411 15.622 1.980 1.00 17.30 C ATOM 1325 C GLU A 165 5.021 14.962 1.843 1.00 17.30 C ATOM 1326 O GLU A 165 4.311 15.203 0.865 1.00 17.55 O ATOM 1327 CB GLU A 165 6.399 16.847 2.920 1.00 17.29 C ATOM 1328 CG GLU A 165 6.028 16.594 4.393 1.00 17.27 C ATOM 1329 CD GLU A 165 6.805 15.448 5.023 1.00 19.13 C ATOM 1330 OE1 GLU A 165 7.844 15.711 5.662 1.00 19.64 O ATOM 1331 OE2 GLU A 165 6.388 14.274 4.875 1.00 20.41 O ATOM 1332 H GLU A 165 6.111 16.136 -0.084 1.00 0.00 H ATOM 1333 N TYR A 166 4.644 14.120 2.805 1.00 17.38 N ATOM 1334 CA TYR A 166 3.323 13.459 2.821 1.00 17.05 C ATOM 1335 C TYR A 166 2.754 13.345 4.232 1.00 17.27 C ATOM 1336 O TYR A 166 1.575 13.096 4.391 1.00 17.40 O ATOM 1337 CB TYR A 166 3.381 12.063 2.169 1.00 16.52 C ATOM 1338 CG TYR A 166 4.266 11.079 2.913 1.00 15.62 C ATOM 1339 CD1 TYR A 166 3.757 10.307 3.958 1.00 14.97 C ATOM 1340 CD2 TYR A 166 5.610 10.938 2.591 1.00 14.41 C ATOM 1341 CE1 TYR A 166 4.554 9.421 4.657 1.00 13.55 C ATOM 1342 CE2 TYR A 166 6.419 10.049 3.286 1.00 14.33 C ATOM 1343 CZ TYR A 166 5.879 9.293 4.320 1.00 13.74 C ATOM 1344 OH TYR A 166 6.665 8.399 5.019 1.00 13.90 O ATOM 1345 HH TYR A 166 6.118 7.953 5.713 1.00 0.00 H ATOM 1346 H TYR A 166 5.309 13.919 3.579 1.00 0.00 H ATOM 1347 N ARG A 167 3.595 13.509 5.251 1.00 18.06 N ATOM 1348 CA ARG A 167 3.154 13.412 6.660 1.00 18.82 C ATOM 1349 C ARG A 167 2.490 14.692 7.152 1.00 19.82 C ATOM 1350 O ARG A 167 3.078 15.776 7.058 1.00 20.22 O ATOM 1351 CB ARG A 167 4.335 13.065 7.564 1.00 18.17 C ATOM 1352 CG ARG A 167 4.901 11.683 7.282 1.00 17.36 C ATOM 1353 CD ARG A 167 6.278 11.518 7.845 1.00 14.36 C ATOM 1354 NE ARG A 167 7.189 12.497 7.270 1.00 13.29 N ATOM 1355 CZ ARG A 167 8.461 12.625 7.612 1.00 11.71 C ATOM 1356 NH1 ARG A 167 8.978 11.826 8.532 1.00 10.19 N ATOM 1357 NH2 ARG A 167 9.210 13.547 7.024 1.00 11.51 N ATOM 1358 HE ARG A 167 6.815 13.139 6.542 1.00 0.00 H ATOM 1359 HH12 ARG A 167 9.977 11.924 8.803 1.00 0.00 H ATOM 1360 HH11 ARG A 167 8.385 11.101 8.983 1.00 0.00 H ATOM 1361 HH22 ARG A 167 10.210 13.651 7.289 1.00 0.00 H ATOM 1362 HH21 ARG A 167 8.798 14.166 6.297 1.00 0.00 H ATOM 1363 H ARG A 167 4.595 13.712 5.050 1.00 0.00 H ATOM 1364 N THR A 168 1.282 14.570 7.695 1.00 20.65 N ATOM 1365 CA THR A 168 0.534 15.751 8.136 1.00 21.76 C ATOM 1366 C THR A 168 0.467 15.896 9.666 1.00 23.05 C ATOM 1367 O THR A 168 -0.092 16.876 10.168 1.00 23.44 O ATOM 1368 CB THR A 168 -0.902 15.765 7.554 1.00 21.73 C ATOM 1369 OG1 THR A 168 -1.626 14.623 8.035 1.00 21.31 O ATOM 1370 CG2 THR A 168 -0.878 15.726 6.032 1.00 20.99 C ATOM 1371 HG1 THR A 168 -1.162 13.796 7.750 1.00 0.00 H ATOM 1372 H THR A 168 0.863 13.625 7.808 1.00 0.00 H ATOM 1373 N HIS A 169 1.015 14.916 10.395 1.00 24.08 N ATOM 1374 CA HIS A 169 1.042 14.939 11.857 1.00 25.24 C ATOM 1375 C HIS A 169 2.474 15.159 12.357 1.00 26.19 C ATOM 1376 O HIS A 169 3.369 14.338 12.086 1.00 26.18 O ATOM 1377 CB HIS A 169 0.482 13.638 12.445 1.00 25.22 C ATOM 1378 CG HIS A 169 -0.944 13.354 12.075 1.00 26.02 C ATOM 1379 ND1 HIS A 169 -1.997 13.592 12.931 1.00 27.96 N ATOM 1380 CD2 HIS A 169 -1.488 12.817 10.957 1.00 27.21 C ATOM 1381 CE1 HIS A 169 -3.129 13.225 12.355 1.00 28.13 C ATOM 1382 NE2 HIS A 169 -2.847 12.746 11.157 1.00 28.20 N ATOM 1383 H HIS A 169 1.439 14.105 9.901 1.00 0.00 H ATOM 1384 N GLN A 170 2.675 16.253 13.103 1.00 27.13 N ATOM 1385 CA GLN A 170 4.011 16.713 13.542 1.00 27.74 C ATOM 1386 C GLN A 170 4.812 15.656 14.322 1.00 28.14 C ATOM 1387 O GLN A 170 6.024 15.492 14.097 1.00 27.97 O ATOM 1388 CB GLN A 170 3.895 18.038 14.333 1.00 28.03 C ATOM 1389 CG GLN A 170 5.210 18.625 14.934 1.00 28.10 C ATOM 1390 CD GLN A 170 6.308 18.855 13.896 1.00 28.12 C ATOM 1391 OE1 GLN A 170 6.049 19.384 12.810 1.00 29.03 O ATOM 1392 NE2 GLN A 170 7.539 18.451 14.225 1.00 26.48 N ATOM 1393 HE22 GLN A 170 7.711 18.010 15.151 1.00 0.00 H ATOM 1394 HE21 GLN A 170 8.324 18.578 13.555 1.00 0.00 H ATOM 1395 H GLN A 170 1.845 16.811 13.390 1.00 0.00 H ATOM 1396 N GLU A 171 4.136 14.931 15.217 1.00 28.56 N ATOM 1397 CA GLU A 171 4.782 13.829 15.945 1.00 29.03 C ATOM 1398 C GLU A 171 5.332 12.749 14.999 1.00 28.23 C ATOM 1399 O GLU A 171 6.359 12.137 15.297 1.00 28.23 O ATOM 1400 CB GLU A 171 3.873 13.237 17.044 1.00 29.66 C ATOM 1401 CG GLU A 171 2.598 12.523 16.552 1.00 33.13 C ATOM 1402 CD GLU A 171 1.429 13.477 16.240 1.00 36.45 C ATOM 1403 OE1 GLU A 171 1.662 14.677 15.924 1.00 37.13 O ATOM 1404 OE2 GLU A 171 0.267 13.006 16.306 1.00 36.59 O ATOM 1405 H GLU A 171 3.136 15.150 15.402 1.00 0.00 H ATOM 1406 N ASP A 172 4.684 12.545 13.850 1.00 27.23 N ATOM 1407 CA ASP A 172 5.239 11.634 12.847 1.00 26.42 C ATOM 1408 C ASP A 172 6.560 12.154 12.267 1.00 26.16 C ATOM 1409 O ASP A 172 7.354 11.365 11.749 1.00 25.78 O ATOM 1410 CB ASP A 172 4.237 11.329 11.714 1.00 26.18 C ATOM 1411 CG ASP A 172 3.067 10.436 12.159 1.00 25.04 C ATOM 1412 OD1 ASP A 172 3.261 9.565 13.038 1.00 21.20 O ATOM 1413 OD2 ASP A 172 1.947 10.610 11.604 1.00 23.96 O ATOM 1414 H ASP A 172 3.784 13.033 13.667 1.00 0.00 H ATOM 1415 N ILE A 173 6.785 13.472 12.353 1.00 26.26 N ATOM 1416 CA ILE A 173 8.014 14.121 11.823 1.00 25.99 C ATOM 1417 C ILE A 173 9.121 14.294 12.887 1.00 26.06 C ATOM 1418 O ILE A 173 10.238 13.787 12.730 1.00 25.51 O ATOM 1419 CB ILE A 173 7.719 15.484 11.142 1.00 25.69 C ATOM 1420 CG1 ILE A 173 6.695 15.310 10.017 1.00 25.11 C ATOM 1421 CG2 ILE A 173 9.018 16.107 10.604 1.00 25.50 C ATOM 1422 CD1 ILE A 173 6.190 16.607 9.385 1.00 23.62 C ATOM 1423 H ILE A 173 6.067 14.069 12.811 1.00 0.00 H TER 1424 ILE A 173 HETATM 1425 O HOH 1 -6.732 -19.780 4.583 1.00 2.00 O HETATM 1426 O HOH 2 7.835 -3.247 -12.025 1.00 2.00 O HETATM 1427 O HOH 3 10.059 -5.273 -14.251 1.00 3.64 O HETATM 1428 O HOH 4 7.122 -3.407 -0.070 1.00 10.44 O HETATM 1429 O HOH 5 8.129 9.467 9.584 1.00 10.34 O HETATM 1430 O HOH 6 -5.528 -7.106 -14.180 1.00 7.56 O HETATM 1431 O HOH 7 -10.232 3.799 -1.910 1.00 5.82 O HETATM 1432 O HOH 8 14.054 -2.552 6.983 1.00 2.00 O HETATM 1433 O HOH 9 -5.401 6.411 14.187 1.00 19.46 O HETATM 1434 O HOH 10 5.707 -2.278 -8.709 1.00 6.27 O HETATM 1435 C1 BDP A 11 10.302 -11.961 8.071 1.00 0.19 C HETATM 1436 C2 BDP A 11 10.509 -10.610 7.407 1.00 0.13 C HETATM 1437 C3 BDP A 11 10.584 -10.753 5.886 1.00 0.12 C HETATM 1438 C4 BDP A 11 11.581 -11.826 5.449 1.00 0.12 C HETATM 1439 C5 BDP A 11 11.437 -13.098 6.288 1.00 0.14 C HETATM 1440 C6 BDP A 11 12.603 -14.008 5.988 1.00 0.07 C HETATM 1441 O6A BDP A 11 13.637 -13.881 6.698 1.00 -0.57 O HETATM 1442 O6B BDP A 11 12.485 -14.855 5.054 1.00 -0.57 O HETATM 1443 O5 BDP A 11 11.382 -12.818 7.697 1.00 -0.33 O HETATM 1444 H BDP A 11 10.504 -13.604 6.000 1.00 0.08 H HETATM 1445 O4 BDP A 11 11.333 -12.129 4.064 1.00 -0.38 O HETATM 1446 H BDP A 11 11.960 -12.777 3.765 1.00 0.21 H HETATM 1447 H BDP A 11 12.604 -11.438 5.564 1.00 0.07 H HETATM 1448 O3 BDP A 11 10.936 -9.512 5.252 1.00 -0.39 O HETATM 1449 H BDP A 11 10.903 -9.619 4.309 1.00 0.21 H HETATM 1450 H BDP A 11 9.586 -11.050 5.532 1.00 0.06 H HETATM 1451 O2 BDP A 11 9.414 -9.783 7.782 1.00 -0.38 O HETATM 1452 H BDP A 11 8.605 -10.170 7.470 1.00 0.21 H HETATM 1453 H BDP A 11 11.447 -10.164 7.768 1.00 0.07 H HETATM 1454 O1 BDP A 11 10.284 -11.700 9.484 1.00 -0.34 O HETATM 1455 C3 BDP A 11 9.985 -12.788 10.350 1.00 0.12 C HETATM 1456 C2 BDP A 11 8.944 -12.341 11.371 1.00 0.12 C HETATM 1457 C1 BDP A 11 8.733 -13.420 12.422 1.00 0.19 C HETATM 1458 O5 BDP A 11 9.988 -13.650 13.076 1.00 -0.34 O HETATM 1459 C5 BDP A 11 10.953 -14.225 12.178 1.00 0.11 C HETATM 1460 C4 BDP A 11 11.270 -13.249 11.035 1.00 0.11 C HETATM 1461 O4 BDP A 11 12.095 -13.871 10.035 1.00 -0.39 O HETATM 1462 H BDP A 11 12.275 -13.247 9.342 1.00 0.21 H HETATM 1463 H BDP A 11 11.796 -12.377 11.451 1.00 0.06 H HETATM 1464 C6 BDP A 11 12.228 -14.665 12.910 1.00 0.07 C HETATM 1465 O6 BDP A 11 12.043 -14.620 14.331 1.00 -0.39 O HETATM 1466 H BDP A 11 11.830 -13.732 14.594 1.00 0.21 H HETATM 1467 H BDP A 11 13.053 -13.992 12.633 1.00 0.06 H HETATM 1468 H BDP A 11 12.478 -15.694 12.612 1.00 0.06 H HETATM 1469 H BDP A 11 10.501 -15.124 11.735 1.00 0.06 H HETATM 1470 O4 BDP A 11 7.713 -12.983 13.321 1.00 -0.34 O HETATM 1471 C4 BDP A 11 7.093 -14.025 14.105 1.00 0.13 C HETATM 1472 C3 BDP A 11 7.502 -13.818 15.566 1.00 0.12 C HETATM 1473 C2 BDP A 11 6.666 -14.594 16.575 1.00 0.13 C HETATM 1474 C1 BDP A 11 5.153 -14.537 16.293 1.00 0.19 C HETATM 1475 O5 BDP A 11 4.865 -14.786 14.909 1.00 -0.33 O HETATM 1476 C5 BDP A 11 5.558 -13.970 13.957 1.00 0.14 C HETATM 1477 C6 BDP A 11 5.116 -14.415 12.591 1.00 0.07 C HETATM 1478 O6A BDP A 11 5.471 -15.537 12.160 1.00 -0.57 O HETATM 1479 O6B BDP A 11 4.394 -13.628 11.936 1.00 -0.57 O HETATM 1480 H BDP A 11 5.249 -12.925 14.106 1.00 0.08 H HETATM 1481 O1 BDP A 11 4.529 -15.620 17.001 1.00 -0.34 O HETATM 1482 C3 BDP A 11 3.200 -15.425 17.489 1.00 0.12 C HETATM 1483 C2 BDP A 11 3.049 -16.301 18.735 1.00 0.09 C HETATM 1484 C1 BDP A 11 1.657 -16.071 19.314 1.00 0.07 C HETATM 1485 O5 BDP A 11 0.688 -16.549 18.379 1.00 -0.37 O HETATM 1486 C5 BDP A 11 0.755 -16.065 17.019 1.00 0.11 C HETATM 1487 C4 BDP A 11 2.166 -15.877 16.449 1.00 0.11 C HETATM 1488 O4 BDP A 11 2.092 -14.943 15.360 1.00 -0.39 O HETATM 1489 H BDP A 11 2.959 -14.815 14.995 1.00 0.21 H HETATM 1490 H BDP A 11 2.502 -16.847 16.053 1.00 0.06 H HETATM 1491 C6 BDP A 11 0.003 -17.035 16.117 1.00 0.07 C HETATM 1492 O6 BDP A 11 -1.368 -17.021 16.509 1.00 -0.39 O HETATM 1493 H BDP A 11 -1.715 -16.142 16.411 1.00 0.21 H HETATM 1494 H BDP A 11 0.415 -18.049 16.232 1.00 0.06 H HETATM 1495 H BDP A 11 0.095 -16.718 15.068 1.00 0.06 H HETATM 1496 H BDP A 11 0.252 -15.087 16.991 1.00 0.06 H HETATM 1497 H BDP A 11 1.502 -14.996 19.491 1.00 0.06 H HETATM 1498 H BDP A 11 1.556 -16.617 20.264 1.00 0.06 H HETATM 1499 N2 BDP A 11 4.008 -15.825 19.739 1.00 -0.28 N HETATM 1500 C7 BDP A 11 5.081 -16.490 20.195 1.00 0.17 C HETATM 1501 C8 BDP A 11 5.860 -15.741 21.230 1.00 0.03 C HETATM 1502 H BDP A 11 6.719 -16.348 21.553 1.00 0.05 H HETATM 1503 H BDP A 11 5.214 -15.531 22.095 1.00 0.05 H HETATM 1504 H BDP A 11 6.220 -14.793 20.803 1.00 0.05 H HETATM 1505 O7 BDP A 11 5.422 -17.608 19.830 1.00 -0.40 O HETATM 1506 H BDP A 11 3.846 -14.915 20.121 1.00 0.19 H HETATM 1507 H BDP A 11 3.212 -17.362 18.495 1.00 0.06 H HETATM 1508 H BDP A 11 3.040 -14.366 17.739 1.00 0.06 H HETATM 1509 H BDP A 11 4.746 -13.564 16.606 1.00 0.09 H HETATM 1510 O2 BDP A 11 6.986 -14.071 17.868 1.00 -0.38 O HETATM 1511 H BDP A 11 7.913 -14.190 18.036 1.00 0.21 H HETATM 1512 H BDP A 11 6.969 -15.651 16.537 1.00 0.07 H HETATM 1513 O3 BDP A 11 8.890 -14.119 15.765 1.00 -0.39 O HETATM 1514 H BDP A 11 9.418 -13.549 15.219 1.00 0.21 H HETATM 1515 H BDP A 11 7.358 -12.749 15.784 1.00 0.06 H HETATM 1516 H BDP A 11 7.450 -15.006 13.760 1.00 0.07 H HETATM 1517 H BDP A 11 8.405 -14.352 11.939 1.00 0.09 H HETATM 1518 N2 BDP A 11 7.719 -12.317 10.602 1.00 -0.28 N HETATM 1519 C7 BDP A 11 6.881 -11.287 10.584 1.00 0.17 C HETATM 1520 C8 BDP A 11 5.689 -11.480 9.698 1.00 0.03 C HETATM 1521 H BDP A 11 5.051 -10.585 9.742 1.00 0.05 H HETATM 1522 H BDP A 11 5.117 -12.355 10.039 1.00 0.05 H HETATM 1523 H BDP A 11 6.024 -11.641 8.663 1.00 0.05 H HETATM 1524 O7 BDP A 11 7.051 -10.264 11.221 1.00 -0.40 O HETATM 1525 H BDP A 11 7.490 -13.121 10.053 1.00 0.19 H HETATM 1526 H BDP A 11 9.194 -11.370 11.824 1.00 0.06 H HETATM 1527 H BDP A 11 9.574 -13.622 9.762 1.00 0.06 H HETATM 1528 H BDP A 11 9.348 -12.411 7.757 1.00 0.09 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 75 74 1037 CONECT 324 323 944 CONECT 547 546 739 CONECT 739 547 738 CONECT 944 324 943 CONECT 1037 75 1036 CONECT 1435 1436 1443 1454 1528 CONECT 1436 1435 1437 1451 1453 CONECT 1437 1436 1438 1448 1450 CONECT 1438 1437 1439 1445 1447 CONECT 1439 1438 1440 1443 1444 CONECT 1440 1439 1441 1442 CONECT 1441 1440 CONECT 1442 1440 CONECT 1443 1435 1439 CONECT 1444 1439 CONECT 1445 1438 1446 CONECT 1446 1445 CONECT 1447 1438 CONECT 1448 1437 1449 CONECT 1449 1448 CONECT 1450 1437 CONECT 1451 1436 1452 CONECT 1452 1451 CONECT 1453 1436 CONECT 1454 1435 1455 CONECT 1455 1454 1456 1460 1527 CONECT 1456 1455 1457 1518 1526 CONECT 1457 1456 1458 1470 1517 CONECT 1458 1457 1459 CONECT 1459 1458 1460 1464 1469 CONECT 1460 1455 1459 1461 1463 CONECT 1461 1460 1462 CONECT 1462 1461 CONECT 1463 1460 CONECT 1464 1459 1465 1467 1468 CONECT 1465 1464 1466 CONECT 1466 1465 CONECT 1467 1464 CONECT 1468 1464 CONECT 1469 1459 CONECT 1470 1457 1471 CONECT 1471 1470 1472 1476 1516 CONECT 1472 1471 1473 1513 1515 CONECT 1473 1472 1474 1510 1512 CONECT 1474 1473 1475 1481 1509 CONECT 1475 1474 1476 CONECT 1476 1471 1475 1477 1480 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1476 CONECT 1481 1474 1482 CONECT 1482 1481 1483 1487 1508 CONECT 1483 1482 1484 1499 1507 CONECT 1484 1483 1485 1497 1498 CONECT 1485 1484 1486 CONECT 1486 1485 1487 1491 1496 CONECT 1487 1482 1486 1488 1490 CONECT 1488 1487 1489 CONECT 1489 1488 CONECT 1490 1487 CONECT 1491 1486 1492 1494 1495 CONECT 1492 1491 1493 CONECT 1493 1492 CONECT 1494 1491 CONECT 1495 1491 CONECT 1496 1486 CONECT 1497 1484 CONECT 1498 1484 CONECT 1499 1483 1500 1506 CONECT 1500 1499 1501 1505 CONECT 1501 1500 1502 1503 1504 CONECT 1502 1501 CONECT 1503 1501 CONECT 1504 1501 CONECT 1505 1500 CONECT 1506 1499 CONECT 1507 1483 CONECT 1508 1482 CONECT 1509 1474 CONECT 1510 1473 1511 CONECT 1511 1510 CONECT 1512 1473 CONECT 1513 1472 1514 CONECT 1514 1513 CONECT 1515 1472 CONECT 1516 1471 CONECT 1517 1457 CONECT 1518 1456 1519 1525 CONECT 1519 1518 1520 1524 CONECT 1520 1519 1521 1522 1523 CONECT 1521 1520 CONECT 1522 1520 CONECT 1523 1520 CONECT 1524 1519 CONECT 1525 1518 CONECT 1526 1456 CONECT 1527 1455 CONECT 1528 1435 MASTER 0 0 0 0 0 0 0 0 1527 1 104 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4mrd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4mre
RCSB PDB
PDBbind
150aa, >4MRE_1|Chain... *
4mrf
RCSB PDB
PDBbind
150aa, >4MRF_1|Chain... at 100%
4mrg
RCSB PDB
PDBbind
150aa, >4MRG_1|Chain... at 100%
4mrh
RCSB PDB
PDBbind
150aa, >4MRH_1|Chain... at 100%
4np2
RCSB PDB
PDBbind
150aa, >4NP2_1|Chain... at 100%
4np3
RCSB PDB
PDBbind
150aa, >4NP3_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4mrd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
murine cd44 hyaluronan binding domain
Ligand Name
NAG-BDP
EC.Number
E.C.-.-.-.-
Resolution
2.55(Å)
Affinity (Kd/Ki/IC50)
Kd=428uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 2714-2725
Ligand Properties
Formula
C
2
8
H
4
4
N
2
O
2
2
Molecular Weight
760.649
Exact Mass
760.239
No. of atoms
96
No. of bonds
99
Polar Surface Area
379.48
LOGP Value
-5.14 (
Computed with XLOGP3
)
-7.81 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 4
Canonical SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@H](CO[C@@H]([C@H]2O)CO)NC(=O)C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)NC(=O)C
InChI String
InChI=1S/C28H44N2O22/c1-6(33)29-8-5-46-9(3-31)12(35)19(8)48-28-18(41)16(39)21(23(52-28)25(44)45)50-26-11(30-7(2)34)20(13(36)10(4-32)47-26)49-27-17(40)14(37)15(38)22(51-27)24(42)43/h8-23,26-28,31-32,35-41H,3-5H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t8-,9+,10+,11+,12+,13+,14-,15-,16+,17+,18+,19+,20+,21-,22-,23-,26-,27+,28+/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P15379
Entrez Gene ID
NCBI Entrez Gene ID:
12505
ASD
Information of known allosteric effects of PDB entries
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